#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imu s THR 2 N 0.00 4.66 -0.22 3.17 -4.23 -1.26 -4.94 115.64 112.82 1imu s THR 2 Ca 0.00 1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 61.97 1imu s THR 2 Cb 0.00 -4.29 -0.04 0.00 1.34 0.00 0.00 72.50 69.51 1imu s THR 2 CO 0.00 -0.27 1.93 -0.22 -0.54 0.00 0.00 174.62 175.52 1imu s LEU 3 N 3.26 3.68 0.57 4.79 0.20 -1.26 -4.69 118.68 125.23 1imu s LEU 3 Ca 0.41 1.76 -0.08 0.00 0.69 0.00 0.00 54.13 56.91 1imu s LEU 3 Cb -0.14 -3.52 -0.02 0.00 -0.43 0.00 0.00 46.19 42.08 1imu s LEU 3 CO 0.10 -1.62 0.92 0.20 -0.29 0.00 0.00 176.35 175.65 1imu s ASN 4 N 6.30 5.98 0.35 3.68 0.01 0.11 -4.85 114.94 126.51 1imu s ASN 4 Ca 0.87 1.02 0.03 0.00 -0.71 0.00 0.00 52.86 54.07 1imu s ASN 4 Cb -0.29 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 1imu s ASN 4 CO 0.34 -0.87 0.12 0.27 -1.51 0.00 0.00 177.10 175.45 1imu s ILE 5 N -2.99 0.61 0.21 0.60 -0.00 -1.26 -0.61 121.20 117.76 1imu s ILE 5 Ca 0.52 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 59.17 1imu s ILE 5 Cb -0.11 -2.51 0.00 0.00 -0.00 0.00 0.00 42.46 39.84 1imu s ILE 5 CO 0.48 0.00 0.00 0.41 -0.00 0.00 0.00 174.94 175.83 1imu n THR 6 N -0.72 0.00 -2.71 8.37 -1.04 -1.22 -4.89 114.28 112.07 1imu n THR 6 Ca -0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1imu n THR 6 Cb 0.65 -0.14 -0.03 0.00 -1.82 0.00 0.00 70.33 68.99 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 -3.04 -2.78 0.28 8.00 3.41 -1.25 -4.80 113.62 113.44 1imu n SER 7 Ca 0.00 1.28 0.18 0.00 -0.26 0.00 0.00 58.87 60.07 1imu n SER 7 Cb 0.00 -4.65 0.95 0.00 -0.26 0.00 0.00 64.21 60.25 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 4.08 0.00 0.00 4.33 2.10 -1.96 -3.41 116.57 121.70 1imu h LYS 8 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1imu h LYS 8 Cb 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1imu h LYS 8 CO 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.47 1imu n GLN 9 N -3.53 0.00 -1.54 0.07 10.64 -1.26 -5.03 117.38 116.73 1imu n GLN 9 Ca -0.01 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.72 1imu n GLN 9 Cb 0.21 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.54 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 -0.07 1.43 -0.11 2.61 0.00 -1.26 -4.93 117.12 114.78 1imu n MET 10 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 57.70 57.91 1imu n MET 10 Cb 0.00 -2.99 0.11 0.00 0.00 0.00 0.00 33.22 30.33 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 12.06 -2.67 -4.90 3.17 9.92 -1.26 -4.69 116.55 128.18 1imu n ASP 11 Ca 0.36 -0.37 -0.30 0.00 -0.53 0.00 0.00 54.79 53.95 1imu n ASP 11 Cb 0.39 -0.37 -0.04 0.00 -0.64 0.00 0.00 41.12 40.46 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1imu s ILE 12 N -1.44 5.25 0.20 0.53 -0.00 -1.26 -5.02 121.20 119.45 1imu s ILE 12 Ca 0.25 -0.51 -0.02 0.00 -0.00 0.00 0.00 60.65 60.37 1imu s ILE 12 Cb -0.04 -3.59 -0.04 0.00 -0.00 0.00 0.00 42.46 38.79 1imu s ILE 12 CO 0.21 0.09 0.15 0.42 -0.00 0.00 0.00 174.94 175.81 1imu s THR 13 N -1.55 0.01 0.57 8.37 -4.23 -1.26 -4.98 115.64 112.58 1imu s THR 13 Ca 0.34 -1.93 0.37 0.00 -1.18 0.00 0.00 61.69 59.28 1imu s THR 13 Cb -0.12 -2.42 0.53 0.00 1.34 0.00 0.00 72.50 71.83 1imu s THR 13 CO 0.27 -0.05 1.61 -0.65 -0.54 0.00 0.00 174.62 175.26 1imu h PRO 14 N 2.62 0.00 0.00 3.99 0.11 -1.99 -0.57 132.00 136.15 1imu h PRO 14 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1imu h PRO 14 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1imu h PRO 14 CO 0.52 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.31 1imu n ALA 15 N -2.60 0.00 -0.26 -0.75 0.00 -1.26 -2.62 120.51 113.02 1imu n ALA 15 Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.75 1imu n ALA 15 Cb 1.46 0.00 0.13 0.00 0.00 0.00 0.00 19.45 21.04 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 0.28 -0.71 0.00 -2.65 -1.95 0.32 117.51 112.81 1imu h ILE 16 Ca 0.00 -0.02 0.11 0.00 1.03 0.00 0.00 64.86 65.98 1imu h ILE 16 Cb 0.00 0.23 -0.12 0.00 -2.05 0.00 0.00 36.82 34.88 1imu h ILE 16 CO 0.00 0.01 -0.42 -0.09 0.03 0.00 0.00 178.15 177.68 1imu h ARG 17 N 0.05 -0.14 -0.78 0.16 2.43 -1.27 1.41 114.38 116.24 1imu h ARG 17 Ca 0.39 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1imu h ARG 17 Cb 0.66 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1imu h ARG 17 CO -0.73 -0.09 0.37 1.49 -1.51 0.00 0.00 179.97 179.50 1imu h GLU 18 N -0.14 1.12 0.05 0.20 4.57 -0.45 0.21 114.58 120.14 1imu h GLU 18 Ca 0.23 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1imu h GLU 18 Cb 0.56 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1imu h GLU 18 CO -0.77 0.87 -0.02 1.25 -1.18 0.00 0.00 179.01 179.15 1imu h HIS 19 N 1.11 -0.06 -0.66 0.92 2.76 0.38 0.99 115.15 120.59 1imu h HIS 19 Ca 0.27 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.57 1imu h HIS 19 Cb 0.12 0.02 -0.13 0.00 1.55 0.00 0.00 27.41 28.98 1imu h HIS 19 CO 0.01 -0.04 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.32 1imu h LEU 20 N -0.07 -0.79 0.58 0.26 3.38 0.15 1.02 115.31 119.84 1imu h LEU 20 Ca -0.01 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1imu h LEU 20 Cb 0.05 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1imu h LEU 20 CO 0.01 -0.25 -0.45 -0.33 0.09 0.00 0.00 178.44 177.51 1imu h GLU 21 N -0.05 -0.97 -0.91 1.13 5.08 -0.56 0.80 114.58 119.10 1imu h GLU 21 Ca 0.30 0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.92 1imu h GLU 21 Cb 0.52 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 1imu h GLU 21 CO -0.70 -0.64 0.59 0.93 -1.00 0.00 0.00 179.01 178.19 1imu h GLU 22 N -1.00 0.50 -0.00 2.33 5.08 0.23 0.39 114.58 122.10 1imu h GLU 22 Ca -0.07 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1imu h GLU 22 Cb 0.85 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1imu h GLU 22 CO 0.01 0.33 0.00 -0.09 -1.00 0.00 0.00 179.01 178.25 1imu h ARG 23 N 0.51 0.00 -0.58 2.33 1.12 0.20 0.45 114.38 118.41 1imu h ARG 23 Ca 0.48 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 59.32 1imu h ARG 23 Cb 1.04 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.97 1imu h ARG 23 CO -0.21 0.07 0.26 1.25 -3.11 0.00 0.00 179.97 178.23 1imu h LEU 24 N -0.07 0.77 -1.53 3.80 7.12 0.15 0.31 115.31 125.86 1imu h LEU 24 Ca 0.00 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 57.86 1imu h LEU 24 Cb 0.07 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 1imu h LEU 24 CO -0.00 0.70 0.25 0.00 -0.13 0.00 0.00 178.44 179.26 1imu h ALA 25 N 1.10 1.65 -0.10 1.25 0.00 0.00 0.29 119.26 123.46 1imu h ALA 25 Ca 0.20 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1imu h ALA 25 Cb 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1imu h ALA 25 CO -0.02 0.31 -0.75 -0.22 0.00 0.00 0.00 179.25 178.56 1imu h LYS 26 N 0.57 0.68 0.00 0.00 3.11 0.77 -2.96 116.57 118.75 1imu h LYS 26 Ca 0.15 -0.60 0.00 0.00 -2.81 0.00 0.00 60.65 57.39 1imu h LYS 26 Cb -0.02 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1imu h LYS 26 CO -0.03 1.21 0.00 1.28 -2.81 0.00 0.00 179.45 179.10 1imu n LEU 27 N -4.02 0.00 0.23 5.20 4.77 0.10 -2.99 117.00 120.30 1imu n LEU 27 Ca -0.09 0.49 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 1imu n LEU 27 Cb 0.73 -0.49 0.54 0.00 -2.33 0.00 0.00 43.42 41.88 1imu n LEU 27 CO 0.52 -0.15 0.92 1.23 -1.33 0.00 0.00 177.39 178.58 1imu h GLY 28 N 3.47 0.00 2.00 -0.72 0.00 -0.26 -1.10 103.07 106.46 1imu h GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1imu h GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.12 1imu n LYS 29 N -4.24 0.01 -2.57 4.80 2.85 -1.16 -4.51 118.16 113.33 1imu n LYS 29 Ca -0.02 0.13 -0.41 0.00 -1.05 0.00 0.00 58.31 56.95 1imu n LYS 29 Cb 0.23 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 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 -3.01 2.58 0.00 5.58 0.52 -0.42 -4.82 118.94 119.37 1imu s TRP 30 Ca 0.10 -0.95 0.00 0.00 0.02 0.00 0.00 56.10 55.27 1imu s TRP 30 Cb 0.14 -4.70 0.00 0.00 -1.15 0.00 0.00 33.47 27.76 1imu s TRP 30 CO 0.40 -1.91 0.00 0.00 0.02 0.00 0.00 176.95 175.46 1imu n GLN 31 N 8.77 0.00 -3.99 4.98 0.00 -1.26 -4.67 117.38 121.21 1imu n GLN 31 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 57.25 1imu n GLN 31 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.68 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 0.00 0.02 -0.35 -0.39 2.01 -1.26 -5.02 115.64 110.65 1imu s THR 32 Ca 0.00 -1.40 -0.00 0.00 0.31 0.00 0.00 61.69 60.60 1imu s THR 32 Cb 0.00 -2.10 0.11 0.00 0.01 0.00 0.00 72.50 70.52 1imu s THR 32 CO 0.00 -0.07 0.15 0.00 -0.69 0.00 0.00 174.62 174.01 1imu s GLN 33 N -4.01 0.83 -0.62 4.92 0.00 -1.26 -5.00 119.66 114.52 1imu s GLN 33 Ca 0.22 -1.33 -0.26 0.00 -0.00 0.00 0.00 55.36 53.99 1imu s GLN 33 Cb 0.01 -1.99 -0.10 0.00 0.00 0.00 0.00 33.01 30.92 1imu s GLN 33 CO 0.06 -1.06 2.42 1.28 0.00 0.00 0.00 175.29 178.00 1imu n LEU 34 N 4.44 2.02 0.15 2.60 7.99 -1.25 -4.38 117.00 128.57 1imu n LEU 34 Ca 0.02 -0.84 0.06 0.00 -0.01 0.00 0.00 56.01 55.23 1imu n LEU 34 Cb 0.39 -1.58 0.52 0.00 -0.11 0.00 0.00 43.42 42.65 1imu n LEU 34 CO 0.15 -1.93 1.06 0.40 -1.51 0.00 0.00 177.39 175.56 1imu h ILE 35 N 7.70 1.07 -0.58 -0.08 2.04 -1.17 -3.40 117.51 123.09 1imu h ILE 35 Ca -0.15 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1imu h ILE 35 Cb 1.17 0.88 -0.19 0.00 -0.74 0.00 0.00 36.82 37.95 1imu h ILE 35 CO 1.12 0.08 -0.22 -0.55 0.00 0.00 0.00 178.15 178.58 1imu s SER 36 N -6.91 -0.92 -0.32 1.72 0.15 -1.26 -4.87 113.70 101.29 1imu s SER 36 Ca -0.06 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.19 1imu s SER 36 Cb 0.17 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1imu s SER 36 CO 0.70 -0.14 0.73 -2.16 1.20 0.00 0.00 173.24 173.57 1imu s PRO 37 N 2.39 3.87 0.35 5.44 0.04 -1.26 -1.09 135.00 144.73 1imu s PRO 37 Ca 0.18 0.38 0.06 0.00 0.04 0.00 0.00 61.00 61.66 1imu s PRO 37 Cb -0.03 -3.76 -0.07 0.00 0.04 0.00 0.00 34.50 30.69 1imu s PRO 37 CO -0.18 -0.69 0.00 -1.01 0.04 0.00 0.00 177.00 175.16 1imu s HIS 38 N 2.86 2.20 -0.27 0.56 3.76 0.36 0.04 115.29 124.81 1imu s HIS 38 Ca 0.29 -0.76 -0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1imu s HIS 38 Cb -0.14 -1.44 0.15 0.00 1.11 0.00 0.00 32.58 32.26 1imu s HIS 38 CO 0.14 0.27 0.40 -0.06 -0.85 0.00 0.00 174.74 174.64 1imu s PHE 39 N -2.97 -0.95 -0.83 1.40 0.40 0.22 -1.91 117.98 113.34 1imu s PHE 39 Ca 0.34 0.63 -0.20 0.00 -0.60 0.00 0.00 56.93 57.10 1imu s PHE 39 Cb 0.08 -0.04 0.11 0.00 0.51 0.00 0.00 43.02 43.68 1imu s PHE 39 CO 0.16 -0.86 1.06 0.08 0.70 0.00 0.00 175.22 176.37 1imu s VAL 40 N 2.56 4.60 -0.03 -0.44 1.01 0.46 -3.37 120.40 125.19 1imu s VAL 40 Ca 0.12 -1.17 -0.20 0.00 0.00 0.00 0.00 61.98 60.73 1imu s VAL 40 Cb -0.14 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 1imu s VAL 40 CO -0.23 -1.48 0.56 -0.76 0.00 0.00 0.00 175.10 173.19 1imu s LEU 41 N 3.14 4.39 0.16 3.92 1.02 -1.26 -0.01 118.68 130.04 1imu s LEU 41 Ca 0.29 1.08 -0.13 0.00 0.02 0.00 0.00 54.13 55.39 1imu s LEU 41 Cb -0.09 -2.86 0.01 0.00 0.02 0.00 0.00 46.19 43.27 1imu s LEU 41 CO -0.03 0.10 0.36 0.20 0.02 0.00 0.00 176.35 177.00 1imu s ASN 42 N -0.09 -0.08 0.23 2.29 0.01 0.19 -3.75 114.94 113.74 1imu s ASN 42 Ca 0.30 -0.63 0.06 0.00 -0.71 0.00 0.00 52.86 51.87 1imu s ASN 42 Cb -0.17 0.47 -0.05 0.00 0.41 0.00 0.00 41.25 41.91 1imu s ASN 42 CO 0.16 -0.91 -0.07 -0.75 -1.51 0.00 0.00 177.10 174.01 1imu s LYS 43 N -3.90 1.36 0.10 -0.60 2.20 -1.26 -0.04 119.74 117.60 1imu s LYS 43 Ca 0.11 -1.66 -0.16 0.00 -0.36 0.00 0.00 55.97 53.90 1imu s LYS 43 Cb 0.02 -0.90 0.03 0.00 -1.51 0.00 0.00 37.83 35.47 1imu s LYS 43 CO -0.04 0.04 0.39 0.14 -0.36 0.00 0.00 175.35 175.52 1imu s VAL 44 N -3.17 0.07 0.27 4.02 -7.23 0.31 -4.69 120.40 109.97 1imu s VAL 44 Ca 0.26 -0.56 -0.00 0.00 -1.81 0.00 0.00 61.98 59.86 1imu s VAL 44 Cb 0.03 -1.11 0.26 0.00 0.56 0.00 0.00 36.38 36.12 1imu s VAL 44 CO 0.08 -0.31 1.71 -0.65 -0.31 0.00 0.00 175.10 175.62 1imu h PRO 45 N 2.58 0.40 -0.02 4.82 0.11 -2.02 0.35 132.00 138.23 1imu h PRO 45 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1imu h PRO 45 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1imu h PRO 45 CO 0.46 0.27 0.00 0.27 -0.21 0.00 0.00 178.00 178.79 1imu n ASN 46 N -5.04 0.17 0.00 -2.05 6.94 -1.26 -4.98 115.26 109.04 1imu n ASN 46 Ca 0.18 -1.41 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 1imu n ASN 46 Cb 0.54 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1imu n GLY 47 N 0.85 0.02 3.08 4.83 0.00 0.12 -4.18 105.19 109.91 1imu n GLY 47 Ca 0.15 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 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 1.47 -0.18 1.61 0.08 0.53 0.11 117.98 117.61 1imu s PHE 48 Ca 0.00 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.59 1imu s PHE 48 Cb 0.00 -1.02 -0.01 0.00 -0.57 0.00 0.00 43.02 41.42 1imu s PHE 48 CO 0.00 -0.18 -0.09 -1.54 -0.10 0.00 0.00 175.22 173.30 1imu s SER 49 N 0.24 4.08 -0.07 1.36 1.04 0.94 -0.32 113.70 120.95 1imu s SER 49 Ca -0.07 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.00 1imu s SER 49 Cb -0.12 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.36 1imu s SER 49 CO 0.02 0.07 -0.11 -0.69 0.98 0.00 0.00 173.24 173.50 1imu s VAL 50 N 0.95 1.12 -0.08 5.02 1.01 0.94 0.57 120.40 129.93 1imu s VAL 50 Ca -0.01 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1imu s VAL 50 Cb -0.15 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.20 1imu s VAL 50 CO -0.00 0.36 -0.13 -0.70 0.00 0.00 0.00 175.10 174.62 1imu s GLU 51 N 0.86 1.90 0.19 2.72 2.12 0.99 0.05 118.70 127.53 1imu s GLU 51 Ca -0.11 -0.46 0.07 0.00 0.36 0.00 0.00 54.97 54.83 1imu s GLU 51 Cb -0.15 -1.61 -0.04 0.00 0.26 0.00 0.00 34.13 32.59 1imu s GLU 51 CO 0.01 -0.02 0.06 0.00 -0.54 0.00 0.00 175.26 174.77 1imu s ALA 52 N 0.86 3.35 -0.26 6.30 0.00 0.81 0.17 121.76 132.98 1imu s ALA 52 Ca -0.10 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.50 1imu s ALA 52 Cb -0.15 -1.12 0.15 0.00 0.00 0.00 0.00 23.12 21.99 1imu s ALA 52 CO 0.01 0.45 0.41 -1.54 0.00 0.00 0.00 175.76 175.09 1imu s SER 53 N -3.15 0.11 -0.17 0.00 1.04 -0.80 -0.10 113.70 110.63 1imu s SER 53 Ca 0.29 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1imu s SER 53 Cb -0.09 1.22 0.04 0.00 0.10 0.00 0.00 66.02 67.29 1imu s SER 53 CO 0.21 -0.31 -0.09 -0.63 0.98 0.00 0.00 173.24 173.40 1imu s ILE 54 N 2.58 1.39 0.55 -1.02 1.01 0.12 0.14 121.20 125.97 1imu s ILE 54 Ca 0.13 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.82 1imu s ILE 54 Cb -0.14 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1imu s ILE 54 CO -0.21 0.23 1.30 -0.83 0.00 0.00 0.00 174.94 175.43 1imu s GLY 55 N 1.52 2.85 -0.11 6.18 0.00 -0.25 0.14 107.32 117.64 1imu s GLY 55 Ca 0.01 1.22 -0.11 0.00 0.00 0.00 0.00 44.72 45.85 1imu s GLY 55 CO -0.09 1.70 0.31 -0.51 0.00 0.00 0.00 173.10 174.51 1imu s THR 56 N -1.39 -0.00 0.24 0.90 -4.23 -1.24 -0.57 115.64 109.36 1imu s THR 56 Ca 0.73 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 61.48 1imu s THR 56 Cb -0.37 -0.43 0.24 0.00 1.34 0.00 0.00 72.50 73.28 1imu s THR 56 CO 0.43 0.00 1.69 -0.65 -0.54 0.00 0.00 174.62 175.55 1imu h PRO 57 N 5.69 0.00 -0.01 3.99 0.11 -1.97 0.60 132.00 140.42 1imu h PRO 57 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1imu h PRO 57 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1imu h PRO 57 CO 0.32 0.00 -0.67 1.28 -0.21 0.00 0.00 178.00 178.71 1imu n LEU 58 N -2.47 1.27 0.00 2.35 4.32 -1.26 -5.01 117.00 116.21 1imu n LEU 58 Ca -0.02 -0.49 0.00 0.00 -0.02 0.00 0.00 56.01 55.49 1imu n LEU 58 Cb 0.25 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1imu n LEU 58 CO 0.11 0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1imu n GLY 59 N 1.46 4.08 3.65 -0.72 0.00 0.21 -4.92 105.19 108.94 1imu n GLY 59 Ca 0.07 -0.60 -0.53 0.00 0.00 0.00 0.00 46.02 44.96 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 2.76 -4.76 1.61 4.13 -1.25 -3.65 115.26 114.09 1imu n ASN 60 Ca 0.00 0.89 -0.40 0.00 1.68 0.00 0.00 54.58 56.75 1imu n ASN 60 Cb 0.00 -1.26 -0.04 0.00 -1.54 0.00 0.00 39.78 36.94 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 4.59 4.50 -0.03 3.41 1.43 0.37 -4.87 118.68 128.09 1imu s LEU 61 Ca 0.99 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 56.19 1imu s LEU 61 Cb -0.88 -3.70 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1imu s LEU 61 CO 0.57 -0.19 0.31 -0.76 0.23 0.00 0.00 176.35 176.51 1imu s LEU 62 N -1.60 0.84 0.18 1.79 1.43 -1.26 0.12 118.68 120.18 1imu s LEU 62 Ca 0.46 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 1imu s LEU 62 Cb -0.31 1.25 0.06 0.00 0.03 0.00 0.00 46.19 47.22 1imu s LEU 62 CO 0.39 -0.41 0.60 0.00 0.23 0.00 0.00 176.35 177.17 1imu s ALA 63 N -1.15 -1.46 -0.28 4.21 0.00 0.85 -4.64 121.76 119.29 1imu s ALA 63 Ca -0.12 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 51.93 1imu s ALA 63 Cb -0.05 0.87 0.09 0.00 0.00 0.00 0.00 23.12 24.03 1imu s ALA 63 CO 0.04 -0.81 0.77 -1.54 0.00 0.00 0.00 175.76 174.22 1imu s SER 64 N -2.79 -0.80 -0.05 0.00 1.04 -1.25 -0.14 113.70 109.72 1imu s SER 64 Ca 0.03 1.34 -0.07 0.00 0.48 0.00 0.00 55.95 57.74 1imu s SER 64 Cb -0.02 1.34 0.01 0.00 0.10 0.00 0.00 66.02 67.45 1imu s SER 64 CO -0.09 -0.22 0.17 0.00 0.98 0.00 0.00 173.24 174.08 1imu s ALA 65 N 1.22 -0.41 -0.12 5.32 0.00 0.11 -4.88 121.76 122.99 1imu s ALA 65 Ca -0.07 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1imu s ALA 65 Cb -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1imu s ALA 65 CO -0.14 -0.12 -0.16 0.99 0.00 0.00 0.00 175.76 176.34 1imu s THR 66 N -0.33 1.58 0.03 0.00 2.01 -1.26 -0.04 115.64 117.63 1imu s THR 66 Ca -0.04 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.01 1imu s THR 66 Cb -0.03 -1.44 0.09 0.00 0.01 0.00 0.00 72.50 71.13 1imu s THR 66 CO 0.01 0.46 0.81 -0.44 -0.69 0.00 0.00 174.62 174.76 1imu s SER 67 N 1.10 -0.43 0.00 3.53 0.01 0.56 -4.90 113.70 113.56 1imu s SER 67 Ca -0.04 0.05 0.19 0.00 1.31 0.00 0.00 55.95 57.47 1imu s SER 67 Cb -0.14 0.45 1.14 0.00 0.21 0.00 0.00 66.02 67.67 1imu s SER 67 CO -0.04 -0.70 1.58 -0.90 0.41 0.00 0.00 173.24 173.59 1imu n ASP 68 N -0.18 0.00 -4.07 2.44 5.68 -1.26 0.20 116.55 119.36 1imu n ASP 68 Ca -0.12 -0.86 -0.34 0.00 -0.50 0.00 0.00 54.79 52.97 1imu n ASP 68 Cb 0.62 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.47 1imu n ASP 68 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1imu s ASP 69 N -1.87 5.01 0.00 -1.12 -1.08 -1.26 -4.80 116.67 111.56 1imu s ASP 69 Ca 0.29 -2.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.16 1imu s ASP 69 Cb 0.13 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 1imu s ASP 69 CO 0.22 -0.45 0.88 0.80 0.52 0.00 0.00 175.17 177.14 1imu n MET 70 N 4.34 0.00 0.28 4.34 0.00 -1.26 0.11 117.12 124.93 1imu n MET 70 Ca 0.01 0.88 0.17 0.00 -0.00 0.00 0.00 57.70 58.76 1imu n MET 70 Cb 0.41 -1.37 0.81 0.00 0.00 0.00 0.00 33.22 33.08 1imu n MET 70 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1imu h TYR 71 N 0.00 0.00 0.05 1.12 -1.99 -1.97 0.33 116.97 114.51 1imu h TYR 71 Ca 0.00 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.47 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 -0.74 0.05 -1.07 -0.22 -0.00 0.00 0.00 178.16 176.18 1imu h LYS 72 N 0.00 0.48 -0.25 4.88 3.64 -1.66 1.25 116.57 124.92 1imu h LYS 72 Ca -0.00 -0.58 -0.01 0.00 -1.27 0.00 0.00 60.65 58.78 1imu h LYS 72 Cb 0.35 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1imu h LYS 72 CO 0.01 1.22 0.11 0.00 -2.27 0.00 0.00 179.45 178.52 1imu h ALA 73 N 0.56 0.33 -0.77 5.00 0.00 0.17 1.60 119.26 126.15 1imu h ALA 73 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1imu h ALA 73 Cb 1.73 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1imu h ALA 73 CO 0.19 -0.10 0.39 0.82 0.00 0.00 0.00 179.25 180.55 1imu h ILE 74 N 0.26 1.24 -1.00 0.00 2.04 -0.91 0.22 117.51 119.37 1imu h ILE 74 Ca 0.09 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.37 1imu h ILE 74 Cb 0.15 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 1imu h ILE 74 CO -0.01 0.28 0.64 -1.13 0.00 0.00 0.00 178.15 177.93 1imu h ASN 75 N 1.08 1.03 0.22 1.72 -0.73 0.35 0.16 115.58 119.42 1imu h ASN 75 Ca 0.27 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 1imu h ASN 75 Cb 0.08 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.46 1imu h ASN 75 CO -0.04 0.66 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.49 1imu h GLU 76 N 1.17 -0.29 -0.52 6.67 4.81 0.42 -2.51 114.58 124.32 1imu h GLU 76 Ca 0.43 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.78 1imu h GLU 76 Cb 0.16 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.51 1imu h GLU 76 CO -0.17 0.08 -0.13 0.28 -0.73 0.00 0.00 179.01 178.33 1imu h VAL 77 N -0.77 0.47 -0.60 0.32 2.07 -0.24 0.63 116.25 118.14 1imu h VAL 77 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1imu h VAL 77 Cb 0.51 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1imu h VAL 77 CO 0.05 0.00 0.41 -0.08 0.02 0.00 0.00 177.57 177.97 1imu h GLU 78 N -0.00 0.37 -0.24 1.57 4.81 -0.72 0.81 114.58 121.17 1imu h GLU 78 Ca 0.25 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1imu h GLU 78 Cb 0.39 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 1imu h GLU 78 CO -0.54 0.24 -0.18 0.93 -0.73 0.00 0.00 179.01 178.73 1imu h GLU 79 N 0.38 0.55 -0.29 1.92 5.08 0.60 0.34 114.58 123.16 1imu h GLU 79 Ca 0.28 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1imu h GLU 79 Cb 0.60 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1imu h GLU 79 CO -0.07 0.85 -0.12 0.87 -1.00 0.00 0.00 179.01 179.53 1imu h LYS 80 N 0.26 0.59 -0.48 2.33 1.57 0.97 0.31 116.57 122.11 1imu h LYS 80 Ca 0.04 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1imu h LYS 80 Cb 0.72 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1imu h LYS 80 CO 0.05 0.82 0.21 1.25 -0.57 0.00 0.00 179.45 181.20 1imu h LEU 81 N 0.34 0.65 0.48 2.94 7.12 0.57 0.23 115.31 127.63 1imu h LEU 81 Ca 0.07 -0.16 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 1imu h LEU 81 Cb 0.63 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1imu h LEU 81 CO 0.04 0.63 -0.23 -0.08 -0.13 0.00 0.00 178.44 178.67 1imu h GLU 82 N 0.63 -0.62 -0.78 1.25 4.22 -0.24 0.26 114.58 119.31 1imu h GLU 82 Ca 0.16 0.04 0.18 0.00 0.08 0.00 0.00 59.36 59.82 1imu h GLU 82 Cb 0.17 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 1imu h GLU 82 CO -0.02 -0.31 0.18 0.00 -2.18 0.00 0.00 179.01 176.68 1imu h ARG 83 N -0.98 0.24 -0.44 1.92 3.08 -0.35 0.57 114.38 118.42 1imu h ARG 83 Ca -0.07 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1imu h ARG 83 Cb 0.59 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1imu h ARG 83 CO 0.11 0.16 0.20 1.96 -1.07 0.00 0.00 179.97 181.33 1imu h GLN 84 N 0.24 0.63 -0.54 0.04 4.20 -0.46 0.11 115.11 119.34 1imu h GLN 84 Ca 0.45 -0.10 0.11 0.00 0.06 0.00 0.00 58.65 59.17 1imu h GLN 84 Cb 0.81 -0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.38 1imu h GLN 84 CO -0.56 0.55 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.00 1imu h LEU 85 N 0.56 -0.39 -1.03 1.46 3.38 0.36 0.67 115.31 120.33 1imu h LEU 85 Ca 0.15 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1imu h LEU 85 Cb 0.13 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1imu h LEU 85 CO -0.02 -0.14 0.52 -1.13 0.09 0.00 0.00 178.44 177.76 1imu h ASN 86 N 0.05 1.05 -0.00 -0.43 -1.24 -0.04 0.95 115.58 115.91 1imu h ASN 86 Ca 0.27 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1imu h ASN 86 Cb 0.41 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1imu h ASN 86 CO -0.51 0.81 0.00 0.50 -1.29 0.00 0.00 177.43 176.94 1imu h LYS 87 N 1.20 0.00 0.20 6.67 3.64 0.25 1.14 116.57 129.68 1imu h LYS 87 Ca 0.31 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1imu h LYS 87 Cb -0.04 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1imu h LYS 87 CO -0.06 0.02 -0.19 -0.07 -2.27 0.00 0.00 179.45 176.89 1imu h LEU 88 N -0.02 -0.50 -1.93 5.20 3.38 0.63 1.37 115.31 123.44 1imu h LEU 88 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1imu h LEU 88 Cb 0.02 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1imu h LEU 88 CO -0.00 -0.28 -0.10 1.56 0.09 0.00 0.00 178.44 179.71 1imu h GLN 89 N -0.42 0.00 0.00 1.13 4.20 -0.64 -3.19 115.11 116.20 1imu h GLN 89 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1imu h GLN 89 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1imu h GLN 89 CO -0.04 0.10 -0.00 0.45 -0.67 0.00 0.00 178.83 178.67 1imu h HIS 90 N 0.00 -0.00 -1.04 2.96 3.86 0.24 -3.47 115.15 117.70 1imu h HIS 90 Ca -0.00 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1imu h HIS 90 Cb 0.21 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.71 1imu h HIS 90 CO 0.00 -0.00 -0.02 1.63 0.86 0.00 0.00 177.93 180.40 1imu n LYS 91 N -4.31 -1.31 -3.17 2.45 5.02 0.46 -5.04 118.16 112.26 1imu n LYS 91 Ca -0.00 -0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.08 1imu n LYS 91 Cb 0.00 -0.31 -0.01 0.00 -0.02 0.00 0.00 35.03 34.69 1imu n LYS 91 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1imu s SER 92 N -1.88 -1.34 0.21 4.39 0.01 -1.26 -4.93 113.70 108.90 1imu s SER 92 Ca 0.09 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.39 1imu s SER 92 Cb -0.02 1.86 0.00 0.00 0.21 0.00 0.00 66.02 68.07 1imu s SER 92 CO 0.08 -0.16 0.00 -0.62 0.41 0.00 0.00 173.24 172.94 1imu n GLU 93 N 4.22 1.36 -1.41 12.44 4.71 -1.26 -5.13 120.64 135.57 1imu n GLU 93 Ca 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.22 1imu n GLU 93 Cb 0.56 0.00 0.02 0.00 -1.01 0.00 0.00 31.44 31.01 1imu n GLU 93 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1imu n SER 94 N -1.57 0.49 0.08 1.62 2.88 -1.26 -5.03 113.62 110.83 1imu n SER 94 Ca 0.00 -1.36 -0.09 0.00 -1.33 0.00 0.00 58.87 56.09 1imu n SER 94 Cb 0.00 -0.12 -0.07 0.00 -0.75 0.00 0.00 64.21 63.27 1imu n SER 94 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1imu h ARG 95 N 0.00 0.10 -7.13 -1.46 -0.00 -2.00 -3.46 114.38 100.43 1imu h ARG 95 Ca -0.07 -0.14 -0.50 0.00 -0.00 0.00 0.00 59.98 59.27 1imu h ARG 95 Cb 0.31 0.05 0.07 0.00 -0.00 0.00 0.00 29.97 30.40 1imu h ARG 95 CO 0.10 1.00 0.40 1.03 -0.00 0.00 0.00 179.97 182.50 1imu s ARG 96 N -2.89 3.25 -0.29 0.08 0.52 -1.26 -5.05 118.95 113.31 1imu s ARG 96 Ca -0.01 1.47 -0.19 0.00 -0.52 0.00 0.00 55.73 56.49 1imu s ARG 96 Cb 0.10 -2.00 0.18 0.00 0.52 0.00 0.00 34.95 33.74 1imu s ARG 96 CO 0.83 -0.91 1.19 0.00 0.02 0.00 0.00 175.30 176.43 1imu s ALA 97 N -2.04 -2.40 0.57 2.13 0.00 -1.26 -5.12 121.76 113.64 1imu s ALA 97 Ca 0.69 1.98 0.00 0.00 0.00 0.00 0.00 51.96 54.63 1imu s ALA 97 Cb -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1imu s ALA 97 CO 0.31 -0.28 0.00 -0.25 0.00 0.00 0.00 175.76 175.55 1imu n ASP 98 N 2.90 -8.52 -1.43 0.00 9.92 -1.26 -4.98 116.55 113.18 1imu n ASP 98 Ca -0.16 1.26 -0.01 0.00 -0.53 0.00 0.00 54.79 55.36 1imu n ASP 98 Cb 0.57 -4.94 0.02 0.00 -0.64 0.00 0.00 41.12 36.13 1imu n ASP 98 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1imu n GLU 99 N -4.38 0.22 -3.59 -1.24 2.13 -1.26 -5.15 120.64 107.36 1imu n GLU 99 Ca -0.07 -0.25 -0.10 0.00 0.66 0.00 0.00 57.16 57.40 1imu n GLU 99 Cb 0.70 0.21 -0.05 0.00 0.27 0.00 0.00 31.44 32.57 1imu n GLU 99 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1imu s ARG 100 N 0.02 0.55 -1.04 5.31 6.06 -1.26 -5.07 118.95 123.53 1imu s ARG 100 Ca 0.01 0.20 -0.01 0.00 -2.50 0.00 0.00 55.73 53.43 1imu s ARG 100 Cb 0.07 0.26 0.32 0.00 0.06 0.00 0.00 34.95 35.66 1imu s ARG 100 CO -0.02 -0.16 1.77 -0.11 -2.50 0.00 0.00 175.30 174.28 1imu n LEU 101 N 0.93 7.20 0.00 -0.88 7.94 -1.26 -4.94 117.00 125.99 1imu n LEU 101 Ca -0.10 -5.36 0.00 0.00 -1.11 0.00 0.00 56.01 49.44 1imu n LEU 101 Cb 0.58 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1imu n LEU 101 CO 0.14 1.99 0.00 0.29 -1.11 0.00 0.00 177.39 178.70 1imu n LYS 102 N 0.17 0.00 0.08 1.96 4.76 -1.26 -3.48 118.16 120.39 1imu n LYS 102 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 1imu n LYS 102 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 1imu n LYS 102 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1imu n ASP 103 N 1.66 -1.22 -1.45 4.39 2.03 -1.26 -5.17 116.55 115.53 1imu n ASP 103 Ca 0.00 0.30 0.06 0.00 0.52 0.00 0.00 54.79 55.67 1imu n ASP 103 Cb 0.00 1.39 -0.03 0.00 -0.72 0.00 0.00 41.12 41.76 1imu n ASP 103 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1imu n SER 104 N -2.85 -7.82 -1.47 1.67 7.64 -1.23 -4.98 113.62 104.58 1imu n SER 104 Ca 0.00 1.65 0.19 0.00 1.01 0.00 0.00 58.87 61.72 1imu n SER 104 Cb 0.00 -4.75 -0.07 0.00 -1.01 0.00 0.00 64.21 58.39 1imu n SER 104 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1imu n PHE 105 N -3.12 -3.80 -0.84 1.43 3.01 -1.26 -4.83 117.46 108.05 1imu n PHE 105 Ca -0.03 1.98 -0.30 0.00 1.01 0.00 0.00 57.45 60.10 1imu n PHE 105 Cb 0.52 -3.45 0.17 0.00 -0.01 0.00 0.00 39.48 36.71 1imu n PHE 105 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1imu s GLU 106 N -3.12 0.77 0.00 -1.08 2.02 -1.26 -5.25 118.70 110.78 1imu s GLU 106 Ca 0.00 1.19 0.00 0.00 0.02 0.00 0.00 54.97 56.18 1imu s GLU 106 Cb 0.00 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.51 1imu s GLU 106 CO 0.00 -2.69 0.00 -1.71 0.02 0.00 0.00 175.26 170.89