#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 0.50 -2.40 2.03 -2.24 -1.26 -4.62 114.28 106.28 1imu n THR 2 Ca 0.00 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1imu n THR 2 Cb 0.00 -1.83 -0.02 0.00 -2.10 0.00 0.00 70.33 66.38 1imu n THR 2 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1imu s LEU 3 N 3.64 3.71 0.46 3.22 0.20 -1.26 -4.16 118.68 124.49 1imu s LEU 3 Ca 0.91 0.95 -0.02 0.00 0.69 0.00 0.00 54.13 56.65 1imu s LEU 3 Cb -0.69 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.51 1imu s LEU 3 CO 0.50 -1.28 0.71 0.20 -0.29 0.00 0.00 176.35 176.19 1imu s ASN 4 N 3.34 6.02 0.39 3.68 0.01 0.11 -4.82 114.94 123.66 1imu s ASN 4 Ca 0.58 0.56 0.05 0.00 -0.71 0.00 0.00 52.86 53.34 1imu s ASN 4 Cb -0.14 -1.87 -0.06 0.00 0.41 0.00 0.00 41.25 39.59 1imu s ASN 4 CO 0.29 -0.63 0.04 0.27 -1.51 0.00 0.00 177.10 175.55 1imu s ILE 5 N -2.62 1.47 -0.25 0.60 -0.00 -1.26 -0.35 121.20 118.79 1imu s ILE 5 Ca 0.47 -2.00 0.09 0.00 -0.00 0.00 0.00 60.65 59.21 1imu s ILE 5 Cb -0.10 -2.76 0.30 0.00 -0.00 0.00 0.00 42.46 39.90 1imu s ILE 5 CO 0.40 0.00 1.31 0.41 -0.00 0.00 0.00 174.94 177.06 1imu n THR 6 N -0.90 0.00 -1.64 8.37 -1.04 -1.05 -4.82 114.28 113.21 1imu n THR 6 Ca -0.06 -0.72 -0.48 0.00 -2.04 0.00 0.00 64.05 60.74 1imu n THR 6 Cb 0.67 0.85 -0.05 0.00 -1.82 0.00 0.00 70.33 69.98 1imu n THR 6 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1imu n SER 7 N -1.13 3.22 -0.14 8.00 7.64 -1.26 -4.63 113.62 125.32 1imu n SER 7 Ca -0.16 0.80 -0.10 0.00 1.01 0.00 0.00 58.87 60.42 1imu n SER 7 Cb 0.79 -1.37 -0.01 0.00 -1.01 0.00 0.00 64.21 62.61 1imu n SER 7 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1imu h LYS 8 N 10.33 0.66 0.00 1.43 2.10 -1.96 -3.44 116.57 125.70 1imu h LYS 8 Ca -0.44 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 1imu h LYS 8 Cb 1.28 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1imu h LYS 8 CO 0.96 0.71 0.00 0.00 -2.00 0.00 0.00 179.45 179.12 1imu n GLN 9 N -4.53 0.00 -1.45 0.07 10.64 -1.26 -4.95 117.38 115.90 1imu n GLN 9 Ca -0.01 0.00 -0.52 0.00 -1.83 0.00 0.00 57.00 54.65 1imu n GLN 9 Cb 0.23 0.00 -0.07 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 0.00 1.05 -0.26 2.61 0.00 -1.26 -4.91 117.12 114.35 1imu n MET 10 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 57.70 57.74 1imu n MET 10 Cb 0.00 -2.39 0.24 0.00 0.00 0.00 0.00 33.22 31.07 1imu n MET 10 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1imu n ASP 11 N 9.38 -3.81 -4.83 3.17 5.75 -1.26 -4.75 116.55 120.19 1imu n ASP 11 Ca 0.41 -0.72 -0.33 0.00 -0.01 0.00 0.00 54.79 54.13 1imu n ASP 11 Cb 0.21 -0.88 -0.06 0.00 -1.03 0.00 0.00 41.12 39.36 1imu n ASP 11 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1imu s ILE 12 N -2.00 5.03 0.31 2.12 -0.00 -1.26 -5.02 121.20 120.38 1imu s ILE 12 Ca 0.55 -0.28 0.06 0.00 -0.00 0.00 0.00 60.65 60.98 1imu s ILE 12 Cb -0.10 -3.31 -0.03 0.00 -0.00 0.00 0.00 42.46 39.02 1imu s ILE 12 CO 0.46 0.36 0.27 0.42 -0.00 0.00 0.00 174.94 176.45 1imu s THR 13 N -1.23 0.00 0.28 8.37 -4.23 -1.26 -4.96 115.64 112.62 1imu s THR 13 Ca 0.24 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1imu s THR 13 Cb -0.12 -2.51 0.30 0.00 1.34 0.00 0.00 72.50 71.51 1imu s THR 13 CO 0.15 0.00 1.66 -0.65 -0.54 0.00 0.00 174.62 175.23 1imu h PRO 14 N 2.21 0.22 0.00 3.99 0.11 -1.99 0.19 132.00 136.74 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 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1imu h PRO 14 CO 0.39 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 1imu n ALA 15 N -2.69 0.00 0.01 -0.75 0.00 -1.26 0.17 120.51 116.00 1imu n ALA 15 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.52 1imu n ALA 15 Cb 0.65 0.06 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 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 0.14 -0.98 0.00 -2.65 -1.96 0.42 117.51 112.48 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 0.14 -0.14 0.00 -2.05 0.00 0.00 36.82 34.77 1imu h ILE 16 CO 0.00 0.00 -0.48 -1.14 0.03 0.00 0.00 178.15 176.56 1imu n ARG 17 N -5.44 -0.33 -0.28 0.16 0.63 0.68 0.16 116.66 112.23 1imu n ARG 17 Ca -0.04 1.49 -0.02 0.00 -0.92 0.00 0.00 57.85 58.35 1imu n ARG 17 Cb 0.36 -2.20 0.15 0.00 0.45 0.00 0.00 32.46 31.22 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 1.14 0.30 -0.14 4.57 0.52 0.16 114.58 121.14 1imu h GLU 18 Ca 0.25 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1imu h GLU 18 Cb 0.49 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1imu h GLU 18 CO -0.94 0.82 -0.15 1.25 -1.18 0.00 0.00 179.01 178.81 1imu h HIS 19 N 1.16 -0.38 -0.54 0.92 2.76 0.58 0.77 115.15 120.43 1imu h HIS 19 Ca 0.30 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.56 1imu h HIS 19 Cb -0.00 0.12 -0.11 0.00 1.55 0.00 0.00 27.41 28.98 1imu h HIS 19 CO 0.01 -0.23 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.02 1imu h LEU 20 N -0.44 -1.08 0.24 0.26 3.38 0.16 0.90 115.31 118.73 1imu h LEU 20 Ca -0.04 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1imu h LEU 20 Cb 0.31 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1imu h LEU 20 CO 0.07 -0.30 -0.27 -0.33 0.09 0.00 0.00 178.44 177.70 1imu h GLU 21 N -0.17 -0.54 -0.99 1.13 5.08 -0.68 0.12 114.58 118.53 1imu h GLU 21 Ca 0.22 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.77 1imu h GLU 21 Cb 0.54 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1imu h GLU 21 CO -0.63 -0.36 0.62 0.93 -1.00 0.00 0.00 179.01 178.57 1imu h GLU 22 N -0.56 0.83 -0.30 2.33 4.39 0.18 0.29 114.58 121.74 1imu h GLU 22 Ca 0.00 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1imu h GLU 22 Cb 0.53 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1imu h GLU 22 CO -0.08 0.55 0.16 -0.09 -1.16 0.00 0.00 179.01 178.39 1imu h ARG 23 N 0.85 0.42 0.23 2.33 9.65 0.18 0.31 114.38 128.35 1imu h ARG 23 Ca 0.53 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.35 1imu h ARG 23 Cb 0.71 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1imu h ARG 23 CO -0.31 0.37 -0.12 1.25 2.80 0.00 0.00 179.97 183.96 1imu h LEU 24 N 0.36 -0.30 -1.80 3.80 5.85 0.14 0.29 115.31 123.66 1imu h LEU 24 Ca 0.11 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1imu h LEU 24 Cb 0.07 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1imu h LEU 24 CO -0.02 -0.20 0.35 0.00 -0.34 0.00 0.00 178.44 178.23 1imu h ALA 25 N 0.44 2.18 -0.12 1.25 0.00 -0.30 0.26 119.26 122.98 1imu h ALA 25 Ca -0.03 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1imu h ALA 25 Cb 0.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1imu h ALA 25 CO 0.04 -0.31 -0.70 -0.22 0.00 0.00 0.00 179.25 178.06 1imu h LYS 26 N 0.22 0.55 0.00 0.00 3.64 0.74 -2.85 116.57 118.86 1imu h LYS 26 Ca 0.24 -0.42 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1imu h LYS 26 Cb 0.64 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1imu h LYS 26 CO -0.04 1.05 0.00 1.28 -2.27 0.00 0.00 179.45 179.46 1imu n LEU 27 N -3.89 0.00 0.08 5.20 4.77 0.92 -3.38 117.00 120.70 1imu n LEU 27 Ca -0.05 0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 56.37 1imu n LEU 27 Cb 0.70 -0.46 0.23 0.00 -2.33 0.00 0.00 43.42 41.55 1imu n LEU 27 CO 0.49 -0.00 0.67 1.23 -1.33 0.00 0.00 177.39 178.45 1imu h GLY 28 N 4.97 0.32 1.17 -0.72 0.00 -0.38 -2.46 103.07 105.96 1imu h GLY 28 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1imu h GLY 28 CO 0.00 0.26 0.00 0.58 0.00 0.00 0.00 176.54 177.38 1imu n LYS 29 N -4.06 0.73 -0.28 4.80 2.85 -1.22 -4.05 118.16 116.93 1imu n LYS 29 Ca -0.01 0.01 -0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1imu n LYS 29 Cb 0.45 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 1imu n LYS 29 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1imu n TRP 30 N -1.08 0.03 -1.62 5.58 7.02 -0.93 -4.75 117.44 121.69 1imu n TRP 30 Ca 0.19 -0.78 -0.14 0.00 -1.02 0.00 0.00 57.50 55.74 1imu n TRP 30 Cb 0.13 -0.39 -0.05 0.00 -2.42 0.00 0.00 31.31 28.58 1imu n TRP 30 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 1imu n GLN 31 N 1.01 -1.47 -4.56 -0.99 -0.06 -1.26 -4.91 117.38 105.14 1imu n GLN 31 Ca 0.01 0.80 -0.26 0.00 -2.00 0.00 0.00 57.00 55.55 1imu n GLN 31 Cb 0.51 -5.14 -0.10 0.00 -4.06 0.00 0.00 30.24 21.45 1imu n GLN 31 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1imu s THR 32 N -2.30 1.39 -0.33 1.69 2.01 -1.26 -5.09 115.64 111.75 1imu s THR 32 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1imu s THR 32 Cb 0.00 -2.73 0.12 0.00 0.01 0.00 0.00 72.50 69.90 1imu s THR 32 CO 0.00 0.00 0.16 0.00 -0.69 0.00 0.00 174.62 174.09 1imu s GLN 33 N -3.81 0.60 -0.53 4.92 0.00 -1.26 -4.79 119.66 114.79 1imu s GLN 33 Ca 0.30 -1.12 -0.27 0.00 -0.00 0.00 0.00 55.36 54.28 1imu s GLN 33 Cb 0.07 -1.62 -0.09 0.00 0.00 0.00 0.00 33.01 31.37 1imu s GLN 33 CO 0.15 -1.08 2.44 1.28 0.00 0.00 0.00 175.29 178.08 1imu n LEU 34 N 4.57 2.12 -4.56 2.60 7.99 -1.25 -4.49 117.00 123.98 1imu n LEU 34 Ca 0.02 -0.38 -0.40 0.00 -0.01 0.00 0.00 56.01 55.23 1imu n LEU 34 Cb 0.40 -1.50 -0.03 0.00 -0.11 0.00 0.00 43.42 42.18 1imu n LEU 34 CO 0.12 -1.43 1.39 -0.63 -1.51 0.00 0.00 177.39 175.33 1imu s ILE 35 N 11.61 3.58 -0.17 -0.08 1.01 0.31 -4.29 121.20 133.19 1imu s ILE 35 Ca 1.03 0.41 -0.02 0.00 0.00 0.00 0.00 60.65 62.08 1imu s ILE 35 Cb -0.32 -4.31 0.01 0.00 0.01 0.00 0.00 42.46 37.84 1imu s ILE 35 CO 0.30 -1.19 0.03 -0.24 0.00 0.00 0.00 174.94 173.84 1imu n SER 36 N 10.82 -6.55 -4.85 3.58 2.88 -1.26 -2.30 113.62 115.94 1imu n SER 36 Ca 0.14 1.05 -0.37 0.00 -1.33 0.00 0.00 58.87 58.36 1imu n SER 36 Cb 0.50 -3.78 -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 -1.16 3.71 0.26 -1.46 0.04 -1.26 -3.70 135.00 131.42 1imu s PRO 37 Ca -0.04 0.13 0.02 0.00 0.04 0.00 0.00 61.00 61.16 1imu s PRO 37 Cb 0.00 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1imu s PRO 37 CO 0.46 0.71 0.05 -1.01 0.04 0.00 0.00 177.00 177.25 1imu s HIS 38 N -0.96 1.60 -0.27 0.56 3.76 0.11 0.07 115.29 120.15 1imu s HIS 38 Ca 0.19 -1.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1imu s HIS 38 Cb -0.14 -0.96 0.15 0.00 1.11 0.00 0.00 32.58 32.74 1imu s HIS 38 CO 0.08 -0.18 0.42 -0.06 -0.85 0.00 0.00 174.74 174.15 1imu s PHE 39 N -3.56 -1.00 -0.95 1.40 0.40 0.52 -2.21 117.98 112.58 1imu s PHE 39 Ca 0.34 0.70 -0.19 0.00 -0.60 0.00 0.00 56.93 57.18 1imu s PHE 39 Cb 0.07 0.00 0.12 0.00 0.51 0.00 0.00 43.02 43.73 1imu s PHE 39 CO 0.12 -0.85 1.17 0.08 0.70 0.00 0.00 175.22 176.44 1imu s VAL 40 N 2.58 4.66 -0.01 -0.44 1.01 0.42 -2.53 120.40 126.09 1imu s VAL 40 Ca 0.12 -1.54 -0.17 0.00 0.00 0.00 0.00 61.98 60.39 1imu s VAL 40 Cb -0.14 -4.82 -0.06 0.00 0.00 0.00 0.00 36.38 31.37 1imu s VAL 40 CO -0.23 -1.56 0.47 -0.22 0.00 0.00 0.00 175.10 173.57 1imu s LEU 41 N 2.88 4.44 0.13 3.92 2.96 -1.26 -0.13 118.68 131.62 1imu s LEU 41 Ca 0.35 1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 55.13 1imu s LEU 41 Cb -0.04 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.97 1imu s LEU 41 CO -0.09 0.22 0.34 0.20 -1.32 0.00 0.00 176.35 175.70 1imu s ASN 42 N -0.62 -0.09 0.24 3.68 0.01 0.16 -3.64 114.94 114.67 1imu s ASN 42 Ca 0.26 -0.52 0.05 0.00 -0.71 0.00 0.00 52.86 51.93 1imu s ASN 42 Cb -0.17 0.44 -0.05 0.00 0.41 0.00 0.00 41.25 41.88 1imu s ASN 42 CO 0.14 -0.85 -0.03 -0.75 -1.51 0.00 0.00 177.10 174.10 1imu s LYS 43 N -3.86 1.38 0.12 -0.60 2.20 -1.26 -0.18 119.74 117.54 1imu s LYS 43 Ca 0.07 -1.69 -0.20 0.00 -0.36 0.00 0.00 55.97 53.78 1imu s LYS 43 Cb 0.03 -0.79 0.05 0.00 -1.51 0.00 0.00 37.83 35.61 1imu s LYS 43 CO -0.09 -0.04 0.51 0.14 -0.36 0.00 0.00 175.35 175.51 1imu s VAL 44 N -3.28 0.03 0.26 4.02 -7.23 0.31 -4.68 120.40 109.84 1imu s VAL 44 Ca 0.28 -0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 60.16 1imu s VAL 44 Cb 0.05 -1.05 0.25 0.00 0.56 0.00 0.00 36.38 36.18 1imu s VAL 44 CO 0.09 -0.15 1.71 -0.65 -0.31 0.00 0.00 175.10 175.79 1imu h PRO 45 N 2.35 0.37 -0.04 4.82 0.11 -2.02 0.31 132.00 137.90 1imu h PRO 45 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1imu h PRO 45 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1imu h PRO 45 CO 0.42 0.25 0.00 -1.71 -0.21 0.00 0.00 178.00 176.75 1imu n ASN 46 N -5.06 0.25 0.00 -2.05 2.85 -1.26 -4.98 115.26 105.01 1imu n ASN 46 Ca 0.17 -1.86 0.00 0.00 -0.11 0.00 0.00 54.58 52.78 1imu n ASN 46 Cb 0.51 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.50 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 0.64 0.34 3.05 8.20 0.00 0.11 -4.39 105.19 113.14 1imu n GLY 47 Ca 0.05 -1.33 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 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 1.52 -0.21 1.61 0.40 0.66 0.12 117.98 118.08 1imu s PHE 48 Ca 0.00 -0.53 -0.03 0.00 -0.60 0.00 0.00 56.93 55.77 1imu s PHE 48 Cb 0.00 -1.09 -0.01 0.00 0.51 0.00 0.00 43.02 42.44 1imu s PHE 48 CO 0.00 -0.25 -0.07 -1.54 0.70 0.00 0.00 175.22 174.07 1imu s SER 49 N 0.48 4.14 0.13 1.36 1.04 0.74 -0.47 113.70 121.13 1imu s SER 49 Ca -0.12 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.00 1imu s SER 49 Cb -0.14 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 1imu s SER 49 CO 0.03 -0.00 -0.25 -0.69 0.98 0.00 0.00 173.24 173.31 1imu s VAL 50 N 1.37 2.10 -0.17 5.02 1.01 0.91 0.35 120.40 131.00 1imu s VAL 50 Ca 0.05 -1.74 -0.07 0.00 0.00 0.00 0.00 61.98 60.21 1imu s VAL 50 Cb -0.14 -1.89 0.07 0.00 0.00 0.00 0.00 36.38 34.42 1imu s VAL 50 CO -0.04 0.01 0.37 -0.70 0.00 0.00 0.00 175.10 174.74 1imu s GLU 51 N -2.12 0.31 0.12 2.72 2.12 0.82 0.30 118.70 122.97 1imu s GLU 51 Ca 0.13 0.83 0.04 0.00 0.36 0.00 0.00 54.97 56.33 1imu s GLU 51 Cb -0.10 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1imu s GLU 51 CO 0.06 -0.21 0.09 0.00 -0.54 0.00 0.00 175.26 174.66 1imu s ALA 52 N 1.91 3.52 -0.27 6.30 0.00 0.99 0.16 121.76 134.38 1imu s ALA 52 Ca -0.06 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1imu s ALA 52 Cb -0.10 -1.36 0.15 0.00 0.00 0.00 0.00 23.12 21.80 1imu s ALA 52 CO -0.12 0.64 0.39 -1.12 0.00 0.00 0.00 175.76 175.55 1imu s SER 53 N -2.67 0.34 0.43 0.00 0.01 -0.94 -0.08 113.70 110.79 1imu s SER 53 Ca 0.29 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.54 1imu s SER 53 Cb -0.11 1.10 -0.03 0.00 0.21 0.00 0.00 66.02 67.19 1imu s SER 53 CO 0.22 -0.32 0.06 -0.63 0.41 0.00 0.00 173.24 172.98 1imu s ILE 54 N 2.54 1.02 0.12 1.44 1.01 0.29 0.04 121.20 127.66 1imu s ILE 54 Ca 0.11 -2.00 0.09 0.00 0.00 0.00 0.00 60.65 58.85 1imu s ILE 54 Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1imu s ILE 54 CO -0.22 0.00 -0.21 -0.83 0.00 0.00 0.00 174.94 173.68 1imu s GLY 55 N -3.70 1.31 -0.11 6.18 0.00 -0.97 0.16 107.32 110.19 1imu s GLY 55 Ca 0.20 -1.32 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 1imu s GLY 55 CO 0.11 -1.34 0.39 -0.51 0.00 0.00 0.00 173.10 171.75 1imu s THR 56 N -1.37 0.01 -0.20 0.90 -4.23 -1.23 0.12 115.64 109.64 1imu s THR 56 Ca 0.09 -0.12 0.16 0.00 -1.18 0.00 0.00 61.69 60.65 1imu s THR 56 Cb -0.09 -0.59 0.16 0.00 1.34 0.00 0.00 72.50 73.33 1imu s THR 56 CO 0.05 -0.07 1.46 -2.65 -0.54 0.00 0.00 174.62 172.87 1imu n PRO 57 N 2.39 0.11 0.00 3.99 -0.02 -1.26 0.13 135.00 140.33 1imu n PRO 57 Ca -0.15 0.59 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1imu n PRO 57 Cb 0.57 -1.96 -0.08 0.00 -0.02 0.00 0.00 33.50 32.01 1imu n PRO 57 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1imu n LEU 58 N -2.10 1.19 0.00 2.45 4.32 -1.26 -5.03 117.00 116.57 1imu n LEU 58 Ca -0.01 -0.57 0.00 0.00 -0.02 0.00 0.00 56.01 55.41 1imu n LEU 58 Cb 0.13 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1imu n LEU 58 CO 0.07 0.26 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1imu n GLY 59 N 1.42 4.15 3.67 -0.72 0.00 0.12 -4.91 105.19 108.92 1imu n GLY 59 Ca 0.05 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.06 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 2.43 -4.85 1.61 3.02 -1.26 -3.51 115.26 112.70 1imu n ASN 60 Ca 0.00 1.18 -0.37 0.00 -0.03 0.00 0.00 54.58 55.36 1imu n ASN 60 Cb 0.00 -1.42 -0.06 0.00 -0.61 0.00 0.00 39.78 37.69 1imu n ASN 60 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1imu s LEU 61 N -0.37 4.44 -0.01 3.41 1.43 0.44 -4.88 118.68 123.14 1imu s LEU 61 Ca 0.60 0.82 -0.19 0.00 -1.03 0.00 0.00 54.13 54.33 1imu s LEU 61 Cb -0.63 -2.53 0.04 0.00 0.03 0.00 0.00 46.19 43.10 1imu s LEU 61 CO 0.58 0.32 0.41 -0.76 0.23 0.00 0.00 176.35 177.14 1imu s LEU 62 N -1.20 0.42 0.06 1.79 1.43 -1.26 0.11 118.68 120.03 1imu s LEU 62 Ca 0.23 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 1imu s LEU 62 Cb -0.15 1.65 0.09 0.00 0.03 0.00 0.00 46.19 47.80 1imu s LEU 62 CO 0.12 -0.53 0.88 0.00 0.23 0.00 0.00 176.35 177.05 1imu s ALA 63 N -1.53 -1.74 -0.28 4.21 0.00 0.88 -4.58 121.76 118.72 1imu s ALA 63 Ca -0.11 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 1imu s ALA 63 Cb -0.03 0.54 0.12 0.00 0.00 0.00 0.00 23.12 23.75 1imu s ALA 63 CO 0.04 -0.81 0.98 -1.54 0.00 0.00 0.00 175.76 174.44 1imu s SER 64 N -2.65 -0.51 0.02 0.00 1.04 -1.26 -0.01 113.70 110.34 1imu s SER 64 Ca 0.07 0.94 -0.21 0.00 0.48 0.00 0.00 55.95 57.23 1imu s SER 64 Cb -0.01 1.01 0.04 0.00 0.10 0.00 0.00 66.02 67.17 1imu s SER 64 CO -0.06 -0.16 0.47 0.00 0.98 0.00 0.00 173.24 174.47 1imu s ALA 65 N 0.53 -1.18 -0.09 5.32 0.00 0.15 -4.91 121.76 121.57 1imu s ALA 65 Ca -0.00 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1imu s ALA 65 Cb -0.05 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1imu s ALA 65 CO -0.08 -0.42 -0.14 0.99 0.00 0.00 0.00 175.76 176.11 1imu s THR 66 N -2.08 1.31 0.17 0.00 2.01 -1.26 -0.06 115.64 115.74 1imu s THR 66 Ca -0.08 -0.55 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 1imu s THR 66 Cb -0.01 -1.20 0.06 0.00 0.01 0.00 0.00 72.50 71.35 1imu s THR 66 CO 0.01 0.40 0.59 -0.44 -0.69 0.00 0.00 174.62 174.49 1imu s SER 67 N 0.85 -0.50 0.00 3.53 0.01 0.38 -4.91 113.70 113.06 1imu s SER 67 Ca -0.10 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1imu s SER 67 Cb -0.15 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1imu s SER 67 CO 0.01 -1.00 0.86 -0.90 0.41 0.00 0.00 173.24 172.63 1imu n ASP 68 N -0.37 0.25 -3.83 2.44 5.68 -1.26 0.24 116.55 119.70 1imu n ASP 68 Ca -0.15 -1.97 -0.29 0.00 -0.50 0.00 0.00 54.79 51.87 1imu n ASP 68 Cb 0.64 -0.12 -0.16 0.00 -1.14 0.00 0.00 41.12 40.34 1imu n ASP 68 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1imu s ASP 69 N -0.76 3.69 0.00 -1.12 1.11 -1.26 -4.84 116.67 113.49 1imu s ASP 69 Ca 0.00 -1.27 0.00 0.00 0.18 0.00 0.00 52.55 51.46 1imu s ASP 69 Cb 0.00 -0.95 0.00 0.00 1.07 0.00 0.00 42.92 43.04 1imu s ASP 69 CO 0.00 -0.32 0.89 0.80 1.18 0.00 0.00 175.17 177.72 1imu n MET 70 N 4.80 0.00 0.24 8.23 0.00 -1.26 0.14 117.12 129.27 1imu n MET 70 Ca -0.07 0.89 0.16 0.00 -0.00 0.00 0.00 57.70 58.68 1imu n MET 70 Cb 0.44 -1.37 0.67 0.00 0.00 0.00 0.00 33.22 32.95 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 0.06 1.12 -1.99 -1.97 -0.80 116.97 113.38 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 -0.75 0.00 -1.10 -0.22 -0.00 0.00 0.00 178.16 176.09 1imu h LYS 72 N 0.00 0.51 -0.29 4.88 3.64 -1.55 1.50 116.57 125.27 1imu h LYS 72 Ca 0.00 -0.63 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 1imu h LYS 72 Cb 0.42 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1imu h LYS 72 CO 0.00 1.25 0.11 0.00 -2.27 0.00 0.00 179.45 178.54 1imu h ALA 73 N 0.52 0.37 -0.59 5.00 0.00 0.20 1.38 119.26 126.14 1imu h ALA 73 Ca -0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1imu h ALA 73 Cb 1.76 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 1imu h ALA 73 CO 0.20 -0.02 0.17 0.82 0.00 0.00 0.00 179.25 180.41 1imu h ILE 74 N 0.31 1.23 -0.99 0.00 2.04 -1.12 0.25 117.51 119.24 1imu h ILE 74 Ca 0.10 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.22 1imu h ILE 74 Cb 0.19 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1imu h ILE 74 CO -0.01 0.31 0.63 -1.13 0.00 0.00 0.00 178.15 177.96 1imu h ASN 75 N 0.87 1.00 0.20 1.72 -0.73 0.39 0.20 115.58 119.22 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 0.28 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.68 1imu h ASN 75 CO -0.01 0.61 -0.09 -0.08 -0.37 0.00 0.00 177.43 177.49 1imu h GLU 76 N 1.12 -0.26 -0.40 6.67 4.81 0.34 -2.73 114.58 124.14 1imu h GLU 76 Ca 0.44 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.77 1imu h GLU 76 Cb 0.23 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.58 1imu h GLU 76 CO -0.19 0.14 -0.33 0.28 -0.73 0.00 0.00 179.01 178.18 1imu h VAL 77 N -0.81 0.22 -0.78 0.32 2.07 -0.13 0.65 116.25 117.79 1imu h VAL 77 Ca -0.03 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.67 1imu h VAL 77 Cb 0.52 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1imu h VAL 77 CO 0.04 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 178.08 1imu h GLU 78 N -0.26 0.28 -0.27 1.57 4.22 -0.70 0.43 114.58 119.85 1imu h GLU 78 Ca 0.17 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.55 1imu h GLU 78 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1imu h GLU 78 CO -0.54 0.19 0.00 1.49 -2.18 0.00 0.00 179.01 177.97 1imu h GLU 79 N 0.29 0.48 0.45 1.92 4.57 0.52 0.38 114.58 123.20 1imu h GLU 79 Ca 0.39 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1imu h GLU 79 Cb 1.07 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1imu h GLU 79 CO -0.10 0.63 -0.22 0.87 -1.18 0.00 0.00 179.01 179.01 1imu h LYS 80 N 0.26 -0.59 -0.60 1.92 1.79 0.16 0.32 116.57 119.84 1imu h LYS 80 Ca 0.08 0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.70 1imu h LYS 80 Cb 0.41 0.13 -0.09 0.00 -1.58 0.00 0.00 32.23 31.11 1imu h LYS 80 CO 0.01 -0.32 0.11 -0.07 -1.08 0.00 0.00 179.45 178.11 1imu h LEU 81 N -0.77 -0.03 -0.34 2.94 -0.00 -0.29 0.28 115.31 117.09 1imu h LEU 81 Ca -0.06 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1imu h LEU 81 Cb 0.54 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.36 1imu h LEU 81 CO 0.10 -0.01 0.14 -0.08 -0.00 0.00 0.00 178.44 178.59 1imu h GLU 82 N 0.24 0.51 -0.09 1.13 4.22 -0.09 0.16 114.58 120.65 1imu h GLU 82 Ca 0.32 -0.09 0.04 0.00 0.08 0.00 0.00 59.36 59.71 1imu h GLU 82 Cb 0.48 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 1imu h GLU 82 CO -0.42 0.50 -0.21 0.00 -2.18 0.00 0.00 179.01 176.70 1imu h ARG 83 N 0.40 -0.27 -0.50 1.92 3.08 0.12 0.30 114.38 119.43 1imu h ARG 83 Ca 0.11 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1imu h ARG 83 Cb 0.18 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1imu h ARG 83 CO -0.01 -0.18 0.30 1.96 -1.07 0.00 0.00 179.97 180.97 1imu h GLN 84 N -0.28 0.59 -0.02 0.04 4.20 -0.34 0.10 115.11 119.40 1imu h GLN 84 Ca 0.09 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1imu h GLN 84 Cb 0.41 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1imu h GLN 84 CO -0.26 0.39 -0.52 -0.07 -0.67 0.00 0.00 178.83 177.70 1imu h LEU 85 N 0.61 -1.62 -1.61 1.46 3.38 0.43 0.74 115.31 118.69 1imu h LEU 85 Ca 0.20 0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.53 1imu h LEU 85 Cb 0.01 0.62 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1imu h LEU 85 CO -0.08 -0.50 0.54 -1.13 0.09 0.00 0.00 178.44 177.36 1imu h ASN 86 N -0.64 0.34 -0.31 -0.43 -1.24 -0.09 0.38 115.58 113.59 1imu h ASN 86 Ca 0.01 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 1imu h ASN 86 Cb 0.70 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 1imu h ASN 86 CO -0.36 0.16 0.10 0.50 -1.29 0.00 0.00 177.43 176.54 1imu h LYS 87 N 0.35 0.47 0.76 6.67 3.64 0.23 0.38 116.57 129.07 1imu h LYS 87 Ca 0.41 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1imu h LYS 87 Cb 1.05 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1imu h LYS 87 CO -0.13 0.51 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.09 1imu h LEU 88 N 0.34 -0.99 -2.52 5.20 3.38 0.43 0.86 115.31 122.02 1imu h LEU 88 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1imu h LEU 88 Cb 0.23 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1imu h LEU 88 CO -0.00 -0.66 -0.02 1.56 0.09 0.00 0.00 178.44 179.40 1imu h GLN 89 N -1.07 0.00 0.00 1.13 7.50 -0.99 -3.12 115.11 118.55 1imu h GLN 89 Ca -0.10 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.05 1imu h GLN 89 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.37 1imu h GLN 89 CO 0.14 0.02 -0.00 0.45 -1.50 0.00 0.00 178.83 177.94 1imu h HIS 90 N 0.00 0.00 -6.73 2.96 3.86 0.55 -3.49 115.15 112.31 1imu h HIS 90 Ca -0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 1imu h HIS 90 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1imu h HIS 90 CO 0.00 0.00 -1.03 0.36 0.86 0.00 0.00 177.93 178.12 1imu n LYS 91 N -3.32 -1.24 -0.58 2.45 2.85 0.29 -4.90 118.16 113.72 1imu n LYS 91 Ca -0.00 0.62 -0.30 0.00 -1.05 0.00 0.00 58.31 57.58 1imu n LYS 91 Cb 0.00 -2.51 0.21 0.00 -0.65 0.00 0.00 35.03 32.08 1imu n LYS 91 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1imu n SER 92 N -2.49 -1.35 -0.48 -5.58 7.64 -1.26 -5.03 113.62 105.06 1imu n SER 92 Ca -0.26 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1imu n SER 92 Cb 0.66 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1imu n SER 92 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1imu n GLU 93 N -4.07 0.00 0.00 1.43 2.13 -1.26 -5.16 120.64 113.71 1imu n GLU 93 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1imu n GLU 93 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 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 -0.34 -5.44 -1.13 4.31 2.88 -1.26 -4.99 113.62 107.65 1imu n SER 94 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 1imu n SER 94 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.77 -1.40 -1.56 -1.46 0.63 -1.26 -5.03 116.66 104.81 1imu n ARG 95 Ca 0.00 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 1imu n ARG 95 Cb 0.00 -1.71 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1imu n ARG 95 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1imu n ARG 96 N -2.95 -4.39 -3.65 -0.14 0.00 -1.26 -5.07 116.66 99.20 1imu n ARG 96 Ca 0.00 3.19 -0.08 0.00 -0.00 0.00 0.00 57.85 60.96 1imu n ARG 96 Cb 0.32 -3.52 -0.07 0.00 0.00 0.00 0.00 32.46 29.18 1imu n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1imu s ALA 97 N -2.13 -1.77 -0.42 5.13 0.00 -1.26 -5.12 121.76 116.20 1imu s ALA 97 Ca 0.00 2.29 -0.28 0.00 0.00 0.00 0.00 51.96 53.96 1imu s ALA 97 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1imu s ALA 97 CO 0.00 -0.36 1.66 0.16 0.00 0.00 0.00 175.76 177.22 1imu s ASP 98 N 1.52 5.94 -0.30 0.00 1.47 -1.26 -4.92 116.67 119.12 1imu s ASP 98 Ca -0.09 0.92 -0.07 0.00 1.18 0.00 0.00 52.55 54.49 1imu s ASP 98 Cb -0.05 -2.53 0.17 0.00 -0.34 0.00 0.00 42.92 40.17 1imu s ASP 98 CO -0.18 -1.73 0.75 -0.70 0.68 0.00 0.00 175.17 173.99 1imu s GLU 99 N 5.65 0.46 0.05 2.11 -6.30 -1.26 -5.17 118.70 114.24 1imu s GLU 99 Ca 0.70 0.93 -0.02 0.00 -2.50 0.00 0.00 54.97 54.08 1imu s GLU 99 Cb -0.17 0.53 0.01 0.00 0.00 0.00 0.00 34.13 34.50 1imu s GLU 99 CO 0.31 -0.39 0.11 -2.13 0.02 0.00 0.00 175.26 173.18 1imu n ARG 100 N 5.38 0.14 -1.44 4.30 0.63 -1.26 -4.95 116.66 119.47 1imu n ARG 100 Ca -0.05 -0.28 -0.15 0.00 -0.92 0.00 0.00 57.85 56.44 1imu n ARG 100 Cb 0.51 0.36 -0.06 0.00 0.45 0.00 0.00 32.46 33.72 1imu n ARG 100 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1imu n LEU 101 N 0.00 -0.90 0.00 6.15 4.77 -1.26 -4.76 117.00 121.00 1imu n LEU 101 Ca -0.01 0.38 0.02 0.00 -0.03 0.00 0.00 56.01 56.36 1imu n LEU 101 Cb 0.08 -2.63 -0.00 0.00 -2.33 0.00 0.00 43.42 38.53 1imu n LEU 101 CO 0.04 -1.00 -0.03 0.29 -1.33 0.00 0.00 177.39 175.36 1imu n LYS 102 N -1.74 -0.27 -0.33 3.23 5.02 -1.26 -4.82 118.16 117.99 1imu n LYS 102 Ca -0.15 0.18 -0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1imu n LYS 102 Cb 0.60 -0.33 0.04 0.00 -0.02 0.00 0.00 35.03 35.31 1imu n LYS 102 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1imu n ASP 103 N -3.77 -0.02 -4.89 4.39 -0.08 -1.26 -5.06 116.55 105.85 1imu n ASP 103 Ca 0.00 -1.07 -0.29 0.00 -1.51 0.00 0.00 54.79 51.92 1imu n ASP 103 Cb 0.06 -0.18 0.04 0.00 2.34 0.00 0.00 41.12 43.39 1imu n ASP 103 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1imu s SER 104 N -1.86 5.49 0.13 1.67 0.01 -1.26 -5.00 113.70 112.89 1imu s SER 104 Ca 0.13 0.99 0.05 0.00 1.31 0.00 0.00 55.95 58.43 1imu s SER 104 Cb -0.00 -1.85 -0.17 0.00 0.21 0.00 0.00 66.02 64.21 1imu s SER 104 CO 0.09 -1.25 1.29 -0.26 0.41 0.00 0.00 173.24 173.52 1imu h PHE 105 N -0.50 0.11 -3.55 2.43 -1.00 -1.98 -3.50 116.94 108.96 1imu h PHE 105 Ca -0.45 -0.07 0.24 0.00 2.81 0.00 0.00 57.97 60.49 1imu h PHE 105 Cb 1.25 -0.01 -0.13 0.00 3.61 0.00 0.00 35.95 40.68 1imu h PHE 105 CO 0.49 1.02 -1.18 0.39 -1.61 0.00 0.00 178.31 177.42 1imu n GLU 106 N -3.44 -3.55 0.00 1.51 1.02 -1.26 -5.34 120.64 109.57 1imu n GLU 106 Ca -0.02 2.86 0.00 0.00 -0.02 0.00 0.00 57.16 59.98 1imu n GLU 106 Cb 0.92 -3.90 0.00 0.00 -0.02 0.00 0.00 31.44 28.44 1imu n GLU 106 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58