#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 4.09 0.05 3.17 2.20 -1.26 -1.04 119.74 126.95 1rf4 s LYS 2 Ca 0.00 0.56 -0.16 0.00 -0.36 0.00 0.00 55.97 56.00 1rf4 s LYS 2 Cb 0.00 -3.66 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 1rf4 s LYS 2 CO 0.00 -0.44 0.49 -0.51 -0.36 0.00 0.00 175.35 174.53 1rf4 s LEU 3 N 2.55 4.48 0.39 5.43 1.02 -0.81 -5.00 118.68 126.74 1rf4 s LEU 3 Ca 0.27 1.10 -0.27 0.00 0.02 0.00 0.00 54.13 55.24 1rf4 s LEU 3 Cb -0.15 -2.81 -0.11 0.00 0.02 0.00 0.00 46.19 43.14 1rf4 s LEU 3 CO 0.09 0.27 1.46 0.29 0.02 0.00 0.00 176.35 178.48 1rf4 n LYS 4 N 1.63 2.54 -4.32 1.70 4.01 -1.26 -4.57 118.16 117.89 1rf4 n LYS 4 Ca -0.11 0.89 -0.17 0.00 -0.51 0.00 0.00 58.31 58.41 1rf4 n LYS 4 Cb 0.52 -2.63 -0.10 0.00 -0.51 0.00 0.00 35.03 32.30 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 -1.13 1.05 -1.41 -0.18 -1.32 -1.26 -3.82 115.64 107.56 1rf4 s THR 5 Ca 0.55 -2.04 -0.04 0.00 -1.21 0.00 0.00 61.69 58.95 1rf4 s THR 5 Cb -0.48 -2.28 0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1rf4 s THR 5 CO 0.62 -0.38 0.69 -3.20 -2.21 0.00 0.00 174.62 170.14 1rf4 n ASN 6 N -0.39 -1.86 -4.66 8.08 4.05 -0.03 -4.92 115.26 115.53 1rf4 n ASN 6 Ca -0.06 -0.87 -0.43 0.00 0.45 0.00 0.00 54.58 53.67 1rf4 n ASN 6 Cb 0.63 -3.66 -0.02 0.00 1.23 0.00 0.00 39.78 37.96 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 -3.64 4.36 -1.60 -1.44 1.09 -0.79 -4.91 121.20 114.26 1rf4 s ILE 7 Ca 0.20 1.65 0.30 0.00 -1.10 0.00 0.00 60.65 61.69 1rf4 s ILE 7 Cb -0.10 -4.07 0.52 0.00 -1.06 0.00 0.00 42.46 37.76 1rf4 s ILE 7 CO 0.84 -0.13 1.97 0.54 -0.10 0.00 0.00 174.94 178.07 1rf4 n ARG 8 N 6.37 0.62 -3.63 2.79 5.12 -1.26 -4.58 116.66 122.09 1rf4 n ARG 8 Ca 0.13 -0.13 -0.06 0.00 -1.93 0.00 0.00 57.85 55.87 1rf4 n ARG 8 Cb 0.45 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.20 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 -2.46 -0.21 -0.10 -1.55 -3.43 -1.26 -4.41 115.29 101.87 1rf4 s HIS 9 Ca 0.31 0.45 -0.01 0.00 -0.80 0.00 0.00 55.06 55.01 1rf4 s HIS 9 Cb 0.20 0.45 0.03 0.00 -1.43 0.00 0.00 32.58 31.83 1rf4 s HIS 9 CO 0.46 -0.13 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.51 1rf4 s LEU 10 N -0.37 1.00 -0.04 5.38 1.43 -1.23 -4.64 118.68 120.21 1rf4 s LEU 10 Ca 0.05 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1rf4 s LEU 10 Cb -0.03 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.49 1rf4 s LEU 10 CO -0.08 -0.15 0.11 -1.00 0.23 0.00 0.00 176.35 175.46 1rf4 s HIS 11 N 1.79 -0.10 0.00 0.29 3.76 -1.05 -1.13 115.29 118.85 1rf4 s HIS 11 Ca 0.05 0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1rf4 s HIS 11 Cb -0.13 0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.60 1rf4 s HIS 11 CO -0.07 -0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 1rf4 n GLY 12 N 2.90 2.44 3.67 -2.22 0.00 -1.22 -4.42 105.19 106.34 1rf4 n GLY 12 Ca -0.13 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.91 4.33 -0.02 -0.61 1.01 -1.26 -1.64 121.20 121.10 1rf4 s ILE 13 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1rf4 s ILE 13 Cb 0.00 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.64 1rf4 s ILE 13 CO 0.00 0.59 -0.04 -0.63 0.00 0.00 0.00 174.94 174.86 1rf4 s ILE 14 N -0.69 0.40 -0.52 2.92 -1.09 -0.16 -4.98 121.20 117.09 1rf4 s ILE 14 Ca 0.11 -0.12 -0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1rf4 s ILE 14 Cb -0.12 -0.40 0.13 0.00 -1.58 0.00 0.00 42.46 40.49 1rf4 s ILE 14 CO 0.02 0.16 0.34 -0.13 -1.23 0.00 0.00 174.94 174.10 1rf4 s ARG 15 N 0.49 2.37 0.64 2.79 0.52 -1.26 -1.72 118.95 122.78 1rf4 s ARG 15 Ca -0.06 -2.08 -0.18 0.00 -0.52 0.00 0.00 55.73 52.89 1rf4 s ARG 15 Cb -0.09 -3.75 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 1rf4 s ARG 15 CO -0.00 -1.14 1.25 0.14 0.02 0.00 0.00 175.30 175.56 1rf4 s VAL 16 N 0.73 2.30 1.22 3.52 -7.23 -1.26 -4.99 120.40 114.68 1rf4 s VAL 16 Ca 0.11 0.18 -0.14 0.00 -1.81 0.00 0.00 61.98 60.32 1rf4 s VAL 16 Cb -0.22 -3.00 0.31 0.00 0.56 0.00 0.00 36.38 34.02 1rf4 s VAL 16 CO -0.03 -0.05 1.01 -2.16 -0.31 0.00 0.00 175.10 173.56 1rf4 s PRO 17 N -3.47 -1.34 0.75 4.82 0.04 -1.26 -4.48 135.00 130.07 1rf4 s PRO 17 Ca 0.79 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 1rf4 s PRO 17 Cb -0.33 -1.51 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1rf4 s PRO 17 CO 0.38 -3.98 1.05 0.41 0.04 0.00 0.00 177.00 174.91 1rf4 n GLY 18 N 1.01 -0.26 3.67 0.56 0.00 -1.26 -0.69 105.19 108.23 1rf4 n GLY 18 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1rf4 n GLY 18 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rf4 s ASP 19 N -1.78 6.64 0.15 1.61 -1.08 -0.06 -4.13 116.67 118.02 1rf4 s ASP 19 Ca 0.74 2.37 -0.16 0.00 -0.52 0.00 0.00 52.55 54.98 1rf4 s ASP 19 Cb -0.33 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.60 1rf4 s ASP 19 CO 0.50 -0.91 1.75 0.50 0.52 0.00 0.00 175.17 177.53 1rf4 h LYS 20 N 9.03 0.59 -0.58 4.34 3.64 -1.91 -0.48 116.57 131.20 1rf4 h LYS 20 Ca -0.41 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1rf4 h LYS 20 Cb 1.19 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1rf4 h LYS 20 CO 0.94 0.48 0.37 0.77 -2.27 0.00 0.00 179.45 179.74 1rf4 h SER 21 N 0.54 0.63 0.03 4.20 0.02 -2.00 -0.69 113.55 116.28 1rf4 h SER 21 Ca 0.15 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 1rf4 h SER 21 Cb 0.07 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1rf4 h SER 21 CO -0.02 0.45 -0.59 0.40 -1.14 0.00 0.00 176.83 175.93 1rf4 h ILE 22 N 0.75 1.32 -0.15 3.27 2.04 -1.94 -2.72 117.51 120.09 1rf4 h ILE 22 Ca 0.22 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1rf4 h ILE 22 Cb -0.04 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1rf4 h ILE 22 CO -0.07 0.57 0.07 0.28 0.00 0.00 0.00 178.15 179.01 1rf4 h SER 23 N 0.43 0.19 -0.41 1.72 0.02 -0.72 0.35 113.55 115.13 1rf4 h SER 23 Ca -0.00 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1rf4 h SER 23 Cb 1.14 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 1rf4 h SER 23 CO 0.11 0.26 0.08 0.45 -1.14 0.00 0.00 176.83 176.59 1rf4 h HIS 24 N 0.11 0.13 0.00 3.45 3.86 -1.13 -2.32 115.15 119.25 1rf4 h HIS 24 Ca 0.05 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 1rf4 h HIS 24 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1rf4 h HIS 24 CO -0.03 0.01 -0.41 0.00 0.86 0.00 0.00 177.93 178.36 1rf4 h ARG 25 N 0.21 0.00 -0.58 2.45 3.08 -1.27 -2.73 114.38 115.54 1rf4 h ARG 25 Ca 0.20 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1rf4 h ARG 25 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1rf4 h ARG 25 CO -0.26 0.41 0.24 0.66 -1.07 0.00 0.00 179.97 179.95 1rf4 h SER 26 N 0.00 0.77 -0.15 7.04 4.64 -0.36 0.49 113.55 125.98 1rf4 h SER 26 Ca -0.00 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 1rf4 h SER 26 Cb 0.77 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1rf4 h SER 26 CO 0.05 0.69 -0.22 0.40 -0.87 0.00 0.00 176.83 176.88 1rf4 h ILE 27 N 0.84 1.36 0.17 0.95 1.08 -1.31 -1.32 117.51 119.27 1rf4 h ILE 27 Ca 0.20 -1.45 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 1rf4 h ILE 27 Cb 0.16 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1rf4 h ILE 27 CO -0.02 0.43 -0.08 0.40 -0.69 0.00 0.00 178.15 178.19 1rf4 h ILE 28 N 0.02 0.86 -0.61 -0.67 2.04 -1.17 -1.01 117.51 116.97 1rf4 h ILE 28 Ca 0.01 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1rf4 h ILE 28 Cb 0.79 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1rf4 h ILE 28 CO 0.05 0.04 0.26 -0.26 0.00 0.00 0.00 178.15 178.23 1rf4 h PHE 29 N -0.30 0.92 -0.82 1.37 -1.00 -0.98 -0.71 116.94 115.41 1rf4 h PHE 29 Ca -0.02 -0.06 0.08 0.00 2.81 0.00 0.00 57.97 60.77 1rf4 h PHE 29 Cb 0.24 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.47 1rf4 h PHE 29 CO -0.04 0.72 0.53 0.78 -1.61 0.00 0.00 178.31 178.69 1rf4 h GLY 30 N 0.85 1.13 0.94 -1.45 0.00 -1.09 -0.57 103.07 102.88 1rf4 h GLY 30 Ca 0.21 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 47.01 1rf4 h GLY 30 CO -0.02 0.23 -0.66 1.76 0.00 0.00 0.00 176.54 177.85 1rf4 h SER 31 N 0.85 0.69 1.48 0.19 0.02 -0.48 -3.27 113.55 113.03 1rf4 h SER 31 Ca 0.36 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1rf4 h SER 31 Cb 0.30 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1rf4 h SER 31 CO -0.13 1.28 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.72 1rf4 h LEU 32 N 0.15 0.00-10.62 5.07 3.38 -0.82 -0.05 115.31 112.42 1rf4 h LEU 32 Ca -0.07 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.44 1rf4 h LEU 32 Cb 1.33 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.19 1rf4 h LEU 32 CO 0.13 0.04 0.39 0.00 0.09 0.00 0.00 178.44 179.09 1rf4 s ALA 33 N -3.43 2.40 -0.08 1.53 0.00 -0.25 -0.13 121.76 121.81 1rf4 s ALA 33 Ca 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1rf4 s ALA 33 Cb 0.07 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1rf4 s ALA 33 CO 0.62 -1.93 0.05 -1.21 0.00 0.00 0.00 175.76 173.29 1rf4 s GLU 34 N -5.57 3.10 0.10 0.00 2.02 0.12 -1.50 118.70 116.99 1rf4 s GLU 34 Ca 0.64 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1rf4 s GLU 34 Cb -0.11 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1rf4 s GLU 34 CO 0.50 0.71 0.00 0.41 0.02 0.00 0.00 175.26 176.90 1rf4 n GLY 35 N 1.89 -2.68 3.85 -1.39 0.00 -1.26 -0.37 105.19 105.23 1rf4 n GLY 35 Ca -0.18 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1rf4 n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1rf4 s GLU 36 N -0.40 3.79 -0.04 1.61 2.12 -1.26 -1.15 118.70 123.37 1rf4 s GLU 36 Ca 0.00 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.65 1rf4 s GLU 36 Cb 0.00 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 1rf4 s GLU 36 CO 0.00 0.71 -0.21 0.99 -0.54 0.00 0.00 175.26 176.22 1rf4 s THR 37 N -1.08 1.68 -0.10 -1.70 2.01 -0.22 -3.39 115.64 112.84 1rf4 s THR 37 Ca 0.22 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1rf4 s THR 37 Cb -0.15 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.94 1rf4 s THR 37 CO 0.11 0.47 -0.19 -0.54 -0.69 0.00 0.00 174.62 173.78 1rf4 s LYS 38 N -0.16 2.57 -0.17 4.92 1.02 -0.29 0.23 119.74 127.87 1rf4 s LYS 38 Ca -0.01 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 1rf4 s LYS 38 Cb -0.11 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1rf4 s LYS 38 CO 0.02 0.06 -0.07 0.08 -0.92 0.00 0.00 175.35 174.53 1rf4 s VAL 39 N 0.62 3.47 -0.04 3.17 1.01 0.63 -0.08 120.40 129.19 1rf4 s VAL 39 Ca -0.14 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1rf4 s VAL 39 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1rf4 s VAL 39 CO 0.04 0.48 -0.04 -0.31 0.00 0.00 0.00 175.10 175.27 1rf4 s TYR 40 N 0.75 3.01 -1.63 5.22 1.51 0.63 -1.98 117.35 124.87 1rf4 s TYR 40 Ca -0.03 0.06 -0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1rf4 s TYR 40 Cb -0.15 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1rf4 s TYR 40 CO 0.02 0.40 0.42 -0.25 -1.11 0.00 0.00 175.55 175.03 1rf4 n ASP 41 N 1.83 -6.04 -4.76 2.29 8.00 -1.26 -1.69 116.55 114.92 1rf4 n ASP 41 Ca -0.17 -0.20 -0.36 0.00 0.71 0.00 0.00 54.79 54.77 1rf4 n ASP 41 Cb 0.53 -4.93 0.02 0.00 -0.02 0.00 0.00 41.12 36.72 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 -3.13 2.76 -0.04 0.53 2.07 -1.26 -4.04 121.20 118.08 1rf4 s ILE 42 Ca 0.21 0.50 -0.30 0.00 -1.41 0.00 0.00 60.65 59.65 1rf4 s ILE 42 Cb -0.09 -3.22 -0.03 0.00 0.13 0.00 0.00 42.46 39.25 1rf4 s ILE 42 CO 0.26 -0.08 1.12 -0.22 -1.91 0.00 0.00 174.94 174.11 1rf4 s LEU 43 N -3.79 4.29 -0.40 8.50 1.98 -1.26 -4.64 118.68 123.36 1rf4 s LEU 43 Ca 0.74 1.75 0.06 0.00 -2.89 0.00 0.00 54.13 53.78 1rf4 s LEU 43 Cb -0.30 -3.56 0.63 0.00 0.66 0.00 0.00 46.19 43.62 1rf4 s LEU 43 CO 0.33 -0.49 1.80 0.54 -1.89 0.00 0.00 176.35 176.64 1rf4 n ARG 44 N 4.80 2.25 -1.04 1.98 1.74 -1.26 -4.73 116.66 120.40 1rf4 n ARG 44 Ca 0.09 -3.06 -0.30 0.00 -0.77 0.00 0.00 57.85 53.81 1rf4 n ARG 44 Cb 0.47 -2.09 0.14 0.00 -1.02 0.00 0.00 32.46 29.96 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 -1.60 1.65 0.37 -0.13 0.00 -1.26 -4.77 107.32 101.58 1rf4 s GLY 45 Ca 0.54 0.22 0.11 0.00 0.00 0.00 0.00 44.72 45.59 1rf4 s GLY 45 CO 0.08 0.66 1.87 0.83 0.00 0.00 0.00 173.10 176.54 1rf4 h GLU 46 N -1.56 0.58 -0.66 2.90 4.39 -0.88 -2.38 114.58 116.97 1rf4 h GLU 46 Ca -0.47 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 1rf4 h GLU 46 Cb 1.26 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 1rf4 h GLU 46 CO 0.50 0.39 0.33 -0.44 -1.16 0.00 0.00 179.01 178.62 1rf4 h ASP 47 N 0.60 0.85 0.30 1.42 3.45 -1.78 -0.89 116.42 120.37 1rf4 h ASP 47 Ca 0.45 -0.12 -0.13 0.00 0.43 0.00 0.00 57.03 57.66 1rf4 h ASP 47 Cb 0.85 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.39 1rf4 h ASP 47 CO -0.20 0.73 -0.54 0.58 -1.57 0.00 0.00 179.24 178.24 1rf4 h VAL 48 N 0.91 1.36 -0.50 -1.35 2.07 -1.69 -2.33 116.25 114.72 1rf4 h VAL 48 Ca 0.23 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 1rf4 h VAL 48 Cb 0.09 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1rf4 h VAL 48 CO -0.03 0.54 0.09 -0.07 0.02 0.00 0.00 177.57 178.12 1rf4 h LEU 49 N 0.20 0.73 -0.50 2.57 3.38 -1.15 -1.27 115.31 119.27 1rf4 h LEU 49 Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1rf4 h LEU 49 Cb 1.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1rf4 h LEU 49 CO 0.08 0.74 0.26 0.28 0.09 0.00 0.00 178.44 179.89 1rf4 h SER 50 N 0.75 0.64 -0.64 -0.43 0.02 -0.65 -1.47 113.55 111.77 1rf4 h SER 50 Ca 0.16 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1rf4 h SER 50 Cb 0.32 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1rf4 h SER 50 CO 0.00 0.56 0.33 0.74 -1.14 0.00 0.00 176.83 177.33 1rf4 h THR 51 N 0.66 1.21 -0.15 -2.27 2.02 -0.99 -1.94 112.91 111.45 1rf4 h THR 51 Ca 0.17 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1rf4 h THR 51 Cb 0.08 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1rf4 h THR 51 CO -0.03 0.23 0.09 0.24 0.37 0.00 0.00 175.52 176.43 1rf4 h MET 52 N 0.87 0.20 -0.42 6.66 2.07 -0.92 -2.77 114.93 120.63 1rf4 h MET 52 Ca 0.22 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.80 1rf4 h MET 52 Cb 0.07 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.74 1rf4 h MET 52 CO -0.03 0.17 0.10 0.37 1.07 0.00 0.00 176.91 178.59 1rf4 h GLN 53 N 0.18 0.62 0.01 1.72 5.75 -1.10 -1.99 115.11 120.29 1rf4 h GLN 53 Ca 0.05 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1rf4 h GLN 53 Cb 0.02 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1rf4 h GLN 53 CO -0.01 0.57 -0.12 0.28 -2.65 0.00 0.00 178.83 176.90 1rf4 h VAL 54 N 0.61 0.71 0.00 2.39 2.07 -1.09 0.88 116.25 121.82 1rf4 h VAL 54 Ca 0.14 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 1rf4 h VAL 54 Cb 0.23 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1rf4 h VAL 54 CO -0.00 0.00 -0.32 -0.26 0.02 0.00 0.00 177.57 177.01 1rf4 h PHE 55 N -0.20 0.00 -0.51 1.57 -1.00 -1.25 -0.68 116.94 114.87 1rf4 h PHE 55 Ca 0.04 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1rf4 h PHE 55 Cb 0.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1rf4 h PHE 55 CO -0.17 0.32 0.05 0.00 -1.61 0.00 0.00 178.31 176.90 1rf4 h ARG 56 N 0.00 0.87 0.00 1.51 3.08 -0.68 0.27 114.38 119.42 1rf4 h ARG 56 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1rf4 h ARG 56 Cb 0.58 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1rf4 h ARG 56 CO 0.04 0.88 -0.14 -0.44 -1.07 0.00 0.00 179.97 179.24 1rf4 h ASP 57 N 0.74 0.00 -0.25 7.04 3.45 -0.08 0.52 116.42 127.85 1rf4 h ASP 57 Ca 0.15 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1rf4 h ASP 57 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1rf4 h ASP 57 CO 0.02 0.14 0.00 0.18 -1.57 0.00 0.00 179.24 178.00 1rf4 n LEU 58 N -3.70 1.33 0.00 1.55 4.32 -0.33 -4.11 117.00 116.06 1rf4 n LEU 58 Ca -0.02 -0.66 0.00 0.00 -0.02 0.00 0.00 56.01 55.31 1rf4 n LEU 58 Cb 0.25 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1rf4 n LEU 58 CO 0.31 0.33 0.00 0.61 -1.22 0.00 0.00 177.39 177.42 1rf4 n GLY 59 N 0.90 0.76 3.72 -0.72 0.00 0.17 -1.45 105.19 108.57 1rf4 n GLY 59 Ca 0.09 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 5.19 -0.27 1.61 1.01 0.84 -4.98 120.40 121.81 1rf4 s VAL 60 Ca 0.00 0.94 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 1rf4 s VAL 60 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1rf4 s VAL 60 CO 0.00 0.32 1.13 -0.70 0.00 0.00 0.00 175.10 175.85 1rf4 s GLU 61 N 0.66 4.12 -0.23 2.72 2.12 -1.26 -3.85 118.70 122.97 1rf4 s GLU 61 Ca 0.26 1.26 -0.02 0.00 0.36 0.00 0.00 54.97 56.83 1rf4 s GLU 61 Cb -0.15 -3.74 0.07 0.00 0.26 0.00 0.00 34.13 30.57 1rf4 s GLU 61 CO 0.10 -0.84 0.04 0.42 -0.54 0.00 0.00 175.26 174.44 1rf4 s ILE 62 N 3.62 0.75 -0.21 -3.70 1.01 -1.26 -1.39 121.20 120.03 1rf4 s ILE 62 Ca 0.48 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 1rf4 s ILE 62 Cb -0.15 -1.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1rf4 s ILE 62 CO 0.14 -0.33 0.10 -0.70 0.00 0.00 0.00 174.94 174.15 1rf4 s GLU 63 N 1.73 3.97 -0.51 2.79 2.12 -0.02 -4.93 118.70 123.85 1rf4 s GLU 63 Ca 0.01 -0.33 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 1rf4 s GLU 63 Cb -0.17 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.00 1rf4 s GLU 63 CO -0.13 0.14 0.38 0.34 -0.54 0.00 0.00 175.26 175.46 1rf4 s ASP 64 N 0.76 5.73 -0.07 -1.70 3.68 -1.26 -0.00 116.67 123.80 1rf4 s ASP 64 Ca 0.05 -2.04 0.01 0.00 2.13 0.00 0.00 52.55 52.70 1rf4 s ASP 64 Cb -0.13 -2.01 0.02 0.00 -1.45 0.00 0.00 42.92 39.35 1rf4 s ASP 64 CO 0.02 -0.66 -0.08 -0.75 0.13 0.00 0.00 175.17 173.83 1rf4 s LYS 65 N 1.17 1.32 -1.50 4.34 2.20 -0.06 -4.82 119.74 122.39 1rf4 s LYS 65 Ca 0.07 -0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 55.36 1rf4 s LYS 65 Cb -0.25 -1.27 0.07 0.00 -1.51 0.00 0.00 37.83 34.87 1rf4 s LYS 65 CO -0.01 -0.12 0.77 -0.25 -0.36 0.00 0.00 175.35 175.38 1rf4 n ASP 66 N 4.34 -2.84 0.00 1.43 8.00 -1.26 -1.15 116.55 125.07 1rf4 n ASP 66 Ca -0.19 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1rf4 n ASP 66 Cb 0.51 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 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 -1.67 1.79 3.53 0.44 0.00 -1.26 -5.02 105.19 103.01 1rf4 n GLY 67 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.56 3.85 -0.23 1.61 1.01 -0.30 -4.45 120.40 118.33 1rf4 s VAL 68 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1rf4 s VAL 68 Cb 0.00 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1rf4 s VAL 68 CO 0.00 0.53 0.29 -0.63 0.00 0.00 0.00 175.10 175.30 1rf4 s ILE 69 N -0.06 5.26 -0.19 2.22 -1.09 -0.84 -0.88 121.20 125.62 1rf4 s ILE 69 Ca 0.01 0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.90 1rf4 s ILE 69 Cb -0.13 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1rf4 s ILE 69 CO 0.03 0.27 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.94 1rf4 s THR 70 N 1.36 2.15 -0.15 2.92 2.01 0.99 -0.27 115.64 124.66 1rf4 s THR 70 Ca 0.13 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1rf4 s THR 70 Cb -0.14 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 1rf4 s THR 70 CO 0.07 0.48 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.74 1rf4 s VAL 71 N 1.28 3.83 -0.62 3.82 1.01 0.14 -0.84 120.40 129.01 1rf4 s VAL 71 Ca 0.04 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1rf4 s VAL 71 Cb -0.14 -2.67 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1rf4 s VAL 71 CO -0.12 0.50 0.73 -1.10 0.00 0.00 0.00 175.10 175.11 1rf4 s GLN 72 N 0.33 3.09 0.56 2.72 -1.52 -0.48 -1.06 119.66 123.30 1rf4 s GLN 72 Ca -0.04 -1.38 -0.20 0.00 -1.95 0.00 0.00 55.36 51.78 1rf4 s GLN 72 Cb -0.14 -4.30 -0.06 0.00 -0.22 0.00 0.00 33.01 28.29 1rf4 s GLN 72 CO 0.03 -1.55 1.07 0.41 -0.25 0.00 0.00 175.29 175.01 1rf4 n GLY 73 N 5.24 -0.02 0.58 3.09 0.00 -0.30 -4.29 105.19 109.49 1rf4 n GLY 73 Ca -0.07 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.36 0.07 -0.07 1.61 0.24 -0.03 -4.45 118.33 114.34 1rf4 n VAL 74 Ca 0.12 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1rf4 n VAL 74 Cb 0.45 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 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 0.78 0.49 0.00 7.63 0.00 -0.56 -3.46 105.19 110.08 1rf4 n GLY 75 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1rf4 n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1rf4 n MET 76 N -2.00 0.00 -0.93 1.61 1.56 0.82 -4.71 117.12 113.46 1rf4 n MET 76 Ca 0.00 0.00 0.04 0.00 -0.27 0.00 0.00 57.70 57.47 1rf4 n MET 76 Cb 0.00 0.00 0.06 0.00 2.15 0.00 0.00 33.22 35.43 1rf4 n MET 76 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rf4 n ALA 77 N -0.41 2.48 0.19 -5.12 0.00 -1.26 -4.83 120.51 111.56 1rf4 n ALA 77 Ca 0.00 -2.19 0.10 0.00 0.00 0.00 0.00 53.44 51.36 1rf4 n ALA 77 Cb 0.00 -0.57 0.20 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.11 1.73 3.77 0.00 0.00 -1.22 -4.99 105.19 104.36 1rf4 n GLY 78 Ca 0.08 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.30 4.35 0.13 0.99 1.02 -1.26 -4.93 118.68 117.67 1rf4 s LEU 79 Ca 0.34 2.26 0.11 0.00 0.02 0.00 0.00 54.13 56.86 1rf4 s LEU 79 Cb 0.20 -3.87 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 1rf4 s LEU 79 CO 0.27 -0.39 -0.27 -0.54 0.02 0.00 0.00 176.35 175.44 1rf4 s LYS 80 N -1.95 1.41 0.22 1.70 1.02 -0.53 -4.91 119.74 116.70 1rf4 s LYS 80 Ca 0.51 -1.34 -0.32 0.00 0.02 0.00 0.00 55.97 54.84 1rf4 s LYS 80 Cb -0.30 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 34.97 1rf4 s LYS 80 CO 0.38 0.45 1.33 0.00 -0.92 0.00 0.00 175.35 176.59 1rf4 n ALA 81 N 0.94 0.54 -2.02 5.17 0.00 -1.26 -4.43 120.51 119.45 1rf4 n ALA 81 Ca -0.18 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.37 1rf4 n ALA 81 Cb 0.53 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.40 3.93 0.19 0.00 0.04 -1.26 -4.89 135.00 132.62 1rf4 s PRO 82 Ca 0.70 0.75 -0.10 0.00 0.04 0.00 0.00 61.00 62.38 1rf4 s PRO 82 Cb -0.71 -2.29 0.11 0.00 0.04 0.00 0.00 34.50 31.65 1rf4 s PRO 82 CO 0.50 -0.08 1.74 -0.56 0.04 0.00 0.00 177.00 178.65 1rf4 h GLN 83 N 1.42 1.02 -5.08 4.56 -0.00 -1.93 -3.45 115.11 111.65 1rf4 h GLN 83 Ca -0.47 -0.20 -0.65 0.00 -0.00 0.00 0.00 58.65 57.33 1rf4 h GLN 83 Cb 1.18 -0.16 -0.13 0.00 -0.00 0.00 0.00 27.48 28.37 1rf4 h GLN 83 CO 0.63 0.86 -0.50 -0.80 -0.00 0.00 0.00 178.83 179.02 1rf4 s ASN 84 N -6.23 3.68 0.71 0.06 0.01 -1.26 -5.13 114.94 106.79 1rf4 s ASN 84 Ca -0.13 -1.72 -0.15 0.00 -0.71 0.00 0.00 52.86 50.15 1rf4 s ASN 84 Cb 0.14 0.66 0.03 0.00 0.41 0.00 0.00 41.25 42.49 1rf4 s ASN 84 CO 0.82 -0.95 1.17 0.00 -1.51 0.00 0.00 177.10 176.62 1rf4 s ALA 85 N -3.01 2.22 -0.09 0.60 0.00 -1.26 -4.90 121.76 115.31 1rf4 s ALA 85 Ca 0.09 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.56 1rf4 s ALA 85 Cb 0.01 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1rf4 s ALA 85 CO 0.06 -1.70 0.76 -0.51 0.00 0.00 0.00 175.76 174.37 1rf4 s LEU 86 N -5.10 4.28 -0.57 0.00 1.43 0.89 -4.97 118.68 114.64 1rf4 s LEU 86 Ca 0.72 1.21 -0.18 0.00 -1.03 0.00 0.00 54.13 54.85 1rf4 s LEU 86 Cb -0.26 -3.16 0.11 0.00 0.03 0.00 0.00 46.19 42.91 1rf4 s LEU 86 CO 0.44 -0.21 0.62 0.21 0.23 0.00 0.00 176.35 177.64 1rf4 s ASN 87 N 0.94 6.19 0.00 2.29 3.84 -1.26 -1.34 114.94 125.59 1rf4 s ASN 87 Ca 0.39 -1.55 0.29 0.00 0.21 0.00 0.00 52.86 52.20 1rf4 s ASN 87 Cb -0.18 -2.27 1.30 0.00 -0.55 0.00 0.00 41.25 39.56 1rf4 s ASN 87 CO 0.17 -1.01 1.92 0.23 -2.79 0.00 0.00 177.10 175.63 1rf4 n MET 88 N 5.92 0.40 0.00 0.43 2.81 0.45 -4.85 117.12 122.28 1rf4 n MET 88 Ca -0.11 -0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1rf4 n MET 88 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 1.34 3.50 0.04 3.03 0.00 -1.25 -1.94 105.19 109.92 1rf4 n GLY 89 Ca 0.12 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 5.09 0.64 -4.56 1.61 2.85 -1.26 -0.83 115.26 118.80 1rf4 n ASN 90 Ca 0.00 -0.09 -0.39 0.00 -0.11 0.00 0.00 54.58 53.99 1rf4 n ASN 90 Cb 0.00 0.59 -0.03 0.00 1.24 0.00 0.00 39.78 41.58 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 -4.05 5.32 0.23 1.20 0.15 -0.82 -4.69 113.70 111.04 1rf4 s SER 91 Ca 0.04 0.50 -0.03 0.00 0.70 0.00 0.00 55.95 57.16 1rf4 s SER 91 Cb 0.14 -2.53 0.24 0.00 -1.71 0.00 0.00 66.02 62.16 1rf4 s SER 91 CO 0.77 -2.31 1.65 1.23 1.20 0.00 0.00 173.24 175.79 1rf4 h GLY 92 N 16.20 0.77 0.81 9.45 0.00 -1.91 -2.84 103.07 125.55 1rf4 h GLY 92 Ca -0.27 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.45 1rf4 h GLY 92 CO 1.19 0.59 0.27 -0.84 0.00 0.00 0.00 176.54 177.75 1rf4 h THR 93 N 0.62 1.00 0.54 4.70 2.02 -1.97 -1.59 112.91 118.24 1rf4 h THR 93 Ca 0.09 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1rf4 h THR 93 Cb 0.71 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1rf4 h THR 93 CO 0.05 0.10 -0.33 0.28 0.37 0.00 0.00 175.52 175.99 1rf4 h SER 94 N 0.53 -0.83 -0.54 4.18 0.02 -1.86 -0.95 113.55 114.09 1rf4 h SER 94 Ca 0.21 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1rf4 h SER 94 Cb 0.07 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1rf4 h SER 94 CO -0.12 -0.52 0.15 -0.29 -1.14 0.00 0.00 176.83 174.91 1rf4 h ILE 95 N -0.83 1.24 -0.04 3.27 2.10 -1.41 -0.81 117.51 121.04 1rf4 h ILE 95 Ca -0.06 -0.85 -0.06 0.00 1.08 0.00 0.00 64.86 64.97 1rf4 h ILE 95 Cb 0.67 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1rf4 h ILE 95 CO 0.07 0.32 -0.20 0.03 -1.08 0.00 0.00 178.15 177.29 1rf4 h ARG 96 N 0.87 0.20 -0.23 2.19 3.08 -1.25 -2.73 114.38 116.52 1rf4 h ARG 96 Ca 0.19 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 1rf4 h ARG 96 Cb 0.31 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1rf4 h ARG 96 CO -0.00 0.82 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.14 1rf4 h LEU 97 N -0.37 0.71 -1.33 3.04 3.38 -1.17 -2.87 115.31 116.70 1rf4 h LEU 97 Ca -0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rf4 h LEU 97 Cb 0.86 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1rf4 h LEU 97 CO 0.04 1.09 0.00 0.40 0.09 0.00 0.00 178.44 180.06 1rf4 h ILE 98 N 0.50 0.00 -0.59 1.22 2.04 -1.24 -1.72 117.51 117.72 1rf4 h ILE 98 Ca 0.02 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.31 1rf4 h ILE 98 Cb 1.06 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 1rf4 h ILE 98 CO 0.10 0.00 0.01 0.28 0.00 0.00 0.00 178.15 178.54 1rf4 h SER 99 N 0.00 0.99 0.42 1.72 0.02 -1.24 -0.52 113.55 114.94 1rf4 h SER 99 Ca 0.00 -0.27 -0.20 0.00 -0.84 0.00 0.00 61.79 60.48 1rf4 h SER 99 Cb 0.50 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1rf4 h SER 99 CO 0.00 1.04 -0.85 1.23 -1.14 0.00 0.00 176.83 177.11 1rf4 h GLY 100 N 1.00 0.35 1.06 -3.77 0.00 -1.43 -3.16 103.07 97.12 1rf4 h GLY 100 Ca 0.17 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1rf4 h GLY 100 CO 0.03 0.51 0.49 -2.08 0.00 0.00 0.00 176.54 175.48 1rf4 h VAL 101 N 0.19 1.25 -0.17 4.60 2.07 -0.94 -2.41 116.25 120.84 1rf4 h VAL 101 Ca -0.05 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1rf4 h VAL 101 Cb 1.46 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1rf4 h VAL 101 CO 0.14 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.19 1rf4 n LEU 102 N -4.33 1.09 -0.00 2.57 4.77 -0.24 -4.18 117.00 116.68 1rf4 n LEU 102 Ca 0.09 -0.52 0.16 0.00 -0.03 0.00 0.00 56.01 55.71 1rf4 n LEU 102 Cb 0.10 -0.11 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 1rf4 n LEU 102 CO 0.39 0.26 1.17 0.00 -1.33 0.00 0.00 177.39 177.88 1rf4 h ALA 103 N 3.57 2.26 -0.67 -1.18 0.00 -1.40 -0.74 119.26 121.10 1rf4 h ALA 103 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rf4 h ALA 103 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rf4 h ALA 103 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.27 1rf4 n GLY 104 N -1.58 2.18 3.71 0.00 0.00 -1.26 -1.77 105.19 106.47 1rf4 n GLY 104 Ca 0.08 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.11 3.55 -1.22 4.61 0.00 -0.28 -4.44 121.76 122.87 1rf4 s ALA 105 Ca 0.46 1.03 -0.05 0.00 0.00 0.00 0.00 51.96 53.40 1rf4 s ALA 105 Cb 0.24 -3.53 0.19 0.00 0.00 0.00 0.00 23.12 20.02 1rf4 s ALA 105 CO 0.31 -0.63 2.10 -3.47 0.00 0.00 0.00 175.76 174.07 1rf4 n ASP 106 N 4.18 7.36 -3.60 0.00 2.03 -1.26 -1.79 116.55 123.47 1rf4 n ASP 106 Ca 0.11 -3.31 0.01 0.00 0.52 0.00 0.00 54.79 52.13 1rf4 n ASP 106 Cb 0.43 -1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 39.51 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 -1.93 -0.04 -0.12 -0.67 -0.12 -1.26 -5.01 117.98 108.83 1rf4 s PHE 107 Ca 0.46 -0.01 -0.02 0.00 -0.05 0.00 0.00 56.93 57.31 1rf4 s PHE 107 Cb 0.16 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 43.05 1rf4 s PHE 107 CO -0.07 -0.14 -0.05 -2.00 -0.05 0.00 0.00 175.22 172.90 1rf4 s GLU 108 N -2.24 3.33 0.13 1.99 2.12 -1.26 -2.79 118.70 119.99 1rf4 s GLU 108 Ca 0.13 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 54.97 1rf4 s GLU 108 Cb 0.04 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1rf4 s GLU 108 CO -0.05 0.39 -0.11 0.54 -0.54 0.00 0.00 175.26 175.50 1rf4 s VAL 109 N -0.06 1.17 -0.11 3.70 0.11 0.17 -4.94 120.40 120.44 1rf4 s VAL 109 Ca 0.01 -1.93 -0.01 0.00 -2.93 0.00 0.00 61.98 57.12 1rf4 s VAL 109 Cb -0.13 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 1rf4 s VAL 109 CO 0.03 -0.65 -0.05 -0.70 -3.33 0.00 0.00 175.10 170.40 1rf4 s GLU 110 N -3.38 3.17 -0.12 1.54 2.12 -1.26 -0.16 118.70 120.61 1rf4 s GLU 110 Ca 0.13 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1rf4 s GLU 110 Cb 0.00 -2.75 0.02 0.00 0.26 0.00 0.00 34.13 31.66 1rf4 s GLU 110 CO 0.01 0.49 -0.14 -1.64 -0.54 0.00 0.00 175.26 173.45 1rf4 s MET 111 N -0.32 2.09 0.23 4.30 -1.94 0.05 -0.07 119.30 123.63 1rf4 s MET 111 Ca 0.05 -0.50 0.06 0.00 -1.71 0.00 0.00 55.69 53.59 1rf4 s MET 111 Cb -0.12 -1.86 -0.05 0.00 2.01 0.00 0.00 34.83 34.81 1rf4 s MET 111 CO 0.02 -0.13 -0.08 -0.59 -0.01 0.00 0.00 175.02 174.23 1rf4 s PHE 112 N 1.20 1.70 0.27 -0.03 -0.71 -0.45 -0.34 117.98 119.61 1rf4 s PHE 112 Ca -0.02 -0.72 0.05 0.00 -1.04 0.00 0.00 56.93 55.20 1rf4 s PHE 112 Cb -0.14 -0.91 -0.02 0.00 -1.21 0.00 0.00 43.02 40.74 1rf4 s PHE 112 CO -0.05 0.20 0.19 0.41 -1.34 0.00 0.00 175.22 174.64 1rf4 n GLY 113 N -0.43 3.24 0.71 1.99 0.00 -1.26 -0.41 105.19 109.02 1rf4 n GLY 113 Ca -0.07 -1.90 -0.06 0.00 0.00 0.00 0.00 46.02 44.00 1rf4 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rf4 n ASP 114 N -1.91 -0.56 -0.24 1.61 3.85 -0.01 -4.63 116.55 114.67 1rf4 n ASP 114 Ca 0.03 -0.87 0.00 0.00 -0.71 0.00 0.00 54.79 53.24 1rf4 n ASP 114 Cb 0.47 -0.19 0.12 0.00 -1.35 0.00 0.00 41.12 40.16 1rf4 n ASP 114 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1rf4 h ASP 115 N -0.81 0.49 0.35 -1.12 -0.00 -1.99 -1.37 116.42 111.97 1rf4 h ASP 115 Ca -0.08 0.05 -0.02 0.00 -0.00 0.00 0.00 57.03 56.98 1rf4 h ASP 115 Cb 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.53 1rf4 h ASP 115 CO 0.05 0.29 -0.17 -1.28 -0.00 0.00 0.00 179.24 178.14 1rf4 h SER 116 N 0.63 -0.40 -0.76 4.15 0.87 -1.91 -3.17 113.55 112.96 1rf4 h SER 116 Ca 0.33 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1rf4 h SER 116 Cb 0.30 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 1rf4 h SER 116 CO -0.24 -0.08 0.50 0.25 -0.53 0.00 0.00 176.83 176.73 1rf4 h LEU 117 N -0.74 0.72 0.00 2.23 6.46 -1.77 -1.54 115.31 120.67 1rf4 h LEU 117 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1rf4 h LEU 117 Cb 0.50 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 1rf4 h LEU 117 CO 0.08 0.47 0.00 -1.20 -0.62 0.00 0.00 178.44 177.17 1rf4 n SER 118 N -4.48 0.00 -0.84 1.25 7.64 -0.53 -1.82 113.62 114.84 1rf4 n SER 118 Ca 0.11 0.31 0.12 0.00 1.01 0.00 0.00 58.87 60.42 1rf4 n SER 118 Cb 0.20 -0.39 0.08 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.39 2.05 -3.85 1.43 5.02 -0.58 -4.11 118.16 116.73 1rf4 n LYS 119 Ca 0.04 -1.69 -0.36 0.00 -2.02 0.00 0.00 58.31 54.27 1rf4 n LYS 119 Cb 0.09 -1.46 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.12 3.76 0.22 1.97 0.52 -0.76 -5.06 118.95 117.48 1rf4 s ARG 120 Ca 0.26 -0.20 -0.30 0.00 -0.52 0.00 0.00 55.73 54.97 1rf4 s ARG 120 Cb 0.20 -3.26 -0.10 0.00 0.52 0.00 0.00 34.95 32.30 1rf4 s ARG 120 CO 0.37 0.55 1.46 -1.25 0.02 0.00 0.00 175.30 176.44 1rf4 s PRO 121 N -0.36 4.27 0.00 3.54 0.04 -1.26 -4.26 135.00 136.96 1rf4 s PRO 121 Ca 0.11 2.28 0.08 0.00 0.04 0.00 0.00 61.00 63.51 1rf4 s PRO 121 Cb -0.12 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1rf4 s PRO 121 CO 0.01 -0.45 0.67 -1.33 0.04 0.00 0.00 177.00 175.94 1rf4 n MET 122 N 2.84 0.93 0.01 4.56 2.81 -0.65 -4.57 117.12 123.05 1rf4 n MET 122 Ca 0.09 -0.81 0.10 0.00 -1.81 0.00 0.00 57.70 55.27 1rf4 n MET 122 Cb 0.40 -1.10 0.52 0.00 -0.71 0.00 0.00 33.22 32.33 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 1.30 0.30 0.07 7.83 2.03 -1.40 0.31 116.42 126.87 1rf4 h ASP 123 Ca 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1rf4 h ASP 123 Cb 0.31 -0.06 -0.00 0.00 -0.83 0.00 0.00 39.33 38.74 1rf4 h ASP 123 CO 0.00 0.20 -0.01 0.08 -1.03 0.00 0.00 179.24 178.48 1rf4 h ARG 124 N 0.34 0.00 0.00 4.15 0.11 -1.85 -1.27 114.38 115.87 1rf4 h ARG 124 Ca 0.19 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.06 1rf4 h ARG 124 Cb 0.33 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.37 1rf4 h ARG 124 CO -0.04 0.01 -1.79 1.55 0.10 0.00 0.00 179.97 179.80 1rf4 n VAL 125 N -3.32 0.79 0.05 0.08 3.14 0.73 -4.55 118.33 115.24 1rf4 n VAL 125 Ca -0.03 -0.48 -0.08 0.00 -2.96 0.00 0.00 64.34 60.80 1rf4 n VAL 125 Cb 0.09 -0.71 0.08 0.00 -1.06 0.00 0.00 33.84 32.24 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 1.36 0.67 1.55 1.35 -0.26 -2.72 112.91 114.87 1rf4 h THR 126 Ca -0.31 -1.96 -0.03 0.00 -0.55 0.00 0.00 66.41 63.56 1rf4 h THR 126 Cb 1.70 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 70.07 1rf4 h THR 126 CO 0.01 0.59 -0.43 0.25 -0.25 0.00 0.00 175.52 175.70 1rf4 h LEU 127 N 0.27 -1.08 -0.90 3.87 6.46 -1.49 -0.75 115.31 121.70 1rf4 h LEU 127 Ca -0.01 0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.73 1rf4 h LEU 127 Cb 1.15 0.32 -0.02 0.00 -0.73 0.00 0.00 40.66 41.38 1rf4 h LEU 127 CO 0.10 -0.65 -0.07 1.55 -0.62 0.00 0.00 178.44 178.75 1rf4 h PRO 128 N -1.04 0.74 -0.66 5.25 0.13 -1.80 -2.91 132.00 131.71 1rf4 h PRO 128 Ca -0.09 -0.22 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1rf4 h PRO 128 Cb 0.84 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 1rf4 h PRO 128 CO 0.08 0.80 0.32 -0.07 -0.23 0.00 0.00 178.00 178.90 1rf4 h LEU 129 N 0.68 0.84 -1.55 1.56 4.07 -1.37 -1.92 115.31 117.62 1rf4 h LEU 129 Ca 0.12 -0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 1rf4 h LEU 129 Cb 0.52 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1rf4 h LEU 129 CO 0.03 0.70 -0.23 0.11 -1.08 0.00 0.00 178.44 177.97 1rf4 h LYS 130 N 0.93 0.00 0.00 1.13 1.57 -0.94 -1.55 116.57 117.71 1rf4 h LYS 130 Ca 0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1rf4 h LYS 130 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1rf4 h LYS 130 CO -0.03 0.23 -0.08 0.87 -0.57 0.00 0.00 179.45 179.87 1rf4 h LYS 131 N 0.00 0.00 -0.01 3.15 1.57 -1.27 -2.08 116.57 117.93 1rf4 h LYS 131 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rf4 h LYS 131 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1rf4 h LYS 131 CO 0.03 0.08 -0.20 -1.33 -0.57 0.00 0.00 179.45 177.46 1rf4 n MET 132 N -3.36 0.73 0.00 3.15 2.81 -0.60 -4.83 117.12 115.01 1rf4 n MET 132 Ca -0.01 -0.36 0.00 0.00 -1.81 0.00 0.00 57.70 55.52 1rf4 n MET 132 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 1.33 0.65 3.77 3.03 0.00 -0.78 -0.66 105.19 112.52 1rf4 n GLY 133 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 4.01 -0.41 1.61 1.01 -1.07 -4.70 120.40 118.85 1rf4 s VAL 134 Ca 0.00 1.81 -0.07 0.00 0.00 0.00 0.00 61.98 63.72 1rf4 s VAL 134 Cb 0.00 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.40 1rf4 s VAL 134 CO 0.00 0.27 0.22 -0.55 0.00 0.00 0.00 175.10 175.04 1rf4 s SER 135 N -1.37 5.48 -0.02 3.32 0.15 -0.73 -3.94 113.70 116.59 1rf4 s SER 135 Ca 0.47 -1.62 0.02 0.00 0.70 0.00 0.00 55.95 55.53 1rf4 s SER 135 Cb -0.23 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1rf4 s SER 135 CO 0.29 -0.52 -0.07 -0.63 1.20 0.00 0.00 173.24 173.52 1rf4 s ILE 136 N 1.34 0.57 0.02 6.45 1.01 -1.26 -0.92 121.20 128.41 1rf4 s ILE 136 Ca 0.03 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1rf4 s ILE 136 Cb -0.23 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.76 1rf4 s ILE 136 CO 0.00 0.18 0.32 -0.94 0.00 0.00 0.00 174.94 174.50 1rf4 s SER 137 N 0.11 -0.16 0.00 3.58 1.04 -0.95 -4.97 113.70 112.35 1rf4 s SER 137 Ca -0.01 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1rf4 s SER 137 Cb -0.06 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1rf4 s SER 137 CO -0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1rf4 n GLY 138 N 0.86 5.82 3.76 7.32 0.00 -1.26 -1.51 105.19 120.19 1rf4 n GLY 138 Ca -0.20 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 1.16 4.32 0.33 1.61 -1.52 0.93 -4.70 119.66 121.78 1rf4 s GLN 139 Ca 0.00 0.70 0.00 0.00 -1.95 0.00 0.00 55.36 54.11 1rf4 s GLN 139 Cb 0.00 -3.36 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 1rf4 s GLN 139 CO 0.00 0.33 0.00 0.25 -0.25 0.00 0.00 175.29 175.62 1rf4 n THR 140 N 2.91 0.00 0.31 -0.19 -2.24 -1.26 -0.64 114.28 113.16 1rf4 n THR 140 Ca -0.07 0.17 0.19 0.00 -2.27 0.00 0.00 64.05 62.08 1rf4 n THR 140 Cb 0.51 -0.58 0.90 0.00 -2.10 0.00 0.00 70.33 69.06 1rf4 n THR 140 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1rf4 h GLU 141 N -1.12 0.00 -0.01 -0.78 -0.00 -2.01 -1.63 114.58 109.03 1rf4 h GLU 141 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1rf4 h GLU 141 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 1rf4 h GLU 141 CO 0.02 0.00 -0.04 0.54 -0.00 0.00 0.00 179.01 179.53 1rf4 n ARG 142 N -2.96 1.17 -3.58 1.06 1.74 -1.26 -4.82 116.66 108.01 1rf4 n ARG 142 Ca -0.01 -0.45 -0.27 0.00 -0.77 0.00 0.00 57.85 56.35 1rf4 n ARG 142 Cb 0.18 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 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 -0.52 -5.67 -4.81 0.55 8.00 -0.61 -1.44 116.55 112.05 1rf4 n ASP 143 Ca 0.19 -0.93 -0.34 0.00 0.71 0.00 0.00 54.79 54.42 1rf4 n ASP 143 Cb 0.26 -3.75 -0.06 0.00 -0.02 0.00 0.00 41.12 37.55 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 -6.16 3.95 0.80 0.64 1.02 0.19 -2.05 118.68 117.06 1rf4 s LEU 144 Ca 0.45 1.79 -0.13 0.00 0.02 0.00 0.00 54.13 56.26 1rf4 s LEU 144 Cb -0.14 -4.49 0.08 0.00 0.02 0.00 0.00 46.19 41.66 1rf4 s LEU 144 CO 0.84 -0.47 1.20 -2.84 0.02 0.00 0.00 176.35 175.10 1rf4 s PRO 145 N -3.08 1.70 0.52 1.29 0.02 -1.26 -0.05 135.00 134.14 1rf4 s PRO 145 Ca 0.62 1.72 -0.20 0.00 0.02 0.00 0.00 61.00 63.16 1rf4 s PRO 145 Cb -0.12 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 1rf4 s PRO 145 CO 0.16 -2.16 1.13 -1.25 -0.33 0.00 0.00 177.00 174.56 1rf4 s PRO 146 N -4.17 3.48 0.21 5.54 0.04 -1.26 -4.69 135.00 134.15 1rf4 s PRO 146 Ca 0.72 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.48 1rf4 s PRO 146 Cb -0.28 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 1rf4 s PRO 146 CO 0.50 -0.75 -0.03 -0.51 0.04 0.00 0.00 177.00 176.25 1rf4 s LEU 147 N -3.59 3.17 -0.11 -3.56 1.43 0.53 -4.13 118.68 112.42 1rf4 s LEU 147 Ca 0.70 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1rf4 s LEU 147 Cb -0.24 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1rf4 s LEU 147 CO 0.28 0.06 -0.11 -0.13 0.23 0.00 0.00 176.35 176.68 1rf4 s ARG 148 N -3.15 1.84 -0.07 1.70 0.52 -0.57 -0.77 118.95 118.45 1rf4 s ARG 148 Ca 0.28 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1rf4 s ARG 148 Cb -0.08 -1.70 0.01 0.00 0.52 0.00 0.00 34.95 33.69 1rf4 s ARG 148 CO 0.18 -0.16 -0.18 -1.17 0.02 0.00 0.00 175.30 173.99 1rf4 s LEU 149 N 1.31 1.86 -0.20 2.53 0.20 0.78 -2.24 118.68 122.91 1rf4 s LEU 149 Ca -0.01 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.41 1rf4 s LEU 149 Cb -0.14 -1.07 0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1rf4 s LEU 149 CO -0.05 0.10 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.23 1rf4 s LYS 150 N 0.43 2.30 0.15 1.98 2.20 -0.10 0.44 119.74 127.14 1rf4 s LYS 150 Ca -0.14 -0.89 -0.02 0.00 -0.36 0.00 0.00 55.97 54.55 1rf4 s LYS 150 Cb -0.16 -2.49 0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1rf4 s LYS 150 CO 0.05 -0.38 0.20 0.41 -0.36 0.00 0.00 175.35 175.27 1rf4 n GLY 151 N 4.64 -1.06 3.24 5.54 0.00 -0.74 -1.78 105.19 115.03 1rf4 n GLY 151 Ca -0.16 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 1rf4 n GLY 151 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rf4 s THR 152 N -1.36 0.04 -1.42 2.61 -1.32 -0.73 -4.63 115.64 108.82 1rf4 s THR 152 Ca 0.11 -0.32 0.29 0.00 -1.21 0.00 0.00 61.69 60.56 1rf4 s THR 152 Cb -0.00 -0.58 0.50 0.00 -1.51 0.00 0.00 72.50 70.91 1rf4 s THR 152 CO 0.08 -0.18 1.99 0.29 -2.21 0.00 0.00 174.62 174.60 1rf4 n LYS 153 N 1.79 0.40 -2.82 7.08 4.76 -1.26 -3.89 118.16 124.23 1rf4 n LYS 153 Ca -0.19 0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.01 1rf4 n LYS 153 Cb 0.56 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.29 4.03 -4.74 4.39 3.02 -1.26 -5.05 115.26 114.37 1rf4 n ASN 154 Ca 0.14 -3.58 -0.42 0.00 -0.03 0.00 0.00 54.58 50.69 1rf4 n ASN 154 Cb 0.23 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1rf4 n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rf4 s LEU 155 N -3.37 4.36 -0.08 3.41 1.43 -1.25 -4.88 118.68 118.30 1rf4 s LEU 155 Ca 0.47 2.84 -0.13 0.00 -1.03 0.00 0.00 54.13 56.28 1rf4 s LEU 155 Cb 0.33 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1rf4 s LEU 155 CO -0.14 -0.89 0.31 -0.13 0.23 0.00 0.00 176.35 175.73 1rf4 s ARG 156 N 0.22 3.90 0.84 1.70 0.52 0.16 -3.33 118.95 122.98 1rf4 s ARG 156 Ca 0.67 0.18 -0.14 0.00 -0.52 0.00 0.00 55.73 55.92 1rf4 s ARG 156 Cb -0.47 -3.28 0.04 0.00 0.52 0.00 0.00 34.95 31.76 1rf4 s ARG 156 CO 0.40 0.57 0.76 -0.35 0.02 0.00 0.00 175.30 176.70 1rf4 n PRO 157 N 2.42 -0.00 -4.39 3.54 -0.04 -1.26 -4.49 135.00 130.78 1rf4 n PRO 157 Ca -0.15 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 1rf4 n PRO 157 Cb 0.53 -2.08 -0.11 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.21 4.07 -0.25 0.52 1.10 -1.26 -4.81 121.20 118.37 1rf4 s ILE 158 Ca 0.65 -0.31 0.02 0.00 -0.51 0.00 0.00 60.65 60.50 1rf4 s ILE 158 Cb -0.27 -2.75 0.06 0.00 0.15 0.00 0.00 42.46 39.64 1rf4 s ILE 158 CO 0.59 0.54 -0.11 -1.00 -2.11 0.00 0.00 174.94 172.85 1rf4 s HIS 159 N -0.21 3.02 -0.21 3.50 3.76 -1.26 -0.58 115.29 123.32 1rf4 s HIS 159 Ca 0.04 -2.13 -0.17 0.00 -0.15 0.00 0.00 55.06 52.66 1rf4 s HIS 159 Cb -0.13 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.77 1rf4 s HIS 159 CO 0.02 -0.85 0.54 -0.47 -0.85 0.00 0.00 174.74 173.14 1rf4 s TYR 160 N 1.19 -0.67 -0.42 1.40 6.14 -0.77 -4.99 117.35 119.22 1rf4 s TYR 160 Ca -0.07 1.53 -0.14 0.00 0.64 0.00 0.00 57.07 59.03 1rf4 s TYR 160 Cb -0.19 0.28 0.05 0.00 0.42 0.00 0.00 41.96 42.52 1rf4 s TYR 160 CO -0.06 -0.33 0.31 -1.21 0.64 0.00 0.00 175.55 174.89 1rf4 s GLU 161 N 0.70 2.90 0.18 4.97 2.02 -1.26 -1.33 118.70 126.89 1rf4 s GLU 161 Ca -0.03 -1.19 -0.33 0.00 0.02 0.00 0.00 54.97 53.43 1rf4 s GLU 161 Cb -0.05 -3.96 -0.14 0.00 0.10 0.00 0.00 34.13 30.08 1rf4 s GLU 161 CO -0.05 -0.86 1.50 1.28 0.02 0.00 0.00 175.26 177.16 1rf4 n LEU 162 N 5.12 2.95 0.11 1.80 4.32 -0.05 -4.86 117.00 126.39 1rf4 n LEU 162 Ca -0.12 1.10 0.12 0.00 -0.02 0.00 0.00 56.01 57.10 1rf4 n LEU 162 Cb 0.45 -1.40 0.26 0.00 -1.62 0.00 0.00 43.42 41.11 1rf4 n LEU 162 CO 0.42 -0.42 0.63 1.55 -1.22 0.00 0.00 177.39 178.35 1rf4 h PRO 163 N 5.29 0.00 -5.41 3.23 0.13 -1.96 -3.35 132.00 129.93 1rf4 h PRO 163 Ca -0.45 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.27 1rf4 h PRO 163 Cb 1.27 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 1rf4 h PRO 163 CO 0.84 0.00 -0.74 0.96 -0.23 0.00 0.00 178.00 178.83 1rf4 s ILE 164 N -3.16 1.46 -1.48 -3.56 -4.36 -1.26 -5.00 121.20 103.85 1rf4 s ILE 164 Ca 0.08 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.35 1rf4 s ILE 164 Cb 0.11 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 42.02 1rf4 s ILE 164 CO 0.66 -0.57 2.43 0.00 0.24 0.00 0.00 174.94 177.71 1rf4 n ALA 165 N -0.01 6.28 -2.94 2.27 0.00 -1.26 -4.49 120.51 120.35 1rf4 n ALA 165 Ca -0.11 -3.84 -0.34 0.00 0.00 0.00 0.00 53.44 49.14 1rf4 n ALA 165 Cb 0.59 -3.35 -0.11 0.00 0.00 0.00 0.00 19.45 16.58 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 2.32 5.10 0.10 0.00 0.15 -1.26 -4.90 113.70 115.21 1rf4 s SER 166 Ca 0.54 -0.08 0.03 0.00 0.70 0.00 0.00 55.95 57.14 1rf4 s SER 166 Cb 0.15 -1.86 -0.24 0.00 -1.71 0.00 0.00 66.02 62.37 1rf4 s SER 166 CO -0.07 0.13 1.23 0.00 1.20 0.00 0.00 173.24 175.73 1rf4 h ALA 167 N 6.97 0.26 -0.05 5.45 0.00 -1.91 -3.12 119.26 126.86 1rf4 h ALA 167 Ca -0.34 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 53.66 1rf4 h ALA 167 Cb 1.18 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1rf4 h ALA 167 CO 0.64 1.16 0.02 1.96 0.00 0.00 0.00 179.25 183.03 1rf4 h GLN 168 N 0.03 0.08 -0.28 0.00 4.20 -1.94 0.04 115.11 117.24 1rf4 h GLN 168 Ca -0.05 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1rf4 h GLN 168 Cb 1.84 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.59 1rf4 h GLN 168 CO 0.16 0.24 0.15 0.28 -0.67 0.00 0.00 178.83 178.99 1rf4 h VAL 169 N -0.10 1.02 -0.37 -0.54 2.07 -1.93 -0.12 116.25 116.29 1rf4 h VAL 169 Ca 0.02 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1rf4 h VAL 169 Cb 0.19 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1rf4 h VAL 169 CO -0.00 0.06 -0.01 0.50 0.02 0.00 0.00 177.57 178.13 1rf4 h LYS 170 N 0.32 0.08 -0.28 1.57 3.64 -1.46 -1.48 116.57 118.97 1rf4 h LYS 170 Ca 0.11 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1rf4 h LYS 170 Cb 0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1rf4 h LYS 170 CO -0.06 0.05 0.14 0.77 -2.27 0.00 0.00 179.45 178.09 1rf4 h SER 171 N 0.08 0.36 -0.25 4.20 0.02 -0.64 -0.79 113.55 116.53 1rf4 h SER 171 Ca 0.18 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1rf4 h SER 171 Cb 0.25 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1rf4 h SER 171 CO -0.31 0.37 -0.20 0.00 -1.14 0.00 0.00 176.83 175.55 1rf4 h ALA 172 N 1.00 -0.04 -0.90 3.77 0.00 -0.58 -0.22 119.26 122.29 1rf4 h ALA 172 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1rf4 h ALA 172 Cb 0.10 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1rf4 h ALA 172 CO -0.01 -0.61 0.53 -0.07 0.00 0.00 0.00 179.25 179.09 1rf4 h LEU 173 N -0.19 1.09 -0.53 0.00 4.07 -1.08 -1.80 115.31 116.86 1rf4 h LEU 173 Ca 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1rf4 h LEU 173 Cb 0.40 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1rf4 h LEU 173 CO -0.36 0.84 0.30 0.24 -1.08 0.00 0.00 178.44 178.38 1rf4 h MET 174 N 1.24 0.74 -0.36 1.13 2.86 -0.13 0.30 114.93 120.71 1rf4 h MET 174 Ca 0.32 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1rf4 h MET 174 Cb -0.04 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1rf4 h MET 174 CO -0.06 0.56 0.02 0.74 1.06 0.00 0.00 176.91 179.23 1rf4 h PHE 175 N 0.71 0.58 -0.16 -0.22 0.05 -0.61 -2.11 116.94 115.17 1rf4 h PHE 175 Ca 0.19 -0.06 -0.19 0.00 3.82 0.00 0.00 57.97 61.73 1rf4 h PHE 175 Cb 0.03 -0.17 0.01 0.00 2.00 0.00 0.00 35.95 37.82 1rf4 h PHE 175 CO -0.02 0.55 -0.64 0.00 -0.18 0.00 0.00 178.31 178.03 1rf4 h ALA 176 N 1.49 0.30 -0.01 2.45 0.00 -0.81 -3.06 119.26 119.62 1rf4 h ALA 176 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1rf4 h ALA 176 Cb 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rf4 h ALA 176 CO 0.01 0.58 0.02 0.00 0.00 0.00 0.00 179.25 179.85 1rf4 h ALA 177 N 0.55 1.37 0.00 0.00 0.00 0.04 0.39 119.26 121.61 1rf4 h ALA 177 Ca -0.03 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1rf4 h ALA 177 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1rf4 h ALA 177 CO 0.13 -0.02 -0.22 -0.07 0.00 0.00 0.00 179.25 179.07 1rf4 h LEU 178 N 0.00 0.00 0.00 0.00 4.07 -1.28 -3.17 115.31 114.93 1rf4 h LEU 178 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1rf4 h LEU 178 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1rf4 h LEU 178 CO -0.00 0.22 -1.61 0.00 -1.08 0.00 0.00 178.44 175.97 1rf4 n GLN 179 N -3.34 0.50 -2.85 1.13 6.02 0.07 -1.56 117.38 117.36 1rf4 n GLN 179 Ca 0.01 -0.13 -0.33 0.00 -0.01 0.00 0.00 57.00 56.54 1rf4 n GLN 179 Cb 0.46 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.16 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 -3.28 3.12 -0.44 -1.58 0.00 -0.83 -4.71 121.76 114.05 1rf4 s ALA 180 Ca -0.02 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 1rf4 s ALA 180 Cb 0.14 -3.04 0.03 0.00 0.00 0.00 0.00 23.12 20.25 1rf4 s ALA 180 CO 0.86 0.13 0.51 0.15 0.00 0.00 0.00 175.76 177.41 1rf4 s LYS 181 N -3.27 3.14 0.00 0.00 1.02 -1.21 -2.26 119.74 117.16 1rf4 s LYS 181 Ca 0.59 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1rf4 s LYS 181 Cb -0.09 -3.98 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 1rf4 s LYS 181 CO 0.17 -0.94 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1rf4 n GLY 182 N 5.10 0.74 3.67 -3.33 0.00 -0.50 -4.42 105.19 106.46 1rf4 n GLY 182 Ca -0.06 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.28 4.08 0.03 1.61 2.12 -1.26 -1.21 118.70 122.79 1rf4 s GLU 183 Ca 0.00 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 55.09 1rf4 s GLU 183 Cb 0.00 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1rf4 s GLU 183 CO 0.00 0.15 -0.00 -1.12 -0.54 0.00 0.00 175.26 173.74 1rf4 s SER 184 N 0.80 5.06 -0.15 -1.70 0.01 -0.10 -4.58 113.70 113.04 1rf4 s SER 184 Ca 0.07 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 1rf4 s SER 184 Cb -0.13 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 64.87 1rf4 s SER 184 CO 0.02 0.24 -0.04 0.68 0.41 0.00 0.00 173.24 174.55 1rf4 s VAL 185 N -1.17 0.94 -0.22 3.43 -7.23 0.26 -0.99 120.40 115.42 1rf4 s VAL 185 Ca 0.22 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1rf4 s VAL 185 Cb -0.12 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 1rf4 s VAL 185 CO 0.13 0.17 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.42 1rf4 s ILE 186 N 1.71 3.42 -0.19 -0.62 1.01 0.16 -1.85 121.20 124.83 1rf4 s ILE 186 Ca 0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1rf4 s ILE 186 Cb -0.14 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 1rf4 s ILE 186 CO -0.08 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.60 1rf4 s ILE 187 N 1.41 3.33 0.40 2.92 1.01 -0.44 -0.20 121.20 129.62 1rf4 s ILE 187 Ca 0.05 -0.52 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 1rf4 s ILE 187 Cb -0.14 -2.48 -0.11 0.00 0.01 0.00 0.00 42.46 39.74 1rf4 s ILE 187 CO -0.02 0.45 0.94 -1.61 0.00 0.00 0.00 174.94 174.70 1rf4 s GLU 188 N 1.13 4.34 0.08 2.79 2.02 -0.46 -0.87 118.70 127.72 1rf4 s GLU 188 Ca 0.01 1.18 -0.07 0.00 0.02 0.00 0.00 54.97 56.11 1rf4 s GLU 188 Cb -0.15 -2.38 -0.25 0.00 0.10 0.00 0.00 34.13 31.46 1rf4 s GLU 188 CO -0.01 0.07 1.15 -0.22 0.02 0.00 0.00 175.26 176.27 1rf4 h LYS 189 N 2.31 0.38 -3.09 1.61 3.64 -1.79 -3.46 116.57 116.16 1rf4 h LYS 189 Ca -0.48 -0.57 -0.11 0.00 -1.27 0.00 0.00 60.65 58.22 1rf4 h LYS 189 Cb 1.18 0.20 -0.19 0.00 -0.41 0.00 0.00 32.23 33.01 1rf4 h LYS 189 CO 0.62 1.25 -0.27 -1.21 -2.27 0.00 0.00 179.45 177.57 1rf4 s GLU 190 N -2.81 0.70 0.09 1.90 0.41 -1.26 -5.02 118.70 112.72 1rf4 s GLU 190 Ca -0.06 -0.27 -0.31 0.00 -0.41 0.00 0.00 54.97 53.93 1rf4 s GLU 190 Cb 0.07 0.31 -0.09 0.00 -1.78 0.00 0.00 34.13 32.64 1rf4 s GLU 190 CO 0.90 -0.20 1.76 0.71 -0.49 0.00 0.00 175.26 177.93 1rf4 s TYR 191 N -1.63 2.22 0.38 1.61 1.51 -1.26 -4.86 117.35 115.32 1rf4 s TYR 191 Ca -0.11 0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.13 1rf4 s TYR 191 Cb -0.04 -4.09 -0.07 0.00 -0.11 0.00 0.00 41.96 37.65 1rf4 s TYR 191 CO 0.02 -4.46 -0.03 0.95 -1.11 0.00 0.00 175.55 170.92 1rf4 s THR 192 N 2.79 2.05 0.10 -0.71 -4.23 -1.26 -4.64 115.64 109.74 1rf4 s THR 192 Ca 0.78 -2.08 -0.36 0.00 -1.18 0.00 0.00 61.69 58.85 1rf4 s THR 192 Cb -0.43 -2.85 -0.17 0.00 1.34 0.00 0.00 72.50 70.39 1rf4 s THR 192 CO 0.35 -0.08 1.26 -2.11 -0.54 0.00 0.00 174.62 173.49 1rf4 n ARG 193 N -0.89 1.03 -1.36 3.99 0.00 -1.26 -4.87 116.66 113.31 1rf4 n ARG 193 Ca -0.05 0.37 -0.29 0.00 -0.00 0.00 0.00 57.85 57.88 1rf4 n ARG 193 Cb 0.66 -1.95 0.10 0.00 -0.00 0.00 0.00 32.46 31.26 1rf4 n ARG 193 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1rf4 n ASN 194 N 2.29 6.16 0.06 2.89 6.94 -1.26 -4.67 115.26 127.67 1rf4 n ASN 194 Ca 0.18 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.99 1rf4 n ASN 194 Cb 0.20 -0.84 0.31 0.00 -2.36 0.00 0.00 39.78 37.08 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 1.75 0.39 -0.31 -2.53 3.86 -1.98 -1.84 115.15 114.48 1rf4 h HIS 195 Ca 0.56 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.67 1rf4 h HIS 195 Cb 1.38 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1rf4 h HIS 195 CO 1.37 0.50 0.05 1.15 0.86 0.00 0.00 177.93 181.86 1rf4 h THR 196 N 0.34 1.23 -0.18 2.45 2.02 -1.96 -1.08 112.91 115.74 1rf4 h THR 196 Ca 0.06 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1rf4 h THR 196 Cb 0.47 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1rf4 h THR 196 CO 0.03 0.27 0.11 -0.33 0.37 0.00 0.00 175.52 175.97 1rf4 h GLU 197 N 0.34 0.23 0.01 6.66 3.07 -1.85 0.09 114.58 123.12 1rf4 h GLU 197 Ca 0.09 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1rf4 h GLU 197 Cb 0.34 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1rf4 h GLU 197 CO 0.01 0.16 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.27 1rf4 h ASP 198 N 0.23 -0.19 0.66 1.42 3.45 -1.25 -2.92 116.42 117.82 1rf4 h ASP 198 Ca 0.06 0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.46 1rf4 h ASP 198 Cb -0.02 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1rf4 h ASP 198 CO -0.01 -0.10 -0.42 0.24 -1.57 0.00 0.00 179.24 177.37 1rf4 h MET 199 N -0.12 0.00 -0.49 3.56 2.86 -1.10 -1.88 114.93 117.77 1rf4 h MET 199 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1rf4 h MET 199 Cb 0.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1rf4 h MET 199 CO -0.07 0.42 0.32 1.25 1.06 0.00 0.00 176.91 179.89 1rf4 h LEU 200 N 0.00 0.56 -0.57 1.22 5.85 -0.80 -0.68 115.31 120.90 1rf4 h LEU 200 Ca -0.00 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1rf4 h LEU 200 Cb 0.87 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1rf4 h LEU 200 CO 0.05 0.42 0.09 1.56 -0.34 0.00 0.00 178.44 180.23 1rf4 h GLN 201 N 0.66 0.95 -0.05 1.25 4.20 -1.32 0.52 115.11 121.31 1rf4 h GLN 201 Ca 0.18 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1rf4 h GLN 201 Cb -0.06 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 1rf4 h GLN 201 CO -0.04 0.90 0.04 0.37 -0.67 0.00 0.00 178.83 179.43 1rf4 h GLN 202 N 0.84 0.06 -0.72 1.46 4.15 -0.62 -0.81 115.11 119.47 1rf4 h GLN 202 Ca 0.17 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1rf4 h GLN 202 Cb 0.42 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1rf4 h GLN 202 CO 0.01 0.04 0.01 1.19 -1.93 0.00 0.00 178.83 178.15 1rf4 n PHE 203 N -4.53 1.45 -1.00 3.99 3.01 -0.33 -4.89 117.46 115.16 1rf4 n PHE 203 Ca -0.02 -0.52 -0.00 0.00 1.01 0.00 0.00 57.45 57.91 1rf4 n PHE 203 Cb 0.10 -0.40 -0.00 0.00 -0.01 0.00 0.00 39.48 39.17 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 0.40 0.46 3.96 1.37 0.00 -0.31 -1.23 105.19 109.84 1rf4 n GLY 204 Ca 0.20 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.02 1.76 0.05 -0.02 0.00 0.15 -4.91 107.32 102.31 1rf4 s GLY 205 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.34 1rf4 s GLY 205 CO 0.00 -0.79 -0.08 0.30 0.00 0.00 0.00 173.10 172.53 1rf4 s HIS 206 N -3.43 0.68 0.19 1.90 3.76 -1.26 -4.19 115.29 112.94 1rf4 s HIS 206 Ca 0.68 -0.54 -0.23 0.00 -0.15 0.00 0.00 55.06 54.83 1rf4 s HIS 206 Cb -0.06 -0.41 0.05 0.00 1.11 0.00 0.00 32.58 33.28 1rf4 s HIS 206 CO 0.47 -0.09 0.68 -0.48 -0.85 0.00 0.00 174.74 174.48 1rf4 s LEU 207 N -1.70 -0.42 -0.12 0.89 2.34 -1.26 -4.48 118.68 113.93 1rf4 s LEU 207 Ca -0.08 -0.24 0.03 0.00 0.06 0.00 0.00 54.13 53.90 1rf4 s LEU 207 Cb -0.09 2.58 0.01 0.00 -0.56 0.00 0.00 46.19 48.13 1rf4 s LEU 207 CO -0.00 -1.07 -0.21 -0.44 -1.06 0.00 0.00 176.35 173.57 1rf4 s SER 208 N -2.80 2.88 -0.26 1.48 0.01 0.32 -4.97 113.70 110.36 1rf4 s SER 208 Ca 0.05 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.76 1rf4 s SER 208 Cb -0.03 -1.32 0.03 0.00 0.21 0.00 0.00 66.02 64.91 1rf4 s SER 208 CO -0.05 0.09 -0.03 -0.69 0.41 0.00 0.00 173.24 172.97 1rf4 s VAL 209 N 0.70 3.06 -0.43 3.43 1.01 -1.26 -0.07 120.40 126.83 1rf4 s VAL 209 Ca -0.11 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.87 1rf4 s VAL 209 Cb -0.16 -2.59 0.12 0.00 0.00 0.00 0.00 36.38 33.75 1rf4 s VAL 209 CO 0.02 0.13 0.19 -0.62 0.00 0.00 0.00 175.10 174.82 1rf4 s ASP 210 N 1.34 4.22 1.71 3.32 2.15 0.68 -5.00 116.67 125.10 1rf4 s ASP 210 Ca -0.00 -2.57 0.00 0.00 0.43 0.00 0.00 52.55 50.41 1rf4 s ASP 210 Cb -0.17 -1.40 0.00 0.00 -0.30 0.00 0.00 42.92 41.05 1rf4 s ASP 210 CO -0.03 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 1rf4 n GLY 211 N 3.67 2.93 0.20 2.66 0.00 -1.26 -1.14 105.19 112.26 1rf4 n GLY 211 Ca 0.05 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 13.42 0.89 -3.14 1.61 5.02 -1.26 -4.83 118.16 129.87 1rf4 n LYS 212 Ca 0.00 -0.41 -0.40 0.00 -2.02 0.00 0.00 58.31 55.48 1rf4 n LYS 212 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.39 4.18 -0.19 1.97 2.20 -0.29 -1.36 119.74 123.85 1rf4 s LYS 213 Ca 0.30 0.56 -0.01 0.00 -0.36 0.00 0.00 55.97 56.45 1rf4 s LYS 213 Cb 0.20 -3.60 -0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1rf4 s LYS 213 CO 0.46 -0.28 -0.11 0.42 -0.36 0.00 0.00 175.35 175.48 1rf4 s ILE 214 N 2.05 2.86 -0.19 5.43 1.01 0.72 -0.23 121.20 132.85 1rf4 s ILE 214 Ca 0.27 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 1rf4 s ILE 214 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 1rf4 s ILE 214 CO 0.10 0.48 -0.03 -0.89 0.00 0.00 0.00 174.94 174.59 1rf4 s THR 215 N 1.19 3.67 -0.12 2.92 2.01 0.90 0.38 115.64 126.58 1rf4 s THR 215 Ca 0.02 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1rf4 s THR 215 Cb -0.14 -2.64 0.01 0.00 0.01 0.00 0.00 72.50 69.74 1rf4 s THR 215 CO -0.04 0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.46 1rf4 s VAL 216 N 0.95 1.78 -0.04 3.82 1.01 -0.17 -0.52 120.40 127.23 1rf4 s VAL 216 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 1rf4 s VAL 216 Cb -0.15 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 1rf4 s VAL 216 CO 0.01 0.50 0.45 -1.58 0.00 0.00 0.00 175.10 174.48 1rf4 s GLN 217 N 0.89 4.13 0.12 2.72 2.00 -1.26 -0.93 119.66 127.33 1rf4 s GLN 217 Ca -0.07 0.46 0.04 0.00 -2.00 0.00 0.00 55.36 53.79 1rf4 s GLN 217 Cb -0.15 -3.31 -0.04 0.00 0.80 0.00 0.00 33.01 30.31 1rf4 s GLN 217 CO -0.01 0.47 -0.11 0.20 -0.50 0.00 0.00 175.29 175.34 1rf4 s GLY 218 N -0.40 0.97 0.43 2.59 0.00 -0.35 -4.49 107.32 106.06 1rf4 s GLY 218 Ca 0.25 -1.34 -0.09 0.00 0.00 0.00 0.00 44.72 43.55 1rf4 s GLY 218 CO 0.13 -1.42 0.77 -4.14 0.00 0.00 0.00 173.10 168.43 1rf4 s PRO 219 N -3.21 3.70 0.23 2.90 0.02 -0.96 -1.41 135.00 136.27 1rf4 s PRO 219 Ca 0.11 0.37 0.09 0.00 0.02 0.00 0.00 61.00 61.59 1rf4 s PRO 219 Cb -0.01 -2.39 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 1rf4 s PRO 219 CO 0.01 -0.08 -0.16 -0.65 -0.33 0.00 0.00 177.00 175.78 1rf4 s GLN 220 N -4.12 1.45 -0.10 5.54 -0.21 -0.60 -5.02 119.66 116.60 1rf4 s GLN 220 Ca 0.50 -1.66 0.04 0.00 0.02 0.00 0.00 55.36 54.26 1rf4 s GLN 220 Cb -0.10 -1.33 -0.00 0.00 1.00 0.00 0.00 33.01 32.57 1rf4 s GLN 220 CO 0.36 0.23 -0.24 0.21 -2.12 0.00 0.00 175.29 173.73 1rf4 s LYS 221 N -3.60 2.99 0.31 2.91 2.20 -1.26 -4.92 119.74 118.37 1rf4 s LYS 221 Ca 0.25 -0.87 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 1rf4 s LYS 221 Cb -0.02 -2.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 1rf4 s LYS 221 CO 0.10 0.19 0.22 -0.51 -0.36 0.00 0.00 175.35 174.99 1rf4 s LEU 222 N 0.31 3.56 -0.03 5.43 1.43 -1.26 -4.71 118.68 123.40 1rf4 s LEU 222 Ca -0.18 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1rf4 s LEU 222 Cb -0.18 -2.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1rf4 s LEU 222 CO 0.09 -0.25 -0.25 -0.89 0.23 0.00 0.00 176.35 175.27 1rf4 s THR 223 N -2.29 2.02 0.50 5.49 2.01 -0.37 -0.70 115.64 122.30 1rf4 s THR 223 Ca 0.38 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 1rf4 s THR 223 Cb -0.06 -1.69 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 1rf4 s THR 223 CO 0.25 0.57 0.89 0.61 -0.69 0.00 0.00 174.62 176.25 1rf4 n GLY 224 N 2.61 -0.52 3.31 4.40 0.00 0.50 -4.69 105.19 110.79 1rf4 n GLY 224 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.23 1.49 -0.29 1.61 -1.52 -1.22 -4.86 119.66 112.63 1rf4 s GLN 225 Ca 0.68 -1.83 -0.09 0.00 -1.95 0.00 0.00 55.36 52.17 1rf4 s GLN 225 Cb -0.50 -0.06 -0.02 0.00 -0.22 0.00 0.00 33.01 32.21 1rf4 s GLN 225 CO 0.54 -0.41 0.14 0.21 -0.25 0.00 0.00 175.29 175.52 1rf4 s LYS 226 N -3.92 3.50 -0.19 2.91 2.20 -1.26 -1.13 119.74 121.85 1rf4 s LYS 226 Ca 0.37 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 55.35 1rf4 s LYS 226 Cb 0.06 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1rf4 s LYS 226 CO 0.16 -0.33 -0.06 0.08 -0.36 0.00 0.00 175.35 174.84 1rf4 s VAL 227 N 1.64 3.40 -0.32 4.02 1.01 0.89 -4.97 120.40 126.06 1rf4 s VAL 227 Ca 0.05 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1rf4 s VAL 227 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 1rf4 s VAL 227 CO 0.06 0.45 0.13 0.68 0.00 0.00 0.00 175.10 176.42 1rf4 s VAL 228 N 1.07 4.19 -0.16 2.92 -7.23 -1.26 -0.27 120.40 119.67 1rf4 s VAL 228 Ca 0.01 -0.75 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 1rf4 s VAL 228 Cb -0.15 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.56 1rf4 s VAL 228 CO -0.00 -0.04 0.96 -0.69 -0.31 0.00 0.00 175.10 175.02 1rf4 s VAL 229 N 1.52 4.79 0.66 1.32 1.01 -0.68 -4.98 120.40 124.03 1rf4 s VAL 229 Ca 0.02 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 63.79 1rf4 s VAL 229 Cb -0.18 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1rf4 s VAL 229 CO 0.04 -0.04 1.06 -2.16 0.00 0.00 0.00 175.10 174.00 1rf4 s PRO 230 N 2.37 3.26 0.65 2.72 0.04 -1.26 -4.77 135.00 138.01 1rf4 s PRO 230 Ca 0.44 0.65 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 1rf4 s PRO 230 Cb -0.17 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1rf4 s PRO 230 CO 0.13 -0.79 1.26 0.20 0.04 0.00 0.00 177.00 177.84 1rf4 s GLY 231 N -4.22 2.75 -0.26 0.56 0.00 0.13 -0.88 107.32 105.40 1rf4 s GLY 231 Ca 0.56 1.12 -0.27 0.00 0.00 0.00 0.00 44.72 46.14 1rf4 s GLY 231 CO 0.53 1.54 0.93 -0.35 0.00 0.00 0.00 173.10 175.75 1rf4 s ASP 232 N -1.54 6.92 0.35 1.64 3.68 0.13 -0.35 116.67 127.50 1rf4 s ASP 232 Ca 0.80 1.11 0.04 0.00 2.13 0.00 0.00 52.55 56.63 1rf4 s ASP 232 Cb -0.35 -2.48 0.64 0.00 -1.45 0.00 0.00 42.92 39.28 1rf4 s ASP 232 CO 0.39 -0.64 1.92 0.40 0.13 0.00 0.00 175.17 177.37 1rf4 h ILE 233 N 5.50 1.18 0.00 4.11 5.03 -1.91 -0.29 117.51 131.14 1rf4 h ILE 233 Ca -0.21 -0.64 -0.02 0.00 -0.12 0.00 0.00 64.86 63.86 1rf4 h ILE 233 Cb 1.08 0.80 -0.00 0.00 -3.03 0.00 0.00 36.82 35.66 1rf4 h ILE 233 CO 0.93 0.23 -0.12 0.28 -0.68 0.00 0.00 178.15 178.80 1rf4 h SER 234 N 0.55 0.00 0.28 1.72 0.02 -1.91 0.85 113.55 115.07 1rf4 h SER 234 Ca 0.13 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.87 1rf4 h SER 234 Cb 0.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1rf4 h SER 234 CO -0.00 0.12 -1.91 -1.54 -1.14 0.00 0.00 176.83 172.35 1rf4 n SER 235 N -3.42 0.36 0.23 3.07 3.41 -0.71 -3.81 113.62 112.75 1rf4 n SER 235 Ca -0.01 0.16 0.11 0.00 -0.26 0.00 0.00 58.87 58.87 1rf4 n SER 235 Cb 0.29 0.86 0.54 0.00 -0.26 0.00 0.00 64.21 65.65 1rf4 n SER 235 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf4 h ALA 236 N 1.38 1.09 -0.47 7.33 0.00 -0.55 -2.89 119.26 125.14 1rf4 h ALA 236 Ca -0.27 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1rf4 h ALA 236 Cb 1.72 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1rf4 h ALA 236 CO 0.03 0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.84 1rf4 h ALA 237 N 1.81 1.77 -0.19 0.00 0.00 -0.94 -0.50 119.26 121.20 1rf4 h ALA 237 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1rf4 h ALA 237 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1rf4 h ALA 237 CO 0.03 0.18 -0.14 0.74 0.00 0.00 0.00 179.25 180.06 1rf4 h PHE 238 N 0.54 0.32 0.12 0.00 -1.00 -1.71 -1.92 116.94 113.30 1rf4 h PHE 238 Ca 0.19 -0.04 -0.29 0.00 2.81 0.00 0.00 57.97 60.63 1rf4 h PHE 238 Cb 0.07 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.54 1rf4 h PHE 238 CO -0.00 0.44 -1.42 -1.49 -1.61 0.00 0.00 178.31 174.23 1rf4 h TRP 239 N 0.29 0.47 -0.16 -0.55 -0.00 -1.50 -2.19 115.95 112.31 1rf4 h TRP 239 Ca 0.06 -0.34 0.04 0.00 -0.00 0.00 0.00 58.89 58.64 1rf4 h TRP 239 Cb 0.42 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.16 29.53 1rf4 h TRP 239 CO 0.01 1.34 -0.06 -0.07 -0.00 0.00 0.00 178.44 179.65 1rf4 h LEU 240 N 0.07 -0.22 -0.29 -4.49 3.38 -0.83 -0.40 115.31 112.53 1rf4 h LEU 240 Ca -0.20 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 1rf4 h LEU 240 Cb 2.00 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.87 1rf4 h LEU 240 CO 0.18 -0.09 0.03 0.58 0.09 0.00 0.00 178.44 179.24 1rf4 h VAL 241 N -0.04 1.24 -0.66 1.22 2.07 -1.45 -2.98 116.25 115.65 1rf4 h VAL 241 Ca 0.08 -0.84 0.11 0.00 0.82 0.00 0.00 66.70 66.87 1rf4 h VAL 241 Cb 0.17 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.08 1rf4 h VAL 241 CO -0.19 0.27 0.26 0.00 0.02 0.00 0.00 177.57 177.94 1rf4 h ALA 242 N 0.86 0.88 -0.01 1.67 0.00 -0.98 0.15 119.26 121.82 1rf4 h ALA 242 Ca 0.09 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1rf4 h ALA 242 Cb 0.37 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rf4 h ALA 242 CO 0.01 -0.18 -0.45 0.78 0.00 0.00 0.00 179.25 179.41 1rf4 h GLY 243 N 0.44 0.04 1.94 0.00 0.00 -1.07 0.30 103.07 104.72 1rf4 h GLY 243 Ca 0.34 -0.03 -0.20 0.00 0.00 0.00 0.00 47.33 47.44 1rf4 h GLY 243 CO -0.33 0.03 -0.95 1.41 0.00 0.00 0.00 176.54 176.71 1rf4 h LEU 244 N 0.03 0.06 0.12 3.11 3.38 -1.17 -1.83 115.31 119.00 1rf4 h LEU 244 Ca -0.00 -0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.57 1rf4 h LEU 244 Cb 0.81 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1rf4 h LEU 244 CO 0.06 0.97 -1.82 0.40 0.09 0.00 0.00 178.44 178.14 1rf4 h ILE 245 N 0.02 0.74 -4.29 1.22 5.03 -0.48 -2.19 117.51 117.56 1rf4 h ILE 245 Ca -0.02 -2.35 -0.51 0.00 -0.12 0.00 0.00 64.86 61.86 1rf4 h ILE 245 Cb 1.65 2.52 0.09 0.00 -3.03 0.00 0.00 36.82 38.05 1rf4 h ILE 245 CO 0.13 0.80 0.36 0.00 -0.68 0.00 0.00 178.15 178.76 1rf4 s ALA 246 N -2.53 2.60 0.69 1.87 0.00 0.10 -4.96 121.76 119.53 1rf4 s ALA 246 Ca -0.22 0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1rf4 s ALA 246 Cb 0.06 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.98 1rf4 s ALA 246 CO 0.76 -1.23 1.07 -1.25 0.00 0.00 0.00 175.76 175.11 1rf4 s PRO 247 N -4.72 2.88 -0.95 0.00 0.04 -1.26 -4.24 135.00 126.75 1rf4 s PRO 247 Ca 0.61 0.41 -0.16 0.00 0.04 0.00 0.00 61.00 61.90 1rf4 s PRO 247 Cb -0.15 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1rf4 s PRO 247 CO 0.50 -0.98 0.29 0.09 0.04 0.00 0.00 177.00 176.94 1rf4 n ASN 248 N -2.95 -1.51 -4.23 6.66 3.02 -1.26 -4.06 115.26 110.93 1rf4 n ASN 248 Ca 0.07 -0.92 -0.21 0.00 -0.03 0.00 0.00 54.58 53.48 1rf4 n ASN 248 Cb 0.57 -1.11 -0.12 0.00 -0.61 0.00 0.00 39.78 38.50 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 -3.97 2.13 -0.25 6.41 0.01 -1.26 -3.57 113.70 113.20 1rf4 s SER 249 Ca 0.22 -0.65 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 1rf4 s SER 249 Cb -0.12 -0.10 0.13 0.00 0.21 0.00 0.00 66.02 66.14 1rf4 s SER 249 CO 0.70 -0.00 0.46 -0.60 0.41 0.00 0.00 173.24 174.20 1rf4 s ARG 250 N -1.81 0.41 0.02 12.44 3.52 -0.28 -1.66 118.95 131.59 1rf4 s ARG 250 Ca 0.02 0.85 0.07 0.00 -0.13 0.00 0.00 55.73 56.54 1rf4 s ARG 250 Cb -0.10 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.33 1rf4 s ARG 250 CO 0.03 -0.49 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.34 1rf4 s LEU 251 N 2.66 2.57 -0.21 -0.88 1.43 -0.11 -3.41 118.68 120.73 1rf4 s LEU 251 Ca 0.09 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1rf4 s LEU 251 Cb -0.14 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.62 1rf4 s LEU 251 CO -0.16 0.27 -0.12 0.54 0.23 0.00 0.00 176.35 177.11 1rf4 s VAL 252 N -0.87 1.81 -0.37 -1.59 0.11 -0.65 -1.56 120.40 117.28 1rf4 s VAL 252 Ca 0.14 -1.13 -0.08 0.00 -2.93 0.00 0.00 61.98 57.97 1rf4 s VAL 252 Cb -0.10 -1.85 0.05 0.00 -1.53 0.00 0.00 36.38 32.94 1rf4 s VAL 252 CO 0.04 0.18 0.17 -0.76 -3.33 0.00 0.00 175.10 171.40 1rf4 s LEU 253 N 1.32 4.67 0.32 2.54 2.01 0.30 -0.99 118.68 128.85 1rf4 s LEU 253 Ca -0.02 -1.22 -0.03 0.00 0.01 0.00 0.00 54.13 52.87 1rf4 s LEU 253 Cb -0.17 -1.94 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 1rf4 s LEU 253 CO -0.08 -0.40 0.56 -1.10 1.01 0.00 0.00 176.35 176.34 1rf4 s GLN 254 N 1.44 3.58 -1.36 1.70 -0.21 -0.70 -0.71 119.66 123.40 1rf4 s GLN 254 Ca 0.01 -0.09 -0.07 0.00 0.02 0.00 0.00 55.36 55.22 1rf4 s GLN 254 Cb -0.20 -2.64 0.02 0.00 1.00 0.00 0.00 33.01 31.19 1rf4 s GLN 254 CO 0.03 0.17 1.08 -1.71 -2.12 0.00 0.00 175.29 172.75 1rf4 n ASN 255 N -1.26 -4.90 -4.75 5.90 5.15 -1.20 -4.26 115.26 109.95 1rf4 n ASN 255 Ca -0.02 -0.62 -0.36 0.00 -0.60 0.00 0.00 54.58 52.97 1rf4 n ASN 255 Cb 0.55 -4.78 -0.07 0.00 -0.53 0.00 0.00 39.78 34.94 1rf4 n ASN 255 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1rf4 s VAL 256 N -3.35 5.30 0.33 3.44 -7.23 -0.55 0.17 120.40 118.51 1rf4 s VAL 256 Ca 0.45 0.53 -0.28 0.00 -1.81 0.00 0.00 61.98 60.86 1rf4 s VAL 256 Cb -0.20 -3.61 -0.13 0.00 0.56 0.00 0.00 36.38 33.00 1rf4 s VAL 256 CO 0.75 0.43 1.24 0.61 -0.31 0.00 0.00 175.10 177.82 1rf4 n GLY 257 N 3.13 0.42 0.23 2.32 0.00 0.53 -1.86 105.19 109.97 1rf4 n GLY 257 Ca -0.13 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.30 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 0.36 1.67 -1.67 -0.61 0.13 0.15 -4.54 119.36 114.86 1rf4 n ILE 258 Ca 0.06 -2.12 -0.47 0.00 -1.10 0.00 0.00 62.75 59.12 1rf4 n ILE 258 Cb 0.35 -0.12 -0.04 0.00 -0.84 0.00 0.00 39.64 38.98 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 -1.18 3.26 0.31 9.51 2.85 -1.26 -4.81 115.26 123.94 1rf4 n ASN 259 Ca 0.14 1.03 0.19 0.00 -0.11 0.00 0.00 54.58 55.83 1rf4 n ASN 259 Cb 0.67 -1.40 0.98 0.00 1.24 0.00 0.00 39.78 41.26 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 7.45 0.00 -0.00 1.20 9.09 -1.97 0.14 114.58 130.49 1rf4 h GLU 260 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 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 0.92 0.00 -0.01 0.25 0.05 0.00 0.00 179.01 180.22 1rf4 n THR 261 N -3.15 0.00 -0.14 -1.06 -2.24 -1.26 -3.68 114.28 102.74 1rf4 n THR 261 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1rf4 n THR 261 Cb 0.25 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.78 2.17 -0.57 -0.78 5.12 0.44 -4.07 116.66 118.21 1rf4 n ARG 262 Ca 0.22 -0.17 -0.07 0.00 -1.93 0.00 0.00 57.85 55.90 1rf4 n ARG 262 Cb 0.18 -0.60 0.13 0.00 -1.16 0.00 0.00 32.46 31.01 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 -0.36 1.88 -0.16 0.55 -2.24 -1.02 -4.58 114.28 108.35 1rf4 n THR 263 Ca 0.00 -0.89 0.11 0.00 -2.27 0.00 0.00 64.05 61.00 1rf4 n THR 263 Cb 0.04 -0.61 0.43 0.00 -2.10 0.00 0.00 70.33 68.09 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 3.17 0.83 2.00 3.38 0.00 -1.48 -1.60 103.07 109.38 1rf4 h GLY 264 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1rf4 h GLY 264 CO 0.46 0.13 -0.11 1.19 0.00 0.00 0.00 176.54 178.21 1rf4 h ILE 265 N 0.57 0.54 -0.06 2.60 2.10 -1.81 -2.42 117.51 119.03 1rf4 h ILE 265 Ca 0.33 -0.51 -0.01 0.00 1.08 0.00 0.00 64.86 65.75 1rf4 h ILE 265 Cb 0.52 1.33 -0.00 0.00 -1.09 0.00 0.00 36.82 37.59 1rf4 h ILE 265 CO -0.11 0.11 -0.02 0.40 -1.08 0.00 0.00 178.15 177.44 1rf4 h ILE 266 N 0.00 1.31 -0.77 2.19 2.04 -1.65 -0.15 117.51 120.47 1rf4 h ILE 266 Ca -0.00 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.94 1rf4 h ILE 266 Cb 0.32 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 1rf4 h ILE 266 CO 0.01 0.27 0.47 0.44 0.00 0.00 0.00 178.15 179.34 1rf4 h ASP 267 N -0.25 0.74 -0.12 1.72 3.32 -1.51 -0.96 116.42 119.37 1rf4 h ASP 267 Ca 0.01 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1rf4 h ASP 267 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1rf4 h ASP 267 CO 0.01 0.49 0.05 0.58 -1.72 0.00 0.00 179.24 178.64 1rf4 h VAL 268 N 0.88 1.13 -0.50 -1.35 2.07 -1.34 -0.04 116.25 117.11 1rf4 h VAL 268 Ca 0.33 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.51 1rf4 h VAL 268 Cb 0.13 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1rf4 h VAL 268 CO -0.16 0.12 0.21 0.40 0.02 0.00 0.00 177.57 178.16 1rf4 h ILE 269 N 0.05 0.88 -0.54 4.57 2.04 -0.47 0.41 117.51 124.45 1rf4 h ILE 269 Ca 0.04 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1rf4 h ILE 269 Cb 0.15 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1rf4 h ILE 269 CO -0.00 0.07 0.01 0.03 0.00 0.00 0.00 178.15 178.26 1rf4 h ARG 270 N 0.41 0.92 -0.05 2.37 3.08 -1.04 -0.11 114.38 119.94 1rf4 h ARG 270 Ca 0.23 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1rf4 h ARG 270 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1rf4 h ARG 270 CO -0.21 0.90 -0.31 0.00 -1.07 0.00 0.00 179.97 179.29 1rf4 h ALA 271 N 1.15 1.38 -0.05 0.04 0.00 -0.13 -2.39 119.26 119.27 1rf4 h ALA 271 Ca 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1rf4 h ALA 271 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1rf4 h ALA 271 CO 0.02 0.45 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 1rf4 n MET 272 N -4.14 1.45 -0.89 0.00 2.81 0.05 -4.88 117.12 111.52 1rf4 n MET 272 Ca -0.02 -0.66 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1rf4 n MET 272 Cb 0.38 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 1.08 0.51 3.77 3.03 0.00 -0.90 -1.08 105.19 111.59 1rf4 n GLY 273 Ca 0.19 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.40 2.83 -0.85 -0.02 0.00 -0.09 -4.72 107.32 102.06 1rf4 s GLY 274 Ca 0.00 0.88 -0.25 0.00 0.00 0.00 0.00 44.72 45.35 1rf4 s GLY 274 CO 0.00 1.37 1.42 0.54 0.00 0.00 0.00 173.10 176.43 1rf4 s LYS 275 N -2.37 3.28 -0.13 2.90 1.02 -1.26 -4.62 119.74 118.56 1rf4 s LYS 275 Ca 0.57 -0.55 0.03 0.00 0.02 0.00 0.00 55.97 56.05 1rf4 s LYS 275 Cb -0.28 -4.72 0.01 0.00 -0.52 0.00 0.00 37.83 32.32 1rf4 s LYS 275 CO 0.35 -2.28 -0.22 -1.17 -0.92 0.00 0.00 175.35 171.10 1rf4 s LEU 276 N 5.89 2.10 -0.09 3.17 2.96 -1.26 -2.73 118.68 128.72 1rf4 s LEU 276 Ca 0.43 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1rf4 s LEU 276 Cb -0.05 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1rf4 s LEU 276 CO 0.04 0.10 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.30 1rf4 s GLU 277 N 0.71 2.94 -0.28 1.98 2.12 0.50 -4.97 118.70 121.70 1rf4 s GLU 277 Ca -0.10 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.48 1rf4 s GLU 277 Cb -0.16 -2.42 0.06 0.00 0.26 0.00 0.00 34.13 31.87 1rf4 s GLU 277 CO 0.01 0.35 -0.07 0.42 -0.54 0.00 0.00 175.26 175.43 1rf4 s ILE 278 N -0.03 2.45 0.40 -3.70 1.01 -1.26 -0.08 121.20 119.99 1rf4 s ILE 278 Ca -0.05 -1.59 0.01 0.00 0.00 0.00 0.00 60.65 59.02 1rf4 s ILE 278 Cb -0.14 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 1rf4 s ILE 278 CO 0.04 -0.08 0.03 0.35 0.00 0.00 0.00 174.94 175.28 1rf4 n THR 279 N 4.49 0.00 -4.00 2.92 -2.24 -0.50 -4.85 114.28 110.09 1rf4 n THR 279 Ca -0.13 -1.98 -0.27 0.00 -2.27 0.00 0.00 64.05 59.40 1rf4 n THR 279 Cb 0.42 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.98 -2.69 -2.36 -0.78 -0.58 -1.26 -1.03 120.64 110.96 1rf4 n GLU 280 Ca -0.14 0.35 -0.43 0.00 -0.42 0.00 0.00 57.16 56.51 1rf4 n GLU 280 Cb 0.53 -4.29 -0.02 0.00 -0.57 0.00 0.00 31.44 27.09 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 3.95 -0.64 -3.67 1.01 -1.26 -4.07 121.20 112.54 1rf4 s ILE 281 Ca 0.04 1.00 -0.19 0.00 0.00 0.00 0.00 60.65 61.51 1rf4 s ILE 281 Cb -0.02 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.39 1rf4 s ILE 281 CO 0.91 -0.68 0.75 -0.62 0.00 0.00 0.00 174.94 175.29 1rf4 s ASP 282 N 3.68 6.26 0.57 3.58 -1.08 0.19 -4.92 116.67 124.95 1rf4 s ASP 282 Ca 0.60 -1.57 0.28 0.00 -0.52 0.00 0.00 52.55 51.34 1rf4 s ASP 282 Cb -0.15 -2.30 1.50 0.00 -1.46 0.00 0.00 42.92 40.51 1rf4 s ASP 282 CO 0.30 -1.08 1.98 1.55 0.52 0.00 0.00 175.17 178.45 1rf4 h PRO 283 N 9.06 0.00 0.00 4.34 0.13 -1.93 -1.45 132.00 142.14 1rf4 h PRO 283 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1rf4 h PRO 283 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1rf4 h PRO 283 CO 1.08 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 179.13 1rf4 n VAL 284 N -3.98 0.00 0.55 1.56 0.31 -1.26 -3.83 118.33 111.68 1rf4 n VAL 284 Ca 0.07 0.56 0.04 0.00 -0.01 0.00 0.00 64.34 65.01 1rf4 n VAL 284 Cb 0.57 -1.20 0.22 0.00 -0.91 0.00 0.00 33.84 32.52 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 -1.06 1.82 -3.54 3.52 0.00 -1.23 -4.84 120.51 115.18 1rf4 n ALA 285 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 53.44 53.13 1rf4 n ALA 285 Cb 0.00 -1.12 0.05 0.00 0.00 0.00 0.00 19.45 18.38 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 -0.92 -1.61 -4.23 0.00 5.02 -0.57 -4.76 118.16 111.08 1rf4 n LYS 286 Ca 0.06 0.59 -0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1rf4 n LYS 286 Cb 0.03 -4.68 -0.10 0.00 -0.02 0.00 0.00 35.03 30.25 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 -3.46 0.66 0.09 4.39 1.04 -1.06 0.32 113.70 115.68 1rf4 s SER 287 Ca 0.46 -1.31 -0.27 0.00 0.48 0.00 0.00 55.95 55.31 1rf4 s SER 287 Cb -0.13 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.33 1rf4 s SER 287 CO 0.82 -0.74 1.01 0.00 0.98 0.00 0.00 173.24 175.31 1rf4 s ALA 288 N -3.94 -1.79 -0.18 5.32 0.00 -0.77 -0.64 121.76 119.76 1rf4 s ALA 288 Ca 0.33 0.38 -0.07 0.00 0.00 0.00 0.00 51.96 52.61 1rf4 s ALA 288 Cb 0.07 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1rf4 s ALA 288 CO 0.09 -0.98 0.05 0.95 0.00 0.00 0.00 175.76 175.86 1rf4 s THR 289 N -3.09 4.63 -0.13 0.00 -4.23 -0.20 -1.48 115.64 111.14 1rf4 s THR 289 Ca 0.11 -0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.50 1rf4 s THR 289 Cb -0.00 -3.08 -0.03 0.00 1.34 0.00 0.00 72.50 70.72 1rf4 s THR 289 CO -0.01 0.46 -0.00 -0.76 -0.54 0.00 0.00 174.62 173.77 1rf4 s LEU 290 N 0.44 3.50 -0.14 4.79 1.02 0.11 -1.41 118.68 126.99 1rf4 s LEU 290 Ca 0.02 0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.21 1rf4 s LEU 290 Cb -0.13 -1.83 0.02 0.00 0.02 0.00 0.00 46.19 44.27 1rf4 s LEU 290 CO 0.01 0.26 -0.17 -0.63 0.02 0.00 0.00 176.35 175.84 1rf4 s ILE 291 N -0.15 1.70 0.07 -0.59 1.01 0.89 -0.54 121.20 123.59 1rf4 s ILE 291 Ca 0.04 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.04 1rf4 s ILE 291 Cb -0.13 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1rf4 s ILE 291 CO 0.02 0.48 -0.21 0.54 0.00 0.00 0.00 174.94 175.77 1rf4 s VAL 292 N 1.20 2.62 0.07 2.92 0.11 -0.60 -0.37 120.40 126.35 1rf4 s VAL 292 Ca -0.00 -1.36 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 1rf4 s VAL 292 Cb -0.14 -2.12 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 1rf4 s VAL 292 CO -0.07 0.26 -0.11 -1.61 -3.33 0.00 0.00 175.10 170.24 1rf4 s GLU 293 N -1.64 0.74 -0.10 1.54 2.02 -1.11 -0.93 118.70 119.23 1rf4 s GLU 293 Ca 0.15 -0.97 -0.38 0.00 0.02 0.00 0.00 54.97 53.79 1rf4 s GLU 293 Cb -0.10 -0.56 -0.16 0.00 0.10 0.00 0.00 34.13 33.41 1rf4 s GLU 293 CO 0.06 0.11 1.57 0.43 0.02 0.00 0.00 175.26 177.44 1rf4 n SER 294 N 1.08 2.11 -4.22 -0.19 7.64 -0.67 -4.24 113.62 115.14 1rf4 n SER 294 Ca -0.20 1.09 -0.13 0.00 1.01 0.00 0.00 58.87 60.64 1rf4 n SER 294 Cb 0.56 -1.18 -0.10 0.00 -1.01 0.00 0.00 64.21 62.48 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 2.16 1.49 -0.28 6.43 0.01 -0.82 -4.89 113.70 117.79 1rf4 s SER 295 Ca 0.92 -1.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 1rf4 s SER 295 Cb -1.00 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.23 1rf4 s SER 295 CO 0.56 -0.41 0.19 -1.81 0.41 0.00 0.00 173.24 172.18 1rf4 s ASP 296 N -3.13 6.04 0.20 2.44 -0.00 -1.26 -4.79 116.67 116.16 1rf4 s ASP 296 Ca 0.16 0.01 0.05 0.00 -0.00 0.00 0.00 52.55 52.77 1rf4 s ASP 296 Cb 0.04 -2.12 -0.04 0.00 -0.00 0.00 0.00 42.92 40.80 1rf4 s ASP 296 CO -0.01 -0.05 0.21 -0.76 -0.00 0.00 0.00 175.17 174.56 1rf4 s LEU 297 N 1.72 3.96 0.05 1.23 2.01 -1.26 -4.70 118.68 121.69 1rf4 s LEU 297 Ca 0.07 -0.09 0.08 0.00 0.01 0.00 0.00 54.13 54.21 1rf4 s LEU 297 Cb -0.16 -2.54 -0.03 0.00 0.01 0.00 0.00 46.19 43.48 1rf4 s LEU 297 CO 0.10 0.02 -0.23 -0.54 1.01 0.00 0.00 176.35 176.71 1rf4 s LYS 298 N -3.45 1.54 0.92 1.70 3.01 -0.24 -0.15 119.74 123.07 1rf4 s LYS 298 Ca 0.32 -1.04 -0.10 0.00 -1.01 0.00 0.00 55.97 54.14 1rf4 s LYS 298 Cb -0.09 -1.71 0.15 0.00 -1.01 0.00 0.00 37.83 35.16 1rf4 s LYS 298 CO 0.25 0.44 1.13 0.20 0.51 0.00 0.00 175.35 177.88 1rf4 s GLY 299 N -1.27 1.68 0.28 -3.33 0.00 -0.91 -4.36 107.32 99.40 1rf4 s GLY 299 Ca 0.09 0.50 -0.10 0.00 0.00 0.00 0.00 44.72 45.22 1rf4 s GLY 299 CO 0.02 0.93 0.49 -1.08 0.00 0.00 0.00 173.10 173.47 1rf4 s THR 300 N -2.66 0.00 -0.14 0.90 -1.32 -1.19 -4.85 115.64 106.37 1rf4 s THR 300 Ca 0.66 -1.45 -0.04 0.00 -1.21 0.00 0.00 61.69 59.66 1rf4 s THR 300 Cb -0.22 -2.38 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1rf4 s THR 300 CO 0.58 0.00 0.01 -0.70 -2.21 0.00 0.00 174.62 172.30 1rf4 s GLU 301 N -3.65 3.51 -0.27 7.08 2.12 -1.26 -1.47 118.70 124.75 1rf4 s GLU 301 Ca 0.25 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 55.17 1rf4 s GLU 301 Cb -0.01 -2.96 0.07 0.00 0.26 0.00 0.00 34.13 31.50 1rf4 s GLU 301 CO 0.12 0.43 -0.02 0.42 -0.54 0.00 0.00 175.26 175.67 1rf4 s ILE 302 N -0.12 1.72 0.24 -3.70 1.01 0.16 -4.95 121.20 115.57 1rf4 s ILE 302 Ca 0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.13 1rf4 s ILE 302 Cb -0.13 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1rf4 s ILE 302 CO 0.02 -0.27 0.32 0.00 0.00 0.00 0.00 174.94 175.01 1rf4 n GLY 304 N -0.41 0.00 4.77 0.00 0.00 -1.26 -2.64 105.19 105.66 1rf4 n GLY 304 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.14 4.61 0.00 -1.26 -4.32 120.51 119.68 1rf4 n ALA 305 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rf4 n ALA 305 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -0.10 0.00 5.85 -1.91 -3.35 115.31 115.81 1rf4 h LEU 306 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1rf4 h LEU 306 Cb 0.00 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1rf4 h LEU 306 CO 0.00 0.58 -0.45 0.40 -0.34 0.00 0.00 178.44 178.62 1rf4 h ILE 307 N 0.00 0.10 0.00 4.05 1.08 -1.75 -1.60 117.51 119.39 1rf4 h ILE 307 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1rf4 h ILE 307 Cb 1.10 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1rf4 h ILE 307 CO 0.07 0.00 0.00 1.55 -0.69 0.00 0.00 178.15 179.08 1rf4 h PRO 308 N -0.54 0.00 -0.01 2.37 0.13 -1.85 0.19 132.00 132.29 1rf4 h PRO 308 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1rf4 h PRO 308 Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1rf4 h PRO 308 CO -0.39 0.00 -0.02 0.54 -0.23 0.00 0.00 178.00 177.90 1rf4 n ARG 309 N -2.74 1.19 -0.51 0.86 1.74 -0.61 -4.20 116.66 112.39 1rf4 n ARG 309 Ca -0.01 -0.39 -0.00 0.00 -0.77 0.00 0.00 57.85 56.68 1rf4 n ARG 309 Cb 0.12 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 -0.57 -0.01 -0.28 0.55 -0.00 -0.48 -1.32 117.00 114.88 1rf4 n LEU 310 Ca 0.21 -1.01 0.10 0.00 -0.00 0.00 0.00 56.01 55.30 1rf4 n LEU 310 Cb 0.23 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 43.89 1rf4 n LEU 310 CO 0.18 0.95 0.96 0.16 -0.00 0.00 0.00 177.39 179.64 1rf4 h ILE 311 N 5.15 0.43 0.00 1.47 -0.00 -0.85 0.25 117.51 123.95 1rf4 h ILE 311 Ca -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 1rf4 h ILE 311 Cb 1.04 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.99 1rf4 h ILE 311 CO -0.00 0.05 0.00 0.47 -0.00 0.00 0.00 178.15 178.67 1rf4 n ASP 312 N -5.17 0.46 -0.79 2.16 8.00 -1.26 -2.75 116.55 117.21 1rf4 n ASP 312 Ca 0.18 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.38 1rf4 n ASP 312 Cb 0.58 -0.69 0.30 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.97 2.06 0.12 -1.24 4.71 0.86 -4.31 120.64 120.86 1rf4 n GLU 313 Ca 0.04 -1.57 0.00 0.00 -0.01 0.00 0.00 57.16 55.63 1rf4 n GLU 313 Cb 0.29 -1.46 0.31 0.00 -1.01 0.00 0.00 31.44 29.57 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 3.41 0.18 0.13 -4.62 3.38 -1.34 -0.90 115.31 115.55 1rf4 h LEU 314 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1rf4 h LEU 314 Cb 0.74 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1rf4 h LEU 314 CO 0.00 0.49 -0.06 -0.65 0.09 0.00 0.00 178.44 178.31 1rf4 h PRO 315 N 0.16 -0.17 -0.01 1.13 0.11 -1.82 -0.77 132.00 130.64 1rf4 h PRO 315 Ca 0.02 0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.03 1rf4 h PRO 315 Cb 0.64 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1rf4 h PRO 315 CO 0.05 0.04 -0.51 -0.84 -0.21 0.00 0.00 178.00 176.53 1rf4 h ILE 316 N -0.36 1.37 -0.24 4.15 3.07 -1.84 -2.32 117.51 121.33 1rf4 h ILE 316 Ca -0.02 -1.75 -0.08 0.00 1.55 0.00 0.00 64.86 64.56 1rf4 h ILE 316 Cb 0.29 1.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.76 1rf4 h ILE 316 CO 0.03 0.50 -0.18 0.40 -1.05 0.00 0.00 178.15 177.85 1rf4 h ILE 317 N 0.02 1.24 -0.47 0.16 2.04 -1.08 0.13 117.51 119.55 1rf4 h ILE 317 Ca -0.00 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1rf4 h ILE 317 Cb 0.91 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1rf4 h ILE 317 CO 0.07 0.34 0.29 0.00 0.00 0.00 0.00 178.15 178.85 1rf4 h ALA 318 N 1.43 0.60 -0.55 1.87 0.00 -0.58 0.53 119.26 122.56 1rf4 h ALA 318 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1rf4 h ALA 318 Cb 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1rf4 h ALA 318 CO 0.04 0.08 0.28 1.25 0.00 0.00 0.00 179.25 180.90 1rf4 h LEU 319 N 0.63 0.70 -0.32 0.00 6.46 -1.14 -0.69 115.31 120.97 1rf4 h LEU 319 Ca 0.17 -0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 1rf4 h LEU 319 Cb -0.02 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.69 1rf4 h LEU 319 CO -0.03 0.62 0.06 0.25 -0.62 0.00 0.00 178.44 178.72 1rf4 h LEU 320 N 0.74 0.01 -1.79 2.25 5.85 0.31 -0.96 115.31 121.72 1rf4 h LEU 320 Ca 0.19 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1rf4 h LEU 320 Cb 0.09 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1rf4 h LEU 320 CO -0.03 0.04 -0.09 0.00 -0.34 0.00 0.00 178.44 178.03 1rf4 h ALA 321 N 1.23 1.83 -0.21 1.25 0.00 0.46 -1.00 119.26 122.83 1rf4 h ALA 321 Ca 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1rf4 h ALA 321 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1rf4 h ALA 321 CO -0.20 0.13 0.16 1.15 0.00 0.00 0.00 179.25 180.49 1rf4 h THR 322 N 0.02 0.85 -0.02 0.00 2.02 0.29 -1.93 112.91 114.13 1rf4 h THR 322 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rf4 h THR 322 Cb 0.17 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1rf4 h THR 322 CO 0.01 0.00 -0.16 0.00 0.37 0.00 0.00 175.52 175.74 1rf4 n GLN 323 N -4.40 1.81 -3.18 6.66 1.13 -0.39 -0.12 117.38 118.89 1rf4 n GLN 323 Ca 0.02 -1.43 -0.30 0.00 -1.94 0.00 0.00 57.00 53.35 1rf4 n GLN 323 Cb 0.30 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.14 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 -2.18 3.49 -0.19 -1.58 0.00 -0.72 -4.36 121.76 116.23 1rf4 s ALA 324 Ca 0.26 -0.33 -0.28 0.00 0.00 0.00 0.00 51.96 51.61 1rf4 s ALA 324 Cb 0.20 -2.50 -0.00 0.00 0.00 0.00 0.00 23.12 20.81 1rf4 s ALA 324 CO 0.40 0.22 0.99 -0.65 0.00 0.00 0.00 175.76 176.72 1rf4 s GLN 325 N -3.45 4.31 0.00 0.00 -1.52 0.79 -0.20 119.66 119.59 1rf4 s GLN 325 Ca 0.48 1.29 0.00 0.00 -1.95 0.00 0.00 55.36 55.18 1rf4 s GLN 325 Cb -0.11 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.08 1rf4 s GLN 325 CO 0.27 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 175.23 1rf4 n GLY 326 N 3.30 -1.53 3.79 3.09 0.00 -1.25 -2.15 105.19 110.44 1rf4 n GLY 326 Ca 0.10 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 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 4.88 -0.07 1.61 1.01 -1.26 0.25 120.40 126.81 1rf4 s VAL 327 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1rf4 s VAL 327 Cb 0.00 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1rf4 s VAL 327 CO 0.00 0.52 -0.13 0.42 0.00 0.00 0.00 175.10 175.91 1rf4 s THR 328 N -1.05 1.21 -0.15 3.92 -4.23 -0.39 -3.19 115.64 111.76 1rf4 s THR 328 Ca 0.18 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.15 1rf4 s THR 328 Cb -0.12 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.60 1rf4 s THR 328 CO 0.07 0.37 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.76 1rf4 s VAL 329 N 0.74 3.47 -0.21 2.29 1.01 -0.54 -1.25 120.40 125.90 1rf4 s VAL 329 Ca -0.13 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1rf4 s VAL 329 Cb -0.16 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1rf4 s VAL 329 CO 0.03 0.50 -0.11 -0.63 0.00 0.00 0.00 175.10 174.89 1rf4 s ILE 330 N 0.46 2.74 0.25 2.22 1.01 -0.64 0.38 121.20 127.62 1rf4 s ILE 330 Ca -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1rf4 s ILE 330 Cb -0.15 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1rf4 s ILE 330 CO 0.04 0.43 0.18 -1.59 0.00 0.00 0.00 174.94 173.99 1rf4 s LYS 331 N 1.37 1.39 -1.57 2.79 -2.85 -0.58 -1.70 119.74 118.60 1rf4 s LYS 331 Ca 0.04 -1.76 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 1rf4 s LYS 331 Cb -0.14 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 35.89 1rf4 s LYS 331 CO -0.07 -0.47 0.00 -0.25 0.10 0.00 0.00 175.35 174.66 1rf4 n ASP 332 N -0.69 -4.83 -1.59 0.03 10.43 -1.00 -4.35 116.55 114.57 1rf4 n ASP 332 Ca 0.04 0.27 -0.15 0.00 2.57 0.00 0.00 54.79 57.52 1rf4 n ASP 332 Cb 0.65 -3.78 0.12 0.00 1.84 0.00 0.00 41.12 39.95 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 0.40 4.82 0.20 2.24 0.00 0.17 -4.71 120.51 123.63 1rf4 n ALA 333 Ca -0.16 -3.43 0.17 0.00 0.00 0.00 0.00 53.44 50.02 1rf4 n ALA 333 Cb 0.55 -0.72 0.83 0.00 0.00 0.00 0.00 19.45 20.10 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 1.54 0.00 0.00 0.00 9.09 -1.78 -1.11 114.58 122.32 1rf4 h GLU 334 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 1rf4 h GLU 334 Cb 1.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.55 1rf4 h GLU 334 CO 0.66 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.65 1rf4 h GLU 335 N 0.00 0.00 -0.18 1.06 4.39 -1.92 -2.41 114.58 115.52 1rf4 h GLU 335 Ca 0.09 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 1rf4 h GLU 335 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1rf4 h GLU 335 CO -0.00 0.00 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.66 1rf4 h LEU 336 N 0.00 0.27 -2.09 1.33 3.38 -1.59 -2.64 115.31 113.97 1rf4 h LEU 336 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rf4 h LEU 336 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rf4 h LEU 336 CO 0.00 0.43 0.00 0.11 0.09 0.00 0.00 178.44 179.07 1rf4 h LYS 337 N 0.27 0.00 -0.51 1.13 1.57 -1.65 -1.20 116.57 116.19 1rf4 h LYS 337 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1rf4 h LYS 337 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1rf4 h LYS 337 CO 0.02 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.45 1rf4 n VAL 338 N -3.00 2.01 -1.47 0.50 3.14 -1.00 -4.09 118.33 114.43 1rf4 n VAL 338 Ca -0.01 -1.37 0.00 0.00 -2.96 0.00 0.00 64.34 60.00 1rf4 n VAL 338 Cb 0.19 0.01 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 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 0.59 0.74 -0.29 1.45 4.76 -1.10 -4.83 118.16 119.48 1rf4 n LYS 339 Ca 0.23 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.85 1rf4 n LYS 339 Cb 0.89 0.00 0.34 0.00 -1.84 0.00 0.00 35.03 34.43 1rf4 n LYS 339 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1rf4 n GLU 340 N -0.73 -0.06 -4.22 1.97 4.71 -1.26 -4.42 120.64 116.63 1rf4 n GLU 340 Ca 0.00 1.25 -0.14 0.00 -0.01 0.00 0.00 57.16 58.26 1rf4 n GLU 340 Cb 0.00 -2.07 -0.09 0.00 -1.01 0.00 0.00 31.44 28.27 1rf4 n GLU 340 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1rf4 s THR 341 N -5.63 0.00 -0.73 2.62 -4.23 -1.26 -4.82 115.64 101.59 1rf4 s THR 341 Ca -0.10 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.17 1rf4 s THR 341 Cb 0.27 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.61 1rf4 s THR 341 CO 0.67 0.00 1.60 -0.62 -0.54 0.00 0.00 174.62 175.72 1rf4 s ASP 342 N -3.21 5.73 0.00 3.99 -1.08 -1.26 -4.56 116.67 116.28 1rf4 s ASP 342 Ca 0.39 -0.24 0.13 0.00 -0.52 0.00 0.00 52.55 52.31 1rf4 s ASP 342 Cb 0.06 -2.55 0.80 0.00 -1.46 0.00 0.00 42.92 39.76 1rf4 s ASP 342 CO 0.16 -2.12 1.25 0.54 0.52 0.00 0.00 175.17 175.52 1rf4 n ARG 343 N 9.21 0.59 -0.09 4.34 1.74 -0.47 -1.11 116.66 130.87 1rf4 n ARG 343 Ca 0.16 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 1rf4 n ARG 343 Cb 0.50 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.54 1rf4 n ARG 343 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1rf4 n ILE 344 N -0.85 1.48 -0.00 0.55 5.41 -1.26 -3.88 119.36 120.81 1rf4 n ILE 344 Ca 0.10 0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.77 1rf4 n ILE 344 Cb 0.05 -2.22 -0.09 0.00 -0.71 0.00 0.00 39.64 36.67 1rf4 n ILE 344 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1rf4 h GLN 345 N -1.00 0.04 -0.70 0.38 5.75 -1.89 -1.83 115.11 115.85 1rf4 h GLN 345 Ca -0.20 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 1rf4 h GLN 345 Cb 0.99 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.50 1rf4 h GLN 345 CO -0.12 0.35 0.40 0.28 -2.65 0.00 0.00 178.83 177.09 1rf4 h VAL 346 N -0.28 1.21 -0.21 2.39 2.07 -1.37 -0.34 116.25 119.71 1rf4 h VAL 346 Ca 0.01 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1rf4 h VAL 346 Cb 0.33 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1rf4 h VAL 346 CO 0.00 0.22 0.01 0.58 0.02 0.00 0.00 177.57 178.40 1rf4 h VAL 347 N 0.96 1.25 -0.08 2.57 2.07 -1.67 -0.75 116.25 120.60 1rf4 h VAL 347 Ca 0.25 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.94 1rf4 h VAL 347 Cb 0.01 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1rf4 h VAL 347 CO -0.04 0.26 -0.08 0.00 0.02 0.00 0.00 177.57 177.73 1rf4 h ALA 348 N 0.80 -0.01 -0.52 1.67 0.00 -1.11 -1.04 119.26 119.05 1rf4 h ALA 348 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1rf4 h ALA 348 Cb 0.39 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1rf4 h ALA 348 CO 0.01 -0.54 0.25 -0.44 0.00 0.00 0.00 179.25 178.53 1rf4 h ASP 349 N -0.10 0.68 0.40 0.00 3.32 -1.02 -0.30 116.42 119.39 1rf4 h ASP 349 Ca 0.06 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1rf4 h ASP 349 Cb 0.18 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1rf4 h ASP 349 CO -0.14 0.61 -0.19 0.00 -1.72 0.00 0.00 179.24 177.80 1rf4 h ALA 350 N 1.09 -0.53 -0.39 3.45 0.00 -0.85 -1.59 119.26 120.45 1rf4 h ALA 350 Ca 0.18 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1rf4 h ALA 350 Cb 0.11 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rf4 h ALA 350 CO -0.02 -0.78 -0.23 -0.07 0.00 0.00 0.00 179.25 178.15 1rf4 h LEU 351 N -0.56 0.79 -1.32 0.00 3.38 -1.20 -2.76 115.31 113.64 1rf4 h LEU 351 Ca -0.05 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1rf4 h LEU 351 Cb 0.43 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1rf4 h LEU 351 CO 0.09 0.99 0.12 0.78 0.09 0.00 0.00 178.44 180.52 1rf4 h ASN 352 N 0.68 0.53 0.73 -0.43 2.35 -1.00 0.15 115.58 118.59 1rf4 h ASN 352 Ca 0.09 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1rf4 h ASN 352 Cb 0.74 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1rf4 h ASN 352 CO 0.06 0.52 0.00 -1.54 -1.65 0.00 0.00 177.43 174.82 1rf4 n SER 353 N -4.35 0.41 -0.10 5.81 3.41 -0.60 -3.00 113.62 115.20 1rf4 n SER 353 Ca 0.03 0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 59.02 1rf4 n SER 353 Cb 0.17 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.37 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 -1.94 0.41 0.00 4.33 2.81 -0.12 -4.65 117.12 117.96 1rf4 n MET 354 Ca 0.03 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1rf4 n MET 354 Cb 0.23 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 1.79 0.00 0.28 3.03 0.00 0.35 0.15 105.19 110.79 1rf4 n GLY 355 Ca -0.38 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.37 -0.73 -1.74 4.61 0.00 -0.40 -4.76 120.51 116.12 1rf4 n ALA 356 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 1rf4 n ALA 356 Cb 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.81 -2.32 -3.90 0.00 -0.08 -1.26 -4.83 116.55 102.35 1rf4 n ASP 357 Ca 0.00 -0.06 -0.23 0.00 -1.51 0.00 0.00 54.79 53.00 1rf4 n ASP 357 Cb 0.13 -0.89 -0.17 0.00 2.34 0.00 0.00 41.12 42.53 1rf4 n ASP 357 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1rf4 s ILE 358 N -3.03 0.71 -0.35 5.18 1.01 -1.26 -1.98 121.20 121.48 1rf4 s ILE 358 Ca 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1rf4 s ILE 358 Cb -0.00 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 41.78 1rf4 s ILE 358 CO 0.06 0.28 0.13 -0.89 0.00 0.00 0.00 174.94 174.52 1rf4 s THR 359 N 1.19 3.74 0.38 2.92 2.01 0.71 -4.93 115.64 121.65 1rf4 s THR 359 Ca -0.06 -1.26 -0.26 0.00 0.31 0.00 0.00 61.69 60.42 1rf4 s THR 359 Cb -0.14 -3.18 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1rf4 s THR 359 CO -0.02 -0.26 1.18 -2.16 -0.69 0.00 0.00 174.62 172.68 1rf4 s PRO 360 N 1.37 4.14 0.44 4.92 0.04 -1.26 -0.28 135.00 144.37 1rf4 s PRO 360 Ca -0.01 1.89 0.03 0.00 0.04 0.00 0.00 61.00 62.96 1rf4 s PRO 360 Cb -0.20 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1rf4 s PRO 360 CO 0.02 -0.26 0.07 0.95 0.04 0.00 0.00 177.00 177.82 1rf4 s THR 361 N -1.35 0.97 0.20 1.26 -4.23 0.68 -4.90 115.64 108.26 1rf4 s THR 361 Ca 0.55 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.39 1rf4 s THR 361 Cb -0.32 -2.38 0.37 0.00 1.34 0.00 0.00 72.50 71.51 1rf4 s THR 361 CO 0.41 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.50 1rf4 h ALA 362 N 1.67 1.03 0.00 3.99 0.00 -1.98 -3.19 119.26 120.78 1rf4 h ALA 362 Ca -0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1rf4 h ALA 362 Cb 1.28 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1rf4 h ALA 362 CO 0.66 0.05 -0.38 -0.40 0.00 0.00 0.00 179.25 179.19 1rf4 n ASP 363 N -3.18 1.17 0.00 0.00 3.85 -1.26 -4.48 116.55 112.64 1rf4 n ASP 363 Ca -0.00 -2.61 0.00 0.00 -0.71 0.00 0.00 54.79 51.47 1rf4 n ASP 363 Cb 0.29 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.73 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 -0.59 -0.57 3.45 6.12 0.00 -1.20 0.41 105.19 112.80 1rf4 n GLY 364 Ca 0.09 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.71 1.15 -0.16 1.61 0.23 -0.69 -0.23 119.30 119.49 1rf4 s MET 365 Ca 0.00 -0.32 -0.02 0.00 -1.03 0.00 0.00 55.69 54.32 1rf4 s MET 365 Cb 0.00 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.82 1rf4 s MET 365 CO 0.00 -0.48 -0.10 0.42 -2.03 0.00 0.00 175.02 172.83 1rf4 s ILE 366 N -3.22 3.17 -0.19 3.16 1.01 0.61 -1.62 121.20 124.12 1rf4 s ILE 366 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 1rf4 s ILE 366 Cb -0.01 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1rf4 s ILE 366 CO -0.09 0.49 -0.15 -0.63 0.00 0.00 0.00 174.94 174.56 1rf4 s ILE 367 N 0.74 2.49 -0.45 2.92 1.01 -0.38 -0.21 121.20 127.31 1rf4 s ILE 367 Ca -0.04 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 1rf4 s ILE 367 Cb -0.15 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1rf4 s ILE 367 CO 0.02 0.50 0.64 -0.75 0.00 0.00 0.00 174.94 175.35 1rf4 s LYS 368 N 1.28 3.24 0.52 2.79 2.47 -0.84 -1.27 119.74 127.94 1rf4 s LYS 368 Ca 0.04 -0.49 -0.19 0.00 -1.56 0.00 0.00 55.97 53.78 1rf4 s LYS 368 Cb -0.14 -3.98 -0.07 0.00 -1.46 0.00 0.00 37.83 32.18 1rf4 s LYS 368 CO -0.09 -1.06 1.05 0.20 0.16 0.00 0.00 175.35 175.61 1rf4 s GLY 369 N 2.15 2.37 0.00 5.54 0.00 0.68 -4.69 107.32 113.37 1rf4 s GLY 369 Ca 0.21 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1rf4 s GLY 369 CO 0.17 0.85 0.00 0.28 0.00 0.00 0.00 173.10 174.40 1rf4 n LYS 370 N -1.36 0.00 -4.70 2.90 4.76 0.83 -3.86 118.16 116.72 1rf4 n LYS 370 Ca 0.09 0.49 -0.33 0.00 -2.87 0.00 0.00 58.31 55.69 1rf4 n LYS 370 Cb 0.53 -1.47 -0.12 0.00 -1.84 0.00 0.00 35.03 32.12 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 -1.76 4.40 -0.11 4.39 0.01 -0.74 -5.01 113.70 114.88 1rf4 s SER 371 Ca 0.00 -0.12 -0.25 0.00 1.31 0.00 0.00 55.95 56.89 1rf4 s SER 371 Cb 0.00 -1.17 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 1rf4 s SER 371 CO 0.00 0.32 0.81 0.00 0.41 0.00 0.00 173.24 174.78 1rf4 s ALA 372 N -0.56 3.41 0.24 1.44 0.00 -1.26 -4.84 121.76 120.18 1rf4 s ALA 372 Ca 0.08 0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.08 1rf4 s ALA 372 Cb -0.12 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 1rf4 s ALA 372 CO 0.02 -0.42 0.58 -0.51 0.00 0.00 0.00 175.76 175.43 1rf4 s LEU 373 N 1.56 4.16 0.28 0.00 1.43 -1.26 -4.59 118.68 120.26 1rf4 s LEU 373 Ca 0.40 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1rf4 s LEU 373 Cb -0.18 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 1rf4 s LEU 373 CO 0.16 -0.08 0.09 -1.38 0.23 0.00 0.00 176.35 175.37 1rf4 s HIS 374 N -1.82 1.66 1.00 0.29 -3.43 0.40 -3.96 115.29 109.43 1rf4 s HIS 374 Ca 0.48 -1.13 -0.14 0.00 -0.80 0.00 0.00 55.06 53.46 1rf4 s HIS 374 Cb -0.11 -1.01 0.06 0.00 -1.43 0.00 0.00 32.58 30.09 1rf4 s HIS 374 CO 0.20 -0.25 0.29 0.41 -2.00 0.00 0.00 174.74 173.39 1rf4 n GLY 375 N -0.54 -2.17 0.00 -1.38 0.00 -1.25 -4.49 105.19 95.37 1rf4 n GLY 375 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1rf4 n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf4 n ALA 376 N -3.85 0.00 -3.15 4.61 0.00 0.31 -4.66 120.51 113.77 1rf4 n ALA 376 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1rf4 n ALA 376 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 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 3.40 -0.03 0.00 3.52 -1.26 -1.49 118.95 121.09 1rf4 s ARG 377 Ca 0.00 -0.67 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 1rf4 s ARG 377 Cb 0.00 -2.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.67 1rf4 s ARG 377 CO 0.00 0.15 -0.19 0.08 -0.81 0.00 0.00 175.30 174.53 1rf4 s VAL 378 N 0.53 1.57 -0.16 7.11 1.01 0.49 -4.95 120.40 126.00 1rf4 s VAL 378 Ca -0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1rf4 s VAL 378 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1rf4 s VAL 378 CO 0.04 0.45 -0.02 0.21 0.00 0.00 0.00 175.10 175.77 1rf4 s ASN 379 N -0.21 4.93 0.38 3.32 3.04 -1.26 -0.57 114.94 124.57 1rf4 s ASN 379 Ca 0.01 -0.09 0.08 0.00 0.04 0.00 0.00 52.86 52.91 1rf4 s ASN 379 Cb -0.10 -1.80 0.76 0.00 -1.54 0.00 0.00 41.25 38.57 1rf4 s ASN 379 CO 0.01 0.18 1.92 0.74 -3.04 0.00 0.00 177.10 176.91 1rf4 h THR 380 N 5.08 1.17 -2.36 -5.21 2.02 -1.64 -3.47 112.91 108.50 1rf4 h THR 380 Ca -0.32 -0.71 -0.40 0.00 0.77 0.00 0.00 66.41 65.74 1rf4 h THR 380 Cb 1.19 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 68.62 1rf4 h THR 380 CO 0.64 0.23 -0.46 0.49 0.37 0.00 0.00 175.52 176.79 1rf4 n PHE 381 N -4.30 -0.69 -0.97 3.16 0.99 -1.26 -1.48 117.46 112.91 1rf4 n PHE 381 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1rf4 n PHE 381 Cb 0.24 -3.67 0.00 0.00 -1.00 0.00 0.00 39.48 35.05 1rf4 n PHE 381 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1rf4 n GLY 382 N -0.77 0.48 3.30 1.37 0.00 -1.26 -4.87 105.19 103.44 1rf4 n GLY 382 Ca -0.22 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.32 5.55 0.33 1.61 -1.08 -0.55 -4.92 116.67 115.28 1rf4 s ASP 383 Ca 0.00 -1.23 0.09 0.00 -0.52 0.00 0.00 52.55 50.89 1rf4 s ASP 383 Cb 0.00 -1.95 0.84 0.00 -1.46 0.00 0.00 42.92 40.35 1rf4 s ASP 383 CO 0.00 -0.42 1.77 1.12 0.52 0.00 0.00 175.17 178.16 1rf4 h HIS 384 N 8.34 0.97 0.00 -5.34 2.07 -1.88 -1.01 115.15 118.31 1rf4 h HIS 384 Ca -0.24 0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.23 1rf4 h HIS 384 Cb 1.09 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.77 1rf4 h HIS 384 CO 0.59 0.17 -0.43 0.00 -3.07 0.00 0.00 177.93 175.19 1rf4 h ARG 385 N 0.65 0.00 -0.34 5.12 3.08 -1.94 -1.14 114.38 119.82 1rf4 h ARG 385 Ca 0.59 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.48 1rf4 h ARG 385 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1rf4 h ARG 385 CO -0.38 0.43 -0.42 0.82 -1.07 0.00 0.00 179.97 179.35 1rf4 h ILE 386 N 0.00 1.28 0.25 2.04 1.08 -1.52 -1.54 117.51 119.10 1rf4 h ILE 386 Ca -0.00 -1.60 -0.01 0.00 -0.39 0.00 0.00 64.86 62.85 1rf4 h ILE 386 Cb 0.86 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1rf4 h ILE 386 CO 0.06 0.53 -0.12 1.23 -0.69 0.00 0.00 178.15 179.15 1rf4 h GLY 387 N 0.82 -0.35 1.97 5.37 0.00 -1.00 -1.98 103.07 107.89 1rf4 h GLY 387 Ca 0.05 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1rf4 h GLY 387 CO 0.10 -0.13 -0.32 -0.33 0.00 0.00 0.00 176.54 175.86 1rf4 h MET 388 N -0.55 0.03 -0.29 4.80 2.86 -1.26 -1.84 114.93 118.69 1rf4 h MET 388 Ca -0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1rf4 h MET 388 Cb 0.40 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1rf4 h MET 388 CO 0.06 0.35 0.07 1.98 1.06 0.00 0.00 176.91 180.43 1rf4 h MET 389 N 0.03 0.46 -0.70 1.72 -1.53 -1.20 -2.42 114.93 111.28 1rf4 h MET 389 Ca 0.00 -0.11 -0.07 0.00 -3.44 0.00 0.00 59.70 56.09 1rf4 h MET 389 Cb 0.58 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.54 1rf4 h MET 389 CO 0.04 0.53 0.17 1.15 0.14 0.00 0.00 176.91 178.95 1rf4 h THR 390 N 0.30 1.26 -0.70 -0.77 2.02 -1.06 -1.13 112.91 112.83 1rf4 h THR 390 Ca 0.09 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.34 1rf4 h THR 390 Cb 0.28 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1rf4 h THR 390 CO 0.00 0.37 0.44 0.00 0.37 0.00 0.00 175.52 176.70 1rf4 h ALA 391 N 1.12 0.92 -0.19 6.16 0.00 -1.17 0.38 119.26 126.48 1rf4 h ALA 391 Ca 0.22 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 1rf4 h ALA 391 Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rf4 h ALA 391 CO 0.00 0.20 -0.57 -0.84 0.00 0.00 0.00 179.25 178.04 1rf4 h ILE 392 N 0.84 1.30 -0.97 0.00 3.07 -1.21 -3.09 117.51 117.46 1rf4 h ILE 392 Ca 0.29 -1.80 0.03 0.00 1.55 0.00 0.00 64.86 64.93 1rf4 h ILE 392 Cb 0.04 1.90 -0.05 0.00 -0.27 0.00 0.00 36.82 38.44 1rf4 h ILE 392 CO -0.12 0.57 0.64 0.00 -1.05 0.00 0.00 178.15 178.19 1rf4 h ALA 393 N 0.58 1.27 -0.13 0.16 0.00 -0.70 -1.27 119.26 119.17 1rf4 h ALA 393 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rf4 h ALA 393 Cb 1.19 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rf4 h ALA 393 CO 0.12 0.55 0.10 0.00 0.00 0.00 0.00 179.25 180.02 1rf4 h ALA 394 N 1.39 2.11 -0.21 0.00 0.00 -0.19 -1.22 119.26 121.15 1rf4 h ALA 394 Ca 0.38 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1rf4 h ALA 394 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rf4 h ALA 394 CO -0.11 -0.17 0.14 -0.07 0.00 0.00 0.00 179.25 179.04 1rf4 h LEU 395 N 0.00 0.14 -0.34 0.00 3.38 -1.16 -1.75 115.31 115.58 1rf4 h LEU 395 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rf4 h LEU 395 Cb 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1rf4 h LEU 395 CO -0.00 0.10 -0.11 0.18 0.09 0.00 0.00 178.44 178.70 1rf4 n LEU 396 N -4.50 0.64 -4.61 1.67 4.77 -0.46 -1.89 117.00 112.63 1rf4 n LEU 396 Ca 0.01 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.46 1rf4 n LEU 396 Cb 0.16 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1rf4 n LEU 396 CO 0.35 0.12 1.12 -0.69 -1.33 0.00 0.00 177.39 176.95 1rf4 s VAL 397 N -2.37 4.10 0.06 4.08 1.01 -0.66 -4.47 120.40 122.15 1rf4 s VAL 397 Ca 0.31 1.16 -0.15 0.00 0.00 0.00 0.00 61.98 63.30 1rf4 s VAL 397 Cb 0.20 -4.36 -0.28 0.00 0.00 0.00 0.00 36.38 31.94 1rf4 s VAL 397 CO 0.45 -0.78 1.11 0.00 0.00 0.00 0.00 175.10 175.89 1rf4 h ALA 398 N 9.71 0.01 -3.24 5.51 0.00 -1.87 -0.05 119.26 129.33 1rf4 h ALA 398 Ca -0.25 -0.76 -0.49 0.00 0.00 0.00 0.00 54.91 53.41 1rf4 h ALA 398 Cb 1.08 0.11 -0.38 0.00 0.00 0.00 0.00 17.79 18.60 1rf4 h ALA 398 CO 1.09 0.68 -0.78 0.34 0.00 0.00 0.00 179.25 180.58 1rf4 s ASP 399 N -7.41 2.11 0.00 0.00 3.68 -1.26 -4.78 116.67 109.01 1rf4 s ASP 399 Ca -0.10 -0.32 0.00 0.00 2.13 0.00 0.00 52.55 54.26 1rf4 s ASP 399 Cb 0.06 -0.66 0.00 0.00 -1.45 0.00 0.00 42.92 40.87 1rf4 s ASP 399 CO 0.93 -0.18 0.00 0.61 0.13 0.00 0.00 175.17 176.66 1rf4 n GLY 400 N 5.03 0.98 3.34 2.66 0.00 -1.26 -3.80 105.19 112.14 1rf4 n GLY 400 Ca -0.10 -2.22 -0.20 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.03 1.32 -0.10 1.61 0.41 -1.26 -4.72 118.70 114.92 1rf4 s GLU 401 Ca 0.00 -1.51 0.00 0.00 -0.41 0.00 0.00 54.97 53.06 1rf4 s GLU 401 Cb 0.00 -1.25 0.02 0.00 -1.78 0.00 0.00 34.13 31.12 1rf4 s GLU 401 CO 0.00 0.23 -0.09 0.54 -0.49 0.00 0.00 175.26 175.45 1rf4 s VAL 402 N -2.49 1.06 -0.16 2.63 0.11 -1.26 -0.53 120.40 119.75 1rf4 s VAL 402 Ca 0.19 -0.35 -0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1rf4 s VAL 402 Cb -0.03 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1rf4 s VAL 402 CO 0.07 0.36 0.03 -1.61 -3.33 0.00 0.00 175.10 170.63 1rf4 s GLU 403 N 1.40 3.80 -0.34 1.54 0.41 -0.56 -1.93 118.70 123.03 1rf4 s GLU 403 Ca -0.01 -0.39 -0.01 0.00 -0.41 0.00 0.00 54.97 54.15 1rf4 s GLU 403 Cb -0.13 -3.09 0.08 0.00 -1.78 0.00 0.00 34.13 29.20 1rf4 s GLU 403 CO -0.05 0.31 0.06 -1.17 -0.49 0.00 0.00 175.26 173.92 1rf4 s LEU 404 N 0.22 4.39 0.35 1.80 0.20 -0.21 -0.38 118.68 125.06 1rf4 s LEU 404 Ca 0.02 -1.63 -0.19 0.00 0.69 0.00 0.00 54.13 53.01 1rf4 s LEU 404 Cb -0.13 -1.72 -0.10 0.00 -0.43 0.00 0.00 46.19 43.81 1rf4 s LEU 404 CO 0.01 -0.36 0.85 -1.81 -0.29 0.00 0.00 176.35 174.75 1rf4 s ASP 405 N 1.36 6.95 -1.41 3.68 1.01 0.26 0.00 116.67 128.53 1rf4 s ASP 405 Ca 0.01 1.53 -0.10 0.00 0.71 0.00 0.00 52.55 54.71 1rf4 s ASP 405 Cb -0.21 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.29 1rf4 s ASP 405 CO -0.03 -0.22 1.08 -1.14 0.21 0.00 0.00 175.17 175.07 1rf4 n ARG 406 N -0.21 -6.87 0.25 8.23 0.63 -1.26 -1.94 116.66 115.48 1rf4 n ARG 406 Ca 0.04 0.74 0.11 0.00 -0.92 0.00 0.00 57.85 57.82 1rf4 n ARG 406 Cb 0.53 -5.71 0.63 0.00 0.45 0.00 0.00 32.46 28.36 1rf4 n ARG 406 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1rf4 h ALA 407 N 0.98 1.21 0.00 5.13 0.00 -1.96 -3.02 119.26 121.61 1rf4 h ALA 407 Ca -0.58 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1rf4 h ALA 407 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1rf4 h ALA 407 CO 0.60 0.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.20 1rf4 n GLU 408 N -3.59 0.02 0.30 0.00 0.00 -1.26 -1.69 120.64 114.43 1rf4 n GLU 408 Ca -0.01 0.48 0.16 0.00 0.00 0.00 0.00 57.16 57.79 1rf4 n GLU 408 Cb 0.30 -1.57 0.95 0.00 0.00 0.00 0.00 31.44 31.12 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 2.08 1.34 0.00 -1.84 0.00 -1.88 -0.79 119.26 118.17 1rf4 h ALA 409 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rf4 h ALA 409 Cb 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rf4 h ALA 409 CO 0.00 0.03 -0.02 0.82 0.00 0.00 0.00 179.25 180.07 1rf4 h ILE 410 N 0.00 0.72 0.00 0.00 2.04 -1.59 -1.17 117.51 117.51 1rf4 h ILE 410 Ca -0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1rf4 h ILE 410 Cb 0.08 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1rf4 h ILE 410 CO 0.00 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.77 1rf4 n ASN 411 N -4.07 0.00 0.20 1.72 3.02 -0.30 -1.21 115.26 114.62 1rf4 n ASN 411 Ca -0.03 0.25 0.04 0.00 -0.03 0.00 0.00 54.58 54.81 1rf4 n ASN 411 Cb 0.11 -0.32 0.44 0.00 -0.61 0.00 0.00 39.78 39.40 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 1.18 0.00 3.41 2.02 -1.40 0.79 112.91 118.91 1rf4 h THR 412 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1rf4 h THR 412 Cb 0.07 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1rf4 h THR 412 CO 0.00 0.25 0.00 -1.54 0.37 0.00 0.00 175.52 174.60 1rf4 n SER 413 N -4.24 0.00 -2.91 4.18 3.41 -0.88 -2.86 113.62 110.33 1rf4 n SER 413 Ca -0.02 -0.22 -0.14 0.00 -0.26 0.00 0.00 58.87 58.23 1rf4 n SER 413 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.31 -0.34 7.33 -0.00 -0.35 -4.78 117.16 116.72 1rf4 n TYR 414 Ca 0.00 -2.38 0.15 0.00 -0.00 0.00 0.00 57.90 55.66 1rf4 n TYR 414 Cb 0.05 0.88 0.36 0.00 -0.00 0.00 0.00 39.34 40.64 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 4.08 0.66 -0.70 2.98 0.11 -1.76 -1.64 132.00 135.74 1rf4 h PRO 415 Ca -0.06 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1rf4 h PRO 415 Cb 0.98 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1rf4 h PRO 415 CO 0.36 0.44 0.07 -1.13 -0.21 0.00 0.00 178.00 177.53 1rf4 n SER 416 N -4.73 4.77 -0.13 -2.05 3.41 -1.26 -4.63 113.62 109.00 1rf4 n SER 416 Ca 0.23 -2.85 -0.09 0.00 -0.26 0.00 0.00 58.87 55.91 1rf4 n SER 416 Cb 0.62 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 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 2.99 -1.10 0.00 7.33 3.57 -1.67 -0.88 116.94 127.17 1rf4 h PHE 417 Ca 0.07 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1rf4 h PHE 417 Cb 1.84 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 41.11 1rf4 h PHE 417 CO 0.97 -0.42 -0.28 0.74 -2.23 0.00 0.00 178.31 177.09 1rf4 h PHE 418 N -0.29 0.00 -0.59 0.41 0.04 -1.85 -2.05 116.94 112.62 1rf4 h PHE 418 Ca 0.16 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 1rf4 h PHE 418 Cb 0.57 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1rf4 h PHE 418 CO -0.59 0.28 0.04 -0.44 -0.60 0.00 0.00 178.31 176.99 1rf4 h ASP 419 N 0.00 0.95 -0.17 2.17 3.45 -1.53 -2.06 116.42 119.23 1rf4 h ASP 419 Ca -0.00 -0.24 -0.16 0.00 0.43 0.00 0.00 57.03 57.06 1rf4 h ASP 419 Cb 0.57 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1rf4 h ASP 419 CO 0.04 0.99 -0.47 0.44 -1.57 0.00 0.00 179.24 178.66 1rf4 h ASP 420 N 0.92 0.80 -0.31 6.45 3.45 -0.74 -2.89 116.42 124.10 1rf4 h ASP 420 Ca 0.17 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.23 1rf4 h ASP 420 Cb 0.48 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1rf4 h ASP 420 CO 0.02 1.14 0.16 0.25 -1.57 0.00 0.00 179.24 179.24 1rf4 h LEU 421 N 0.59 0.39 -1.28 1.55 5.85 -1.21 -2.70 115.31 118.50 1rf4 h LEU 421 Ca 0.03 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1rf4 h LEU 421 Cb 1.03 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1rf4 h LEU 421 CO 0.10 0.39 0.53 -0.33 -0.34 0.00 0.00 178.44 178.78 1rf4 h GLU 422 N 0.37 0.83 0.00 1.25 4.39 -1.33 -0.42 114.58 119.67 1rf4 h GLU 422 Ca 0.11 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1rf4 h GLU 422 Cb 0.09 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1rf4 h GLU 422 CO -0.02 0.55 -0.08 0.66 -1.16 0.00 0.00 179.01 178.96 1rf4 h SER 423 N 0.85 0.00 0.71 1.42 4.64 -1.27 -2.80 113.55 117.11 1rf4 h SER 423 Ca 0.35 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 1rf4 h SER 423 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1rf4 h SER 423 CO -0.13 0.08 -1.40 -0.07 -0.87 0.00 0.00 176.83 174.44 1rf4 h LEU 424 N 0.00 0.00 -0.14 5.97 3.38 -0.88 -3.37 115.31 120.26 1rf4 h LEU 424 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rf4 h LEU 424 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1rf4 h LEU 424 CO 0.01 0.99 0.04 0.40 0.09 0.00 0.00 178.44 179.96 1rf4 h ILE 425 N 0.00 1.19 -3.51 1.22 2.04 -1.08 -2.79 117.51 114.58 1rf4 h ILE 425 Ca -0.17 -0.60 -0.58 0.00 1.00 0.00 0.00 64.86 64.51 1rf4 h ILE 425 Cb 1.90 1.33 -0.09 0.00 -0.74 0.00 0.00 36.82 39.22 1rf4 h ILE 425 CO 0.10 0.18 0.75 -1.00 0.00 0.00 0.00 178.15 178.18 1rf4 s HIS 426 N -5.33 2.81 0.00 1.37 3.76 -1.20 -4.89 115.29 111.82 1rf4 s HIS 426 Ca -0.14 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.18 1rf4 s HIS 426 Cb 0.06 -4.22 0.00 0.00 1.11 0.00 0.00 32.58 29.53 1rf4 s HIS 426 CO 0.70 -1.29 0.00 0.41 -0.85 0.00 0.00 174.74 173.71