#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imu n THR 2 N 0.00 0.00 -2.24 2.03 -1.04 -1.26 -4.63 114.28 107.14 1imu n THR 2 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1imu n THR 2 Cb 0.00 -0.05 -0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1imu n THR 2 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1imu n LEU 3 N 0.00 -1.94 -4.89 -4.42 0.00 -1.26 -4.85 117.00 99.63 1imu n LEU 3 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 56.01 57.06 1imu n LEU 3 Cb 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 43.42 41.58 1imu n LEU 3 CO 0.00 -2.01 0.56 0.20 0.00 0.00 0.00 177.39 176.14 1imu s ASN 4 N -0.12 6.14 0.06 1.96 -0.87 0.23 -4.82 114.94 117.53 1imu s ASN 4 Ca -0.01 1.09 -0.00 0.00 -1.57 0.00 0.00 52.86 52.37 1imu s ASN 4 Cb 0.00 -2.25 -0.04 0.00 -0.02 0.00 0.00 41.25 38.94 1imu s ASN 4 CO 0.03 -0.77 -0.04 -0.63 -2.57 0.00 0.00 177.10 173.12 1imu s ILE 5 N -2.95 0.37 -0.36 0.60 1.09 -1.26 -0.49 121.20 118.20 1imu s ILE 5 Ca 0.51 -1.78 0.02 0.00 -1.10 0.00 0.00 60.65 58.31 1imu s ILE 5 Cb -0.11 -1.48 0.19 0.00 -1.06 0.00 0.00 42.46 40.00 1imu s ILE 5 CO 0.48 -0.92 0.74 -0.89 -0.10 0.00 0.00 174.94 174.26 1imu s THR 6 N -3.62 -0.78 -0.20 2.92 2.01 -0.75 -4.87 115.64 110.34 1imu s THR 6 Ca 0.07 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 1imu s THR 6 Cb 0.06 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 1imu s THR 6 CO -0.08 0.00 0.46 -0.44 -0.69 0.00 0.00 174.62 173.87 1imu s SER 7 N 2.19 6.49 0.52 3.53 0.01 -1.26 -3.73 113.70 121.45 1imu s SER 7 Ca 0.15 0.58 0.18 0.00 1.31 0.00 0.00 55.95 58.18 1imu s SER 7 Cb -0.04 -2.26 1.32 0.00 0.21 0.00 0.00 66.02 65.25 1imu s SER 7 CO -0.14 -0.13 2.15 0.07 0.41 0.00 0.00 173.24 175.60 1imu h LYS 8 N 7.45 0.00 0.00 12.44 2.10 -1.94 -3.43 116.57 133.20 1imu h LYS 8 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1imu h LYS 8 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1imu h LYS 8 CO 0.72 0.02 0.00 0.00 -2.00 0.00 0.00 179.45 178.19 1imu n GLN 9 N -4.42 0.00 -1.47 0.07 10.64 -1.26 -5.00 117.38 115.93 1imu n GLN 9 Ca -0.03 0.00 -0.46 0.00 -1.83 0.00 0.00 57.00 54.68 1imu n GLN 9 Cb 0.10 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.41 1imu n GLN 9 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1imu n MET 10 N 0.00 0.84 -0.22 2.61 0.00 -1.26 -4.90 117.12 114.19 1imu n MET 10 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 57.70 57.72 1imu n MET 10 Cb 0.00 -2.46 0.14 0.00 0.00 0.00 0.00 33.22 30.91 1imu n MET 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1imu n ASP 11 N 11.13 -2.89 -4.85 3.17 8.00 -1.26 -4.64 116.55 125.21 1imu n ASP 11 Ca 0.45 -0.42 -0.37 0.00 0.71 0.00 0.00 54.79 55.16 1imu n ASP 11 Cb 0.25 -0.56 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 1imu n ASP 11 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1imu s ILE 12 N -1.59 5.43 0.32 0.53 -1.09 -1.26 -4.96 121.20 118.57 1imu s ILE 12 Ca 0.32 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 59.08 1imu s ILE 12 Cb -0.06 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1imu s ILE 12 CO 0.27 0.58 0.30 0.42 -1.23 0.00 0.00 174.94 175.28 1imu s THR 13 N -0.78 0.00 0.26 2.92 -4.23 -1.26 -4.96 115.64 107.59 1imu s THR 13 Ca 0.15 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 1imu s THR 13 Cb -0.12 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.49 1imu s THR 13 CO 0.04 0.00 1.63 -0.65 -0.54 0.00 0.00 174.62 175.10 1imu h PRO 14 N 2.19 0.12 0.00 3.99 0.11 -1.98 0.22 132.00 136.65 1imu h PRO 14 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1imu h PRO 14 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1imu h PRO 14 CO 0.39 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.25 1imu n ALA 15 N -2.92 0.00 -0.04 -0.75 0.00 -1.26 0.03 120.51 115.58 1imu n ALA 15 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 1imu n ALA 15 Cb 0.54 0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 1imu n ALA 15 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1imu h ILE 16 N 0.00 0.09 -0.95 0.00 -2.65 -1.95 0.55 117.51 112.60 1imu h ILE 16 Ca 0.00 0.00 0.09 0.00 1.03 0.00 0.00 64.86 65.98 1imu h ILE 16 Cb 0.00 0.09 -0.12 0.00 -2.05 0.00 0.00 36.82 34.74 1imu h ILE 16 CO 0.00 0.00 -0.53 -1.14 0.03 0.00 0.00 178.15 176.51 1imu n ARG 17 N -5.43 -0.39 -0.34 0.16 0.63 0.78 0.22 116.66 112.29 1imu n ARG 17 Ca -0.04 1.43 -0.03 0.00 -0.92 0.00 0.00 57.85 58.30 1imu n ARG 17 Cb 0.37 -2.11 0.09 0.00 0.45 0.00 0.00 32.46 31.26 1imu n ARG 17 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1imu h GLU 18 N 0.00 1.19 0.11 -0.14 4.57 0.46 0.17 114.58 120.94 1imu h GLU 18 Ca 0.18 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1imu h GLU 18 Cb 0.41 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1imu h GLU 18 CO -0.90 0.79 -0.05 1.25 -1.18 0.00 0.00 179.01 178.92 1imu h HIS 19 N 1.23 -0.14 -0.76 0.92 2.76 0.62 0.82 115.15 120.60 1imu h HIS 19 Ca 0.33 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.63 1imu h HIS 19 Cb -0.14 0.05 -0.14 0.00 1.55 0.00 0.00 27.41 28.73 1imu h HIS 19 CO -0.01 -0.09 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.12 1imu h LEU 20 N -0.17 -1.24 0.22 0.26 3.38 0.26 1.13 115.31 119.16 1imu h LEU 20 Ca -0.02 0.26 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1imu h LEU 20 Cb 0.11 0.64 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1imu h LEU 20 CO 0.02 -0.30 -0.17 -0.33 0.09 0.00 0.00 178.44 177.76 1imu h GLU 21 N -0.09 -0.38 -0.99 1.13 5.08 -0.69 -0.83 114.58 117.82 1imu h GLU 21 Ca 0.29 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.83 1imu h GLU 21 Cb 0.57 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1imu h GLU 21 CO -0.81 -0.25 0.62 1.49 -1.00 0.00 0.00 179.01 179.05 1imu h GLU 22 N -0.39 0.81 -0.28 2.33 4.81 0.31 0.27 114.58 122.43 1imu h GLU 22 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1imu h GLU 22 Cb 0.34 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1imu h GLU 22 CO -0.00 0.53 0.18 0.00 -0.73 0.00 0.00 179.01 179.00 1imu h ARG 23 N 0.83 0.37 -0.00 1.92 2.47 0.20 0.52 114.38 120.69 1imu h ARG 23 Ca 0.53 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1imu h ARG 23 Cb 0.73 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 1imu h ARG 23 CO -0.31 0.24 0.00 1.25 0.56 0.00 0.00 179.97 181.72 1imu h LEU 24 N 0.38 0.00 -1.75 3.04 5.85 0.48 0.27 115.31 123.58 1imu h LEU 24 Ca 0.10 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1imu h LEU 24 Cb -0.04 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1imu h LEU 24 CO -0.02 0.07 0.35 0.00 -0.34 0.00 0.00 178.44 178.50 1imu h ALA 25 N 0.93 2.10 -0.17 1.25 0.00 -0.22 0.23 119.26 123.38 1imu h ALA 25 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1imu h ALA 25 Cb 0.07 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1imu h ALA 25 CO -0.00 -0.22 -0.70 -0.22 0.00 0.00 0.00 179.25 178.11 1imu h LYS 26 N 0.29 0.78 0.00 0.00 1.63 0.98 -2.85 116.57 117.40 1imu h LYS 26 Ca 0.24 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1imu h LYS 26 Cb 0.56 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1imu h LYS 26 CO -0.05 1.22 0.00 1.28 -3.45 0.00 0.00 179.45 178.45 1imu n LEU 27 N -3.99 0.00 0.13 5.20 4.77 0.85 -3.16 117.00 120.79 1imu n LEU 27 Ca -0.07 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1imu n LEU 27 Cb 0.71 -0.47 0.43 0.00 -2.33 0.00 0.00 43.42 41.75 1imu n LEU 27 CO 0.52 -0.12 0.93 1.23 -1.33 0.00 0.00 177.39 178.62 1imu h GLY 28 N 3.69 0.24 2.00 -0.72 0.00 -0.39 -1.54 103.07 106.35 1imu h GLY 28 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1imu h GLY 28 CO 0.00 0.13 0.00 0.58 0.00 0.00 0.00 176.54 177.25 1imu n LYS 29 N -4.32 0.01 -2.66 4.80 2.85 -1.19 -4.61 118.16 113.05 1imu n LYS 29 Ca -0.01 0.19 -0.43 0.00 -1.05 0.00 0.00 58.31 57.02 1imu n LYS 29 Cb 0.23 -1.52 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 1imu n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1imu s TRP 30 N -3.02 2.73 -0.08 5.58 0.52 -0.58 -4.87 118.94 119.22 1imu s TRP 30 Ca 0.09 0.42 -0.04 0.00 0.02 0.00 0.00 56.10 56.59 1imu s TRP 30 Cb 0.12 -4.36 -0.04 0.00 -1.15 0.00 0.00 33.47 28.04 1imu s TRP 30 CO 0.35 -1.41 0.92 0.00 0.02 0.00 0.00 176.95 176.83 1imu n GLN 31 N 7.98 0.01 -3.98 4.98 -0.00 -1.26 -4.63 117.38 120.47 1imu n GLN 31 Ca 0.08 -0.18 -0.11 0.00 -0.00 0.00 0.00 57.00 56.79 1imu n GLN 31 Cb 0.49 -1.29 -0.03 0.00 -0.00 0.00 0.00 30.24 29.41 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1imu s THR 32 N 2.77 0.00 -0.30 -0.39 2.01 -1.26 -4.96 115.64 113.52 1imu s THR 32 Ca 0.10 -1.37 0.02 0.00 0.31 0.00 0.00 61.69 60.75 1imu s THR 32 Cb 0.00 -2.55 0.09 0.00 0.01 0.00 0.00 72.50 70.05 1imu s THR 32 CO 0.03 0.00 0.02 -1.10 -0.69 0.00 0.00 174.62 172.88 1imu s GLN 33 N -3.17 1.44 -1.02 4.92 1.11 -1.26 -5.01 119.66 116.67 1imu s GLN 33 Ca 0.24 -1.43 -0.12 0.00 0.01 0.00 0.00 55.36 54.06 1imu s GLN 33 Cb -0.02 -2.76 -0.08 0.00 -1.01 0.00 0.00 33.01 29.14 1imu s GLN 33 CO 0.14 -0.82 2.18 1.28 0.01 0.00 0.00 175.29 178.08 1imu n LEU 34 N 4.50 5.38 -4.53 2.90 4.77 -1.24 -3.56 117.00 125.21 1imu n LEU 34 Ca -0.03 -3.20 -0.40 0.00 -0.03 0.00 0.00 56.01 52.35 1imu n LEU 34 Cb 0.42 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 1imu n LEU 34 CO 0.19 0.58 2.02 -0.38 -1.33 0.00 0.00 177.39 178.47 1imu n ILE 35 N 4.71 0.01 -3.05 -0.08 5.41 0.39 -3.58 119.36 123.17 1imu n ILE 35 Ca 0.51 -0.52 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 1imu n ILE 35 Cb 0.24 -2.12 0.00 0.00 -0.71 0.00 0.00 39.64 37.05 1imu n ILE 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1imu n SER 36 N 13.51 -7.02 -4.83 4.38 2.88 -1.26 -1.49 113.62 119.79 1imu n SER 36 Ca 0.43 0.71 -0.37 0.00 -1.33 0.00 0.00 58.87 58.31 1imu n SER 36 Cb 0.38 -2.85 -0.06 0.00 -0.75 0.00 0.00 64.21 60.93 1imu n SER 36 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1imu s PRO 37 N -1.30 3.83 0.35 -1.46 0.04 -1.23 -3.69 135.00 131.54 1imu s PRO 37 Ca 0.02 0.20 0.04 0.00 0.04 0.00 0.00 61.00 61.31 1imu s PRO 37 Cb -0.00 -3.25 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 1imu s PRO 37 CO 0.30 0.64 0.06 -1.01 0.04 0.00 0.00 177.00 177.03 1imu s HIS 38 N -0.80 2.03 -0.31 0.56 3.76 0.28 0.78 115.29 121.60 1imu s HIS 38 Ca 0.20 -0.94 0.02 0.00 -0.15 0.00 0.00 55.06 54.19 1imu s HIS 38 Cb -0.15 -1.36 0.16 0.00 1.11 0.00 0.00 32.58 32.34 1imu s HIS 38 CO 0.09 0.06 0.39 -0.06 -0.85 0.00 0.00 174.74 174.37 1imu s PHE 39 N -3.18 -0.84 -0.94 1.40 0.40 0.36 -1.87 117.98 113.30 1imu s PHE 39 Ca 0.34 0.05 -0.19 0.00 -0.60 0.00 0.00 56.93 56.53 1imu s PHE 39 Cb 0.08 -0.23 0.13 0.00 0.51 0.00 0.00 43.02 43.51 1imu s PHE 39 CO 0.15 -0.98 1.16 0.08 0.70 0.00 0.00 175.22 176.33 1imu s VAL 40 N 2.31 4.69 0.06 -0.44 1.01 0.45 -1.81 120.40 126.67 1imu s VAL 40 Ca 0.11 -1.57 -0.12 0.00 0.00 0.00 0.00 61.98 60.40 1imu s VAL 40 Cb -0.13 -4.80 -0.06 0.00 0.00 0.00 0.00 36.38 31.39 1imu s VAL 40 CO -0.26 -1.54 0.43 -1.48 0.00 0.00 0.00 175.10 172.25 1imu s LEU 41 N 2.78 4.40 0.17 3.92 2.34 -1.24 -0.01 118.68 131.03 1imu s LEU 41 Ca 0.34 0.90 -0.13 0.00 0.06 0.00 0.00 54.13 55.30 1imu s LEU 41 Cb -0.04 -2.87 0.01 0.00 -0.56 0.00 0.00 46.19 42.72 1imu s LEU 41 CO -0.09 0.22 0.38 0.20 -1.06 0.00 0.00 176.35 176.00 1imu s ASN 42 N -1.50 -0.09 0.19 1.48 0.01 0.38 -3.38 114.94 112.03 1imu s ASN 42 Ca 0.30 -0.67 0.07 0.00 -0.71 0.00 0.00 52.86 51.86 1imu s ASN 42 Cb -0.15 0.49 -0.05 0.00 0.41 0.00 0.00 41.25 41.95 1imu s ASN 42 CO 0.16 -0.95 -0.14 -0.75 -1.51 0.00 0.00 177.10 173.92 1imu s LYS 43 N -3.91 1.25 -0.10 -0.60 2.20 -1.26 -0.38 119.74 116.94 1imu s LYS 43 Ca 0.12 -1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 53.90 1imu s LYS 43 Cb 0.02 -1.00 0.08 0.00 -1.51 0.00 0.00 37.83 35.41 1imu s LYS 43 CO -0.02 0.16 0.72 0.14 -0.36 0.00 0.00 175.35 175.99 1imu s VAL 44 N -2.98 0.00 0.25 4.02 -7.23 0.12 -4.68 120.40 109.89 1imu s VAL 44 Ca 0.20 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.28 1imu s VAL 44 Cb -0.00 -1.00 0.33 0.00 0.56 0.00 0.00 36.38 36.27 1imu s VAL 44 CO 0.05 0.00 1.60 -0.65 -0.31 0.00 0.00 175.10 175.79 1imu h PRO 45 N 3.34 0.02 -0.95 4.82 0.11 -2.02 0.65 132.00 137.98 1imu h PRO 45 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1imu h PRO 45 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1imu h PRO 45 CO 0.32 0.02 0.00 -1.71 -0.21 0.00 0.00 178.00 176.41 1imu n ASN 46 N -5.48 1.18 0.00 -2.05 4.05 -1.26 -4.93 115.26 106.78 1imu n ASN 46 Ca 0.13 -2.04 0.00 0.00 0.45 0.00 0.00 54.58 53.12 1imu n ASN 46 Cb 0.46 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 40.97 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1imu n GLY 47 N 0.05 3.46 3.64 8.20 0.00 0.23 -4.64 105.19 116.12 1imu n GLY 47 Ca 0.01 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 1imu n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1imu s PHE 48 N -2.15 3.31 -0.29 1.61 0.40 0.37 0.13 117.98 121.36 1imu s PHE 48 Ca 0.00 0.65 -0.11 0.00 -0.60 0.00 0.00 56.93 56.87 1imu s PHE 48 Cb 0.00 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 1imu s PHE 48 CO 0.00 -0.18 0.20 -1.54 0.70 0.00 0.00 175.22 174.40 1imu s SER 49 N 1.36 6.03 0.16 1.36 1.04 0.49 -0.62 113.70 123.53 1imu s SER 49 Ca 0.21 -0.07 0.11 0.00 0.48 0.00 0.00 55.95 56.69 1imu s SER 49 Cb -0.15 -2.13 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 1imu s SER 49 CO 0.09 -0.08 -0.26 -0.69 0.98 0.00 0.00 173.24 173.28 1imu s VAL 50 N 1.77 2.29 -0.15 5.02 1.01 0.12 0.14 120.40 130.60 1imu s VAL 50 Ca 0.07 -1.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.05 1imu s VAL 50 Cb -0.16 -2.05 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1imu s VAL 50 CO 0.11 -0.00 0.38 -0.70 0.00 0.00 0.00 175.10 174.89 1imu s GLU 51 N -2.33 0.43 0.19 2.72 2.12 0.99 0.14 118.70 122.96 1imu s GLU 51 Ca 0.17 0.58 0.10 0.00 0.36 0.00 0.00 54.97 56.17 1imu s GLU 51 Cb -0.09 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.42 1imu s GLU 51 CO 0.08 -0.07 -0.19 0.00 -0.54 0.00 0.00 175.26 174.53 1imu s ALA 52 N 0.44 2.23 -0.25 6.30 0.00 0.11 0.17 121.76 130.75 1imu s ALA 52 Ca -0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.32 1imu s ALA 52 Cb -0.04 -0.21 0.14 0.00 0.00 0.00 0.00 23.12 23.01 1imu s ALA 52 CO -0.02 0.26 0.38 -1.54 0.00 0.00 0.00 175.76 174.84 1imu s SER 53 N -2.87 0.34 0.01 0.00 1.04 -0.78 0.21 113.70 111.65 1imu s SER 53 Ca 0.20 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1imu s SER 53 Cb -0.05 1.08 -0.01 0.00 0.10 0.00 0.00 66.02 67.13 1imu s SER 53 CO 0.09 -0.31 -0.15 -0.63 0.98 0.00 0.00 173.24 173.21 1imu s ILE 54 N 2.54 1.15 0.08 -1.02 1.01 0.10 0.10 121.20 125.17 1imu s ILE 54 Ca 0.12 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1imu s ILE 54 Cb -0.15 -0.99 -0.06 0.00 0.01 0.00 0.00 42.46 41.28 1imu s ILE 54 CO -0.19 0.23 0.38 -0.83 0.00 0.00 0.00 174.94 174.52 1imu s GLY 55 N -0.60 2.31 -0.00 6.18 0.00 -0.55 0.15 107.32 114.80 1imu s GLY 55 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.33 1imu s GLY 55 CO 0.00 -0.25 0.00 -0.51 0.00 0.00 0.00 173.10 172.34 1imu s THR 56 N -1.44 0.01 0.29 0.90 -4.23 -1.22 0.15 115.64 110.10 1imu s THR 56 Ca 0.34 0.02 0.28 0.00 -1.18 0.00 0.00 61.69 61.15 1imu s THR 56 Cb -0.13 -0.03 0.28 0.00 1.34 0.00 0.00 72.50 73.95 1imu s THR 56 CO 0.19 0.02 1.84 -0.65 -0.54 0.00 0.00 174.62 175.47 1imu h PRO 57 N 6.28 0.00 -0.02 3.99 0.11 -1.98 0.88 132.00 141.26 1imu h PRO 57 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1imu h PRO 57 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1imu h PRO 57 CO 0.51 0.00 -0.00 1.28 -0.21 0.00 0.00 178.00 179.57 1imu n LEU 58 N -2.59 2.32 0.00 2.35 4.32 -1.26 -4.99 117.00 117.15 1imu n LEU 58 Ca -0.02 -0.77 0.00 0.00 -0.02 0.00 0.00 56.01 55.20 1imu n LEU 58 Cb 0.19 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1imu n LEU 58 CO 0.12 0.39 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 1imu n GLY 59 N 1.27 4.22 3.16 -0.72 0.00 0.30 -4.87 105.19 108.56 1imu n GLY 59 Ca 0.16 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 1imu n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1imu n ASN 60 N 0.00 -2.61 -3.78 1.61 4.13 -1.24 -3.40 115.26 109.97 1imu n ASN 60 Ca 0.00 -0.10 -0.13 0.00 1.68 0.00 0.00 54.58 56.03 1imu n ASN 60 Cb 0.00 -0.78 -0.11 0.00 -1.54 0.00 0.00 39.78 37.35 1imu n ASN 60 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1imu s LEU 61 N 2.12 0.95 0.05 3.41 1.02 0.39 -4.72 118.68 121.91 1imu s LEU 61 Ca 0.48 0.49 -0.07 0.00 0.02 0.00 0.00 54.13 55.05 1imu s LEU 61 Cb -0.03 0.97 -0.01 0.00 0.02 0.00 0.00 46.19 47.14 1imu s LEU 61 CO 0.64 -0.14 0.13 -0.76 0.02 0.00 0.00 176.35 176.24 1imu s LEU 62 N -0.05 1.68 0.13 1.79 2.01 -1.26 0.03 118.68 123.02 1imu s LEU 62 Ca -0.02 -0.58 -0.21 0.00 0.01 0.00 0.00 54.13 53.34 1imu s LEU 62 Cb -0.02 0.75 0.06 0.00 0.01 0.00 0.00 46.19 46.98 1imu s LEU 62 CO 0.01 -0.58 0.52 0.00 1.01 0.00 0.00 176.35 177.31 1imu s ALA 63 N -3.05 -1.35 -0.23 4.21 0.00 0.13 -4.66 121.76 116.81 1imu s ALA 63 Ca -0.01 0.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 1imu s ALA 63 Cb 0.01 0.76 0.13 0.00 0.00 0.00 0.00 23.12 24.03 1imu s ALA 63 CO -0.07 -0.70 1.07 -1.54 0.00 0.00 0.00 175.76 174.53 1imu s SER 64 N -2.68 -0.36 -0.15 0.00 1.04 -1.25 0.04 113.70 110.34 1imu s SER 64 Ca 0.01 0.55 -0.29 0.00 0.48 0.00 0.00 55.95 56.70 1imu s SER 64 Cb 0.00 0.51 0.10 0.00 0.10 0.00 0.00 66.02 66.73 1imu s SER 64 CO -0.11 -0.22 0.85 0.00 0.98 0.00 0.00 173.24 174.74 1imu s ALA 65 N -0.45 -1.86 -0.31 5.32 0.00 0.12 -4.85 121.76 119.74 1imu s ALA 65 Ca 0.02 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.58 1imu s ALA 65 Cb -0.03 -0.61 0.08 0.00 0.00 0.00 0.00 23.12 22.56 1imu s ALA 65 CO -0.04 -0.32 -0.01 0.99 0.00 0.00 0.00 175.76 176.38 1imu s THR 66 N -0.77 2.43 0.04 0.00 2.01 -1.25 0.12 115.64 118.22 1imu s THR 66 Ca -0.04 -1.91 0.03 0.00 0.31 0.00 0.00 61.69 60.07 1imu s THR 66 Cb -0.01 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1imu s THR 66 CO 0.04 -0.32 -0.09 -0.94 -0.69 0.00 0.00 174.62 172.62 1imu s SER 67 N 1.12 0.97 0.19 3.53 1.04 0.21 -4.78 113.70 115.98 1imu s SER 67 Ca 0.01 -0.46 0.19 0.00 0.48 0.00 0.00 55.95 56.16 1imu s SER 67 Cb -0.20 -0.01 0.84 0.00 0.10 0.00 0.00 66.02 66.76 1imu s SER 67 CO -0.05 -0.12 1.58 -0.90 0.98 0.00 0.00 173.24 174.73 1imu n ASP 68 N 1.76 0.43 -4.24 7.02 5.75 -1.26 0.14 116.55 126.15 1imu n ASP 68 Ca -0.20 0.63 -0.43 0.00 -0.01 0.00 0.00 54.79 54.78 1imu n ASP 68 Cb 0.55 -0.71 -0.07 0.00 -1.03 0.00 0.00 41.12 39.86 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1imu s ASP 69 N -3.81 5.87 0.00 -1.12 1.01 -1.26 -4.72 116.67 112.65 1imu s ASP 69 Ca 0.03 -1.89 0.00 0.00 0.71 0.00 0.00 52.55 51.41 1imu s ASP 69 Cb 0.08 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1imu s ASP 69 CO 0.29 -0.75 0.91 0.23 0.21 0.00 0.00 175.17 176.07 1imu n MET 70 N 5.01 0.00 0.25 8.23 2.81 -1.26 0.17 117.12 132.33 1imu n MET 70 Ca -0.10 0.91 0.10 0.00 -1.81 0.00 0.00 57.70 56.81 1imu n MET 70 Cb 0.40 -1.37 0.66 0.00 -0.71 0.00 0.00 33.22 32.20 1imu n MET 70 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1imu h TYR 71 N 0.00 0.00 -0.14 2.03 -1.99 -1.95 0.46 116.97 115.37 1imu h TYR 71 Ca 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.54 1imu h TYR 71 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1imu h TYR 71 CO -0.86 0.13 -0.69 -0.22 -0.00 0.00 0.00 178.16 176.52 1imu h LYS 72 N 0.00 0.60 -0.21 4.88 1.63 -1.38 1.63 116.57 123.71 1imu h LYS 72 Ca -0.00 -0.45 -0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1imu h LYS 72 Cb 0.27 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1imu h LYS 72 CO 0.02 1.07 0.09 0.00 -3.45 0.00 0.00 179.45 177.18 1imu h ALA 73 N 0.81 0.27 -0.50 5.00 0.00 0.30 1.64 119.26 126.77 1imu h ALA 73 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1imu h ALA 73 Cb 1.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1imu h ALA 73 CO 0.13 -0.16 0.14 0.82 0.00 0.00 0.00 179.25 180.19 1imu h ILE 74 N 0.20 1.21 -0.98 0.00 5.03 -0.81 0.33 117.51 122.49 1imu h ILE 74 Ca 0.07 -0.72 0.03 0.00 -0.12 0.00 0.00 64.86 64.12 1imu h ILE 74 Cb 0.14 0.67 -0.06 0.00 -3.03 0.00 0.00 36.82 34.54 1imu h ILE 74 CO -0.01 0.27 0.64 -1.13 -0.68 0.00 0.00 178.15 177.24 1imu h ASN 75 N 0.73 1.07 0.23 1.72 -0.73 0.43 0.18 115.58 119.22 1imu h ASN 75 Ca 0.17 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 1imu h ASN 75 Cb 0.24 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.58 1imu h ASN 75 CO -0.01 0.74 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.60 1imu h GLU 76 N 1.25 -0.30 -0.45 6.67 4.57 0.41 -2.34 114.58 124.40 1imu h GLU 76 Ca 0.39 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.68 1imu h GLU 76 Cb -0.01 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.55 1imu h GLU 76 CO -0.12 0.07 -0.26 0.28 -1.18 0.00 0.00 179.01 177.80 1imu h VAL 77 N -0.86 0.30 -0.53 0.32 2.07 -0.17 0.59 116.25 117.97 1imu h VAL 77 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1imu h VAL 77 Cb 0.51 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1imu h VAL 77 CO 0.05 0.00 0.36 -0.08 0.02 0.00 0.00 177.57 177.92 1imu h GLU 78 N -0.17 0.38 -0.46 1.57 4.57 -0.72 0.43 114.58 120.18 1imu h GLU 78 Ca 0.20 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1imu h GLU 78 Cb 0.50 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1imu h GLU 78 CO -0.55 0.25 -0.20 0.93 -1.18 0.00 0.00 179.01 178.27 1imu h GLU 79 N 0.39 0.95 -0.08 1.92 4.39 0.58 0.44 114.58 123.16 1imu h GLU 79 Ca 0.24 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.51 1imu h GLU 79 Cb 0.44 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1imu h GLU 79 CO -0.06 1.07 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.59 1imu h LYS 80 N 0.79 0.17 -0.52 2.33 3.64 0.15 0.38 116.57 123.50 1imu h LYS 80 Ca 0.11 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1imu h LYS 80 Cb 0.77 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1imu h LYS 80 CO 0.06 0.54 0.33 1.25 -2.27 0.00 0.00 179.45 179.37 1imu h LEU 81 N -0.20 0.61 -0.18 5.20 7.12 -0.19 0.24 115.31 127.91 1imu h LEU 81 Ca 0.02 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.97 1imu h LEU 81 Cb 0.49 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 1imu h LEU 81 CO 0.01 0.47 0.03 -0.08 -0.13 0.00 0.00 178.44 178.74 1imu h GLU 82 N 0.71 0.30 -0.33 1.25 4.81 -0.06 0.15 114.58 121.40 1imu h GLU 82 Ca 0.19 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1imu h GLU 82 Cb -0.05 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 1imu h GLU 82 CO -0.04 0.46 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.55 1imu h ARG 83 N 0.10 0.03 -0.89 1.92 9.65 0.11 0.35 114.38 125.65 1imu h ARG 83 Ca 0.06 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1imu h ARG 83 Cb 0.30 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 1imu h ARG 83 CO 0.00 0.02 0.59 1.96 2.80 0.00 0.00 179.97 185.34 1imu h GLN 84 N 0.03 1.17 -0.27 0.20 4.20 -0.36 0.19 115.11 120.26 1imu h GLN 84 Ca 0.16 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1imu h GLN 84 Cb 0.24 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 27.70 1imu h GLN 84 CO -0.32 0.77 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.50 1imu h LEU 85 N 1.20 -0.22 -1.74 1.46 3.38 0.13 0.33 115.31 119.86 1imu h LEU 85 Ca 0.33 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.38 1imu h LEU 85 Cb -0.13 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1imu h LEU 85 CO -0.07 -0.07 0.19 -1.13 0.09 0.00 0.00 178.44 177.44 1imu h ASN 86 N 0.02 0.30 -0.01 -0.43 -1.24 0.62 0.91 115.58 115.75 1imu h ASN 86 Ca 0.13 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1imu h ASN 86 Cb 0.19 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.17 1imu h ASN 86 CO -0.27 0.22 0.01 0.50 -1.29 0.00 0.00 177.43 176.60 1imu h LYS 87 N 0.36 0.02 0.48 6.67 3.11 0.25 0.96 116.57 128.42 1imu h LYS 87 Ca 0.11 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.93 1imu h LYS 87 Cb -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1imu h LYS 87 CO -0.02 0.08 -0.29 -0.07 -2.81 0.00 0.00 179.45 176.33 1imu h LEU 88 N -0.05 -0.74 -2.16 5.20 3.38 0.51 0.78 115.31 122.23 1imu h LEU 88 Ca 0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1imu h LEU 88 Cb 0.07 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1imu h LEU 88 CO -0.00 -0.46 0.18 1.56 0.09 0.00 0.00 178.44 179.80 1imu h GLN 89 N -0.73 0.00 0.02 1.13 4.20 -0.73 -3.06 115.11 115.93 1imu h GLN 89 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1imu h GLN 89 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1imu h GLN 89 CO 0.05 0.00 -0.01 0.45 -0.67 0.00 0.00 178.83 178.66 1imu h HIS 90 N 0.00 -0.02 -6.77 2.96 3.86 0.23 -3.47 115.15 111.94 1imu h HIS 90 Ca 0.09 -0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.75 1imu h HIS 90 Cb 0.45 0.01 -0.22 0.00 1.06 0.00 0.00 27.41 28.71 1imu h HIS 90 CO 0.00 -0.01 -0.84 0.36 0.86 0.00 0.00 177.93 178.30 1imu n LYS 91 N -2.30 -3.04 -2.71 2.45 2.85 0.26 -4.88 118.16 110.79 1imu n LYS 91 Ca -0.00 0.36 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 1imu n LYS 91 Cb 0.01 -5.07 -0.03 0.00 -0.65 0.00 0.00 35.03 29.29 1imu n LYS 91 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1imu s SER 92 N -3.31 7.19 -0.10 -5.58 1.04 -1.26 -4.93 113.70 106.76 1imu s SER 92 Ca 0.74 1.47 0.05 0.00 0.48 0.00 0.00 55.95 58.68 1imu s SER 92 Cb -0.40 -2.54 -0.24 0.00 0.10 0.00 0.00 66.02 62.93 1imu s SER 92 CO 0.93 -0.48 0.46 -1.84 0.98 0.00 0.00 173.24 173.29 1imu n GLU 93 N 5.24 0.69 -2.76 4.02 0.28 -1.26 -5.06 120.64 121.79 1imu n GLU 93 Ca 0.09 0.26 -0.03 0.00 -0.16 0.00 0.00 57.16 57.32 1imu n GLU 93 Cb 0.48 -1.73 -0.02 0.00 1.43 0.00 0.00 31.44 31.60 1imu n GLU 93 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1imu n SER 94 N -3.21 -4.45 0.08 -1.84 7.64 -1.26 -4.99 113.62 105.59 1imu n SER 94 Ca -0.25 1.24 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1imu n SER 94 Cb 1.05 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 59.79 1imu n SER 94 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1imu n ARG 95 N 1.45 0.00 -3.93 1.43 0.63 -1.26 -5.15 116.66 109.83 1imu n ARG 95 Ca -0.19 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.63 1imu n ARG 95 Cb 0.34 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.13 1imu n ARG 95 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1imu s ARG 96 N -2.00 0.16 -0.60 -0.14 0.52 -1.26 -5.04 118.95 110.58 1imu s ARG 96 Ca 0.00 -0.29 -0.00 0.00 -0.52 0.00 0.00 55.73 54.92 1imu s ARG 96 Cb 0.00 0.03 0.50 0.00 0.52 0.00 0.00 34.95 35.99 1imu s ARG 96 CO 0.00 -0.02 1.97 0.00 0.02 0.00 0.00 175.30 177.28 1imu n ALA 97 N 2.40 6.11 -2.12 2.13 0.00 -1.26 -4.99 120.51 122.78 1imu n ALA 97 Ca -0.17 -3.36 -0.27 0.00 0.00 0.00 0.00 53.44 49.63 1imu n ALA 97 Cb 0.58 -1.64 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1imu n ALA 97 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1imu s ASP 98 N -1.80 5.89 0.34 0.00 2.15 -1.26 -5.05 116.67 116.94 1imu s ASP 98 Ca 0.62 0.88 -0.27 0.00 0.43 0.00 0.00 52.55 54.21 1imu s ASP 98 Cb 0.50 -1.99 -0.09 0.00 -0.30 0.00 0.00 42.92 41.04 1imu s ASP 98 CO 0.02 -0.88 1.11 -1.83 -0.17 0.00 0.00 175.17 173.42 1imu s GLU 99 N -4.93 4.39 -0.31 4.34 1.03 -1.26 -5.03 118.70 116.93 1imu s GLU 99 Ca 0.52 1.75 -0.01 0.00 0.03 0.00 0.00 54.97 57.26 1imu s GLU 99 Cb -0.10 -2.92 0.13 0.00 -0.80 0.00 0.00 34.13 30.44 1imu s GLU 99 CO 0.46 0.00 0.24 0.50 -1.33 0.00 0.00 175.26 175.13 1imu s ARG 100 N -1.90 0.35 -0.10 -4.83 6.06 -1.26 -4.97 118.95 112.29 1imu s ARG 100 Ca 0.51 -0.50 0.06 0.00 -2.50 0.00 0.00 55.73 53.29 1imu s ARG 100 Cb -0.29 -0.91 -0.11 0.00 0.06 0.00 0.00 34.95 33.70 1imu s ARG 100 CO 0.38 -1.07 -0.01 -0.11 -2.50 0.00 0.00 175.30 171.99 1imu n LEU 101 N 5.00 0.92 -4.82 -0.88 7.94 -1.26 -5.02 117.00 118.89 1imu n LEU 101 Ca 0.00 -0.02 -0.33 0.00 -1.11 0.00 0.00 56.01 54.55 1imu n LEU 101 Cb 0.44 0.03 -0.02 0.00 0.53 0.00 0.00 43.42 44.40 1imu n LEU 101 CO 0.04 0.38 0.70 -1.59 -1.11 0.00 0.00 177.39 175.81 1imu s LYS 102 N -2.23 3.67 -0.36 1.96 0.00 -1.26 -5.05 119.74 116.46 1imu s LYS 102 Ca -0.08 1.13 0.00 0.00 0.00 0.00 0.00 55.97 57.02 1imu s LYS 102 Cb 0.03 -2.09 0.12 0.00 0.00 0.00 0.00 37.83 35.90 1imu s LYS 102 CO 0.36 -0.52 0.17 -0.51 0.00 0.00 0.00 175.35 174.85 1imu s ASP 103 N -2.74 3.72 0.39 0.03 1.11 -1.26 -5.12 116.67 112.79 1imu s ASP 103 Ca 0.62 -2.09 0.05 0.00 0.18 0.00 0.00 52.55 51.32 1imu s ASP 103 Cb -0.13 -0.85 -0.07 0.00 1.07 0.00 0.00 42.92 42.94 1imu s ASP 103 CO 0.31 -0.34 0.03 -0.94 1.18 0.00 0.00 175.17 175.41 1imu s SER 104 N 1.07 3.33 -0.07 0.27 1.04 -1.26 -5.15 113.70 112.92 1imu s SER 104 Ca 0.14 -1.40 0.02 0.00 0.48 0.00 0.00 55.95 55.18 1imu s SER 104 Cb -0.21 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.73 1imu s SER 104 CO -0.12 -0.55 -0.10 0.12 0.98 0.00 0.00 173.24 173.57 1imu s PHE 105 N -2.95 1.35 -0.05 5.02 2.19 -1.26 -5.13 117.98 117.15 1imu s PHE 105 Ca 0.33 -0.52 -0.16 0.00 0.33 0.00 0.00 56.93 56.92 1imu s PHE 105 Cb 0.09 -1.03 -0.05 0.00 -1.31 0.00 0.00 43.02 40.71 1imu s PHE 105 CO 0.16 -0.30 0.42 -2.00 1.83 0.00 0.00 175.22 175.32 1imu s GLU 106 N 0.89 4.09 0.00 10.12 2.12 -1.26 -5.37 118.70 129.29 1imu s GLU 106 Ca -0.11 0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1imu s GLU 106 Cb -0.15 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1imu s GLU 106 CO 0.01 0.48 0.40 -1.71 -0.54 0.00 0.00 175.26 173.90