#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf6 s LYS 2 N 0.00 4.50 0.02 3.17 2.20 -1.26 -0.85 119.74 127.51 1rf6 s LYS 2 Ca 0.00 1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 56.86 1rf6 s LYS 2 Cb 0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1rf6 s LYS 2 CO 0.00 -0.10 0.24 -0.51 -0.36 0.00 0.00 175.35 174.62 1rf6 s LEU 3 N 1.24 4.36 0.34 5.43 1.02 -0.45 -4.97 118.68 125.65 1rf6 s LEU 3 Ca 0.48 0.45 -0.28 0.00 0.02 0.00 0.00 54.13 54.79 1rf6 s LEU 3 Cb -0.20 -2.73 -0.10 0.00 0.02 0.00 0.00 46.19 43.18 1rf6 s LEU 3 CO 0.23 0.23 1.28 -0.54 0.02 0.00 0.00 176.35 177.58 1rf6 s LYS 4 N -1.98 4.33 0.31 1.70 1.02 -1.26 -4.53 119.74 119.33 1rf6 s LYS 4 Ca 0.29 2.16 0.03 0.00 0.02 0.00 0.00 55.97 58.47 1rf6 s LYS 4 Cb -0.13 -3.03 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1rf6 s LYS 4 CO 0.19 -0.19 0.09 -0.08 -0.92 0.00 0.00 175.35 174.44 1rf6 s THR 5 N -1.17 0.80 -1.53 2.17 -1.32 -1.26 -3.59 115.64 109.74 1rf6 s THR 5 Ca 0.50 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.92 1rf6 s THR 5 Cb -0.38 -2.66 0.05 0.00 -1.51 0.00 0.00 72.50 68.00 1rf6 s THR 5 CO 0.51 0.00 0.46 -3.20 -2.21 0.00 0.00 174.62 170.17 1rf6 n ASN 6 N -0.68 -0.99 -4.77 8.08 4.05 -0.20 -4.90 115.26 115.85 1rf6 n ASN 6 Ca -0.01 -1.06 -0.40 0.00 0.45 0.00 0.00 54.58 53.56 1rf6 n ASN 6 Cb 0.66 -2.68 -0.01 0.00 1.23 0.00 0.00 39.78 38.98 1rf6 n ASN 6 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1rf6 s ILE 7 N -3.82 2.77 -1.04 -1.44 1.10 -0.71 -4.93 121.20 113.13 1rf6 s ILE 7 Ca 0.24 0.72 0.17 0.00 -0.51 0.00 0.00 60.65 61.26 1rf6 s ILE 7 Cb -0.13 -3.43 -0.13 0.00 0.15 0.00 0.00 42.46 38.91 1rf6 s ILE 7 CO 0.92 0.13 0.77 0.54 -2.11 0.00 0.00 174.94 175.20 1rf6 n ARG 8 N 0.41 1.48 -3.61 3.50 5.12 -1.26 -4.72 116.66 117.58 1rf6 n ARG 8 Ca 0.02 -0.25 -0.06 0.00 -1.93 0.00 0.00 57.85 55.63 1rf6 n ARG 8 Cb 0.43 -1.30 -0.05 0.00 -1.16 0.00 0.00 32.46 30.38 1rf6 n ARG 8 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1rf6 s HIS 9 N -2.43 -0.21 -0.12 -1.55 -3.43 -1.25 -4.44 115.29 101.85 1rf6 s HIS 9 Ca 0.09 0.37 -0.03 0.00 -0.80 0.00 0.00 55.06 54.69 1rf6 s HIS 9 Cb 0.13 0.47 0.04 0.00 -1.43 0.00 0.00 32.58 31.79 1rf6 s HIS 9 CO 0.62 -0.19 0.05 -0.51 -2.00 0.00 0.00 174.74 172.71 1rf6 s LEU 10 N -0.99 0.56 -0.00 5.38 1.43 -1.23 -4.61 118.68 119.22 1rf6 s LEU 10 Ca 0.03 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1rf6 s LEU 10 Cb -0.01 -0.36 -0.00 0.00 0.03 0.00 0.00 46.19 45.85 1rf6 s LEU 10 CO -0.03 -0.27 -0.02 -1.00 0.23 0.00 0.00 176.35 175.25 1rf6 s HIS 11 N 2.03 0.19 0.00 0.29 3.76 -0.97 -1.37 115.29 119.21 1rf6 s HIS 11 Ca 0.03 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1rf6 s HIS 11 Cb -0.14 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.42 1rf6 s HIS 11 CO -0.06 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.23 1rf6 n GLY 12 N 3.06 2.72 3.70 -2.22 0.00 -1.21 -4.47 105.19 106.77 1rf6 n GLY 12 Ca -0.13 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1rf6 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rf6 s ILE 13 N -2.00 4.79 -0.03 -0.61 1.01 -1.26 -1.77 121.20 121.33 1rf6 s ILE 13 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1rf6 s ILE 13 Cb 0.00 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.38 1rf6 s ILE 13 CO 0.00 0.54 -0.07 -0.63 0.00 0.00 0.00 174.94 174.78 1rf6 s ILE 14 N -0.30 0.67 -0.61 2.92 -1.09 -0.04 -4.98 121.20 117.78 1rf6 s ILE 14 Ca 0.08 -0.26 -0.05 0.00 -2.23 0.00 0.00 60.65 58.19 1rf6 s ILE 14 Cb -0.12 -0.63 0.16 0.00 -1.58 0.00 0.00 42.46 40.28 1rf6 s ILE 14 CO 0.02 0.23 0.45 -0.13 -1.23 0.00 0.00 174.94 174.28 1rf6 s ARG 15 N 0.48 2.64 0.72 2.79 0.52 -1.26 -1.84 118.95 122.99 1rf6 s ARG 15 Ca -0.07 -2.37 -0.16 0.00 -0.52 0.00 0.00 55.73 52.61 1rf6 s ARG 15 Cb -0.11 -3.83 0.03 0.00 0.52 0.00 0.00 34.95 31.56 1rf6 s ARG 15 CO 0.01 -1.18 1.22 1.33 0.02 0.00 0.00 175.30 176.70 1rf6 n VAL 16 N 3.82 3.56 -0.80 3.52 0.24 -1.26 -4.98 118.33 122.43 1rf6 n VAL 16 Ca 0.06 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.34 61.70 1rf6 n VAL 16 Cb 0.40 -1.33 0.24 0.00 -1.47 0.00 0.00 33.84 31.67 1rf6 n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1rf6 s PRO 17 N -3.66 -0.98 0.79 7.34 0.04 -1.26 -4.55 135.00 132.72 1rf6 s PRO 17 Ca 0.78 0.43 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 1rf6 s PRO 17 Cb -0.34 -1.58 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1rf6 s PRO 17 CO 0.45 -3.66 1.08 0.41 0.04 0.00 0.00 177.00 175.32 1rf6 n GLY 18 N 0.01 -0.28 3.68 0.56 0.00 -1.25 -1.48 105.19 106.42 1rf6 n GLY 18 Ca 0.07 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1rf6 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf6 s ASP 19 N -1.97 6.58 0.08 1.61 -1.08 -0.14 -4.23 116.67 117.53 1rf6 s ASP 19 Ca 0.72 2.48 -0.23 0.00 -0.52 0.00 0.00 52.55 55.00 1rf6 s ASP 19 Cb -0.30 -2.55 -0.15 0.00 -1.46 0.00 0.00 42.92 38.46 1rf6 s ASP 19 CO 0.52 -0.92 1.68 0.50 0.52 0.00 0.00 175.17 177.46 1rf6 h LYS 20 N 8.84 0.03 -0.35 4.34 3.64 -1.91 -0.85 116.57 130.31 1rf6 h LYS 20 Ca -0.43 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1rf6 h LYS 20 Cb 1.20 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1rf6 h LYS 20 CO 0.94 0.09 0.16 0.77 -2.27 0.00 0.00 179.45 179.13 1rf6 h SER 21 N -0.04 0.22 -0.39 4.20 0.02 -2.00 -1.03 113.55 114.54 1rf6 h SER 21 Ca 0.01 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1rf6 h SER 21 Cb 0.07 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1rf6 h SER 21 CO -0.00 0.17 -0.22 0.40 -1.14 0.00 0.00 176.83 176.04 1rf6 h ILE 22 N 0.34 1.27 -0.43 3.27 2.04 -1.96 -2.44 117.51 119.60 1rf6 h ILE 22 Ca 0.15 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1rf6 h ILE 22 Cb 0.08 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1rf6 h ILE 22 CO -0.12 0.46 0.18 0.28 0.00 0.00 0.00 178.15 178.95 1rf6 h SER 23 N 0.77 0.59 -0.07 1.72 0.02 -0.88 0.76 113.55 116.46 1rf6 h SER 23 Ca 0.10 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1rf6 h SER 23 Cb 0.76 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1rf6 h SER 23 CO 0.06 0.60 -0.10 0.45 -1.14 0.00 0.00 176.83 176.70 1rf6 h HIS 24 N 0.56 -0.25 -0.17 3.45 3.86 -1.13 -2.35 115.15 119.12 1rf6 h HIS 24 Ca 0.14 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 1rf6 h HIS 24 Cb 0.19 0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1rf6 h HIS 24 CO 0.00 -0.15 -0.04 0.00 0.86 0.00 0.00 177.93 178.60 1rf6 h ARG 25 N -0.14 0.25 -0.54 2.45 3.08 -1.13 -2.38 114.38 115.98 1rf6 h ARG 25 Ca 0.06 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1rf6 h ARG 25 Cb 0.22 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1rf6 h ARG 25 CO -0.15 0.31 0.26 0.66 -1.07 0.00 0.00 179.97 179.98 1rf6 h SER 26 N 0.25 0.68 -0.08 7.04 4.64 -0.30 0.20 113.55 125.97 1rf6 h SER 26 Ca 0.06 -0.06 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 1rf6 h SER 26 Cb 0.23 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1rf6 h SER 26 CO 0.01 0.57 -0.67 0.40 -0.87 0.00 0.00 176.83 176.28 1rf6 h ILE 27 N 0.76 1.34 0.35 0.95 1.08 -1.28 -0.22 117.51 120.49 1rf6 h ILE 27 Ca 0.19 -1.97 -0.02 0.00 -0.39 0.00 0.00 64.86 62.68 1rf6 h ILE 27 Cb 0.07 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1rf6 h ILE 27 CO -0.03 0.60 -0.17 0.40 -0.69 0.00 0.00 178.15 178.27 1rf6 h ILE 28 N 0.22 0.67 -0.47 -0.67 2.04 -1.05 0.05 117.51 118.31 1rf6 h ILE 28 Ca -0.06 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1rf6 h ILE 28 Cb 1.32 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1rf6 h ILE 28 CO 0.14 0.05 0.14 -0.26 0.00 0.00 0.00 178.15 178.22 1rf6 h PHE 29 N -0.61 0.69 -0.66 1.37 -1.00 -0.70 -1.28 116.94 114.75 1rf6 h PHE 29 Ca -0.05 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 1rf6 h PHE 29 Cb 0.45 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 1rf6 h PHE 29 CO -0.02 0.57 0.18 0.78 -1.61 0.00 0.00 178.31 178.21 1rf6 h GLY 30 N 0.86 1.11 1.39 -1.45 0.00 -0.81 -1.55 103.07 102.63 1rf6 h GLY 30 Ca 0.16 -0.67 -0.21 0.00 0.00 0.00 0.00 47.33 46.61 1rf6 h GLY 30 CO -0.01 0.62 -0.81 1.76 0.00 0.00 0.00 176.54 178.10 1rf6 h SER 31 N 0.99 0.71 1.41 0.19 0.02 -0.49 -3.30 113.55 113.08 1rf6 h SER 31 Ca 0.21 -0.49 -0.08 0.00 -0.84 0.00 0.00 61.79 60.59 1rf6 h SER 31 Cb 0.33 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1rf6 h SER 31 CO -0.00 1.27 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.50 1rf6 h LEU 32 N 0.38 0.00-10.48 5.07 3.38 -1.12 -0.92 115.31 111.62 1rf6 h LEU 32 Ca -0.06 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.44 1rf6 h LEU 32 Cb 1.43 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.29 1rf6 h LEU 32 CO 0.15 0.39 0.33 0.00 0.09 0.00 0.00 178.44 179.40 1rf6 s ALA 33 N -3.15 2.10 -0.13 1.53 0.00 -0.59 -2.72 121.76 118.79 1rf6 s ALA 33 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 1rf6 s ALA 33 Cb 0.08 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1rf6 s ALA 33 CO 0.71 -1.96 0.12 -1.21 0.00 0.00 0.00 175.76 173.42 1rf6 s GLU 34 N -5.27 3.52 0.00 0.00 2.02 -0.23 -2.59 118.70 116.16 1rf6 s GLU 34 Ca 0.62 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1rf6 s GLU 34 Cb -0.14 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1rf6 s GLU 34 CO 0.53 0.67 0.00 0.41 0.02 0.00 0.00 175.26 176.89 1rf6 n GLY 35 N 2.32 -2.52 3.88 -1.39 0.00 -1.26 -1.23 105.19 104.98 1rf6 n GLY 35 Ca -0.19 -2.08 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 1rf6 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf6 s GLU 36 N -0.32 3.71 -0.04 1.61 2.12 -1.26 -0.87 118.70 123.64 1rf6 s GLU 36 Ca 0.00 0.09 0.03 0.00 0.36 0.00 0.00 54.97 55.45 1rf6 s GLU 36 Cb 0.00 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1rf6 s GLU 36 CO 0.00 0.55 -0.12 0.99 -0.54 0.00 0.00 175.26 176.14 1rf6 s THR 37 N -1.44 1.09 -0.12 -1.70 2.01 -0.33 -3.20 115.64 111.95 1rf6 s THR 37 Ca 0.34 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1rf6 s THR 37 Cb -0.13 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1rf6 s THR 37 CO 0.19 0.33 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.68 1rf6 s LYS 38 N 0.31 3.04 -0.19 4.92 1.02 -0.34 -0.36 119.74 128.15 1rf6 s LYS 38 Ca -0.07 -0.87 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 1rf6 s LYS 38 Cb -0.12 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1rf6 s LYS 38 CO 0.02 0.10 -0.06 0.08 -0.92 0.00 0.00 175.35 174.57 1rf6 s VAL 39 N 0.54 3.37 0.02 3.17 1.01 0.68 0.17 120.40 129.36 1rf6 s VAL 39 Ca -0.14 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1rf6 s VAL 39 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1rf6 s VAL 39 CO 0.04 0.46 0.00 -0.31 0.00 0.00 0.00 175.10 175.30 1rf6 s TYR 40 N 1.04 3.06 -1.43 5.22 1.51 0.10 -1.83 117.35 125.03 1rf6 s TYR 40 Ca 0.00 0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.07 1rf6 s TYR 40 Cb -0.15 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1rf6 s TYR 40 CO -0.00 0.47 0.40 -0.25 -1.11 0.00 0.00 175.55 175.06 1rf6 n ASP 41 N 1.15 -5.06 -4.75 2.29 8.00 -1.26 -1.56 116.55 115.36 1rf6 n ASP 41 Ca -0.13 -0.21 -0.34 0.00 0.71 0.00 0.00 54.79 54.82 1rf6 n ASP 41 Cb 0.52 -4.15 0.05 0.00 -0.02 0.00 0.00 41.12 37.52 1rf6 n ASP 41 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rf6 s ILE 42 N -3.00 2.87 -0.06 0.53 2.07 -1.26 -3.97 121.20 118.38 1rf6 s ILE 42 Ca 0.25 0.44 -0.30 0.00 -1.41 0.00 0.00 60.65 59.63 1rf6 s ILE 42 Cb -0.12 -3.02 -0.02 0.00 0.13 0.00 0.00 42.46 39.44 1rf6 s ILE 42 CO 0.30 -0.21 1.02 -0.22 -1.91 0.00 0.00 174.94 173.92 1rf6 s LEU 43 N -4.71 4.29 -0.36 8.50 1.98 -1.26 -4.56 118.68 122.56 1rf6 s LEU 43 Ca 0.71 1.60 0.08 0.00 -2.89 0.00 0.00 54.13 53.64 1rf6 s LEU 43 Cb -0.25 -3.56 0.69 0.00 0.66 0.00 0.00 46.19 43.73 1rf6 s LEU 43 CO 0.40 -0.40 1.80 0.54 -1.89 0.00 0.00 176.35 176.80 1rf6 n ARG 44 N 4.63 3.03 -1.13 1.98 1.74 -1.26 -4.73 116.66 120.92 1rf6 n ARG 44 Ca 0.08 -3.07 -0.31 0.00 -0.77 0.00 0.00 57.85 53.78 1rf6 n ARG 44 Cb 0.49 -2.15 0.11 0.00 -1.02 0.00 0.00 32.46 29.89 1rf6 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1rf6 s GLY 45 N -1.32 1.67 0.37 -0.13 0.00 -1.26 -4.77 107.32 101.89 1rf6 s GLY 45 Ca 0.54 0.32 0.11 0.00 0.00 0.00 0.00 44.72 45.69 1rf6 s GLY 45 CO 0.11 0.69 1.87 0.83 0.00 0.00 0.00 173.10 176.60 1rf6 h GLU 46 N -1.32 0.60 -0.53 2.90 4.39 -0.87 -2.06 114.58 117.69 1rf6 h GLU 46 Ca -0.44 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 1rf6 h GLU 46 Cb 1.24 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1rf6 h GLU 46 CO 0.49 0.40 0.32 -0.44 -1.16 0.00 0.00 179.01 178.62 1rf6 h ASP 47 N 0.62 0.63 -0.10 1.42 3.45 -1.73 -0.11 116.42 120.59 1rf6 h ASP 47 Ca 0.44 -0.05 -0.11 0.00 0.43 0.00 0.00 57.03 57.75 1rf6 h ASP 47 Cb 0.81 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 1rf6 h ASP 47 CO -0.20 0.50 -0.27 0.58 -1.57 0.00 0.00 179.24 178.28 1rf6 h VAL 48 N 0.71 1.27 -0.42 -1.35 2.07 -1.62 -2.47 116.25 114.43 1rf6 h VAL 48 Ca 0.19 -1.33 -0.07 0.00 0.82 0.00 0.00 66.70 66.30 1rf6 h VAL 48 Cb -0.02 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1rf6 h VAL 48 CO -0.04 0.43 -0.03 -0.07 0.02 0.00 0.00 177.57 177.88 1rf6 h LEU 49 N 0.49 0.67 -0.65 2.57 3.38 -0.95 -1.57 115.31 119.25 1rf6 h LEU 49 Ca 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1rf6 h LEU 49 Cb 0.72 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1rf6 h LEU 49 CO 0.06 0.76 0.30 0.28 0.09 0.00 0.00 178.44 179.92 1rf6 h SER 50 N 0.65 0.87 -0.10 -0.43 0.02 -0.66 -1.30 113.55 112.59 1rf6 h SER 50 Ca 0.13 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1rf6 h SER 50 Cb 0.45 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1rf6 h SER 50 CO 0.02 0.77 0.05 0.74 -1.14 0.00 0.00 176.83 177.27 1rf6 h THR 51 N 0.90 1.09 -0.41 -2.27 2.02 -1.01 -1.54 112.91 111.70 1rf6 h THR 51 Ca 0.22 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.16 1rf6 h THR 51 Cb 0.15 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1rf6 h THR 51 CO -0.03 0.08 0.21 0.24 0.37 0.00 0.00 175.52 176.40 1rf6 h MET 52 N 0.07 0.41 -0.08 6.66 2.07 -1.08 -2.29 114.93 120.69 1rf6 h MET 52 Ca 0.04 -0.02 -0.09 0.00 -2.07 0.00 0.00 59.70 57.56 1rf6 h MET 52 Cb 0.09 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 1rf6 h MET 52 CO -0.01 0.27 -0.34 0.37 1.07 0.00 0.00 176.91 178.28 1rf6 h GLN 53 N 0.43 0.16 -0.25 1.72 5.75 -1.15 -1.60 115.11 120.17 1rf6 h GLN 53 Ca 0.17 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1rf6 h GLN 53 Cb 0.07 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1rf6 h GLN 53 CO -0.11 0.49 0.17 0.28 -2.65 0.00 0.00 178.83 177.00 1rf6 h VAL 54 N 0.14 1.07 -0.18 2.39 2.07 -0.74 0.08 116.25 121.09 1rf6 h VAL 54 Ca 0.02 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 1rf6 h VAL 54 Cb 0.68 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1rf6 h VAL 54 CO 0.05 0.07 -0.38 -0.26 0.02 0.00 0.00 177.57 177.07 1rf6 h PHE 55 N 0.34 0.46 -0.35 1.57 -1.00 -1.14 -1.77 116.94 115.05 1rf6 h PHE 55 Ca 0.09 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 1rf6 h PHE 55 Cb -0.03 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 1rf6 h PHE 55 CO -0.06 0.72 -0.02 0.00 -1.61 0.00 0.00 178.31 177.35 1rf6 h ARG 56 N 0.33 0.56 0.00 1.51 3.08 -0.96 0.11 114.38 119.01 1rf6 h ARG 56 Ca 0.03 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 1rf6 h ARG 56 Cb 0.82 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1rf6 h ARG 56 CO 0.07 0.60 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.94 1rf6 h ASP 57 N 0.53 0.00 -0.36 7.04 3.45 -0.34 -1.19 116.42 125.55 1rf6 h ASP 57 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1rf6 h ASP 57 Cb 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1rf6 h ASP 57 CO 0.01 0.19 0.00 0.18 -1.57 0.00 0.00 179.24 178.05 1rf6 n LEU 58 N -3.59 2.62 0.00 1.55 4.32 -0.15 -4.09 117.00 117.66 1rf6 n LEU 58 Ca -0.01 -1.32 0.00 0.00 -0.02 0.00 0.00 56.01 54.66 1rf6 n LEU 58 Cb 0.33 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 1rf6 n LEU 58 CO 0.32 0.50 0.00 0.61 -1.22 0.00 0.00 177.39 177.60 1rf6 n GLY 59 N 0.84 0.75 3.73 -0.72 0.00 -0.45 -1.51 105.19 107.84 1rf6 n GLY 59 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1rf6 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 60 N -2.66 4.87 -0.24 1.61 1.01 -0.19 -4.98 120.40 119.81 1rf6 s VAL 60 Ca 0.00 1.58 -0.26 0.00 0.00 0.00 0.00 61.98 63.31 1rf6 s VAL 60 Cb 0.00 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1rf6 s VAL 60 CO 0.00 0.31 0.88 -1.61 0.00 0.00 0.00 175.10 174.68 1rf6 s GLU 61 N 0.34 4.20 -0.25 2.72 2.02 -1.26 -3.84 118.70 122.63 1rf6 s GLU 61 Ca 0.39 1.05 -0.02 0.00 0.02 0.00 0.00 54.97 56.41 1rf6 s GLU 61 Cb -0.19 -3.64 0.08 0.00 0.10 0.00 0.00 34.13 30.47 1rf6 s GLU 61 CO 0.21 -0.54 0.05 0.42 0.02 0.00 0.00 175.26 175.42 1rf6 s ILE 62 N 2.93 0.78 -0.14 -1.63 1.01 -1.26 -1.60 121.20 121.28 1rf6 s ILE 62 Ca 0.37 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 1rf6 s ILE 62 Cb -0.15 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1rf6 s ILE 62 CO 0.07 -0.40 0.12 -0.70 0.00 0.00 0.00 174.94 174.03 1rf6 s GLU 63 N 1.71 3.65 -0.49 2.79 2.12 0.41 -4.93 118.70 123.97 1rf6 s GLU 63 Ca 0.03 -0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.16 1rf6 s GLU 63 Cb -0.17 -3.22 0.13 0.00 0.26 0.00 0.00 34.13 31.12 1rf6 s GLU 63 CO -0.15 0.60 0.27 0.34 -0.54 0.00 0.00 175.26 175.78 1rf6 s ASP 64 N -0.52 5.04 -0.06 -1.70 3.68 -1.26 -0.22 116.67 121.62 1rf6 s ASP 64 Ca 0.12 -2.47 0.03 0.00 2.13 0.00 0.00 52.55 52.36 1rf6 s ASP 64 Cb -0.12 -1.78 0.01 0.00 -1.45 0.00 0.00 42.92 39.58 1rf6 s ASP 64 CO 0.02 -0.42 -0.14 -0.75 0.13 0.00 0.00 175.17 174.02 1rf6 s LYS 65 N 0.50 1.80 -1.62 4.34 2.20 -0.54 -4.81 119.74 121.61 1rf6 s LYS 65 Ca 0.13 -0.47 -0.16 0.00 -0.36 0.00 0.00 55.97 55.12 1rf6 s LYS 65 Cb -0.22 -1.48 0.12 0.00 -1.51 0.00 0.00 37.83 34.75 1rf6 s LYS 65 CO -0.04 0.06 0.85 -0.25 -0.36 0.00 0.00 175.35 175.61 1rf6 n ASP 66 N 3.71 -3.75 0.00 1.43 8.00 -1.26 -1.15 116.55 123.53 1rf6 n ASP 66 Ca -0.22 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1rf6 n ASP 66 Cb 0.52 -3.25 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1rf6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rf6 n GLY 67 N -1.55 0.63 3.28 0.44 0.00 -1.26 -5.02 105.19 101.70 1rf6 n GLY 67 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1rf6 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 68 N -2.57 2.17 -0.20 1.61 1.01 -0.30 -4.45 120.40 117.67 1rf6 s VAL 68 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 1rf6 s VAL 68 Cb 0.00 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1rf6 s VAL 68 CO 0.00 0.57 0.28 -0.63 0.00 0.00 0.00 175.10 175.31 1rf6 s ILE 69 N -0.08 5.30 -0.14 2.22 -1.09 -0.76 -1.47 121.20 125.17 1rf6 s ILE 69 Ca -0.06 0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 1rf6 s ILE 69 Cb -0.14 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1rf6 s ILE 69 CO 0.05 0.34 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.02 1rf6 s THR 70 N 0.88 1.85 -0.10 2.92 2.01 0.69 -0.23 115.64 123.66 1rf6 s THR 70 Ca 0.14 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1rf6 s THR 70 Cb -0.13 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 1rf6 s THR 70 CO 0.05 0.51 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 1rf6 s VAL 71 N 1.06 2.66 -0.53 3.82 1.01 0.51 -0.44 120.40 128.50 1rf6 s VAL 71 Ca -0.02 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1rf6 s VAL 71 Cb -0.14 -2.06 0.11 0.00 0.00 0.00 0.00 36.38 34.29 1rf6 s VAL 71 CO -0.06 0.55 0.51 -1.10 0.00 0.00 0.00 175.10 175.00 1rf6 s GLN 72 N 0.09 3.00 0.62 2.72 -1.52 -0.63 -1.19 119.66 122.75 1rf6 s GLN 72 Ca -0.08 -1.57 -0.18 0.00 -1.95 0.00 0.00 55.36 51.58 1rf6 s GLN 72 Cb -0.15 -4.26 -0.04 0.00 -0.22 0.00 0.00 33.01 28.34 1rf6 s GLN 72 CO 0.05 -1.29 0.89 0.41 -0.25 0.00 0.00 175.29 175.10 1rf6 n GLY 73 N 5.24 -0.53 0.41 3.09 0.00 -0.05 -4.29 105.19 109.06 1rf6 n GLY 73 Ca -0.13 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.74 1rf6 n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rf6 n VAL 74 N -1.88 0.90 0.00 1.61 0.24 -0.35 -4.47 118.33 114.38 1rf6 n VAL 74 Ca 0.14 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1rf6 n VAL 74 Cb 0.48 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1rf6 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rf6 n GLY 75 N 0.20 2.10 0.00 7.63 0.00 -1.07 -3.21 105.19 110.84 1rf6 n GLY 75 Ca 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1rf6 n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1rf6 n MET 76 N 0.00 0.00 -1.70 1.61 1.56 -1.10 -4.18 117.12 113.30 1rf6 n MET 76 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1rf6 n MET 76 Cb 0.00 0.00 0.07 0.00 2.15 0.00 0.00 33.22 35.44 1rf6 n MET 76 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rf6 n ALA 77 N 0.00 2.97 0.68 -5.12 0.00 -1.26 -4.86 120.51 112.92 1rf6 n ALA 77 Ca 0.00 -2.80 0.08 0.00 0.00 0.00 0.00 53.44 50.71 1rf6 n ALA 77 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1rf6 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rf6 n GLY 78 N -0.23 -0.04 3.77 0.00 0.00 -1.20 -5.00 105.19 102.49 1rf6 n GLY 78 Ca 0.13 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 1rf6 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rf6 s LEU 79 N -1.93 4.33 0.25 0.99 2.01 -1.26 -4.93 118.68 118.13 1rf6 s LEU 79 Ca 0.13 2.44 0.11 0.00 0.01 0.00 0.00 54.13 56.81 1rf6 s LEU 79 Cb 0.12 -3.84 -0.05 0.00 0.01 0.00 0.00 46.19 42.44 1rf6 s LEU 79 CO 0.37 -0.54 -0.11 -0.54 1.01 0.00 0.00 176.35 176.54 1rf6 s LYS 80 N -1.99 1.96 0.24 1.70 1.02 -0.57 -4.95 119.74 117.14 1rf6 s LYS 80 Ca 0.52 -1.54 -0.31 0.00 0.02 0.00 0.00 55.97 54.66 1rf6 s LYS 80 Cb -0.34 -1.98 -0.13 0.00 -0.52 0.00 0.00 37.83 34.86 1rf6 s LYS 80 CO 0.43 0.37 1.55 0.00 -0.92 0.00 0.00 175.35 176.78 1rf6 n ALA 81 N -0.54 1.93 -1.81 5.17 0.00 -1.26 -4.46 120.51 119.53 1rf6 n ALA 81 Ca -0.07 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 1rf6 n ALA 81 Cb 0.59 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.60 1rf6 n ALA 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rf6 s PRO 82 N 0.03 3.97 0.17 0.00 0.04 -1.26 -4.88 135.00 133.06 1rf6 s PRO 82 Ca 0.70 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1rf6 s PRO 82 Cb -0.58 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 31.88 1rf6 s PRO 82 CO 0.44 -0.26 1.65 -0.56 0.04 0.00 0.00 177.00 178.31 1rf6 h GLN 83 N 1.24 0.94 -5.07 4.56 -0.00 -1.94 -3.46 115.11 111.40 1rf6 h GLN 83 Ca -0.48 -0.26 -0.62 0.00 -0.00 0.00 0.00 58.65 57.29 1rf6 h GLN 83 Cb 1.19 -0.11 -0.13 0.00 -0.00 0.00 0.00 27.48 28.43 1rf6 h GLN 83 CO 0.61 0.91 -0.50 -0.80 -0.00 0.00 0.00 178.83 179.05 1rf6 s ASN 84 N -6.35 3.34 0.54 0.06 0.01 -1.26 -5.13 114.94 106.16 1rf6 s ASN 84 Ca -0.12 -1.71 -0.21 0.00 -0.71 0.00 0.00 52.86 50.11 1rf6 s ASN 84 Cb 0.13 0.60 -0.05 0.00 0.41 0.00 0.00 41.25 42.34 1rf6 s ASN 84 CO 0.83 -0.95 1.25 0.00 -1.51 0.00 0.00 177.10 176.72 1rf6 s ALA 85 N -3.08 2.75 -0.21 0.60 0.00 -1.26 -4.90 121.76 115.66 1rf6 s ALA 85 Ca 0.15 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1rf6 s ALA 85 Cb 0.01 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1rf6 s ALA 85 CO 0.10 -1.12 1.00 -0.51 0.00 0.00 0.00 175.76 175.23 1rf6 s LEU 86 N -3.60 4.12 -0.54 0.00 1.43 0.02 -4.96 118.68 115.15 1rf6 s LEU 86 Ca 0.72 1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 54.94 1rf6 s LEU 86 Cb -0.34 -3.48 0.05 0.00 0.03 0.00 0.00 46.19 42.45 1rf6 s LEU 86 CO 0.39 -0.61 0.84 0.21 0.23 0.00 0.00 176.35 177.41 1rf6 s ASN 87 N 1.20 6.30 0.00 2.29 3.84 -1.26 -1.86 114.94 125.45 1rf6 s ASN 87 Ca 0.43 -0.54 0.28 0.00 0.21 0.00 0.00 52.86 53.24 1rf6 s ASN 87 Cb -0.16 -2.39 1.03 0.00 -0.55 0.00 0.00 41.25 39.19 1rf6 s ASN 87 CO 0.08 -1.12 1.74 0.23 -2.79 0.00 0.00 177.10 175.24 1rf6 n MET 88 N 7.04 0.71 0.00 0.43 2.81 0.21 -4.80 117.12 123.52 1rf6 n MET 88 Ca -0.01 -0.32 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 1rf6 n MET 88 Cb 0.47 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1rf6 n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 89 N 1.31 3.66 0.74 3.03 0.00 -1.25 -1.66 105.19 111.02 1rf6 n GLY 89 Ca 0.13 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.46 1rf6 n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rf6 n ASN 90 N 7.43 2.58 -4.52 1.61 2.85 -1.26 -0.32 115.26 123.62 1rf6 n ASN 90 Ca 0.00 -1.76 -0.43 0.00 -0.11 0.00 0.00 54.58 52.28 1rf6 n ASN 90 Cb 0.00 -0.04 -0.04 0.00 1.24 0.00 0.00 39.78 40.94 1rf6 n ASN 90 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1rf6 s SER 91 N -1.40 6.31 0.19 1.20 0.15 -0.67 -4.77 113.70 114.72 1rf6 s SER 91 Ca 0.22 -0.43 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1rf6 s SER 91 Cb 0.15 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 62.12 1rf6 s SER 91 CO 0.22 -1.29 1.47 1.23 1.20 0.00 0.00 173.24 176.07 1rf6 h GLY 92 N 11.15 0.47 0.98 9.45 0.00 -1.93 -2.86 103.07 120.32 1rf6 h GLY 92 Ca -0.27 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.46 1rf6 h GLY 92 CO 1.11 0.55 0.53 -0.84 0.00 0.00 0.00 176.54 177.89 1rf6 h THR 93 N 0.31 1.19 0.53 4.70 2.02 -1.97 -1.22 112.91 118.47 1rf6 h THR 93 Ca -0.02 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1rf6 h THR 93 Cb 1.21 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1rf6 h THR 93 CO 0.11 0.20 -0.25 0.28 0.37 0.00 0.00 175.52 176.23 1rf6 h SER 94 N 1.07 -0.60 -0.58 4.18 0.02 -1.88 -1.44 113.55 114.32 1rf6 h SER 94 Ca 0.30 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1rf6 h SER 94 Cb -0.10 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1rf6 h SER 94 CO -0.07 -0.37 0.08 -0.29 -1.14 0.00 0.00 176.83 175.03 1rf6 h ILE 95 N -0.79 1.26 -0.06 3.27 2.10 -1.41 -0.57 117.51 121.30 1rf6 h ILE 95 Ca -0.07 -1.01 -0.02 0.00 1.08 0.00 0.00 64.86 64.84 1rf6 h ILE 95 Cb 0.58 0.79 -0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1rf6 h ILE 95 CO 0.12 0.37 -0.03 0.03 -1.08 0.00 0.00 178.15 177.56 1rf6 h ARG 96 N 0.86 0.13 -0.48 2.19 3.08 -1.26 -1.85 114.38 117.04 1rf6 h ARG 96 Ca 0.17 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.04 1rf6 h ARG 96 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1rf6 h ARG 96 CO 0.01 0.50 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.14 1rf6 h LEU 97 N -0.24 1.01 -1.41 3.04 3.38 -1.28 -2.99 115.31 116.82 1rf6 h LEU 97 Ca 0.01 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1rf6 h LEU 97 Cb 0.46 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rf6 h LEU 97 CO 0.01 1.18 -0.16 0.40 0.09 0.00 0.00 178.44 179.95 1rf6 h ILE 98 N 0.84 0.46 -0.55 1.22 2.04 -1.14 -2.01 117.51 118.37 1rf6 h ILE 98 Ca 0.11 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1rf6 h ILE 98 Cb 0.78 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.44 1rf6 h ILE 98 CO 0.06 0.16 0.16 0.28 0.00 0.00 0.00 178.15 178.82 1rf6 h SER 99 N 0.00 0.77 0.69 1.72 0.02 -1.18 -0.09 113.55 115.48 1rf6 h SER 99 Ca -0.00 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.64 1rf6 h SER 99 Cb 0.59 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1rf6 h SER 99 CO 0.02 0.73 -0.85 1.23 -1.14 0.00 0.00 176.83 176.83 1rf6 h GLY 100 N 0.96 0.11 0.99 -3.77 0.00 -1.43 -3.07 103.07 96.87 1rf6 h GLY 100 Ca 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1rf6 h GLY 100 CO -0.01 0.18 0.19 -2.08 0.00 0.00 0.00 176.54 174.82 1rf6 h VAL 101 N 0.06 1.23 -0.11 4.60 2.07 -0.65 -2.63 116.25 120.82 1rf6 h VAL 101 Ca -0.03 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1rf6 h VAL 101 Cb 1.47 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1rf6 h VAL 101 CO 0.12 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.18 1rf6 n LEU 102 N -4.46 0.76 -0.14 2.57 4.77 -0.13 -4.15 117.00 116.22 1rf6 n LEU 102 Ca 0.03 -0.35 0.22 0.00 -0.03 0.00 0.00 56.01 55.88 1rf6 n LEU 102 Cb 0.19 -0.07 0.64 0.00 -2.33 0.00 0.00 43.42 41.85 1rf6 n LEU 102 CO 0.39 0.18 1.22 0.00 -1.33 0.00 0.00 177.39 177.85 1rf6 h ALA 103 N 3.52 2.51 -0.64 -1.18 0.00 -1.37 -0.01 119.26 122.09 1rf6 h ALA 103 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rf6 h ALA 103 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rf6 h ALA 103 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 179.25 178.92 1rf6 n GLY 104 N -1.62 2.71 3.68 0.00 0.00 -1.26 -2.07 105.19 106.63 1rf6 n GLY 104 Ca 0.16 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1rf6 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 s ALA 105 N -1.49 3.56 -0.32 4.61 0.00 -0.02 -4.45 121.76 123.66 1rf6 s ALA 105 Ca 0.48 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.90 1rf6 s ALA 105 Cb 0.28 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1rf6 s ALA 105 CO 0.27 -0.91 3.16 -3.47 0.00 0.00 0.00 175.76 174.80 1rf6 n ASP 106 N 5.75 6.05 -3.73 0.00 2.03 -1.26 -1.24 116.55 124.15 1rf6 n ASP 106 Ca 0.12 -2.85 -0.06 0.00 0.52 0.00 0.00 54.79 52.52 1rf6 n ASP 106 Cb 0.46 -1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 39.51 1rf6 n ASP 106 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1rf6 s PHE 107 N -0.31 -0.23 -0.14 -0.67 -0.12 -1.26 -5.00 117.98 110.25 1rf6 s PHE 107 Ca 0.63 -0.11 -0.04 0.00 -0.05 0.00 0.00 56.93 57.36 1rf6 s PHE 107 Cb 0.34 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 43.35 1rf6 s PHE 107 CO -0.11 -0.97 -0.02 -2.00 -0.05 0.00 0.00 175.22 172.07 1rf6 s GLU 108 N -3.59 3.53 0.16 1.99 2.12 -1.26 -3.33 118.70 118.33 1rf6 s GLU 108 Ca 0.10 -0.48 0.06 0.00 0.36 0.00 0.00 54.97 55.01 1rf6 s GLU 108 Cb -0.03 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1rf6 s GLU 108 CO 0.01 0.36 -0.13 0.54 -0.54 0.00 0.00 175.26 175.50 1rf6 s VAL 109 N 0.05 1.46 -0.00 3.70 0.11 0.33 -4.95 120.40 121.10 1rf6 s VAL 109 Ca 0.01 -2.02 0.04 0.00 -2.93 0.00 0.00 61.98 57.08 1rf6 s VAL 109 Cb -0.13 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 1rf6 s VAL 109 CO 0.02 -0.58 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.42 1rf6 s GLU 110 N -3.36 2.48 -0.10 1.54 2.12 -1.26 -0.46 118.70 119.67 1rf6 s GLU 110 Ca 0.17 -0.75 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 1rf6 s GLU 110 Cb -0.01 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.96 1rf6 s GLU 110 CO 0.04 0.60 -0.06 -1.64 -0.54 0.00 0.00 175.26 173.66 1rf6 s MET 111 N -1.27 1.28 0.39 4.30 -1.94 0.76 -0.80 119.30 122.02 1rf6 s MET 111 Ca 0.15 -0.16 0.06 0.00 -1.71 0.00 0.00 55.69 54.03 1rf6 s MET 111 Cb -0.11 -1.39 -0.07 0.00 2.01 0.00 0.00 34.83 35.26 1rf6 s MET 111 CO 0.06 -0.25 0.02 -0.59 -0.01 0.00 0.00 175.02 174.24 1rf6 s PHE 112 N 1.69 2.38 0.35 -0.03 -0.71 -0.78 -0.24 117.98 120.65 1rf6 s PHE 112 Ca 0.03 -0.74 -0.01 0.00 -1.04 0.00 0.00 56.93 55.17 1rf6 s PHE 112 Cb -0.13 -1.66 0.00 0.00 -1.21 0.00 0.00 43.02 40.03 1rf6 s PHE 112 CO -0.07 0.34 0.47 0.41 -1.34 0.00 0.00 175.22 175.03 1rf6 n GLY 113 N -0.91 2.19 1.21 1.99 0.00 -1.26 -0.62 105.19 107.80 1rf6 n GLY 113 Ca -0.05 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1rf6 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rf6 n ASP 114 N -1.63 -0.55 -0.22 1.61 3.85 0.56 -4.61 116.55 115.57 1rf6 n ASP 114 Ca 0.02 -0.97 0.04 0.00 -0.71 0.00 0.00 54.79 53.16 1rf6 n ASP 114 Cb 0.60 -0.33 0.30 0.00 -1.35 0.00 0.00 41.12 40.33 1rf6 n ASP 114 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1rf6 h ASP 115 N -0.99 0.78 0.16 -1.12 -0.00 -1.99 -1.27 116.42 112.00 1rf6 h ASP 115 Ca -0.14 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 56.88 1rf6 h ASP 115 Cb 0.40 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1rf6 h ASP 115 CO 0.09 0.52 -0.08 -1.28 -0.00 0.00 0.00 179.24 178.50 1rf6 h SER 116 N 0.89 -0.19 -0.77 4.15 0.87 -1.88 -3.28 113.55 113.35 1rf6 h SER 116 Ca 0.32 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1rf6 h SER 116 Cb 0.13 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 1rf6 h SER 116 CO -0.10 0.25 0.50 0.25 -0.53 0.00 0.00 176.83 177.20 1rf6 h LEU 117 N -0.67 0.91 -0.93 2.23 6.46 -1.76 -2.66 115.31 118.88 1rf6 h LEU 117 Ca -0.02 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1rf6 h LEU 117 Cb 0.49 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1rf6 h LEU 117 CO 0.04 0.67 0.00 -1.20 -0.62 0.00 0.00 178.44 177.33 1rf6 n SER 118 N -4.40 0.41 -1.19 1.25 7.64 -0.49 -1.63 113.62 115.21 1rf6 n SER 118 Ca 0.08 0.68 0.12 0.00 1.01 0.00 0.00 58.87 60.76 1rf6 n SER 118 Cb 0.04 -0.73 0.23 0.00 -1.01 0.00 0.00 64.21 62.74 1rf6 n SER 118 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rf6 n LYS 119 N -2.03 2.54 -4.15 1.43 5.02 -1.00 -4.07 118.16 115.90 1rf6 n LYS 119 Ca -0.00 -2.35 -0.35 0.00 -2.02 0.00 0.00 58.31 53.59 1rf6 n LYS 119 Cb 0.05 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.45 1rf6 n LYS 119 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rf6 s ARG 120 N -1.43 3.45 0.20 1.97 0.52 -0.65 -5.05 118.95 117.97 1rf6 s ARG 120 Ca 0.40 -0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 1rf6 s ARG 120 Cb 0.23 -3.02 -0.09 0.00 0.52 0.00 0.00 34.95 32.59 1rf6 s ARG 120 CO 0.32 0.55 1.38 -1.25 0.02 0.00 0.00 175.30 176.32 1rf6 s PRO 121 N -0.42 4.33 0.00 3.54 0.04 -1.26 -4.14 135.00 137.08 1rf6 s PRO 121 Ca 0.09 2.16 0.08 0.00 0.04 0.00 0.00 61.00 63.37 1rf6 s PRO 121 Cb -0.12 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.31 1rf6 s PRO 121 CO 0.02 -0.36 0.72 -1.33 0.04 0.00 0.00 177.00 176.09 1rf6 n MET 122 N 2.77 0.39 -0.13 4.56 2.81 -0.65 -4.59 117.12 122.28 1rf6 n MET 122 Ca 0.07 -0.90 0.09 0.00 -1.81 0.00 0.00 57.70 55.15 1rf6 n MET 122 Cb 0.42 -1.13 0.43 0.00 -0.71 0.00 0.00 33.22 32.22 1rf6 n MET 122 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1rf6 h ASP 123 N 1.44 0.51 -0.03 7.83 3.04 -1.63 0.18 116.42 127.77 1rf6 h ASP 123 Ca 0.00 0.01 0.01 0.00 -3.24 0.00 0.00 57.03 53.81 1rf6 h ASP 123 Cb 0.32 -0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 38.50 1rf6 h ASP 123 CO 0.00 0.32 0.11 0.08 -2.04 0.00 0.00 179.24 177.71 1rf6 h ARG 124 N 0.58 0.00 0.00 4.15 0.11 -1.87 -0.54 114.38 116.80 1rf6 h ARG 124 Ca 0.30 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.18 1rf6 h ARG 124 Cb 0.41 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.46 1rf6 h ARG 124 CO -0.10 0.00 -1.73 1.55 0.10 0.00 0.00 179.97 179.79 1rf6 n VAL 125 N -3.24 0.73 -0.11 0.08 3.14 0.18 -4.57 118.33 114.53 1rf6 n VAL 125 Ca -0.02 -0.40 -0.09 0.00 -2.96 0.00 0.00 64.34 60.88 1rf6 n VAL 125 Cb 0.19 -0.80 0.06 0.00 -1.06 0.00 0.00 33.84 32.23 1rf6 n VAL 125 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1rf6 h THR 126 N 0.00 1.27 0.39 1.55 1.35 -0.36 -2.68 112.91 114.43 1rf6 h THR 126 Ca -0.29 -1.33 -0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1rf6 h THR 126 Cb 1.59 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 1rf6 h THR 126 CO -0.00 0.45 -0.40 0.25 -0.25 0.00 0.00 175.52 175.57 1rf6 h LEU 127 N 0.74 -1.09 -0.89 3.87 6.46 -1.36 -0.55 115.31 122.49 1rf6 h LEU 127 Ca 0.10 0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.87 1rf6 h LEU 127 Cb 0.73 0.37 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 1rf6 h LEU 127 CO 0.06 -0.55 -0.14 1.55 -0.62 0.00 0.00 178.44 178.74 1rf6 h PRO 128 N -0.81 0.66 -0.61 5.25 0.13 -1.80 -3.00 132.00 131.82 1rf6 h PRO 128 Ca -0.03 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1rf6 h PRO 128 Cb 0.73 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.77 1rf6 h PRO 128 CO -0.07 0.78 0.31 -0.07 -0.23 0.00 0.00 178.00 178.71 1rf6 h LEU 129 N 0.60 0.76 -1.52 1.56 4.07 -1.26 -1.60 115.31 117.92 1rf6 h LEU 129 Ca 0.10 -0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 1rf6 h LEU 129 Cb 0.59 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1rf6 h LEU 129 CO 0.04 0.63 -0.22 0.11 -1.08 0.00 0.00 178.44 177.92 1rf6 h LYS 130 N 0.85 0.00 0.00 1.13 1.57 -0.96 -1.93 116.57 117.24 1rf6 h LYS 130 Ca 0.21 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1rf6 h LYS 130 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1rf6 h LYS 130 CO -0.03 0.22 -0.15 0.87 -0.57 0.00 0.00 179.45 179.79 1rf6 h LYS 131 N 0.00 0.00 0.00 3.15 1.57 -1.26 -2.31 116.57 117.72 1rf6 h LYS 131 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rf6 h LYS 131 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1rf6 h LYS 131 CO 0.03 0.15 -0.40 -1.33 -0.57 0.00 0.00 179.45 177.33 1rf6 n MET 132 N -3.45 0.03 0.00 3.15 2.81 -0.76 -4.85 117.12 114.06 1rf6 n MET 132 Ca -0.01 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1rf6 n MET 132 Cb 0.32 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1rf6 n MET 132 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 133 N 1.48 1.05 3.78 3.03 0.00 -0.87 -1.16 105.19 112.51 1rf6 n GLY 133 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1rf6 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 134 N -2.00 4.46 -0.34 1.61 1.01 -1.00 -4.62 120.40 119.52 1rf6 s VAL 134 Ca 0.00 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.45 1rf6 s VAL 134 Cb 0.00 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1rf6 s VAL 134 CO 0.00 0.53 0.21 -0.55 0.00 0.00 0.00 175.10 175.29 1rf6 s SER 135 N -1.10 5.86 -0.07 3.32 0.15 -0.47 -3.88 113.70 117.50 1rf6 s SER 135 Ca 0.34 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 56.38 1rf6 s SER 135 Cb -0.22 -2.08 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 1rf6 s SER 135 CO 0.24 -0.26 0.18 -0.63 1.20 0.00 0.00 173.24 173.98 1rf6 s ILE 136 N 1.66 -0.02 -0.00 6.45 1.01 -1.26 -0.52 121.20 128.52 1rf6 s ILE 136 Ca 0.05 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.62 1rf6 s ILE 136 Cb -0.18 -0.27 0.03 0.00 0.01 0.00 0.00 42.46 42.05 1rf6 s ILE 136 CO 0.09 0.04 0.38 -0.94 0.00 0.00 0.00 174.94 174.50 1rf6 s SER 137 N 0.68 -0.26 0.00 3.58 1.04 -1.06 -4.98 113.70 112.70 1rf6 s SER 137 Ca -0.05 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1rf6 s SER 137 Cb -0.06 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1rf6 s SER 137 CO -0.04 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1rf6 n GLY 138 N 0.99 5.67 3.71 7.32 0.00 -1.26 -2.16 105.19 119.46 1rf6 n GLY 138 Ca -0.20 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 1rf6 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf6 s GLN 139 N 1.59 4.31 0.30 1.61 -1.52 0.05 -4.73 119.66 121.27 1rf6 s GLN 139 Ca 0.00 0.48 0.00 0.00 -1.95 0.00 0.00 55.36 53.89 1rf6 s GLN 139 Cb 0.00 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.32 1rf6 s GLN 139 CO 0.00 0.07 0.00 0.25 -0.25 0.00 0.00 175.29 175.36 1rf6 n THR 140 N 3.90 0.00 0.26 -0.19 -2.24 -1.26 -1.36 114.28 113.39 1rf6 n THR 140 Ca -0.06 0.22 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1rf6 n THR 140 Cb 0.51 -0.56 0.43 0.00 -2.10 0.00 0.00 70.33 68.62 1rf6 n THR 140 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1rf6 n GLU 141 N -3.57 0.12 -0.06 -0.78 -0.00 -1.26 -1.24 120.64 113.85 1rf6 n GLU 141 Ca -0.02 0.50 0.12 0.00 -0.00 0.00 0.00 57.16 57.76 1rf6 n GLU 141 Cb 0.46 -1.80 0.41 0.00 -0.00 0.00 0.00 31.44 30.51 1rf6 n GLU 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1rf6 n ARG 142 N -2.04 1.75 -3.84 3.44 1.74 -1.26 -4.81 116.66 111.64 1rf6 n ARG 142 Ca 0.01 -1.11 -0.38 0.00 -0.77 0.00 0.00 57.85 55.60 1rf6 n ARG 142 Cb 0.11 -1.43 0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1rf6 n ARG 142 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1rf6 n ASP 143 N 0.34 -4.88 -4.79 0.55 8.00 -0.38 -1.64 116.55 113.74 1rf6 n ASP 143 Ca 0.17 -1.13 -0.35 0.00 0.71 0.00 0.00 54.79 54.19 1rf6 n ASP 143 Cb 0.35 -2.70 -0.04 0.00 -0.02 0.00 0.00 41.12 38.72 1rf6 n ASP 143 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rf6 s LEU 144 N -6.86 3.95 0.88 0.64 1.02 -0.46 -2.28 118.68 115.56 1rf6 s LEU 144 Ca 0.49 1.95 -0.10 0.00 0.02 0.00 0.00 54.13 56.48 1rf6 s LEU 144 Cb -0.21 -4.43 0.12 0.00 0.02 0.00 0.00 46.19 41.69 1rf6 s LEU 144 CO 0.91 -0.65 1.14 -2.84 0.02 0.00 0.00 176.35 174.92 1rf6 s PRO 145 N -2.98 1.33 0.44 1.29 0.02 -1.26 -0.77 135.00 133.08 1rf6 s PRO 145 Ca 0.64 1.48 -0.23 0.00 0.02 0.00 0.00 61.00 62.91 1rf6 s PRO 145 Cb -0.18 -1.77 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 1rf6 s PRO 145 CO 0.22 -2.39 1.14 -1.25 -0.33 0.00 0.00 177.00 174.38 1rf6 s PRO 146 N -4.67 3.87 0.21 5.54 0.04 -1.26 -4.69 135.00 134.04 1rf6 s PRO 146 Ca 0.66 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.48 1rf6 s PRO 146 Cb -0.22 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1rf6 s PRO 146 CO 0.57 -0.45 0.03 -0.51 0.04 0.00 0.00 177.00 176.69 1rf6 s LEU 147 N -2.92 3.38 -0.12 -3.56 1.43 0.67 -4.27 118.68 113.29 1rf6 s LEU 147 Ca 0.62 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1rf6 s LEU 147 Cb -0.27 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1rf6 s LEU 147 CO 0.33 0.05 -0.11 -0.13 0.23 0.00 0.00 176.35 176.72 1rf6 s ARG 148 N -3.26 1.85 -0.06 1.70 0.52 -0.92 -0.17 118.95 118.61 1rf6 s ARG 148 Ca 0.29 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.14 1rf6 s ARG 148 Cb -0.08 -1.76 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1rf6 s ARG 148 CO 0.20 -0.20 -0.16 -1.17 0.02 0.00 0.00 175.30 173.98 1rf6 s LEU 149 N 1.45 1.84 -0.18 2.53 0.20 0.39 -2.57 118.68 122.34 1rf6 s LEU 149 Ca 0.02 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.47 1rf6 s LEU 149 Cb -0.13 -0.99 0.04 0.00 -0.43 0.00 0.00 46.19 44.67 1rf6 s LEU 149 CO -0.07 0.10 -0.08 -0.75 -0.29 0.00 0.00 176.35 175.27 1rf6 s LYS 150 N 0.36 1.74 0.35 1.98 2.20 0.32 -0.51 119.74 126.18 1rf6 s LYS 150 Ca -0.11 -0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 54.76 1rf6 s LYS 150 Cb -0.15 -2.22 0.08 0.00 -1.51 0.00 0.00 37.83 34.04 1rf6 s LYS 150 CO 0.04 -0.43 0.47 0.41 -0.36 0.00 0.00 175.35 175.48 1rf6 n GLY 151 N 4.78 -0.98 3.14 5.54 0.00 -0.37 -1.37 105.19 115.92 1rf6 n GLY 151 Ca -0.13 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1rf6 n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rf6 s THR 152 N -1.91 0.04 -1.01 2.61 -4.23 -0.88 -4.59 115.64 105.68 1rf6 s THR 152 Ca 0.27 -0.35 0.24 0.00 -1.18 0.00 0.00 61.69 60.67 1rf6 s THR 152 Cb -0.01 -0.43 0.20 0.00 1.34 0.00 0.00 72.50 73.61 1rf6 s THR 152 CO 0.19 -0.19 1.77 0.29 -0.54 0.00 0.00 174.62 176.13 1rf6 n LYS 153 N 2.05 0.01 -2.40 3.99 4.76 -1.26 -3.61 118.16 121.70 1rf6 n LYS 153 Ca -0.18 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.02 1rf6 n LYS 153 Cb 0.57 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.27 1rf6 n LYS 153 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1rf6 n ASN 154 N -1.49 5.80 -4.71 4.39 3.02 -1.26 -5.03 115.26 115.97 1rf6 n ASN 154 Ca 0.06 -3.75 -0.42 0.00 -0.03 0.00 0.00 54.58 50.44 1rf6 n ASN 154 Cb 0.28 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 1rf6 n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rf6 s LEU 155 N -3.78 4.37 0.06 3.41 1.43 -1.24 -4.87 118.68 118.06 1rf6 s LEU 155 Ca 0.48 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.97 1rf6 s LEU 155 Cb 0.37 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 1rf6 s LEU 155 CO -0.25 -0.79 0.41 -0.13 0.23 0.00 0.00 176.35 175.83 1rf6 s ARG 156 N 1.49 3.83 0.76 1.70 0.52 -0.31 -3.52 118.95 123.42 1rf6 s ARG 156 Ca 0.69 0.28 -0.15 0.00 -0.52 0.00 0.00 55.73 56.04 1rf6 s ARG 156 Cb -0.41 -3.07 0.05 0.00 0.52 0.00 0.00 34.95 32.04 1rf6 s ARG 156 CO 0.31 0.60 1.18 -0.35 0.02 0.00 0.00 175.30 177.06 1rf6 n PRO 157 N 1.22 0.47 -4.37 3.54 -0.04 -1.26 -4.57 135.00 129.99 1rf6 n PRO 157 Ca -0.10 0.23 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 1rf6 n PRO 157 Cb 0.52 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 31.46 1rf6 n PRO 157 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rf6 s ILE 158 N -1.89 4.23 -0.32 0.52 1.10 -1.26 -4.85 121.20 118.74 1rf6 s ILE 158 Ca 0.76 -0.26 0.02 0.00 -0.51 0.00 0.00 60.65 60.65 1rf6 s ILE 158 Cb -0.32 -2.80 0.10 0.00 0.15 0.00 0.00 42.46 39.58 1rf6 s ILE 158 CO 0.48 0.57 0.06 -1.00 -2.11 0.00 0.00 174.94 172.94 1rf6 s HIS 159 N -0.54 2.71 -0.02 3.50 3.76 -1.26 -0.29 115.29 123.16 1rf6 s HIS 159 Ca 0.09 -2.32 -0.02 0.00 -0.15 0.00 0.00 55.06 52.67 1rf6 s HIS 159 Cb -0.12 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.32 1rf6 s HIS 159 CO 0.02 -0.90 0.04 -0.47 -0.85 0.00 0.00 174.74 172.58 1rf6 s TYR 160 N 1.27 -0.05 -0.34 1.40 6.14 -0.83 -5.00 117.35 119.94 1rf6 s TYR 160 Ca 0.09 0.12 -0.06 0.00 0.64 0.00 0.00 57.07 57.85 1rf6 s TYR 160 Cb -0.18 0.02 0.04 0.00 0.42 0.00 0.00 41.96 42.26 1rf6 s TYR 160 CO -0.16 -0.02 0.11 -2.00 0.64 0.00 0.00 175.55 174.12 1rf6 s GLU 161 N 0.02 2.59 0.28 4.97 -6.30 -1.26 -1.22 118.70 117.79 1rf6 s GLU 161 Ca -0.00 -1.21 -0.30 0.00 -2.50 0.00 0.00 54.97 50.95 1rf6 s GLU 161 Cb -0.00 -3.47 -0.12 0.00 0.00 0.00 0.00 34.13 30.54 1rf6 s GLU 161 CO 0.00 -0.69 1.63 1.28 0.02 0.00 0.00 175.26 177.51 1rf6 n LEU 162 N 4.80 4.37 -0.21 2.70 4.32 -0.31 -4.90 117.00 127.77 1rf6 n LEU 162 Ca -0.12 1.13 0.13 0.00 -0.02 0.00 0.00 56.01 57.13 1rf6 n LEU 162 Cb 0.44 -1.60 0.41 0.00 -1.62 0.00 0.00 43.42 41.05 1rf6 n LEU 162 CO 0.32 0.20 0.68 -0.81 -1.22 0.00 0.00 177.39 176.55 1rf6 n PRO 163 N 2.51 0.77 -4.08 3.23 -0.04 -1.26 -4.07 135.00 132.06 1rf6 n PRO 163 Ca 0.10 -0.43 -0.08 0.00 -0.04 0.00 0.00 63.50 63.04 1rf6 n PRO 163 Cb 0.37 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 1rf6 n PRO 163 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1rf6 s ILE 164 N -2.52 0.31 -1.39 0.52 -4.36 -1.26 -5.05 121.20 107.45 1rf6 s ILE 164 Ca 0.24 -1.62 -0.11 0.00 -0.26 0.00 0.00 60.65 58.90 1rf6 s ILE 164 Cb 0.19 -1.26 0.08 0.00 1.25 0.00 0.00 42.46 42.73 1rf6 s ILE 164 CO 0.52 -0.84 2.19 0.00 0.24 0.00 0.00 174.94 177.05 1rf6 n ALA 165 N 0.44 5.83 -3.11 2.27 0.00 -1.26 -4.48 120.51 120.20 1rf6 n ALA 165 Ca -0.16 -4.03 -0.34 0.00 0.00 0.00 0.00 53.44 48.91 1rf6 n ALA 165 Cb 0.59 -3.23 -0.13 0.00 0.00 0.00 0.00 19.45 16.69 1rf6 n ALA 165 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rf6 s SER 166 N 1.87 4.39 0.12 0.00 0.15 -1.26 -4.89 113.70 114.08 1rf6 s SER 166 Ca 0.47 -0.26 0.07 0.00 0.70 0.00 0.00 55.95 56.93 1rf6 s SER 166 Cb 0.13 -1.71 -0.21 0.00 -1.71 0.00 0.00 66.02 62.52 1rf6 s SER 166 CO -0.05 0.13 1.27 0.00 1.20 0.00 0.00 173.24 175.79 1rf6 h ALA 167 N 7.00 0.35 -0.37 5.45 0.00 -1.92 -3.14 119.26 126.64 1rf6 h ALA 167 Ca -0.31 -0.92 -0.04 0.00 0.00 0.00 0.00 54.91 53.64 1rf6 h ALA 167 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rf6 h ALA 167 CO 0.59 1.25 0.07 1.96 0.00 0.00 0.00 179.25 183.13 1rf6 h GLN 168 N 0.00 0.60 -0.54 0.00 4.20 -1.93 -0.08 115.11 117.35 1rf6 h GLN 168 Ca -0.01 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 1rf6 h GLN 168 Cb 1.77 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 1rf6 h GLN 168 CO 0.13 0.65 0.17 0.28 -0.67 0.00 0.00 178.83 179.39 1rf6 h VAL 169 N 0.45 1.24 -0.27 -0.54 2.07 -1.93 0.94 116.25 118.21 1rf6 h VAL 169 Ca 0.11 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1rf6 h VAL 169 Cb 0.33 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1rf6 h VAL 169 CO 0.00 0.30 0.12 0.50 0.02 0.00 0.00 177.57 178.51 1rf6 h LYS 170 N 0.75 0.26 -0.59 1.57 3.64 -1.47 -1.85 116.57 118.88 1rf6 h LYS 170 Ca 0.17 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1rf6 h LYS 170 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1rf6 h LYS 170 CO -0.00 0.17 0.10 0.77 -2.27 0.00 0.00 179.45 178.22 1rf6 h SER 171 N 0.26 0.94 -0.38 4.20 0.02 -0.77 -0.75 113.55 117.07 1rf6 h SER 171 Ca 0.11 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1rf6 h SER 171 Cb 0.05 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1rf6 h SER 171 CO -0.09 0.96 0.23 0.00 -1.14 0.00 0.00 176.83 176.79 1rf6 h ALA 172 N 1.02 0.48 -0.13 3.77 0.00 -0.62 -1.17 119.26 122.61 1rf6 h ALA 172 Ca 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1rf6 h ALA 172 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1rf6 h ALA 172 CO 0.01 -0.09 -0.21 -0.07 0.00 0.00 0.00 179.25 178.88 1rf6 h LEU 173 N 0.48 0.22 -0.34 0.00 4.07 -1.11 -2.11 115.31 116.52 1rf6 h LEU 173 Ca 0.15 -0.06 -0.14 0.00 0.08 0.00 0.00 57.88 57.91 1rf6 h LEU 173 Cb -0.02 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1rf6 h LEU 173 CO -0.05 0.44 -0.32 0.24 -1.08 0.00 0.00 178.44 177.67 1rf6 h MET 174 N 0.21 0.81 -0.62 1.13 2.86 -0.47 -0.10 114.93 118.75 1rf6 h MET 174 Ca 0.04 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 1rf6 h MET 174 Cb 0.50 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1rf6 h MET 174 CO 0.03 1.06 0.12 0.74 1.06 0.00 0.00 176.91 179.92 1rf6 h PHE 175 N 0.59 1.04 -0.39 -0.22 0.05 -1.02 -1.48 116.94 115.50 1rf6 h PHE 175 Ca 0.06 -0.13 -0.08 0.00 3.82 0.00 0.00 57.97 61.64 1rf6 h PHE 175 Cb 0.90 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 38.55 1rf6 h PHE 175 CO 0.07 0.87 -0.07 0.00 -0.18 0.00 0.00 178.31 179.01 1rf6 h ALA 176 N 1.18 0.54 -0.45 2.45 0.00 -1.28 -2.90 119.26 118.80 1rf6 h ALA 176 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rf6 h ALA 176 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1rf6 h ALA 176 CO 0.01 0.38 0.28 0.00 0.00 0.00 0.00 179.25 179.91 1rf6 h ALA 177 N 0.85 1.65 0.00 0.00 0.00 -0.66 -0.70 119.26 120.40 1rf6 h ALA 177 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rf6 h ALA 177 Cb 0.57 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rf6 h ALA 177 CO 0.03 0.32 -0.00 -0.07 0.00 0.00 0.00 179.25 179.53 1rf6 h LEU 178 N 0.62 0.00 0.00 0.00 4.07 -1.06 -2.62 115.31 116.31 1rf6 h LEU 178 Ca 0.16 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.00 1rf6 h LEU 178 Cb -0.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1rf6 h LEU 178 CO -0.03 0.00 -2.05 0.00 -1.08 0.00 0.00 178.44 175.28 1rf6 n GLN 179 N -3.27 0.73 -2.49 1.13 6.02 -0.32 -1.72 117.38 117.45 1rf6 n GLN 179 Ca -0.03 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.52 1rf6 n GLN 179 Cb 0.09 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 1rf6 n GLN 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rf6 s ALA 180 N -3.07 3.05 -0.28 -1.58 0.00 -0.87 -4.67 121.76 114.34 1rf6 s ALA 180 Ca -0.08 0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1rf6 s ALA 180 Cb 0.10 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 1rf6 s ALA 180 CO 0.82 -0.17 0.59 0.15 0.00 0.00 0.00 175.76 177.15 1rf6 s LYS 181 N -3.85 4.01 0.00 0.00 1.02 -1.23 -2.52 119.74 117.17 1rf6 s LYS 181 Ca 0.60 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.96 1rf6 s LYS 181 Cb -0.10 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1rf6 s LYS 181 CO 0.27 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1rf6 n GLY 182 N 4.34 0.68 3.63 -3.33 0.00 -0.73 -4.24 105.19 105.55 1rf6 n GLY 182 Ca -0.02 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.35 1rf6 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf6 s GLU 183 N -0.73 4.07 0.02 1.61 2.12 -1.26 -1.25 118.70 123.28 1rf6 s GLU 183 Ca 0.00 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.36 1rf6 s GLU 183 Cb 0.00 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1rf6 s GLU 183 CO 0.00 -0.16 0.08 -1.12 -0.54 0.00 0.00 175.26 173.53 1rf6 s SER 184 N 1.39 5.64 -0.09 -1.70 0.01 -0.06 -4.57 113.70 114.33 1rf6 s SER 184 Ca 0.15 0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.51 1rf6 s SER 184 Cb -0.15 -1.59 0.02 0.00 0.21 0.00 0.00 66.02 64.51 1rf6 s SER 184 CO 0.09 0.24 -0.05 0.68 0.41 0.00 0.00 173.24 174.61 1rf6 s VAL 185 N -1.26 0.77 -0.19 3.43 -7.23 0.60 -1.10 120.40 115.42 1rf6 s VAL 185 Ca 0.25 -0.16 -0.00 0.00 -1.81 0.00 0.00 61.98 60.26 1rf6 s VAL 185 Cb -0.12 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.01 1rf6 s VAL 185 CO 0.17 0.31 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.48 1rf6 s ILE 186 N 1.59 2.37 -0.26 -0.62 1.01 0.16 -1.97 121.20 123.48 1rf6 s ILE 186 Ca 0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 1rf6 s ILE 186 Cb -0.13 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 1rf6 s ILE 186 CO -0.05 0.49 0.04 -0.63 0.00 0.00 0.00 174.94 174.79 1rf6 s ILE 187 N 1.33 3.93 0.53 2.92 1.01 -0.36 0.41 121.20 130.98 1rf6 s ILE 187 Ca 0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 1rf6 s ILE 187 Cb -0.14 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 1rf6 s ILE 187 CO -0.10 0.28 1.04 -1.61 0.00 0.00 0.00 174.94 174.54 1rf6 s GLU 188 N 1.54 3.62 0.01 2.79 2.02 -0.14 -1.16 118.70 127.37 1rf6 s GLU 188 Ca 0.05 1.23 -0.08 0.00 0.02 0.00 0.00 54.97 56.19 1rf6 s GLU 188 Cb -0.16 -2.08 -0.30 0.00 0.10 0.00 0.00 34.13 31.70 1rf6 s GLU 188 CO 0.01 -0.56 0.88 -0.22 0.02 0.00 0.00 175.26 175.39 1rf6 h LYS 189 N 1.00 0.36 -3.56 1.61 3.64 -1.79 -3.46 116.57 114.37 1rf6 h LYS 189 Ca -0.48 -0.61 -0.12 0.00 -1.27 0.00 0.00 60.65 58.17 1rf6 h LYS 189 Cb 1.21 0.23 -0.18 0.00 -0.41 0.00 0.00 32.23 33.08 1rf6 h LYS 189 CO 0.59 1.26 -0.43 -1.21 -2.27 0.00 0.00 179.45 177.39 1rf6 s GLU 190 N -2.61 0.64 0.12 1.90 0.41 -1.26 -5.02 118.70 112.88 1rf6 s GLU 190 Ca -0.10 -0.59 -0.31 0.00 -0.41 0.00 0.00 54.97 53.56 1rf6 s GLU 190 Cb 0.06 0.26 -0.09 0.00 -1.78 0.00 0.00 34.13 32.58 1rf6 s GLU 190 CO 0.88 -0.17 1.59 0.71 -0.49 0.00 0.00 175.26 177.78 1rf6 s TYR 191 N -2.30 2.79 0.40 1.61 1.51 -1.26 -4.87 117.35 115.23 1rf6 s TYR 191 Ca -0.07 0.51 0.06 0.00 -1.01 0.00 0.00 57.07 56.56 1rf6 s TYR 191 Cb -0.02 -3.93 -0.08 0.00 -0.11 0.00 0.00 41.96 37.82 1rf6 s TYR 191 CO -0.03 -3.55 0.02 0.95 -1.11 0.00 0.00 175.55 171.84 1rf6 s THR 192 N 1.81 1.84 -0.07 -0.71 -4.23 -1.26 -4.72 115.64 108.30 1rf6 s THR 192 Ca 0.71 -2.00 -0.39 0.00 -1.18 0.00 0.00 61.69 58.83 1rf6 s THR 192 Cb -0.41 -2.94 -0.18 0.00 1.34 0.00 0.00 72.50 70.31 1rf6 s THR 192 CO 0.32 0.00 1.39 -2.11 -0.54 0.00 0.00 174.62 173.67 1rf6 n ARG 193 N -0.93 0.77 -1.27 3.99 1.85 -1.26 -4.85 116.66 114.97 1rf6 n ARG 193 Ca -0.05 0.28 -0.28 0.00 -1.00 0.00 0.00 57.85 56.80 1rf6 n ARG 193 Cb 0.67 -1.88 0.14 0.00 -1.05 0.00 0.00 32.46 30.34 1rf6 n ARG 193 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1rf6 n ASN 194 N 3.02 5.23 -0.14 2.89 6.94 -1.26 -4.65 115.26 127.30 1rf6 n ASN 194 Ca 0.22 -3.69 -0.04 0.00 -0.02 0.00 0.00 54.58 51.05 1rf6 n ASN 194 Cb 0.13 -0.88 0.16 0.00 -2.36 0.00 0.00 39.78 36.83 1rf6 n ASN 194 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1rf6 h HIS 195 N 1.39 0.90 -0.61 -2.53 3.86 -1.99 -2.32 115.15 113.85 1rf6 h HIS 195 Ca 0.61 -0.10 -0.09 0.00 -1.16 0.00 0.00 60.37 59.64 1rf6 h HIS 195 Cb 2.05 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 30.24 1rf6 h HIS 195 CO 1.52 0.78 0.04 1.15 0.86 0.00 0.00 177.93 182.27 1rf6 h THR 196 N 0.82 1.26 -0.25 2.45 2.02 -1.96 -1.58 112.91 115.66 1rf6 h THR 196 Ca 0.17 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1rf6 h THR 196 Cb 0.36 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1rf6 h THR 196 CO 0.01 0.40 0.13 -0.33 0.37 0.00 0.00 175.52 176.09 1rf6 h GLU 197 N 0.96 0.36 0.22 6.66 3.07 -1.86 -0.36 114.58 123.63 1rf6 h GLU 197 Ca 0.18 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1rf6 h GLU 197 Cb 0.50 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1rf6 h GLU 197 CO 0.02 0.35 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.44 1rf6 h ASP 198 N 0.28 -0.25 0.40 1.42 3.45 -1.29 -3.12 116.42 117.31 1rf6 h ASP 198 Ca 0.09 -0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1rf6 h ASP 198 Cb 0.10 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.93 1rf6 h ASP 198 CO -0.01 -0.10 -0.32 0.24 -1.57 0.00 0.00 179.24 177.48 1rf6 h MET 199 N -0.38 0.00 -0.43 3.56 2.86 -1.26 -1.93 114.93 117.36 1rf6 h MET 199 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1rf6 h MET 199 Cb 0.29 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1rf6 h MET 199 CO 0.05 0.32 0.26 1.25 1.06 0.00 0.00 176.91 179.85 1rf6 h LEU 200 N 0.00 0.51 -0.66 1.22 5.85 -1.03 -1.01 115.31 120.19 1rf6 h LEU 200 Ca -0.00 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1rf6 h LEU 200 Cb 0.61 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1rf6 h LEU 200 CO 0.04 0.41 0.16 1.56 -0.34 0.00 0.00 178.44 180.27 1rf6 h GLN 201 N 0.57 1.05 0.00 1.25 4.20 -1.40 0.70 115.11 121.48 1rf6 h GLN 201 Ca 0.15 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1rf6 h GLN 201 Cb -0.01 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1rf6 h GLN 201 CO -0.03 0.94 -0.13 0.37 -0.67 0.00 0.00 178.83 179.32 1rf6 h GLN 202 N 0.98 0.00 -0.73 1.46 4.15 -0.85 -1.83 115.11 118.28 1rf6 h GLN 202 Ca 0.21 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 1rf6 h GLN 202 Cb 0.36 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1rf6 h GLN 202 CO 0.00 0.13 0.05 1.19 -1.93 0.00 0.00 178.83 178.27 1rf6 n PHE 203 N -4.23 1.59 -0.88 3.99 3.01 -0.43 -4.90 117.46 115.62 1rf6 n PHE 203 Ca -0.03 -0.63 0.00 0.00 1.01 0.00 0.00 57.45 57.81 1rf6 n PHE 203 Cb 0.20 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1rf6 n PHE 203 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf6 n GLY 204 N 0.33 0.64 3.96 1.37 0.00 -0.69 -1.14 105.19 109.67 1rf6 n GLY 204 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 1rf6 n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf6 s GLY 205 N -1.97 1.76 0.02 -0.02 0.00 0.21 -4.91 107.32 102.41 1rf6 s GLY 205 Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 44.72 43.32 1rf6 s GLY 205 CO 0.00 -0.86 -0.06 0.30 0.00 0.00 0.00 173.10 172.49 1rf6 s HIS 206 N -3.31 0.51 0.23 1.90 3.76 -1.26 -4.18 115.29 112.93 1rf6 s HIS 206 Ca 0.66 -0.34 -0.18 0.00 -0.15 0.00 0.00 55.06 55.05 1rf6 s HIS 206 Cb -0.06 -0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.33 1rf6 s HIS 206 CO 0.46 -0.07 0.58 -0.48 -0.85 0.00 0.00 174.74 174.38 1rf6 s LEU 207 N -1.01 -0.03 -0.06 0.89 2.34 -1.26 -4.46 118.68 115.09 1rf6 s LEU 207 Ca -0.06 -0.56 0.04 0.00 0.06 0.00 0.00 54.13 53.60 1rf6 s LEU 207 Cb -0.07 2.29 0.00 0.00 -0.56 0.00 0.00 46.19 47.85 1rf6 s LEU 207 CO 0.00 -1.15 -0.18 -0.44 -1.06 0.00 0.00 176.35 173.51 1rf6 s SER 208 N -2.90 2.37 -0.23 1.48 0.01 -0.44 -4.98 113.70 109.00 1rf6 s SER 208 Ca 0.11 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1rf6 s SER 208 Cb -0.02 -0.85 0.05 0.00 0.21 0.00 0.00 66.02 65.41 1rf6 s SER 208 CO 0.02 0.14 -0.12 -0.69 0.41 0.00 0.00 173.24 172.99 1rf6 s VAL 209 N 0.22 1.93 -0.45 3.43 1.01 -1.26 -0.71 120.40 124.57 1rf6 s VAL 209 Ca -0.09 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1rf6 s VAL 209 Cb -0.14 -1.99 0.12 0.00 0.00 0.00 0.00 36.38 34.37 1rf6 s VAL 209 CO 0.04 0.12 0.18 -0.62 0.00 0.00 0.00 175.10 174.83 1rf6 s ASP 210 N 1.25 4.43 1.80 3.32 2.15 -0.27 -5.01 116.67 124.33 1rf6 s ASP 210 Ca -0.04 -2.67 0.00 0.00 0.43 0.00 0.00 52.55 50.27 1rf6 s ASP 210 Cb -0.18 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.86 1rf6 s ASP 210 CO -0.07 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 1rf6 n GLY 211 N 3.56 3.34 0.14 2.66 0.00 -1.26 -1.43 105.19 112.20 1rf6 n GLY 211 Ca 0.05 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1rf6 n GLY 211 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rf6 n LYS 212 N 13.60 0.66 -3.14 1.61 5.02 -1.26 -4.82 118.16 129.83 1rf6 n LYS 212 Ca 0.00 -0.29 -0.40 0.00 -2.02 0.00 0.00 58.31 55.60 1rf6 n LYS 212 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1rf6 n LYS 212 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rf6 s LYS 213 N -2.54 4.16 -0.21 1.97 2.20 -0.52 -0.97 119.74 123.83 1rf6 s LYS 213 Ca 0.26 0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 56.38 1rf6 s LYS 213 Cb 0.20 -3.61 -0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1rf6 s LYS 213 CO 0.50 -0.30 -0.07 0.42 -0.36 0.00 0.00 175.35 175.54 1rf6 s ILE 214 N 2.14 3.10 -0.22 5.43 1.01 0.17 -1.12 121.20 131.71 1rf6 s ILE 214 Ca 0.27 -0.59 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 1rf6 s ILE 214 Cb -0.16 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 1rf6 s ILE 214 CO 0.09 0.44 0.04 -0.89 0.00 0.00 0.00 174.94 174.62 1rf6 s THR 215 N 1.44 4.19 -0.14 2.92 2.01 0.11 0.38 115.64 126.56 1rf6 s THR 215 Ca 0.05 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1rf6 s THR 215 Cb -0.14 -2.92 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1rf6 s THR 215 CO -0.05 0.40 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 1rf6 s VAL 216 N 1.16 1.60 0.08 3.82 1.01 -0.26 -1.33 120.40 126.48 1rf6 s VAL 216 Ca 0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1rf6 s VAL 216 Cb -0.14 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 1rf6 s VAL 216 CO 0.02 0.46 0.51 -1.58 0.00 0.00 0.00 175.10 174.52 1rf6 s GLN 217 N 1.30 4.04 0.11 2.72 2.00 -1.26 -0.88 119.66 127.69 1rf6 s GLN 217 Ca 0.01 0.55 0.02 0.00 -2.00 0.00 0.00 55.36 53.95 1rf6 s GLN 217 Cb -0.14 -3.13 -0.04 0.00 0.80 0.00 0.00 33.01 30.50 1rf6 s GLN 217 CO -0.08 0.60 -0.08 0.20 -0.50 0.00 0.00 175.29 175.44 1rf6 s GLY 218 N -1.31 0.84 0.54 2.59 0.00 -0.38 -4.55 107.32 105.05 1rf6 s GLY 218 Ca 0.30 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.58 1rf6 s GLY 218 CO 0.18 -1.48 0.86 -4.14 0.00 0.00 0.00 173.10 168.51 1rf6 s PRO 219 N -3.78 3.29 0.17 2.90 0.02 -1.05 -1.78 135.00 134.78 1rf6 s PRO 219 Ca 0.13 0.19 0.07 0.00 0.02 0.00 0.00 61.00 61.40 1rf6 s PRO 219 Cb 0.04 -2.30 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 1rf6 s PRO 219 CO -0.03 -0.45 -0.14 -0.65 -0.33 0.00 0.00 177.00 175.40 1rf6 s GLN 220 N -4.90 1.19 -0.07 5.54 -0.21 -0.70 -5.02 119.66 115.49 1rf6 s GLN 220 Ca 0.51 -1.45 0.05 0.00 0.02 0.00 0.00 55.36 54.49 1rf6 s GLN 220 Cb -0.10 -0.99 -0.01 0.00 1.00 0.00 0.00 33.01 32.91 1rf6 s GLN 220 CO 0.46 0.17 -0.23 0.21 -2.12 0.00 0.00 175.29 173.78 1rf6 s LYS 221 N -3.32 2.69 0.36 2.91 2.20 -1.26 -4.92 119.74 118.39 1rf6 s LYS 221 Ca 0.17 -0.87 0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1rf6 s LYS 221 Cb -0.02 -2.24 -0.04 0.00 -1.51 0.00 0.00 37.83 34.02 1rf6 s LYS 221 CO 0.05 0.36 0.16 -0.51 -0.36 0.00 0.00 175.35 175.04 1rf6 s LEU 222 N -0.09 3.23 -0.05 5.43 1.43 -1.26 -4.69 118.68 122.69 1rf6 s LEU 222 Ca -0.05 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1rf6 s LEU 222 Cb -0.14 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1rf6 s LEU 222 CO 0.04 -0.36 -0.18 -0.89 0.23 0.00 0.00 176.35 175.19 1rf6 s THR 223 N -2.46 1.53 0.50 5.49 2.01 -0.29 -1.06 115.64 121.36 1rf6 s THR 223 Ca 0.39 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.41 1rf6 s THR 223 Cb -0.01 -1.31 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 1rf6 s THR 223 CO 0.23 0.44 0.74 0.61 -0.69 0.00 0.00 174.62 175.94 1rf6 n GLY 224 N 3.14 -0.94 3.29 4.40 0.00 -0.37 -4.67 105.19 110.05 1rf6 n GLY 224 Ca -0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1rf6 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf6 s GLN 225 N -2.08 1.49 -0.28 1.61 -1.52 -1.19 -4.85 119.66 112.84 1rf6 s GLN 225 Ca 0.67 -1.83 -0.11 0.00 -1.95 0.00 0.00 55.36 52.14 1rf6 s GLN 225 Cb -0.50 0.01 -0.05 0.00 -0.22 0.00 0.00 33.01 32.25 1rf6 s GLN 225 CO 0.54 -0.44 0.19 0.21 -0.25 0.00 0.00 175.29 175.55 1rf6 s LYS 226 N -3.89 3.95 -0.19 2.91 2.20 -1.26 -1.20 119.74 122.26 1rf6 s LYS 226 Ca 0.37 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1rf6 s LYS 226 Cb 0.06 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 1rf6 s LYS 226 CO 0.17 -0.18 -0.09 0.08 -0.36 0.00 0.00 175.35 174.96 1rf6 s VAL 227 N 1.77 3.08 -0.31 4.02 1.01 0.13 -4.96 120.40 125.13 1rf6 s VAL 227 Ca 0.07 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1rf6 s VAL 227 Cb -0.16 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1rf6 s VAL 227 CO 0.11 0.47 0.10 0.68 0.00 0.00 0.00 175.10 176.46 1rf6 s VAL 228 N 1.15 3.98 -0.14 2.92 -7.23 -1.26 0.02 120.40 119.84 1rf6 s VAL 228 Ca 0.01 -0.82 -0.26 0.00 -1.81 0.00 0.00 61.98 59.11 1rf6 s VAL 228 Cb -0.14 -3.12 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1rf6 s VAL 228 CO -0.03 -0.01 0.84 -0.69 -0.31 0.00 0.00 175.10 174.90 1rf6 s VAL 229 N 1.48 4.89 0.69 1.32 1.01 -0.60 -4.97 120.40 124.22 1rf6 s VAL 229 Ca 0.01 1.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 1rf6 s VAL 229 Cb -0.18 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1rf6 s VAL 229 CO 0.03 0.06 1.07 -2.16 0.00 0.00 0.00 175.10 174.10 1rf6 s PRO 230 N 1.90 2.99 0.45 2.72 0.04 -1.26 -4.77 135.00 137.08 1rf6 s PRO 230 Ca 0.40 0.67 -0.25 0.00 0.04 0.00 0.00 61.00 61.86 1rf6 s PRO 230 Cb -0.17 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 1rf6 s PRO 230 CO 0.15 -0.99 1.38 0.20 0.04 0.00 0.00 177.00 177.78 1rf6 s GLY 231 N -4.13 2.91 -0.13 0.56 0.00 0.16 -0.97 107.32 105.73 1rf6 s GLY 231 Ca 0.58 1.38 -0.29 0.00 0.00 0.00 0.00 44.72 46.39 1rf6 s GLY 231 CO 0.53 1.98 1.03 -0.35 0.00 0.00 0.00 173.10 176.29 1rf6 s ASP 232 N -0.62 7.20 0.33 1.64 3.68 -0.55 0.45 116.67 128.79 1rf6 s ASP 232 Ca 0.61 1.52 0.04 0.00 2.13 0.00 0.00 52.55 56.85 1rf6 s ASP 232 Cb -0.42 -2.55 0.57 0.00 -1.45 0.00 0.00 42.92 39.07 1rf6 s ASP 232 CO 0.53 -0.51 1.84 0.40 0.13 0.00 0.00 175.17 177.56 1rf6 h ILE 233 N 5.18 1.21 0.00 4.11 5.03 -1.92 -1.20 117.51 129.92 1rf6 h ILE 233 Ca -0.28 -0.90 -0.03 0.00 -0.12 0.00 0.00 64.86 63.53 1rf6 h ILE 233 Cb 1.13 1.07 -0.00 0.00 -3.03 0.00 0.00 36.82 35.99 1rf6 h ILE 233 CO 0.89 0.30 -0.13 0.28 -0.68 0.00 0.00 178.15 178.81 1rf6 h SER 234 N 0.46 0.00 0.35 1.72 0.02 -1.91 0.33 113.55 114.51 1rf6 h SER 234 Ca 0.09 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.72 1rf6 h SER 234 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1rf6 h SER 234 CO 0.02 0.13 -1.63 0.28 -1.14 0.00 0.00 176.83 174.49 1rf6 h SER 235 N 0.00 0.47 0.35 3.07 0.02 -1.73 -3.30 113.55 112.43 1rf6 h SER 235 Ca -0.00 -0.69 -0.06 0.00 -0.84 0.00 0.00 61.79 60.20 1rf6 h SER 235 Cb 0.28 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1rf6 h SER 235 CO 0.02 1.58 -0.30 0.00 -1.14 0.00 0.00 176.83 176.98 1rf6 h ALA 236 N 0.35 1.43 -0.86 3.77 0.00 -0.43 -2.99 119.26 120.54 1rf6 h ALA 236 Ca -0.28 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.53 1rf6 h ALA 236 Cb 2.05 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1rf6 h ALA 236 CO 0.17 0.37 0.57 0.00 0.00 0.00 0.00 179.25 180.36 1rf6 h ALA 237 N 1.70 2.14 -0.47 0.00 0.00 -0.46 -0.17 119.26 122.00 1rf6 h ALA 237 Ca -0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1rf6 h ALA 237 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1rf6 h ALA 237 CO 0.04 -0.40 0.10 0.74 0.00 0.00 0.00 179.25 179.73 1rf6 h PHE 238 N 0.44 0.74 0.00 0.00 -1.00 -1.71 -2.10 116.94 113.32 1rf6 h PHE 238 Ca 0.44 -0.06 -0.24 0.00 2.81 0.00 0.00 57.97 60.92 1rf6 h PHE 238 Cb 1.03 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 40.34 1rf6 h PHE 238 CO -0.00 0.64 -1.24 -1.49 -1.61 0.00 0.00 178.31 174.60 1rf6 h TRP 239 N 0.70 0.02 -0.37 -0.55 -0.00 -1.28 -1.88 115.95 112.59 1rf6 h TRP 239 Ca 0.15 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 1rf6 h TRP 239 Cb 0.28 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.42 1rf6 h TRP 239 CO 0.01 1.01 0.20 -0.07 -0.00 0.00 0.00 178.44 179.60 1rf6 h LEU 240 N 0.00 0.46 0.21 -4.49 3.38 -0.92 -0.01 115.31 113.94 1rf6 h LEU 240 Ca -0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1rf6 h LEU 240 Cb 1.86 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1rf6 h LEU 240 CO 0.12 0.41 -0.10 0.58 0.09 0.00 0.00 178.44 179.54 1rf6 h VAL 241 N 0.47 0.88 -0.93 1.22 2.07 -1.44 -2.74 116.25 115.78 1rf6 h VAL 241 Ca 0.13 -0.70 0.18 0.00 0.82 0.00 0.00 66.70 67.13 1rf6 h VAL 241 Cb 0.05 1.27 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1rf6 h VAL 241 CO -0.02 0.15 0.51 0.00 0.02 0.00 0.00 177.57 178.24 1rf6 h ALA 242 N 0.03 1.49 0.00 1.67 0.00 -1.27 0.18 119.26 121.37 1rf6 h ALA 242 Ca -0.03 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1rf6 h ALA 242 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1rf6 h ALA 242 CO 0.05 -0.11 -0.34 0.78 0.00 0.00 0.00 179.25 179.63 1rf6 h GLY 243 N 0.66 0.00 1.41 0.00 0.00 -0.95 -1.02 103.07 103.17 1rf6 h GLY 243 Ca 0.53 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.56 1rf6 h GLY 243 CO -0.40 0.00 -1.39 1.41 0.00 0.00 0.00 176.54 176.16 1rf6 h LEU 244 N 0.00 0.61 0.00 3.11 3.38 -0.40 -2.06 115.31 119.96 1rf6 h LEU 244 Ca -0.00 -0.68 -0.11 0.00 0.09 0.00 0.00 57.88 57.18 1rf6 h LEU 244 Cb 0.69 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1rf6 h LEU 244 CO 0.04 1.53 -1.73 -0.38 0.09 0.00 0.00 178.44 178.00 1rf6 n ILE 245 N -3.61 0.69 -2.80 1.22 -0.00 -0.29 -1.09 119.36 113.49 1rf6 n ILE 245 Ca -0.13 -0.63 -0.33 0.00 -0.00 0.00 0.00 62.75 61.66 1rf6 n ILE 245 Cb 1.06 -0.35 -0.07 0.00 -0.00 0.00 0.00 39.64 40.29 1rf6 n ILE 245 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1rf6 s ALA 246 N -3.14 3.04 0.58 -1.39 0.00 -0.39 -4.96 121.76 115.50 1rf6 s ALA 246 Ca -0.06 0.43 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 1rf6 s ALA 246 Cb 0.10 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1rf6 s ALA 246 CO 0.85 0.10 1.05 -1.25 0.00 0.00 0.00 175.76 176.51 1rf6 s PRO 247 N -3.10 3.37 -1.31 0.00 0.04 -1.26 -4.09 135.00 128.64 1rf6 s PRO 247 Ca 0.62 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.63 1rf6 s PRO 247 Cb -0.10 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1rf6 s PRO 247 CO 0.14 -0.77 0.50 0.09 0.04 0.00 0.00 177.00 177.00 1rf6 n ASN 248 N -1.95 -2.67 -4.25 6.66 3.02 -1.26 -3.92 115.26 110.88 1rf6 n ASN 248 Ca 0.09 -1.27 -0.21 0.00 -0.03 0.00 0.00 54.58 53.16 1rf6 n ASN 248 Cb 0.53 -1.83 -0.12 0.00 -0.61 0.00 0.00 39.78 37.75 1rf6 n ASN 248 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rf6 s SER 249 N -3.80 2.20 -0.29 6.41 0.01 -1.26 -3.49 113.70 113.48 1rf6 s SER 249 Ca 0.34 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 1rf6 s SER 249 Cb -0.18 -0.10 0.17 0.00 0.21 0.00 0.00 66.02 66.12 1rf6 s SER 249 CO 0.97 -0.04 0.56 -0.60 0.41 0.00 0.00 173.24 174.54 1rf6 s ARG 250 N -2.16 0.52 0.02 12.44 3.52 -0.47 -1.85 118.95 130.97 1rf6 s ARG 250 Ca 0.06 0.98 0.07 0.00 -0.13 0.00 0.00 55.73 56.70 1rf6 s ARG 250 Cb -0.08 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 1rf6 s ARG 250 CO 0.04 -0.56 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.28 1rf6 s LEU 251 N 2.80 2.61 -0.21 -0.88 1.43 -0.48 -3.36 118.68 120.58 1rf6 s LEU 251 Ca 0.16 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1rf6 s LEU 251 Cb -0.15 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.59 1rf6 s LEU 251 CO -0.20 0.27 -0.14 0.54 0.23 0.00 0.00 176.35 177.06 1rf6 s VAL 252 N -0.88 1.92 -0.37 -1.59 0.11 -0.73 -1.54 120.40 117.33 1rf6 s VAL 252 Ca 0.14 -1.15 -0.10 0.00 -2.93 0.00 0.00 61.98 57.94 1rf6 s VAL 252 Cb -0.10 -1.91 0.03 0.00 -1.53 0.00 0.00 36.38 32.87 1rf6 s VAL 252 CO 0.04 0.24 0.19 -0.76 -3.33 0.00 0.00 175.10 171.48 1rf6 s LEU 253 N 1.28 4.67 0.39 2.54 2.01 0.11 -0.86 118.68 128.81 1rf6 s LEU 253 Ca -0.01 -1.06 -0.03 0.00 0.01 0.00 0.00 54.13 53.04 1rf6 s LEU 253 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 46.19 44.01 1rf6 s LEU 253 CO -0.09 -0.39 0.64 -1.10 1.01 0.00 0.00 176.35 176.42 1rf6 s GLN 254 N 1.51 3.54 -1.48 1.70 -0.21 -0.77 0.18 119.66 124.13 1rf6 s GLN 254 Ca 0.01 -0.08 -0.08 0.00 0.02 0.00 0.00 55.36 55.24 1rf6 s GLN 254 Cb -0.19 -2.55 0.06 0.00 1.00 0.00 0.00 33.01 31.32 1rf6 s GLN 254 CO 0.06 0.03 0.73 -1.71 -2.12 0.00 0.00 175.29 172.28 1rf6 n ASN 255 N -1.80 -2.49 -4.67 5.90 5.15 -1.16 -4.40 115.26 111.78 1rf6 n ASN 255 Ca -0.02 -0.90 -0.37 0.00 -0.60 0.00 0.00 54.58 52.69 1rf6 n ASN 255 Cb 0.55 -3.47 -0.08 0.00 -0.53 0.00 0.00 39.78 36.25 1rf6 n ASN 255 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rf6 s VAL 256 N -3.56 5.29 0.26 3.44 0.11 -0.49 0.38 120.40 125.83 1rf6 s VAL 256 Ca 0.36 0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 59.54 1rf6 s VAL 256 Cb -0.19 -3.61 -0.14 0.00 -1.53 0.00 0.00 36.38 30.92 1rf6 s VAL 256 CO 0.86 0.31 1.19 0.61 -3.33 0.00 0.00 175.10 174.73 1rf6 n GLY 257 N 4.08 0.19 0.55 6.54 0.00 0.17 -1.66 105.19 115.06 1rf6 n GLY 257 Ca -0.12 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.38 1rf6 n GLY 257 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rf6 n ILE 258 N 0.95 1.64 -1.67 -0.61 0.13 0.27 -4.49 119.36 115.59 1rf6 n ILE 258 Ca 0.11 -2.39 -0.47 0.00 -1.10 0.00 0.00 62.75 58.89 1rf6 n ILE 258 Cb 0.31 -0.02 -0.04 0.00 -0.84 0.00 0.00 39.64 39.05 1rf6 n ILE 258 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1rf6 n ASN 259 N -0.91 3.14 -0.06 9.51 2.85 -1.26 -4.82 115.26 123.71 1rf6 n ASN 259 Ca 0.15 1.06 0.25 0.00 -0.11 0.00 0.00 54.58 55.92 1rf6 n ASN 259 Cb 0.74 -1.41 0.72 0.00 1.24 0.00 0.00 39.78 41.07 1rf6 n ASN 259 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1rf6 h GLU 260 N 6.69 0.00 -0.12 1.20 9.09 -1.97 0.15 114.58 129.62 1rf6 h GLU 260 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1rf6 h GLU 260 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1rf6 h GLU 260 CO 0.90 0.00 0.00 0.25 0.05 0.00 0.00 179.01 180.21 1rf6 n THR 261 N -3.97 0.16 -0.27 -1.06 -2.24 -1.26 -3.56 114.28 102.08 1rf6 n THR 261 Ca 0.14 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1rf6 n THR 261 Cb 0.84 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1rf6 n THR 261 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rf6 n ARG 262 N -0.14 1.29 -0.66 -0.78 5.12 0.50 -4.28 116.66 117.70 1rf6 n ARG 262 Ca 0.11 -0.16 -0.08 0.00 -1.93 0.00 0.00 57.85 55.79 1rf6 n ARG 262 Cb 0.17 -0.56 0.15 0.00 -1.16 0.00 0.00 32.46 31.06 1rf6 n ARG 262 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rf6 n THR 263 N -0.23 2.08 -0.34 0.55 -2.24 -1.06 -4.53 114.28 108.51 1rf6 n THR 263 Ca 0.00 -1.03 0.06 0.00 -2.27 0.00 0.00 64.05 60.81 1rf6 n THR 263 Cb 0.07 -0.58 0.24 0.00 -2.10 0.00 0.00 70.33 67.96 1rf6 n THR 263 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rf6 h GLY 264 N 2.99 1.47 2.00 3.38 0.00 -1.27 -1.59 103.07 110.05 1rf6 h GLY 264 Ca 0.25 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1rf6 h GLY 264 CO 0.53 0.24 -0.17 1.19 0.00 0.00 0.00 176.54 178.34 1rf6 h ILE 265 N 1.02 0.95 -0.40 2.60 2.10 -1.80 -2.23 117.51 119.77 1rf6 h ILE 265 Ca 0.44 -0.60 -0.06 0.00 1.08 0.00 0.00 64.86 65.73 1rf6 h ILE 265 Cb 0.34 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1rf6 h ILE 265 CO -0.20 0.16 0.02 0.40 -1.08 0.00 0.00 178.15 177.46 1rf6 h ILE 266 N 0.00 1.25 -0.77 2.19 2.04 -1.64 -0.22 117.51 120.37 1rf6 h ILE 266 Ca -0.00 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 1rf6 h ILE 266 Cb 0.32 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1rf6 h ILE 266 CO 0.02 0.32 0.32 0.44 0.00 0.00 0.00 178.15 179.25 1rf6 h ASP 267 N 0.52 1.05 -0.14 1.72 3.32 -1.39 -1.87 116.42 119.61 1rf6 h ASP 267 Ca 0.12 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1rf6 h ASP 267 Cb 0.43 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1rf6 h ASP 267 CO 0.02 0.92 0.04 0.58 -1.72 0.00 0.00 179.24 179.08 1rf6 h VAL 268 N 1.12 1.18 -0.97 -1.35 2.07 -1.19 -0.10 116.25 117.01 1rf6 h VAL 268 Ca 0.26 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.28 1rf6 h VAL 268 Cb 0.20 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1rf6 h VAL 268 CO -0.02 0.17 0.63 0.40 0.02 0.00 0.00 177.57 178.77 1rf6 h ILE 269 N 0.05 1.07 0.18 4.57 2.04 -0.82 -0.13 117.51 124.47 1rf6 h ILE 269 Ca 0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1rf6 h ILE 269 Cb 0.23 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1rf6 h ILE 269 CO -0.00 0.20 -0.09 0.03 0.00 0.00 0.00 178.15 178.30 1rf6 h ARG 270 N 1.11 -0.23 -0.90 2.37 -0.00 -1.08 0.41 114.38 116.07 1rf6 h ARG 270 Ca 0.42 0.02 0.17 0.00 -0.50 0.00 0.00 59.98 60.08 1rf6 h ARG 270 Cb 0.20 0.05 -0.10 0.00 0.00 0.00 0.00 29.97 30.12 1rf6 h ARG 270 CO -0.17 0.10 0.48 0.00 0.00 0.00 0.00 179.97 180.38 1rf6 h ALA 271 N 0.15 1.40 0.00 0.04 0.00 -0.54 0.15 119.26 120.46 1rf6 h ALA 271 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rf6 h ALA 271 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rf6 h ALA 271 CO 0.04 -0.11 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 1rf6 n MET 272 N -4.86 0.11 -0.83 0.00 2.81 -0.10 -4.88 117.12 109.36 1rf6 n MET 272 Ca 0.19 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1rf6 n MET 272 Cb 0.50 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 1rf6 n MET 272 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 273 N 0.66 0.56 3.80 3.03 0.00 0.51 -1.37 105.19 112.38 1rf6 n GLY 273 Ca 0.07 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1rf6 n GLY 273 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf6 s GLY 274 N -2.75 2.49 -0.65 -0.02 0.00 0.09 -4.75 107.32 101.73 1rf6 s GLY 274 Ca 0.00 0.60 -0.27 0.00 0.00 0.00 0.00 44.72 45.06 1rf6 s GLY 274 CO 0.00 0.92 1.19 0.54 0.00 0.00 0.00 173.10 175.76 1rf6 s LYS 275 N -3.29 3.33 -0.07 2.90 1.02 -1.26 -4.72 119.74 117.65 1rf6 s LYS 275 Ca 0.67 -0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.60 1rf6 s LYS 275 Cb -0.17 -4.11 0.01 0.00 -0.52 0.00 0.00 37.83 33.05 1rf6 s LYS 275 CO 0.21 -1.88 -0.12 -1.17 -0.92 0.00 0.00 175.35 171.47 1rf6 s LEU 276 N 5.15 1.62 -0.08 3.17 2.96 -1.26 -2.63 118.68 127.60 1rf6 s LEU 276 Ca 0.37 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1rf6 s LEU 276 Cb -0.09 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.75 1rf6 s LEU 276 CO 0.19 0.02 -0.22 -0.70 -1.32 0.00 0.00 176.35 174.32 1rf6 s GLU 277 N 0.77 2.71 -0.23 1.98 2.12 0.35 -4.98 118.70 121.42 1rf6 s GLU 277 Ca -0.12 -0.81 -0.03 0.00 0.36 0.00 0.00 54.97 54.37 1rf6 s GLU 277 Cb -0.16 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1rf6 s GLU 277 CO 0.02 0.20 -0.04 0.42 -0.54 0.00 0.00 175.26 175.32 1rf6 s ILE 278 N 0.28 3.22 0.31 -3.70 1.01 -1.26 -0.53 121.20 120.53 1rf6 s ILE 278 Ca -0.15 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1rf6 s ILE 278 Cb -0.17 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 1rf6 s ILE 278 CO 0.07 0.34 0.18 0.35 0.00 0.00 0.00 174.94 175.87 1rf6 n THR 279 N 4.76 0.00 -4.11 2.92 -2.24 -0.69 -4.91 114.28 110.01 1rf6 n THR 279 Ca -0.18 -1.99 -0.30 0.00 -2.27 0.00 0.00 64.05 59.32 1rf6 n THR 279 Cb 0.49 0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 1rf6 n THR 279 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rf6 n GLU 280 N -0.64 -2.78 -2.46 -0.78 -0.58 -1.26 -0.89 120.64 111.25 1rf6 n GLU 280 Ca 0.01 0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 56.66 1rf6 n GLU 280 Cb 0.50 -4.53 -0.03 0.00 -0.57 0.00 0.00 31.44 26.81 1rf6 n GLU 280 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rf6 s ILE 281 N -3.82 4.17 -0.57 -3.67 1.01 -1.26 -4.15 121.20 112.90 1rf6 s ILE 281 Ca 0.24 1.54 -0.09 0.00 0.00 0.00 0.00 60.65 62.35 1rf6 s ILE 281 Cb -0.13 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.50 1rf6 s ILE 281 CO 0.92 0.08 0.45 -0.62 0.00 0.00 0.00 174.94 175.77 1rf6 s ASP 282 N 1.20 5.78 0.57 3.58 -1.08 -0.12 -4.95 116.67 121.66 1rf6 s ASP 282 Ca 0.57 -2.28 0.34 0.00 -0.52 0.00 0.00 52.55 50.66 1rf6 s ASP 282 Cb -0.27 -2.01 1.84 0.00 -1.46 0.00 0.00 42.92 41.01 1rf6 s ASP 282 CO 0.27 -0.59 2.02 1.55 0.52 0.00 0.00 175.17 178.94 1rf6 h PRO 283 N 7.99 0.00 0.09 4.34 0.13 -1.94 0.24 132.00 142.85 1rf6 h PRO 283 Ca -0.11 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.65 1rf6 h PRO 283 Cb 1.04 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1rf6 h PRO 283 CO 0.81 0.00 -2.11 0.28 -0.23 0.00 0.00 178.00 176.74 1rf6 n VAL 284 N -2.78 1.71 0.77 1.56 0.31 -1.26 -4.22 118.33 114.41 1rf6 n VAL 284 Ca -0.02 -0.63 0.12 0.00 -0.01 0.00 0.00 64.34 63.80 1rf6 n VAL 284 Cb 0.17 -1.66 0.24 0.00 -0.91 0.00 0.00 33.84 31.67 1rf6 n VAL 284 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rf6 n ALA 285 N -3.07 3.11 -3.30 3.52 0.00 -1.08 -4.97 120.51 114.72 1rf6 n ALA 285 Ca -0.35 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 52.65 1rf6 n ALA 285 Cb 1.03 -1.18 0.07 0.00 0.00 0.00 0.00 19.45 19.37 1rf6 n ALA 285 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rf6 n LYS 286 N -1.83 -3.08 -4.23 0.00 5.02 0.83 -4.81 118.16 110.06 1rf6 n LYS 286 Ca 0.04 0.85 -0.13 0.00 -2.02 0.00 0.00 58.31 57.06 1rf6 n LYS 286 Cb 0.39 -5.80 -0.10 0.00 -0.02 0.00 0.00 35.03 29.50 1rf6 n LYS 286 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rf6 s SER 287 N -3.58 1.16 0.13 4.39 1.04 -1.12 0.97 113.70 116.69 1rf6 s SER 287 Ca 0.37 -1.15 -0.26 0.00 0.48 0.00 0.00 55.95 55.39 1rf6 s SER 287 Cb -0.05 0.12 0.07 0.00 0.10 0.00 0.00 66.02 66.26 1rf6 s SER 287 CO 0.74 -0.56 0.98 0.00 0.98 0.00 0.00 173.24 175.38 1rf6 s ALA 288 N -3.67 -1.70 -0.16 5.32 0.00 -0.66 -0.94 121.76 119.94 1rf6 s ALA 288 Ca 0.22 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 1rf6 s ALA 288 Cb 0.06 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1rf6 s ALA 288 CO 0.03 -1.03 0.06 0.95 0.00 0.00 0.00 175.76 175.77 1rf6 s THR 289 N -3.21 4.82 -0.15 0.00 -4.23 -0.07 -1.40 115.64 111.40 1rf6 s THR 289 Ca 0.12 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 1rf6 s THR 289 Cb -0.01 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1rf6 s THR 289 CO 0.01 0.50 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.75 1rf6 s LEU 290 N -0.01 2.90 -0.13 4.79 1.02 0.13 -1.71 118.68 125.67 1rf6 s LEU 290 Ca 0.06 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.96 1rf6 s LEU 290 Cb -0.12 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.42 1rf6 s LEU 290 CO 0.01 0.14 -0.21 -0.63 0.02 0.00 0.00 176.35 175.68 1rf6 s ILE 291 N 0.54 1.94 0.13 -0.59 1.01 0.32 0.04 121.20 124.59 1rf6 s ILE 291 Ca -0.06 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.77 1rf6 s ILE 291 Cb -0.15 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1rf6 s ILE 291 CO 0.03 0.53 -0.22 0.54 0.00 0.00 0.00 174.94 175.82 1rf6 s VAL 292 N 0.80 1.97 0.07 2.92 0.11 -0.59 -0.49 120.40 125.18 1rf6 s VAL 292 Ca -0.08 -1.74 0.02 0.00 -2.93 0.00 0.00 61.98 57.25 1rf6 s VAL 292 Cb -0.16 -1.81 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1rf6 s VAL 292 CO -0.01 -0.08 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.00 1rf6 s GLU 293 N -2.22 0.67 0.05 1.54 2.02 -1.08 -1.38 118.70 118.30 1rf6 s GLU 293 Ca 0.12 -1.01 -0.37 0.00 0.02 0.00 0.00 54.97 53.72 1rf6 s GLU 293 Cb -0.09 -0.26 -0.17 0.00 0.10 0.00 0.00 34.13 33.71 1rf6 s GLU 293 CO 0.06 0.02 1.35 0.43 0.02 0.00 0.00 175.26 177.15 1rf6 n SER 294 N 0.80 1.60 -4.09 -0.19 7.64 -0.77 -4.29 113.62 114.31 1rf6 n SER 294 Ca -0.18 1.12 -0.08 0.00 1.01 0.00 0.00 58.87 60.74 1rf6 n SER 294 Cb 0.57 -1.17 -0.10 0.00 -1.01 0.00 0.00 64.21 62.51 1rf6 n SER 294 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rf6 s SER 295 N 0.69 0.40 -0.26 6.43 0.01 -0.25 -4.87 113.70 115.85 1rf6 s SER 295 Ca 0.86 -1.03 -0.10 0.00 1.31 0.00 0.00 55.95 56.99 1rf6 s SER 295 Cb -0.98 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1rf6 s SER 295 CO 0.49 -0.65 0.15 -1.81 0.41 0.00 0.00 173.24 171.82 1rf6 s ASP 296 N -2.95 5.78 0.24 2.44 -0.00 -1.26 -4.74 116.67 116.17 1rf6 s ASP 296 Ca 0.12 -0.04 0.07 0.00 -0.00 0.00 0.00 52.55 52.71 1rf6 s ASP 296 Cb 0.08 -2.06 -0.04 0.00 -0.00 0.00 0.00 42.92 40.90 1rf6 s ASP 296 CO -0.06 -0.01 0.12 -0.76 -0.00 0.00 0.00 175.17 174.45 1rf6 s LEU 297 N 1.53 3.62 0.12 1.23 2.01 -1.26 -4.73 118.68 121.19 1rf6 s LEU 297 Ca 0.07 -0.35 0.10 0.00 0.01 0.00 0.00 54.13 53.96 1rf6 s LEU 297 Cb -0.15 -2.16 -0.04 0.00 0.01 0.00 0.00 46.19 43.84 1rf6 s LEU 297 CO 0.07 -0.00 -0.24 -0.54 1.01 0.00 0.00 176.35 176.65 1rf6 s LYS 298 N -3.63 1.56 0.91 1.70 3.01 -0.47 -0.24 119.74 122.58 1rf6 s LYS 298 Ca 0.32 -1.27 -0.11 0.00 -1.01 0.00 0.00 55.97 53.89 1rf6 s LYS 298 Cb -0.08 -1.98 0.14 0.00 -1.01 0.00 0.00 37.83 34.90 1rf6 s LYS 298 CO 0.23 0.47 1.09 0.20 0.51 0.00 0.00 175.35 177.85 1rf6 s GLY 299 N -2.03 1.63 0.29 -3.33 0.00 -0.00 -4.40 107.32 99.48 1rf6 s GLY 299 Ca 0.15 0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.86 1rf6 s GLY 299 CO 0.07 0.56 0.51 -1.08 0.00 0.00 0.00 173.10 173.17 1rf6 s THR 300 N -2.83 0.00 -0.17 0.90 -1.32 -1.21 -4.84 115.64 106.17 1rf6 s THR 300 Ca 0.64 -1.42 -0.06 0.00 -1.21 0.00 0.00 61.69 59.65 1rf6 s THR 300 Cb -0.19 -2.41 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1rf6 s THR 300 CO 0.58 0.00 0.02 -0.70 -2.21 0.00 0.00 174.62 172.31 1rf6 s GLU 301 N -3.54 3.80 -0.27 7.08 2.12 -1.26 -1.89 118.70 124.75 1rf6 s GLU 301 Ca 0.24 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.18 1rf6 s GLU 301 Cb -0.01 -3.07 0.07 0.00 0.26 0.00 0.00 34.13 31.37 1rf6 s GLU 301 CO 0.13 0.29 -0.06 0.42 -0.54 0.00 0.00 175.26 175.49 1rf6 s ILE 302 N 0.28 1.97 0.16 -3.70 1.01 0.47 -4.97 121.20 116.42 1rf6 s ILE 302 Ca 0.01 -1.63 -0.04 0.00 0.00 0.00 0.00 60.65 58.99 1rf6 s ILE 302 Cb -0.13 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 40.17 1rf6 s ILE 302 CO 0.01 -0.16 0.28 0.00 0.00 0.00 0.00 174.94 175.07 1rf6 n GLY 304 N -0.23 0.00 4.44 0.00 0.00 -1.26 -2.48 105.19 105.66 1rf6 n GLY 304 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1rf6 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 n ALA 305 N 0.00 0.00 0.09 4.61 0.00 -1.26 -4.52 120.51 119.42 1rf6 n ALA 305 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1rf6 n ALA 305 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1rf6 n ALA 305 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rf6 h LEU 306 N 0.00 0.16 -0.33 0.00 5.85 -1.89 -3.37 115.31 115.73 1rf6 h LEU 306 Ca 0.00 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1rf6 h LEU 306 Cb 0.00 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 1rf6 h LEU 306 CO 0.00 0.95 -0.26 0.40 -0.34 0.00 0.00 178.44 179.20 1rf6 h ILE 307 N 0.06 0.34 0.00 4.05 1.08 -1.80 -0.45 117.51 120.80 1rf6 h ILE 307 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1rf6 h ILE 307 Cb 1.51 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 35.60 1rf6 h ILE 307 CO 0.13 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.78 1rf6 n PRO 308 N -5.39 0.05 0.00 2.37 -0.04 -1.26 0.18 135.00 130.90 1rf6 n PRO 308 Ca 0.01 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 1rf6 n PRO 308 Cb 0.31 -1.60 0.39 0.00 -0.04 0.00 0.00 33.50 32.56 1rf6 n PRO 308 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rf6 n ARG 309 N -1.69 0.64 -0.39 0.54 1.74 -0.19 -4.27 116.66 113.04 1rf6 n ARG 309 Ca 0.02 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1rf6 n ARG 309 Cb 0.14 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1rf6 n ARG 309 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rf6 n LEU 310 N -0.87 0.00 -0.30 0.55 -0.00 -0.71 -0.85 117.00 114.82 1rf6 n LEU 310 Ca 0.11 -0.85 0.12 0.00 -0.00 0.00 0.00 56.01 55.39 1rf6 n LEU 310 Cb 0.34 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.01 1rf6 n LEU 310 CO 0.27 0.60 0.86 0.16 -0.00 0.00 0.00 177.39 179.28 1rf6 h ILE 311 N 5.25 0.22 0.00 1.47 3.07 -0.45 0.34 117.51 127.41 1rf6 h ILE 311 Ca 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.37 1rf6 h ILE 311 Cb 1.13 0.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.78 1rf6 h ILE 311 CO 0.00 0.02 -0.02 0.47 -1.05 0.00 0.00 178.15 177.57 1rf6 n ASP 312 N -5.35 0.23 -0.30 2.16 8.00 -1.26 -3.46 116.55 116.57 1rf6 n ASP 312 Ca 0.20 0.49 0.12 0.00 0.71 0.00 0.00 54.79 56.32 1rf6 n ASP 312 Cb 0.66 -0.54 0.26 0.00 -0.02 0.00 0.00 41.12 41.48 1rf6 n ASP 312 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rf6 n GLU 313 N -1.70 0.91 -0.07 -1.24 4.71 0.12 -4.33 120.64 119.03 1rf6 n GLU 313 Ca 0.07 -0.61 0.05 0.00 -0.01 0.00 0.00 57.16 56.65 1rf6 n GLU 313 Cb 0.36 -1.49 0.39 0.00 -1.01 0.00 0.00 31.44 29.70 1rf6 n GLU 313 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1rf6 h LEU 314 N 1.49 0.56 -0.27 -4.62 3.38 -1.51 0.58 115.31 114.92 1rf6 h LEU 314 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1rf6 h LEU 314 Cb 0.57 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1rf6 h LEU 314 CO 0.00 0.39 0.12 -0.65 0.09 0.00 0.00 178.44 178.39 1rf6 h PRO 315 N 0.65 0.39 -0.08 1.13 0.11 -1.85 -0.29 132.00 132.06 1rf6 h PRO 315 Ca 0.21 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 1rf6 h PRO 315 Cb 0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1rf6 h PRO 315 CO -0.05 0.41 -0.61 -0.84 -0.21 0.00 0.00 178.00 176.69 1rf6 h ILE 316 N 0.29 1.38 -0.31 4.15 3.07 -1.77 -2.90 117.51 121.42 1rf6 h ILE 316 Ca 0.09 -1.98 -0.07 0.00 1.55 0.00 0.00 64.86 64.45 1rf6 h ILE 316 Cb 0.15 1.99 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 1rf6 h ILE 316 CO -0.01 0.59 -0.11 0.40 -1.05 0.00 0.00 178.15 177.97 1rf6 h ILE 317 N 0.21 1.23 -0.72 0.16 2.04 -0.76 -0.67 117.51 119.01 1rf6 h ILE 317 Ca -0.01 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.85 1rf6 h ILE 317 Cb 1.13 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 1rf6 h ILE 317 CO 0.10 0.33 0.47 0.00 0.00 0.00 0.00 178.15 179.05 1rf6 h ALA 318 N 1.40 0.91 -0.21 1.87 0.00 -0.84 0.41 119.26 122.79 1rf6 h ALA 318 Ca 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1rf6 h ALA 318 Cb 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1rf6 h ALA 318 CO 0.03 0.34 0.10 1.25 0.00 0.00 0.00 179.25 180.96 1rf6 h LEU 319 N 0.98 0.28 -0.68 0.00 6.46 -1.34 -0.98 115.31 120.04 1rf6 h LEU 319 Ca 0.26 -0.14 0.12 0.00 -0.12 0.00 0.00 57.88 58.01 1rf6 h LEU 319 Cb -0.10 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 39.67 1rf6 h LEU 319 CO -0.06 0.34 0.24 0.25 -0.62 0.00 0.00 178.44 178.60 1rf6 h LEU 320 N 0.21 0.21 -1.43 2.25 5.85 -0.28 -0.38 115.31 121.74 1rf6 h LEU 320 Ca 0.07 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1rf6 h LEU 320 Cb 0.14 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1rf6 h LEU 320 CO -0.01 0.10 -0.26 0.00 -0.34 0.00 0.00 178.44 177.93 1rf6 h ALA 321 N 1.49 1.53 0.00 1.25 0.00 0.35 -2.08 119.26 121.80 1rf6 h ALA 321 Ca 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1rf6 h ALA 321 Cb 0.50 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1rf6 h ALA 321 CO -0.37 0.35 -0.06 1.15 0.00 0.00 0.00 179.25 180.33 1rf6 h THR 322 N 0.03 0.29 -0.02 0.00 2.02 0.28 -2.28 112.91 113.23 1rf6 h THR 322 Ca 0.00 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1rf6 h THR 322 Cb 0.48 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1rf6 h THR 322 CO 0.04 0.05 -0.18 0.00 0.37 0.00 0.00 175.52 175.80 1rf6 n GLN 323 N -3.38 1.69 -3.37 6.66 1.13 -0.79 0.36 117.38 119.68 1rf6 n GLN 323 Ca -0.02 -1.31 -0.28 0.00 -1.94 0.00 0.00 57.00 53.46 1rf6 n GLN 323 Cb 0.20 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 1rf6 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rf6 s ALA 324 N -2.21 3.65 0.22 -1.58 0.00 -0.86 -4.34 121.76 116.63 1rf6 s ALA 324 Ca 0.26 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1rf6 s ALA 324 Cb 0.19 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1rf6 s ALA 324 CO 0.42 0.24 1.02 -0.65 0.00 0.00 0.00 175.76 176.79 1rf6 s GLN 325 N -3.59 4.72 0.67 0.00 -1.52 0.67 -0.57 119.66 120.03 1rf6 s GLN 325 Ca 0.43 1.62 0.00 0.00 -1.95 0.00 0.00 55.36 55.46 1rf6 s GLN 325 Cb -0.11 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.41 1rf6 s GLN 325 CO 0.30 0.29 0.00 0.41 -0.25 0.00 0.00 175.29 176.04 1rf6 n GLY 326 N 1.65 -2.00 3.87 3.09 0.00 -1.26 -0.82 105.19 109.73 1rf6 n GLY 326 Ca -0.00 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 1rf6 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf6 s VAL 327 N -0.03 5.11 -0.09 1.61 1.01 -1.26 0.17 120.40 126.92 1rf6 s VAL 327 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1rf6 s VAL 327 Cb 0.00 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1rf6 s VAL 327 CO 0.00 0.25 -0.09 0.28 0.00 0.00 0.00 175.10 175.54 1rf6 s THR 328 N -1.44 1.01 -0.11 3.92 -1.32 0.91 -3.30 115.64 115.31 1rf6 s THR 328 Ca 0.34 -0.33 -0.03 0.00 -1.21 0.00 0.00 61.69 60.47 1rf6 s THR 328 Cb -0.14 -0.99 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 1rf6 s THR 328 CO 0.19 0.35 0.00 -0.69 -2.21 0.00 0.00 174.62 172.26 1rf6 s VAL 329 N 1.31 4.30 -0.17 5.08 1.01 -0.79 -1.08 120.40 130.06 1rf6 s VAL 329 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1rf6 s VAL 329 Cb -0.14 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.44 1rf6 s VAL 329 CO -0.04 0.57 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1rf6 s ILE 330 N -0.49 1.54 0.25 2.22 1.01 -0.38 -0.39 121.20 124.96 1rf6 s ILE 330 Ca 0.09 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1rf6 s ILE 330 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1rf6 s ILE 330 CO 0.02 0.31 0.16 -1.59 0.00 0.00 0.00 174.94 173.84 1rf6 s LYS 331 N 1.47 1.42 -1.59 2.79 -2.85 -0.78 -1.56 119.74 118.63 1rf6 s LYS 331 Ca 0.02 -1.78 0.00 0.00 -1.00 0.00 0.00 55.97 53.21 1rf6 s LYS 331 Cb -0.14 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1rf6 s LYS 331 CO -0.09 -0.44 0.00 -0.25 0.10 0.00 0.00 175.35 174.67 1rf6 n ASP 332 N -0.67 -4.86 -1.75 0.03 10.43 -1.08 -4.39 116.55 114.26 1rf6 n ASP 332 Ca 0.02 0.28 -0.19 0.00 2.57 0.00 0.00 54.79 57.48 1rf6 n ASP 332 Cb 0.65 -3.82 0.09 0.00 1.84 0.00 0.00 41.12 39.89 1rf6 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rf6 n ALA 333 N 0.47 4.99 0.29 2.24 0.00 0.65 -4.74 120.51 124.41 1rf6 n ALA 333 Ca -0.17 -3.52 0.16 0.00 0.00 0.00 0.00 53.44 49.91 1rf6 n ALA 333 Cb 0.55 -0.71 0.95 0.00 0.00 0.00 0.00 19.45 20.24 1rf6 n ALA 333 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rf6 h GLU 334 N 1.74 0.00 0.00 0.00 9.09 -1.82 -2.12 114.58 121.46 1rf6 h GLU 334 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 1rf6 h GLU 334 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 1rf6 h GLU 334 CO 0.76 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.75 1rf6 h GLU 335 N 0.00 0.00 0.00 1.06 4.39 -1.92 -2.58 114.58 115.53 1rf6 h GLU 335 Ca 0.01 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1rf6 h GLU 335 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1rf6 h GLU 335 CO -0.00 0.00 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.59 1rf6 h LEU 336 N 0.00 0.00 -1.86 1.33 3.38 -1.77 -2.74 115.31 113.66 1rf6 h LEU 336 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rf6 h LEU 336 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rf6 h LEU 336 CO 0.00 0.19 -0.02 0.11 0.09 0.00 0.00 178.44 178.81 1rf6 h LYS 337 N 0.00 0.00 -0.62 1.13 1.57 -1.69 -0.97 116.57 115.98 1rf6 h LYS 337 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rf6 h LYS 337 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1rf6 h LYS 337 CO 0.02 0.02 0.00 1.55 -0.57 0.00 0.00 179.45 180.48 1rf6 n VAL 338 N -3.15 1.29 -0.93 0.50 3.14 -1.03 -3.95 118.33 114.20 1rf6 n VAL 338 Ca -0.01 -1.09 0.00 0.00 -2.96 0.00 0.00 64.34 60.28 1rf6 n VAL 338 Cb 0.25 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.40 1rf6 n VAL 338 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1rf6 n LYS 339 N 1.22 0.49 -0.52 1.45 4.76 -1.16 -4.82 118.16 119.57 1rf6 n LYS 339 Ca 0.22 0.00 0.45 0.00 -2.87 0.00 0.00 58.31 56.11 1rf6 n LYS 339 Cb 0.67 0.00 0.79 0.00 -1.84 0.00 0.00 35.03 34.66 1rf6 n LYS 339 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rf6 h GLU 340 N 0.00 0.00 -3.82 1.97 3.07 -1.91 -3.40 114.58 110.49 1rf6 h GLU 340 Ca 0.00 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1rf6 h GLU 340 Cb 0.00 -0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 1rf6 h GLU 340 CO 0.00 0.00 -0.24 0.95 -1.40 0.00 0.00 179.01 178.32 1rf6 s THR 341 N -4.90 0.03 -0.69 1.13 -4.23 -1.26 -4.76 115.64 100.96 1rf6 s THR 341 Ca -0.05 -1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 58.78 1rf6 s THR 341 Cb 0.25 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 72.05 1rf6 s THR 341 CO 0.85 -0.13 1.63 -0.62 -0.54 0.00 0.00 174.62 175.81 1rf6 s ASP 342 N -3.00 5.64 0.00 3.99 -1.08 -1.25 -4.53 116.67 116.44 1rf6 s ASP 342 Ca 0.21 -0.07 0.20 0.00 -0.52 0.00 0.00 52.55 52.36 1rf6 s ASP 342 Cb 0.02 -2.54 1.16 0.00 -1.46 0.00 0.00 42.92 40.09 1rf6 s ASP 342 CO 0.05 -2.16 1.57 0.54 0.52 0.00 0.00 175.17 175.68 1rf6 n ARG 343 N 9.24 0.59 -0.09 4.34 1.74 -0.38 -1.03 116.66 131.06 1rf6 n ARG 343 Ca 0.15 0.01 -0.18 0.00 -0.77 0.00 0.00 57.85 57.06 1rf6 n ARG 343 Cb 0.51 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 1rf6 n ARG 343 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1rf6 h ILE 344 N 0.00 0.86 -0.12 0.55 2.04 -1.87 -3.24 117.51 115.73 1rf6 h ILE 344 Ca 0.00 -1.99 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 1rf6 h ILE 344 Cb 0.02 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1rf6 h ILE 344 CO 0.00 0.29 -0.11 -0.61 0.00 0.00 0.00 178.15 177.72 1rf6 h GLN 345 N -1.00 0.28 -0.52 2.37 5.75 -1.89 -2.07 115.11 118.03 1rf6 h GLN 345 Ca -0.25 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.00 1rf6 h GLN 345 Cb 1.12 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 1rf6 h GLN 345 CO -0.15 0.68 -0.06 0.28 -2.65 0.00 0.00 178.83 176.93 1rf6 h VAL 346 N -0.11 1.27 -0.35 2.39 2.07 -1.31 0.49 116.25 120.70 1rf6 h VAL 346 Ca 0.02 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1rf6 h VAL 346 Cb 0.63 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1rf6 h VAL 346 CO 0.03 0.42 0.02 0.58 0.02 0.00 0.00 177.57 178.64 1rf6 h VAL 347 N 0.83 1.25 0.02 2.57 2.07 -1.63 0.90 116.25 122.27 1rf6 h VAL 347 Ca 0.14 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1rf6 h VAL 347 Cb 0.61 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1rf6 h VAL 347 CO 0.04 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.92 1rf6 h ALA 348 N 0.88 -0.03 -0.48 1.67 0.00 -1.24 -1.58 119.26 118.49 1rf6 h ALA 348 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rf6 h ALA 348 Cb 0.42 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1rf6 h ALA 348 CO 0.01 -0.49 0.26 -0.44 0.00 0.00 0.00 179.25 178.59 1rf6 h ASP 349 N -0.08 0.59 0.34 0.00 3.32 -0.80 0.04 116.42 119.83 1rf6 h ASP 349 Ca -0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1rf6 h ASP 349 Cb 0.07 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1rf6 h ASP 349 CO 0.00 0.52 -0.16 0.00 -1.72 0.00 0.00 179.24 177.88 1rf6 h ALA 350 N 1.10 -0.45 -0.20 3.45 0.00 -0.70 -1.44 119.26 121.03 1rf6 h ALA 350 Ca 0.17 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1rf6 h ALA 350 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1rf6 h ALA 350 CO -0.03 -0.74 -0.48 -0.07 0.00 0.00 0.00 179.25 177.93 1rf6 h LEU 351 N -0.47 0.57 -1.15 0.00 3.38 -1.28 -2.95 115.31 113.40 1rf6 h LEU 351 Ca -0.05 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1rf6 h LEU 351 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1rf6 h LEU 351 CO 0.08 0.96 -0.01 0.78 0.09 0.00 0.00 178.44 180.33 1rf6 h ASN 352 N 0.41 0.54 0.48 -0.43 2.35 -0.91 -0.13 115.58 117.90 1rf6 h ASN 352 Ca 0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1rf6 h ASN 352 Cb 1.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1rf6 h ASN 352 CO 0.09 0.62 0.00 -1.54 -1.65 0.00 0.00 177.43 174.95 1rf6 n SER 353 N -4.26 0.31 -0.67 5.81 3.41 -0.55 -2.42 113.62 115.25 1rf6 n SER 353 Ca 0.02 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1rf6 n SER 353 Cb 0.26 -0.65 0.13 0.00 -0.26 0.00 0.00 64.21 63.69 1rf6 n SER 353 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1rf6 n MET 354 N -1.86 1.91 0.00 4.33 2.81 -0.13 -4.63 117.12 119.55 1rf6 n MET 354 Ca 0.02 -1.77 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 1rf6 n MET 354 Cb 0.16 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1rf6 n MET 354 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf6 n GLY 355 N 0.76 0.40 7.00 3.03 0.00 -1.05 0.78 105.19 116.12 1rf6 n GLY 355 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1rf6 n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf6 n ALA 356 N 0.00 0.00 -1.62 4.61 0.00 -0.80 -4.80 120.51 117.90 1rf6 n ALA 356 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rf6 n ALA 356 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1rf6 n ALA 356 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rf6 n ASP 357 N -3.52 -1.38 -4.11 0.00 2.03 -1.26 -4.83 116.55 103.48 1rf6 n ASP 357 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1rf6 n ASP 357 Cb 0.00 -0.34 -0.17 0.00 -0.72 0.00 0.00 41.12 39.89 1rf6 n ASP 357 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rf6 s ILE 358 N -2.60 1.79 -0.34 5.18 1.01 -1.26 -1.79 121.20 123.19 1rf6 s ILE 358 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 1rf6 s ILE 358 Cb 0.00 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.89 1rf6 s ILE 358 CO 0.00 0.50 0.13 -0.89 0.00 0.00 0.00 174.94 174.68 1rf6 s THR 359 N 0.92 4.08 0.41 2.92 2.01 0.62 -4.95 115.64 121.65 1rf6 s THR 359 Ca -0.06 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.77 1rf6 s THR 359 Cb -0.15 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 1rf6 s THR 359 CO -0.02 -0.13 1.09 -2.16 -0.69 0.00 0.00 174.62 172.71 1rf6 s PRO 360 N 1.48 4.07 0.41 4.92 0.04 -1.26 -0.84 135.00 143.81 1rf6 s PRO 360 Ca 0.01 1.61 0.04 0.00 0.04 0.00 0.00 61.00 62.69 1rf6 s PRO 360 Cb -0.19 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1rf6 s PRO 360 CO 0.04 -0.24 0.11 0.95 0.04 0.00 0.00 177.00 177.90 1rf6 s THR 361 N -1.60 0.72 0.41 1.26 -4.23 -0.20 -4.92 115.64 107.08 1rf6 s THR 361 Ca 0.59 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.29 1rf6 s THR 361 Cb -0.24 -2.38 0.21 0.00 1.34 0.00 0.00 72.50 71.42 1rf6 s THR 361 CO 0.30 0.00 1.98 0.00 -0.54 0.00 0.00 174.62 176.36 1rf6 h ALA 362 N 1.78 1.44 0.00 3.99 0.00 -1.99 -3.18 119.26 121.31 1rf6 h ALA 362 Ca -0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1rf6 h ALA 362 Cb 1.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1rf6 h ALA 362 CO 0.60 0.25 -0.20 -0.40 0.00 0.00 0.00 179.25 179.51 1rf6 n ASP 363 N -3.98 1.74 0.00 0.00 3.85 -1.26 -4.66 116.55 112.24 1rf6 n ASP 363 Ca -0.02 -2.91 0.00 0.00 -0.71 0.00 0.00 54.79 51.15 1rf6 n ASP 363 Cb 0.29 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 1rf6 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rf6 n GLY 364 N -1.04 -0.52 3.48 6.12 0.00 -1.20 -0.25 105.19 111.78 1rf6 n GLY 364 Ca 0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 1rf6 n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rf6 s MET 365 N -0.56 0.95 -0.14 1.61 0.23 -0.60 -1.03 119.30 119.74 1rf6 s MET 365 Ca 0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 55.69 54.34 1rf6 s MET 365 Cb 0.00 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.76 1rf6 s MET 365 CO 0.00 -0.41 -0.16 0.42 -2.03 0.00 0.00 175.02 172.83 1rf6 s ILE 366 N -3.24 1.71 -0.15 3.16 1.01 -0.02 -1.25 121.20 122.41 1rf6 s ILE 366 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1rf6 s ILE 366 Cb -0.01 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1rf6 s ILE 366 CO -0.10 0.48 -0.12 -0.63 0.00 0.00 0.00 174.94 174.58 1rf6 s ILE 367 N 1.25 3.11 -0.31 2.92 1.01 -0.24 -0.28 121.20 128.66 1rf6 s ILE 367 Ca 0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 1rf6 s ILE 367 Cb -0.14 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 1rf6 s ILE 367 CO -0.08 0.51 0.16 -0.75 0.00 0.00 0.00 174.94 174.78 1rf6 s LYS 368 N 0.54 3.45 0.70 2.79 2.20 -0.74 -0.06 119.74 128.61 1rf6 s LYS 368 Ca -0.08 -0.65 -0.10 0.00 -0.36 0.00 0.00 55.97 54.78 1rf6 s LYS 368 Cb -0.15 -3.59 0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1rf6 s LYS 368 CO 0.04 -0.38 1.07 0.20 -0.36 0.00 0.00 175.35 175.92 1rf6 s GLY 369 N 1.64 1.62 0.00 5.54 0.00 0.45 -4.73 107.32 111.84 1rf6 s GLY 369 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1rf6 s GLY 369 CO 0.07 -0.10 0.00 0.28 0.00 0.00 0.00 173.10 173.35 1rf6 n LYS 370 N -2.97 0.00 -4.10 2.90 4.76 0.16 -4.08 118.16 114.83 1rf6 n LYS 370 Ca 0.07 0.11 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 1rf6 n LYS 370 Cb 0.58 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.43 1rf6 n LYS 370 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rf6 s SER 371 N -2.60 5.55 -0.09 4.39 0.01 -0.31 -5.01 113.70 115.65 1rf6 s SER 371 Ca 0.00 0.11 -0.25 0.00 1.31 0.00 0.00 55.95 57.13 1rf6 s SER 371 Cb 0.00 -1.87 -0.03 0.00 0.21 0.00 0.00 66.02 64.33 1rf6 s SER 371 CO 0.00 0.24 0.76 0.00 0.41 0.00 0.00 173.24 174.65 1rf6 s ALA 372 N -0.01 3.36 0.38 1.44 0.00 -1.26 -4.81 121.76 120.85 1rf6 s ALA 372 Ca 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1rf6 s ALA 372 Cb -0.12 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1rf6 s ALA 372 CO 0.01 -0.26 0.62 -0.51 0.00 0.00 0.00 175.76 175.63 1rf6 s LEU 373 N 1.17 3.90 0.35 0.00 1.43 -1.26 -4.63 118.68 119.64 1rf6 s LEU 373 Ca 0.39 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 54.19 1rf6 s LEU 373 Cb -0.18 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1rf6 s LEU 373 CO 0.18 -0.37 0.22 -1.38 0.23 0.00 0.00 176.35 175.23 1rf6 s HIS 374 N -2.42 1.72 0.86 0.29 -3.43 0.23 -4.08 115.29 108.47 1rf6 s HIS 374 Ca 0.43 -1.53 -0.11 0.00 -0.80 0.00 0.00 55.06 53.06 1rf6 s HIS 374 Cb -0.10 -0.84 0.11 0.00 -1.43 0.00 0.00 32.58 30.32 1rf6 s HIS 374 CO 0.38 -0.67 1.14 0.20 -2.00 0.00 0.00 174.74 173.79 1rf6 s GLY 375 N -3.43 1.78 -0.13 -1.38 0.00 -1.26 -4.58 107.32 98.32 1rf6 s GLY 375 Ca 0.35 0.56 -0.34 0.00 0.00 0.00 0.00 44.72 45.29 1rf6 s GLY 375 CO 0.22 0.96 1.38 0.00 0.00 0.00 0.00 173.10 175.66 1rf6 s ALA 376 N -2.62 -2.36 -0.17 3.20 0.00 -0.46 -4.68 121.76 114.67 1rf6 s ALA 376 Ca 0.66 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 1rf6 s ALA 376 Cb -0.22 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1rf6 s ALA 376 CO 0.56 -0.91 -0.08 0.50 0.00 0.00 0.00 175.76 175.83 1rf6 s ARG 377 N -2.13 3.42 -0.03 0.00 3.52 -1.26 -1.81 118.95 120.65 1rf6 s ARG 377 Ca 0.14 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1rf6 s ARG 377 Cb 0.05 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1rf6 s ARG 377 CO -0.05 0.05 -0.20 0.08 -0.81 0.00 0.00 175.30 174.37 1rf6 s VAL 378 N 0.81 1.58 -0.11 7.11 1.01 0.42 -4.96 120.40 126.26 1rf6 s VAL 378 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 1rf6 s VAL 378 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1rf6 s VAL 378 CO 0.01 0.45 0.01 0.21 0.00 0.00 0.00 175.10 175.78 1rf6 s ASN 379 N -0.25 5.27 0.36 3.32 2.47 -1.26 -0.59 114.94 124.26 1rf6 s ASN 379 Ca 0.02 0.11 0.17 0.00 0.42 0.00 0.00 52.86 53.57 1rf6 s ASN 379 Cb -0.10 -1.61 0.68 0.00 -1.45 0.00 0.00 41.25 38.77 1rf6 s ASN 379 CO 0.01 0.32 1.75 0.74 -3.72 0.00 0.00 177.10 176.20 1rf6 h THR 380 N 4.41 1.04 -3.05 -5.21 2.02 -1.60 -3.47 112.91 107.05 1rf6 h THR 380 Ca -0.46 -1.52 -0.34 0.00 0.77 0.00 0.00 66.41 64.86 1rf6 h THR 380 Cb 1.19 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 69.45 1rf6 h THR 380 CO 0.58 0.40 -0.42 0.49 0.37 0.00 0.00 175.52 176.93 1rf6 n PHE 381 N -3.70 -1.04 -1.26 3.16 0.99 -1.26 -1.29 117.46 113.07 1rf6 n PHE 381 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.39 1rf6 n PHE 381 Cb 0.49 -3.40 -0.02 0.00 -1.00 0.00 0.00 39.48 35.55 1rf6 n PHE 381 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rf6 n GLY 382 N -0.84 0.72 3.15 1.37 0.00 -1.26 -4.84 105.19 103.49 1rf6 n GLY 382 Ca -0.20 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 1rf6 n GLY 382 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf6 s ASP 383 N -2.92 4.96 0.37 1.61 -1.08 -0.41 -4.95 116.67 114.25 1rf6 s ASP 383 Ca 0.00 -1.52 0.13 0.00 -0.52 0.00 0.00 52.55 50.65 1rf6 s ASP 383 Cb 0.00 -1.73 0.95 0.00 -1.46 0.00 0.00 42.92 40.68 1rf6 s ASP 383 CO 0.00 -0.33 1.82 1.12 0.52 0.00 0.00 175.17 178.29 1rf6 h HIS 384 N 7.98 0.76 0.00 -5.34 2.07 -1.87 -1.99 115.15 116.76 1rf6 h HIS 384 Ca -0.18 0.02 -0.09 0.00 -2.85 0.00 0.00 60.37 57.28 1rf6 h HIS 384 Cb 1.05 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 30.79 1rf6 h HIS 384 CO 0.59 0.18 -0.41 0.00 -3.07 0.00 0.00 177.93 175.22 1rf6 h ARG 385 N 0.55 0.00 -0.31 5.12 3.08 -1.94 -1.98 114.38 118.89 1rf6 h ARG 385 Ca 0.52 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.48 1rf6 h ARG 385 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1rf6 h ARG 385 CO -0.26 0.41 -0.16 0.82 -1.07 0.00 0.00 179.97 179.70 1rf6 h ILE 386 N 0.00 1.29 0.37 2.04 1.08 -1.69 -0.42 117.51 120.18 1rf6 h ILE 386 Ca -0.00 -1.28 -0.02 0.00 -0.39 0.00 0.00 64.86 63.17 1rf6 h ILE 386 Cb 1.03 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 1rf6 h ILE 386 CO 0.05 0.41 -0.18 1.23 -0.69 0.00 0.00 178.15 178.98 1rf6 h GLY 387 N 0.43 -0.52 1.58 5.37 0.00 -1.34 -0.85 103.07 107.73 1rf6 h GLY 387 Ca 0.07 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 1rf6 h GLY 387 CO 0.05 -0.19 -0.03 -0.33 0.00 0.00 0.00 176.54 176.03 1rf6 h MET 388 N -0.54 0.52 -0.49 4.80 2.86 -1.38 -1.32 114.93 119.38 1rf6 h MET 388 Ca -0.05 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1rf6 h MET 388 Cb 0.41 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1rf6 h MET 388 CO 0.08 0.57 0.23 1.98 1.06 0.00 0.00 176.91 180.83 1rf6 h MET 389 N 0.49 0.72 -0.31 1.72 -1.53 -0.90 -2.08 114.93 113.03 1rf6 h MET 389 Ca 0.10 -0.11 -0.07 0.00 -3.44 0.00 0.00 59.70 56.18 1rf6 h MET 389 Cb 0.37 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.28 1rf6 h MET 389 CO 0.02 0.61 -0.11 1.15 0.14 0.00 0.00 176.91 178.71 1rf6 h THR 390 N 0.65 1.23 -0.44 -0.77 2.02 -0.60 -1.41 112.91 113.59 1rf6 h THR 390 Ca 0.17 -1.01 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 1rf6 h THR 390 Cb 0.14 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1rf6 h THR 390 CO -0.02 0.33 0.06 0.00 0.37 0.00 0.00 175.52 176.27 1rf6 h ALA 391 N 1.40 0.59 -0.51 6.16 0.00 -0.83 0.57 119.26 126.63 1rf6 h ALA 391 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1rf6 h ALA 391 Cb 0.49 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1rf6 h ALA 391 CO 0.03 0.32 -0.16 -0.84 0.00 0.00 0.00 179.25 178.60 1rf6 h ILE 392 N 0.60 1.27 -0.66 0.00 3.07 -1.22 -2.86 117.51 117.70 1rf6 h ILE 392 Ca 0.13 -1.32 0.01 0.00 1.55 0.00 0.00 64.86 65.24 1rf6 h ILE 392 Cb 0.40 1.05 -0.04 0.00 -0.27 0.00 0.00 36.82 37.96 1rf6 h ILE 392 CO 0.01 0.46 0.43 0.00 -1.05 0.00 0.00 178.15 178.00 1rf6 h ALA 393 N 0.90 0.85 -0.67 0.16 0.00 -1.01 -2.35 119.26 117.14 1rf6 h ALA 393 Ca 0.13 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1rf6 h ALA 393 Cb 0.74 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1rf6 h ALA 393 CO 0.06 0.24 0.45 0.00 0.00 0.00 0.00 179.25 180.00 1rf6 h ALA 394 N 1.26 2.20 -0.04 0.00 0.00 -0.66 -0.56 119.26 121.45 1rf6 h ALA 394 Ca 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1rf6 h ALA 394 Cb -0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1rf6 h ALA 394 CO -0.07 -0.37 0.04 -0.07 0.00 0.00 0.00 179.25 178.77 1rf6 h LEU 395 N 0.30 0.00 -0.63 0.00 3.38 -1.31 -1.56 115.31 115.50 1rf6 h LEU 395 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1rf6 h LEU 395 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1rf6 h LEU 395 CO -0.08 0.00 -0.17 0.18 0.09 0.00 0.00 178.44 178.46 1rf6 n LEU 396 N -4.18 1.15 -4.58 1.67 4.77 -0.22 -1.74 117.00 113.87 1rf6 n LEU 396 Ca -0.02 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.22 1rf6 n LEU 396 Cb 0.13 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1rf6 n LEU 396 CO 0.31 0.21 1.34 -0.69 -1.33 0.00 0.00 177.39 177.22 1rf6 s VAL 397 N -2.35 3.71 0.19 4.08 1.01 -0.59 -4.47 120.40 121.99 1rf6 s VAL 397 Ca 0.29 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.81 1rf6 s VAL 397 Cb 0.20 -4.19 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1rf6 s VAL 397 CO 0.46 -0.92 1.74 0.00 0.00 0.00 0.00 175.10 176.39 1rf6 h ALA 398 N 11.78 0.91 -1.81 5.51 0.00 -1.88 -0.51 119.26 133.26 1rf6 h ALA 398 Ca -0.28 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1rf6 h ALA 398 Cb 1.12 -0.27 -0.29 0.00 0.00 0.00 0.00 17.79 18.34 1rf6 h ALA 398 CO 1.14 0.56 -0.48 0.34 0.00 0.00 0.00 179.25 180.81 1rf6 s ASP 399 N -6.28 0.18 0.00 0.00 -1.08 -1.26 -4.69 116.67 103.54 1rf6 s ASP 399 Ca -0.12 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.07 1rf6 s ASP 399 Cb 0.14 1.17 0.00 0.00 -1.46 0.00 0.00 42.92 42.78 1rf6 s ASP 399 CO 0.82 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.82 1rf6 n GLY 400 N 5.37 -0.83 3.37 2.66 0.00 -1.26 -4.56 105.19 109.93 1rf6 n GLY 400 Ca -0.03 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 1rf6 n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rf6 s GLU 401 N -1.53 1.40 -0.10 1.61 0.41 -1.26 -4.79 118.70 114.45 1rf6 s GLU 401 Ca 0.00 -1.63 -0.00 0.00 -0.41 0.00 0.00 54.97 52.92 1rf6 s GLU 401 Cb 0.00 -1.21 0.02 0.00 -1.78 0.00 0.00 34.13 31.16 1rf6 s GLU 401 CO 0.00 0.19 -0.06 0.54 -0.49 0.00 0.00 175.26 175.44 1rf6 s VAL 402 N -2.91 0.87 -0.19 2.63 0.11 -1.26 -1.35 120.40 118.29 1rf6 s VAL 402 Ca 0.24 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1rf6 s VAL 402 Cb -0.01 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1rf6 s VAL 402 CO 0.08 0.34 0.03 -1.61 -3.33 0.00 0.00 175.10 170.61 1rf6 s GLU 403 N 1.64 3.78 -0.32 1.54 0.41 -0.75 -1.34 118.70 123.65 1rf6 s GLU 403 Ca 0.03 -0.44 -0.03 0.00 -0.41 0.00 0.00 54.97 54.11 1rf6 s GLU 403 Cb -0.13 -3.14 0.05 0.00 -1.78 0.00 0.00 34.13 29.14 1rf6 s GLU 403 CO -0.06 0.13 0.05 -1.17 -0.49 0.00 0.00 175.26 173.72 1rf6 s LEU 404 N 0.72 4.14 0.25 1.80 0.20 -0.03 -0.43 118.68 125.32 1rf6 s LEU 404 Ca 0.01 -1.29 -0.12 0.00 0.69 0.00 0.00 54.13 53.43 1rf6 s LEU 404 Cb -0.14 -1.77 -0.08 0.00 -0.43 0.00 0.00 46.19 43.77 1rf6 s LEU 404 CO 0.02 -0.30 0.61 -1.81 -0.29 0.00 0.00 176.35 174.57 1rf6 s ASP 405 N 1.35 6.70 -1.32 3.68 1.01 0.24 0.54 116.67 128.87 1rf6 s ASP 405 Ca -0.03 1.05 -0.06 0.00 0.71 0.00 0.00 52.55 54.22 1rf6 s ASP 405 Cb -0.20 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1rf6 s ASP 405 CO -0.00 -0.09 1.07 -1.14 0.21 0.00 0.00 175.17 175.22 1rf6 n ARG 406 N -0.10 -7.07 0.27 8.23 0.63 -1.26 -1.87 116.66 115.49 1rf6 n ARG 406 Ca 0.01 0.80 0.18 0.00 -0.92 0.00 0.00 57.85 57.91 1rf6 n ARG 406 Cb 0.53 -5.79 0.75 0.00 0.45 0.00 0.00 32.46 28.40 1rf6 n ARG 406 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rf6 h ALA 407 N 0.96 1.00 0.00 5.13 0.00 -1.96 -2.98 119.26 121.41 1rf6 h ALA 407 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1rf6 h ALA 407 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rf6 h ALA 407 CO 0.55 0.00 0.00 1.05 0.00 0.00 0.00 179.25 180.85 1rf6 h GLU 408 N 0.00 0.00 -0.65 0.00 9.09 -1.94 -2.03 114.58 119.05 1rf6 h GLU 408 Ca 0.00 0.00 0.18 0.00 0.05 0.00 0.00 59.36 59.59 1rf6 h GLU 408 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.47 1rf6 h GLU 408 CO 0.00 0.00 0.46 0.00 0.05 0.00 0.00 179.01 179.52 1rf6 h ALA 409 N 2.03 2.53 -0.13 1.06 0.00 -1.89 0.09 119.26 122.96 1rf6 h ALA 409 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1rf6 h ALA 409 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rf6 h ALA 409 CO 0.00 -0.72 0.12 0.82 0.00 0.00 0.00 179.25 179.47 1rf6 h ILE 410 N 0.06 0.65 0.00 0.00 2.04 -1.60 -2.14 117.51 116.51 1rf6 h ILE 410 Ca 0.31 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.17 1rf6 h ILE 410 Cb 1.16 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1rf6 h ILE 410 CO -0.02 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.72 1rf6 n ASN 411 N -4.06 0.00 0.24 1.72 3.02 0.02 -1.57 115.26 114.63 1rf6 n ASN 411 Ca 0.00 0.38 0.12 0.00 -0.03 0.00 0.00 54.58 55.04 1rf6 n ASN 411 Cb 0.23 -0.42 0.58 0.00 -0.61 0.00 0.00 39.78 39.56 1rf6 n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rf6 h THR 412 N 0.00 0.51 0.00 3.41 1.03 -1.57 0.21 112.91 116.50 1rf6 h THR 412 Ca 0.00 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 1rf6 h THR 412 Cb 0.13 1.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 1rf6 h THR 412 CO 0.00 0.17 0.00 -1.54 -0.01 0.00 0.00 175.52 174.14 1rf6 n SER 413 N -3.44 0.00 -2.88 0.00 3.41 -1.07 -2.37 113.62 107.28 1rf6 n SER 413 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1rf6 n SER 413 Cb 0.35 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.32 1rf6 n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf6 n TYR 414 N 0.00 -2.49 -0.29 7.33 -0.00 -0.61 -4.77 117.16 116.34 1rf6 n TYR 414 Ca 0.00 -2.28 0.08 0.00 -0.00 0.00 0.00 57.90 55.70 1rf6 n TYR 414 Cb 0.00 1.01 0.30 0.00 -0.00 0.00 0.00 39.34 40.66 1rf6 n TYR 414 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1rf6 h PRO 415 N 3.99 0.84 -0.79 2.98 0.11 -1.75 -2.17 132.00 135.22 1rf6 h PRO 415 Ca -0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1rf6 h PRO 415 Cb 0.99 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1rf6 h PRO 415 CO 0.37 0.56 0.04 -1.13 -0.21 0.00 0.00 178.00 177.62 1rf6 n SER 416 N -4.54 3.63 0.10 -2.05 3.41 -1.26 -4.57 113.62 108.34 1rf6 n SER 416 Ca 0.16 -2.56 -0.12 0.00 -0.26 0.00 0.00 58.87 56.08 1rf6 n SER 416 Cb 0.32 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.61 1rf6 n SER 416 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rf6 h PHE 417 N 2.06 -0.69 0.00 7.33 3.57 -1.77 -2.09 116.94 125.35 1rf6 h PHE 417 Ca 0.04 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1rf6 h PHE 417 Cb 1.41 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1rf6 h PHE 417 CO 0.64 -0.36 -0.27 0.74 -2.23 0.00 0.00 178.31 176.83 1rf6 h PHE 418 N -0.45 0.00 -0.51 0.41 0.04 -1.85 -0.87 116.94 113.71 1rf6 h PHE 418 Ca 0.04 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1rf6 h PHE 418 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 1rf6 h PHE 418 CO -0.25 0.27 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.28 1rf6 h ASP 419 N 0.00 0.89 -0.45 2.17 3.45 -1.82 -0.34 116.42 120.33 1rf6 h ASP 419 Ca -0.00 -0.32 -0.07 0.00 0.43 0.00 0.00 57.03 57.08 1rf6 h ASP 419 Cb 0.52 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 1rf6 h ASP 419 CO 0.04 0.99 0.02 0.44 -1.57 0.00 0.00 179.24 179.16 1rf6 h ASP 420 N 0.77 0.76 -0.52 6.45 3.45 -0.79 -2.08 116.42 124.46 1rf6 h ASP 420 Ca 0.14 -0.29 0.02 0.00 0.43 0.00 0.00 57.03 57.33 1rf6 h ASP 420 Cb 0.55 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 1rf6 h ASP 420 CO 0.03 0.86 0.32 0.25 -1.57 0.00 0.00 179.24 179.13 1rf6 h LEU 421 N 0.62 0.52 -1.14 1.55 5.85 -0.98 -2.40 115.31 119.34 1rf6 h LEU 421 Ca 0.13 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1rf6 h LEU 421 Cb 0.46 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1rf6 h LEU 421 CO 0.02 0.37 0.54 -0.33 -0.34 0.00 0.00 178.44 178.70 1rf6 h GLU 422 N 0.64 1.12 0.00 1.25 4.39 -0.88 -2.23 114.58 118.87 1rf6 h GLU 422 Ca 0.20 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1rf6 h GLU 422 Cb -0.00 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.40 1rf6 h GLU 422 CO -0.08 0.75 0.00 0.66 -1.16 0.00 0.00 179.01 179.18 1rf6 h SER 423 N 1.15 0.00 0.59 1.42 4.64 -0.86 -2.93 113.55 117.56 1rf6 h SER 423 Ca 0.31 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.52 1rf6 h SER 423 Cb -0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 1rf6 h SER 423 CO -0.06 0.00 -1.50 0.18 -0.87 0.00 0.00 176.83 174.58 1rf6 n LEU 424 N -2.66 0.61 0.14 5.97 4.77 -0.85 -4.18 117.00 120.81 1rf6 n LEU 424 Ca 0.00 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 1rf6 n LEU 424 Cb 0.21 0.06 0.51 0.00 -2.33 0.00 0.00 43.42 41.86 1rf6 n LEU 424 CO 0.21 0.05 0.87 0.40 -1.33 0.00 0.00 177.39 177.59 1rf6 h ILE 425 N 0.00 0.00 -3.35 -0.08 2.04 -1.38 -2.58 117.51 112.16 1rf6 h ILE 425 Ca -0.12 -0.27 -0.62 0.00 1.00 0.00 0.00 64.86 64.84 1rf6 h ILE 425 Cb 1.36 1.04 -0.40 0.00 -0.74 0.00 0.00 36.82 38.08 1rf6 h ILE 425 CO 0.02 0.00 -0.72 -1.00 0.00 0.00 0.00 178.15 176.45 1rf6 s HIS 426 N -3.34 2.70 0.00 1.37 3.76 -1.26 -4.94 115.29 113.58 1rf6 s HIS 426 Ca 0.04 -2.51 0.00 0.00 -0.15 0.00 0.00 55.06 52.44 1rf6 s HIS 426 Cb 0.09 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.45 1rf6 s HIS 426 CO 0.42 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.85