#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daq n SER 2 N 0.00 -7.61 0.11 1.61 2.88 -1.26 -5.05 113.62 104.30 2daq n SER 2 Ca 0.00 1.55 0.00 0.00 -1.33 0.00 0.00 58.87 59.09 2daq n SER 2 Cb 0.00 -4.69 0.00 0.00 -0.75 0.00 0.00 64.21 58.77 2daq n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2daq n SER 3 N -3.46 -2.06 0.00 -3.46 7.64 -1.26 -5.14 113.62 105.88 2daq n SER 3 Ca -0.05 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2daq n SER 3 Cb 0.56 2.13 0.00 0.00 -1.01 0.00 0.00 64.21 65.89 2daq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daq n GLY 4 N -1.28 2.88 3.15 0.23 0.00 -1.26 -5.14 105.19 103.76 2daq n GLY 4 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 46.02 44.89 2daq n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2daq s SER 5 N 0.00 -1.26 0.21 1.61 0.15 -1.26 -5.17 113.70 107.98 2daq s SER 5 Ca 0.00 0.57 0.07 0.00 0.70 0.00 0.00 55.95 57.29 2daq s SER 5 Cb 0.00 1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 66.23 2daq s SER 5 CO 0.00 -0.23 -0.11 -0.44 1.20 0.00 0.00 173.24 173.65 2daq s SER 6 N 2.87 2.40 0.00 5.45 0.01 -1.26 -5.11 113.70 118.06 2daq s SER 6 Ca 0.15 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2daq s SER 6 Cb -0.12 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2daq s SER 6 CO -0.21 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.80 2daq n GLY 7 N -0.38 3.48 3.71 3.44 0.00 -1.26 -5.02 105.19 109.16 2daq n GLY 7 Ca -0.08 -1.69 -0.60 0.00 0.00 0.00 0.00 46.02 43.65 2daq n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2daq n LYS 8 N -0.93 0.85 -1.39 1.61 4.81 -1.26 -4.79 118.16 117.05 2daq n LYS 8 Ca 0.00 0.31 -0.40 0.00 -0.87 0.00 0.00 58.31 57.35 2daq n LYS 8 Cb 0.00 -1.94 0.02 0.00 0.02 0.00 0.00 35.03 33.13 2daq n LYS 8 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2daq n LEU 9 N 4.82 -1.02 -4.87 3.14 4.32 -1.26 -4.95 117.00 117.18 2daq n LEU 9 Ca 0.27 0.77 -0.30 0.00 -0.02 0.00 0.00 56.01 56.73 2daq n LEU 9 Cb 0.08 -1.04 -0.05 0.00 -1.62 0.00 0.00 43.42 40.80 2daq n LEU 9 CO 0.82 -3.60 -0.18 -1.00 -1.22 0.00 0.00 177.39 172.20 2daq s HIS 10 N -1.73 3.38 1.22 -1.77 3.76 -1.26 -5.10 115.29 113.79 2daq s HIS 10 Ca 0.63 0.15 -0.18 0.00 -0.15 0.00 0.00 55.06 55.52 2daq s HIS 10 Cb -0.52 -1.68 0.25 0.00 1.11 0.00 0.00 32.58 31.74 2daq s HIS 10 CO 0.59 0.55 0.59 0.66 -0.85 0.00 0.00 174.74 176.28 2daq n TYR 11 N 0.14 -2.17 -4.13 1.40 4.01 -1.26 -3.66 117.16 111.49 2daq n TYR 11 Ca -0.07 -0.23 -0.45 0.00 -0.16 0.00 0.00 57.90 56.98 2daq n TYR 11 Cb 0.52 -1.51 0.00 0.00 -0.31 0.00 0.00 39.34 38.04 2daq n TYR 11 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2daq n LYS 12 N -3.91 -0.29 -3.73 -0.72 3.00 0.50 -4.90 118.16 108.11 2daq n LYS 12 Ca 0.05 0.05 -0.23 0.00 -0.00 0.00 0.00 58.31 58.18 2daq n LYS 12 Cb 0.55 -2.57 -0.17 0.00 0.00 0.00 0.00 35.03 32.84 2daq n LYS 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2daq s GLN 13 N -7.50 0.42 0.14 1.64 0.74 -1.14 -4.90 119.66 109.06 2daq s GLN 13 Ca 0.43 0.07 -0.31 0.00 0.05 0.00 0.00 55.36 55.60 2daq s GLN 13 Cb -0.24 -1.13 -0.08 0.00 1.10 0.00 0.00 33.01 32.66 2daq s GLN 13 CO 0.98 -0.39 1.39 0.42 -0.55 0.00 0.00 175.29 177.13 2daq s ILE 14 N 2.01 3.20 0.14 -2.34 -1.09 -1.26 -0.53 121.20 121.33 2daq s ILE 14 Ca 0.04 0.89 -0.09 0.00 -2.23 0.00 0.00 60.65 59.27 2daq s ILE 14 Cb -0.13 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2daq s ILE 14 CO -0.06 0.09 0.25 0.68 -1.23 0.00 0.00 174.94 174.67 2daq s VAL 15 N 0.84 0.09 -0.42 2.92 -7.23 0.49 -2.84 120.40 114.27 2daq s VAL 15 Ca 0.63 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 59.28 2daq s VAL 15 Cb -0.37 -1.69 0.02 0.00 0.56 0.00 0.00 36.38 34.89 2daq s VAL 15 CO 0.33 -0.41 0.49 0.26 -0.31 0.00 0.00 175.10 175.47 2daq s TRP 16 N -3.94 3.14 0.14 2.82 0.52 -0.09 0.02 118.94 121.56 2daq s TRP 16 Ca 0.14 -0.23 -0.30 0.00 0.02 0.00 0.00 56.10 55.73 2daq s TRP 16 Cb 0.04 -3.01 -0.07 0.00 -1.15 0.00 0.00 33.47 29.28 2daq s TRP 16 CO -0.03 -0.72 1.10 0.54 0.02 0.00 0.00 176.95 177.85 2daq s VAL 17 N 2.34 4.01 -0.16 4.03 0.11 0.50 -3.10 120.40 128.12 2daq s VAL 17 Ca 0.15 1.66 -0.23 0.00 -2.93 0.00 0.00 61.98 60.63 2daq s VAL 17 Cb -0.16 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.61 2daq s VAL 17 CO 0.15 0.25 0.73 -0.75 -3.33 0.00 0.00 175.10 172.15 2daq s LYS 18 N -0.04 4.28 0.00 1.54 2.20 -1.26 -1.20 119.74 125.26 2daq s LYS 18 Ca 0.51 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 2daq s LYS 18 Cb -0.28 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 2daq s LYS 18 CO 0.33 -0.23 0.00 1.28 -0.36 0.00 0.00 175.35 176.37 2daq n LEU 19 N 4.92 0.00 0.00 5.43 4.77 -1.26 -4.96 117.00 125.89 2daq n LEU 19 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2daq n LEU 19 Cb 0.50 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2daq n LEU 19 CO 0.46 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2daq n GLY 20 N 2.69 0.06 0.00 -0.72 0.00 -1.26 -5.07 105.19 100.89 2daq n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2daq n GLY 20 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2daq n ASN 21 N -1.77 0.00 -3.17 1.61 2.85 -1.26 -5.00 115.26 108.53 2daq n ASN 21 Ca 0.00 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.24 2daq n ASN 21 Cb 0.00 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.07 2daq n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2daq n TYR 22 N -0.33 -2.19 0.00 1.20 4.19 -1.26 -4.68 117.16 114.09 2daq n TYR 22 Ca 0.00 0.64 0.00 0.00 3.31 0.00 0.00 57.90 61.85 2daq n TYR 22 Cb 0.00 -4.62 0.00 0.00 0.49 0.00 0.00 39.34 35.21 2daq n TYR 22 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2daq n ARG 23 N -4.27 0.00 -1.08 2.98 1.74 -1.26 -5.17 116.66 109.59 2daq n ARG 23 Ca -0.08 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.14 2daq n ARG 23 Cb 0.61 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.00 2daq n ARG 23 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2daq n TRP 24 N -2.30 -2.81 -3.70 -1.55 7.02 -1.26 -4.98 117.44 107.85 2daq n TRP 24 Ca 0.00 1.47 -0.11 0.00 -1.02 0.00 0.00 57.50 57.84 2daq n TRP 24 Cb 0.00 -2.56 -0.10 0.00 -2.42 0.00 0.00 31.31 26.23 2daq n TRP 24 CO 0.00 0.00 0.00 -0.46 -2.02 0.00 0.00 177.69 175.21 2daq s TRP 25 N -2.86 -0.59 0.43 -5.99 -0.11 -0.34 -4.90 118.94 104.58 2daq s TRP 25 Ca 0.00 1.29 -0.23 0.00 1.22 0.00 0.00 56.10 58.38 2daq s TRP 25 Cb 0.00 0.25 -0.09 0.00 -1.50 0.00 0.00 33.47 32.14 2daq s TRP 25 CO 0.00 -0.32 1.05 -1.25 -4.62 0.00 0.00 176.95 171.81 2daq s PRO 26 N 1.06 4.04 0.12 5.86 0.04 -1.26 0.19 135.00 145.05 2daq s PRO 26 Ca -0.07 1.47 -0.25 0.00 0.04 0.00 0.00 61.00 62.19 2daq s PRO 26 Cb -0.07 -2.40 0.07 0.00 0.04 0.00 0.00 34.50 32.15 2daq s PRO 26 CO -0.09 -0.24 0.78 0.00 0.04 0.00 0.00 177.00 177.49 2daq s ALA 27 N -1.76 -1.63 -0.03 8.56 0.00 0.10 -3.38 121.76 123.62 2daq s ALA 27 Ca 0.61 0.48 0.04 0.00 0.00 0.00 0.00 51.96 53.09 2daq s ALA 27 Cb -0.20 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 23.59 2daq s ALA 27 CO 0.25 -0.83 -0.15 -2.00 0.00 0.00 0.00 175.76 173.03 2daq s GLU 28 N -3.48 1.49 0.11 0.00 2.12 -1.06 0.19 118.70 118.06 2daq s GLU 28 Ca 0.06 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.54 2daq s GLU 28 Cb -0.02 -1.34 -0.08 0.00 0.26 0.00 0.00 34.13 32.95 2daq s GLU 28 CO -0.06 0.25 1.41 0.42 -0.54 0.00 0.00 175.26 176.74 2daq s ILE 29 N -0.04 3.28 0.51 -3.70 1.01 0.31 -1.48 121.20 121.08 2daq s ILE 29 Ca -0.01 0.90 0.03 0.00 0.00 0.00 0.00 60.65 61.57 2daq s ILE 29 Cb -0.09 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2daq s ILE 29 CO 0.01 0.06 0.16 0.00 0.00 0.00 0.00 174.94 175.17 2daq s ASN 31 N -4.02 6.34 0.46 0.00 0.01 -1.26 -4.22 114.94 112.24 2daq s ASN 31 Ca 0.19 0.16 0.26 0.00 -0.71 0.00 0.00 52.86 52.76 2daq s ASN 31 Cb 0.01 -1.91 0.77 0.00 0.41 0.00 0.00 41.25 40.53 2daq s ASN 31 CO 0.11 0.03 1.76 1.55 -1.51 0.00 0.00 177.10 179.05 2daq h PRO 32 N 2.01 0.00 0.00 -0.60 0.13 -1.92 -2.61 132.00 129.01 2daq h PRO 32 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2daq h PRO 32 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2daq h PRO 32 CO 0.68 0.11 -0.08 0.54 -0.23 0.00 0.00 178.00 179.01 2daq n ARG 33 N -3.17 0.02 -0.08 0.86 5.12 -1.26 -4.00 116.66 114.15 2daq n ARG 33 Ca 0.02 0.01 -0.07 0.00 -1.93 0.00 0.00 57.85 55.88 2daq n ARG 33 Cb 0.46 -1.52 -0.02 0.00 -1.16 0.00 0.00 32.46 30.22 2daq n ARG 33 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2daq n SER 34 N -1.55 1.86 -4.39 0.55 2.88 -1.01 -4.97 113.62 106.98 2daq n SER 34 Ca 0.07 0.52 -0.35 0.00 -1.33 0.00 0.00 58.87 57.78 2daq n SER 34 Cb 0.35 -0.83 0.09 0.00 -0.75 0.00 0.00 64.21 63.07 2daq n SER 34 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2daq n VAL 35 N -4.55 0.70 -1.57 2.46 0.24 -1.04 -4.94 118.33 109.63 2daq n VAL 35 Ca -0.11 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.34 61.58 2daq n VAL 35 Cb 0.37 -0.60 0.06 0.00 -1.47 0.00 0.00 33.84 32.20 2daq n VAL 35 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2daq s PRO 36 N -3.09 2.78 0.31 7.34 0.04 -1.26 -4.82 135.00 136.30 2daq s PRO 36 Ca 0.59 0.90 0.06 0.00 0.04 0.00 0.00 61.00 62.58 2daq s PRO 36 Cb -0.27 -1.98 0.72 0.00 0.04 0.00 0.00 34.50 33.01 2daq s PRO 36 CO 0.65 -1.19 1.79 -0.07 0.04 0.00 0.00 177.00 178.22 2daq h LEU 37 N -0.78 0.80 -0.99 -3.56 -0.00 -1.92 0.15 115.31 109.00 2daq h LEU 37 Ca -0.44 0.08 0.36 0.00 -0.00 0.00 0.00 57.88 57.88 2daq h LEU 37 Cb 1.22 -0.06 -0.17 0.00 -0.00 0.00 0.00 40.66 41.64 2daq h LEU 37 CO 0.57 0.32 0.41 -1.13 -0.00 0.00 0.00 178.44 178.61 2daq h ASN 38 N 0.80 0.15 0.00 -0.43 -0.73 -2.00 1.02 115.58 114.40 2daq h ASN 38 Ca 0.56 0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.97 2daq h ASN 38 Cb 0.82 0.30 0.00 0.00 0.27 0.00 0.00 38.32 39.71 2daq h ASN 38 CO -0.34 -0.35 -0.00 0.40 -0.37 0.00 0.00 177.43 176.77 2daq h ILE 39 N 0.07 1.53 -1.02 2.57 1.08 -1.09 -3.26 117.51 117.40 2daq h ILE 39 Ca 0.75 -2.11 0.29 0.00 -0.39 0.00 0.00 64.86 63.41 2daq h ILE 39 Cb 1.84 2.87 -0.04 0.00 -3.07 0.00 0.00 36.82 38.42 2daq h ILE 39 CO -0.77 0.51 0.82 1.56 -0.69 0.00 0.00 178.15 179.58 2daq h GLN 40 N -0.98 0.00 -0.11 2.37 4.20 0.22 1.21 115.11 122.02 2daq h GLN 40 Ca -0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2daq h GLN 40 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2daq h GLN 40 CO 0.00 0.00 -0.20 0.78 -0.67 0.00 0.00 178.83 178.74 2daq h GLY 41 N 0.00 0.20 0.00 3.46 0.00 0.83 -3.28 103.07 104.27 2daq h GLY 41 Ca 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2daq h GLY 41 CO -0.01 0.12 0.00 1.04 0.00 0.00 0.00 176.54 177.70 2daq n LEU 42 N -4.23 0.00 -1.20 3.11 4.77 0.42 -5.00 117.00 114.87 2daq n LEU 42 Ca -0.01 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2daq n LEU 42 Cb 0.31 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2daq n LEU 42 CO 0.38 -0.05 -0.23 0.29 -1.33 0.00 0.00 177.39 176.45 2daq n LYS 43 N -0.89 -2.70 0.00 3.23 5.02 -1.24 -5.08 118.16 116.51 2daq n LYS 43 Ca 0.00 2.12 0.00 0.00 -2.02 0.00 0.00 58.31 58.41 2daq n LYS 43 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 2daq n LYS 43 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2daq n HIS 44 N 0.76 0.00 -3.82 2.13 -0.00 -1.26 -5.10 115.22 107.93 2daq n HIS 44 Ca 0.00 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.10 2daq n HIS 44 Cb 0.00 0.04 -0.03 0.00 -0.12 0.00 0.00 29.99 29.89 2daq n HIS 44 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2daq s ASP 45 N -0.77 -0.27 0.04 0.26 2.15 -1.26 -5.08 116.67 111.74 2daq s ASP 45 Ca 0.00 -0.57 -0.15 0.00 0.43 0.00 0.00 52.55 52.26 2daq s ASP 45 Cb 0.00 0.68 -0.07 0.00 -0.30 0.00 0.00 42.92 43.23 2daq s ASP 45 CO 0.00 -1.25 1.23 0.25 -0.17 0.00 0.00 175.17 175.23 2daq h LEU 46 N 2.06 -0.61 0.00 -1.34 5.85 -2.02 -3.28 115.31 115.96 2daq h LEU 46 Ca -0.23 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2daq h LEU 46 Cb 1.26 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.50 2daq h LEU 46 CO 0.28 -0.26 0.00 0.61 -0.34 0.00 0.00 178.44 178.73 2daq n GLY 47 N -1.22 -3.07 2.73 3.75 0.00 -1.26 -4.52 105.19 101.60 2daq n GLY 47 Ca -0.04 0.66 -0.37 0.00 0.00 0.00 0.00 46.02 46.26 2daq n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2daq n ASP 48 N -0.85 -1.57 -4.26 1.61 9.92 -1.24 -4.73 116.55 115.43 2daq n ASP 48 Ca 0.00 0.81 -0.14 0.00 -0.53 0.00 0.00 54.79 54.93 2daq n ASP 48 Cb 0.00 -0.75 -0.10 0.00 -0.64 0.00 0.00 41.12 39.63 2daq n ASP 48 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2daq s PHE 49 N -1.05 1.29 -0.10 1.24 -0.12 -1.14 -4.65 117.98 113.45 2daq s PHE 49 Ca 0.50 -0.97 -0.30 0.00 -0.05 0.00 0.00 56.93 56.12 2daq s PHE 49 Cb -0.66 -0.73 -0.03 0.00 -0.63 0.00 0.00 43.02 40.98 2daq s PHE 49 CO 0.48 -0.14 1.25 -1.25 -0.05 0.00 0.00 175.22 175.50 2daq s PRO 50 N -3.88 4.29 0.11 1.99 0.04 -1.26 -3.60 135.00 132.70 2daq s PRO 50 Ca 0.24 1.69 0.08 0.00 0.04 0.00 0.00 61.00 63.05 2daq s PRO 50 Cb 0.06 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 2daq s PRO 50 CO 0.04 -0.57 -0.19 0.14 0.04 0.00 0.00 177.00 176.46 2daq s VAL 51 N 2.79 1.66 -0.21 -0.36 -7.23 -0.99 -0.04 120.40 116.02 2daq s VAL 51 Ca 0.56 -1.61 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 2daq s VAL 51 Cb -0.24 -1.57 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2daq s VAL 51 CO 0.19 -0.14 0.03 0.12 -0.31 0.00 0.00 175.10 174.99 2daq s PHE 52 N -1.40 3.08 -0.22 2.82 5.36 -0.55 -2.53 117.98 124.54 2daq s PHE 52 Ca 0.08 -0.38 -0.21 0.00 -0.96 0.00 0.00 56.93 55.45 2daq s PHE 52 Cb -0.09 -2.13 -0.02 0.00 -0.34 0.00 0.00 43.02 40.44 2daq s PHE 52 CO 0.04 -0.23 0.66 -0.06 -1.46 0.00 0.00 175.22 174.17 2daq s PHE 53 N 1.13 3.35 0.94 10.12 0.40 -0.39 -2.58 117.98 130.95 2daq s PHE 53 Ca 0.03 0.93 -0.12 0.00 -0.60 0.00 0.00 56.93 57.17 2daq s PHE 53 Cb -0.14 -2.84 0.15 0.00 0.51 0.00 0.00 43.02 40.70 2daq s PHE 53 CO 0.02 -0.24 1.10 -0.06 0.70 0.00 0.00 175.22 176.74 2daq s PHE 54 N 2.16 2.26 0.00 0.36 0.08 -1.22 0.69 117.98 122.31 2daq s PHE 54 Ca 0.29 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.43 2daq s PHE 54 Cb -0.16 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 2daq s PHE 54 CO 0.10 -2.60 0.00 0.41 -0.10 0.00 0.00 175.22 173.03 2daq n GLY 55 N -1.25 0.92 0.09 4.36 0.00 -1.26 -3.92 105.19 104.13 2daq n GLY 55 Ca 0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 2daq n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2daq h SER 56 N 0.00 0.13 -3.14 1.61 4.64 -1.89 -3.47 113.55 111.43 2daq h SER 56 Ca 0.00 -0.91 -0.00 0.00 -0.47 0.00 0.00 61.79 60.41 2daq h SER 56 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2daq h SER 56 CO 0.00 1.21 -0.01 1.41 -0.87 0.00 0.00 176.83 178.57 2daq n HIS 57 N -4.42 -0.17 -3.84 4.77 -0.00 0.22 -5.07 115.22 106.70 2daq n HIS 57 Ca -0.15 0.06 -0.12 0.00 -0.00 0.00 0.00 57.72 57.51 2daq n HIS 57 Cb 0.62 -1.90 -0.13 0.00 -0.00 0.00 0.00 29.99 28.58 2daq n HIS 57 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2daq s ASP 58 N -2.31 -0.11 0.08 0.41 1.11 -1.16 -4.93 116.67 109.77 2daq s ASP 58 Ca 0.01 0.20 -0.06 0.00 0.18 0.00 0.00 52.55 52.88 2daq s ASP 58 Cb -0.00 0.24 -0.05 0.00 1.07 0.00 0.00 42.92 44.17 2daq s ASP 58 CO 0.04 -0.07 0.33 -0.31 1.18 0.00 0.00 175.17 176.35 2daq s TYR 59 N -0.05 3.53 0.19 4.23 2.02 -1.26 -1.26 117.35 124.75 2daq s TYR 59 Ca -0.01 0.57 -0.15 0.00 -0.37 0.00 0.00 57.07 57.11 2daq s TYR 59 Cb -0.01 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2daq s TYR 59 CO 0.00 0.52 0.46 0.71 -1.57 0.00 0.00 175.55 175.67 2daq s TYR 60 N -1.50 0.03 -0.16 2.71 2.02 -1.05 -4.98 117.35 114.42 2daq s TYR 60 Ca 0.35 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.66 2daq s TYR 60 Cb -0.13 0.28 -0.01 0.00 -0.40 0.00 0.00 41.96 41.70 2daq s TYR 60 CO 0.21 -0.88 -0.10 -1.58 -1.57 0.00 0.00 175.55 171.64 2daq s TRP 61 N -3.90 2.88 -0.11 2.71 0.52 -1.26 -2.35 118.94 117.43 2daq s TRP 61 Ca 0.12 -0.75 -0.06 0.00 0.02 0.00 0.00 56.10 55.43 2daq s TRP 61 Cb 0.00 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.43 2daq s TRP 61 CO -0.02 -0.32 0.25 0.14 0.02 0.00 0.00 176.95 177.02 2daq s VAL 62 N 0.73 -0.03 0.74 4.03 -7.23 -1.24 -4.94 120.40 112.47 2daq s VAL 62 Ca -0.04 0.12 -0.10 0.00 -1.81 0.00 0.00 61.98 60.15 2daq s VAL 62 Cb -0.15 -0.38 0.15 0.00 0.56 0.00 0.00 36.38 36.56 2daq s VAL 62 CO 0.02 0.05 0.35 1.57 -0.31 0.00 0.00 175.10 176.78 2daq n HIS 63 N 4.05 -2.25 -4.10 2.82 -0.00 -1.26 -2.89 115.22 111.59 2daq n HIS 63 Ca -0.23 -0.12 -0.28 0.00 0.46 0.00 0.00 57.72 57.54 2daq n HIS 63 Cb 0.54 -0.92 -0.06 0.00 -0.12 0.00 0.00 29.99 29.42 2daq n HIS 63 CO 0.00 0.00 0.00 1.14 0.46 0.00 0.00 176.34 177.94 2daq s GLN 64 N -3.14 2.77 0.00 1.57 -2.07 -1.26 -4.53 119.66 113.00 2daq s GLN 64 Ca 0.27 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 2daq s GLN 64 Cb -0.05 -2.61 0.00 0.00 -1.09 0.00 0.00 33.01 29.26 2daq s GLN 64 CO 0.23 0.51 0.00 0.41 -1.32 0.00 0.00 175.29 175.12 2daq n GLY 65 N 0.07 0.60 0.00 2.60 0.00 -1.26 -4.91 105.19 102.29 2daq n GLY 65 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 2daq n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daq n ARG 66 N -1.43 1.56 -3.93 1.61 1.74 -1.26 -4.97 116.66 109.98 2daq n ARG 66 Ca 0.00 -0.06 -0.33 0.00 -0.77 0.00 0.00 57.85 56.69 2daq n ARG 66 Cb 0.00 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 2daq n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2daq s VAL 67 N -2.54 5.32 0.13 1.55 -7.23 -1.26 -4.32 120.40 112.05 2daq s VAL 67 Ca -0.00 -0.24 0.07 0.00 -1.81 0.00 0.00 61.98 60.00 2daq s VAL 67 Cb 0.09 -3.50 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 2daq s VAL 67 CO 0.51 0.30 -0.08 -0.36 -0.31 0.00 0.00 175.10 175.16 2daq s PHE 68 N -1.34 2.75 -0.04 2.82 0.08 -1.18 -4.89 117.98 116.18 2daq s PHE 68 Ca 0.28 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 2daq s PHE 68 Cb -0.13 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.89 2daq s PHE 68 CO 0.19 0.46 1.21 -1.25 -0.10 0.00 0.00 175.22 175.74 2daq s PRO 69 N -2.46 4.36 -0.29 0.24 0.04 -1.26 -0.91 135.00 134.71 2daq s PRO 69 Ca 0.23 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.69 2daq s PRO 69 Cb -0.10 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2daq s PRO 69 CO 0.15 -0.44 1.17 -0.47 0.04 0.00 0.00 177.00 177.45 2daq s TYR 70 N 2.11 2.97 0.33 0.56 6.14 -1.13 -4.89 117.35 123.44 2daq s TYR 70 Ca 0.57 1.08 -0.08 0.00 0.64 0.00 0.00 57.07 59.28 2daq s TYR 70 Cb -0.26 -3.73 -0.06 0.00 0.42 0.00 0.00 41.96 38.33 2daq s TYR 70 CO 0.23 -1.16 0.64 0.08 0.64 0.00 0.00 175.55 175.97 2daq s VAL 71 N 3.86 4.92 -0.52 3.14 1.01 -1.26 -4.98 120.40 126.56 2daq s VAL 71 Ca 0.50 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.84 2daq s VAL 71 Cb -0.15 -3.72 0.41 0.00 0.00 0.00 0.00 36.38 32.93 2daq s VAL 71 CO 0.17 -0.37 1.41 1.21 0.00 0.00 0.00 175.10 177.53 2daq n GLU 72 N -0.97 3.25 0.15 2.72 2.13 -1.26 -4.68 120.64 121.98 2daq n GLU 72 Ca 0.00 -4.12 0.00 0.00 0.66 0.00 0.00 57.16 53.70 2daq n GLU 72 Cb 0.54 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.98 2daq n GLU 72 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2daq n GLY 73 N -0.58 -0.90 3.50 8.31 0.00 -1.26 -5.05 105.19 109.21 2daq n GLY 73 Ca 0.45 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 46.23 2daq n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2daq n ASP 74 N -3.29 0.16 -4.50 1.61 -0.08 -1.26 -4.85 116.55 104.33 2daq n ASP 74 Ca 0.00 0.10 -0.20 0.00 -1.51 0.00 0.00 54.79 53.18 2daq n ASP 74 Cb 0.00 -0.89 0.10 0.00 2.34 0.00 0.00 41.12 42.66 2daq n ASP 74 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2daq n LYS 75 N 8.24 0.17 -2.43 -0.67 5.02 -1.26 -4.81 118.16 122.42 2daq n LYS 75 Ca 0.66 -2.66 -0.02 0.00 -2.02 0.00 0.00 58.31 54.27 2daq n LYS 75 Cb 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.57 2daq n LYS 75 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2daq n SER 76 N -2.73 -5.67 0.00 4.39 2.88 -1.26 -5.01 113.62 106.22 2daq n SER 76 Ca 0.15 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2daq n SER 76 Cb 0.55 -3.72 0.00 0.00 -0.75 0.00 0.00 64.21 60.29 2daq n SER 76 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2daq n PHE 77 N -1.07 0.00 0.13 0.66 -1.74 -1.26 -5.06 117.46 109.12 2daq n PHE 77 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.92 2daq n PHE 77 Cb 0.42 0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.71 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2daq n ALA 78 N -2.36 1.36 -4.27 1.98 0.00 -1.26 -5.04 120.51 110.92 2daq n ALA 78 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2daq n ALA 78 Cb 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 2daq n ALA 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2daq n GLU 79 N -3.13 -0.87 0.00 0.00 1.02 -1.26 -4.54 120.64 111.86 2daq n GLU 79 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2daq n GLU 79 Cb 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.00 2daq n GLU 79 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2daq n GLY 80 N -2.52 0.41 2.07 0.62 0.00 -1.26 -4.84 105.19 99.66 2daq n GLY 80 Ca -0.31 -0.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 2daq n GLY 80 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2daq n GLN 81 N -0.03 0.07 -2.08 1.61 7.27 -1.26 -4.94 117.38 118.01 2daq n GLN 81 Ca 0.00 -0.30 -0.03 0.00 0.07 0.00 0.00 57.00 56.74 2daq n GLN 81 Cb 0.00 0.01 -0.01 0.00 2.41 0.00 0.00 30.24 32.66 2daq n GLN 81 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2daq n THR 82 N -0.28 -0.12 -2.68 1.69 5.66 -1.26 -4.60 114.28 112.69 2daq n THR 82 Ca -0.15 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.81 2daq n THR 82 Cb 0.57 -0.45 0.09 0.00 -1.55 0.00 0.00 70.33 68.99 2daq n THR 82 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2daq n SER 83 N -0.95 -1.52 -3.29 1.09 7.64 -1.26 -5.10 113.62 110.23 2daq n SER 83 Ca -0.04 -2.30 -0.07 0.00 1.01 0.00 0.00 58.87 57.47 2daq n SER 83 Cb 0.41 1.30 -0.05 0.00 -1.01 0.00 0.00 64.21 64.86 2daq n SER 83 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2daq s ILE 84 N 0.11 -0.68 -0.33 0.44 1.01 -1.26 -5.10 121.20 115.38 2daq s ILE 84 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 2daq s ILE 84 Cb 0.27 -0.98 0.11 0.00 0.01 0.00 0.00 42.46 41.87 2daq s ILE 84 CO -0.13 -0.23 0.15 0.21 0.00 0.00 0.00 174.94 174.94 2daq s ASN 85 N 2.59 3.63 0.10 3.58 3.84 -1.26 -4.91 114.94 122.50 2daq s ASN 85 Ca 0.10 -1.76 -0.02 0.00 0.21 0.00 0.00 52.86 51.40 2daq s ASN 85 Cb -0.12 -0.63 0.01 0.00 -0.55 0.00 0.00 41.25 39.95 2daq s ASN 85 CO -0.28 -0.38 0.17 0.29 -2.79 0.00 0.00 177.10 174.10 2daq n LYS 86 N 4.66 0.24 -0.15 0.43 4.01 -1.26 -5.05 118.16 121.04 2daq n LYS 86 Ca 0.01 -0.68 -0.10 0.00 -0.51 0.00 0.00 58.31 57.03 2daq n LYS 86 Cb 0.40 0.73 0.03 0.00 -0.51 0.00 0.00 35.03 35.68 2daq n LYS 86 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 2daq h THR 87 N 1.27 1.27 -0.78 -0.18 2.02 -1.99 -3.21 112.91 111.31 2daq h THR 87 Ca -0.08 -1.33 0.09 0.00 0.77 0.00 0.00 66.41 65.86 2daq h THR 87 Cb 0.32 1.08 -0.11 0.00 -1.74 0.00 0.00 68.15 67.70 2daq h THR 87 CO 0.10 0.46 -0.52 0.15 0.37 0.00 0.00 175.52 176.08 2daq h PHE 88 N 0.84 -1.61 -0.27 3.16 3.57 -1.96 0.73 116.94 121.40 2daq h PHE 88 Ca 0.12 0.11 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2daq h PHE 88 Cb 0.74 0.81 -0.08 0.00 2.79 0.00 0.00 35.95 40.21 2daq h PHE 88 CO 0.05 -0.41 -0.37 -0.22 -2.23 0.00 0.00 178.31 175.12 2daq h LYS 89 N -0.14 -0.35 -1.71 1.11 3.11 -1.93 0.68 116.57 117.34 2daq h LYS 89 Ca 0.17 0.02 0.51 0.00 -2.81 0.00 0.00 60.65 58.55 2daq h LYS 89 Cb 0.51 0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 31.73 2daq h LYS 89 CO -0.82 -0.23 1.20 0.87 -2.81 0.00 0.00 179.45 177.66 2daq h LYS 90 N -0.37 0.02 0.00 1.90 1.57 -0.92 0.55 116.57 119.32 2daq h LYS 90 Ca 0.12 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2daq h LYS 90 Cb 0.57 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 2daq h LYS 90 CO -0.47 0.01 -0.10 0.00 -0.57 0.00 0.00 179.45 178.32 2daq h ALA 91 N 1.22 0.01 -0.90 3.86 0.00 0.10 -2.37 119.26 121.19 2daq h ALA 91 Ca 0.87 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.74 2daq h ALA 91 Cb 3.30 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 21.01 2daq h ALA 91 CO -0.13 0.08 -0.15 -0.07 0.00 0.00 0.00 179.25 178.97 2daq h LEU 92 N -1.00 -0.71 0.48 0.00 3.38 0.25 1.30 115.31 119.00 2daq h LEU 92 Ca -0.02 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2daq h LEU 92 Cb 0.37 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2daq h LEU 92 CO -0.01 -0.29 -0.23 -0.33 0.09 0.00 0.00 178.44 177.67 2daq h GLU 93 N 0.01 -0.62 -0.59 1.13 5.08 -0.63 -1.76 114.58 117.21 2daq h GLU 93 Ca 0.46 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.96 2daq h GLU 93 Cb 0.76 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.04 2daq h GLU 93 CO -0.89 -0.41 -0.39 0.93 -1.00 0.00 0.00 179.01 177.25 2daq h GLU 94 N -0.76 -0.19 -0.78 2.33 5.08 -0.66 0.45 114.58 120.04 2daq h GLU 94 Ca -0.07 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.49 2daq h GLU 94 Cb 0.49 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 2daq h GLU 94 CO 0.11 -0.13 0.14 0.00 -1.00 0.00 0.00 179.01 178.13 2daq h ALA 95 N 0.80 0.99 0.85 3.43 0.00 0.16 -0.38 119.26 125.10 2daq h ALA 95 Ca 0.21 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 2daq h ALA 95 Cb 0.56 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2daq h ALA 95 CO -0.69 -0.40 -0.50 0.00 0.00 0.00 0.00 179.25 177.67 2daq h ALA 96 N 1.69 -1.30 -0.34 0.00 0.00 0.71 -2.20 119.26 117.81 2daq h ALA 96 Ca 0.45 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2daq h ALA 96 Cb 0.82 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2daq h ALA 96 CO -0.60 -1.24 -0.20 1.17 0.00 0.00 0.00 179.25 178.38 2daq n LYS 97 N -5.64 -0.15 -0.29 0.00 4.81 0.15 -0.83 118.16 116.22 2daq n LYS 97 Ca -0.15 1.16 -0.07 0.00 -0.87 0.00 0.00 58.31 58.37 2daq n LYS 97 Cb 0.51 -1.72 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 2daq n LYS 97 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2daq n ARG 98 N -3.76 -0.30 -0.36 1.64 5.12 -0.39 0.18 116.66 118.79 2daq n ARG 98 Ca 0.01 1.26 0.26 0.00 -1.93 0.00 0.00 57.85 57.44 2daq n ARG 98 Cb 0.09 -1.86 0.51 0.00 -1.16 0.00 0.00 32.46 30.05 2daq n ARG 98 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2daq h PHE 99 N 0.00 0.78 0.01 -1.55 3.57 -0.38 1.43 116.94 120.80 2daq h PHE 99 Ca 0.11 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.45 2daq h PHE 99 Cb 0.28 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 2daq h PHE 99 CO -0.92 -0.10 -0.87 1.96 -2.23 0.00 0.00 178.31 176.16 2daq h GLN 100 N 0.32 0.12 0.17 1.11 1.08 0.40 -3.13 115.11 115.17 2daq h GLN 100 Ca 0.71 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.77 2daq h GLN 100 Cb 1.78 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.26 2daq h GLN 100 CO -0.47 0.91 -0.08 0.93 -0.95 0.00 0.00 178.83 179.17 2daq h GLU 101 N 0.06 -0.22 -0.69 1.46 5.08 0.82 -0.60 114.58 120.49 2daq h GLU 101 Ca -0.03 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2daq h GLU 101 Cb 1.50 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.71 2daq h GLU 101 CO 0.12 0.19 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.70 2daq h LEU 102 N -0.87 -1.97 -1.60 1.33 4.07 0.39 1.01 115.31 117.66 2daq h LEU 102 Ca -0.02 0.28 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 2daq h LEU 102 Cb 0.52 0.84 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 2daq h LEU 102 CO 0.04 -0.31 0.05 0.07 -1.08 0.00 0.00 178.44 177.22 2daq h LYS 103 N -0.19 0.31 -3.98 1.13 2.10 -1.65 -3.24 116.57 111.06 2daq h LYS 103 Ca 0.11 -0.04 -0.78 0.00 -2.00 0.00 0.00 60.65 57.95 2daq h LYS 103 Cb 0.49 -0.06 -0.24 0.00 -0.90 0.00 0.00 32.23 31.52 2daq h LYS 103 CO -0.75 0.29 0.83 0.00 -2.00 0.00 0.00 179.45 177.81 2daq n ALA 104 N -2.50 4.16 -3.11 0.07 0.00 0.35 -4.65 120.51 114.82 2daq n ALA 104 Ca 0.00 -4.51 0.03 0.00 0.00 0.00 0.00 53.44 48.96 2daq n ALA 104 Cb 0.15 -2.68 -0.00 0.00 0.00 0.00 0.00 19.45 16.91 2daq n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2daq s SER 105 N 1.76 -1.22 0.00 0.00 0.15 -1.12 -4.62 113.70 108.65 2daq s SER 105 Ca 0.35 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.74 2daq s SER 105 Cb -0.07 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.88 2daq s SER 105 CO -0.04 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2daq n GLY 106 N 4.70 1.69 3.57 9.45 0.00 -1.26 -4.81 105.19 118.53 2daq n GLY 106 Ca 0.08 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 2daq n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daq s PRO 107 N -3.26 3.16 -0.36 1.61 0.04 -1.26 -4.68 135.00 130.25 2daq s PRO 107 Ca 0.00 -1.10 -0.04 0.00 0.04 0.00 0.00 61.00 59.91 2daq s PRO 107 Cb 0.00 -5.29 0.19 0.00 0.04 0.00 0.00 34.50 29.44 2daq s PRO 107 CO 0.00 -2.91 0.94 -1.12 0.04 0.00 0.00 177.00 173.95 2daq s SER 108 N 5.97 -0.67 0.08 6.66 0.01 -1.26 -5.13 113.70 119.36 2daq s SER 108 Ca 0.59 -0.47 -0.31 0.00 1.31 0.00 0.00 55.95 57.08 2daq s SER 108 Cb -0.01 0.86 -0.10 0.00 0.21 0.00 0.00 66.02 66.98 2daq s SER 108 CO 0.01 -0.06 1.91 -1.54 0.41 0.00 0.00 173.24 173.98 2daq n SER 109 N 3.55 4.12 0.00 2.44 3.41 -1.26 -4.95 113.62 120.93 2daq n SER 109 Ca 0.09 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2daq n SER 109 Cb 0.62 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2daq n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49