#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 3.93 0.01 2.03 -4.23 -1.26 -4.87 115.64 111.25 1imu s THR 2 Ca 0.00 1.08 -0.30 0.00 -1.18 0.00 0.00 61.69 61.29 1imu s THR 2 Cb 0.00 -3.87 -0.06 0.00 1.34 0.00 0.00 72.50 69.92 1imu s THR 2 CO 0.00 -0.28 1.38 -1.48 -0.54 0.00 0.00 174.62 173.70 1imu s LEU 3 N 4.46 4.32 0.54 4.79 -0.00 -1.26 -4.66 118.68 126.87 1imu s LEU 3 Ca 0.64 2.12 -0.03 0.00 -0.00 0.00 0.00 54.13 56.86 1imu s LEU 3 Cb -0.23 -3.56 0.01 0.00 -0.00 0.00 0.00 46.19 42.41 1imu s LEU 3 CO 0.24 -0.70 0.80 0.20 -0.00 0.00 0.00 176.35 176.90 1imu s ASN 4 N 1.77 5.57 -0.01 1.48 0.01 0.82 -4.87 114.94 119.70 1imu s ASN 4 Ca 0.63 0.42 0.02 0.00 -0.71 0.00 0.00 52.86 53.23 1imu s ASN 4 Cb -0.32 -1.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 1imu s ASN 4 CO 0.27 -0.99 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.16 1imu s ILE 5 N -2.81 0.62 -0.07 0.60 1.09 -1.26 -0.37 121.20 118.99 1imu s ILE 5 Ca 0.53 -0.33 -0.08 0.00 -1.10 0.00 0.00 60.65 59.67 1imu s ILE 5 Cb -0.10 -0.52 -0.03 0.00 -1.06 0.00 0.00 42.46 40.75 1imu s ILE 5 CO 0.41 0.18 -0.15 0.41 -0.10 0.00 0.00 174.94 175.69 1imu n THR 6 N 2.92 0.80 -2.41 2.92 -1.04 -0.45 -4.89 114.28 112.14 1imu n THR 6 Ca -0.14 0.28 -0.01 0.00 -2.04 0.00 0.00 64.05 62.15 1imu n THR 6 Cb 0.57 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.23 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 -3.48 -5.22 -0.18 8.00 3.41 -1.25 -4.88 113.62 110.02 1imu n SER 7 Ca -0.06 1.47 -0.09 0.00 -0.26 0.00 0.00 58.87 59.93 1imu n SER 7 Cb 0.23 -3.98 0.01 0.00 -0.26 0.00 0.00 64.21 60.21 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 4.29 0.83 0.00 4.33 2.10 -1.94 -3.44 116.57 122.74 1imu h LYS 8 Ca -0.12 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1imu h LYS 8 Cb 0.27 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1imu h LYS 8 CO 0.00 0.80 0.00 0.00 -2.00 0.00 0.00 179.45 178.25 1imu n GLN 9 N -4.44 0.00 -1.40 0.07 10.64 -1.26 -4.97 117.38 116.02 1imu n GLN 9 Ca 0.02 0.00 -0.52 0.00 -1.83 0.00 0.00 57.00 54.67 1imu n GLN 9 Cb 0.23 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.52 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 -0.02 0.69 -0.03 2.61 0.00 -1.26 -4.91 117.12 114.20 1imu n MET 10 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 57.70 57.84 1imu n MET 10 Cb 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 33.22 31.09 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 9.54 -2.11 -4.76 3.17 8.00 -1.26 -4.79 116.55 124.34 1imu n ASP 11 Ca 0.47 -0.09 -0.35 0.00 0.71 0.00 0.00 54.79 55.52 1imu n ASP 11 Cb 0.15 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.07 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 -1.06 4.77 0.34 0.53 -1.09 -1.26 -5.02 121.20 118.40 1imu s ILE 12 Ca 0.07 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.47 1imu s ILE 12 Cb -0.01 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 1imu s ILE 12 CO 0.06 0.59 0.30 0.42 -1.23 0.00 0.00 174.94 175.08 1imu s THR 13 N -0.96 0.00 0.21 2.92 -4.23 -1.26 -4.94 115.64 107.38 1imu s THR 13 Ca 0.15 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.52 1imu s THR 13 Cb -0.12 -2.51 0.23 0.00 1.34 0.00 0.00 72.50 71.44 1imu s THR 13 CO 0.04 0.00 1.60 -0.65 -0.54 0.00 0.00 174.62 175.07 1imu h PRO 14 N 2.10 -0.05 0.00 3.99 0.11 -1.99 0.25 132.00 136.41 1imu h PRO 14 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1imu h PRO 14 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1imu h PRO 14 CO 0.35 -0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.11 1imu n ALA 15 N -3.16 -0.15 -0.04 -0.75 0.00 -1.26 0.55 120.51 115.70 1imu n ALA 15 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1imu n ALA 15 Cb 0.36 0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1imu n ALA 15 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1imu h ILE 16 N 0.00 0.00 -0.69 0.00 5.03 -1.93 1.00 117.51 120.91 1imu h ILE 16 Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.81 1imu h ILE 16 Cb 0.00 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.70 1imu h ILE 16 CO 0.00 0.00 -0.49 -0.09 -0.68 0.00 0.00 178.15 176.89 1imu h ARG 17 N -0.26 -0.09 -0.89 2.37 2.43 -0.54 0.87 114.38 118.26 1imu h ARG 17 Ca 0.03 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1imu h ARG 17 Cb 0.33 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1imu h ARG 17 CO -0.26 -0.06 0.58 1.49 -1.51 0.00 0.00 179.97 180.20 1imu h GLU 18 N -0.10 0.94 0.09 0.20 4.81 0.49 0.24 114.58 121.26 1imu h GLU 18 Ca 0.11 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1imu h GLU 18 Cb 0.39 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1imu h GLU 18 CO -0.70 0.62 -0.04 1.25 -0.73 0.00 0.00 179.01 179.40 1imu h HIS 19 N 0.97 -0.12 -0.71 0.92 2.76 0.54 0.44 115.15 119.95 1imu h HIS 19 Ca 0.39 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.70 1imu h HIS 19 Cb 0.26 0.04 -0.14 0.00 1.55 0.00 0.00 27.41 29.13 1imu h HIS 19 CO -0.00 -0.07 -0.20 -0.07 -1.30 0.00 0.00 177.93 176.29 1imu h LEU 20 N -0.14 -0.74 0.46 0.26 3.38 0.62 0.86 115.31 120.01 1imu h LEU 20 Ca -0.01 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1imu h LEU 20 Cb 0.10 0.47 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1imu h LEU 20 CO 0.02 -0.25 -0.40 -0.33 0.09 0.00 0.00 178.44 177.58 1imu h GLU 21 N -0.02 -0.82 -0.88 1.13 5.08 -0.52 0.21 114.58 118.76 1imu h GLU 21 Ca 0.34 0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.93 1imu h GLU 21 Cb 0.53 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.90 1imu h GLU 21 CO -0.74 -0.55 0.58 0.93 -1.00 0.00 0.00 179.01 178.23 1imu h GLU 22 N -0.85 0.50 0.36 2.33 5.08 0.15 0.30 114.58 122.45 1imu h GLU 22 Ca -0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1imu h GLU 22 Cb 0.74 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1imu h GLU 22 CO -0.03 0.33 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.05 1imu h ARG 23 N 0.51 -0.47 -0.28 2.33 1.12 0.19 0.30 114.38 118.09 1imu h ARG 23 Ca 0.46 0.03 0.04 0.00 -1.11 0.00 0.00 59.98 59.39 1imu h ARG 23 Cb 0.97 0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 31.00 1imu h ARG 23 CO -0.19 -0.23 0.07 1.25 -3.11 0.00 0.00 179.97 177.76 1imu h LEU 24 N -0.63 0.05 -1.81 3.80 5.85 0.84 0.52 115.31 123.93 1imu h LEU 24 Ca -0.05 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1imu h LEU 24 Cb 0.45 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1imu h LEU 24 CO 0.08 0.06 0.28 0.00 -0.34 0.00 0.00 178.44 178.53 1imu h ALA 25 N 1.19 2.09 -0.06 1.25 0.00 -0.33 0.25 119.26 123.66 1imu h ALA 25 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1imu h ALA 25 Cb 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.88 1imu h ALA 25 CO -0.15 -0.19 -0.89 -0.22 0.00 0.00 0.00 179.25 177.80 1imu h LYS 26 N 0.23 0.72 0.00 0.00 1.63 0.19 -2.98 116.57 116.35 1imu h LYS 26 Ca 0.19 -0.69 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1imu h LYS 26 Cb 0.45 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1imu h LYS 26 CO -0.03 1.28 0.00 1.28 -3.45 0.00 0.00 179.45 178.52 1imu n LEU 27 N -3.93 0.00 0.06 5.20 4.77 0.16 -3.00 117.00 120.26 1imu n LEU 27 Ca -0.10 0.49 0.03 0.00 -0.03 0.00 0.00 56.01 56.40 1imu n LEU 27 Cb 0.81 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.81 1imu n LEU 27 CO 0.54 -0.14 1.01 1.23 -1.33 0.00 0.00 177.39 178.70 1imu h GLY 28 N 3.54 0.42 2.00 -0.72 0.00 -0.42 -1.27 103.07 106.63 1imu h GLY 28 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1imu h GLY 28 CO 0.00 0.20 -0.18 1.70 0.00 0.00 0.00 176.54 178.26 1imu h LYS 29 N 0.39 0.00 -5.93 4.80 3.64 -1.70 -3.40 116.57 114.37 1imu h LYS 29 Ca 0.09 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 59.02 1imu h LYS 29 Cb 0.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1imu h LYS 29 CO -0.00 0.18 1.22 -1.58 -2.27 0.00 0.00 179.45 177.00 1imu s TRP 30 N -4.40 1.70 0.00 1.91 0.52 -0.48 -4.77 118.94 113.42 1imu s TRP 30 Ca -0.03 0.73 0.00 0.00 0.02 0.00 0.00 56.10 56.82 1imu s TRP 30 Cb 0.14 -4.09 0.00 0.00 -1.15 0.00 0.00 33.47 28.37 1imu s TRP 30 CO 0.65 -2.19 0.36 0.00 0.02 0.00 0.00 176.95 175.79 1imu n GLN 31 N 9.12 0.00 -3.65 4.98 10.64 -1.26 -4.66 117.38 132.55 1imu n GLN 31 Ca 0.24 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.32 1imu n GLN 31 Cb 0.51 -0.42 -0.02 0.00 -0.86 0.00 0.00 30.24 29.45 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1imu s THR 32 N 0.38 0.00 -0.41 -0.39 2.01 -1.26 -5.00 115.64 110.98 1imu s THR 32 Ca 0.00 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1imu s THR 32 Cb 0.00 -1.49 0.12 0.00 0.01 0.00 0.00 72.50 71.14 1imu s THR 32 CO 0.00 -0.02 0.19 0.00 -0.69 0.00 0.00 174.62 174.10 1imu s GLN 33 N -3.84 1.28 -0.82 4.92 0.00 -1.26 -4.96 119.66 114.98 1imu s GLN 33 Ca 0.06 -1.87 -0.22 0.00 -0.00 0.00 0.00 55.36 53.33 1imu s GLN 33 Cb -0.03 -2.49 -0.19 0.00 0.00 0.00 0.00 33.01 30.30 1imu s GLN 33 CO -0.03 -1.09 2.37 1.28 0.00 0.00 0.00 175.29 177.81 1imu n LEU 34 N 3.84 0.86 -4.56 2.60 7.99 -1.25 -4.44 117.00 122.05 1imu n LEU 34 Ca 0.05 -0.93 -0.30 0.00 -0.01 0.00 0.00 56.01 54.82 1imu n LEU 34 Cb 0.37 -1.28 -0.04 0.00 -0.11 0.00 0.00 43.42 42.35 1imu n LEU 34 CO 0.23 -1.98 1.48 -0.63 -1.51 0.00 0.00 177.39 174.98 1imu s ILE 35 N 9.91 3.31 -0.20 -0.08 1.01 0.30 -4.13 121.20 131.32 1imu s ILE 35 Ca 1.08 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 61.61 1imu s ILE 35 Cb -0.43 -3.75 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1imu s ILE 35 CO 0.28 -0.71 0.05 -0.24 0.00 0.00 0.00 174.94 174.32 1imu n SER 36 N 14.45 -6.32 -4.84 3.58 2.88 -1.26 -2.72 113.62 119.39 1imu n SER 36 Ca 0.34 1.19 -0.37 0.00 -1.33 0.00 0.00 58.87 58.70 1imu n SER 36 Cb 0.49 -4.33 -0.06 0.00 -0.75 0.00 0.00 64.21 59.56 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 -1.23 3.90 0.29 -1.46 0.04 -1.26 -3.70 135.00 131.59 1imu s PRO 37 Ca -0.05 0.38 0.02 0.00 0.04 0.00 0.00 61.00 61.39 1imu s PRO 37 Cb 0.00 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 1imu s PRO 37 CO 0.58 0.65 0.11 -1.01 0.04 0.00 0.00 177.00 177.37 1imu s HIS 38 N -1.17 1.64 -0.27 0.56 3.76 0.21 -0.12 115.29 119.89 1imu s HIS 38 Ca 0.27 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 1imu s HIS 38 Cb -0.16 -0.97 0.15 0.00 1.11 0.00 0.00 32.58 32.71 1imu s HIS 38 CO 0.15 -0.33 0.40 -0.06 -0.85 0.00 0.00 174.74 174.05 1imu s PHE 39 N -3.60 -0.95 -0.75 1.40 0.40 0.50 -2.51 117.98 112.48 1imu s PHE 39 Ca 0.36 0.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.08 1imu s PHE 39 Cb 0.07 -0.07 0.17 0.00 0.51 0.00 0.00 43.02 43.70 1imu s PHE 39 CO 0.15 -0.88 0.75 0.08 0.70 0.00 0.00 175.22 176.01 1imu s VAL 40 N 2.55 5.31 0.07 -0.44 1.01 0.70 -1.34 120.40 128.26 1imu s VAL 40 Ca 0.11 -1.95 0.01 0.00 0.00 0.00 0.00 61.98 60.16 1imu s VAL 40 Cb -0.14 -4.48 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 1imu s VAL 40 CO -0.25 -1.07 0.15 -1.48 0.00 0.00 0.00 175.10 172.46 1imu s LEU 41 N 1.13 4.12 0.13 3.92 2.34 -1.26 0.25 118.68 129.31 1imu s LEU 41 Ca 0.16 0.15 -0.12 0.00 0.06 0.00 0.00 54.13 54.37 1imu s LEU 41 Cb -0.16 -2.75 0.01 0.00 -0.56 0.00 0.00 46.19 42.73 1imu s LEU 41 CO -0.04 0.17 0.32 0.20 -1.06 0.00 0.00 176.35 175.94 1imu s ASN 42 N -2.46 -0.07 0.24 1.48 0.01 0.50 -3.52 114.94 111.13 1imu s ASN 42 Ca 0.33 -0.55 0.11 0.00 -0.71 0.00 0.00 52.86 52.04 1imu s ASN 42 Cb -0.13 0.43 -0.05 0.00 0.41 0.00 0.00 41.25 41.92 1imu s ASN 42 CO 0.25 -0.84 -0.21 -0.75 -1.51 0.00 0.00 177.10 174.05 1imu s LYS 43 N -3.86 1.58 -0.17 -0.60 2.20 -1.26 -0.22 119.74 117.41 1imu s LYS 43 Ca 0.07 -1.66 -0.28 0.00 -0.36 0.00 0.00 55.97 53.73 1imu s LYS 43 Cb 0.03 -1.70 0.09 0.00 -1.51 0.00 0.00 37.83 34.73 1imu s LYS 43 CO -0.09 0.33 0.80 0.14 -0.36 0.00 0.00 175.35 176.17 1imu s VAL 44 N -2.29 0.00 0.25 4.02 -7.23 0.80 -4.71 120.40 111.24 1imu s VAL 44 Ca 0.26 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.35 1imu s VAL 44 Cb -0.05 -1.00 0.35 0.00 0.56 0.00 0.00 36.38 36.23 1imu s VAL 44 CO 0.12 0.00 1.60 -0.65 -0.31 0.00 0.00 175.10 175.86 1imu h PRO 45 N 3.73 0.02 -0.82 4.82 0.11 -2.01 0.81 132.00 138.66 1imu h PRO 45 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1imu h PRO 45 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1imu h PRO 45 CO 0.23 0.02 0.00 -1.71 -0.21 0.00 0.00 178.00 176.33 1imu n ASN 46 N -5.49 0.96 0.00 -2.05 2.85 -1.26 -4.93 115.26 105.34 1imu n ASN 46 Ca 0.14 -2.02 0.00 0.00 -0.11 0.00 0.00 54.58 52.59 1imu n ASN 46 Cb 0.47 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1imu n ASN 46 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1imu n GLY 47 N 0.11 3.36 3.63 8.20 0.00 0.28 -4.66 105.19 116.10 1imu n GLY 47 Ca 0.01 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.14 3.28 -0.26 1.61 0.40 0.48 -0.14 117.98 121.20 1imu s PHE 48 Ca 0.00 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1imu s PHE 48 Cb 0.00 -2.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.92 1imu s PHE 48 CO 0.00 -0.16 0.19 -1.12 0.70 0.00 0.00 175.22 174.83 1imu s SER 49 N 1.44 6.07 -0.08 1.36 0.01 0.69 -0.73 113.70 122.47 1imu s SER 49 Ca 0.16 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.49 1imu s SER 49 Cb -0.15 -2.12 0.02 0.00 0.21 0.00 0.00 66.02 63.97 1imu s SER 49 CO 0.09 -0.01 -0.10 -0.69 0.41 0.00 0.00 173.24 172.94 1imu s VAL 50 N 1.49 1.03 -0.16 3.43 1.01 0.11 0.19 120.40 127.50 1imu s VAL 50 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1imu s VAL 50 Cb -0.15 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.28 1imu s VAL 50 CO 0.08 0.34 -0.12 -1.83 0.00 0.00 0.00 175.10 173.58 1imu s GLU 51 N 1.03 2.14 0.08 2.72 -1.05 0.14 -0.18 118.70 123.57 1imu s GLU 51 Ca -0.08 -0.62 -0.10 0.00 -0.15 0.00 0.00 54.97 54.02 1imu s GLU 51 Cb -0.15 -2.16 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 1imu s GLU 51 CO -0.01 -0.30 0.40 0.00 0.95 0.00 0.00 175.26 176.30 1imu s ALA 52 N 1.48 3.73 -0.16 -0.84 0.00 0.72 -0.22 121.76 126.46 1imu s ALA 52 Ca 0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1imu s ALA 52 Cb -0.14 -2.27 0.06 0.00 0.00 0.00 0.00 23.12 20.78 1imu s ALA 52 CO -0.10 0.57 0.10 -1.54 0.00 0.00 0.00 175.76 174.79 1imu s SER 53 N -1.75 2.18 0.31 0.00 1.04 -1.04 0.10 113.70 114.54 1imu s SER 53 Ca 0.33 -0.53 0.04 0.00 0.48 0.00 0.00 55.95 56.26 1imu s SER 53 Cb -0.14 -0.18 -0.06 0.00 0.10 0.00 0.00 66.02 65.74 1imu s SER 53 CO 0.18 -0.34 0.06 -0.63 0.98 0.00 0.00 173.24 173.48 1imu s ILE 54 N 2.16 1.15 0.16 -1.02 1.01 0.31 0.65 121.20 125.61 1imu s ILE 54 Ca 0.03 -2.00 0.11 0.00 0.00 0.00 0.00 60.65 58.78 1imu s ILE 54 Cb -0.16 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1imu s ILE 54 CO -0.09 -0.02 -0.25 -0.83 0.00 0.00 0.00 174.94 173.75 1imu s GLY 55 N -3.46 1.63 -0.11 6.18 0.00 -1.10 0.18 107.32 110.64 1imu s GLY 55 Ca 0.36 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 43.42 1imu s GLY 55 CO 0.15 -1.56 0.30 -0.51 0.00 0.00 0.00 173.10 171.49 1imu s THR 56 N -1.39 0.00 0.43 0.90 -4.23 -1.23 0.11 115.64 110.24 1imu s THR 56 Ca 0.17 -0.04 0.27 0.00 -1.18 0.00 0.00 61.69 60.91 1imu s THR 56 Cb -0.09 -0.44 0.27 0.00 1.34 0.00 0.00 72.50 73.57 1imu s THR 56 CO 0.08 -0.02 1.79 -0.65 -0.54 0.00 0.00 174.62 175.28 1imu h PRO 57 N 5.52 0.00 0.00 3.99 0.11 -1.99 0.37 132.00 140.01 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 -1.53 1.28 -0.21 0.00 0.00 178.00 177.86 1imu n LEU 58 N -2.65 0.39 0.00 2.35 4.77 -1.26 -5.01 117.00 115.59 1imu n LEU 58 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1imu n LEU 58 Cb 0.30 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1imu n LEU 58 CO 0.12 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1imu n GLY 59 N 1.23 3.59 3.63 -0.72 0.00 0.13 -5.02 105.19 108.02 1imu n GLY 59 Ca -0.02 -0.16 -0.49 0.00 0.00 0.00 0.00 46.02 45.35 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 2.32 -4.79 1.61 4.13 -1.25 -3.51 115.26 113.76 1imu n ASN 60 Ca 0.00 1.10 -0.38 0.00 1.68 0.00 0.00 54.58 56.98 1imu n ASN 60 Cb 0.00 -1.29 -0.06 0.00 -1.54 0.00 0.00 39.78 36.89 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 0.80 4.45 0.00 3.41 1.43 0.49 -4.88 118.68 124.37 1imu s LEU 61 Ca 0.82 1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 54.84 1imu s LEU 61 Cb -0.83 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1imu s LEU 61 CO 0.43 0.21 0.33 -0.76 0.23 0.00 0.00 176.35 176.80 1imu s LEU 62 N -0.63 0.75 0.18 1.79 1.43 -1.26 0.11 118.68 121.05 1imu s LEU 62 Ca 0.27 0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.19 1imu s LEU 62 Cb -0.18 1.38 0.06 0.00 0.03 0.00 0.00 46.19 47.48 1imu s LEU 62 CO 0.15 -0.51 0.69 0.00 0.23 0.00 0.00 176.35 176.91 1imu s ALA 63 N -1.66 -1.52 -0.28 4.21 0.00 0.12 -4.63 121.76 118.00 1imu s ALA 63 Ca -0.11 0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.93 1imu s ALA 63 Cb -0.04 0.81 0.11 0.00 0.00 0.00 0.00 23.12 24.00 1imu s ALA 63 CO 0.03 -0.86 0.88 -1.54 0.00 0.00 0.00 175.76 174.26 1imu s SER 64 N -2.78 -0.64 -0.08 0.00 1.04 -1.25 -0.20 113.70 109.78 1imu s SER 64 Ca 0.05 1.12 -0.16 0.00 0.48 0.00 0.00 55.95 57.45 1imu s SER 64 Cb -0.02 1.20 0.03 0.00 0.10 0.00 0.00 66.02 67.33 1imu s SER 64 CO -0.06 -0.19 0.38 0.00 0.98 0.00 0.00 173.24 174.36 1imu s ALA 65 N 0.86 -0.96 -0.29 5.32 0.00 0.75 -4.90 121.76 122.55 1imu s ALA 65 Ca -0.04 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1imu s ALA 65 Cb -0.05 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.85 1imu s ALA 65 CO -0.10 -0.23 -0.05 0.99 0.00 0.00 0.00 175.76 176.36 1imu s THR 66 N -0.55 2.27 0.04 0.00 2.01 -1.25 0.08 115.64 118.24 1imu s THR 66 Ca -0.07 -1.83 0.01 0.00 0.31 0.00 0.00 61.69 60.11 1imu s THR 66 Cb -0.04 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 1imu s THR 66 CO 0.03 -0.21 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.26 1imu s SER 67 N 1.07 0.64 0.00 3.53 0.01 0.09 -4.79 113.70 114.25 1imu s SER 67 Ca -0.03 -0.68 0.17 0.00 1.31 0.00 0.00 55.95 56.72 1imu s SER 67 Cb -0.20 0.09 0.93 0.00 0.21 0.00 0.00 66.02 67.06 1imu s SER 67 CO -0.06 -0.34 1.44 -0.67 0.41 0.00 0.00 173.24 174.02 1imu n ASP 68 N 1.06 0.00 -4.14 2.44 -0.08 -1.26 0.18 116.55 114.75 1imu n ASP 68 Ca -0.20 -0.29 -0.35 0.00 -1.51 0.00 0.00 54.79 52.43 1imu n ASP 68 Cb 0.57 -0.12 -0.13 0.00 2.34 0.00 0.00 41.12 43.78 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1imu s ASP 69 N -2.23 5.09 0.00 1.67 1.11 -1.26 -4.78 116.67 116.27 1imu s ASP 69 Ca 0.21 -1.72 0.00 0.00 0.18 0.00 0.00 52.55 51.22 1imu s ASP 69 Cb 0.11 -1.77 0.00 0.00 1.07 0.00 0.00 42.92 42.33 1imu s ASP 69 CO 0.22 -0.42 0.93 0.23 1.18 0.00 0.00 175.17 177.32 1imu n MET 70 N 4.59 0.00 0.26 8.23 2.81 -1.26 0.17 117.12 131.92 1imu n MET 70 Ca -0.06 0.93 0.12 0.00 -1.81 0.00 0.00 57.70 56.89 1imu n MET 70 Cb 0.42 -1.41 0.70 0.00 -0.71 0.00 0.00 33.22 32.23 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 -0.10 2.03 -1.99 -1.96 -0.13 116.97 114.82 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 -0.87 0.13 -0.74 -0.22 -0.00 0.00 0.00 178.16 176.46 1imu h LYS 72 N 0.00 0.51 0.03 4.88 3.64 -1.39 1.67 116.57 125.92 1imu h LYS 72 Ca -0.00 -0.42 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1imu h LYS 72 Cb 0.38 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1imu h LYS 72 CO 0.02 1.05 -0.01 0.00 -2.27 0.00 0.00 179.45 178.23 1imu h ALA 73 N 0.84 -0.04 -0.57 5.00 0.00 0.29 1.69 119.26 126.47 1imu h ALA 73 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1imu h ALA 73 Cb 1.32 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1imu h ALA 73 CO 0.13 -0.45 0.32 0.82 0.00 0.00 0.00 179.25 180.07 1imu h ILE 74 N -0.19 1.17 -0.89 0.00 2.04 -0.95 0.22 117.51 118.91 1imu h ILE 74 Ca -0.00 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1imu h ILE 74 Cb 0.17 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1imu h ILE 74 CO 0.01 0.18 0.58 -1.13 0.00 0.00 0.00 178.15 177.79 1imu h ASN 75 N 0.78 0.99 0.24 1.72 -0.73 0.41 0.19 115.58 119.19 1imu h ASN 75 Ca 0.20 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 1imu h ASN 75 Cb 0.01 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.36 1imu h ASN 75 CO -0.03 0.70 -0.12 -0.08 -0.37 0.00 0.00 177.43 177.53 1imu h GLU 76 N 1.17 -0.32 -0.47 6.67 4.57 0.48 -2.13 114.58 124.55 1imu h GLU 76 Ca 0.34 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.63 1imu h GLU 76 Cb -0.08 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.49 1imu h GLU 76 CO -0.09 0.03 -0.10 0.28 -1.18 0.00 0.00 179.01 177.95 1imu h VAL 77 N -0.73 0.54 -0.61 0.32 2.07 -0.40 0.48 116.25 117.92 1imu h VAL 77 Ca -0.03 -0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1imu h VAL 77 Cb 0.49 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1imu h VAL 77 CO 0.06 0.00 0.41 -0.08 0.02 0.00 0.00 177.57 177.98 1imu h GLU 78 N 0.01 0.44 -0.25 1.57 4.22 -0.64 0.89 114.58 120.82 1imu h GLU 78 Ca 0.23 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.56 1imu h GLU 78 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1imu h GLU 78 CO -0.48 0.29 -0.16 0.93 -2.18 0.00 0.00 179.01 177.41 1imu h GLU 79 N 0.45 0.56 -0.20 1.92 4.39 0.52 0.35 114.58 122.56 1imu h GLU 79 Ca 0.28 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1imu h GLU 79 Cb 0.50 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1imu h GLU 79 CO -0.08 0.83 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.32 1imu h LYS 80 N 0.28 0.40 -0.56 2.33 1.63 0.98 0.38 116.57 122.01 1imu h LYS 80 Ca 0.05 -0.16 -0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1imu h LYS 80 Cb 0.69 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 1imu h LYS 80 CO 0.04 0.67 0.35 1.25 -3.45 0.00 0.00 179.45 178.31 1imu h LEU 81 N 0.12 0.67 0.33 5.20 7.12 0.76 0.29 115.31 129.79 1imu h LEU 81 Ca 0.05 -0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1imu h LEU 81 Cb 0.53 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1imu h LEU 81 CO 0.02 0.51 -0.16 -0.08 -0.13 0.00 0.00 178.44 178.61 1imu h GLU 82 N 0.76 -0.43 -0.66 1.25 4.81 -0.22 0.18 114.58 120.27 1imu h GLU 82 Ca 0.20 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.60 1imu h GLU 82 Cb -0.04 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.33 1imu h GLU 82 CO -0.04 -0.10 0.06 -0.09 -0.73 0.00 0.00 179.01 178.11 1imu h ARG 83 N -0.85 0.17 -0.49 1.92 2.43 -0.17 0.47 114.38 117.85 1imu h ARG 83 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1imu h ARG 83 Cb 0.52 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 1imu h ARG 83 CO 0.07 0.11 0.32 1.96 -1.51 0.00 0.00 179.97 180.92 1imu h GLN 84 N 0.17 0.65 -0.50 0.20 4.20 -0.37 0.12 115.11 119.57 1imu h GLN 84 Ca 0.35 -0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.12 1imu h GLN 84 Cb 0.58 -0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.12 1imu h GLN 84 CO -0.52 0.44 -0.14 -0.07 -0.67 0.00 0.00 178.83 177.87 1imu h LEU 85 N 0.66 -0.50 -0.93 1.46 3.38 0.29 0.49 115.31 120.15 1imu h LEU 85 Ca 0.18 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.32 1imu h LEU 85 Cb -0.06 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1imu h LEU 85 CO -0.04 -0.18 0.61 -1.13 0.09 0.00 0.00 178.44 177.80 1imu h ASN 86 N -0.01 1.05 -0.11 -0.43 -0.73 0.24 0.11 115.58 115.70 1imu h ASN 86 Ca 0.24 -0.02 0.02 0.00 1.87 0.00 0.00 56.30 58.41 1imu h ASN 86 Cb 0.38 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.70 1imu h ASN 86 CO -0.52 0.75 -0.02 0.50 -0.37 0.00 0.00 177.43 177.76 1imu h LYS 87 N 1.23 0.01 0.38 6.67 3.64 0.23 1.12 116.57 129.85 1imu h LYS 87 Ca 0.35 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1imu h LYS 87 Cb -0.09 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1imu h LYS 87 CO -0.09 0.01 -0.32 -0.07 -2.27 0.00 0.00 179.45 176.71 1imu h LEU 88 N 0.01 -0.84 -2.19 5.20 3.38 0.46 0.87 115.31 122.20 1imu h LEU 88 Ca 0.05 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1imu h LEU 88 Cb 0.07 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1imu h LEU 88 CO -0.11 -0.47 0.10 1.56 0.09 0.00 0.00 178.44 179.62 1imu h GLN 89 N -0.71 0.00 0.08 1.13 4.20 -0.52 -2.38 115.11 116.92 1imu h GLN 89 Ca -0.03 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1imu h GLN 89 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1imu h GLN 89 CO -0.02 0.00 -0.04 0.45 -0.67 0.00 0.00 178.83 178.54 1imu h HIS 90 N 0.00 -0.11 0.00 2.96 3.86 0.28 -3.38 115.15 118.76 1imu h HIS 90 Ca 0.05 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1imu h HIS 90 Cb 0.25 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1imu h HIS 90 CO 0.00 0.42 0.00 1.63 0.86 0.00 0.00 177.93 180.84 1imu n LYS 91 N -4.82 0.00 -3.06 2.45 5.02 0.29 -4.29 118.16 113.75 1imu n LYS 91 Ca -0.07 0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 1imu n LYS 91 Cb 0.28 -1.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 1imu n LYS 91 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1imu s SER 92 N -2.44 6.35 0.00 4.39 0.15 -0.96 -4.88 113.70 116.31 1imu s SER 92 Ca 0.00 -0.25 0.20 0.00 0.70 0.00 0.00 55.95 56.60 1imu s SER 92 Cb 0.00 -2.34 0.15 0.00 -1.71 0.00 0.00 66.02 62.12 1imu s SER 92 CO 0.00 -0.82 1.14 1.21 1.20 0.00 0.00 173.24 175.97 1imu n GLU 93 N 6.40 1.82 0.00 5.44 2.13 -1.26 -4.62 120.64 130.55 1imu n GLU 93 Ca -0.00 -1.67 0.00 0.00 0.66 0.00 0.00 57.16 56.15 1imu n GLU 93 Cb 0.48 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1imu n GLU 93 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1imu n SER 94 N 1.08 0.00 -2.36 4.31 2.88 -1.26 -4.60 113.62 113.66 1imu n SER 94 Ca 0.12 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1imu n SER 94 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1imu n SER 94 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1imu n ARG 95 N 0.00 -2.03 -3.63 -1.46 3.00 -1.26 -5.05 116.66 106.22 1imu n ARG 95 Ca 0.00 1.85 -0.27 0.00 -0.00 0.00 0.00 57.85 59.43 1imu n ARG 95 Cb 0.00 -4.13 -0.16 0.00 0.00 0.00 0.00 32.46 28.17 1imu n ARG 95 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1imu s ARG 96 N -1.54 0.26 -0.29 -0.14 0.52 -1.26 -5.11 118.95 111.40 1imu s ARG 96 Ca 0.08 -0.31 -0.10 0.00 -0.52 0.00 0.00 55.73 54.87 1imu s ARG 96 Cb -0.02 -1.76 0.12 0.00 0.52 0.00 0.00 34.95 33.81 1imu s ARG 96 CO 0.52 -0.76 0.63 0.00 0.02 0.00 0.00 175.30 175.71 1imu s ALA 97 N 2.04 -1.93 0.22 2.13 0.00 -1.26 -5.14 121.76 117.81 1imu s ALA 97 Ca 0.03 2.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 1imu s ALA 97 Cb -0.16 -1.69 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 1imu s ALA 97 CO -0.16 -0.86 1.34 -0.51 0.00 0.00 0.00 175.76 175.58 1imu s ASP 98 N 2.75 6.83 -0.87 0.00 1.11 -1.26 -4.95 116.67 120.28 1imu s ASP 98 Ca -0.06 2.48 -0.22 0.00 0.18 0.00 0.00 52.55 54.93 1imu s ASP 98 Cb -0.11 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.34 1imu s ASP 98 CO -0.18 -0.57 1.22 -0.70 1.18 0.00 0.00 175.17 176.11 1imu s GLU 99 N -0.24 3.43 0.01 8.23 2.12 -1.26 -4.40 118.70 126.59 1imu s GLU 99 Ca 0.57 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1imu s GLU 99 Cb -0.38 -4.80 0.00 0.00 0.26 0.00 0.00 34.13 29.21 1imu s GLU 99 CO 0.40 -1.98 0.00 -2.13 -0.54 0.00 0.00 175.26 171.01 1imu n ARG 100 N 7.95 0.00 -4.23 4.30 3.00 -1.26 -5.13 116.66 121.29 1imu n ARG 100 Ca 0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.83 1imu n ARG 100 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.79 1imu n ARG 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1imu s LEU 101 N -4.44 1.45 0.12 6.15 1.98 -1.26 -5.04 118.68 117.63 1imu s LEU 101 Ca 0.00 -0.15 -0.20 0.00 -2.89 0.00 0.00 54.13 50.89 1imu s LEU 101 Cb 0.00 -0.48 -0.08 0.00 0.66 0.00 0.00 46.19 46.29 1imu s LEU 101 CO 0.00 -0.03 1.76 0.07 -1.89 0.00 0.00 176.35 176.27 1imu h LYS 102 N 7.00 0.19 -5.04 1.98 2.10 -2.01 -3.49 116.57 117.31 1imu h LYS 102 Ca -0.37 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.28 1imu h LYS 102 Cb 1.16 -0.04 -0.12 0.00 -0.90 0.00 0.00 32.23 32.33 1imu h LYS 102 CO 0.48 0.13 -1.47 -0.25 -2.00 0.00 0.00 179.45 176.34 1imu n ASP 103 N -4.99 -1.53 -2.67 7.07 9.92 -1.26 -5.03 116.55 118.07 1imu n ASP 103 Ca -0.04 1.38 -0.06 0.00 -0.53 0.00 0.00 54.79 55.55 1imu n ASP 103 Cb 0.04 -5.06 0.09 0.00 -0.64 0.00 0.00 41.12 35.55 1imu n ASP 103 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1imu n SER 104 N 1.79 -1.67 0.09 -2.24 7.64 -1.26 -4.98 113.62 112.99 1imu n SER 104 Ca -0.37 -2.24 -0.01 0.00 1.01 0.00 0.00 58.87 57.26 1imu n SER 104 Cb 0.57 0.97 0.25 0.00 -1.01 0.00 0.00 64.21 64.99 1imu n SER 104 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1imu h PHE 105 N 1.70 0.30 -3.88 1.43 0.04 -2.05 -3.43 116.94 111.05 1imu h PHE 105 Ca -0.35 -0.07 -0.48 0.00 2.80 0.00 0.00 57.97 59.86 1imu h PHE 105 Cb 1.28 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1imu h PHE 105 CO 0.08 0.59 0.40 -1.21 -0.60 0.00 0.00 178.31 177.57 1imu s GLU 106 N -4.26 4.47 0.00 1.51 8.01 -1.26 -5.36 118.70 121.81 1imu s GLU 106 Ca -0.05 1.53 0.00 0.00 0.01 0.00 0.00 54.97 56.46 1imu s GLU 106 Cb 0.14 -2.84 0.00 0.00 -4.31 0.00 0.00 34.13 27.11 1imu s GLU 106 CO 0.77 0.13 0.41 -1.71 0.01 0.00 0.00 175.26 174.86