#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 -0.65 2.03 -1.04 -1.26 -4.70 114.28 108.67 1imu n THR 2 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1imu n THR 2 Cb 0.00 -0.68 -0.04 0.00 -1.82 0.00 0.00 70.33 67.80 1imu n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1imu n LEU 3 N -0.19 0.27 -4.94 -4.42 -0.00 -1.26 -4.91 117.00 101.55 1imu n LEU 3 Ca -0.02 0.46 -0.25 0.00 -0.00 0.00 0.00 56.01 56.21 1imu n LEU 3 Cb 0.30 -0.35 0.06 0.00 -0.00 0.00 0.00 43.42 43.43 1imu n LEU 3 CO 0.03 -0.51 0.56 0.20 -0.00 0.00 0.00 177.39 177.67 1imu s ASN 4 N 0.68 4.89 0.12 1.45 -0.87 0.80 -4.89 114.94 117.11 1imu s ASN 4 Ca 0.39 0.34 0.05 0.00 -1.57 0.00 0.00 52.86 52.07 1imu s ASN 4 Cb -0.55 -1.02 -0.04 0.00 -0.02 0.00 0.00 41.25 39.62 1imu s ASN 4 CO 0.28 -1.52 -0.13 0.27 -2.57 0.00 0.00 177.10 173.44 1imu s ILE 5 N -3.15 1.21 -0.32 0.60 -0.00 -1.26 -0.55 121.20 117.73 1imu s ILE 5 Ca 0.60 -1.71 0.17 0.00 -0.00 0.00 0.00 60.65 59.71 1imu s ILE 5 Cb -0.10 -1.50 0.46 0.00 -0.00 0.00 0.00 42.46 41.31 1imu s ILE 5 CO 0.43 -0.48 1.18 0.41 -0.00 0.00 0.00 174.94 176.49 1imu n THR 6 N 0.50 0.74 -1.55 8.37 -1.04 -1.04 -4.87 114.28 115.39 1imu n THR 6 Ca -0.15 -2.37 -0.54 0.00 -2.04 0.00 0.00 64.05 58.95 1imu n THR 6 Cb 0.57 1.00 -0.07 0.00 -1.82 0.00 0.00 70.33 70.02 1imu n THR 6 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1imu n SER 7 N -0.61 2.26 -0.35 8.00 3.41 -1.26 -4.60 113.62 120.47 1imu n SER 7 Ca 0.01 0.72 -0.03 0.00 -0.26 0.00 0.00 58.87 59.32 1imu n SER 7 Cb 0.83 -1.20 0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1imu n SER 7 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1imu h LYS 8 N 9.99 1.26 0.00 4.33 2.10 -1.92 -3.44 116.57 128.90 1imu h LYS 8 Ca -0.35 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1imu h LYS 8 Cb 1.32 -0.28 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1imu h LYS 8 CO 1.00 0.85 0.00 0.00 -2.00 0.00 0.00 179.45 179.30 1imu n GLN 9 N -4.40 0.00 -1.47 0.07 10.64 -1.26 -5.00 117.38 115.96 1imu n GLN 9 Ca 0.11 0.00 -0.47 0.00 -1.83 0.00 0.00 57.00 54.81 1imu n GLN 9 Cb 0.03 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.33 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 -0.22 0.91 -0.30 2.61 0.00 -1.26 -4.91 117.12 113.95 1imu n MET 10 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 57.70 57.69 1imu n MET 10 Cb 0.00 -2.49 0.20 0.00 0.00 0.00 0.00 33.22 30.93 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 10.94 -3.43 -4.86 3.17 8.00 -1.26 -4.74 116.55 124.36 1imu n ASP 11 Ca 0.44 -0.59 -0.31 0.00 0.71 0.00 0.00 54.79 55.04 1imu n ASP 11 Cb 0.25 -0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 40.53 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1imu s ILE 12 N -1.91 5.05 0.25 0.53 -0.00 -1.26 -5.01 121.20 118.84 1imu s ILE 12 Ca 0.45 -0.52 -0.04 0.00 -0.00 0.00 0.00 60.65 60.54 1imu s ILE 12 Cb -0.08 -3.45 -0.02 0.00 -0.00 0.00 0.00 42.46 38.91 1imu s ILE 12 CO 0.38 0.15 0.29 0.42 -0.00 0.00 0.00 174.94 176.18 1imu s THR 13 N -1.45 0.00 0.33 8.37 -4.23 -1.26 -4.96 115.64 112.44 1imu s THR 13 Ca 0.32 -1.77 0.11 0.00 -1.18 0.00 0.00 61.69 59.17 1imu s THR 13 Cb -0.13 -2.43 0.36 0.00 1.34 0.00 0.00 72.50 71.64 1imu s THR 13 CO 0.25 0.00 1.60 -0.65 -0.54 0.00 0.00 174.62 175.28 1imu h PRO 14 N 2.39 0.09 0.00 3.99 0.11 -1.99 0.20 132.00 136.79 1imu h PRO 14 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1imu h PRO 14 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1imu h PRO 14 CO 0.44 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 1imu n ALA 15 N -2.59 0.00 -0.04 -0.75 0.00 -1.26 -0.10 120.51 115.78 1imu n ALA 15 Ca 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.63 1imu n ALA 15 Cb 0.99 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 20.42 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 0.18 -0.98 0.00 -2.65 -1.94 0.37 117.51 112.50 1imu h ILE 16 Ca 0.00 0.00 0.12 0.00 1.03 0.00 0.00 64.86 66.01 1imu h ILE 16 Cb 0.00 0.18 -0.14 0.00 -2.05 0.00 0.00 36.82 34.82 1imu h ILE 16 CO 0.00 0.00 -0.49 -0.09 0.03 0.00 0.00 178.15 177.60 1imu h ARG 17 N -0.40 -0.01 -0.70 0.16 2.43 -0.70 1.55 114.38 116.71 1imu h ARG 17 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1imu h ARG 17 Cb 0.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1imu h ARG 17 CO -0.44 -0.01 0.38 1.49 -1.51 0.00 0.00 179.97 179.88 1imu h GLU 18 N -0.01 0.96 0.23 0.20 4.81 0.45 0.21 114.58 121.42 1imu h GLU 18 Ca 0.25 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1imu h GLU 18 Cb 0.51 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1imu h GLU 18 CO -0.95 0.70 -0.11 1.25 -0.73 0.00 0.00 179.01 179.17 1imu h HIS 19 N 0.97 -0.28 -0.79 0.92 2.76 0.55 0.95 115.15 120.23 1imu h HIS 19 Ca 0.25 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.58 1imu h HIS 19 Cb 0.02 0.09 -0.15 0.00 1.55 0.00 0.00 27.41 28.93 1imu h HIS 19 CO 0.01 -0.17 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.29 1imu h LEU 20 N -0.35 -0.57 0.19 0.26 3.38 0.17 1.05 115.31 119.43 1imu h LEU 20 Ca -0.03 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1imu h LEU 20 Cb 0.23 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1imu h LEU 20 CO 0.05 -0.24 -0.09 -0.33 0.09 0.00 0.00 178.44 177.92 1imu h GLU 21 N 0.04 -0.24 0.34 1.13 5.08 -0.55 0.10 114.58 120.48 1imu h GLU 21 Ca 0.41 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1imu h GLU 21 Cb 0.68 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1imu h GLU 21 CO -0.76 -0.09 -0.33 1.49 -1.00 0.00 0.00 179.01 178.32 1imu h GLU 22 N -0.33 -0.67 -0.90 2.33 4.81 0.33 0.33 114.58 120.48 1imu h GLU 22 Ca -0.03 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.42 1imu h GLU 22 Cb 0.26 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.69 1imu h GLU 22 CO 0.04 -0.45 0.48 -0.09 -0.73 0.00 0.00 179.01 178.27 1imu h ARG 23 N -0.69 0.60 0.45 1.92 9.65 0.11 0.28 114.38 126.70 1imu h ARG 23 Ca -0.02 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1imu h ARG 23 Cb 0.63 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1imu h ARG 23 CO -0.06 0.40 -0.22 1.25 2.80 0.00 0.00 179.97 184.15 1imu h LEU 24 N 0.62 -0.51 -1.84 3.80 7.12 0.10 0.26 115.31 124.86 1imu h LEU 24 Ca 0.52 0.01 0.21 0.00 0.13 0.00 0.00 57.88 58.74 1imu h LEU 24 Cb 0.81 0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 41.03 1imu h LEU 24 CO -0.40 -0.35 0.56 0.00 -0.13 0.00 0.00 178.44 178.12 1imu h ALA 25 N -0.07 2.55 -0.08 1.25 0.00 0.16 0.55 119.26 123.62 1imu h ALA 25 Ca -0.06 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 1imu h ALA 25 Cb 0.47 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.30 1imu h ALA 25 CO 0.10 -0.78 -0.83 -0.22 0.00 0.00 0.00 179.25 177.52 1imu h LYS 26 N 0.13 0.59 0.00 0.00 1.63 0.55 -2.96 116.57 116.51 1imu h LYS 26 Ca 0.39 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1imu h LYS 26 Cb 1.34 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 1imu h LYS 26 CO -0.06 1.15 0.00 1.28 -3.45 0.00 0.00 179.45 178.37 1imu n LEU 27 N -3.86 0.00 -0.08 5.20 4.77 0.16 -3.36 117.00 119.83 1imu n LEU 27 Ca -0.07 0.47 -0.14 0.00 -0.03 0.00 0.00 56.01 56.24 1imu n LEU 27 Cb 0.77 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1imu n LEU 27 CO 0.51 -0.05 0.45 1.23 -1.33 0.00 0.00 177.39 178.21 1imu h GLY 28 N 4.46 0.95 2.00 -0.72 0.00 -0.41 -2.95 103.07 106.41 1imu h GLY 28 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 47.33 46.24 1imu h GLY 28 CO 0.00 0.98 -0.01 1.70 0.00 0.00 0.00 176.54 179.21 1imu h LYS 29 N 0.67 0.00 -7.17 4.80 3.64 -1.65 -3.42 116.57 113.43 1imu h LYS 29 Ca 0.02 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.86 1imu h LYS 29 Cb 1.13 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 33.12 1imu h LYS 29 CO 0.12 0.01 0.40 -1.58 -2.27 0.00 0.00 179.45 176.13 1imu s TRP 30 N -4.74 1.88 0.00 1.91 0.52 -1.12 -4.75 118.94 112.65 1imu s TRP 30 Ca -0.05 1.61 -0.24 0.00 0.02 0.00 0.00 56.10 57.44 1imu s TRP 30 Cb 0.16 -3.56 -0.30 0.00 -1.15 0.00 0.00 33.47 28.61 1imu s TRP 30 CO 0.59 -2.90 1.46 1.04 0.02 0.00 0.00 176.95 177.16 1imu n GLN 31 N -2.82 0.00 -3.53 4.98 3.00 -1.26 -4.68 117.38 113.07 1imu n GLN 31 Ca 0.14 -0.89 -0.08 0.00 -0.01 0.00 0.00 57.00 56.17 1imu n GLN 31 Cb 0.50 -2.38 -0.02 0.00 0.00 0.00 0.00 30.24 28.33 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 6.55 0.00 -0.57 5.09 2.01 -1.26 -4.87 115.64 122.60 1imu s THR 32 Ca 0.54 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.58 1imu s THR 32 Cb 0.12 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.78 1imu s THR 32 CO 0.27 0.00 0.38 0.00 -0.69 0.00 0.00 174.62 174.58 1imu s GLN 33 N -2.79 1.84 -0.37 4.92 0.00 -1.26 -4.87 119.66 117.13 1imu s GLN 33 Ca 0.05 -2.72 -0.33 0.00 -0.00 0.00 0.00 55.36 52.37 1imu s GLN 33 Cb -0.01 -2.77 -0.14 0.00 0.00 0.00 0.00 33.01 30.09 1imu s GLN 33 CO -0.07 -1.26 1.57 1.28 0.00 0.00 0.00 175.29 176.81 1imu n LEU 34 N 2.63 0.56 -4.48 2.60 4.32 -1.26 -4.56 117.00 116.82 1imu n LEU 34 Ca 0.17 0.51 -0.43 0.00 -0.02 0.00 0.00 56.01 56.24 1imu n LEU 34 Cb 0.37 -0.66 -0.03 0.00 -1.62 0.00 0.00 43.42 41.48 1imu n LEU 34 CO 0.24 -0.57 1.09 -0.63 -1.22 0.00 0.00 177.39 176.30 1imu s ILE 35 N 4.39 4.53 -0.17 -0.08 1.01 0.36 -4.61 121.20 126.62 1imu s ILE 35 Ca 0.88 -1.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1imu s ILE 35 Cb -1.11 -4.84 0.00 0.00 0.01 0.00 0.00 42.46 36.52 1imu s ILE 35 CO 0.49 -1.61 0.01 -0.24 0.00 0.00 0.00 174.94 173.60 1imu n SER 36 N 7.13 -7.06 -4.84 3.58 2.88 -1.26 -3.43 113.62 110.62 1imu n SER 36 Ca 0.25 1.03 -0.37 0.00 -1.33 0.00 0.00 58.87 58.45 1imu n SER 36 Cb 0.49 -3.77 -0.06 0.00 -0.75 0.00 0.00 64.21 60.13 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 -1.28 3.89 0.32 -1.46 0.04 -1.26 -4.28 135.00 130.97 1imu s PRO 37 Ca -0.02 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.44 1imu s PRO 37 Cb 0.00 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 1imu s PRO 37 CO 0.46 0.66 0.06 -1.01 0.04 0.00 0.00 177.00 177.21 1imu s HIS 38 N -1.16 1.92 -0.29 0.56 3.76 -0.58 -0.14 115.29 119.36 1imu s HIS 38 Ca 0.26 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1imu s HIS 38 Cb -0.16 -1.24 0.16 0.00 1.11 0.00 0.00 32.58 32.45 1imu s HIS 38 CO 0.15 -0.02 0.42 -0.06 -0.85 0.00 0.00 174.74 174.37 1imu s PHE 39 N -3.34 -1.07 -0.92 1.40 0.40 0.28 -2.95 117.98 111.78 1imu s PHE 39 Ca 0.37 0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 56.88 1imu s PHE 39 Cb 0.09 -0.13 0.13 0.00 0.51 0.00 0.00 43.02 43.62 1imu s PHE 39 CO 0.15 -0.99 1.12 0.08 0.70 0.00 0.00 175.22 176.28 1imu s VAL 40 N 2.56 4.73 0.08 -0.44 1.01 0.31 -2.48 120.40 126.16 1imu s VAL 40 Ca 0.10 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.41 1imu s VAL 40 Cb -0.12 -4.78 -0.06 0.00 0.00 0.00 0.00 36.38 31.42 1imu s VAL 40 CO -0.30 -1.50 0.42 -1.48 0.00 0.00 0.00 175.10 172.23 1imu s LEU 41 N 2.69 4.36 0.21 3.92 2.34 -1.26 0.11 118.68 131.05 1imu s LEU 41 Ca 0.32 0.84 -0.12 0.00 0.06 0.00 0.00 54.13 55.23 1imu s LEU 41 Cb -0.05 -2.97 0.00 0.00 -0.56 0.00 0.00 46.19 42.61 1imu s LEU 41 CO -0.09 0.18 0.41 0.20 -1.06 0.00 0.00 176.35 175.99 1imu s ASN 42 N -1.68 -0.08 0.28 1.48 0.01 0.38 -3.37 114.94 111.97 1imu s ASN 42 Ca 0.33 -0.82 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 1imu s ASN 42 Cb -0.14 0.53 -0.06 0.00 0.41 0.00 0.00 41.25 41.99 1imu s ASN 42 CO 0.18 -1.03 0.04 -0.75 -1.51 0.00 0.00 177.10 174.03 1imu s LYS 43 N -3.97 1.51 0.06 -0.60 2.20 -1.26 -0.17 119.74 117.52 1imu s LYS 43 Ca 0.18 -1.81 -0.26 0.00 -0.36 0.00 0.00 55.97 53.72 1imu s LYS 43 Cb 0.01 -0.70 0.08 0.00 -1.51 0.00 0.00 37.83 35.71 1imu s LYS 43 CO 0.03 -0.17 0.71 0.14 -0.36 0.00 0.00 175.35 175.70 1imu s VAL 44 N -3.40 0.00 0.29 4.02 -7.23 0.31 -4.65 120.40 109.73 1imu s VAL 44 Ca 0.34 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.56 1imu s VAL 44 Cb 0.07 -1.00 0.29 0.00 0.56 0.00 0.00 36.38 36.30 1imu s VAL 44 CO 0.13 0.00 1.75 -0.65 -0.31 0.00 0.00 175.10 176.02 1imu h PRO 45 N 2.20 0.61 -0.00 4.82 0.11 -2.02 0.35 132.00 138.07 1imu h PRO 45 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1imu h PRO 45 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1imu h PRO 45 CO 0.36 0.40 -0.00 0.09 -0.21 0.00 0.00 178.00 178.64 1imu n ASN 46 N -4.87 0.11 0.00 -2.05 5.03 -1.26 -4.99 115.26 107.24 1imu n ASN 46 Ca 0.22 -0.98 0.00 0.00 0.87 0.00 0.00 54.58 54.70 1imu n ASN 46 Cb 0.59 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.33 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1imu n GLY 47 N 1.03 -0.06 3.08 7.41 0.00 0.12 -4.40 105.19 112.39 1imu n GLY 47 Ca 0.23 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.00 1.59 -0.18 1.61 0.40 0.53 0.11 117.98 118.05 1imu s PHE 48 Ca 0.00 -0.51 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1imu s PHE 48 Cb 0.00 -1.11 -0.01 0.00 0.51 0.00 0.00 43.02 42.42 1imu s PHE 48 CO 0.00 -0.22 -0.11 -1.54 0.70 0.00 0.00 175.22 174.06 1imu s SER 49 N 0.30 3.95 -0.07 1.36 1.04 0.76 -0.39 113.70 120.66 1imu s SER 49 Ca -0.09 -0.42 0.03 0.00 0.48 0.00 0.00 55.95 55.95 1imu s SER 49 Cb -0.13 -1.64 0.01 0.00 0.10 0.00 0.00 66.02 64.36 1imu s SER 49 CO 0.03 0.06 -0.15 -0.69 0.98 0.00 0.00 173.24 173.46 1imu s VAL 50 N 1.00 1.37 -0.06 5.02 1.01 0.97 0.14 120.40 129.84 1imu s VAL 50 Ca -0.01 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1imu s VAL 50 Cb -0.15 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1imu s VAL 50 CO -0.01 0.41 -0.07 -0.70 0.00 0.00 0.00 175.10 174.72 1imu s GLU 51 N 0.56 1.22 0.20 2.72 2.12 0.12 -0.05 118.70 125.60 1imu s GLU 51 Ca -0.15 -0.22 0.09 0.00 0.36 0.00 0.00 54.97 55.05 1imu s GLU 51 Cb -0.16 -1.15 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1imu s GLU 51 CO 0.05 -0.08 -0.09 0.00 -0.54 0.00 0.00 175.26 174.60 1imu s ALA 52 N 0.99 2.94 -0.26 6.30 0.00 0.72 0.11 121.76 132.57 1imu s ALA 52 Ca -0.09 -1.52 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 1imu s ALA 52 Cb -0.15 -0.70 0.12 0.00 0.00 0.00 0.00 23.12 22.40 1imu s ALA 52 CO 0.00 0.43 0.29 -1.12 0.00 0.00 0.00 175.76 175.36 1imu s SER 53 N -2.96 1.39 0.48 0.00 0.01 -1.15 0.06 113.70 111.52 1imu s SER 53 Ca 0.26 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1imu s SER 53 Cb -0.08 0.57 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 1imu s SER 53 CO 0.16 -0.36 0.01 -0.63 0.41 0.00 0.00 173.24 172.83 1imu s ILE 54 N 2.38 1.30 0.02 1.44 1.01 0.31 -1.53 121.20 126.13 1imu s ILE 54 Ca 0.09 -2.00 0.01 0.00 0.00 0.00 0.00 60.65 58.75 1imu s ILE 54 Cb -0.15 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1imu s ILE 54 CO -0.25 0.00 -0.05 -0.83 0.00 0.00 0.00 174.94 173.81 1imu s GLY 55 N -3.82 0.29 -0.02 6.18 0.00 -1.22 0.16 107.32 108.89 1imu s GLY 55 Ca 0.13 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.41 1imu s GLY 55 CO 0.07 -0.49 -0.08 -0.51 0.00 0.00 0.00 173.10 172.09 1imu s THR 56 N -0.87 0.64 0.65 0.90 -4.23 0.22 0.14 115.64 113.09 1imu s THR 56 Ca -0.07 -0.31 0.26 0.00 -1.18 0.00 0.00 61.69 60.39 1imu s THR 56 Cb -0.06 -0.56 0.27 0.00 1.34 0.00 0.00 72.50 73.49 1imu s THR 56 CO -0.00 0.20 1.78 -0.65 -0.54 0.00 0.00 174.62 175.41 1imu h PRO 57 N 6.24 0.00 -0.52 3.99 0.11 -1.99 0.97 132.00 140.80 1imu h PRO 57 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1imu h PRO 57 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1imu h PRO 57 CO 0.49 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.56 1imu n LEU 58 N -2.97 3.41 0.00 2.35 4.32 -1.26 -5.02 117.00 117.82 1imu n LEU 58 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 56.01 54.08 1imu n LEU 58 Cb 0.53 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 1imu n LEU 58 CO 0.14 0.84 0.00 0.61 -1.22 0.00 0.00 177.39 177.76 1imu n GLY 59 N 1.12 3.96 3.90 -0.72 0.00 0.33 -4.76 105.19 109.04 1imu n GLY 59 Ca 0.18 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 1imu n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1imu s ASN 60 N 0.00 4.43 -0.02 1.61 -0.87 -1.26 0.69 114.94 119.51 1imu s ASN 60 Ca 0.00 0.73 0.01 0.00 -1.57 0.00 0.00 52.86 52.03 1imu s ASN 60 Cb 0.00 -1.20 0.02 0.00 -0.02 0.00 0.00 41.25 40.05 1imu s ASN 60 CO 0.00 -1.95 -0.02 -0.76 -2.57 0.00 0.00 177.10 171.80 1imu s LEU 61 N -5.58 1.48 -0.06 0.60 1.43 0.41 -4.72 118.68 112.23 1imu s LEU 61 Ca 0.63 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 1imu s LEU 61 Cb -0.11 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.88 1imu s LEU 61 CO 0.49 -0.04 0.39 -0.76 0.23 0.00 0.00 176.35 176.66 1imu s LEU 62 N 0.63 0.54 0.16 1.79 1.43 -1.26 0.11 118.68 122.08 1imu s LEU 62 Ca -0.07 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.21 1imu s LEU 62 Cb -0.10 1.47 0.05 0.00 0.03 0.00 0.00 46.19 47.64 1imu s LEU 62 CO -0.01 -0.38 0.53 0.00 0.23 0.00 0.00 176.35 176.72 1imu s ALA 63 N -0.87 -1.28 -0.28 4.21 0.00 0.11 -4.64 121.76 119.00 1imu s ALA 63 Ca -0.09 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 1imu s ALA 63 Cb -0.04 0.82 0.11 0.00 0.00 0.00 0.00 23.12 24.01 1imu s ALA 63 CO 0.04 -0.75 0.87 -1.54 0.00 0.00 0.00 175.76 174.38 1imu s SER 64 N -2.79 -0.66 -0.02 0.00 1.04 -1.25 -0.20 113.70 109.82 1imu s SER 64 Ca 0.03 1.12 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 1imu s SER 64 Cb -0.00 1.22 0.03 0.00 0.10 0.00 0.00 66.02 67.37 1imu s SER 64 CO -0.10 -0.18 0.39 0.00 0.98 0.00 0.00 173.24 174.32 1imu s ALA 65 N 1.07 -0.99 -0.08 5.32 0.00 0.93 -4.92 121.76 123.10 1imu s ALA 65 Ca -0.06 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1imu s ALA 65 Cb -0.05 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1imu s ALA 65 CO -0.13 -0.28 -0.15 0.99 0.00 0.00 0.00 175.76 176.19 1imu s THR 66 N -1.28 1.36 0.10 0.00 2.01 -1.26 -0.02 115.64 116.55 1imu s THR 66 Ca -0.13 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.01 1imu s THR 66 Cb -0.04 -1.22 0.08 0.00 0.01 0.00 0.00 72.50 71.33 1imu s THR 66 CO 0.05 0.40 0.78 -0.44 -0.69 0.00 0.00 174.62 174.73 1imu s SER 67 N 0.61 -0.40 0.00 3.53 0.01 0.48 -4.91 113.70 113.02 1imu s SER 67 Ca -0.15 -0.11 0.15 0.00 1.31 0.00 0.00 55.95 57.15 1imu s SER 67 Cb -0.16 0.51 0.90 0.00 0.21 0.00 0.00 66.02 67.47 1imu s SER 67 CO 0.05 -0.85 1.58 -0.67 0.41 0.00 0.00 173.24 173.75 1imu n ASP 68 N -0.34 0.04 -4.00 2.44 2.03 -1.26 0.20 116.55 115.66 1imu n ASP 68 Ca -0.11 -1.53 -0.31 0.00 0.52 0.00 0.00 54.79 53.36 1imu n ASP 68 Cb 0.63 -0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.87 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1imu s ASP 69 N -1.47 4.70 0.00 1.67 1.01 -1.26 -4.84 116.67 116.48 1imu s ASP 69 Ca 0.23 -2.16 0.00 0.00 0.71 0.00 0.00 52.55 51.32 1imu s ASP 69 Cb 0.11 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.45 1imu s ASP 69 CO 0.18 -0.38 0.94 0.23 0.21 0.00 0.00 175.17 176.35 1imu n MET 70 N 4.24 0.00 0.27 8.23 2.81 -1.26 0.16 117.12 131.57 1imu n MET 70 Ca 0.04 0.94 0.14 0.00 -1.81 0.00 0.00 57.70 57.00 1imu n MET 70 Cb 0.42 -1.41 0.77 0.00 -0.71 0.00 0.00 33.22 32.28 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 -0.08 2.03 -1.99 -1.97 0.01 116.97 114.98 1imu h TYR 71 Ca 0.00 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.51 1imu h TYR 71 Cb 0.00 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.74 1imu h TYR 71 CO -0.87 0.10 -0.86 -0.22 -0.00 0.00 0.00 178.16 176.31 1imu h LYS 72 N 0.00 0.62 -0.30 4.88 3.64 -1.40 1.55 116.57 125.56 1imu h LYS 72 Ca -0.00 -0.56 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 1imu h LYS 72 Cb 0.29 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1imu h LYS 72 CO 0.01 1.18 0.14 0.00 -2.27 0.00 0.00 179.45 178.51 1imu h ALA 73 N 0.64 0.39 -0.59 5.00 0.00 0.26 1.68 119.26 126.64 1imu h ALA 73 Ca -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1imu h ALA 73 Cb 1.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1imu h ALA 73 CO 0.16 -0.04 0.17 0.82 0.00 0.00 0.00 179.25 180.36 1imu h ILE 74 N 0.35 1.23 -0.79 0.00 5.03 -0.93 0.31 117.51 122.70 1imu h ILE 74 Ca 0.10 -0.80 0.05 0.00 -0.12 0.00 0.00 64.86 64.09 1imu h ILE 74 Cb 0.14 0.60 -0.06 0.00 -3.03 0.00 0.00 36.82 34.47 1imu h ILE 74 CO -0.01 0.31 0.48 -1.13 -0.68 0.00 0.00 178.15 177.12 1imu h ASN 75 N 0.86 0.76 0.18 1.72 -0.73 0.42 0.16 115.58 118.96 1imu h ASN 75 Ca 0.19 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1imu h ASN 75 Cb 0.27 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1imu h ASN 75 CO -0.01 0.49 -0.09 -0.08 -0.37 0.00 0.00 177.43 177.38 1imu h GLU 76 N 0.90 -0.24 -0.46 6.67 4.22 0.37 -2.52 114.58 123.52 1imu h GLU 76 Ca 0.34 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.89 1imu h GLU 76 Cb 0.14 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1imu h GLU 76 CO -0.16 0.15 -0.27 0.28 -2.18 0.00 0.00 179.01 176.83 1imu h VAL 77 N -0.73 0.28 -0.69 0.32 2.07 -0.11 0.69 116.25 118.09 1imu h VAL 77 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1imu h VAL 77 Cb 0.50 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1imu h VAL 77 CO 0.04 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 178.01 1imu h GLU 78 N -0.18 0.40 -0.51 1.57 4.81 -0.74 0.36 114.58 120.28 1imu h GLU 78 Ca 0.21 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1imu h GLU 78 Cb 0.51 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1imu h GLU 78 CO -0.56 0.26 0.08 1.49 -0.73 0.00 0.00 179.01 179.55 1imu h GLU 79 N 0.41 0.86 0.38 1.92 4.57 0.73 0.52 114.58 123.97 1imu h GLU 79 Ca 0.33 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1imu h GLU 79 Cb 0.72 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1imu h GLU 79 CO -0.10 0.85 -0.18 0.87 -1.18 0.00 0.00 179.01 179.26 1imu h LYS 80 N 0.74 -0.50 -0.66 1.92 1.79 0.18 0.35 116.57 120.40 1imu h LYS 80 Ca 0.16 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.75 1imu h LYS 80 Cb 0.41 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1imu h LYS 80 CO 0.01 -0.21 0.30 -0.07 -1.08 0.00 0.00 179.45 178.40 1imu h LEU 81 N -0.75 0.35 -0.14 2.94 -0.00 -0.38 0.28 115.31 117.62 1imu h LEU 81 Ca -0.05 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1imu h LEU 81 Cb 0.51 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1imu h LEU 81 CO 0.09 0.21 0.02 -0.08 -0.00 0.00 0.00 178.44 178.67 1imu h GLU 82 N 0.51 0.23 -0.42 1.13 4.81 0.14 0.16 114.58 121.14 1imu h GLU 82 Ca 0.33 -0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 1imu h GLU 82 Cb 0.37 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.66 1imu h GLU 82 CO -0.28 0.43 0.04 0.00 -0.73 0.00 0.00 179.01 178.47 1imu h ARG 83 N -0.01 0.15 -0.80 1.92 2.47 0.43 0.28 114.38 118.83 1imu h ARG 83 Ca 0.04 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1imu h ARG 83 Cb 0.32 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.56 1imu h ARG 83 CO 0.00 0.10 0.47 1.96 0.56 0.00 0.00 179.97 183.06 1imu h GLN 84 N 0.15 1.09 0.37 0.04 4.20 -0.32 0.24 115.11 120.89 1imu h GLN 84 Ca 0.21 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1imu h GLN 84 Cb 0.28 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1imu h GLN 84 CO -0.31 0.78 -0.34 -0.07 -0.67 0.00 0.00 178.83 178.22 1imu h LEU 85 N 1.10 -0.92 -0.76 1.46 3.38 0.12 0.61 115.31 120.30 1imu h LEU 85 Ca 0.28 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.37 1imu h LEU 85 Cb -0.02 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1imu h LEU 85 CO -0.05 -0.49 0.47 -1.13 0.09 0.00 0.00 178.44 177.33 1imu h ASN 86 N -0.73 0.76 -0.23 -0.43 -1.24 -0.26 0.13 115.58 113.58 1imu h ASN 86 Ca -0.03 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 56.99 1imu h ASN 86 Cb 0.65 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 1imu h ASN 86 CO -0.05 0.51 0.14 0.50 -1.29 0.00 0.00 177.43 177.24 1imu h LYS 87 N 0.90 0.31 0.32 6.67 1.63 0.03 0.46 116.57 126.88 1imu h LYS 87 Ca 0.31 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 1imu h LYS 87 Cb 0.07 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1imu h LYS 87 CO -0.13 0.25 -0.15 1.37 -3.45 0.00 0.00 179.45 177.34 1imu h LEU 88 N 0.28 -0.36 -1.94 5.20 8.10 0.72 0.97 115.31 128.28 1imu h LEU 88 Ca 0.08 -0.10 0.04 0.00 0.11 0.00 0.00 57.88 58.02 1imu h LEU 88 Cb 0.02 0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.33 1imu h LEU 88 CO -0.02 -0.12 0.13 1.56 -4.11 0.00 0.00 178.44 175.89 1imu h GLN 89 N -0.60 0.07 -0.05 0.17 4.20 -0.93 -1.42 115.11 116.54 1imu h GLN 89 Ca -0.04 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 1imu h GLN 89 Cb 0.44 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1imu h GLN 89 CO 0.07 0.05 -0.68 0.45 -0.67 0.00 0.00 178.83 178.04 1imu h HIS 90 N 0.07 0.78 -2.85 2.96 3.86 0.44 -3.46 115.15 116.95 1imu h HIS 90 Ca 0.09 -0.39 -0.55 0.00 -1.16 0.00 0.00 60.37 58.35 1imu h HIS 90 Cb 0.25 -0.10 0.21 0.00 1.06 0.00 0.00 27.41 28.83 1imu h HIS 90 CO -0.00 1.20 -0.90 1.17 0.86 0.00 0.00 177.93 180.26 1imu n LYS 91 N -4.12 0.00 0.00 2.45 4.81 0.33 -4.88 118.16 116.75 1imu n LYS 91 Ca -0.09 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1imu n LYS 91 Cb 0.70 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.20 1imu n LYS 91 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1imu n SER 92 N 0.60 0.00 -0.71 3.14 7.64 -1.26 -4.98 113.62 118.05 1imu n SER 92 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1imu n SER 92 Cb 0.52 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 1imu n SER 92 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1imu n GLU 93 N -1.60 0.00 -2.71 1.43 -0.58 -1.26 -5.00 120.64 110.91 1imu n GLU 93 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1imu n GLU 93 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 1imu n GLU 93 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1imu n SER 94 N -2.71 -5.92 0.02 1.62 7.64 -1.26 -5.03 113.62 107.98 1imu n SER 94 Ca 0.00 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1imu n SER 94 Cb 0.00 -5.13 0.00 0.00 -1.01 0.00 0.00 64.21 58.07 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 1.03 0.00 -2.58 1.43 0.63 -1.26 -5.03 116.66 110.89 1imu n ARG 95 Ca -0.12 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.62 1imu n ARG 95 Cb 0.20 -0.36 -0.00 0.00 0.45 0.00 0.00 32.46 32.75 1imu n ARG 95 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1imu n ARG 96 N -3.01 -2.50 -0.04 -0.14 5.12 -1.26 -4.83 116.66 109.99 1imu n ARG 96 Ca 0.00 0.88 -0.03 0.00 -1.93 0.00 0.00 57.85 56.76 1imu n ARG 96 Cb 0.27 -5.57 -0.06 0.00 -1.16 0.00 0.00 32.46 25.94 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1imu n ALA 97 N -2.43 1.85 -3.43 7.54 0.00 -1.26 -4.96 120.51 117.81 1imu n ALA 97 Ca -0.19 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 52.60 1imu n ALA 97 Cb 0.65 0.05 -0.11 0.00 0.00 0.00 0.00 19.45 20.05 1imu n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1imu s ASP 98 N -3.89 1.25 -1.09 0.00 1.01 -1.26 -5.08 116.67 107.61 1imu s ASP 98 Ca -0.04 -0.32 -0.10 0.00 0.71 0.00 0.00 52.55 52.80 1imu s ASP 98 Cb 0.03 0.58 0.26 0.00 1.01 0.00 0.00 42.92 44.79 1imu s ASP 98 CO 0.33 -0.34 1.11 -0.70 0.21 0.00 0.00 175.17 175.78 1imu s GLU 99 N 2.38 4.11 0.00 8.23 -6.30 -1.26 -4.39 118.70 121.48 1imu s GLU 99 Ca 0.09 -3.03 0.00 0.00 -2.50 0.00 0.00 54.97 49.53 1imu s GLU 99 Cb -0.15 -4.61 0.00 0.00 0.00 0.00 0.00 34.13 29.37 1imu s GLU 99 CO -0.20 -1.32 0.00 -2.13 0.02 0.00 0.00 175.26 171.62 1imu n ARG 100 N 3.29 0.00 0.00 4.30 0.63 -1.26 -5.16 116.66 118.46 1imu n ARG 100 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1imu n ARG 100 Cb 0.41 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.29 1imu n ARG 100 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1imu n LEU 101 N -1.85 0.00 -3.09 6.15 -0.00 -1.26 -4.90 117.00 112.05 1imu n LEU 101 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.05 1imu n LEU 101 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1imu n LEU 101 CO 0.00 -0.25 0.43 -0.75 -0.00 0.00 0.00 177.39 176.82 1imu s LYS 102 N 0.00 0.24 0.41 1.47 2.20 -1.26 -5.16 119.74 117.64 1imu s LYS 102 Ca 0.00 0.15 -0.24 0.00 -0.36 0.00 0.00 55.97 55.52 1imu s LYS 102 Cb 0.00 0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 1imu s LYS 102 CO 0.00 -0.43 1.12 0.16 -0.36 0.00 0.00 175.35 175.84 1imu s ASP 103 N 2.72 6.58 0.00 1.43 -4.77 -1.26 -4.84 116.67 116.53 1imu s ASP 103 Ca 0.22 2.21 0.00 0.00 -3.30 0.00 0.00 52.55 51.69 1imu s ASP 103 Cb -0.02 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.21 1imu s ASP 103 CO -0.21 -0.63 0.00 -0.24 0.70 0.00 0.00 175.17 174.79 1imu n SER 104 N -0.05 0.00 0.15 2.11 2.88 -1.26 -4.94 113.62 112.52 1imu n SER 104 Ca 0.05 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.61 1imu n SER 104 Cb 0.48 0.16 0.38 0.00 -0.75 0.00 0.00 64.21 64.48 1imu n SER 104 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1imu h PHE 105 N 0.00 0.15 0.00 0.66 3.57 -2.09 -3.27 116.94 115.97 1imu h PHE 105 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1imu h PHE 105 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1imu h PHE 105 CO 0.00 0.36 0.00 0.39 -2.23 0.00 0.00 178.31 176.83 1imu n GLU 106 N -4.22 0.00 0.00 1.11 1.02 -1.26 -5.35 120.64 111.95 1imu n GLU 106 Ca -0.01 0.41 0.12 0.00 -0.02 0.00 0.00 57.16 57.66 1imu n GLU 106 Cb 0.32 -1.41 0.10 0.00 -0.02 0.00 0.00 31.44 30.43 1imu n GLU 106 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58