#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf4 s LYS 2 N 0.00 4.30 0.05 3.17 2.20 -1.26 -0.43 119.74 127.77 1rf4 s LYS 2 Ca 0.00 0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 56.20 1rf4 s LYS 2 Cb 0.00 -3.53 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 1rf4 s LYS 2 CO 0.00 -0.12 0.43 -0.51 -0.36 0.00 0.00 175.35 174.79 1rf4 s LEU 3 N 1.50 4.41 0.34 5.43 1.02 -0.76 -4.98 118.68 125.63 1rf4 s LEU 3 Ca 0.32 0.92 -0.28 0.00 0.02 0.00 0.00 54.13 55.11 1rf4 s LEU 3 Cb -0.16 -2.84 -0.12 0.00 0.02 0.00 0.00 46.19 43.08 1rf4 s LEU 3 CO 0.13 0.23 1.41 0.29 0.02 0.00 0.00 176.35 178.43 1rf4 n LYS 4 N 1.32 2.39 -4.55 1.70 4.01 -1.26 -4.59 118.16 117.17 1rf4 n LYS 4 Ca -0.10 0.84 -0.25 0.00 -0.51 0.00 0.00 58.31 58.28 1rf4 n LYS 4 Cb 0.52 -2.50 -0.10 0.00 -0.51 0.00 0.00 35.03 32.44 1rf4 n LYS 4 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1rf4 s THR 5 N -0.91 1.35 -0.79 -0.18 -1.32 -1.26 -4.03 115.64 108.50 1rf4 s THR 5 Ca 0.56 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.99 1rf4 s THR 5 Cb -0.53 -2.73 0.01 0.00 -1.51 0.00 0.00 72.50 67.74 1rf4 s THR 5 CO 0.60 0.00 0.54 -3.20 -2.21 0.00 0.00 174.62 170.36 1rf4 n ASN 6 N -0.92 -4.11 -4.79 8.08 4.05 -0.42 -4.92 115.26 112.23 1rf4 n ASN 6 Ca -0.06 -0.92 -0.38 0.00 0.45 0.00 0.00 54.58 53.67 1rf4 n ASN 6 Cb 0.67 -1.40 -0.06 0.00 1.23 0.00 0.00 39.78 40.22 1rf4 n ASN 6 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1rf4 s ILE 7 N -3.02 4.47 -0.61 -1.44 1.09 -0.16 -4.97 121.20 116.56 1rf4 s ILE 7 Ca 0.08 1.51 0.21 0.00 -1.10 0.00 0.00 60.65 61.34 1rf4 s ILE 7 Cb -0.04 -4.01 -0.26 0.00 -1.06 0.00 0.00 42.46 37.08 1rf4 s ILE 7 CO 0.81 0.41 0.72 0.54 -0.10 0.00 0.00 174.94 177.32 1rf4 n ARG 8 N 1.29 0.39 -3.61 2.79 5.12 -1.26 -4.63 116.66 116.75 1rf4 n ARG 8 Ca -0.05 -0.07 -0.09 0.00 -1.93 0.00 0.00 57.85 55.71 1rf4 n ARG 8 Cb 0.50 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 30.26 1rf4 n ARG 8 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1rf4 s HIS 9 N -3.13 -0.35 -0.14 -1.55 -3.43 -1.25 -4.31 115.29 101.12 1rf4 s HIS 9 Ca 0.02 0.72 -0.01 0.00 -0.80 0.00 0.00 55.06 54.99 1rf4 s HIS 9 Cb 0.15 0.43 0.04 0.00 -1.43 0.00 0.00 32.58 31.76 1rf4 s HIS 9 CO 0.85 -0.25 -0.02 -0.51 -2.00 0.00 0.00 174.74 172.81 1rf4 s LEU 10 N -0.55 1.24 -0.00 5.38 1.43 -1.23 -4.59 118.68 120.36 1rf4 s LEU 10 Ca 0.02 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 1rf4 s LEU 10 Cb -0.02 -0.73 -0.00 0.00 0.03 0.00 0.00 46.19 45.46 1rf4 s LEU 10 CO -0.03 -0.20 0.01 -1.00 0.23 0.00 0.00 176.35 175.36 1rf4 s HIS 11 N 1.77 0.04 0.00 0.29 3.76 -0.90 -1.34 115.29 118.91 1rf4 s HIS 11 Ca 0.02 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1rf4 s HIS 11 Cb -0.15 -0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.50 1rf4 s HIS 11 CO -0.07 -0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1rf4 n GLY 12 N 2.68 1.50 3.42 -2.22 0.00 -1.23 -4.34 105.19 104.99 1rf4 n GLY 12 Ca -0.15 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 1rf4 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rf4 s ILE 13 N -1.74 3.30 -0.03 -0.61 1.01 -1.26 -2.27 121.20 119.60 1rf4 s ILE 13 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1rf4 s ILE 13 Cb 0.00 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1rf4 s ILE 13 CO 0.00 0.53 -0.18 -0.63 0.00 0.00 0.00 174.94 174.66 1rf4 s ILE 14 N 0.21 1.43 -0.58 2.92 -1.09 -0.40 -5.00 121.20 118.70 1rf4 s ILE 14 Ca -0.07 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 57.59 1rf4 s ILE 14 Cb -0.15 -1.21 0.15 0.00 -1.58 0.00 0.00 42.46 39.67 1rf4 s ILE 14 CO 0.04 0.41 0.38 -0.13 -1.23 0.00 0.00 174.94 174.41 1rf4 s ARG 15 N -0.20 2.39 0.64 2.79 0.52 -1.26 -1.65 118.95 122.18 1rf4 s ARG 15 Ca 0.02 -2.46 -0.18 0.00 -0.52 0.00 0.00 55.73 52.59 1rf4 s ARG 15 Cb -0.09 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.72 1rf4 s ARG 15 CO 0.01 -1.15 1.12 1.33 0.02 0.00 0.00 175.30 176.63 1rf4 n VAL 16 N 3.55 4.23 -0.42 3.52 0.24 -1.26 -4.97 118.33 123.22 1rf4 n VAL 16 Ca 0.06 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.34 61.59 1rf4 n VAL 16 Cb 0.37 -1.30 0.27 0.00 -1.47 0.00 0.00 33.84 31.71 1rf4 n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1rf4 s PRO 17 N -3.14 -1.66 0.66 7.34 0.04 -1.26 -4.48 135.00 132.49 1rf4 s PRO 17 Ca 0.79 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1rf4 s PRO 17 Cb -0.39 -1.48 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 1rf4 s PRO 17 CO 0.44 -4.18 1.27 0.20 0.04 0.00 0.00 177.00 174.77 1rf4 s GLY 18 N -2.52 2.77 0.10 0.56 0.00 -1.26 -1.12 107.32 105.85 1rf4 s GLY 18 Ca 0.69 1.15 -0.31 0.00 0.00 0.00 0.00 44.72 46.24 1rf4 s GLY 18 CO 0.64 1.57 1.85 1.34 0.00 0.00 0.00 173.10 178.51 1rf4 n ASP 19 N -2.00 3.99 -0.15 1.64 -0.08 0.33 -4.32 116.55 115.94 1rf4 n ASP 19 Ca 0.15 0.98 -0.09 0.00 -1.51 0.00 0.00 54.79 54.32 1rf4 n ASP 19 Cb 0.49 -1.52 -0.00 0.00 2.34 0.00 0.00 41.12 42.42 1rf4 n ASP 19 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1rf4 h LYS 20 N 8.83 0.69 -0.56 -0.67 3.64 -1.91 -0.88 116.57 125.71 1rf4 h LYS 20 Ca -0.47 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1rf4 h LYS 20 Cb 1.23 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1rf4 h LYS 20 CO 0.94 0.66 0.37 0.77 -2.27 0.00 0.00 179.45 179.92 1rf4 h SER 21 N 0.58 0.65 -0.11 4.20 0.02 -2.00 -1.42 113.55 115.47 1rf4 h SER 21 Ca 0.14 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 1rf4 h SER 21 Cb 0.25 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1rf4 h SER 21 CO -0.01 0.48 -0.46 0.40 -1.14 0.00 0.00 176.83 176.11 1rf4 h ILE 22 N 0.76 1.30 -0.26 3.27 2.04 -1.95 -2.76 117.51 119.92 1rf4 h ILE 22 Ca 0.20 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 1rf4 h ILE 22 Cb -0.07 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1rf4 h ILE 22 CO -0.04 0.53 0.13 0.28 0.00 0.00 0.00 178.15 179.04 1rf4 h SER 23 N 0.53 0.33 0.02 1.72 0.02 -0.85 0.90 113.55 116.22 1rf4 h SER 23 Ca 0.03 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1rf4 h SER 23 Cb 1.00 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 1rf4 h SER 23 CO 0.09 0.34 -0.21 0.45 -1.14 0.00 0.00 176.83 176.36 1rf4 h HIS 24 N 0.29 -0.57 -0.54 3.45 3.86 -1.26 -2.57 115.15 117.82 1rf4 h HIS 24 Ca 0.09 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1rf4 h HIS 24 Cb 0.09 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1rf4 h HIS 24 CO -0.03 -0.30 0.34 0.00 0.86 0.00 0.00 177.93 178.80 1rf4 h ARG 25 N -0.35 0.72 -0.67 2.45 3.08 -1.24 -2.11 114.38 116.26 1rf4 h ARG 25 Ca 0.05 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1rf4 h ARG 25 Cb 0.42 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1rf4 h ARG 25 CO -0.18 0.49 0.44 0.66 -1.07 0.00 0.00 179.97 180.31 1rf4 h SER 26 N 0.73 0.66 0.33 7.04 4.64 -0.41 0.14 113.55 126.69 1rf4 h SER 26 Ca 0.20 -0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.27 1rf4 h SER 26 Cb -0.06 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1rf4 h SER 26 CO -0.04 0.45 -1.01 0.40 -0.87 0.00 0.00 176.83 175.76 1rf4 h ILE 27 N 0.77 1.39 0.39 0.95 1.08 -1.26 -1.46 117.51 119.37 1rf4 h ILE 27 Ca 0.27 -2.51 -0.02 0.00 -0.39 0.00 0.00 64.86 62.22 1rf4 h ILE 27 Cb 0.13 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1rf4 h ILE 27 CO -0.08 0.75 -0.19 0.40 -0.69 0.00 0.00 178.15 178.34 1rf4 h ILE 28 N 0.23 0.53 -0.69 -0.67 2.04 -0.86 -1.53 117.51 116.55 1rf4 h ILE 28 Ca -0.10 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1rf4 h ILE 28 Cb 1.66 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 1rf4 h ILE 28 CO 0.18 0.09 0.46 -0.26 0.00 0.00 0.00 178.15 178.61 1rf4 h PHE 29 N -0.87 0.87 -0.94 1.37 -1.00 -0.87 -1.32 116.94 114.18 1rf4 h PHE 29 Ca -0.05 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.79 1rf4 h PHE 29 Cb 0.55 -0.29 -0.06 0.00 3.61 0.00 0.00 35.95 39.76 1rf4 h PHE 29 CO 0.02 0.54 0.62 0.78 -1.61 0.00 0.00 178.31 178.66 1rf4 h GLY 30 N 0.93 1.37 0.89 -1.45 0.00 -1.27 -0.33 103.07 103.20 1rf4 h GLY 30 Ca 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1rf4 h GLY 30 CO -0.06 0.38 -0.16 1.76 0.00 0.00 0.00 176.54 178.46 1rf4 h SER 31 N 1.16 0.60 1.53 0.19 0.02 -0.65 -3.23 113.55 113.17 1rf4 h SER 31 Ca 0.38 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1rf4 h SER 31 Cb 0.05 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1rf4 h SER 31 CO -0.12 0.90 0.00 -0.07 -1.14 0.00 0.00 176.83 176.39 1rf4 h LEU 32 N 0.30 0.00-10.78 5.07 3.38 -0.92 -1.30 115.31 111.06 1rf4 h LEU 32 Ca 0.05 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.58 1rf4 h LEU 32 Cb 0.69 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.60 1rf4 h LEU 32 CO 0.05 0.00 0.41 0.00 0.09 0.00 0.00 178.44 178.98 1rf4 s ALA 33 N -3.34 2.17 -0.02 1.53 0.00 -0.16 -1.84 121.76 120.10 1rf4 s ALA 33 Ca 0.06 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1rf4 s ALA 33 Cb 0.08 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1rf4 s ALA 33 CO 0.60 -2.43 -0.06 -1.21 0.00 0.00 0.00 175.76 172.66 1rf4 s GLU 34 N -5.82 2.64 0.00 0.00 2.02 -0.36 -1.67 118.70 115.50 1rf4 s GLU 34 Ca 0.72 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 55.06 1rf4 s GLU 34 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.63 1rf4 s GLU 34 CO 0.53 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.84 1rf4 n GLY 35 N 1.74 -0.31 3.92 -1.39 0.00 -1.26 -0.16 105.19 107.73 1rf4 n GLY 35 Ca -0.16 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 1rf4 n GLY 35 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rf4 s GLU 36 N -1.34 3.56 -0.07 1.61 -1.05 -1.26 -1.87 118.70 118.28 1rf4 s GLU 36 Ca 0.00 -0.20 0.04 0.00 -0.15 0.00 0.00 54.97 54.65 1rf4 s GLU 36 Cb 0.00 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.96 1rf4 s GLU 36 CO 0.00 0.29 -0.19 0.99 0.95 0.00 0.00 175.26 177.30 1rf4 s THR 37 N -2.02 1.60 -0.12 1.83 2.01 0.52 -3.57 115.64 115.88 1rf4 s THR 37 Ca 0.41 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1rf4 s THR 37 Cb -0.11 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1rf4 s THR 37 CO 0.30 0.46 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.97 1rf4 s LYS 38 N 0.31 3.22 -0.18 4.92 1.02 -0.34 0.47 119.74 129.17 1rf4 s LYS 38 Ca -0.12 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 1rf4 s LYS 38 Cb -0.15 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.66 1rf4 s LYS 38 CO 0.05 0.17 -0.10 0.08 -0.92 0.00 0.00 175.35 174.64 1rf4 s VAL 39 N 0.41 3.12 0.01 3.17 1.01 0.10 0.18 120.40 128.40 1rf4 s VAL 39 Ca -0.14 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1rf4 s VAL 39 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1rf4 s VAL 39 CO 0.06 0.48 0.04 -0.31 0.00 0.00 0.00 175.10 175.37 1rf4 s TYR 40 N 0.94 3.15 -1.49 5.22 1.51 0.14 -1.91 117.35 124.92 1rf4 s TYR 40 Ca -0.02 0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 56.12 1rf4 s TYR 40 Cb -0.15 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1rf4 s TYR 40 CO -0.00 0.50 0.39 -0.25 -1.11 0.00 0.00 175.55 175.07 1rf4 n ASP 41 N 1.20 -5.36 -4.75 2.29 8.00 -1.26 -1.61 116.55 115.05 1rf4 n ASP 41 Ca -0.13 -0.19 -0.35 0.00 0.71 0.00 0.00 54.79 54.83 1rf4 n ASP 41 Cb 0.53 -4.39 0.05 0.00 -0.02 0.00 0.00 41.12 37.28 1rf4 n ASP 41 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rf4 s ILE 42 N -3.03 2.76 -0.01 0.53 2.07 -1.26 -4.01 121.20 118.25 1rf4 s ILE 42 Ca 0.22 0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 59.58 1rf4 s ILE 42 Cb -0.10 -3.04 -0.04 0.00 0.13 0.00 0.00 42.46 39.40 1rf4 s ILE 42 CO 0.28 -0.16 1.18 -0.22 -1.91 0.00 0.00 174.94 174.10 1rf4 s LEU 43 N -4.53 4.32 -0.45 8.50 0.20 -1.26 -4.57 118.68 120.89 1rf4 s LEU 43 Ca 0.73 1.88 0.04 0.00 0.69 0.00 0.00 54.13 57.47 1rf4 s LEU 43 Cb -0.27 -3.57 0.60 0.00 -0.43 0.00 0.00 46.19 42.53 1rf4 s LEU 43 CO 0.38 -0.51 1.83 0.54 -0.29 0.00 0.00 176.35 178.30 1rf4 n ARG 44 N 4.59 2.27 -1.31 1.98 1.74 -1.26 -4.76 116.66 119.91 1rf4 n ARG 44 Ca 0.10 -3.12 -0.30 0.00 -0.77 0.00 0.00 57.85 53.76 1rf4 n ARG 44 Cb 0.47 -2.13 0.12 0.00 -1.02 0.00 0.00 32.46 29.90 1rf4 n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1rf4 s GLY 45 N -1.68 1.62 0.29 -0.13 0.00 -1.26 -4.81 107.32 101.35 1rf4 s GLY 45 Ca 0.56 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.18 1rf4 s GLY 45 CO 0.07 0.36 1.88 0.83 0.00 0.00 0.00 173.10 176.24 1rf4 h GLU 46 N -1.40 1.00 -0.68 2.90 4.39 -1.26 -2.15 114.58 117.38 1rf4 h GLU 46 Ca -0.49 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 1rf4 h GLU 46 Cb 1.28 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 1rf4 h GLU 46 CO 0.56 0.66 0.31 -0.44 -1.16 0.00 0.00 179.01 178.94 1rf4 h ASP 47 N 1.03 0.90 -0.52 1.42 3.45 -1.82 -0.78 116.42 120.09 1rf4 h ASP 47 Ca 0.43 -0.14 -0.09 0.00 0.43 0.00 0.00 57.03 57.66 1rf4 h ASP 47 Cb 0.32 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.84 1rf4 h ASP 47 CO -0.19 0.79 -0.03 0.58 -1.57 0.00 0.00 179.24 178.83 1rf4 h VAL 48 N 0.94 1.27 -0.25 -1.35 2.07 -1.70 -2.31 116.25 114.92 1rf4 h VAL 48 Ca 0.23 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1rf4 h VAL 48 Cb 0.14 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1rf4 h VAL 48 CO -0.03 0.40 0.07 -0.07 0.02 0.00 0.00 177.57 177.97 1rf4 h LEU 49 N 0.81 0.31 -0.49 2.57 3.38 -1.12 -1.35 115.31 119.43 1rf4 h LEU 49 Ca 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1rf4 h LEU 49 Cb 0.56 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1rf4 h LEU 49 CO 0.03 0.31 0.13 0.28 0.09 0.00 0.00 178.44 179.28 1rf4 h SER 50 N 0.34 0.73 -0.58 -0.43 0.02 -0.61 -1.92 113.55 111.09 1rf4 h SER 50 Ca 0.09 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1rf4 h SER 50 Cb 0.12 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1rf4 h SER 50 CO -0.01 0.76 0.19 0.74 -1.14 0.00 0.00 176.83 177.37 1rf4 h THR 51 N 0.66 1.24 -0.28 -2.27 2.02 -0.85 -1.66 112.91 111.77 1rf4 h THR 51 Ca 0.15 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.54 1rf4 h THR 51 Cb 0.30 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1rf4 h THR 51 CO -0.00 0.30 0.18 0.24 0.37 0.00 0.00 175.52 176.61 1rf4 h MET 52 N 0.81 0.36 -0.31 6.66 2.07 -1.11 -2.42 114.93 120.99 1rf4 h MET 52 Ca 0.19 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.74 1rf4 h MET 52 Cb 0.27 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 1rf4 h MET 52 CO -0.01 0.24 -0.03 0.37 1.07 0.00 0.00 176.91 178.55 1rf4 h GLN 53 N 0.37 0.49 -0.46 1.72 5.75 -1.17 -1.57 115.11 120.23 1rf4 h GLN 53 Ca 0.10 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1rf4 h GLN 53 Cb -0.04 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.42 1rf4 h GLN 53 CO -0.03 0.54 0.29 0.28 -2.65 0.00 0.00 178.83 177.26 1rf4 h VAL 54 N 0.47 1.14 -0.04 2.39 2.07 -0.88 0.41 116.25 121.80 1rf4 h VAL 54 Ca 0.10 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1rf4 h VAL 54 Cb 0.36 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1rf4 h VAL 54 CO 0.01 0.13 -0.59 -0.26 0.02 0.00 0.00 177.57 176.89 1rf4 h PHE 55 N 0.61 0.17 -0.77 1.57 -1.00 -1.08 -1.86 116.94 114.58 1rf4 h PHE 55 Ca 0.17 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.84 1rf4 h PHE 55 Cb -0.03 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.47 1rf4 h PHE 55 CO -0.04 0.68 0.30 0.00 -1.61 0.00 0.00 178.31 177.65 1rf4 h ARG 56 N 0.10 1.16 0.00 1.51 3.08 -0.79 -0.16 114.38 119.27 1rf4 h ARG 56 Ca -0.00 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1rf4 h ARG 56 Cb 1.06 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1rf4 h ARG 56 CO 0.08 0.94 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.38 1rf4 h ASP 57 N 1.12 0.00 -0.18 7.04 3.45 -0.45 -0.42 116.42 126.97 1rf4 h ASP 57 Ca 0.26 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1rf4 h ASP 57 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1rf4 h ASP 57 CO -0.02 0.11 0.00 0.18 -1.57 0.00 0.00 179.24 177.94 1rf4 n LEU 58 N -4.12 1.12 0.00 1.55 4.32 -0.23 -4.21 117.00 115.43 1rf4 n LEU 58 Ca -0.02 -0.54 0.00 0.00 -0.02 0.00 0.00 56.01 55.43 1rf4 n LEU 58 Cb 0.19 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1rf4 n LEU 58 CO 0.33 0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.38 1rf4 n GLY 59 N 0.89 0.72 3.76 -0.72 0.00 -0.17 0.17 105.19 109.84 1rf4 n GLY 59 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1rf4 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 60 N -2.21 4.82 -0.31 1.61 1.01 -0.30 -4.97 120.40 120.05 1rf4 s VAL 60 Ca 0.00 1.39 -0.25 0.00 0.00 0.00 0.00 61.98 63.12 1rf4 s VAL 60 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1rf4 s VAL 60 CO 0.00 0.41 0.87 -1.61 0.00 0.00 0.00 175.10 174.76 1rf4 s GLU 61 N -0.20 3.99 -0.25 2.72 2.02 -1.26 -3.93 118.70 121.79 1rf4 s GLU 61 Ca 0.34 0.72 -0.01 0.00 0.02 0.00 0.00 54.97 56.04 1rf4 s GLU 61 Cb -0.19 -3.73 0.07 0.00 0.10 0.00 0.00 34.13 30.38 1rf4 s GLU 61 CO 0.19 -0.74 0.02 0.42 0.02 0.00 0.00 175.26 175.18 1rf4 s ILE 62 N 3.14 1.09 -0.17 -1.63 1.01 -1.26 -1.94 121.20 121.43 1rf4 s ILE 62 Ca 0.36 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 1rf4 s ILE 62 Cb -0.14 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1rf4 s ILE 62 CO 0.13 -0.34 0.09 -0.70 0.00 0.00 0.00 174.94 174.12 1rf4 s GLU 63 N 1.57 3.85 -0.41 2.79 2.12 -0.36 -4.95 118.70 123.31 1rf4 s GLU 63 Ca 0.01 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 1rf4 s GLU 63 Cb -0.18 -3.22 0.10 0.00 0.26 0.00 0.00 34.13 31.10 1rf4 s GLU 63 CO -0.12 0.40 0.21 0.34 -0.54 0.00 0.00 175.26 175.55 1rf4 s ASP 64 N 0.02 5.32 -0.04 -1.70 3.68 -1.26 -0.67 116.67 122.03 1rf4 s ASP 64 Ca 0.07 -1.92 0.01 0.00 2.13 0.00 0.00 52.55 52.84 1rf4 s ASP 64 Cb -0.12 -1.86 0.02 0.00 -1.45 0.00 0.00 42.92 39.51 1rf4 s ASP 64 CO 0.00 -0.55 -0.04 -0.75 0.13 0.00 0.00 175.17 173.97 1rf4 s LYS 65 N 1.20 0.72 -1.45 4.34 2.20 -0.64 -4.85 119.74 121.26 1rf4 s LYS 65 Ca 0.07 -0.11 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 1rf4 s LYS 65 Cb -0.23 -0.74 0.10 0.00 -1.51 0.00 0.00 37.83 35.45 1rf4 s LYS 65 CO -0.03 -0.05 0.67 -0.25 -0.36 0.00 0.00 175.35 175.34 1rf4 n ASP 66 N 3.86 -3.88 0.00 1.43 8.00 -1.26 -1.13 116.55 123.57 1rf4 n ASP 66 Ca -0.24 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1rf4 n ASP 66 Cb 0.52 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1rf4 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rf4 n GLY 67 N -1.34 0.83 3.32 0.44 0.00 -1.26 -5.03 105.19 102.14 1rf4 n GLY 67 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1rf4 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 68 N -3.24 2.27 -0.26 1.61 1.01 -0.28 -4.43 120.40 117.08 1rf4 s VAL 68 Ca 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 1rf4 s VAL 68 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1rf4 s VAL 68 CO 0.00 0.57 0.24 -0.63 0.00 0.00 0.00 175.10 175.28 1rf4 s ILE 69 N -0.33 5.29 -0.17 2.22 -1.09 -0.80 -1.62 121.20 124.69 1rf4 s ILE 69 Ca 0.02 0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.73 1rf4 s ILE 69 Cb -0.12 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1rf4 s ILE 69 CO 0.02 0.26 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.00 1rf4 s THR 70 N 1.57 3.07 -0.11 2.92 2.01 0.16 0.01 115.64 125.27 1rf4 s THR 70 Ca 0.10 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1rf4 s THR 70 Cb -0.15 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1rf4 s THR 70 CO 0.09 0.49 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1rf4 s VAL 71 N 0.89 2.96 -0.66 3.82 1.01 0.18 -1.22 120.40 127.37 1rf4 s VAL 71 Ca -0.03 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1rf4 s VAL 71 Cb -0.15 -2.22 0.15 0.00 0.00 0.00 0.00 36.38 34.16 1rf4 s VAL 71 CO 0.00 0.54 0.65 -1.10 0.00 0.00 0.00 175.10 175.19 1rf4 s GLN 72 N 0.19 3.22 0.45 2.72 -1.52 -0.82 -0.36 119.66 123.54 1rf4 s GLN 72 Ca -0.08 -1.87 -0.23 0.00 -1.95 0.00 0.00 55.36 51.23 1rf4 s GLN 72 Cb -0.15 -4.36 -0.10 0.00 -0.22 0.00 0.00 33.01 28.17 1rf4 s GLN 72 CO 0.05 -1.38 0.88 0.41 -0.25 0.00 0.00 175.29 175.00 1rf4 n GLY 73 N 4.88 -0.57 0.34 3.09 0.00 -0.78 -4.35 105.19 107.80 1rf4 n GLY 73 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1rf4 n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rf4 n VAL 74 N -0.82 0.89 0.00 1.61 0.24 -0.49 -4.49 118.33 115.27 1rf4 n VAL 74 Ca 0.11 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1rf4 n VAL 74 Cb 0.41 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1rf4 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rf4 n GLY 75 N 0.10 -1.41 0.33 7.63 0.00 -0.67 -2.68 105.19 108.47 1rf4 n GLY 75 Ca 0.06 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.66 1rf4 n GLY 75 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1rf4 h MET 76 N 0.00 0.00 0.00 1.61 4.05 -1.65 -2.33 114.93 116.61 1rf4 h MET 76 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1rf4 h MET 76 Cb 0.00 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1rf4 h MET 76 CO 0.00 0.00 -0.47 0.00 0.23 0.00 0.00 176.91 176.67 1rf4 n ALA 77 N -2.45 3.26 1.22 0.39 0.00 -1.26 -4.78 120.51 116.88 1rf4 n ALA 77 Ca 0.02 -3.04 0.13 0.00 0.00 0.00 0.00 53.44 50.54 1rf4 n ALA 77 Cb 0.32 -0.40 0.34 0.00 0.00 0.00 0.00 19.45 19.70 1rf4 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rf4 n GLY 78 N -0.99 -0.56 3.76 0.00 0.00 -0.88 -4.94 105.19 101.59 1rf4 n GLY 78 Ca 0.17 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1rf4 n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rf4 s LEU 79 N -2.51 4.39 0.10 0.99 1.02 -1.26 -4.93 118.68 116.48 1rf4 s LEU 79 Ca 0.23 2.76 0.06 0.00 0.02 0.00 0.00 54.13 57.21 1rf4 s LEU 79 Cb 0.19 -3.64 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 1rf4 s LEU 79 CO 0.53 -0.67 -0.05 -0.54 0.02 0.00 0.00 176.35 175.64 1rf4 s LYS 80 N -1.32 2.33 0.04 1.70 1.02 0.13 -4.95 119.74 118.68 1rf4 s LYS 80 Ca 0.54 -0.94 -0.34 0.00 0.02 0.00 0.00 55.97 55.25 1rf4 s LYS 80 Cb -0.42 -2.42 -0.12 0.00 -0.52 0.00 0.00 37.83 34.35 1rf4 s LYS 80 CO 0.51 0.52 1.76 0.00 -0.92 0.00 0.00 175.35 177.23 1rf4 n ALA 81 N 0.62 1.25 -1.75 5.17 0.00 -1.26 -4.42 120.51 120.11 1rf4 n ALA 81 Ca -0.12 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 1rf4 n ALA 81 Cb 0.52 -2.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 1rf4 n ALA 81 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rf4 s PRO 82 N 2.71 3.60 0.26 0.00 0.04 -1.26 -4.94 135.00 135.41 1rf4 s PRO 82 Ca 0.86 1.31 0.07 0.00 0.04 0.00 0.00 61.00 63.28 1rf4 s PRO 82 Cb -0.65 -2.07 0.33 0.00 0.04 0.00 0.00 34.50 32.15 1rf4 s PRO 82 CO 0.44 -0.59 1.61 -0.56 0.04 0.00 0.00 177.00 177.94 1rf4 h GLN 83 N 1.12 0.14 0.00 4.56 -0.00 -1.93 -3.47 115.11 115.54 1rf4 h GLN 83 Ca -0.49 -0.09 -0.40 0.00 -0.00 0.00 0.00 58.65 57.67 1rf4 h GLN 83 Cb 1.22 0.01 -0.10 0.00 -0.00 0.00 0.00 27.48 28.61 1rf4 h GLN 83 CO 0.58 0.68 -0.38 0.09 -0.00 0.00 0.00 178.83 179.80 1rf4 n ASN 84 N -3.87 -0.02 -4.77 0.06 3.02 -1.26 -5.14 115.26 103.28 1rf4 n ASN 84 Ca -0.02 -2.76 -0.39 0.00 -0.03 0.00 0.00 54.58 51.38 1rf4 n ASN 84 Cb 0.59 1.18 -0.02 0.00 -0.61 0.00 0.00 39.78 40.93 1rf4 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rf4 s ALA 85 N -3.03 3.30 -0.15 5.41 0.00 -1.26 -4.81 121.76 121.22 1rf4 s ALA 85 Ca 0.27 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1rf4 s ALA 85 Cb 0.01 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1rf4 s ALA 85 CO 0.19 -0.63 1.14 -0.51 0.00 0.00 0.00 175.76 175.95 1rf4 s LEU 86 N -2.21 4.19 -0.67 0.00 1.43 0.14 -4.95 118.68 116.62 1rf4 s LEU 86 Ca 0.54 1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 55.02 1rf4 s LEU 86 Cb -0.36 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.40 1rf4 s LEU 86 CO 0.46 -0.64 0.94 0.21 0.23 0.00 0.00 176.35 177.55 1rf4 s ASN 87 N 1.49 6.20 0.00 2.29 3.84 -1.26 -1.85 114.94 125.65 1rf4 s ASN 87 Ca 0.51 -1.12 0.26 0.00 0.21 0.00 0.00 52.86 52.72 1rf4 s ASN 87 Cb -0.20 -2.40 1.15 0.00 -0.55 0.00 0.00 41.25 39.25 1rf4 s ASN 87 CO 0.14 -1.37 1.85 0.23 -2.79 0.00 0.00 177.10 175.16 1rf4 n MET 88 N 7.45 0.05 0.00 0.43 2.81 0.86 -4.83 117.12 123.89 1rf4 n MET 88 Ca -0.03 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1rf4 n MET 88 Cb 0.45 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 1rf4 n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 89 N 1.19 4.16 0.29 3.03 0.00 -1.25 -2.10 105.19 110.52 1rf4 n GLY 89 Ca 0.07 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.33 1rf4 n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rf4 n ASN 90 N 8.11 1.47 -4.58 1.61 2.85 -1.26 -0.86 115.26 122.59 1rf4 n ASN 90 Ca 0.00 -1.23 -0.42 0.00 -0.11 0.00 0.00 54.58 52.82 1rf4 n ASN 90 Cb 0.00 0.62 -0.02 0.00 1.24 0.00 0.00 39.78 41.61 1rf4 n ASN 90 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1rf4 s SER 91 N -2.18 6.28 0.24 1.20 0.15 -0.89 -4.79 113.70 113.71 1rf4 s SER 91 Ca 0.12 0.22 0.01 0.00 0.70 0.00 0.00 55.95 57.00 1rf4 s SER 91 Cb 0.14 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 62.18 1rf4 s SER 91 CO 0.51 -1.60 1.62 1.23 1.20 0.00 0.00 173.24 176.20 1rf4 h GLY 92 N 12.54 0.50 0.86 9.45 0.00 -1.93 -2.68 103.07 121.82 1rf4 h GLY 92 Ca -0.26 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 46.60 1rf4 h GLY 92 CO 1.18 0.45 0.49 -0.84 0.00 0.00 0.00 176.54 177.82 1rf4 h THR 93 N 0.38 1.11 0.88 4.70 2.02 -1.97 -1.15 112.91 118.88 1rf4 h THR 93 Ca 0.03 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1rf4 h THR 93 Cb 0.89 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1rf4 h THR 93 CO 0.08 0.17 -0.42 0.28 0.37 0.00 0.00 175.52 176.00 1rf4 h SER 94 N 0.95 -1.00 -0.41 4.18 0.02 -1.84 -1.51 113.55 113.94 1rf4 h SER 94 Ca 0.31 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 1rf4 h SER 94 Cb 0.02 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1rf4 h SER 94 CO -0.12 -0.69 0.07 -0.29 -1.14 0.00 0.00 176.83 174.66 1rf4 h ILE 95 N -1.22 1.22 0.04 3.27 2.10 -1.42 -0.58 117.51 120.92 1rf4 h ILE 95 Ca -0.12 -0.85 -0.00 0.00 1.08 0.00 0.00 64.86 64.97 1rf4 h ILE 95 Cb 0.91 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 1rf4 h ILE 95 CO 0.20 0.31 -0.02 0.03 -1.08 0.00 0.00 178.15 177.59 1rf4 h ARG 96 N 0.72 -0.05 -0.39 2.19 3.08 -1.23 -2.44 114.38 116.27 1rf4 h ARG 96 Ca 0.15 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1rf4 h ARG 96 Cb 0.34 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1rf4 h ARG 96 CO 0.01 0.50 0.03 -0.07 -1.07 0.00 0.00 179.97 179.37 1rf4 h LEU 97 N -0.64 0.64 -1.92 3.04 3.38 -1.26 -2.82 115.31 115.73 1rf4 h LEU 97 Ca -0.01 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1rf4 h LEU 97 Cb 0.57 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1rf4 h LEU 97 CO 0.01 0.77 -0.11 0.40 0.09 0.00 0.00 178.44 179.60 1rf4 h ILE 98 N 0.50 0.54 -0.56 1.22 2.04 -1.19 -1.32 117.51 118.73 1rf4 h ILE 98 Ca 0.11 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1rf4 h ILE 98 Cb 0.42 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1rf4 h ILE 98 CO 0.01 0.11 0.21 0.28 0.00 0.00 0.00 178.15 178.77 1rf4 h SER 99 N 0.00 0.74 0.75 1.72 0.02 -1.17 -0.97 113.55 114.64 1rf4 h SER 99 Ca -0.00 -0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 60.63 1rf4 h SER 99 Cb 0.33 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1rf4 h SER 99 CO 0.01 0.67 -1.05 1.23 -1.14 0.00 0.00 176.83 176.56 1rf4 h GLY 100 N 0.93 0.17 1.56 -3.77 0.00 -1.29 -3.12 103.07 97.55 1rf4 h GLY 100 Ca 0.19 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1rf4 h GLY 100 CO -0.02 0.34 0.01 -2.08 0.00 0.00 0.00 176.54 174.79 1rf4 h VAL 101 N 0.05 1.20 -0.04 4.60 2.07 -0.73 -1.99 116.25 121.40 1rf4 h VAL 101 Ca -0.06 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1rf4 h VAL 101 Cb 1.76 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1rf4 h VAL 101 CO 0.16 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.20 1rf4 n LEU 102 N -4.28 1.27 -0.10 2.57 4.77 -0.43 -4.16 117.00 116.65 1rf4 n LEU 102 Ca 0.02 -0.45 0.22 0.00 -0.03 0.00 0.00 56.01 55.77 1rf4 n LEU 102 Cb 0.24 -0.02 0.67 0.00 -2.33 0.00 0.00 43.42 41.98 1rf4 n LEU 102 CO 0.39 0.23 1.22 0.00 -1.33 0.00 0.00 177.39 177.89 1rf4 h ALA 103 N 4.21 2.55 -0.08 -1.18 0.00 -1.29 0.65 119.26 124.12 1rf4 h ALA 103 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rf4 h ALA 103 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rf4 h ALA 103 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 179.25 178.91 1rf4 n GLY 104 N -1.64 0.99 3.67 0.00 0.00 -1.26 -2.24 105.19 104.71 1rf4 n GLY 104 Ca 0.14 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1rf4 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 s ALA 105 N -1.83 3.62 -1.49 4.61 0.00 0.22 -4.37 121.76 122.52 1rf4 s ALA 105 Ca 0.28 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.88 1rf4 s ALA 105 Cb 0.19 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1rf4 s ALA 105 CO 0.29 -1.17 2.76 -3.47 0.00 0.00 0.00 175.76 174.16 1rf4 n ASP 106 N 6.45 8.47 -3.58 0.00 2.03 -1.26 -1.62 116.55 127.03 1rf4 n ASP 106 Ca 0.15 -2.79 -0.06 0.00 0.52 0.00 0.00 54.79 52.61 1rf4 n ASP 106 Cb 0.44 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 1rf4 n ASP 106 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 1rf4 s PHE 107 N 0.89 -0.23 0.12 -0.67 -0.12 -1.26 -4.99 117.98 111.72 1rf4 s PHE 107 Ca 0.64 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 57.62 1rf4 s PHE 107 Cb 0.18 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 43.09 1rf4 s PHE 107 CO -0.07 -0.50 0.24 -2.00 -0.05 0.00 0.00 175.22 172.84 1rf4 s GLU 108 N -2.93 3.37 0.14 1.99 2.12 -1.26 -3.47 118.70 118.66 1rf4 s GLU 108 Ca 0.08 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 1rf4 s GLU 108 Cb -0.00 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1rf4 s GLU 108 CO -0.05 0.54 0.28 0.54 -0.54 0.00 0.00 175.26 176.03 1rf4 s VAL 109 N -1.66 0.09 -0.10 3.70 0.11 0.17 -4.84 120.40 117.87 1rf4 s VAL 109 Ca 0.34 -1.19 0.04 0.00 -2.93 0.00 0.00 61.98 58.24 1rf4 s VAL 109 Cb -0.12 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1rf4 s VAL 109 CO 0.28 -0.41 -0.23 -0.70 -3.33 0.00 0.00 175.10 170.70 1rf4 s GLU 110 N -3.91 2.96 -0.15 1.54 2.12 -1.26 -0.70 118.70 119.30 1rf4 s GLU 110 Ca 0.11 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.59 1rf4 s GLU 110 Cb 0.03 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.18 1rf4 s GLU 110 CO -0.05 0.18 -0.18 -1.64 -0.54 0.00 0.00 175.26 173.02 1rf4 s MET 111 N 0.35 3.13 0.26 4.30 -1.94 0.00 0.28 119.30 125.68 1rf4 s MET 111 Ca -0.18 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.02 1rf4 s MET 111 Cb -0.18 -2.56 -0.05 0.00 2.01 0.00 0.00 34.83 34.05 1rf4 s MET 111 CO 0.09 -0.03 0.07 -0.59 -0.01 0.00 0.00 175.02 174.55 1rf4 s PHE 112 N 0.89 1.60 0.00 -0.03 -0.71 -0.77 -0.39 117.98 118.56 1rf4 s PHE 112 Ca -0.04 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 54.75 1rf4 s PHE 112 Cb -0.15 -0.96 0.00 0.00 -1.21 0.00 0.00 43.02 40.70 1rf4 s PHE 112 CO -0.02 -0.23 0.00 0.41 -1.34 0.00 0.00 175.22 174.04 1rf4 n GLY 113 N -0.49 3.49 3.93 1.99 0.00 -1.26 -0.10 105.19 112.75 1rf4 n GLY 113 Ca -0.01 -1.30 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1rf4 n GLY 113 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rf4 s ASP 114 N -0.22 4.21 0.28 1.61 3.84 -0.04 -4.71 116.67 121.64 1rf4 s ASP 114 Ca 0.00 0.34 -0.02 0.00 -0.00 0.00 0.00 52.55 52.87 1rf4 s ASP 114 Cb 0.00 -0.75 0.61 0.00 -1.38 0.00 0.00 42.92 41.40 1rf4 s ASP 114 CO 0.00 -2.01 1.62 -2.24 -0.00 0.00 0.00 175.17 172.54 1rf4 h ASP 115 N -0.96 -0.27 -0.08 2.11 -0.00 -1.98 0.78 116.42 116.02 1rf4 h ASP 115 Ca -0.43 0.22 0.04 0.00 -0.00 0.00 0.00 57.03 56.85 1rf4 h ASP 115 Cb 1.29 0.36 -0.04 0.00 -0.00 0.00 0.00 39.33 40.93 1rf4 h ASP 115 CO 0.52 -0.22 -0.17 -1.28 -0.00 0.00 0.00 179.24 178.09 1rf4 h SER 116 N 0.11 -0.51 -0.49 4.15 0.87 -1.92 -2.75 113.55 113.01 1rf4 h SER 116 Ca 0.51 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 61.08 1rf4 h SER 116 Cb 0.99 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 1rf4 h SER 116 CO -0.73 -0.22 0.06 0.25 -0.53 0.00 0.00 176.83 175.65 1rf4 h LEU 117 N -0.24 0.85 0.00 2.23 6.46 -1.20 -2.69 115.31 120.72 1rf4 h LEU 117 Ca 0.08 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1rf4 h LEU 117 Cb 0.35 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1rf4 h LEU 117 CO -0.22 0.87 0.00 -1.20 -0.62 0.00 0.00 178.44 177.27 1rf4 n SER 118 N -4.23 0.00 -0.54 1.25 7.64 -0.08 -1.86 113.62 115.80 1rf4 n SER 118 Ca 0.03 0.35 0.12 0.00 1.01 0.00 0.00 58.87 60.38 1rf4 n SER 118 Cb 0.28 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.16 1rf4 n SER 118 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1rf4 n LYS 119 N -1.41 1.37 -3.87 1.43 5.02 -1.02 -4.17 118.16 115.51 1rf4 n LYS 119 Ca 0.03 -1.09 -0.36 0.00 -2.02 0.00 0.00 58.31 54.86 1rf4 n LYS 119 Cb 0.09 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.55 1rf4 n LYS 119 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rf4 s ARG 120 N -2.38 3.62 0.23 1.97 0.52 -0.77 -5.06 118.95 117.07 1rf4 s ARG 120 Ca 0.22 -0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1rf4 s ARG 120 Cb 0.19 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.34 1rf4 s ARG 120 CO 0.51 0.64 1.32 -1.25 0.02 0.00 0.00 175.30 176.55 1rf4 s PRO 121 N -0.64 4.37 0.00 3.54 0.04 -1.26 -4.25 135.00 136.81 1rf4 s PRO 121 Ca 0.13 2.11 0.09 0.00 0.04 0.00 0.00 61.00 63.37 1rf4 s PRO 121 Cb -0.12 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.32 1rf4 s PRO 121 CO 0.02 -0.26 0.76 -1.33 0.04 0.00 0.00 177.00 176.24 1rf4 n MET 122 N 2.26 0.70 -0.20 4.56 2.81 -0.68 -4.57 117.12 121.99 1rf4 n MET 122 Ca 0.05 -0.96 0.07 0.00 -1.81 0.00 0.00 57.70 55.05 1rf4 n MET 122 Cb 0.42 -1.15 0.35 0.00 -0.71 0.00 0.00 33.22 32.13 1rf4 n MET 122 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1rf4 h ASP 123 N 1.69 0.67 -0.36 7.83 2.03 -1.50 0.47 116.42 127.25 1rf4 h ASP 123 Ca 0.00 0.01 0.10 0.00 -0.73 0.00 0.00 57.03 56.41 1rf4 h ASP 123 Cb 0.38 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 1rf4 h ASP 123 CO 0.00 0.42 0.34 0.08 -1.03 0.00 0.00 179.24 179.05 1rf4 h ARG 124 N 0.76 0.00 0.00 4.15 0.11 -1.87 -1.77 114.38 115.76 1rf4 h ARG 124 Ca 0.34 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.30 1rf4 h ARG 124 Cb 0.33 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1rf4 h ARG 124 CO -0.12 0.00 -1.79 1.55 0.10 0.00 0.00 179.97 179.71 1rf4 n VAL 125 N -3.92 0.46 0.02 0.08 3.14 -0.15 -4.50 118.33 113.45 1rf4 n VAL 125 Ca 0.06 -0.45 -0.11 0.00 -2.96 0.00 0.00 64.34 60.88 1rf4 n VAL 125 Cb 0.51 -0.24 0.03 0.00 -1.06 0.00 0.00 33.84 33.08 1rf4 n VAL 125 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1rf4 h THR 126 N 0.00 1.34 0.34 1.55 1.35 -0.37 -2.69 112.91 114.43 1rf4 h THR 126 Ca -0.18 -1.95 -0.02 0.00 -0.55 0.00 0.00 66.41 63.71 1rf4 h THR 126 Cb 1.24 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1rf4 h THR 126 CO 0.01 0.60 -0.16 0.25 -0.25 0.00 0.00 175.52 175.97 1rf4 h LEU 127 N 0.39 -0.38 -0.33 3.87 6.46 -1.59 -1.45 115.31 122.28 1rf4 h LEU 127 Ca -0.01 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1rf4 h LEU 127 Cb 1.21 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.23 1rf4 h LEU 127 CO 0.12 -0.25 0.01 1.55 -0.62 0.00 0.00 178.44 179.25 1rf4 h PRO 128 N -0.49 0.57 -0.59 5.25 0.13 -1.79 -3.00 132.00 132.08 1rf4 h PRO 128 Ca -0.05 -0.18 0.05 0.00 -0.87 0.00 0.00 66.00 64.96 1rf4 h PRO 128 Cb 0.37 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1rf4 h PRO 128 CO 0.08 0.69 0.39 -0.07 -0.23 0.00 0.00 178.00 178.86 1rf4 h LEU 129 N 0.38 0.53 -1.08 1.56 -0.00 -1.44 -1.37 115.31 113.89 1rf4 h LEU 129 Ca 0.09 -0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.88 1rf4 h LEU 129 Cb 0.43 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1rf4 h LEU 129 CO 0.01 0.35 -0.46 0.11 -0.00 0.00 0.00 178.44 178.46 1rf4 h LYS 130 N 0.61 0.00 -0.29 1.13 1.57 -1.18 -1.96 116.57 116.44 1rf4 h LYS 130 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1rf4 h LYS 130 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1rf4 h LYS 130 CO -0.07 0.46 0.13 0.87 -0.57 0.00 0.00 179.45 180.27 1rf4 h LYS 131 N 0.00 0.40 0.00 3.15 1.57 -1.11 -0.66 116.57 119.92 1rf4 h LYS 131 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1rf4 h LYS 131 Cb 0.82 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1rf4 h LYS 131 CO 0.06 0.33 0.00 -1.33 -0.57 0.00 0.00 179.45 177.94 1rf4 n MET 132 N -4.43 0.07 0.00 3.15 2.81 -0.87 -4.88 117.12 112.97 1rf4 n MET 132 Ca 0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1rf4 n MET 132 Cb 0.12 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 1rf4 n MET 132 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 133 N 1.34 0.83 3.76 3.03 0.00 -0.26 -0.87 105.19 113.02 1rf4 n GLY 133 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1rf4 n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 134 N -2.00 3.80 -0.41 1.61 1.01 -0.79 -4.69 120.40 118.93 1rf4 s VAL 134 Ca 0.00 1.69 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 1rf4 s VAL 134 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1rf4 s VAL 134 CO 0.00 0.32 0.28 -0.55 0.00 0.00 0.00 175.10 175.15 1rf4 s SER 135 N -1.18 5.97 0.00 3.32 0.15 -0.57 -3.89 113.70 117.50 1rf4 s SER 135 Ca 0.46 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1rf4 s SER 135 Cb -0.27 -2.11 -0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1rf4 s SER 135 CO 0.34 -0.47 -0.01 -0.63 1.20 0.00 0.00 173.24 173.66 1rf4 s ILE 136 N 1.61 0.09 -0.13 6.45 1.01 -1.26 -1.14 121.20 127.83 1rf4 s ILE 136 Ca 0.04 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 1rf4 s ILE 136 Cb -0.20 -0.09 0.06 0.00 0.01 0.00 0.00 42.46 42.23 1rf4 s ILE 136 CO 0.08 -0.02 0.58 -0.94 0.00 0.00 0.00 174.94 174.64 1rf4 s SER 137 N -0.15 -0.57 0.00 3.58 1.04 -0.92 -4.99 113.70 111.69 1rf4 s SER 137 Ca -0.01 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1rf4 s SER 137 Cb -0.01 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1rf4 s SER 137 CO -0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 1rf4 n GLY 138 N 1.86 6.89 3.76 7.32 0.00 -1.26 -1.25 105.19 122.51 1rf4 n GLY 138 Ca -0.17 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1rf4 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf4 s GLN 139 N 1.08 4.14 0.17 1.61 1.11 0.14 -4.67 119.66 123.24 1rf4 s GLN 139 Ca 0.00 0.21 0.00 0.00 0.01 0.00 0.00 55.36 55.58 1rf4 s GLN 139 Cb 0.00 -3.37 0.00 0.00 -1.01 0.00 0.00 33.01 28.63 1rf4 s GLN 139 CO 0.00 0.36 0.00 0.25 0.01 0.00 0.00 175.29 175.91 1rf4 n THR 140 N 3.10 0.00 0.30 -0.19 -2.24 -1.26 -0.94 114.28 113.05 1rf4 n THR 140 Ca -0.12 0.15 0.08 0.00 -2.27 0.00 0.00 64.05 61.89 1rf4 n THR 140 Cb 0.52 -0.33 0.37 0.00 -2.10 0.00 0.00 70.33 68.79 1rf4 n THR 140 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1rf4 n GLU 141 N -3.03 0.09 -0.01 -0.78 0.28 -1.26 -1.30 120.64 114.64 1rf4 n GLU 141 Ca -0.01 0.43 0.14 0.00 -0.16 0.00 0.00 57.16 57.56 1rf4 n GLU 141 Cb 0.24 -1.72 0.54 0.00 1.43 0.00 0.00 31.44 31.93 1rf4 n GLU 141 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1rf4 n ARG 142 N -1.90 1.61 -3.68 3.44 1.74 -1.26 -4.83 116.66 111.79 1rf4 n ARG 142 Ca 0.01 -0.89 -0.29 0.00 -0.77 0.00 0.00 57.85 55.92 1rf4 n ARG 142 Cb 0.13 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1rf4 n ARG 142 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1rf4 n ASP 143 N 0.08 -5.41 -4.83 0.55 8.00 -0.42 -1.69 116.55 112.83 1rf4 n ASP 143 Ca 0.19 -0.94 -0.32 0.00 0.71 0.00 0.00 54.79 54.43 1rf4 n ASP 143 Cb 0.32 -3.12 -0.06 0.00 -0.02 0.00 0.00 41.12 38.25 1rf4 n ASP 143 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rf4 s LEU 144 N -6.06 3.87 0.72 0.64 1.43 -0.12 -1.84 118.68 117.32 1rf4 s LEU 144 Ca 0.35 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 1rf4 s LEU 144 Cb -0.14 -4.41 0.03 0.00 0.03 0.00 0.00 46.19 41.70 1rf4 s LEU 144 CO 0.87 -0.39 1.24 -2.84 0.23 0.00 0.00 176.35 175.45 1rf4 s PRO 145 N -3.42 2.17 0.46 1.29 0.02 -1.26 -0.68 135.00 133.58 1rf4 s PRO 145 Ca 0.59 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 63.27 1rf4 s PRO 145 Cb -0.10 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1rf4 s PRO 145 CO 0.20 -1.84 1.05 -1.25 -0.33 0.00 0.00 177.00 174.83 1rf4 s PRO 146 N -3.76 3.87 0.13 5.54 0.04 -1.26 -4.71 135.00 134.84 1rf4 s PRO 146 Ca 0.77 1.44 0.07 0.00 0.04 0.00 0.00 61.00 63.32 1rf4 s PRO 146 Cb -0.32 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1rf4 s PRO 146 CO 0.44 -0.39 -0.04 -0.51 0.04 0.00 0.00 177.00 176.55 1rf4 s LEU 147 N -3.24 3.25 -0.10 -3.56 1.43 0.47 -4.12 118.68 112.81 1rf4 s LEU 147 Ca 0.65 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1rf4 s LEU 147 Cb -0.19 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 1rf4 s LEU 147 CO 0.23 0.14 -0.20 -0.13 0.23 0.00 0.00 176.35 176.63 1rf4 s ARG 148 N -2.51 3.09 0.00 1.70 0.52 -0.38 -0.82 118.95 120.56 1rf4 s ARG 148 Ca 0.25 -0.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1rf4 s ARG 148 Cb -0.11 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 32.96 1rf4 s ARG 148 CO 0.17 0.23 -0.05 -1.17 0.02 0.00 0.00 175.30 174.49 1rf4 s LEU 149 N 0.25 2.04 -0.14 2.53 0.20 0.12 -2.18 118.68 121.50 1rf4 s LEU 149 Ca -0.14 -0.14 -0.04 0.00 0.69 0.00 0.00 54.13 54.50 1rf4 s LEU 149 Cb -0.17 -0.24 0.06 0.00 -0.43 0.00 0.00 46.19 45.41 1rf4 s LEU 149 CO 0.07 0.03 0.13 -0.75 -0.29 0.00 0.00 176.35 175.54 1rf4 s LYS 150 N -0.29 0.07 0.05 1.98 2.20 -0.29 0.46 119.74 123.91 1rf4 s LYS 150 Ca 0.00 0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.80 1rf4 s LYS 150 Cb -0.03 -1.15 0.01 0.00 -1.51 0.00 0.00 37.83 35.16 1rf4 s LYS 150 CO -0.00 -0.54 0.07 0.41 -0.36 0.00 0.00 175.35 174.93 1rf4 n GLY 151 N 5.30 -0.80 3.10 5.54 0.00 -0.64 -1.51 105.19 116.19 1rf4 n GLY 151 Ca -0.05 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1rf4 n GLY 151 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rf4 s THR 152 N -0.93 0.14 -0.95 2.61 -4.23 -0.95 -4.51 115.64 106.81 1rf4 s THR 152 Ca 0.04 -1.17 0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1rf4 s THR 152 Cb -0.00 -0.93 0.23 0.00 1.34 0.00 0.00 72.50 73.15 1rf4 s THR 152 CO 0.03 -0.64 1.87 0.29 -0.54 0.00 0.00 174.62 175.63 1rf4 n LYS 153 N 0.74 0.05 -2.70 3.99 4.76 -1.26 -3.84 118.16 119.89 1rf4 n LYS 153 Ca -0.19 0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 54.98 1rf4 n LYS 153 Cb 0.59 -1.55 -0.01 0.00 -1.84 0.00 0.00 35.03 32.21 1rf4 n LYS 153 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1rf4 n ASN 154 N -1.64 5.38 -4.76 4.39 3.02 -1.26 -5.03 115.26 115.35 1rf4 n ASN 154 Ca 0.07 -3.71 -0.41 0.00 -0.03 0.00 0.00 54.58 50.50 1rf4 n ASN 154 Cb 0.36 -0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 1rf4 n ASN 154 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1rf4 s LEU 155 N -3.72 4.42 -0.14 3.41 0.20 -1.25 -4.91 118.68 116.70 1rf4 s LEU 155 Ca 0.47 2.67 -0.07 0.00 0.69 0.00 0.00 54.13 57.88 1rf4 s LEU 155 Cb 0.30 -3.64 -0.04 0.00 -0.43 0.00 0.00 46.19 42.37 1rf4 s LEU 155 CO -0.17 -0.56 0.11 -0.13 -0.29 0.00 0.00 176.35 175.32 1rf4 s ARG 156 N -1.49 3.64 0.80 1.98 0.52 -0.05 -3.43 118.95 120.93 1rf4 s ARG 156 Ca 0.51 -0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 55.36 1rf4 s ARG 156 Cb -0.40 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 31.86 1rf4 s ARG 156 CO 0.51 0.60 0.56 -0.35 0.02 0.00 0.00 175.30 176.63 1rf4 n PRO 157 N 2.56 0.12 -4.46 3.54 -0.04 -1.26 -4.53 135.00 130.92 1rf4 n PRO 157 Ca -0.18 0.09 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 1rf4 n PRO 157 Cb 0.54 -1.90 -0.13 0.00 -0.04 0.00 0.00 33.50 31.97 1rf4 n PRO 157 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rf4 s ILE 158 N -2.07 3.67 -0.33 0.52 1.10 -1.26 -4.81 121.20 118.01 1rf4 s ILE 158 Ca 0.64 -0.43 0.00 0.00 -0.51 0.00 0.00 60.65 60.34 1rf4 s ILE 158 Cb -0.30 -2.60 0.08 0.00 0.15 0.00 0.00 42.46 39.79 1rf4 s ILE 158 CO 0.60 0.50 0.05 -1.00 -2.11 0.00 0.00 174.94 172.98 1rf4 s HIS 159 N 0.43 3.49 -0.06 3.50 3.76 -1.26 -0.45 115.29 124.70 1rf4 s HIS 159 Ca -0.05 -2.40 -0.05 0.00 -0.15 0.00 0.00 55.06 52.41 1rf4 s HIS 159 Cb -0.15 -2.61 0.02 0.00 1.11 0.00 0.00 32.58 30.96 1rf4 s HIS 159 CO 0.03 -0.90 0.16 -0.47 -0.85 0.00 0.00 174.74 172.71 1rf4 s TYR 160 N 1.10 -0.18 -0.41 1.40 6.14 -0.46 -4.98 117.35 119.96 1rf4 s TYR 160 Ca 0.02 0.45 -0.09 0.00 0.64 0.00 0.00 57.07 58.09 1rf4 s TYR 160 Cb -0.20 0.03 0.07 0.00 0.42 0.00 0.00 41.96 42.28 1rf4 s TYR 160 CO -0.04 -0.11 0.25 -2.00 0.64 0.00 0.00 175.55 174.28 1rf4 s GLU 161 N 0.37 2.61 0.25 4.97 -6.30 -1.26 -0.95 118.70 118.38 1rf4 s GLU 161 Ca -0.02 -1.42 -0.31 0.00 -2.50 0.00 0.00 54.97 50.72 1rf4 s GLU 161 Cb -0.04 -3.76 -0.11 0.00 0.00 0.00 0.00 34.13 30.23 1rf4 s GLU 161 CO -0.02 -0.92 1.61 -0.51 0.02 0.00 0.00 175.26 175.44 1rf4 s LEU 162 N 1.43 4.36 0.06 2.70 1.02 -0.48 -4.90 118.68 122.87 1rf4 s LEU 162 Ca 0.03 2.85 0.27 0.00 0.02 0.00 0.00 54.13 57.30 1rf4 s LEU 162 Cb -0.22 -3.62 0.95 0.00 0.02 0.00 0.00 46.19 43.32 1rf4 s LEU 162 CO 0.02 -0.89 1.77 -0.81 0.02 0.00 0.00 176.35 176.46 1rf4 n PRO 163 N 2.93 0.09 -4.12 1.29 -0.04 -1.26 -4.06 135.00 129.83 1rf4 n PRO 163 Ca 0.11 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.48 1rf4 n PRO 163 Cb 0.37 -1.59 -0.11 0.00 -0.04 0.00 0.00 33.50 32.13 1rf4 n PRO 163 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1rf4 s ILE 164 N -3.04 0.78 -1.18 0.52 -4.36 -1.26 -5.01 121.20 107.64 1rf4 s ILE 164 Ca 0.12 -1.29 -0.16 0.00 -0.26 0.00 0.00 60.65 59.07 1rf4 s ILE 164 Cb 0.17 -0.92 -0.05 0.00 1.25 0.00 0.00 42.46 42.90 1rf4 s ILE 164 CO 0.59 -0.39 2.18 0.00 0.24 0.00 0.00 174.94 177.55 1rf4 n ALA 165 N 1.17 4.85 -3.50 2.27 0.00 -1.26 -4.51 120.51 119.53 1rf4 n ALA 165 Ca -0.21 -3.49 -0.35 0.00 0.00 0.00 0.00 53.44 49.39 1rf4 n ALA 165 Cb 0.55 -3.52 -0.14 0.00 0.00 0.00 0.00 19.45 16.35 1rf4 n ALA 165 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1rf4 s SER 166 N 3.78 4.34 0.19 0.00 0.15 -1.26 -4.88 113.70 116.02 1rf4 s SER 166 Ca 0.52 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.74 1rf4 s SER 166 Cb 0.14 -1.74 0.12 0.00 -1.71 0.00 0.00 66.02 62.83 1rf4 s SER 166 CO -0.01 -0.04 1.48 0.00 1.20 0.00 0.00 173.24 175.88 1rf4 h ALA 167 N 8.11 0.68 -0.35 5.45 0.00 -1.90 -2.89 119.26 128.37 1rf4 h ALA 167 Ca -0.40 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 1rf4 h ALA 167 Cb 1.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1rf4 h ALA 167 CO 0.60 0.75 0.15 1.96 0.00 0.00 0.00 179.25 182.71 1rf4 h GLN 168 N 0.26 0.51 -0.63 0.00 4.20 -1.93 0.72 115.11 118.24 1rf4 h GLN 168 Ca -0.02 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1rf4 h GLN 168 Cb 1.23 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 1rf4 h GLN 168 CO 0.11 0.49 0.12 0.28 -0.67 0.00 0.00 178.83 179.17 1rf4 h VAL 169 N 0.42 1.25 -0.32 -0.54 2.07 -1.93 -0.80 116.25 116.40 1rf4 h VAL 169 Ca 0.12 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1rf4 h VAL 169 Cb 0.16 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1rf4 h VAL 169 CO -0.01 0.36 0.16 0.50 0.02 0.00 0.00 177.57 178.60 1rf4 h LYS 170 N 0.95 0.45 -0.19 1.57 3.64 -1.26 -1.92 116.57 119.81 1rf4 h LYS 170 Ca 0.20 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1rf4 h LYS 170 Cb 0.38 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1rf4 h LYS 170 CO 0.01 0.41 0.08 0.77 -2.27 0.00 0.00 179.45 178.45 1rf4 h SER 171 N 0.39 0.26 -0.30 4.20 0.02 -0.55 -0.60 113.55 116.96 1rf4 h SER 171 Ca 0.11 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.97 1rf4 h SER 171 Cb 0.09 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1rf4 h SER 171 CO -0.02 0.33 -0.04 0.00 -1.14 0.00 0.00 176.83 175.97 1rf4 h ALA 172 N 0.94 0.23 -0.79 3.77 0.00 -1.10 -0.48 119.26 121.83 1rf4 h ALA 172 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1rf4 h ALA 172 Cb 0.15 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1rf4 h ALA 172 CO -0.01 -0.44 0.46 -0.07 0.00 0.00 0.00 179.25 179.20 1rf4 h LEU 173 N 0.04 0.96 -0.27 0.00 4.07 -1.10 -1.05 115.31 117.96 1rf4 h LEU 173 Ca 0.14 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1rf4 h LEU 173 Cb 0.21 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1rf4 h LEU 173 CO -0.28 0.75 0.06 0.24 -1.08 0.00 0.00 178.44 178.14 1rf4 h MET 174 N 1.10 0.44 -0.78 1.13 2.86 -0.31 0.16 114.93 119.52 1rf4 h MET 174 Ca 0.28 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1rf4 h MET 174 Cb -0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 1rf4 h MET 174 CO -0.05 0.53 0.50 0.74 1.06 0.00 0.00 176.91 179.69 1rf4 h PHE 175 N 0.27 0.94 -0.75 -0.22 0.05 -0.76 -0.79 116.94 115.68 1rf4 h PHE 175 Ca 0.09 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.87 1rf4 h PHE 175 Cb 0.29 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.89 1rf4 h PHE 175 CO 0.01 0.55 0.35 0.00 -0.18 0.00 0.00 178.31 179.04 1rf4 h ALA 176 N 1.32 0.96 -0.76 2.45 0.00 -0.90 -2.70 119.26 119.63 1rf4 h ALA 176 Ca 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1rf4 h ALA 176 Cb -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1rf4 h ALA 176 CO -0.10 0.54 0.43 0.00 0.00 0.00 0.00 179.25 180.12 1rf4 h ALA 177 N 1.17 1.32 -0.02 0.00 0.00 0.47 -1.87 119.26 120.33 1rf4 h ALA 177 Ca 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rf4 h ALA 177 Cb 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1rf4 h ALA 177 CO -0.03 0.56 0.10 -0.07 0.00 0.00 0.00 179.25 179.81 1rf4 h LEU 178 N 1.06 0.00 0.00 0.00 4.07 -0.85 -2.11 115.31 117.49 1rf4 h LEU 178 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1rf4 h LEU 178 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1rf4 h LEU 178 CO -0.05 0.00 -1.08 0.00 -1.08 0.00 0.00 178.44 176.23 1rf4 n GLN 179 N -3.15 1.50 -2.34 1.13 6.02 -0.75 -1.04 117.38 118.75 1rf4 n GLN 179 Ca -0.02 -0.05 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 1rf4 n GLN 179 Cb 0.17 -1.26 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 1rf4 n GLN 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rf4 s ALA 180 N -2.64 3.06 -0.52 -1.58 0.00 -0.79 -4.71 121.76 114.58 1rf4 s ALA 180 Ca 0.01 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 1rf4 s ALA 180 Cb 0.11 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 20.20 1rf4 s ALA 180 CO 0.61 -0.29 0.52 0.15 0.00 0.00 0.00 175.76 176.75 1rf4 s LYS 181 N -4.17 3.02 0.00 0.00 1.02 -1.22 -1.89 119.74 116.50 1rf4 s LYS 181 Ca 0.59 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1rf4 s LYS 181 Cb -0.10 -4.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 1rf4 s LYS 181 CO 0.33 -1.23 0.00 0.41 -0.92 0.00 0.00 175.35 173.94 1rf4 n GLY 182 N 5.22 0.86 3.62 -3.33 0.00 -0.41 -4.40 105.19 106.75 1rf4 n GLY 182 Ca -0.11 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 1rf4 n GLY 182 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf4 s GLU 183 N -1.23 4.03 0.05 1.61 2.12 -1.26 -0.81 118.70 123.21 1rf4 s GLU 183 Ca 0.00 -0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.28 1rf4 s GLU 183 Cb 0.00 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1rf4 s GLU 183 CO 0.00 -0.17 0.14 -1.12 -0.54 0.00 0.00 175.26 173.57 1rf4 s SER 184 N 1.49 5.97 -0.14 -1.70 0.01 0.05 -4.63 113.70 114.77 1rf4 s SER 184 Ca 0.13 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.54 1rf4 s SER 184 Cb -0.15 -1.75 0.04 0.00 0.21 0.00 0.00 66.02 64.37 1rf4 s SER 184 CO 0.09 0.20 -0.03 0.68 0.41 0.00 0.00 173.24 174.59 1rf4 s VAL 185 N -1.40 0.82 -0.24 3.43 -7.23 0.41 -1.09 120.40 115.10 1rf4 s VAL 185 Ca 0.30 -0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1rf4 s VAL 185 Cb -0.13 -1.02 0.01 0.00 0.56 0.00 0.00 36.38 35.81 1rf4 s VAL 185 CO 0.23 0.15 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.50 1rf4 s ILE 186 N 1.77 3.14 -0.29 -0.62 1.01 0.13 -1.36 121.20 124.98 1rf4 s ILE 186 Ca 0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1rf4 s ILE 186 Cb -0.14 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.81 1rf4 s ILE 186 CO -0.07 0.29 0.08 -0.63 0.00 0.00 0.00 174.94 174.61 1rf4 s ILE 187 N 1.40 4.03 0.49 2.92 1.01 -0.13 -0.35 121.20 130.58 1rf4 s ILE 187 Ca 0.03 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1rf4 s ILE 187 Cb -0.15 -3.04 -0.07 0.00 0.01 0.00 0.00 42.46 39.20 1rf4 s ILE 187 CO -0.04 0.13 1.09 -1.61 0.00 0.00 0.00 174.94 174.52 1rf4 s GLU 188 N 1.52 3.68 0.09 2.79 2.02 -0.61 -1.38 118.70 126.82 1rf4 s GLU 188 Ca 0.03 1.55 0.01 0.00 0.02 0.00 0.00 54.97 56.58 1rf4 s GLU 188 Cb -0.17 -2.18 -0.25 0.00 0.10 0.00 0.00 34.13 31.64 1rf4 s GLU 188 CO 0.03 -0.56 1.20 -0.22 0.02 0.00 0.00 175.26 175.73 1rf4 h LYS 189 N 1.65 0.14 -3.14 1.61 3.64 -1.79 -3.46 116.57 115.21 1rf4 h LYS 189 Ca -0.49 -0.24 -0.07 0.00 -1.27 0.00 0.00 60.65 58.57 1rf4 h LYS 189 Cb 1.24 0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 32.99 1rf4 h LYS 189 CO 0.59 1.11 -0.10 -1.21 -2.27 0.00 0.00 179.45 177.57 1rf4 s GLU 190 N -2.68 0.96 0.11 1.90 0.41 -1.26 -4.98 118.70 113.15 1rf4 s GLU 190 Ca -0.02 -0.46 -0.31 0.00 -0.41 0.00 0.00 54.97 53.77 1rf4 s GLU 190 Cb 0.08 0.42 -0.09 0.00 -1.78 0.00 0.00 34.13 32.77 1rf4 s GLU 190 CO 0.85 -0.34 1.56 0.71 -0.49 0.00 0.00 175.26 177.55 1rf4 s TYR 191 N -2.85 2.82 0.42 1.61 1.51 -1.26 -4.85 117.35 114.76 1rf4 s TYR 191 Ca -0.03 0.57 0.06 0.00 -1.01 0.00 0.00 57.07 56.66 1rf4 s TYR 191 Cb -0.00 -3.88 -0.07 0.00 -0.11 0.00 0.00 41.96 37.90 1rf4 s TYR 191 CO -0.05 -3.36 0.02 0.95 -1.11 0.00 0.00 175.55 171.99 1rf4 s THR 192 N 1.82 1.73 0.05 -0.71 -4.23 -1.26 -4.69 115.64 108.36 1rf4 s THR 192 Ca 0.70 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.84 1rf4 s THR 192 Cb -0.40 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.45 1rf4 s THR 192 CO 0.31 0.00 1.33 -2.11 -0.54 0.00 0.00 174.62 173.61 1rf4 n ARG 193 N -0.99 0.99 -1.17 3.99 1.85 -1.26 -4.87 116.66 115.20 1rf4 n ARG 193 Ca -0.07 0.36 -0.21 0.00 -1.00 0.00 0.00 57.85 56.93 1rf4 n ARG 193 Cb 0.67 -1.98 0.17 0.00 -1.05 0.00 0.00 32.46 30.26 1rf4 n ARG 193 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1rf4 n ASN 194 N 2.53 3.99 -0.18 2.89 6.94 -1.26 -4.67 115.26 125.50 1rf4 n ASN 194 Ca 0.19 -3.68 -0.01 0.00 -0.02 0.00 0.00 54.58 51.05 1rf4 n ASN 194 Cb 0.17 -0.80 0.21 0.00 -2.36 0.00 0.00 39.78 37.00 1rf4 n ASN 194 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 1rf4 h HIS 195 N 1.17 0.91 -0.51 -2.53 3.86 -1.99 -1.79 115.15 114.27 1rf4 h HIS 195 Ca 0.53 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.69 1rf4 h HIS 195 Cb 2.28 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 30.44 1rf4 h HIS 195 CO 1.43 0.67 0.27 1.15 0.86 0.00 0.00 177.93 182.31 1rf4 h THR 196 N 0.92 1.18 -0.06 2.45 2.02 -1.96 -0.62 112.91 116.83 1rf4 h THR 196 Ca 0.22 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1rf4 h THR 196 Cb 0.11 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1rf4 h THR 196 CO -0.03 0.20 0.04 -0.33 0.37 0.00 0.00 175.52 175.77 1rf4 h GLU 197 N 0.68 0.08 0.09 6.66 3.07 -1.83 -0.52 114.58 122.81 1rf4 h GLU 197 Ca 0.18 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.05 1rf4 h GLU 197 Cb 0.08 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 1rf4 h GLU 197 CO -0.03 0.08 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.05 1rf4 h ASP 198 N 0.06 -0.48 0.38 1.42 3.45 -1.08 -2.85 116.42 117.31 1rf4 h ASP 198 Ca 0.02 0.06 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 1rf4 h ASP 198 Cb 0.02 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1rf4 h ASP 198 CO -0.00 -0.25 -0.41 0.24 -1.57 0.00 0.00 179.24 177.25 1rf4 h MET 199 N -0.33 0.05 -0.39 3.56 2.86 -1.07 -1.85 114.93 117.77 1rf4 h MET 199 Ca 0.03 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1rf4 h MET 199 Cb 0.35 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1rf4 h MET 199 CO -0.10 0.46 0.20 1.25 1.06 0.00 0.00 176.91 179.77 1rf4 h LEU 200 N 0.04 0.29 -0.78 1.22 5.85 -0.89 0.94 115.31 121.98 1rf4 h LEU 200 Ca 0.00 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1rf4 h LEU 200 Cb 0.75 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1rf4 h LEU 200 CO 0.06 0.21 -0.05 1.56 -0.34 0.00 0.00 178.44 179.88 1rf4 h GLN 201 N 0.40 0.88 -0.07 1.25 4.20 -1.28 -0.08 115.11 120.41 1rf4 h GLN 201 Ca 0.17 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1rf4 h GLN 201 Cb 0.07 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1rf4 h GLN 201 CO -0.12 0.90 -0.10 0.37 -0.67 0.00 0.00 178.83 179.21 1rf4 h GLN 202 N 0.80 0.11 -0.72 1.46 4.15 -0.46 -2.41 115.11 118.04 1rf4 h GLN 202 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1rf4 h GLN 202 Cb 0.54 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1rf4 h GLN 202 CO 0.03 0.22 0.00 1.19 -1.93 0.00 0.00 178.83 178.34 1rf4 n PHE 203 N -4.36 1.01 -0.70 3.99 3.01 0.24 -4.87 117.46 115.77 1rf4 n PHE 203 Ca -0.02 -0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.08 1rf4 n PHE 203 Cb 0.21 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 1rf4 n PHE 203 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf4 n GLY 204 N 0.45 0.76 3.94 1.37 0.00 -0.91 -0.88 105.19 109.93 1rf4 n GLY 204 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1rf4 n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf4 s GLY 205 N -1.83 1.71 0.03 -0.02 0.00 -0.09 -4.90 107.32 102.21 1rf4 s GLY 205 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1rf4 s GLY 205 CO 0.00 -0.59 -0.08 0.30 0.00 0.00 0.00 173.10 172.72 1rf4 s HIS 206 N -3.20 0.74 0.21 1.90 3.76 -1.26 -4.13 115.29 113.31 1rf4 s HIS 206 Ca 0.60 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.98 1rf4 s HIS 206 Cb -0.10 -0.45 0.03 0.00 1.11 0.00 0.00 32.58 33.17 1rf4 s HIS 206 CO 0.44 -0.03 0.57 -0.48 -0.85 0.00 0.00 174.74 174.38 1rf4 s LEU 207 N -1.07 -0.03 -0.15 0.89 2.34 -1.26 -4.52 118.68 114.87 1rf4 s LEU 207 Ca -0.04 -0.50 -0.00 0.00 0.06 0.00 0.00 54.13 53.64 1rf4 s LEU 207 Cb -0.07 2.28 0.03 0.00 -0.56 0.00 0.00 46.19 47.87 1rf4 s LEU 207 CO 0.00 -1.12 -0.08 -0.55 -1.06 0.00 0.00 176.35 173.55 1rf4 s SER 208 N -2.89 2.69 -0.25 1.48 0.15 0.29 -4.98 113.70 110.19 1rf4 s SER 208 Ca 0.10 -0.56 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 1rf4 s SER 208 Cb -0.02 -0.97 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 1rf4 s SER 208 CO -0.01 -0.14 0.05 -0.69 1.20 0.00 0.00 173.24 173.66 1rf4 s VAL 209 N 1.60 4.13 -0.47 4.45 1.01 -1.26 -0.02 120.40 129.84 1rf4 s VAL 209 Ca 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.75 1rf4 s VAL 209 Cb -0.14 -2.95 0.13 0.00 0.00 0.00 0.00 36.38 33.42 1rf4 s VAL 209 CO -0.08 0.32 0.22 -0.62 0.00 0.00 0.00 175.10 174.93 1rf4 s ASP 210 N 1.58 4.16 1.62 3.32 2.15 0.58 -5.01 116.67 125.07 1rf4 s ASP 210 Ca 0.06 -2.74 0.00 0.00 0.43 0.00 0.00 52.55 50.30 1rf4 s ASP 210 Cb -0.15 -1.43 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 1rf4 s ASP 210 CO 0.02 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 1rf4 n GLY 211 N 3.45 3.07 0.20 2.66 0.00 -1.26 -1.38 105.19 111.93 1rf4 n GLY 211 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1rf4 n GLY 211 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rf4 n LYS 212 N 13.23 0.64 -2.97 1.61 5.02 -1.26 -4.84 118.16 129.58 1rf4 n LYS 212 Ca 0.00 -0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 55.47 1rf4 n LYS 212 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 1rf4 n LYS 212 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1rf4 s LYS 213 N -2.64 4.01 -0.20 1.97 2.20 -0.48 -1.58 119.74 123.02 1rf4 s LYS 213 Ca 0.20 0.60 -0.04 0.00 -0.36 0.00 0.00 55.97 56.37 1rf4 s LYS 213 Cb 0.19 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 1rf4 s LYS 213 CO 0.59 -0.61 -0.04 0.42 -0.36 0.00 0.00 175.35 175.34 1rf4 s ILE 214 N 2.85 3.55 -0.15 5.43 1.01 0.53 -0.31 121.20 134.10 1rf4 s ILE 214 Ca 0.31 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1rf4 s ILE 214 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1rf4 s ILE 214 CO 0.11 0.44 -0.07 -0.89 0.00 0.00 0.00 174.94 174.53 1rf4 s THR 215 N 1.09 3.51 -0.10 2.92 2.01 0.97 0.20 115.64 126.24 1rf4 s THR 215 Ca 0.01 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1rf4 s THR 215 Cb -0.15 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1rf4 s THR 215 CO 0.00 0.50 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 1rf4 s VAL 216 N 0.46 0.86 0.03 3.82 1.01 -0.25 -0.55 120.40 125.77 1rf4 s VAL 216 Ca -0.06 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 1rf4 s VAL 216 Cb -0.15 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.26 1rf4 s VAL 216 CO 0.04 0.34 0.55 -1.58 0.00 0.00 0.00 175.10 174.44 1rf4 s GLN 217 N 1.76 4.20 0.15 2.72 2.00 -1.26 -0.77 119.66 128.46 1rf4 s GLN 217 Ca 0.05 0.68 0.04 0.00 -2.00 0.00 0.00 55.36 54.13 1rf4 s GLN 217 Cb -0.13 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 1rf4 s GLN 217 CO -0.07 0.55 -0.10 0.20 -0.50 0.00 0.00 175.29 175.37 1rf4 s GLY 218 N -0.78 1.08 0.52 2.59 0.00 0.01 -4.50 107.32 106.23 1rf4 s GLY 218 Ca 0.29 -1.50 -0.08 0.00 0.00 0.00 0.00 44.72 43.42 1rf4 s GLY 218 CO 0.17 -1.59 0.87 2.56 0.00 0.00 0.00 173.10 175.11 1rf4 s PRO 219 N -3.76 3.60 0.20 2.90 0.04 -0.79 -1.29 135.00 135.91 1rf4 s PRO 219 Ca 0.17 0.44 0.09 0.00 0.04 0.00 0.00 61.00 61.74 1rf4 s PRO 219 Cb 0.03 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 1rf4 s PRO 219 CO 0.01 -0.31 -0.17 -0.65 0.04 0.00 0.00 177.00 175.92 1rf4 s GLN 220 N -4.76 1.36 -0.11 4.56 -0.21 -0.21 -5.00 119.66 115.30 1rf4 s GLN 220 Ca 0.51 -1.55 0.03 0.00 0.02 0.00 0.00 55.36 54.36 1rf4 s GLN 220 Cb -0.11 -1.29 -0.01 0.00 1.00 0.00 0.00 33.01 32.60 1rf4 s GLN 220 CO 0.46 0.24 -0.20 0.21 -2.12 0.00 0.00 175.29 173.88 1rf4 s LYS 221 N -3.32 3.11 0.30 2.91 2.20 -1.26 -4.81 119.74 118.86 1rf4 s LYS 221 Ca 0.21 -0.81 0.09 0.00 -0.36 0.00 0.00 55.97 55.10 1rf4 s LYS 221 Cb -0.03 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1rf4 s LYS 221 CO 0.08 0.23 0.10 -0.51 -0.36 0.00 0.00 175.35 174.89 1rf4 s LEU 222 N 0.26 3.34 -0.06 5.43 1.43 -1.26 -4.65 118.68 123.17 1rf4 s LEU 222 Ca -0.14 -0.63 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1rf4 s LEU 222 Cb -0.17 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1rf4 s LEU 222 CO 0.07 -0.15 -0.17 -0.89 0.23 0.00 0.00 176.35 175.44 1rf4 s THR 223 N -2.34 1.48 0.40 5.49 2.01 -0.06 -1.22 115.64 121.41 1rf4 s THR 223 Ca 0.35 -0.72 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 1rf4 s THR 223 Cb -0.05 -1.29 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 1rf4 s THR 223 CO 0.22 0.43 0.80 0.61 -0.69 0.00 0.00 174.62 175.99 1rf4 n GLY 224 N 3.34 -0.80 3.36 4.40 0.00 0.78 -4.67 105.19 111.60 1rf4 n GLY 224 Ca -0.19 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1rf4 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rf4 s GLN 225 N -1.77 1.56 -0.30 1.61 -1.52 -1.23 -4.85 119.66 113.15 1rf4 s GLN 225 Ca 0.63 -1.87 -0.10 0.00 -1.95 0.00 0.00 55.36 52.07 1rf4 s GLN 225 Cb -0.60 -0.35 -0.02 0.00 -0.22 0.00 0.00 33.01 31.82 1rf4 s GLN 225 CO 0.57 -0.34 0.15 0.21 -0.25 0.00 0.00 175.29 175.63 1rf4 s LYS 226 N -3.92 3.51 -0.19 2.91 2.20 -1.26 -1.20 119.74 121.80 1rf4 s LYS 226 Ca 0.36 -0.60 -0.02 0.00 -0.36 0.00 0.00 55.97 55.35 1rf4 s LYS 226 Cb 0.07 -3.55 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1rf4 s LYS 226 CO 0.15 -0.33 -0.11 0.08 -0.36 0.00 0.00 175.35 174.78 1rf4 s VAL 227 N 1.65 2.93 -0.33 4.02 1.01 0.13 -4.96 120.40 124.84 1rf4 s VAL 227 Ca 0.05 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1rf4 s VAL 227 Cb -0.16 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1rf4 s VAL 227 CO 0.07 0.48 0.15 0.68 0.00 0.00 0.00 175.10 176.48 1rf4 s VAL 228 N 1.13 4.39 -0.08 2.92 -7.23 -1.26 0.28 120.40 120.55 1rf4 s VAL 228 Ca 0.01 -0.66 -0.27 0.00 -1.81 0.00 0.00 61.98 59.25 1rf4 s VAL 228 Cb -0.14 -3.32 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 1rf4 s VAL 228 CO -0.03 -0.04 0.88 -0.69 -0.31 0.00 0.00 175.10 174.91 1rf4 s VAL 229 N 1.56 4.89 0.69 1.32 1.01 -0.63 -4.97 120.40 124.26 1rf4 s VAL 229 Ca 0.03 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 63.72 1rf4 s VAL 229 Cb -0.18 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1rf4 s VAL 229 CO 0.05 0.11 1.05 -2.16 0.00 0.00 0.00 175.10 174.15 1rf4 s PRO 230 N 1.50 2.66 0.48 2.72 0.04 -1.26 -4.78 135.00 136.36 1rf4 s PRO 230 Ca 0.44 0.19 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 1rf4 s PRO 230 Cb -0.18 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1rf4 s PRO 230 CO 0.19 -1.05 1.37 0.20 0.04 0.00 0.00 177.00 177.74 1rf4 s GLY 231 N -4.40 2.90 -0.15 0.56 0.00 0.19 -0.52 107.32 105.90 1rf4 s GLY 231 Ca 0.58 1.35 -0.29 0.00 0.00 0.00 0.00 44.72 46.35 1rf4 s GLY 231 CO 0.49 1.91 1.06 -0.35 0.00 0.00 0.00 173.10 176.21 1rf4 s ASP 232 N -0.76 7.15 0.23 1.64 3.68 -0.28 -0.32 116.67 128.01 1rf4 s ASP 232 Ca 0.64 1.52 -0.06 0.00 2.13 0.00 0.00 52.55 56.79 1rf4 s ASP 232 Cb -0.41 -2.55 0.22 0.00 -1.45 0.00 0.00 42.92 38.74 1rf4 s ASP 232 CO 0.51 -0.57 1.76 0.40 0.13 0.00 0.00 175.17 177.40 1rf4 h ILE 233 N 5.25 1.25 0.00 4.11 5.03 -1.92 -0.79 117.51 130.44 1rf4 h ILE 233 Ca -0.26 -0.91 -0.01 0.00 -0.12 0.00 0.00 64.86 63.56 1rf4 h ILE 233 Cb 1.11 0.55 -0.00 0.00 -3.03 0.00 0.00 36.82 35.46 1rf4 h ILE 233 CO 0.91 0.35 -0.04 0.28 -0.68 0.00 0.00 178.15 178.98 1rf4 h SER 234 N 0.99 0.00 0.16 1.72 0.02 -1.91 0.28 113.55 114.82 1rf4 h SER 234 Ca 0.21 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.80 1rf4 h SER 234 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1rf4 h SER 234 CO -0.00 0.04 -1.93 0.28 -1.14 0.00 0.00 176.83 174.07 1rf4 h SER 235 N 0.00 0.44 0.27 3.07 0.02 -1.75 -3.33 113.55 112.26 1rf4 h SER 235 Ca -0.00 -0.91 -0.06 0.00 -0.84 0.00 0.00 61.79 59.98 1rf4 h SER 235 Cb 0.18 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1rf4 h SER 235 CO 0.00 1.80 -0.29 0.00 -1.14 0.00 0.00 176.83 177.21 1rf4 h ALA 236 N 0.13 1.49 -0.98 3.77 0.00 -0.53 -2.88 119.26 120.25 1rf4 h ALA 236 Ca -0.40 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 54.43 1rf4 h ALA 236 Cb 2.05 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.67 1rf4 h ALA 236 CO 0.11 0.38 0.57 0.00 0.00 0.00 0.00 179.25 180.31 1rf4 h ALA 237 N 1.68 1.62 -0.40 0.00 0.00 -0.57 0.25 119.26 121.84 1rf4 h ALA 237 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rf4 h ALA 237 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1rf4 h ALA 237 CO 0.04 -0.11 0.15 0.74 0.00 0.00 0.00 179.25 180.06 1rf4 h PHE 238 N 0.69 0.57 0.05 0.00 -1.00 -1.68 -1.88 116.94 113.69 1rf4 h PHE 238 Ca 0.57 -0.02 -0.26 0.00 2.81 0.00 0.00 57.97 61.07 1rf4 h PHE 238 Cb 0.93 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 1rf4 h PHE 238 CO -0.03 0.46 -1.28 -1.49 -1.61 0.00 0.00 178.31 174.37 1rf4 h TRP 239 N 0.57 0.21 -0.53 -0.55 -0.00 -0.91 -2.34 115.95 112.39 1rf4 h TRP 239 Ca 0.14 -0.15 0.03 0.00 -0.00 0.00 0.00 58.89 58.90 1rf4 h TRP 239 Cb 0.14 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.16 29.26 1rf4 h TRP 239 CO 0.01 1.15 0.31 -0.07 -0.00 0.00 0.00 178.44 179.84 1rf4 h LEU 240 N 0.03 0.51 -0.27 -4.49 3.38 -0.26 -1.91 115.31 112.29 1rf4 h LEU 240 Ca -0.13 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.65 1rf4 h LEU 240 Cb 1.90 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1rf4 h LEU 240 CO 0.15 0.36 -0.64 0.58 0.09 0.00 0.00 178.44 178.97 1rf4 h VAL 241 N 0.62 1.28 -0.53 1.22 2.07 -1.41 -3.06 116.25 116.44 1rf4 h VAL 241 Ca 0.21 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.91 1rf4 h VAL 241 Cb 0.03 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1rf4 h VAL 241 CO -0.10 0.59 0.32 0.00 0.02 0.00 0.00 177.57 178.40 1rf4 h ALA 242 N 0.68 0.68 -0.08 1.67 0.00 -1.15 -0.86 119.26 120.20 1rf4 h ALA 242 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1rf4 h ALA 242 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1rf4 h ALA 242 CO 0.14 0.03 -0.36 0.78 0.00 0.00 0.00 179.25 179.83 1rf4 h GLY 243 N 0.63 0.17 1.72 0.00 0.00 -1.40 0.10 103.07 104.29 1rf4 h GLY 243 Ca 0.21 -0.14 -0.22 0.00 0.00 0.00 0.00 47.33 47.18 1rf4 h GLY 243 CO -0.10 0.13 -0.97 1.41 0.00 0.00 0.00 176.54 177.02 1rf4 h LEU 244 N 0.13 0.33 0.06 3.11 3.38 -1.38 -2.01 115.31 118.92 1rf4 h LEU 244 Ca 0.01 -0.28 -0.32 0.00 0.09 0.00 0.00 57.88 57.38 1rf4 h LEU 244 Cb 0.71 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1rf4 h LEU 244 CO 0.05 1.12 -1.76 0.40 0.09 0.00 0.00 178.44 178.34 1rf4 h ILE 245 N 0.12 0.84 -4.21 1.22 5.03 -1.03 -1.58 117.51 117.90 1rf4 h ILE 245 Ca -0.07 -2.61 -0.48 0.00 -0.12 0.00 0.00 64.86 61.59 1rf4 h ILE 245 Cb 1.63 2.51 0.03 0.00 -3.03 0.00 0.00 36.82 37.95 1rf4 h ILE 245 CO 0.15 0.69 0.38 0.00 -0.68 0.00 0.00 178.15 178.69 1rf4 s ALA 246 N -2.59 3.03 0.52 1.87 0.00 0.34 -4.97 121.76 119.95 1rf4 s ALA 246 Ca -0.11 0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 1rf4 s ALA 246 Cb 0.07 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.99 1rf4 s ALA 246 CO 0.81 -0.36 1.05 -1.25 0.00 0.00 0.00 175.76 176.01 1rf4 s PRO 247 N -4.18 3.67 -1.25 0.00 0.04 -1.26 -4.09 135.00 127.93 1rf4 s PRO 247 Ca 0.59 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1rf4 s PRO 247 Cb -0.11 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1rf4 s PRO 247 CO 0.34 -0.54 0.57 0.09 0.04 0.00 0.00 177.00 177.51 1rf4 n ASN 248 N -1.26 -3.32 -4.30 6.66 3.02 -1.26 -3.79 115.26 111.02 1rf4 n ASN 248 Ca 0.09 -1.29 -0.25 0.00 -0.03 0.00 0.00 54.58 53.10 1rf4 n ASN 248 Cb 0.53 -1.56 -0.13 0.00 -0.61 0.00 0.00 39.78 38.01 1rf4 n ASN 248 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rf4 s SER 249 N -3.67 2.65 -0.24 6.41 0.01 -1.26 -3.50 113.70 114.10 1rf4 s SER 249 Ca 0.42 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 1rf4 s SER 249 Cb -0.24 -0.17 0.13 0.00 0.21 0.00 0.00 66.02 65.96 1rf4 s SER 249 CO 0.97 0.10 0.36 -0.60 0.41 0.00 0.00 173.24 174.48 1rf4 s ARG 250 N -1.78 0.33 -0.08 12.44 3.52 -0.45 -1.83 118.95 131.10 1rf4 s ARG 250 Ca 0.08 0.48 0.03 0.00 -0.13 0.00 0.00 55.73 56.19 1rf4 s ARG 250 Cb -0.10 -0.56 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 1rf4 s ARG 250 CO 0.04 -0.66 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.18 1rf4 s LEU 251 N 2.52 2.46 -0.23 -0.88 1.43 -0.12 -3.57 118.68 120.28 1rf4 s LEU 251 Ca 0.12 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1rf4 s LEU 251 Cb -0.15 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1rf4 s LEU 251 CO -0.16 0.24 -0.06 0.54 0.23 0.00 0.00 176.35 177.14 1rf4 s VAL 252 N -0.12 3.00 -0.33 -1.59 0.11 -0.96 -0.80 120.40 119.71 1rf4 s VAL 252 Ca -0.03 -0.83 -0.09 0.00 -2.93 0.00 0.00 61.98 58.10 1rf4 s VAL 252 Cb -0.14 -2.45 0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1rf4 s VAL 252 CO 0.04 0.30 0.14 -0.76 -3.33 0.00 0.00 175.10 171.49 1rf4 s LEU 253 N 1.38 4.24 0.30 2.54 2.01 0.23 -1.27 118.68 128.11 1rf4 s LEU 253 Ca 0.03 -0.79 -0.01 0.00 0.01 0.00 0.00 54.13 53.36 1rf4 s LEU 253 Cb -0.15 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 1rf4 s LEU 253 CO -0.05 -0.27 0.52 -1.10 1.01 0.00 0.00 176.35 176.46 1rf4 s GLN 254 N 1.54 3.53 -1.53 1.70 -0.21 -0.66 0.35 119.66 124.37 1rf4 s GLN 254 Ca 0.02 -0.25 -0.09 0.00 0.02 0.00 0.00 55.36 55.06 1rf4 s GLN 254 Cb -0.18 -2.69 0.07 0.00 1.00 0.00 0.00 33.01 31.21 1rf4 s GLN 254 CO 0.05 0.22 0.68 -1.71 -2.12 0.00 0.00 175.29 172.41 1rf4 n ASN 255 N -1.34 -2.33 -4.68 5.90 5.15 -1.20 -4.34 115.26 112.41 1rf4 n ASN 255 Ca -0.04 -0.95 -0.36 0.00 -0.60 0.00 0.00 54.58 52.63 1rf4 n ASN 255 Cb 0.55 -3.17 -0.09 0.00 -0.53 0.00 0.00 39.78 36.54 1rf4 n ASN 255 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1rf4 s VAL 256 N -3.57 5.27 0.48 3.44 0.11 -0.74 0.54 120.40 125.93 1rf4 s VAL 256 Ca 0.40 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.39 1rf4 s VAL 256 Cb -0.21 -3.42 -0.11 0.00 -1.53 0.00 0.00 36.38 31.10 1rf4 s VAL 256 CO 0.89 0.40 0.52 0.61 -3.33 0.00 0.00 175.10 174.19 1rf4 n GLY 257 N 3.85 -1.53 0.81 6.54 0.00 0.57 -2.32 105.19 113.11 1rf4 n GLY 257 Ca -0.16 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.86 1rf4 n GLY 257 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1rf4 n ILE 258 N -1.20 0.71 -1.68 -0.61 0.13 0.17 -4.62 119.36 112.26 1rf4 n ILE 258 Ca 0.11 -1.32 -0.47 0.00 -1.10 0.00 0.00 62.75 59.98 1rf4 n ILE 258 Cb 0.43 0.43 -0.04 0.00 -0.84 0.00 0.00 39.64 39.61 1rf4 n ILE 258 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1rf4 n ASN 259 N -0.25 3.53 -0.31 9.51 2.85 -1.26 -4.84 115.26 124.49 1rf4 n ASN 259 Ca 0.08 0.98 0.35 0.00 -0.11 0.00 0.00 54.58 55.89 1rf4 n ASN 259 Cb 0.85 -1.41 0.73 0.00 1.24 0.00 0.00 39.78 41.19 1rf4 n ASN 259 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1rf4 h GLU 260 N 8.79 0.00 -0.07 1.20 9.09 -1.97 0.26 114.58 131.88 1rf4 h GLU 260 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1rf4 h GLU 260 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1rf4 h GLU 260 CO 0.94 0.00 0.00 0.25 0.05 0.00 0.00 179.01 180.25 1rf4 n THR 261 N -4.00 0.09 -0.52 -1.06 -2.24 -1.26 -3.47 114.28 101.82 1rf4 n THR 261 Ca 0.26 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1rf4 n THR 261 Cb 1.30 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1rf4 n THR 261 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rf4 n ARG 262 N -0.35 -0.04 -0.76 -0.78 5.12 0.90 -4.14 116.66 116.60 1rf4 n ARG 262 Ca 0.12 -0.41 -0.01 0.00 -1.93 0.00 0.00 57.85 55.63 1rf4 n ARG 262 Cb 0.14 -0.74 0.27 0.00 -1.16 0.00 0.00 32.46 30.97 1rf4 n ARG 262 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1rf4 n THR 263 N -0.05 2.27 -0.35 0.55 -2.24 -1.10 -4.59 114.28 108.76 1rf4 n THR 263 Ca 0.00 -1.18 0.11 0.00 -2.27 0.00 0.00 64.05 60.72 1rf4 n THR 263 Cb 0.19 -0.40 0.30 0.00 -2.10 0.00 0.00 70.33 68.32 1rf4 n THR 263 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rf4 h GLY 264 N 3.62 1.75 2.00 3.38 0.00 -1.58 -0.85 103.07 111.39 1rf4 h GLY 264 Ca 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 1rf4 h GLY 264 CO 0.50 -0.00 -0.12 1.19 0.00 0.00 0.00 176.54 178.11 1rf4 h ILE 265 N 0.83 0.83 0.23 2.60 2.10 -1.81 -2.39 117.51 119.90 1rf4 h ILE 265 Ca 0.56 -0.45 -0.01 0.00 1.08 0.00 0.00 64.86 66.03 1rf4 h ILE 265 Cb 0.79 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1rf4 h ILE 265 CO -0.35 0.12 -0.11 0.40 -1.08 0.00 0.00 178.15 177.13 1rf4 h ILE 266 N 0.00 0.82 -0.54 2.19 2.04 -1.51 -0.84 117.51 119.67 1rf4 h ILE 266 Ca -0.00 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1rf4 h ILE 266 Cb 0.25 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1rf4 h ILE 266 CO 0.02 0.06 0.36 0.44 0.00 0.00 0.00 178.15 179.03 1rf4 h ASP 267 N -0.45 0.55 -0.09 1.72 3.32 -1.49 -1.42 116.42 118.56 1rf4 h ASP 267 Ca -0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1rf4 h ASP 267 Cb 0.34 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1rf4 h ASP 267 CO 0.05 0.39 0.00 0.58 -1.72 0.00 0.00 179.24 178.54 1rf4 h VAL 268 N 0.64 1.25 -0.82 -1.35 2.07 -1.18 -1.33 116.25 115.53 1rf4 h VAL 268 Ca 0.21 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1rf4 h VAL 268 Cb 0.06 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1rf4 h VAL 268 CO -0.05 0.22 0.52 0.40 0.02 0.00 0.00 177.57 178.67 1rf4 h ILE 269 N -0.11 1.09 -0.49 4.57 2.04 -0.58 0.16 117.51 124.20 1rf4 h ILE 269 Ca 0.03 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1rf4 h ILE 269 Cb 0.34 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 1rf4 h ILE 269 CO 0.00 0.18 0.13 0.03 0.00 0.00 0.00 178.15 178.49 1rf4 h ARG 270 N 0.98 0.78 -0.81 2.37 -0.00 -1.19 0.19 114.38 116.70 1rf4 h ARG 270 Ca 0.34 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.98 59.63 1rf4 h ARG 270 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 29.97 29.89 1rf4 h ARG 270 CO -0.13 0.75 0.48 0.00 0.00 0.00 0.00 179.97 181.07 1rf4 h ALA 271 N 0.99 1.03 0.00 0.04 0.00 -0.49 -2.01 119.26 118.84 1rf4 h ALA 271 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1rf4 h ALA 271 Cb 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rf4 h ALA 271 CO 0.00 0.51 0.00 -1.33 0.00 0.00 0.00 179.25 178.43 1rf4 n MET 272 N -4.45 0.74 -0.81 0.00 2.81 -0.03 -4.87 117.12 110.53 1rf4 n MET 272 Ca 0.08 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1rf4 n MET 272 Cb 0.06 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1rf4 n MET 272 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 273 N 0.78 0.52 3.77 3.03 0.00 -0.75 -1.42 105.19 111.12 1rf4 n GLY 273 Ca 0.19 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1rf4 n GLY 273 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rf4 s GLY 274 N -2.62 2.85 -0.67 -0.02 0.00 0.64 -4.70 107.32 102.80 1rf4 s GLY 274 Ca 0.00 0.88 -0.27 0.00 0.00 0.00 0.00 44.72 45.33 1rf4 s GLY 274 CO 0.00 1.38 1.20 0.54 0.00 0.00 0.00 173.10 176.22 1rf4 s LYS 275 N -2.25 3.28 -0.02 2.90 1.02 -1.26 -4.63 119.74 118.78 1rf4 s LYS 275 Ca 0.56 -0.17 0.05 0.00 0.02 0.00 0.00 55.97 56.43 1rf4 s LYS 275 Cb -0.28 -4.13 -0.01 0.00 -0.52 0.00 0.00 37.83 32.89 1rf4 s LYS 275 CO 0.36 -1.94 -0.16 -1.17 -0.92 0.00 0.00 175.35 171.51 1rf4 s LEU 276 N 5.23 1.97 -0.03 3.17 2.96 -1.26 -2.72 118.68 128.00 1rf4 s LEU 276 Ca 0.36 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1rf4 s LEU 276 Cb -0.09 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 1rf4 s LEU 276 CO 0.18 0.18 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.55 1rf4 s GLU 277 N -0.20 1.37 -0.26 1.98 2.12 -0.18 -4.98 118.70 118.56 1rf4 s GLU 277 Ca 0.02 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1rf4 s GLU 277 Cb -0.08 -1.23 0.05 0.00 0.26 0.00 0.00 34.13 33.12 1rf4 s GLU 277 CO 0.00 0.19 -0.09 0.42 -0.54 0.00 0.00 175.26 175.25 1rf4 s ILE 278 N 0.07 2.49 0.27 -3.70 1.01 -1.26 -0.98 121.20 119.10 1rf4 s ILE 278 Ca -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 60.65 59.26 1rf4 s ILE 278 Cb -0.10 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1rf4 s ILE 278 CO 0.01 0.07 0.02 0.35 0.00 0.00 0.00 174.94 175.40 1rf4 n THR 279 N 4.55 0.00 -4.13 2.92 -2.24 -0.80 -4.86 114.28 109.71 1rf4 n THR 279 Ca -0.15 -1.33 -0.36 0.00 -2.27 0.00 0.00 64.05 59.93 1rf4 n THR 279 Cb 0.44 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1rf4 n THR 279 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rf4 n GLU 280 N -0.65 -0.62 -2.29 -0.78 -0.58 -1.26 -1.86 120.64 112.60 1rf4 n GLU 280 Ca -0.09 0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.27 1rf4 n GLU 280 Cb 0.35 -2.79 -0.02 0.00 -0.57 0.00 0.00 31.44 28.41 1rf4 n GLU 280 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1rf4 s ILE 281 N -3.99 3.92 -0.32 -3.67 1.01 -1.26 -4.02 121.20 112.87 1rf4 s ILE 281 Ca 0.22 1.01 -0.19 0.00 0.00 0.00 0.00 60.65 61.68 1rf4 s ILE 281 Cb -0.12 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1rf4 s ILE 281 CO 0.92 -0.49 0.56 -0.62 0.00 0.00 0.00 174.94 175.31 1rf4 s ASP 282 N 3.67 6.40 0.29 3.58 -1.08 0.38 -4.94 116.67 124.97 1rf4 s ASP 282 Ca 0.63 0.22 0.10 0.00 -0.52 0.00 0.00 52.55 52.98 1rf4 s ASP 282 Cb -0.19 -2.30 0.43 0.00 -1.46 0.00 0.00 42.92 39.41 1rf4 s ASP 282 CO 0.28 -0.46 1.66 1.55 0.52 0.00 0.00 175.17 178.72 1rf4 h PRO 283 N 8.31 0.05 0.00 4.34 0.13 -1.94 -2.66 132.00 140.24 1rf4 h PRO 283 Ca -0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1rf4 h PRO 283 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1rf4 h PRO 283 CO 0.78 0.59 0.00 0.28 -0.23 0.00 0.00 178.00 179.41 1rf4 n VAL 284 N -3.90 0.00 0.87 1.56 0.31 -1.26 -3.88 118.33 112.03 1rf4 n VAL 284 Ca -0.02 0.79 0.06 0.00 -0.01 0.00 0.00 64.34 65.17 1rf4 n VAL 284 Cb 0.56 -1.56 0.36 0.00 -0.91 0.00 0.00 33.84 32.29 1rf4 n VAL 284 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rf4 n ALA 285 N -0.70 2.00 -3.60 3.52 0.00 -1.26 -4.86 120.51 115.62 1rf4 n ALA 285 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1rf4 n ALA 285 Cb 0.00 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.30 1rf4 n ALA 285 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rf4 n LYS 286 N -0.94 -3.76 -4.31 0.00 5.02 -1.02 -4.77 118.16 108.37 1rf4 n LYS 286 Ca 0.09 0.64 -0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1rf4 n LYS 286 Cb 0.04 -5.12 -0.09 0.00 -0.02 0.00 0.00 35.03 29.85 1rf4 n LYS 286 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rf4 s SER 287 N -4.00 1.47 0.01 4.39 1.04 -1.08 0.41 113.70 115.94 1rf4 s SER 287 Ca 0.18 -1.60 -0.29 0.00 0.48 0.00 0.00 55.95 54.72 1rf4 s SER 287 Cb -0.05 0.45 0.11 0.00 0.10 0.00 0.00 66.02 66.63 1rf4 s SER 287 CO 0.80 -0.94 1.25 0.00 0.98 0.00 0.00 173.24 175.33 1rf4 s ALA 288 N -3.61 -2.20 -0.12 5.32 0.00 -0.98 -0.47 121.76 119.70 1rf4 s ALA 288 Ca 0.37 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.71 1rf4 s ALA 288 Cb 0.04 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1rf4 s ALA 288 CO 0.20 -1.08 0.05 0.95 0.00 0.00 0.00 175.76 175.88 1rf4 s THR 289 N -2.38 4.72 -0.16 0.00 -4.23 -0.78 -1.79 115.64 111.02 1rf4 s THR 289 Ca 0.18 -0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1rf4 s THR 289 Cb 0.03 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1rf4 s THR 289 CO -0.02 0.57 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.80 1rf4 s LEU 290 N -0.56 3.01 -0.12 4.79 1.02 0.15 -1.91 118.68 125.05 1rf4 s LEU 290 Ca 0.10 -0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.03 1rf4 s LEU 290 Cb -0.12 -1.72 -0.00 0.00 0.02 0.00 0.00 46.19 44.37 1rf4 s LEU 290 CO 0.02 0.13 -0.20 -0.63 0.02 0.00 0.00 176.35 175.69 1rf4 s ILE 291 N 0.60 2.35 0.13 -0.59 1.01 -0.15 0.74 121.20 125.29 1rf4 s ILE 291 Ca -0.04 -0.90 0.09 0.00 0.00 0.00 0.00 60.65 59.80 1rf4 s ILE 291 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1rf4 s ILE 291 CO 0.03 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.61 1rf4 s VAL 292 N 0.53 1.87 0.04 2.92 1.01 0.02 -1.01 120.40 125.77 1rf4 s VAL 292 Ca -0.13 -1.70 -0.00 0.00 0.00 0.00 0.00 61.98 60.15 1rf4 s VAL 292 Cb -0.17 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1rf4 s VAL 292 CO 0.05 -0.10 -0.03 -1.61 0.00 0.00 0.00 175.10 173.40 1rf4 s GLU 293 N -2.19 0.46 -0.08 2.72 2.02 -1.10 -0.95 118.70 119.58 1rf4 s GLU 293 Ca 0.11 -0.90 -0.37 0.00 0.02 0.00 0.00 54.97 53.83 1rf4 s GLU 293 Cb -0.09 0.13 -0.15 0.00 0.10 0.00 0.00 34.13 34.13 1rf4 s GLU 293 CO 0.05 -0.07 1.65 0.43 0.02 0.00 0.00 175.26 177.34 1rf4 n SER 294 N 0.91 2.53 -4.27 -0.19 7.64 -0.76 -4.12 113.62 115.37 1rf4 n SER 294 Ca -0.19 1.06 -0.15 0.00 1.01 0.00 0.00 58.87 60.61 1rf4 n SER 294 Cb 0.58 -1.24 -0.10 0.00 -1.01 0.00 0.00 64.21 62.43 1rf4 n SER 294 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rf4 s SER 295 N 2.53 1.26 -0.23 6.43 0.01 -0.59 -4.90 113.70 118.21 1rf4 s SER 295 Ca 0.91 -1.23 -0.08 0.00 1.31 0.00 0.00 55.95 56.86 1rf4 s SER 295 Cb -0.90 0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 1rf4 s SER 295 CO 0.54 -0.60 0.10 -1.81 0.41 0.00 0.00 173.24 171.88 1rf4 s ASP 296 N -3.22 5.59 0.26 2.44 -0.00 -1.26 -4.79 116.67 115.70 1rf4 s ASP 296 Ca 0.28 -0.03 0.08 0.00 -0.00 0.00 0.00 52.55 52.88 1rf4 s ASP 296 Cb 0.06 -2.00 -0.04 0.00 -0.00 0.00 0.00 42.92 40.95 1rf4 s ASP 296 CO 0.07 0.05 0.12 -0.76 -0.00 0.00 0.00 175.17 174.65 1rf4 s LEU 297 N 1.13 3.55 0.08 1.23 2.01 -1.26 -4.69 118.68 120.73 1rf4 s LEU 297 Ca 0.05 -0.43 0.07 0.00 0.01 0.00 0.00 54.13 53.83 1rf4 s LEU 297 Cb -0.14 -2.08 -0.03 0.00 0.01 0.00 0.00 46.19 43.95 1rf4 s LEU 297 CO 0.04 -0.05 -0.18 -0.54 1.01 0.00 0.00 176.35 176.63 1rf4 s LYS 298 N -3.79 1.03 0.93 1.70 3.01 -0.51 0.33 119.74 122.45 1rf4 s LYS 298 Ca 0.33 -1.02 -0.11 0.00 -1.01 0.00 0.00 55.97 54.16 1rf4 s LYS 298 Cb -0.07 -1.17 0.15 0.00 -1.01 0.00 0.00 37.83 35.73 1rf4 s LYS 298 CO 0.23 0.27 1.09 0.20 0.51 0.00 0.00 175.35 177.66 1rf4 s GLY 299 N -1.67 1.63 0.31 -3.33 0.00 -0.71 -4.35 107.32 99.19 1rf4 s GLY 299 Ca 0.03 0.15 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 1rf4 s GLY 299 CO 0.03 0.64 0.57 -1.08 0.00 0.00 0.00 173.10 173.26 1rf4 s THR 300 N -2.77 0.00 -0.12 0.90 -1.32 -1.19 -4.84 115.64 106.29 1rf4 s THR 300 Ca 0.65 -1.34 -0.01 0.00 -1.21 0.00 0.00 61.69 59.78 1rf4 s THR 300 Cb -0.20 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.30 1rf4 s THR 300 CO 0.58 0.00 -0.09 -0.70 -2.21 0.00 0.00 174.62 172.21 1rf4 s GLU 301 N -3.35 3.30 -0.22 7.08 2.12 -1.26 -1.90 118.70 124.47 1rf4 s GLU 301 Ca 0.22 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1rf4 s GLU 301 Cb -0.02 -2.70 0.04 0.00 0.26 0.00 0.00 34.13 31.71 1rf4 s GLU 301 CO 0.13 0.34 -0.15 0.42 -0.54 0.00 0.00 175.26 175.46 1rf4 s ILE 302 N 0.05 2.06 0.30 -3.70 1.01 0.11 -4.98 121.20 116.06 1rf4 s ILE 302 Ca -0.03 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 1rf4 s ILE 302 Cb -0.14 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1rf4 s ILE 302 CO 0.04 0.24 0.54 0.00 0.00 0.00 0.00 174.94 175.75 1rf4 n GLY 304 N -0.47 0.00 4.35 0.00 0.00 -1.26 -2.67 105.19 105.14 1rf4 n GLY 304 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1rf4 n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 n ALA 305 N 0.00 0.00 0.17 4.61 0.00 -1.26 -4.49 120.51 119.54 1rf4 n ALA 305 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1rf4 n ALA 305 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 1rf4 n ALA 305 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rf4 h LEU 306 N 0.00 0.00 0.02 0.00 5.85 -1.91 -3.36 115.31 115.91 1rf4 h LEU 306 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1rf4 h LEU 306 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1rf4 h LEU 306 CO 0.00 0.46 -0.35 0.40 -0.34 0.00 0.00 178.44 178.61 1rf4 h ILE 307 N 0.00 0.00 0.00 4.05 1.08 -1.79 -1.40 117.51 119.45 1rf4 h ILE 307 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1rf4 h ILE 307 Cb 1.07 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1rf4 h ILE 307 CO 0.06 0.00 0.07 -0.81 -0.69 0.00 0.00 178.15 176.78 1rf4 n PRO 308 N -4.44 0.11 0.00 2.37 -0.04 -1.26 -0.78 135.00 130.96 1rf4 n PRO 308 Ca -0.05 0.60 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1rf4 n PRO 308 Cb 0.26 -1.92 0.53 0.00 -0.04 0.00 0.00 33.50 32.33 1rf4 n PRO 308 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rf4 n ARG 309 N -2.10 0.54 -0.75 0.54 1.74 -0.54 -4.26 116.66 111.83 1rf4 n ARG 309 Ca -0.01 -0.21 -0.02 0.00 -0.77 0.00 0.00 57.85 56.84 1rf4 n ARG 309 Cb 0.09 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 1rf4 n ARG 309 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1rf4 n LEU 310 N -1.05 -0.18 -0.21 0.55 -0.00 0.04 -1.65 117.00 114.51 1rf4 n LEU 310 Ca 0.12 -1.39 0.01 0.00 -0.00 0.00 0.00 56.01 54.75 1rf4 n LEU 310 Cb 0.30 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.84 1rf4 n LEU 310 CO 0.26 0.96 0.88 0.16 -0.00 0.00 0.00 177.39 179.65 1rf4 h ILE 311 N 5.55 0.55 0.00 1.47 -0.00 -1.28 -0.02 117.51 123.78 1rf4 h ILE 311 Ca -0.19 -0.06 0.00 0.00 -0.00 0.00 0.00 64.86 64.61 1rf4 h ILE 311 Cb 1.28 0.35 0.00 0.00 -0.00 0.00 0.00 36.82 38.45 1rf4 h ILE 311 CO -0.07 0.03 0.00 0.47 -0.00 0.00 0.00 178.15 178.58 1rf4 n ASP 312 N -5.21 0.00 -0.46 2.16 8.00 -1.26 -2.74 116.55 117.04 1rf4 n ASP 312 Ca 0.10 0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.88 1rf4 n ASP 312 Cb 0.36 -0.37 0.10 0.00 -0.02 0.00 0.00 41.12 41.18 1rf4 n ASP 312 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rf4 n GLU 313 N -1.37 1.18 0.00 -1.24 4.71 -0.04 -4.37 120.64 119.50 1rf4 n GLU 313 Ca 0.09 -0.92 0.06 0.00 -0.01 0.00 0.00 57.16 56.38 1rf4 n GLU 313 Cb 0.22 -1.48 0.46 0.00 -1.01 0.00 0.00 31.44 29.64 1rf4 n GLU 313 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1rf4 h LEU 314 N 2.25 0.40 0.01 -4.62 3.38 -1.30 0.11 115.31 115.53 1rf4 h LEU 314 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rf4 h LEU 314 Cb 0.70 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1rf4 h LEU 314 CO 0.00 0.28 -0.00 -0.65 0.09 0.00 0.00 178.44 178.16 1rf4 h PRO 315 N 0.47 -0.01 -0.06 1.13 0.11 -1.82 0.11 132.00 131.93 1rf4 h PRO 315 Ca 0.17 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.14 1rf4 h PRO 315 Cb 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1rf4 h PRO 315 CO -0.04 0.16 -0.58 -0.84 -0.21 0.00 0.00 178.00 176.49 1rf4 h ILE 316 N -0.17 1.38 0.00 4.15 -0.00 -1.81 -2.13 117.51 118.93 1rf4 h ILE 316 Ca -0.00 -1.93 -0.04 0.00 -0.00 0.00 0.00 64.86 62.89 1rf4 h ILE 316 Cb 0.17 1.97 -0.01 0.00 -0.00 0.00 0.00 36.82 38.96 1rf4 h ILE 316 CO 0.00 0.57 -0.19 0.40 -0.00 0.00 0.00 178.15 178.93 1rf4 h ILE 317 N 0.15 1.08 -0.29 0.16 2.04 -0.84 0.46 117.51 120.28 1rf4 h ILE 317 Ca -0.00 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1rf4 h ILE 317 Cb 1.06 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1rf4 h ILE 317 CO 0.09 0.18 0.05 0.00 0.00 0.00 0.00 178.15 178.48 1rf4 h ALA 318 N 1.81 0.39 -0.60 1.87 0.00 -0.12 0.50 119.26 123.11 1rf4 h ALA 318 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1rf4 h ALA 318 Cb 0.34 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1rf4 h ALA 318 CO 0.02 0.07 0.37 1.25 0.00 0.00 0.00 179.25 180.96 1rf4 h LEU 319 N 0.30 0.71 -0.33 0.00 6.46 -0.69 -1.22 115.31 120.54 1rf4 h LEU 319 Ca 0.09 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1rf4 h LEU 319 Cb 0.32 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1rf4 h LEU 319 CO 0.00 0.55 0.15 0.25 -0.62 0.00 0.00 178.44 178.78 1rf4 h LEU 320 N 0.81 0.21 -1.47 2.25 5.85 0.38 -1.66 115.31 121.68 1rf4 h LEU 320 Ca 0.21 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.02 1rf4 h LEU 320 Cb -0.03 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1rf4 h LEU 320 CO -0.04 0.16 0.43 0.00 -0.34 0.00 0.00 178.44 178.64 1rf4 h ALA 321 N 1.18 1.76 -0.48 1.25 0.00 0.55 -1.14 119.26 122.39 1rf4 h ALA 321 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1rf4 h ALA 321 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1rf4 h ALA 321 CO -0.11 0.13 0.32 1.15 0.00 0.00 0.00 179.25 180.74 1rf4 h THR 322 N 0.65 0.95 -0.01 0.00 2.02 -0.25 -1.85 112.91 114.43 1rf4 h THR 322 Ca 0.28 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1rf4 h THR 322 Cb 0.26 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1rf4 h THR 322 CO -0.09 0.07 -0.30 0.00 0.37 0.00 0.00 175.52 175.57 1rf4 n GLN 323 N -4.47 1.00 -2.52 6.66 1.13 -0.45 0.16 117.38 118.89 1rf4 n GLN 323 Ca 0.07 -0.67 -0.30 0.00 -1.94 0.00 0.00 57.00 54.15 1rf4 n GLN 323 Cb 0.27 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 1rf4 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rf4 s ALA 324 N -2.46 3.24 -0.24 -1.58 0.00 -0.69 -4.27 121.76 115.74 1rf4 s ALA 324 Ca 0.23 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 1rf4 s ALA 324 Cb 0.19 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1rf4 s ALA 324 CO 0.52 -0.25 0.76 -0.65 0.00 0.00 0.00 175.76 176.14 1rf4 s GLN 325 N -4.29 4.16 0.00 0.00 -1.52 0.15 -0.29 119.66 117.87 1rf4 s GLN 325 Ca 0.53 0.81 0.00 0.00 -1.95 0.00 0.00 55.36 54.75 1rf4 s GLN 325 Cb -0.10 -3.64 0.00 0.00 -0.22 0.00 0.00 33.01 29.04 1rf4 s GLN 325 CO 0.38 -0.48 0.00 0.41 -0.25 0.00 0.00 175.29 175.35 1rf4 n GLY 326 N 3.88 -0.91 3.79 3.09 0.00 -1.26 -1.75 105.19 112.04 1rf4 n GLY 326 Ca 0.03 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1rf4 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rf4 s VAL 327 N 0.00 4.92 -0.10 1.61 1.01 -1.26 0.15 120.40 126.73 1rf4 s VAL 327 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1rf4 s VAL 327 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1rf4 s VAL 327 CO 0.00 0.59 -0.10 0.28 0.00 0.00 0.00 175.10 175.87 1rf4 s THR 328 N -0.98 1.17 -0.13 3.92 -1.32 0.06 -3.19 115.64 115.17 1rf4 s THR 328 Ca 0.15 -0.42 -0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1rf4 s THR 328 Cb -0.12 -1.13 -0.03 0.00 -1.51 0.00 0.00 72.50 69.72 1rf4 s THR 328 CO 0.04 0.38 -0.06 -0.69 -2.21 0.00 0.00 174.62 172.09 1rf4 s VAL 329 N 1.31 3.73 -0.19 5.08 1.01 -0.80 -0.70 120.40 129.83 1rf4 s VAL 329 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1rf4 s VAL 329 Cb -0.14 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.67 1rf4 s VAL 329 CO -0.04 0.52 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 1rf4 s ILE 330 N 0.12 2.03 0.25 2.22 1.01 -0.15 -0.71 121.20 125.96 1rf4 s ILE 330 Ca -0.02 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1rf4 s ILE 330 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1rf4 s ILE 330 CO 0.03 0.42 0.14 -1.59 0.00 0.00 0.00 174.94 173.94 1rf4 s LYS 331 N 1.28 1.39 -1.28 2.79 -2.85 -0.74 -1.42 119.74 118.91 1rf4 s LYS 331 Ca 0.02 -1.76 0.00 0.00 -1.00 0.00 0.00 55.97 53.23 1rf4 s LYS 331 Cb -0.14 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.65 1rf4 s LYS 331 CO -0.11 -0.39 0.00 -0.25 0.10 0.00 0.00 175.35 174.70 1rf4 n ASP 332 N -0.56 -4.73 -1.90 0.03 10.43 -1.07 -4.17 116.55 114.58 1rf4 n ASP 332 Ca 0.01 0.30 -0.22 0.00 2.57 0.00 0.00 54.79 57.45 1rf4 n ASP 332 Cb 0.66 -3.30 0.07 0.00 1.84 0.00 0.00 41.12 40.40 1rf4 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rf4 n ALA 333 N 1.22 5.19 0.30 2.24 0.00 0.01 -4.71 120.51 124.76 1rf4 n ALA 333 Ca -0.12 -3.58 0.18 0.00 0.00 0.00 0.00 53.44 49.92 1rf4 n ALA 333 Cb 0.44 -0.76 0.93 0.00 0.00 0.00 0.00 19.45 20.06 1rf4 n ALA 333 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1rf4 h GLU 334 N 1.88 0.00 0.00 0.00 9.09 -1.80 -2.18 114.58 121.56 1rf4 h GLU 334 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1rf4 h GLU 334 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.47 1rf4 h GLU 334 CO 0.88 0.04 0.01 0.93 0.05 0.00 0.00 179.01 180.91 1rf4 h GLU 335 N 0.00 0.00 -0.34 1.06 4.39 -1.92 -2.06 114.58 115.70 1rf4 h GLU 335 Ca -0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1rf4 h GLU 335 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1rf4 h GLU 335 CO 0.00 0.00 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.70 1rf4 h LEU 336 N 0.00 0.55 -1.93 1.33 3.38 -1.79 -2.73 115.31 114.12 1rf4 h LEU 336 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1rf4 h LEU 336 Cb 0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1rf4 h LEU 336 CO 0.00 0.68 0.00 0.11 0.09 0.00 0.00 178.44 179.32 1rf4 h LYS 337 N 0.53 0.00 -0.37 1.13 1.57 -1.59 -2.07 116.57 115.77 1rf4 h LYS 337 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1rf4 h LYS 337 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1rf4 h LYS 337 CO 0.03 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.46 1rf4 n VAL 338 N -2.59 1.70 -0.77 0.50 3.14 -1.03 -4.08 118.33 115.20 1rf4 n VAL 338 Ca -0.02 -1.40 0.00 0.00 -2.96 0.00 0.00 64.34 59.97 1rf4 n VAL 338 Cb 0.08 0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1rf4 n VAL 338 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1rf4 n LYS 339 N 0.22 0.42 -0.10 1.45 4.76 -0.96 -4.82 118.16 119.12 1rf4 n LYS 339 Ca 0.18 0.00 0.26 0.00 -2.87 0.00 0.00 58.31 55.89 1rf4 n LYS 339 Cb 0.71 0.00 0.63 0.00 -1.84 0.00 0.00 35.03 34.54 1rf4 n LYS 339 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1rf4 h GLU 340 N 0.00 0.00 -3.84 1.97 5.08 -1.92 -3.40 114.58 112.47 1rf4 h GLU 340 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1rf4 h GLU 340 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1rf4 h GLU 340 CO 0.00 0.00 -0.22 0.95 -1.00 0.00 0.00 179.01 178.74 1rf4 s THR 341 N -4.59 0.00 -0.79 1.13 -4.23 -1.26 -4.82 115.64 101.08 1rf4 s THR 341 Ca -0.04 -1.52 -0.26 0.00 -1.18 0.00 0.00 61.69 58.70 1rf4 s THR 341 Cb 0.16 -2.24 0.02 0.00 1.34 0.00 0.00 72.50 71.78 1rf4 s THR 341 CO 0.55 -0.01 1.46 -0.62 -0.54 0.00 0.00 174.62 175.46 1rf4 s ASP 342 N -3.04 6.03 0.00 3.99 -1.08 -1.26 -4.48 116.67 116.83 1rf4 s ASP 342 Ca 0.25 -0.57 0.11 0.00 -0.52 0.00 0.00 52.55 51.83 1rf4 s ASP 342 Cb 0.01 -2.56 0.49 0.00 -1.46 0.00 0.00 42.92 39.41 1rf4 s ASP 342 CO 0.09 -1.91 1.32 0.54 0.52 0.00 0.00 175.17 175.73 1rf4 n ARG 343 N 9.20 0.05 -0.08 4.34 1.74 -0.82 -1.09 116.66 130.01 1rf4 n ARG 343 Ca 0.15 0.27 -0.15 0.00 -0.77 0.00 0.00 57.85 57.35 1rf4 n ARG 343 Cb 0.50 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.32 1rf4 n ARG 343 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1rf4 h ILE 344 N 0.00 1.36 -0.20 0.55 2.04 -1.87 -3.16 117.51 116.23 1rf4 h ILE 344 Ca 0.00 -2.16 -0.10 0.00 1.00 0.00 0.00 64.86 63.60 1rf4 h ILE 344 Cb 0.16 2.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1rf4 h ILE 344 CO 0.00 0.46 -0.26 -0.61 0.00 0.00 0.00 178.15 177.74 1rf4 h GLN 345 N -1.00 0.53 -0.43 2.37 5.75 -1.87 -2.51 115.11 117.95 1rf4 h GLN 345 Ca -0.10 -0.30 -0.12 0.00 -0.15 0.00 0.00 58.65 57.97 1rf4 h GLN 345 Cb 1.00 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.56 1rf4 h GLN 345 CO -0.06 0.90 -0.22 0.28 -2.65 0.00 0.00 178.83 177.07 1rf4 h VAL 346 N 0.21 1.27 -0.24 2.39 2.07 -1.30 -1.70 116.25 118.94 1rf4 h VAL 346 Ca 0.02 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 1rf4 h VAL 346 Cb 0.83 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1rf4 h VAL 346 CO 0.06 0.46 -0.11 0.58 0.02 0.00 0.00 177.57 178.58 1rf4 h VAL 347 N 0.76 1.30 0.30 2.57 2.07 -1.61 -1.12 116.25 120.52 1rf4 h VAL 347 Ca 0.10 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1rf4 h VAL 347 Cb 0.77 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1rf4 h VAL 347 CO 0.06 0.37 -0.14 0.00 0.02 0.00 0.00 177.57 177.88 1rf4 h ALA 348 N 0.73 -0.40 -0.16 1.67 0.00 -1.42 -0.35 119.26 119.32 1rf4 h ALA 348 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1rf4 h ALA 348 Cb 0.61 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1rf4 h ALA 348 CO 0.03 -0.71 -0.02 -0.44 0.00 0.00 0.00 179.25 178.11 1rf4 h ASP 349 N -0.43 -0.11 0.42 0.00 3.32 -1.34 0.12 116.42 118.40 1rf4 h ASP 349 Ca -0.04 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1rf4 h ASP 349 Cb 0.33 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1rf4 h ASP 349 CO 0.07 -0.03 -0.43 0.00 -1.72 0.00 0.00 179.24 177.12 1rf4 h ALA 350 N 1.15 -0.95 -0.37 3.45 0.00 -1.07 -1.03 119.26 120.45 1rf4 h ALA 350 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1rf4 h ALA 350 Cb 0.11 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1rf4 h ALA 350 CO -0.15 -1.07 -0.07 -0.07 0.00 0.00 0.00 179.25 177.89 1rf4 h LEU 351 N -0.87 0.59 -1.34 0.00 3.38 -0.98 -2.35 115.31 113.74 1rf4 h LEU 351 Ca -0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1rf4 h LEU 351 Cb 0.77 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1rf4 h LEU 351 CO -0.07 0.71 0.10 0.78 0.09 0.00 0.00 178.44 180.05 1rf4 h ASN 352 N 0.57 0.50 0.28 -0.43 2.35 -0.57 0.10 115.58 118.38 1rf4 h ASN 352 Ca 0.11 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1rf4 h ASN 352 Cb 0.47 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1rf4 h ASN 352 CO 0.02 0.50 0.00 -1.54 -1.65 0.00 0.00 177.43 174.76 1rf4 n SER 353 N -4.34 0.00 -0.02 5.81 3.41 -0.41 -2.24 113.62 115.84 1rf4 n SER 353 Ca 0.02 -0.30 -0.01 0.00 -0.26 0.00 0.00 58.87 58.32 1rf4 n SER 353 Cb 0.18 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1rf4 n SER 353 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1rf4 n MET 354 N -1.18 2.26 0.00 4.33 2.81 -0.48 -4.55 117.12 120.31 1rf4 n MET 354 Ca 0.14 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1rf4 n MET 354 Cb 0.15 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 1rf4 n MET 354 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rf4 n GLY 355 N 2.56 0.00 7.00 3.03 0.00 -0.24 0.24 105.19 117.78 1rf4 n GLY 355 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1rf4 n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 n ALA 356 N -0.04 0.00 -2.08 4.61 0.00 -0.15 -4.81 120.51 118.05 1rf4 n ALA 356 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1rf4 n ALA 356 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1rf4 n ALA 356 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rf4 n ASP 357 N -2.00 -2.05 -3.81 0.00 2.03 -1.26 -4.78 116.55 104.68 1rf4 n ASP 357 Ca 0.00 -0.06 -0.27 0.00 0.52 0.00 0.00 54.79 54.98 1rf4 n ASP 357 Cb 0.00 -0.93 -0.16 0.00 -0.72 0.00 0.00 41.12 39.30 1rf4 n ASP 357 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rf4 s ILE 358 N -3.03 0.80 -0.47 5.18 1.01 -1.26 -2.32 121.20 121.11 1rf4 s ILE 358 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.92 1rf4 s ILE 358 Cb -0.00 -1.14 0.06 0.00 0.01 0.00 0.00 42.46 41.39 1rf4 s ILE 358 CO 0.07 -0.04 0.43 -0.89 0.00 0.00 0.00 174.94 174.51 1rf4 s THR 359 N 1.75 5.15 0.48 2.92 2.01 0.19 -4.93 115.64 123.21 1rf4 s THR 359 Ca -0.00 -0.81 -0.22 0.00 0.31 0.00 0.00 61.69 60.97 1rf4 s THR 359 Cb -0.16 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.15 1rf4 s THR 359 CO -0.07 -0.57 1.11 -2.16 -0.69 0.00 0.00 174.62 172.24 1rf4 s PRO 360 N 1.91 3.70 0.37 4.92 0.04 -1.26 -0.80 135.00 143.88 1rf4 s PRO 360 Ca 0.07 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1rf4 s PRO 360 Cb -0.22 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1rf4 s PRO 360 CO 0.09 -0.56 0.10 0.95 0.04 0.00 0.00 177.00 177.62 1rf4 s THR 361 N -1.71 0.79 0.50 1.26 -4.23 0.26 -4.90 115.64 107.61 1rf4 s THR 361 Ca 0.66 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.36 1rf4 s THR 361 Cb -0.24 -2.50 0.26 0.00 1.34 0.00 0.00 72.50 71.36 1rf4 s THR 361 CO 0.29 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.48 1rf4 h ALA 362 N 1.92 1.78 0.00 3.99 0.00 -1.98 -3.04 119.26 121.93 1rf4 h ALA 362 Ca -0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1rf4 h ALA 362 Cb 1.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1rf4 h ALA 362 CO 0.61 0.08 -0.29 -0.40 0.00 0.00 0.00 179.25 179.26 1rf4 n ASP 363 N -4.30 1.79 0.00 0.00 3.85 -1.26 -4.55 116.55 112.07 1rf4 n ASP 363 Ca -0.03 -3.15 0.00 0.00 -0.71 0.00 0.00 54.79 50.90 1rf4 n ASP 363 Cb 0.15 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 1rf4 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rf4 n GLY 364 N -1.04 -0.44 3.55 6.12 0.00 -1.15 -0.81 105.19 111.42 1rf4 n GLY 364 Ca 0.14 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1rf4 n GLY 364 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1rf4 s MET 365 N -0.84 0.66 -0.13 1.61 0.23 -0.51 -0.57 119.30 119.75 1rf4 s MET 365 Ca 0.00 -0.04 -0.01 0.00 -1.03 0.00 0.00 55.69 54.60 1rf4 s MET 365 Cb 0.00 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 1rf4 s MET 365 CO 0.00 -0.25 -0.09 0.42 -2.03 0.00 0.00 175.02 173.07 1rf4 s ILE 366 N -1.98 3.46 -0.13 3.16 1.09 0.02 -0.98 121.20 125.84 1rf4 s ILE 366 Ca 0.02 -0.52 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 1rf4 s ILE 366 Cb -0.01 -2.47 0.02 0.00 -1.06 0.00 0.00 42.46 38.94 1rf4 s ILE 366 CO -0.03 0.52 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.58 1rf4 s ILE 367 N 0.17 1.40 -0.34 2.92 1.01 0.12 -0.63 121.20 125.85 1rf4 s ILE 367 Ca -0.05 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 1rf4 s ILE 367 Cb -0.14 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 1rf4 s ILE 367 CO 0.04 0.43 0.44 -0.75 0.00 0.00 0.00 174.94 175.10 1rf4 s LYS 368 N 1.42 3.61 0.61 2.79 2.20 -0.98 -0.76 119.74 128.63 1rf4 s LYS 368 Ca 0.02 -0.26 -0.11 0.00 -0.36 0.00 0.00 55.97 55.26 1rf4 s LYS 368 Cb -0.13 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1rf4 s LYS 368 CO -0.08 -0.57 1.02 0.20 -0.36 0.00 0.00 175.35 175.56 1rf4 s GLY 369 N 1.74 1.65 0.00 5.54 0.00 0.41 -4.71 107.32 111.94 1rf4 s GLY 369 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.76 1rf4 s GLY 369 CO 0.12 0.15 0.00 0.28 0.00 0.00 0.00 173.10 173.65 1rf4 n LYS 370 N -2.73 0.00 -4.38 2.90 4.76 0.42 -4.05 118.16 115.09 1rf4 n LYS 370 Ca 0.06 0.34 -0.34 0.00 -2.87 0.00 0.00 58.31 55.50 1rf4 n LYS 370 Cb 0.54 -1.23 -0.13 0.00 -1.84 0.00 0.00 35.03 32.37 1rf4 n LYS 370 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1rf4 s SER 371 N -2.15 4.63 -0.09 4.39 0.01 -0.63 -5.01 113.70 114.85 1rf4 s SER 371 Ca 0.00 -0.19 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 1rf4 s SER 371 Cb 0.00 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.46 1rf4 s SER 371 CO 0.00 0.14 1.00 0.00 0.41 0.00 0.00 173.24 174.79 1rf4 s ALA 372 N 0.55 3.36 0.32 1.44 0.00 -1.26 -4.84 121.76 121.32 1rf4 s ALA 372 Ca -0.04 0.41 -0.06 0.00 0.00 0.00 0.00 51.96 52.27 1rf4 s ALA 372 Cb -0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1rf4 s ALA 372 CO 0.03 -0.53 0.61 -0.51 0.00 0.00 0.00 175.76 175.35 1rf4 s LEU 373 N 1.82 4.00 0.35 0.00 1.43 -1.26 -4.64 118.68 120.38 1rf4 s LEU 373 Ca 0.49 0.82 0.05 0.00 -1.03 0.00 0.00 54.13 54.45 1rf4 s LEU 373 Cb -0.19 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1rf4 s LEU 373 CO 0.20 -0.24 0.18 -1.38 0.23 0.00 0.00 176.35 175.34 1rf4 s HIS 374 N -2.15 1.71 1.10 0.29 -3.43 0.66 -4.04 115.29 109.42 1rf4 s HIS 374 Ca 0.46 -1.43 -0.12 0.00 -0.80 0.00 0.00 55.06 53.17 1rf4 s HIS 374 Cb -0.11 -0.92 0.25 0.00 -1.43 0.00 0.00 32.58 30.37 1rf4 s HIS 374 CO 0.30 -0.54 1.05 0.20 -2.00 0.00 0.00 174.74 173.75 1rf4 s GLY 375 N -3.46 1.56 0.00 -1.38 0.00 -1.26 -4.55 107.32 98.24 1rf4 s GLY 375 Ca 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1rf4 s GLY 375 CO 0.19 0.55 0.00 0.00 0.00 0.00 0.00 173.10 173.84 1rf4 n ALA 376 N -4.69 0.00 -2.93 3.20 0.00 -0.04 -4.63 120.51 111.42 1rf4 n ALA 376 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 1rf4 n ALA 376 Cb 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 1rf4 n ALA 376 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1rf4 s ARG 377 N -2.00 3.78 -0.04 0.00 3.52 -1.26 -1.44 118.95 121.51 1rf4 s ARG 377 Ca 0.00 -0.43 0.06 0.00 -0.13 0.00 0.00 55.73 55.23 1rf4 s ARG 377 Cb 0.00 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1rf4 s ARG 377 CO 0.00 0.00 -0.22 0.08 -0.81 0.00 0.00 175.30 174.35 1rf4 s VAL 378 N 1.11 1.79 -0.19 7.11 1.01 0.40 -4.95 120.40 126.67 1rf4 s VAL 378 Ca 0.04 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1rf4 s VAL 378 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1rf4 s VAL 378 CO 0.03 0.51 0.08 0.21 0.00 0.00 0.00 175.10 175.93 1rf4 s ASN 379 N -0.24 5.71 0.46 3.32 3.04 -1.26 -1.01 114.94 124.96 1rf4 s ASN 379 Ca 0.01 0.09 0.21 0.00 0.04 0.00 0.00 52.86 53.20 1rf4 s ASN 379 Cb -0.11 -1.99 1.10 0.00 -1.54 0.00 0.00 41.25 38.71 1rf4 s ASN 379 CO 0.02 0.16 1.96 0.74 -3.04 0.00 0.00 177.10 176.93 1rf4 h THR 380 N 4.89 0.86 -2.96 -5.21 2.02 -1.52 -3.46 112.91 107.53 1rf4 h THR 380 Ca -0.38 -0.84 -0.35 0.00 0.77 0.00 0.00 66.41 65.62 1rf4 h THR 380 Cb 1.17 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 69.03 1rf4 h THR 380 CO 0.70 0.21 -0.42 0.49 0.37 0.00 0.00 175.52 176.87 1rf4 n PHE 381 N -3.85 -1.00 -1.18 3.16 3.01 -1.26 -1.67 117.46 114.67 1rf4 n PHE 381 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.39 1rf4 n PHE 381 Cb 0.31 -3.38 -0.02 0.00 -0.01 0.00 0.00 39.48 36.38 1rf4 n PHE 381 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rf4 n GLY 382 N -0.81 0.73 3.10 1.37 0.00 -1.26 -4.90 105.19 103.43 1rf4 n GLY 382 Ca -0.20 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1rf4 n GLY 382 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf4 s ASP 383 N -2.94 4.74 0.47 1.61 -1.08 -0.67 -4.93 116.67 113.87 1rf4 s ASP 383 Ca 0.00 -1.53 0.26 0.00 -0.52 0.00 0.00 52.55 50.76 1rf4 s ASP 383 Cb 0.00 -1.65 1.31 0.00 -1.46 0.00 0.00 42.92 41.12 1rf4 s ASP 383 CO 0.00 -0.28 1.83 1.12 0.52 0.00 0.00 175.17 178.36 1rf4 h HIS 384 N 7.85 0.30 -0.29 -5.34 2.07 -1.87 -1.54 115.15 116.34 1rf4 h HIS 384 Ca -0.17 0.01 -0.17 0.00 -2.85 0.00 0.00 60.37 57.19 1rf4 h HIS 384 Cb 1.05 -0.09 -0.00 0.00 2.57 0.00 0.00 27.41 30.93 1rf4 h HIS 384 CO 0.59 0.05 -0.49 0.00 -3.07 0.00 0.00 177.93 175.01 1rf4 h ARG 385 N 0.20 0.81 -0.23 5.12 2.47 -1.95 -1.00 114.38 119.80 1rf4 h ARG 385 Ca 0.51 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1rf4 h ARG 385 Cb 1.66 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 30.02 1rf4 h ARG 385 CO -0.13 1.11 0.11 0.82 0.56 0.00 0.00 179.97 182.45 1rf4 h ILE 386 N 0.64 1.13 -0.42 2.04 1.08 -1.61 0.14 117.51 120.51 1rf4 h ILE 386 Ca 0.03 -0.36 0.06 0.00 -0.39 0.00 0.00 64.86 64.20 1rf4 h ILE 386 Cb 1.08 0.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.73 1rf4 h ILE 386 CO 0.11 0.13 0.09 1.23 -0.69 0.00 0.00 178.15 179.02 1rf4 h GLY 387 N 0.24 0.51 1.72 5.37 0.00 -1.27 -0.57 103.07 109.07 1rf4 h GLY 387 Ca 0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1rf4 h GLY 387 CO -0.01 -0.03 -0.72 -0.33 0.00 0.00 0.00 176.54 175.44 1rf4 h MET 388 N 0.23 0.27 -0.45 4.80 2.86 -0.97 -2.23 114.93 119.44 1rf4 h MET 388 Ca 0.20 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1rf4 h MET 388 Cb 0.24 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1rf4 h MET 388 CO -0.26 0.88 0.24 1.98 1.06 0.00 0.00 176.91 180.82 1rf4 h MET 389 N 0.18 0.62 -0.79 1.72 -1.53 -0.33 -2.67 114.93 112.14 1rf4 h MET 389 Ca -0.03 -0.07 -0.04 0.00 -3.44 0.00 0.00 59.70 56.12 1rf4 h MET 389 Cb 1.29 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 32.18 1rf4 h MET 389 CO 0.12 0.50 0.34 1.15 0.14 0.00 0.00 176.91 179.15 1rf4 h THR 390 N 0.58 1.26 -0.34 -0.77 2.02 -1.03 -1.69 112.91 112.94 1rf4 h THR 390 Ca 0.16 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.58 1rf4 h THR 390 Cb 0.05 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1rf4 h THR 390 CO -0.03 0.33 0.15 0.00 0.37 0.00 0.00 175.52 176.34 1rf4 h ALA 391 N 1.21 0.40 0.00 6.16 0.00 -1.07 0.45 119.26 126.42 1rf4 h ALA 391 Ca 0.27 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 1rf4 h ALA 391 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rf4 h ALA 391 CO -0.03 -0.24 -0.70 -0.84 0.00 0.00 0.00 179.25 177.44 1rf4 h ILE 392 N 0.31 1.25 -0.57 0.00 3.07 -1.42 -3.05 117.51 117.10 1rf4 h ILE 392 Ca 0.15 -2.64 -0.05 0.00 1.55 0.00 0.00 64.86 63.87 1rf4 h ILE 392 Cb 0.09 2.53 -0.03 0.00 -0.27 0.00 0.00 36.82 39.14 1rf4 h ILE 392 CO -0.12 0.69 0.15 0.00 -1.05 0.00 0.00 178.15 177.81 1rf4 h ALA 393 N 1.30 1.19 0.00 0.16 0.00 -0.90 -1.76 119.26 119.25 1rf4 h ALA 393 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1rf4 h ALA 393 Cb 1.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1rf4 h ALA 393 CO 0.09 0.56 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 1rf4 h ALA 394 N 1.32 1.77 -0.02 0.00 0.00 -0.81 -2.22 119.26 119.31 1rf4 h ALA 394 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rf4 h ALA 394 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1rf4 h ALA 394 CO -0.00 0.14 0.03 -0.07 0.00 0.00 0.00 179.25 179.34 1rf4 h LEU 395 N 0.00 0.00 -0.22 0.00 3.38 -1.30 -1.81 115.31 115.36 1rf4 h LEU 395 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rf4 h LEU 395 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rf4 h LEU 395 CO 0.01 0.00 -0.56 0.18 0.09 0.00 0.00 178.44 178.17 1rf4 n LEU 396 N -3.54 0.89 -4.55 1.67 4.77 -0.84 -0.99 117.00 114.41 1rf4 n LEU 396 Ca -0.03 -0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.30 1rf4 n LEU 396 Cb 0.11 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1rf4 n LEU 396 CO 0.24 0.20 1.38 -0.69 -1.33 0.00 0.00 177.39 177.19 1rf4 s VAL 397 N -2.83 3.57 0.09 4.08 1.01 -0.68 -4.52 120.40 121.12 1rf4 s VAL 397 Ca 0.14 0.35 -0.21 0.00 0.00 0.00 0.00 61.98 62.27 1rf4 s VAL 397 Cb 0.18 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1rf4 s VAL 397 CO 0.69 -1.34 1.67 0.00 0.00 0.00 0.00 175.10 176.12 1rf4 h ALA 398 N 12.35 0.18 -3.17 5.51 0.00 -1.88 -1.11 119.26 131.14 1rf4 h ALA 398 Ca -0.27 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 1rf4 h ALA 398 Cb 1.11 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 1rf4 h ALA 398 CO 1.24 -0.27 -0.76 0.34 0.00 0.00 0.00 179.25 179.79 1rf4 s ASP 399 N -5.45 3.36 0.00 0.00 3.68 -1.26 -4.67 116.67 112.33 1rf4 s ASP 399 Ca -0.13 -1.15 0.00 0.00 2.13 0.00 0.00 52.55 53.40 1rf4 s ASP 399 Cb 0.07 -0.65 0.00 0.00 -1.45 0.00 0.00 42.92 40.89 1rf4 s ASP 399 CO 0.69 -0.36 0.00 0.61 0.13 0.00 0.00 175.17 176.24 1rf4 n GLY 400 N 5.01 -1.06 3.05 2.66 0.00 -1.26 -4.46 105.19 109.12 1rf4 n GLY 400 Ca -0.06 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1rf4 n GLY 400 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rf4 s GLU 401 N -1.80 0.54 -0.12 1.61 0.41 -1.26 -4.78 118.70 113.30 1rf4 s GLU 401 Ca 0.00 -0.65 0.02 0.00 -0.41 0.00 0.00 54.97 53.93 1rf4 s GLU 401 Cb 0.00 -0.37 0.02 0.00 -1.78 0.00 0.00 34.13 31.99 1rf4 s GLU 401 CO 0.00 0.08 -0.16 0.54 -0.49 0.00 0.00 175.26 175.23 1rf4 s VAL 402 N -1.09 1.57 -0.14 2.63 0.11 -1.26 -0.86 120.40 121.36 1rf4 s VAL 402 Ca -0.07 -0.68 -0.05 0.00 -2.93 0.00 0.00 61.98 58.26 1rf4 s VAL 402 Cb -0.08 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.30 1rf4 s VAL 402 CO 0.00 0.46 0.02 -1.61 -3.33 0.00 0.00 175.10 170.64 1rf4 s GLU 403 N 1.06 3.57 -0.22 1.54 0.41 -0.52 -1.83 118.70 122.71 1rf4 s GLU 403 Ca -0.05 -0.40 -0.01 0.00 -0.41 0.00 0.00 54.97 54.10 1rf4 s GLU 403 Cb -0.15 -3.00 0.02 0.00 -1.78 0.00 0.00 34.13 29.22 1rf4 s GLU 403 CO -0.03 0.42 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.87 1rf4 s LEU 404 N -0.07 2.76 0.14 1.80 0.20 0.43 -0.45 118.68 123.49 1rf4 s LEU 404 Ca 0.04 -0.74 -0.03 0.00 0.69 0.00 0.00 54.13 54.10 1rf4 s LEU 404 Cb -0.13 -1.60 -0.05 0.00 -0.43 0.00 0.00 46.19 43.98 1rf4 s LEU 404 CO 0.02 -0.06 0.35 -1.81 -0.29 0.00 0.00 176.35 174.55 1rf4 s ASP 405 N 1.32 6.44 -1.40 3.68 1.01 -0.18 0.54 116.67 128.10 1rf4 s ASP 405 Ca 0.02 0.49 -0.09 0.00 0.71 0.00 0.00 52.55 53.68 1rf4 s ASP 405 Cb -0.15 -2.05 0.04 0.00 1.01 0.00 0.00 42.92 41.77 1rf4 s ASP 405 CO -0.07 0.06 1.04 0.54 0.21 0.00 0.00 175.17 176.95 1rf4 n ARG 406 N -0.01 -6.64 0.24 8.23 1.74 -1.26 -1.56 116.66 117.40 1rf4 n ARG 406 Ca -0.03 0.73 0.13 0.00 -0.77 0.00 0.00 57.85 57.90 1rf4 n ARG 406 Cb 0.52 -5.67 0.53 0.00 -1.02 0.00 0.00 32.46 26.82 1rf4 n ARG 406 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rf4 h ALA 407 N 0.97 1.01 0.00 7.54 0.00 -1.96 -3.01 119.26 123.81 1rf4 h ALA 407 Ca -0.58 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1rf4 h ALA 407 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1rf4 h ALA 407 CO 0.60 0.15 0.00 -0.85 0.00 0.00 0.00 179.25 179.14 1rf4 n GLU 408 N -3.24 0.13 0.28 0.00 0.00 -1.26 -1.35 120.64 115.19 1rf4 n GLU 408 Ca 0.01 0.19 0.16 0.00 0.00 0.00 0.00 57.16 57.51 1rf4 n GLU 408 Cb 0.39 -1.50 0.76 0.00 0.00 0.00 0.00 31.44 31.09 1rf4 n GLU 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rf4 h ALA 409 N 2.38 1.11 0.00 -1.84 0.00 -1.89 -1.60 119.26 117.42 1rf4 h ALA 409 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1rf4 h ALA 409 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rf4 h ALA 409 CO 0.00 0.10 -0.07 0.82 0.00 0.00 0.00 179.25 180.10 1rf4 h ILE 410 N 0.00 0.37 0.00 0.00 2.04 -1.48 -1.54 117.51 116.89 1rf4 h ILE 410 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1rf4 h ILE 410 Cb 0.39 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1rf4 h ILE 410 CO 0.01 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.82 1rf4 n ASN 411 N -3.47 0.00 0.04 1.72 3.02 -0.60 -1.39 115.26 114.58 1rf4 n ASN 411 Ca -0.02 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1rf4 n ASN 411 Cb 0.20 -0.40 0.31 0.00 -0.61 0.00 0.00 39.78 39.28 1rf4 n ASN 411 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1rf4 h THR 412 N 0.00 1.20 0.00 3.41 2.02 -1.47 -1.30 112.91 116.77 1rf4 h THR 412 Ca 0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1rf4 h THR 412 Cb 0.10 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1rf4 h THR 412 CO 0.00 0.29 0.00 -1.54 0.37 0.00 0.00 175.52 174.64 1rf4 n SER 413 N -4.25 0.00 -2.99 4.18 3.41 -1.04 -3.24 113.62 109.70 1rf4 n SER 413 Ca 0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1rf4 n SER 413 Cb 0.28 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1rf4 n SER 413 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf4 n TYR 414 N 0.00 -1.20 -0.33 7.33 -0.00 -0.49 -4.81 117.16 117.66 1rf4 n TYR 414 Ca 0.00 -3.06 0.18 0.00 -0.00 0.00 0.00 57.90 55.02 1rf4 n TYR 414 Cb 0.00 0.48 0.35 0.00 -0.00 0.00 0.00 39.34 40.17 1rf4 n TYR 414 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 1rf4 h PRO 415 N 3.08 0.05 -0.79 2.98 0.11 -1.75 0.19 132.00 135.87 1rf4 h PRO 415 Ca 0.01 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1rf4 h PRO 415 Cb 1.02 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1rf4 h PRO 415 CO 0.34 0.03 0.06 -1.13 -0.21 0.00 0.00 178.00 177.09 1rf4 n SER 416 N -5.39 3.74 -0.07 -2.05 3.41 -1.26 -4.56 113.62 107.44 1rf4 n SER 416 Ca 0.26 -2.61 -0.08 0.00 -0.26 0.00 0.00 58.87 56.18 1rf4 n SER 416 Cb 0.84 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1rf4 n SER 416 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1rf4 h PHE 417 N 2.09 -0.75 -0.01 7.33 3.57 -0.99 -1.36 116.94 126.82 1rf4 h PHE 417 Ca 0.05 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1rf4 h PHE 417 Cb 1.48 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 1rf4 h PHE 417 CO 0.69 -0.35 -0.36 0.74 -2.23 0.00 0.00 178.31 176.80 1rf4 h PHE 418 N -0.27 0.02 -0.38 0.41 0.04 -1.83 -0.77 116.94 114.16 1rf4 h PHE 418 Ca 0.15 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1rf4 h PHE 418 Cb 0.50 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1rf4 h PHE 418 CO -0.44 0.38 0.13 -0.44 -0.60 0.00 0.00 178.31 177.33 1rf4 h ASP 419 N 0.01 0.55 -0.65 2.17 3.45 -1.69 -1.48 116.42 118.79 1rf4 h ASP 419 Ca -0.00 -0.20 -0.07 0.00 0.43 0.00 0.00 57.03 57.20 1rf4 h ASP 419 Cb 0.65 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.25 1rf4 h ASP 419 CO 0.05 0.60 0.15 0.44 -1.57 0.00 0.00 179.24 178.91 1rf4 h ASP 420 N 0.47 1.01 0.04 6.45 3.45 -0.87 -2.76 116.42 124.22 1rf4 h ASP 420 Ca 0.12 -0.21 0.02 0.00 0.43 0.00 0.00 57.03 57.39 1rf4 h ASP 420 Cb 0.24 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1rf4 h ASP 420 CO -0.01 0.97 -0.13 0.25 -1.57 0.00 0.00 179.24 178.75 1rf4 h LEU 421 N 1.01 -0.38 -2.79 1.55 5.85 -0.79 -2.15 115.31 117.61 1rf4 h LEU 421 Ca 0.21 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1rf4 h LEU 421 Cb 0.37 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1rf4 h LEU 421 CO 0.00 -0.19 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.58 1rf4 h GLU 422 N -0.25 0.00 0.02 1.25 4.39 -1.11 -1.61 114.58 117.27 1rf4 h GLU 422 Ca 0.03 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.52 1rf4 h GLU 422 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1rf4 h GLU 422 CO -0.10 0.00 -1.00 0.66 -1.16 0.00 0.00 179.01 177.41 1rf4 h SER 423 N 0.00 0.07 0.42 1.42 4.64 -1.11 -3.31 113.55 115.69 1rf4 h SER 423 Ca -0.00 -0.07 -0.28 0.00 -0.47 0.00 0.00 61.79 60.98 1rf4 h SER 423 Cb 0.07 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1rf4 h SER 423 CO 0.00 1.02 -1.20 -0.07 -0.87 0.00 0.00 176.83 175.71 1rf4 h LEU 424 N 0.01 0.59 -1.93 5.97 3.38 -1.08 -3.31 115.31 118.94 1rf4 h LEU 424 Ca -0.03 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.38 1rf4 h LEU 424 Cb 1.75 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 1rf4 h LEU 424 CO 0.14 1.42 0.06 0.40 0.09 0.00 0.00 178.44 180.54 1rf4 h ILE 425 N 0.16 1.01 -3.84 1.22 2.04 -1.53 -2.38 117.51 114.19 1rf4 h ILE 425 Ca -0.15 -0.03 -0.64 0.00 1.00 0.00 0.00 64.86 65.04 1rf4 h ILE 425 Cb 1.89 0.91 -0.18 0.00 -0.74 0.00 0.00 36.82 38.70 1rf4 h ILE 425 CO 0.21 0.02 -0.54 -1.00 0.00 0.00 0.00 178.15 176.83 1rf4 s HIS 426 N -5.14 3.19 0.00 1.37 3.76 -1.24 -4.88 115.29 112.34 1rf4 s HIS 426 Ca -0.06 -0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1rf4 s HIS 426 Cb 0.17 -2.35 0.00 0.00 1.11 0.00 0.00 32.58 31.51 1rf4 s HIS 426 CO 0.68 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.78