#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 -0.26 -4.40 1.61 2.88 -1.26 -5.13 113.62 107.06 2daq n SER 2 Ca 0.00 0.50 -0.22 0.00 -1.33 0.00 0.00 58.87 57.82 2daq n SER 2 Cb 0.00 0.48 -0.10 0.00 -0.75 0.00 0.00 64.21 63.84 2daq n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2daq s SER 3 N -4.94 3.08 -0.29 -3.46 0.15 -1.26 -5.15 113.70 101.84 2daq s SER 3 Ca 0.00 -0.98 -0.24 0.00 0.70 0.00 0.00 55.95 55.43 2daq s SER 3 Cb 0.00 -0.22 0.15 0.00 -1.71 0.00 0.00 66.02 64.24 2daq s SER 3 CO 0.00 -0.03 1.18 -0.83 1.20 0.00 0.00 173.24 174.75 2daq s GLY 4 N -3.22 0.06 -0.30 9.45 0.00 -1.26 -5.13 107.32 106.92 2daq s GLY 4 Ca 0.24 3.04 -0.03 0.00 0.00 0.00 0.00 44.72 47.97 2daq s GLY 4 CO 0.10 1.96 0.15 -0.45 0.00 0.00 0.00 173.10 174.86 2daq s SER 5 N 0.27 3.44 0.05 1.64 0.15 -1.26 -5.12 113.70 112.88 2daq s SER 5 Ca 0.03 -1.50 -0.27 0.00 0.70 0.00 0.00 55.95 54.92 2daq s SER 5 Cb -0.05 -0.38 0.07 0.00 -1.71 0.00 0.00 66.02 63.95 2daq s SER 5 CO -0.10 -0.41 0.65 -0.94 1.20 0.00 0.00 173.24 173.63 2daq s SER 6 N 1.86 -0.61 -1.09 5.45 1.04 -1.26 -5.09 113.70 114.00 2daq s SER 6 Ca 0.11 0.34 -0.15 0.00 0.48 0.00 0.00 55.95 56.73 2daq s SER 6 Cb -0.18 0.56 0.17 0.00 0.10 0.00 0.00 66.02 66.68 2daq s SER 6 CO -0.29 -0.79 1.26 -0.83 0.98 0.00 0.00 173.24 173.58 2daq s GLY 7 N -1.99 2.37 -0.34 7.32 0.00 -1.26 -4.75 107.32 108.67 2daq s GLY 7 Ca -0.05 -3.23 0.07 0.00 0.00 0.00 0.00 44.72 41.51 2daq s GLY 7 CO -0.02 1.91 1.56 0.28 0.00 0.00 0.00 173.10 176.83 2daq n LYS 8 N 5.48 2.01 -0.85 2.90 5.02 -1.26 -5.06 118.16 126.40 2daq n LYS 8 Ca 0.30 -3.21 0.11 0.00 -2.02 0.00 0.00 58.31 53.49 2daq n LYS 8 Cb 0.45 -1.92 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 2daq n LYS 8 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2daq n LEU 9 N -1.11 -0.58 0.00 -0.35 4.77 -1.26 -5.01 117.00 113.46 2daq n LEU 9 Ca 0.40 1.34 0.00 0.00 -0.03 0.00 0.00 56.01 57.72 2daq n LEU 9 Cb 1.14 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 2daq n LEU 9 CO 0.30 -1.46 0.00 0.00 -1.33 0.00 0.00 177.39 174.90 2daq n HIS 10 N -3.46 0.00 -3.61 -1.77 1.44 -1.26 -5.17 115.22 101.39 2daq n HIS 10 Ca -0.04 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.56 2daq n HIS 10 Cb 0.40 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.49 2daq n HIS 10 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2daq s TYR 11 N 0.00 -0.32 -1.09 -1.40 2.02 -1.26 -4.85 117.35 110.45 2daq s TYR 11 Ca 0.00 0.02 -0.24 0.00 -0.37 0.00 0.00 57.07 56.48 2daq s TYR 11 Cb 0.00 0.51 0.03 0.00 -0.40 0.00 0.00 41.96 42.11 2daq s TYR 11 CO 0.00 -0.93 0.66 1.17 -1.57 0.00 0.00 175.55 174.88 2daq n LYS 12 N -0.37 -0.65 -3.74 -0.62 3.00 0.23 -4.92 118.16 111.09 2daq n LYS 12 Ca -0.12 0.29 -0.16 0.00 -0.00 0.00 0.00 58.31 58.31 2daq n LYS 12 Cb 0.63 -2.42 -0.17 0.00 0.00 0.00 0.00 35.03 33.07 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 -6.66 -0.05 -0.01 1.64 0.74 -1.09 -4.92 119.66 109.32 2daq s GLN 13 Ca 0.34 0.25 -0.30 0.00 0.05 0.00 0.00 55.36 55.70 2daq s GLN 13 Cb -0.19 -0.32 -0.04 0.00 1.10 0.00 0.00 33.01 33.56 2daq s GLN 13 CO 0.95 -0.22 1.11 0.42 -0.55 0.00 0.00 175.29 177.00 2daq s ILE 14 N 1.41 4.44 0.24 -2.34 -1.09 -1.26 0.25 121.20 122.85 2daq s ILE 14 Ca -0.05 1.75 -0.02 0.00 -2.23 0.00 0.00 60.65 60.11 2daq s ILE 14 Cb -0.13 -4.12 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 2daq s ILE 14 CO -0.03 0.08 0.25 0.68 -1.23 0.00 0.00 174.94 174.69 2daq s VAL 15 N 1.45 0.00 -0.39 2.92 -7.23 0.42 -2.82 120.40 114.75 2daq s VAL 15 Ca 0.55 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 2daq s VAL 15 Cb -0.24 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.27 2daq s VAL 15 CO 0.26 0.00 0.24 0.26 -0.31 0.00 0.00 175.10 175.54 2daq s TRP 16 N -3.92 3.25 0.11 2.82 0.52 0.24 -0.32 118.94 121.64 2daq s TRP 16 Ca 0.36 -0.97 -0.31 0.00 0.02 0.00 0.00 56.10 55.19 2daq s TRP 16 Cb 0.04 -2.57 -0.07 0.00 -1.15 0.00 0.00 33.47 29.72 2daq s TRP 16 CO 0.15 -0.67 1.32 0.08 0.02 0.00 0.00 176.95 177.84 2daq s VAL 17 N 1.56 3.54 -0.19 4.03 1.01 0.42 -2.20 120.40 128.57 2daq s VAL 17 Ca 0.03 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.94 2daq s VAL 17 Cb -0.20 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2daq s VAL 17 CO 0.07 0.09 0.48 -0.75 0.00 0.00 0.00 175.10 174.99 2daq s LYS 18 N 0.97 4.21 0.05 2.72 2.20 -1.25 -1.58 119.74 127.05 2daq s LYS 18 Ca 0.62 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 2daq s LYS 18 Cb -0.34 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 2daq s LYS 18 CO 0.31 -0.08 0.03 1.28 -0.36 0.00 0.00 175.35 176.53 2daq n LEU 19 N 4.54 0.00 -4.55 5.43 4.77 -1.26 -4.99 117.00 120.94 2daq n LEU 19 Ca -0.06 -0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 55.27 2daq n LEU 19 Cb 0.51 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2daq n LEU 19 CO 0.42 -0.21 -0.11 -0.83 -1.33 0.00 0.00 177.39 175.32 2daq s GLY 20 N -1.60 1.94 0.23 -0.72 0.00 -1.26 -4.97 107.32 100.94 2daq s GLY 20 Ca 0.02 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2daq s GLY 20 CO 0.01 0.78 0.00 0.70 0.00 0.00 0.00 173.10 174.59 2daq n ASN 21 N 5.14 -6.86 -0.62 1.64 4.13 -1.26 -4.96 115.26 112.47 2daq n ASN 21 Ca -0.12 1.05 0.05 0.00 1.68 0.00 0.00 54.58 57.24 2daq n ASN 21 Cb 0.50 -2.96 -0.01 0.00 -1.54 0.00 0.00 39.78 35.77 2daq n ASN 21 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2daq n TYR 22 N -3.34 -2.15 -0.91 3.10 4.01 -1.26 -4.76 117.16 111.85 2daq n TYR 22 Ca 0.01 0.45 -0.28 0.00 -0.16 0.00 0.00 57.90 57.91 2daq n TYR 22 Cb 0.45 -0.75 0.21 0.00 -0.31 0.00 0.00 39.34 38.94 2daq n TYR 22 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2daq s ARG 23 N -0.79 -0.28 0.74 -0.72 3.52 -1.26 -4.97 118.95 115.19 2daq s ARG 23 Ca 0.00 0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 56.10 2daq s ARG 23 Cb 0.00 -1.65 0.16 0.00 -1.56 0.00 0.00 34.95 31.90 2daq s ARG 23 CO 0.00 -3.23 1.01 0.91 -0.81 0.00 0.00 175.30 173.18 2daq n TRP 24 N -4.53 -3.59 -3.85 5.12 7.02 -1.26 -4.74 117.44 111.60 2daq n TRP 24 Ca 0.04 -1.19 -0.15 0.00 -1.02 0.00 0.00 57.50 55.17 2daq n TRP 24 Cb 0.56 -0.76 -0.16 0.00 -2.42 0.00 0.00 31.31 28.53 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 -3.09 0.14 0.45 -5.99 -0.11 -0.61 -4.99 118.94 104.74 2daq s TRP 25 Ca 0.60 0.06 -0.22 0.00 1.22 0.00 0.00 56.10 57.76 2daq s TRP 25 Cb -0.02 -0.27 -0.09 0.00 -1.50 0.00 0.00 33.47 31.59 2daq s TRP 25 CO 0.41 -0.09 1.05 -1.25 -4.62 0.00 0.00 176.95 172.45 2daq s PRO 26 N 0.87 3.96 0.20 5.86 0.04 -1.26 0.16 135.00 144.83 2daq s PRO 26 Ca -0.08 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.16 2daq s PRO 26 Cb -0.11 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.18 2daq s PRO 26 CO -0.02 -0.31 0.81 0.00 0.04 0.00 0.00 177.00 177.52 2daq s ALA 27 N -1.83 -1.47 -0.02 8.56 0.00 0.57 -3.25 121.76 124.32 2daq s ALA 27 Ca 0.63 0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2daq s ALA 27 Cb -0.19 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.68 2daq s ALA 27 CO 0.23 -0.98 -0.04 -2.00 0.00 0.00 0.00 175.76 172.97 2daq s GLU 28 N -3.60 0.47 0.16 0.00 -6.30 -0.99 0.16 118.70 108.60 2daq s GLU 28 Ca 0.10 -0.12 -0.31 0.00 -2.50 0.00 0.00 54.97 52.14 2daq s GLU 28 Cb -0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 34.13 33.51 2daq s GLU 28 CO 0.02 0.03 1.49 0.42 0.02 0.00 0.00 175.26 177.24 2daq s ILE 29 N 0.27 2.84 0.41 -3.70 1.01 0.14 -1.15 121.20 121.02 2daq s ILE 29 Ca -0.03 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.31 2daq s ILE 29 Cb -0.06 -3.39 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 2daq s ILE 29 CO -0.00 0.06 0.15 0.00 0.00 0.00 0.00 174.94 175.14 2daq s ASN 31 N -3.87 6.37 0.49 0.00 -0.87 -1.26 -4.19 114.94 111.61 2daq s ASN 31 Ca 0.40 0.49 0.28 0.00 -1.57 0.00 0.00 52.86 52.46 2daq s ASN 31 Cb 0.05 -2.05 0.84 0.00 -0.02 0.00 0.00 41.25 40.07 2daq s ASN 31 CO 0.22 -0.16 1.79 1.55 -2.57 0.00 0.00 177.10 177.93 2daq h PRO 32 N 1.52 0.00 0.00 -0.60 0.13 -1.91 -2.59 132.00 128.54 2daq h PRO 32 Ca -0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2daq h PRO 32 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2daq h PRO 32 CO 0.65 0.03 -0.48 0.00 -0.23 0.00 0.00 178.00 177.97 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.99 -3.36 114.38 112.36 2daq h ARG 33 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2daq h ARG 33 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2daq h ARG 33 CO 0.00 0.48 -0.03 1.03 0.56 0.00 0.00 179.97 182.02 2daq h SER 34 N 0.00 0.00 -2.22 7.04 0.87 -1.91 -3.47 113.55 113.86 2daq h SER 34 Ca -0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.99 2daq h SER 34 Cb 1.29 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.46 2daq h SER 34 CO 0.06 0.14 -1.45 1.33 -0.53 0.00 0.00 176.83 176.38 2daq n VAL 35 N -2.73 0.15 -1.67 2.23 0.24 -1.00 -4.90 118.33 110.66 2daq n VAL 35 Ca -0.00 -0.47 -0.31 0.00 -2.04 0.00 0.00 64.34 61.52 2daq n VAL 35 Cb 0.02 -0.11 0.04 0.00 -1.47 0.00 0.00 33.84 32.31 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 -1.94 3.03 0.24 7.34 0.04 -1.26 -4.83 135.00 137.63 2daq s PRO 36 Ca 0.48 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.47 2daq s PRO 36 Cb -0.28 -2.00 0.45 0.00 0.04 0.00 0.00 34.50 32.71 2daq s PRO 36 CO 0.75 -1.03 1.73 -0.07 0.04 0.00 0.00 177.00 178.42 2daq h LEU 37 N -0.49 0.29 -1.55 -3.56 -0.00 -1.91 0.31 115.31 108.39 2daq h LEU 37 Ca -0.44 0.11 0.49 0.00 -0.00 0.00 0.00 57.88 58.04 2daq h LEU 37 Cb 1.21 0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 41.83 2daq h LEU 37 CO 0.57 0.11 1.02 -1.13 -0.00 0.00 0.00 178.44 179.01 2daq h ASN 38 N 0.45 0.15 0.00 -0.43 -0.73 -2.00 0.58 115.58 113.60 2daq h ASN 38 Ca 0.41 0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.67 2daq h ASN 38 Cb 0.61 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.31 2daq h ASN 38 CO -0.39 -0.18 -0.22 0.40 -0.37 0.00 0.00 177.43 176.66 2daq h ILE 39 N 0.02 0.55 -0.93 2.57 1.08 -0.77 -3.35 117.51 116.68 2daq h ILE 39 Ca 0.89 -1.47 0.27 0.00 -0.39 0.00 0.00 64.86 64.16 2daq h ILE 39 Cb 3.03 1.10 -0.16 0.00 -3.07 0.00 0.00 36.82 37.72 2daq h ILE 39 CO -0.34 0.19 0.15 1.56 -0.69 0.00 0.00 178.15 179.02 2daq h GLN 40 N -1.00 0.08 -1.26 2.37 4.20 0.27 1.51 115.11 121.27 2daq h GLN 40 Ca -0.04 -0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.03 2daq h GLN 40 Cb 0.48 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 2daq h GLN 40 CO -0.02 0.05 0.90 0.78 -0.67 0.00 0.00 178.83 179.87 2daq h GLY 41 N 0.08 0.10 -5.42 3.46 0.00 -0.22 -3.40 103.07 97.68 2daq h GLY 41 Ca 0.60 -0.02 -0.59 0.00 0.00 0.00 0.00 47.33 47.32 2daq h GLY 41 CO -0.80 -0.02 1.03 1.04 0.00 0.00 0.00 176.54 177.80 2daq n LEU 42 N -4.19 3.50 -4.84 3.11 4.77 0.52 -4.94 117.00 114.92 2daq n LEU 42 Ca 0.28 1.00 -0.32 0.00 -0.03 0.00 0.00 56.01 56.93 2daq n LEU 42 Cb 1.31 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2daq n LEU 42 CO 0.40 -0.06 0.63 -0.54 -1.33 0.00 0.00 177.39 176.49 2daq s LYS 43 N 3.10 3.99 0.00 3.23 1.02 -1.26 -5.05 119.74 124.77 2daq s LYS 43 Ca 0.87 0.92 0.00 0.00 0.02 0.00 0.00 55.97 57.79 2daq s LYS 43 Cb -0.64 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2daq s LYS 43 CO 0.45 -0.17 0.00 -2.39 -0.92 0.00 0.00 175.35 172.32 2daq n HIS 44 N -1.29 0.00 0.02 3.18 1.44 -1.26 -4.99 115.22 112.32 2daq n HIS 44 Ca 0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 2daq n HIS 44 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 2daq n HIS 44 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2daq n ASP 45 N -1.52 0.18 -3.64 4.39 8.00 -1.26 -5.13 116.55 117.57 2daq n ASP 45 Ca 0.00 0.06 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 2daq n ASP 45 Cb 0.00 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 2daq n ASP 45 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2daq s LEU 46 N -5.48 -0.43 0.00 0.64 1.43 -1.26 -4.97 118.68 108.61 2daq s LEU 46 Ca 0.00 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2daq s LEU 46 Cb 0.00 1.85 0.00 0.00 0.03 0.00 0.00 46.19 48.07 2daq s LEU 46 CO 0.00 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2daq n GLY 47 N 2.20 1.35 3.59 -3.19 0.00 -1.26 -4.86 105.19 103.02 2daq n GLY 47 Ca -0.12 -0.01 -0.65 0.00 0.00 0.00 0.00 46.02 45.24 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 2.96 1.14 -4.50 1.61 8.00 -1.26 -4.74 116.55 119.77 2daq n ASP 48 Ca 0.00 1.12 -0.25 0.00 0.71 0.00 0.00 54.79 56.37 2daq n ASP 48 Cb 0.00 -0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 2daq n ASP 48 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2daq s PHE 49 N 3.06 2.31 0.05 1.24 -0.12 -1.00 -4.79 117.98 118.73 2daq s PHE 49 Ca 1.02 -0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 57.18 2daq s PHE 49 Cb -1.45 -1.15 -0.05 0.00 -0.63 0.00 0.00 43.02 39.74 2daq s PHE 49 CO 0.78 0.64 1.17 -1.25 -0.05 0.00 0.00 175.22 176.51 2daq s PRO 50 N -3.56 4.45 0.03 1.99 0.04 -1.26 -2.68 135.00 134.00 2daq s PRO 50 Ca 0.31 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.11 2daq s PRO 50 Cb -0.01 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2daq s PRO 50 CO 0.15 -0.24 -0.13 0.14 0.04 0.00 0.00 177.00 176.97 2daq s VAL 51 N 1.10 1.01 -0.24 -0.36 -7.23 -0.28 -0.09 120.40 114.32 2daq s VAL 51 Ca 0.58 -0.86 -0.09 0.00 -1.81 0.00 0.00 61.98 59.79 2daq s VAL 51 Cb -0.28 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2daq s VAL 51 CO 0.29 0.05 0.13 0.12 -0.31 0.00 0.00 175.10 175.38 2daq s PHE 52 N -0.72 3.24 -0.20 2.82 5.36 -0.30 -2.01 117.98 126.17 2daq s PHE 52 Ca 0.02 0.05 -0.22 0.00 -0.96 0.00 0.00 56.93 55.81 2daq s PHE 52 Cb -0.07 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.34 2daq s PHE 52 CO 0.01 -0.05 0.70 -0.06 -1.46 0.00 0.00 175.22 174.35 2daq s PHE 53 N 1.20 3.38 0.91 10.12 0.40 -0.19 -2.34 117.98 131.46 2daq s PHE 53 Ca 0.06 1.02 -0.12 0.00 -0.60 0.00 0.00 56.93 57.30 2daq s PHE 53 Cb -0.14 -2.88 0.13 0.00 0.51 0.00 0.00 43.02 40.65 2daq s PHE 53 CO 0.05 -0.22 1.10 -0.06 0.70 0.00 0.00 175.22 176.79 2daq s PHE 54 N 2.08 2.35 0.00 0.36 0.08 -1.20 0.23 117.98 121.87 2daq s PHE 54 Ca 0.31 1.15 0.00 0.00 0.12 0.00 0.00 56.93 58.52 2daq s PHE 54 Cb -0.16 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 2daq s PHE 54 CO 0.11 -2.42 0.00 0.41 -0.10 0.00 0.00 175.22 173.21 2daq n GLY 55 N -1.33 1.25 0.07 4.36 0.00 -1.26 -4.05 105.19 104.23 2daq n GLY 55 Ca 0.07 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2daq n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2daq h SER 56 N 0.00 0.00 -2.14 1.61 0.87 -1.91 -3.45 113.55 108.53 2daq h SER 56 Ca 0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 2daq h SER 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2daq h SER 56 CO 0.00 1.02 0.00 1.41 -0.53 0.00 0.00 176.83 178.73 2daq n HIS 57 N -4.60 0.00 -3.83 2.24 -0.00 0.13 -5.08 115.22 104.09 2daq n HIS 57 Ca -0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.46 2daq n HIS 57 Cb 0.44 -1.07 -0.13 0.00 -0.00 0.00 0.00 29.99 29.23 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 -1.91 -0.10 0.05 0.41 1.01 -1.17 -4.93 116.67 110.03 2daq s ASP 58 Ca 0.00 0.21 -0.05 0.00 0.71 0.00 0.00 52.55 53.41 2daq s ASP 58 Cb 0.00 0.20 -0.05 0.00 1.01 0.00 0.00 42.92 44.08 2daq s ASP 58 CO 0.00 -0.04 0.29 -0.31 0.21 0.00 0.00 175.17 175.32 2daq s TYR 59 N 0.12 3.55 0.14 4.23 2.02 -1.26 -1.02 117.35 125.14 2daq s TYR 59 Ca -0.01 0.54 -0.18 0.00 -0.37 0.00 0.00 57.07 57.05 2daq s TYR 59 Cb -0.01 -1.97 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2daq s TYR 59 CO -0.00 0.56 0.47 0.71 -1.57 0.00 0.00 175.55 175.72 2daq s TYR 60 N -1.42 -0.27 -0.37 2.71 2.02 -0.85 -4.95 117.35 114.21 2daq s TYR 60 Ca 0.32 -0.02 -0.09 0.00 -0.37 0.00 0.00 57.07 56.91 2daq s TYR 60 Cb -0.13 0.35 0.05 0.00 -0.40 0.00 0.00 41.96 41.83 2daq s TYR 60 CO 0.20 -0.77 0.18 -1.58 -1.57 0.00 0.00 175.55 172.01 2daq s TRP 61 N -3.80 3.28 0.00 2.71 0.52 -1.26 -1.12 118.94 119.26 2daq s TRP 61 Ca 0.03 -1.30 0.07 0.00 0.02 0.00 0.00 56.10 54.93 2daq s TRP 61 Cb 0.01 -2.51 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2daq s TRP 61 CO -0.11 -0.73 -0.23 0.14 0.02 0.00 0.00 176.95 176.04 2daq s VAL 62 N 1.46 1.84 0.90 4.03 -7.23 -1.09 -4.86 120.40 115.45 2daq s VAL 62 Ca 0.01 -1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 58.95 2daq s VAL 62 Cb -0.20 -1.55 0.23 0.00 0.56 0.00 0.00 36.38 35.42 2daq s VAL 62 CO 0.04 0.44 0.51 0.00 -0.31 0.00 0.00 175.10 175.78 2daq n HIS 63 N 2.29 -2.99 -4.35 2.82 1.44 -1.26 -2.37 115.22 110.80 2daq n HIS 63 Ca -0.16 -0.45 -0.33 0.00 -2.01 0.00 0.00 57.72 54.77 2daq n HIS 63 Cb 0.52 -0.81 -0.09 0.00 0.12 0.00 0.00 29.99 29.73 2daq n HIS 63 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2daq s GLN 64 N -4.11 2.73 0.00 -1.40 -2.07 -1.26 -4.48 119.66 109.07 2daq s GLN 64 Ca 0.40 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 2daq s GLN 64 Cb -0.07 -2.63 0.00 0.00 -1.09 0.00 0.00 33.01 29.22 2daq s GLN 64 CO 0.33 0.62 0.00 0.41 -1.32 0.00 0.00 175.29 175.34 2daq n GLY 65 N 1.50 1.14 0.03 2.60 0.00 -1.26 -4.90 105.19 104.30 2daq n GLY 65 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.08 0.32 -3.90 1.61 3.00 -1.26 -4.90 116.66 110.45 2daq n ARG 66 Ca 0.00 -0.02 -0.32 0.00 -0.01 0.00 0.00 57.85 57.51 2daq n ARG 66 Cb 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 32.46 30.83 2daq n ARG 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2daq s VAL 67 N -3.22 5.39 0.08 1.55 -7.23 -1.26 -3.90 120.40 111.80 2daq s VAL 67 Ca 0.03 -0.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.96 2daq s VAL 67 Cb 0.14 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 2daq s VAL 67 CO 0.82 0.19 -0.08 -0.36 -0.31 0.00 0.00 175.10 175.35 2daq s PHE 68 N -1.46 2.80 -0.04 2.82 0.40 -0.94 -4.85 117.98 116.71 2daq s PHE 68 Ca 0.33 -0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 2daq s PHE 68 Cb -0.13 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2daq s PHE 68 CO 0.25 0.42 1.21 -1.25 0.70 0.00 0.00 175.22 176.56 2daq s PRO 69 N -2.05 4.35 -0.11 0.24 0.04 -1.26 0.79 135.00 137.00 2daq s PRO 69 Ca 0.21 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 2daq s PRO 69 Cb -0.11 -3.55 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2daq s PRO 69 CO 0.13 -0.44 0.66 -0.47 0.04 0.00 0.00 177.00 176.92 2daq s TYR 70 N 2.16 3.51 0.44 0.56 6.14 -1.13 -4.86 117.35 124.18 2daq s TYR 70 Ca 0.57 1.13 0.05 0.00 0.64 0.00 0.00 57.07 59.45 2daq s TYR 70 Cb -0.25 -2.78 0.01 0.00 0.42 0.00 0.00 41.96 39.36 2daq s TYR 70 CO 0.23 0.02 0.62 0.14 0.64 0.00 0.00 175.55 177.19 2daq s VAL 71 N 1.11 3.25 -0.72 3.14 -7.23 -1.26 -4.94 120.40 113.75 2daq s VAL 71 Ca 0.34 -0.85 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 2daq s VAL 71 Cb -0.17 -3.14 0.26 0.00 0.56 0.00 0.00 36.38 33.89 2daq s VAL 71 CO 0.15 -0.07 0.88 1.21 -0.31 0.00 0.00 175.10 176.96 2daq n GLU 72 N -1.97 2.90 0.00 4.82 2.13 -1.26 -4.76 120.64 122.50 2daq n GLU 72 Ca 0.06 -4.65 0.00 0.00 0.66 0.00 0.00 57.16 53.22 2daq n GLU 72 Cb 0.59 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.99 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 0.95 0.68 3.65 8.31 0.00 -1.26 -5.16 105.19 112.36 2daq n GLY 73 Ca 0.29 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.63 2daq n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2daq s ASP 74 N -0.39 -0.13 -1.06 1.61 2.15 -1.26 -5.01 116.67 112.57 2daq s ASP 74 Ca 0.00 0.21 -0.10 0.00 0.43 0.00 0.00 52.55 53.09 2daq s ASP 74 Cb 0.00 0.95 -0.05 0.00 -0.30 0.00 0.00 42.92 43.52 2daq s ASP 74 CO 0.00 -0.03 0.87 0.29 -0.17 0.00 0.00 175.17 176.13 2daq n LYS 75 N 3.00 -1.90 -2.86 4.34 4.01 -1.26 -4.89 118.16 118.60 2daq n LYS 75 Ca -0.17 0.77 -0.43 0.00 -0.51 0.00 0.00 58.31 57.97 2daq n LYS 75 Cb 0.56 -5.30 -0.04 0.00 -0.51 0.00 0.00 35.03 29.74 2daq n LYS 75 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 2daq s SER 76 N -3.40 6.27 -0.08 4.39 0.01 -1.26 -4.85 113.70 114.79 2daq s SER 76 Ca 0.45 -0.60 -0.08 0.00 1.31 0.00 0.00 55.95 57.03 2daq s SER 76 Cb -0.09 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 2daq s SER 76 CO 0.78 -1.29 -0.16 0.33 0.41 0.00 0.00 173.24 173.31 2daq n PHE 77 N 7.49 0.00 -0.86 2.43 7.35 -1.26 -4.65 117.46 127.97 2daq n PHE 77 Ca -0.01 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.40 2daq n PHE 77 Cb 0.47 -0.23 -0.03 0.00 0.35 0.00 0.00 39.48 40.04 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2daq n ALA 78 N -3.44 4.08 -3.07 3.13 0.00 -1.26 -4.75 120.51 115.20 2daq n ALA 78 Ca -0.06 -2.38 -0.12 0.00 0.00 0.00 0.00 53.44 50.88 2daq n ALA 78 Cb 0.24 -3.20 -0.11 0.00 0.00 0.00 0.00 19.45 16.37 2daq n ALA 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2daq s GLU 79 N 4.03 0.32 0.00 0.00 0.41 -1.26 -5.12 118.70 117.08 2daq s GLU 79 Ca 0.44 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 2daq s GLU 79 Cb 0.11 0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.60 2daq s GLU 79 CO 0.02 -0.06 0.00 0.41 -0.49 0.00 0.00 175.26 175.14 2daq n GLY 80 N 2.26 -0.30 3.84 -1.39 0.00 -1.26 -5.12 105.19 103.21 2daq n GLY 80 Ca -0.17 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 2daq n GLY 80 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daq s GLN 81 N -2.00 4.06 0.55 1.61 0.74 -1.26 -5.05 119.66 118.30 2daq s GLN 81 Ca 0.00 0.77 -0.17 0.00 0.05 0.00 0.00 55.36 56.02 2daq s GLN 81 Cb 0.00 -2.38 -0.06 0.00 1.10 0.00 0.00 33.01 31.67 2daq s GLN 81 CO 0.00 0.12 1.03 0.95 -0.55 0.00 0.00 175.29 176.83 2daq s THR 82 N -2.02 4.06 -0.29 -0.34 -4.23 -1.26 -5.06 115.64 106.49 2daq s THR 82 Ca 0.56 1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 61.94 2daq s THR 82 Cb -0.10 -3.51 0.15 0.00 1.34 0.00 0.00 72.50 70.38 2daq s THR 82 CO 0.16 -0.53 0.96 -0.55 -0.54 0.00 0.00 174.62 174.12 2daq s SER 83 N -2.76 -0.57 0.26 3.99 0.15 -1.26 -5.15 113.70 108.37 2daq s SER 83 Ca 0.62 0.86 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2daq s SER 83 Cb -0.14 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 2daq s SER 83 CO 0.32 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.63 2daq n ILE 84 N 4.15 0.00 -4.53 6.45 3.06 -1.26 -4.83 119.36 122.39 2daq n ILE 84 Ca -0.16 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.82 2daq n ILE 84 Cb 0.56 -0.13 -0.13 0.00 0.54 0.00 0.00 39.64 40.48 2daq n ILE 84 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2daq s ASN 85 N -3.82 2.86 -0.24 9.51 2.20 -1.26 -5.13 114.94 119.06 2daq s ASN 85 Ca 0.00 -0.64 -0.16 0.00 -0.94 0.00 0.00 52.86 51.12 2daq s ASN 85 Cb 0.00 -0.21 0.07 0.00 -2.00 0.00 0.00 41.25 39.11 2daq s ASN 85 CO 0.00 0.16 0.61 -0.75 -2.94 0.00 0.00 177.10 174.17 2daq s LYS 86 N -1.63 0.64 0.27 3.55 2.47 -1.26 -5.04 119.74 118.73 2daq s LYS 86 Ca 0.10 1.03 -0.08 0.00 -1.56 0.00 0.00 55.97 55.46 2daq s LYS 86 Cb -0.10 0.16 0.44 0.00 -1.46 0.00 0.00 37.83 36.87 2daq s LYS 86 CO 0.04 -0.14 1.50 2.41 0.16 0.00 0.00 175.35 179.32 2daq n THR 87 N 3.90 -0.40 -0.33 3.43 -1.04 -1.26 0.52 114.28 119.10 2daq n THR 87 Ca -0.19 2.20 0.05 0.00 -2.04 0.00 0.00 64.05 64.07 2daq n THR 87 Cb 0.57 -3.05 0.13 0.00 -1.82 0.00 0.00 70.33 66.16 2daq n THR 87 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2daq n PHE 88 N -5.57 0.32 0.13 -1.42 7.35 -1.26 0.37 117.46 117.38 2daq n PHE 88 Ca 0.15 1.12 -0.15 0.00 -0.76 0.00 0.00 57.45 57.81 2daq n PHE 88 Cb 0.48 -1.03 -0.08 0.00 0.35 0.00 0.00 39.48 39.20 2daq n PHE 88 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2daq h LYS 89 N 0.00 -0.69 -0.99 -4.13 1.63 -0.34 0.26 116.57 112.30 2daq h LYS 89 Ca 0.44 0.05 0.41 0.00 -0.85 0.00 0.00 60.65 60.69 2daq h LYS 89 Cb 0.67 0.16 -0.18 0.00 -0.60 0.00 0.00 32.23 32.28 2daq h LYS 89 CO -0.95 -0.46 0.49 1.63 -3.45 0.00 0.00 179.45 176.72 2daq n LYS 90 N -5.48 -0.06 0.12 1.90 5.02 0.16 0.64 118.16 120.46 2daq n LYS 90 Ca -0.08 1.38 -0.11 0.00 -2.02 0.00 0.00 58.31 57.48 2daq n LYS 90 Cb 0.40 -2.46 -0.07 0.00 -0.02 0.00 0.00 35.03 32.88 2daq n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2daq h ALA 91 N 1.99 -0.37 -0.78 7.82 0.00 -0.28 -0.12 119.26 127.53 2daq h ALA 91 Ca 0.82 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.71 2daq h ALA 91 Cb 2.15 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.94 2daq h ALA 91 CO -0.78 -0.43 -0.14 -0.07 0.00 0.00 0.00 179.25 177.83 2daq h LEU 92 N -0.92 -0.63 0.69 0.00 3.38 0.35 1.09 115.31 119.27 2daq h LEU 92 Ca -0.04 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2daq h LEU 92 Cb 0.50 0.45 0.01 0.00 0.09 0.00 0.00 40.66 41.71 2daq h LEU 92 CO 0.06 -0.24 -0.33 -0.33 0.09 0.00 0.00 178.44 177.69 2daq h GLU 93 N 0.02 -0.89 -0.53 1.13 5.08 -0.17 -2.48 114.58 116.74 2daq h GLU 93 Ca 0.39 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.90 2daq h GLU 93 Cb 0.63 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.98 2daq h GLU 93 CO -0.78 -0.59 -0.38 0.93 -1.00 0.00 0.00 179.01 177.19 2daq h GLU 94 N -1.04 -0.22 -0.85 2.33 5.08 0.05 0.18 114.58 120.11 2daq h GLU 94 Ca -0.09 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2daq h GLU 94 Cb 0.71 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.85 2daq h GLU 94 CO 0.16 -0.14 -0.25 0.00 -1.00 0.00 0.00 179.01 177.77 2daq h ALA 95 N 0.76 0.46 0.63 3.43 0.00 0.12 0.14 119.26 124.79 2daq h ALA 95 Ca 0.19 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 2daq h ALA 95 Cb 0.56 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2daq h ALA 95 CO -0.64 -0.45 -0.51 0.00 0.00 0.00 0.00 179.25 177.65 2daq h ALA 96 N 1.72 -1.21 -0.37 0.00 0.00 -0.23 -2.00 119.26 117.16 2daq h ALA 96 Ca 0.39 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2daq h ALA 96 Cb 0.62 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2daq h ALA 96 CO -0.88 -1.21 -0.22 -0.22 0.00 0.00 0.00 179.25 176.73 2daq h LYS 97 N -1.10 -0.00 -0.72 0.00 1.63 0.73 0.64 116.57 117.75 2daq h LYS 97 Ca -0.08 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.78 2daq h LYS 97 Cb 0.92 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.47 2daq h LYS 97 CO 0.01 -0.00 -0.43 0.54 -3.45 0.00 0.00 179.45 176.12 2daq n ARG 98 N -3.83 -0.32 -0.35 1.90 5.12 0.04 0.19 116.66 119.40 2daq n ARG 98 Ca 0.01 1.28 0.25 0.00 -1.93 0.00 0.00 57.85 57.46 2daq n ARG 98 Cb 0.10 -1.89 0.51 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.75 0.00 -1.55 3.57 -0.26 1.32 116.94 120.77 2daq h PHE 99 Ca 0.12 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.46 2daq h PHE 99 Cb 0.30 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2daq h PHE 99 CO -0.92 -0.06 -0.84 1.96 -2.23 0.00 0.00 178.31 176.22 2daq h GLN 100 N 0.34 0.11 0.17 1.11 1.08 0.41 -3.11 115.11 115.21 2daq h GLN 100 Ca 0.69 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.76 2daq h GLN 100 Cb 1.74 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 2daq h GLN 100 CO -0.43 0.88 -0.08 0.93 -0.95 0.00 0.00 178.83 179.18 2daq h GLU 101 N 0.06 -0.22 -0.29 1.46 5.08 0.76 -0.65 114.58 120.78 2daq h GLU 101 Ca -0.03 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2daq h GLU 101 Cb 1.46 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 2daq h GLU 101 CO 0.12 0.20 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.01 2daq h LEU 102 N -0.87 -0.88 -0.17 1.33 4.07 0.18 1.29 115.31 120.25 2daq h LEU 102 Ca -0.02 0.12 0.05 0.00 0.08 0.00 0.00 57.88 58.11 2daq h LEU 102 Cb 0.52 0.38 -0.05 0.00 1.08 0.00 0.00 40.66 42.58 2daq h LEU 102 CO 0.04 -0.15 -0.14 0.07 -1.08 0.00 0.00 178.44 177.18 2daq h LYS 103 N -0.10 -0.14 -0.42 1.13 2.10 -1.67 -2.42 116.57 115.06 2daq h LYS 103 Ca 0.05 0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.76 2daq h LYS 103 Cb 0.23 0.03 -0.08 0.00 -0.90 0.00 0.00 32.23 31.51 2daq h LYS 103 CO -0.33 -0.09 -0.56 0.00 -2.00 0.00 0.00 179.45 176.47 2daq h ALA 104 N 0.97 -0.78 -6.37 0.07 0.00 0.53 -3.46 119.26 110.22 2daq h ALA 104 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 2daq h ALA 104 Cb 0.30 1.13 0.01 0.00 0.00 0.00 0.00 17.79 19.24 2daq h ALA 104 CO -0.26 -1.05 -1.11 0.45 0.00 0.00 0.00 179.25 177.27 2daq n SER 105 N -5.38 -5.96 0.00 0.00 2.88 0.43 -4.89 113.62 100.70 2daq n SER 105 Ca -0.03 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2daq n SER 105 Cb 0.34 -2.09 0.00 0.00 -0.75 0.00 0.00 64.21 61.71 2daq n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daq n GLY 106 N 0.05 1.98 3.82 0.46 0.00 -1.26 -5.12 105.19 105.12 2daq n GLY 106 Ca -0.05 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.46 2.87 -0.09 1.61 0.04 -1.26 -4.57 135.00 132.13 2daq s PRO 107 Ca 0.00 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 61.94 2daq s PRO 107 Cb 0.00 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2daq s PRO 107 CO 0.00 -1.14 0.06 0.43 0.04 0.00 0.00 177.00 176.39 2daq n SER 108 N -3.15 -5.73 -4.76 6.66 7.64 -1.26 -4.89 113.62 108.13 2daq n SER 108 Ca 0.07 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.55 2daq n SER 108 Cb 0.54 -3.03 -0.06 0.00 -1.01 0.00 0.00 64.21 60.65 2daq n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2daq s SER 109 N -0.67 7.45 0.00 6.43 0.15 -1.26 -5.08 113.70 120.73 2daq s SER 109 Ca -0.07 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.31 2daq s SER 109 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2daq s SER 109 CO 0.31 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.48