#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daq s SER 2 N 0.00 7.04 0.67 1.61 0.01 -1.26 -5.00 113.70 116.77 2daq s SER 2 Ca 0.00 1.28 -0.17 0.00 1.31 0.00 0.00 55.95 58.37 2daq s SER 2 Cb 0.00 -2.49 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 2daq s SER 2 CO 0.00 -0.46 0.26 -1.54 0.41 0.00 0.00 173.24 171.91 2daq n SER 3 N 5.40 -2.17 -4.74 2.44 3.41 -1.26 -4.91 113.62 111.79 2daq n SER 3 Ca 0.07 0.60 -0.39 0.00 -0.26 0.00 0.00 58.87 58.88 2daq n SER 3 Cb 0.48 -1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 63.30 2daq n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2daq s GLY 4 N -1.27 2.67 -0.94 5.00 0.00 -1.26 -4.98 107.32 106.55 2daq s GLY 4 Ca 0.62 0.14 -0.24 0.00 0.00 0.00 0.00 44.72 45.24 2daq s GLY 4 CO 0.61 1.00 1.72 -0.45 0.00 0.00 0.00 173.10 175.98 2daq s SER 5 N 0.16 5.74 -0.58 1.64 0.15 -1.26 -4.92 113.70 114.63 2daq s SER 5 Ca 0.35 -0.96 -0.20 0.00 0.70 0.00 0.00 55.95 55.85 2daq s SER 5 Cb -0.19 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.64 2daq s SER 5 CO 0.19 -2.20 0.72 -0.44 1.20 0.00 0.00 173.24 172.72 2daq s SER 6 N 6.66 6.20 -1.04 5.45 0.01 -1.26 -4.98 113.70 124.73 2daq s SER 6 Ca 0.59 -1.19 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 2daq s SER 6 Cb -0.04 -2.32 0.14 0.00 0.21 0.00 0.00 66.02 64.01 2daq s SER 6 CO -0.04 -1.10 1.25 -0.83 0.41 0.00 0.00 173.24 172.94 2daq s GLY 7 N 3.35 2.09 -0.30 3.44 0.00 -1.26 -4.75 107.32 109.89 2daq s GLY 7 Ca 0.14 -2.98 0.08 0.00 0.00 0.00 0.00 44.72 41.96 2daq s GLY 7 CO 0.09 2.05 1.34 0.28 0.00 0.00 0.00 173.10 176.85 2daq n LYS 8 N 6.28 2.54 -1.97 2.90 5.02 -1.26 -5.03 118.16 126.63 2daq n LYS 8 Ca 0.29 -3.62 0.00 0.00 -2.02 0.00 0.00 58.31 52.96 2daq n LYS 8 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 -0.95 -5.79 -4.56 -0.35 4.77 -1.26 -5.01 117.00 103.85 2daq n LEU 9 Ca 0.36 2.94 -0.32 0.00 -0.03 0.00 0.00 56.01 58.96 2daq n LEU 9 Cb 0.89 -2.98 -0.11 0.00 -2.33 0.00 0.00 43.42 38.89 2daq n LEU 9 CO 0.26 -1.74 -0.41 -1.00 -1.33 0.00 0.00 177.39 173.17 2daq s HIS 10 N -0.48 2.81 0.99 -1.77 3.76 -1.26 -5.09 115.29 114.25 2daq s HIS 10 Ca 0.00 -0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 2daq s HIS 10 Cb 0.00 -1.58 -0.15 0.00 1.11 0.00 0.00 32.58 31.96 2daq s HIS 10 CO 0.00 0.34 -0.84 0.66 -0.85 0.00 0.00 174.74 174.05 2daq n TYR 11 N 1.59 -4.97 -3.46 1.40 4.01 -1.26 -3.56 117.16 110.90 2daq n TYR 11 Ca -0.16 -0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.44 2daq n TYR 11 Cb 0.52 -1.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.15 2daq n TYR 11 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2daq n LYS 12 N 2.47 -1.41 -3.71 -0.72 5.02 0.24 -4.96 118.16 115.08 2daq n LYS 12 Ca -0.02 1.04 -0.12 0.00 -2.02 0.00 0.00 58.31 57.19 2daq n LYS 12 Cb 0.56 -3.99 -0.13 0.00 -0.02 0.00 0.00 35.03 31.45 2daq n LYS 12 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2daq s GLN 13 N -4.22 0.22 -0.04 1.97 0.74 -1.19 -4.92 119.66 112.22 2daq s GLN 13 Ca 0.05 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 55.77 2daq s GLN 13 Cb -0.02 -0.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.97 2daq s GLN 13 CO 0.83 -0.19 1.15 0.42 -0.55 0.00 0.00 175.29 176.95 2daq s ILE 14 N 1.53 4.36 0.11 -2.34 -1.09 -1.26 -0.34 121.20 122.17 2daq s ILE 14 Ca -0.07 1.68 -0.06 0.00 -2.23 0.00 0.00 60.65 59.97 2daq s ILE 14 Cb -0.11 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2daq s ILE 14 CO -0.09 0.04 0.17 0.68 -1.23 0.00 0.00 174.94 174.50 2daq s VAL 15 N 1.85 0.13 -0.29 2.92 -7.23 0.41 -2.92 120.40 115.27 2daq s VAL 15 Ca 0.55 -1.44 -0.18 0.00 -1.81 0.00 0.00 61.98 59.09 2daq s VAL 15 Cb -0.24 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 2daq s VAL 15 CO 0.23 -0.57 0.51 0.26 -0.31 0.00 0.00 175.10 175.23 2daq s TRP 16 N -3.93 3.24 0.21 2.82 0.52 0.20 0.83 118.94 122.83 2daq s TRP 16 Ca 0.12 0.51 -0.28 0.00 0.02 0.00 0.00 56.10 56.47 2daq s TRP 16 Cb 0.05 -2.78 -0.09 0.00 -1.15 0.00 0.00 33.47 29.51 2daq s TRP 16 CO -0.06 -0.35 0.87 0.08 0.02 0.00 0.00 176.95 177.51 2daq s VAL 17 N 2.34 4.20 -0.17 4.03 1.01 0.51 -1.89 120.40 130.42 2daq s VAL 17 Ca 0.21 1.93 -0.15 0.00 0.00 0.00 0.00 61.98 63.97 2daq s VAL 17 Cb -0.15 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 2daq s VAL 17 CO 0.10 0.51 0.34 -0.54 0.00 0.00 0.00 175.10 175.51 2daq s LYS 18 N -1.14 4.23 -0.82 2.72 1.02 -1.26 -2.25 119.74 122.24 2daq s LYS 18 Ca 0.39 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.54 2daq s LYS 18 Cb -0.25 -3.47 0.31 0.00 -0.52 0.00 0.00 37.83 33.91 2daq s LYS 18 CO 0.30 0.13 1.29 1.28 -0.92 0.00 0.00 175.35 177.43 2daq n LEU 19 N 3.91 5.63 0.00 3.17 4.77 -1.26 -5.00 117.00 128.22 2daq n LEU 19 Ca -0.10 -5.47 0.00 0.00 -0.03 0.00 0.00 56.01 50.41 2daq n LEU 19 Cb 0.52 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2daq n LEU 19 CO 0.40 2.09 0.00 0.61 -1.33 0.00 0.00 177.39 179.16 2daq n GLY 20 N 0.28 0.53 2.87 -0.72 0.00 -1.26 -2.64 105.19 104.25 2daq n GLY 20 Ca 0.35 0.77 -0.30 0.00 0.00 0.00 0.00 46.02 46.84 2daq n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daq s ASN 21 N -4.00 4.12 0.00 1.61 4.22 -1.26 -5.05 114.94 114.58 2daq s ASN 21 Ca 0.00 -3.00 0.00 0.00 -2.14 0.00 0.00 52.86 47.72 2daq s ASN 21 Cb 0.00 -1.44 0.00 0.00 1.28 0.00 0.00 41.25 41.09 2daq s ASN 21 CO 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 177.10 174.84 2daq n TYR 22 N 3.10 0.00 -1.53 1.54 9.36 -1.08 -5.14 117.16 123.41 2daq n TYR 22 Ca 0.08 0.00 -0.48 0.00 3.32 0.00 0.00 57.90 60.82 2daq n TYR 22 Cb 0.33 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.01 2daq n TYR 22 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2daq n ARG 23 N -0.11 0.86 -2.06 2.98 1.85 -1.26 -4.64 116.66 114.28 2daq n ARG 23 Ca 0.00 0.30 -0.36 0.00 -1.00 0.00 0.00 57.85 56.79 2daq n ARG 23 Cb 0.00 -1.64 0.02 0.00 -1.05 0.00 0.00 32.46 29.79 2daq n ARG 23 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2daq s TRP 24 N -0.66 2.51 -0.07 2.89 0.52 -1.26 -4.64 118.94 118.23 2daq s TRP 24 Ca 0.67 1.50 0.01 0.00 0.02 0.00 0.00 56.10 58.30 2daq s TRP 24 Cb -0.85 -3.49 0.02 0.00 -1.15 0.00 0.00 33.47 28.00 2daq s TRP 24 CO 0.56 -2.10 -0.07 -0.46 0.02 0.00 0.00 176.95 174.90 2daq s TRP 25 N -1.55 1.10 0.50 -1.98 -0.11 -0.95 -5.01 118.94 110.94 2daq s TRP 25 Ca 0.73 -0.41 -0.20 0.00 1.22 0.00 0.00 56.10 57.45 2daq s TRP 25 Cb -0.31 -0.91 -0.08 0.00 -1.50 0.00 0.00 33.47 30.67 2daq s TRP 25 CO 0.35 -0.29 1.04 -1.25 -4.62 0.00 0.00 176.95 172.18 2daq s PRO 26 N 1.08 3.74 0.20 5.86 0.04 -1.26 0.19 135.00 144.85 2daq s PRO 26 Ca -0.08 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.07 2daq s PRO 26 Cb -0.14 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.36 2daq s PRO 26 CO -0.01 -0.48 0.70 0.00 0.04 0.00 0.00 177.00 177.25 2daq s ALA 27 N -2.06 -1.45 -0.03 8.56 0.00 0.24 -3.48 121.76 123.54 2daq s ALA 27 Ca 0.67 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.82 2daq s ALA 27 Cb -0.16 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 2daq s ALA 27 CO 0.22 -0.90 -0.16 -2.00 0.00 0.00 0.00 175.76 172.92 2daq s GLU 28 N -3.75 1.51 0.08 0.00 -6.30 -1.08 0.15 118.70 109.31 2daq s GLU 28 Ca 0.06 -0.58 -0.31 0.00 -2.50 0.00 0.00 54.97 51.65 2daq s GLU 28 Cb -0.03 -1.38 -0.07 0.00 0.00 0.00 0.00 34.13 32.65 2daq s GLU 28 CO -0.03 0.29 1.40 0.42 0.02 0.00 0.00 175.26 177.36 2daq s ILE 29 N -0.16 3.43 0.46 -3.70 1.01 0.54 -1.55 121.20 121.24 2daq s ILE 29 Ca 0.01 0.97 0.06 0.00 0.00 0.00 0.00 60.65 61.70 2daq s ILE 29 Cb -0.09 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2daq s ILE 29 CO 0.01 0.05 0.23 0.00 0.00 0.00 0.00 174.94 175.23 2daq s ASN 31 N -4.02 5.62 0.27 0.00 -0.87 -1.26 -4.26 114.94 110.42 2daq s ASN 31 Ca 0.35 -0.16 0.25 0.00 -1.57 0.00 0.00 52.86 51.73 2daq s ASN 31 Cb 0.01 -1.47 0.90 0.00 -0.02 0.00 0.00 41.25 40.67 2daq s ASN 31 CO 0.20 0.00 1.75 1.55 -2.57 0.00 0.00 177.10 178.03 2daq h PRO 32 N 1.83 0.00 0.00 -0.60 0.13 -1.92 -2.65 132.00 128.79 2daq h PRO 32 Ca -0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.50 2daq h PRO 32 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2daq h PRO 32 CO 0.62 0.00 -0.93 0.00 -0.23 0.00 0.00 178.00 177.46 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.95 -3.38 114.38 112.38 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 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2daq h ARG 33 CO 0.00 0.50 -0.01 1.03 0.56 0.00 0.00 179.97 182.05 2daq h SER 34 N 0.00 0.00 -2.71 7.04 0.87 -1.91 -3.47 113.55 113.37 2daq h SER 34 Ca -0.07 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.94 2daq h SER 34 Cb 1.53 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 63.71 2daq h SER 34 CO 0.07 0.29 -1.09 1.33 -0.53 0.00 0.00 176.83 176.90 2daq n VAL 35 N -3.59 0.31 -0.09 2.23 0.24 -1.02 -4.98 118.33 111.42 2daq n VAL 35 Ca -0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2daq n VAL 35 Cb 0.01 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 2daq n VAL 35 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2daq n PRO 36 N 0.36 0.82 -0.09 7.34 -0.04 -1.26 -4.87 135.00 137.26 2daq n PRO 36 Ca 0.04 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.34 2daq n PRO 36 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 2daq n PRO 36 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2daq h LEU 37 N 0.00 0.00 -1.91 1.53 -0.00 -1.94 -2.95 115.31 110.04 2daq h LEU 37 Ca 0.00 -0.59 0.56 0.00 -0.00 0.00 0.00 57.88 57.85 2daq h LEU 37 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.58 2daq h LEU 37 CO 0.00 1.19 1.37 -0.46 -0.00 0.00 0.00 178.44 180.54 2daq n ASN 38 N -4.53 0.01 -0.04 -0.43 6.94 -1.26 0.00 115.26 115.95 2daq n ASN 38 Ca -0.20 0.98 -0.01 0.00 -0.02 0.00 0.00 54.58 55.33 2daq n ASN 38 Cb 0.53 -0.49 -0.00 0.00 -2.36 0.00 0.00 39.78 37.45 2daq n ASN 38 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2daq h ILE 39 N 0.00 0.00 -0.93 1.53 1.08 -1.94 -3.37 117.51 113.88 2daq h ILE 39 Ca 0.92 -0.76 0.17 0.00 -0.39 0.00 0.00 64.86 64.80 2daq h ILE 39 Cb 3.65 0.00 -0.17 0.00 -3.07 0.00 0.00 36.82 37.23 2daq h ILE 39 CO -0.03 0.00 -0.27 0.00 -0.69 0.00 0.00 178.15 177.17 2daq n GLN 40 N -4.09 -0.12 -0.42 2.37 6.02 0.10 0.20 117.38 121.44 2daq n GLN 40 Ca -0.02 1.44 0.36 0.00 -0.01 0.00 0.00 57.00 58.77 2daq n GLN 40 Cb 0.08 -2.15 0.63 0.00 1.02 0.00 0.00 30.24 29.81 2daq n GLN 40 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2daq h GLY 41 N 0.00 1.54 -3.93 1.08 0.00 -0.79 -3.41 103.07 97.56 2daq h GLY 41 Ca 0.41 -0.13 -0.60 0.00 0.00 0.00 0.00 47.33 47.02 2daq h GLY 41 CO -0.95 -0.49 -1.06 1.04 0.00 0.00 0.00 176.54 175.08 2daq n LEU 42 N -4.82 -3.16 -4.08 3.11 4.77 0.54 -4.97 117.00 108.38 2daq n LEU 42 Ca 0.38 0.68 -0.20 0.00 -0.03 0.00 0.00 56.01 56.83 2daq n LEU 42 Cb 1.40 -0.88 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 2daq n LEU 42 CO 0.16 -4.58 -0.46 -1.59 -1.33 0.00 0.00 177.39 169.60 2daq s LYS 43 N -1.11 0.94 0.00 3.23 -2.85 -1.26 -5.01 119.74 113.67 2daq s LYS 43 Ca 0.58 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 2daq s LYS 43 Cb -0.50 -0.91 0.00 0.00 -2.06 0.00 0.00 37.83 34.36 2daq s LYS 43 CO 0.65 0.24 0.00 1.58 0.10 0.00 0.00 175.35 177.92 2daq n HIS 44 N 2.58 -0.53 -3.46 1.78 -0.00 -1.26 -5.00 115.22 109.33 2daq n HIS 44 Ca -0.15 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 57.93 2daq n HIS 44 Cb 0.56 0.11 -0.02 0.00 -0.12 0.00 0.00 29.99 30.51 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 1.20 -0.48 0.02 0.26 2.15 -1.26 -5.07 116.67 113.49 2daq s ASP 45 Ca 0.00 -0.00 -0.16 0.00 0.43 0.00 0.00 52.55 52.82 2daq s ASP 45 Cb 0.00 0.51 -0.09 0.00 -0.30 0.00 0.00 42.92 43.04 2daq s ASP 45 CO 0.00 -0.82 1.08 -0.07 -0.17 0.00 0.00 175.17 175.19 2daq h LEU 46 N 2.00 -0.49 -0.36 -1.34 3.38 -2.03 -3.30 115.31 113.17 2daq h LEU 46 Ca -0.29 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2daq h LEU 46 Cb 1.28 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.11 2daq h LEU 46 CO 0.35 -0.31 -0.22 1.23 0.09 0.00 0.00 178.44 179.57 2daq h GLY 47 N -0.66 -1.99 -5.12 0.83 0.00 -1.99 -3.40 103.07 90.73 2daq h GLY 47 Ca -0.06 1.02 -0.68 0.00 0.00 0.00 0.00 47.33 47.60 2daq h GLY 47 CO 0.10 -0.62 -0.45 1.22 0.00 0.00 0.00 176.54 176.78 2daq n ASP 48 N -3.84 -1.08 -4.47 0.19 9.92 -1.24 -4.86 116.55 111.16 2daq n ASP 48 Ca 0.01 1.13 -0.23 0.00 -0.53 0.00 0.00 54.79 55.17 2daq n ASP 48 Cb 0.10 -0.95 -0.10 0.00 -0.64 0.00 0.00 41.12 39.53 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 -0.88 2.19 0.21 1.24 -0.12 -1.08 -4.79 117.98 114.76 2daq s PHE 49 Ca 0.67 -0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 56.78 2daq s PHE 49 Cb -0.97 -1.10 -0.08 0.00 -0.63 0.00 0.00 43.02 40.24 2daq s PHE 49 CO 0.56 0.56 1.10 -1.25 -0.05 0.00 0.00 175.22 176.15 2daq s PRO 50 N -3.59 4.61 0.01 1.99 0.04 -1.26 -2.54 135.00 134.26 2daq s PRO 50 Ca 0.30 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2daq s PRO 50 Cb -0.01 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2daq s PRO 50 CO 0.14 0.12 -0.06 0.14 0.04 0.00 0.00 177.00 177.37 2daq s VAL 51 N -0.56 0.50 -0.25 -0.36 -7.23 0.09 -0.67 120.40 111.92 2daq s VAL 51 Ca 0.48 -0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 60.08 2daq s VAL 51 Cb -0.30 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.14 2daq s VAL 51 CO 0.37 0.02 0.24 0.12 -0.31 0.00 0.00 175.10 175.54 2daq s PHE 52 N -0.42 3.29 -0.35 2.82 5.36 -0.60 -1.67 117.98 126.41 2daq s PHE 52 Ca -0.00 0.30 -0.23 0.00 -0.96 0.00 0.00 56.93 56.04 2daq s PHE 52 Cb -0.04 -2.39 0.01 0.00 -0.34 0.00 0.00 43.02 40.26 2daq s PHE 52 CO -0.00 -0.05 0.77 -0.06 -1.46 0.00 0.00 175.22 174.42 2daq s PHE 53 N 1.43 3.13 0.91 10.12 0.40 -0.20 -2.62 117.98 131.15 2daq s PHE 53 Ca 0.11 0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 56.91 2daq s PHE 53 Cb -0.15 -3.35 0.14 0.00 0.51 0.00 0.00 43.02 40.17 2daq s PHE 53 CO 0.07 -0.70 1.12 -0.06 0.70 0.00 0.00 175.22 176.35 2daq s PHE 54 N 3.05 1.83 0.00 0.36 0.08 -1.23 0.53 117.98 122.60 2daq s PHE 54 Ca 0.31 1.65 0.00 0.00 0.12 0.00 0.00 56.93 59.01 2daq s PHE 54 Cb -0.13 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 2daq s PHE 54 CO 0.16 -2.69 0.00 0.41 -0.10 0.00 0.00 175.22 173.00 2daq n GLY 55 N -0.11 1.50 0.09 4.36 0.00 -1.26 -4.25 105.19 105.51 2daq n GLY 55 Ca 0.10 -0.02 -0.18 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 0.06 -2.83 1.61 0.87 -1.89 -3.46 113.55 107.92 2daq h SER 56 Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 2daq h SER 56 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2daq h SER 56 CO 0.00 1.24 0.00 1.41 -0.53 0.00 0.00 176.83 178.95 2daq n HIS 57 N -4.47 0.00 -3.74 2.24 -0.00 0.19 -5.07 115.22 104.37 2daq n HIS 57 Ca -0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.40 2daq n HIS 57 Cb 0.60 -1.41 -0.10 0.00 -0.00 0.00 0.00 29.99 29.08 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 -1.82 -0.39 0.08 0.41 1.01 -1.21 -4.95 116.67 109.81 2daq s ASP 58 Ca 0.00 0.73 -0.06 0.00 0.71 0.00 0.00 52.55 53.93 2daq s ASP 58 Cb 0.00 0.76 -0.05 0.00 1.01 0.00 0.00 42.92 44.63 2daq s ASP 58 CO 0.00 -0.16 0.34 -0.31 0.21 0.00 0.00 175.17 175.25 2daq s TYR 59 N 0.08 3.53 0.05 4.23 2.02 -1.26 -1.03 117.35 124.97 2daq s TYR 59 Ca -0.01 0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 57.11 2daq s TYR 59 Cb -0.03 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2daq s TYR 59 CO 0.01 0.51 0.38 0.71 -1.57 0.00 0.00 175.55 175.60 2daq s TYR 60 N -1.49 -0.22 -0.43 2.71 2.02 -0.67 -4.93 117.35 114.34 2daq s TYR 60 Ca 0.35 0.14 -0.13 0.00 -0.37 0.00 0.00 57.07 57.07 2daq s TYR 60 Cb -0.13 0.19 0.05 0.00 -0.40 0.00 0.00 41.96 41.67 2daq s TYR 60 CO 0.21 -0.56 0.30 -1.58 -1.57 0.00 0.00 175.55 172.36 2daq s TRP 61 N -2.54 3.26 -0.02 2.71 0.52 -1.26 -0.73 118.94 120.88 2daq s TRP 61 Ca -0.05 -1.00 0.05 0.00 0.02 0.00 0.00 56.10 55.12 2daq s TRP 61 Cb -0.01 -2.84 -0.01 0.00 -1.15 0.00 0.00 33.47 29.46 2daq s TRP 61 CO -0.03 -0.73 -0.17 0.14 0.02 0.00 0.00 176.95 176.18 2daq s VAL 62 N 1.58 1.32 1.15 4.03 -7.23 -1.05 -4.90 120.40 115.30 2daq s VAL 62 Ca 0.03 -0.70 -0.17 0.00 -1.81 0.00 0.00 61.98 59.34 2daq s VAL 62 Cb -0.22 -1.10 0.24 0.00 0.56 0.00 0.00 36.38 35.86 2daq s VAL 62 CO 0.06 0.37 0.53 0.00 -0.31 0.00 0.00 175.10 175.75 2daq n HIS 63 N 2.76 -2.79 -4.09 2.82 1.44 -1.26 -2.62 115.22 111.47 2daq n HIS 63 Ca -0.15 -0.26 -0.22 0.00 -2.01 0.00 0.00 57.72 55.07 2daq n HIS 63 Cb 0.54 -1.38 -0.05 0.00 0.12 0.00 0.00 29.99 29.23 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 -3.98 2.82 0.00 -1.40 -2.07 -1.26 -4.52 119.66 109.24 2daq s GLN 64 Ca 0.46 -1.14 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 2daq s GLN 64 Cb -0.08 -2.50 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 2daq s GLN 64 CO 0.40 0.35 0.00 0.41 -1.32 0.00 0.00 175.29 175.13 2daq n GLY 65 N -1.18 3.07 0.04 2.60 0.00 -1.26 -4.81 105.19 103.65 2daq n GLY 65 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.59 0.09 -3.88 1.61 1.74 -1.26 -4.78 116.66 109.58 2daq n ARG 66 Ca 0.00 0.09 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2daq n ARG 66 Cb 0.00 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 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 -3.04 5.36 0.04 1.55 -7.23 -1.26 -4.11 120.40 111.72 2daq s VAL 67 Ca 0.12 -0.29 0.05 0.00 -1.81 0.00 0.00 61.98 60.05 2daq s VAL 67 Cb 0.16 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2daq s VAL 67 CO 0.54 0.15 -0.08 -0.36 -0.31 0.00 0.00 175.10 175.05 2daq s PHE 68 N -1.50 2.84 -0.02 2.82 0.40 -0.79 -4.84 117.98 116.88 2daq s PHE 68 Ca 0.35 -0.08 -0.30 0.00 -0.60 0.00 0.00 56.93 56.29 2daq s PHE 68 Cb -0.13 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 2daq s PHE 68 CO 0.26 0.39 1.20 -1.25 0.70 0.00 0.00 175.22 176.53 2daq s PRO 69 N -1.75 4.38 -0.11 0.24 0.04 -1.26 0.60 135.00 137.14 2daq s PRO 69 Ca 0.19 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 2daq s PRO 69 Cb -0.11 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 2daq s PRO 69 CO 0.10 -0.39 0.83 -0.47 0.04 0.00 0.00 177.00 177.12 2daq s TYR 70 N 1.87 3.50 0.22 0.56 6.14 -1.15 -4.88 117.35 123.62 2daq s TYR 70 Ca 0.57 1.35 0.03 0.00 0.64 0.00 0.00 57.07 59.66 2daq s TYR 70 Cb -0.26 -2.99 -0.03 0.00 0.42 0.00 0.00 41.96 39.09 2daq s TYR 70 CO 0.24 -0.12 0.36 0.08 0.64 0.00 0.00 175.55 176.75 2daq s VAL 71 N 1.63 5.26 -0.53 3.14 1.01 -1.26 -4.98 120.40 124.67 2daq s VAL 71 Ca 0.41 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2daq s VAL 71 Cb -0.18 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.53 2daq s VAL 71 CO 0.17 -0.27 0.33 -0.70 0.00 0.00 0.00 175.10 174.63 2daq s GLU 72 N -3.72 2.28 0.00 2.72 -6.30 -1.26 -4.87 118.70 107.55 2daq s GLU 72 Ca 0.35 -2.27 0.00 0.00 -2.50 0.00 0.00 54.97 50.56 2daq s GLU 72 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 34.13 30.41 2daq s GLU 72 CO 0.30 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.86 2daq n GLY 73 N 3.87 -0.70 1.40 -1.50 0.00 -1.26 -5.08 105.19 101.92 2daq n GLY 73 Ca 0.04 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -0.48 -3.60 1.61 -0.08 -1.26 -5.16 116.55 107.58 2daq n ASP 74 Ca 0.00 0.13 -0.06 0.00 -1.51 0.00 0.00 54.79 53.35 2daq n ASP 74 Cb 0.00 0.76 -0.01 0.00 2.34 0.00 0.00 41.12 44.21 2daq n ASP 74 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2daq s LYS 75 N -2.00 1.69 0.22 -0.67 1.02 -1.26 -5.13 119.74 113.60 2daq s LYS 75 Ca 0.00 -0.99 -0.32 0.00 0.02 0.00 0.00 55.97 54.69 2daq s LYS 75 Cb 0.00 0.54 -0.14 0.00 -0.52 0.00 0.00 37.83 37.71 2daq s LYS 75 CO 0.00 -0.78 1.28 -1.13 -0.92 0.00 0.00 175.35 173.79 2daq n SER 76 N -0.72 2.06 -0.10 2.83 3.41 -1.26 -4.91 113.62 114.93 2daq n SER 76 Ca -0.05 1.15 -0.20 0.00 -0.26 0.00 0.00 58.87 59.50 2daq n SER 76 Cb 0.60 -1.33 -0.12 0.00 -0.26 0.00 0.00 64.21 63.10 2daq n SER 76 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 2daq h PHE 77 N 3.68 0.00 -0.13 7.33 0.04 -2.01 -3.48 116.94 122.37 2daq h PHE 77 Ca -0.44 0.00 0.26 0.00 2.80 0.00 0.00 57.97 60.59 2daq h PHE 77 Cb 1.31 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.27 2daq h PHE 77 CO 0.55 1.37 0.10 0.00 -0.60 0.00 0.00 178.31 179.73 2daq s ALA 78 N -2.33 -4.17 -0.02 2.45 0.00 -1.26 -5.16 121.76 111.27 2daq s ALA 78 Ca -0.26 1.38 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 2daq s ALA 78 Cb 0.04 -2.81 0.02 0.00 0.00 0.00 0.00 23.12 20.38 2daq s ALA 78 CO 0.61 -1.96 0.03 -1.21 0.00 0.00 0.00 175.76 173.23 2daq s GLU 79 N 2.98 -0.02 0.00 0.00 0.41 -1.26 -5.00 118.70 115.80 2daq s GLU 79 Ca 0.20 0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.92 2daq s GLU 79 Cb -0.03 -0.19 0.00 0.00 -1.78 0.00 0.00 34.13 32.13 2daq s GLU 79 CO -0.18 -0.13 0.00 0.41 -0.49 0.00 0.00 175.26 174.86 2daq n GLY 80 N 3.95 1.14 0.06 -1.39 0.00 -1.26 -5.02 105.19 102.67 2daq n GLY 80 Ca -0.25 -0.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 2daq n GLY 80 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2daq h GLN 81 N 0.00 -0.11 -2.14 1.61 7.50 -2.01 -3.42 115.11 116.55 2daq h GLN 81 Ca 0.00 0.01 -0.54 0.00 0.50 0.00 0.00 58.65 58.62 2daq h GLN 81 Cb 0.00 0.02 -0.41 0.00 0.05 0.00 0.00 27.48 27.15 2daq h GLN 81 CO 0.00 -0.07 -0.92 0.25 -1.50 0.00 0.00 178.83 176.59 2daq n THR 82 N -2.98 1.37 -2.91 -0.54 -2.24 -1.26 -4.99 114.28 100.73 2daq n THR 82 Ca -0.01 -5.03 -0.02 0.00 -2.27 0.00 0.00 64.05 56.72 2daq n THR 82 Cb 0.04 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2daq n THR 82 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2daq n SER 83 N 0.14 -7.48 -4.72 3.42 7.64 -1.26 -4.88 113.62 106.46 2daq n SER 83 Ca 0.28 1.00 -0.36 0.00 1.01 0.00 0.00 58.87 60.80 2daq n SER 83 Cb 0.52 -4.00 0.08 0.00 -1.01 0.00 0.00 64.21 59.81 2daq n SER 83 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2daq s ILE 84 N -1.48 2.03 -0.31 0.44 2.07 -1.26 -4.99 121.20 117.70 2daq s ILE 84 Ca 0.03 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 2daq s ILE 84 Cb -0.01 -2.87 0.09 0.00 0.13 0.00 0.00 42.46 39.81 2daq s ILE 84 CO 0.53 -0.01 0.00 0.20 -1.91 0.00 0.00 174.94 173.76 2daq s ASN 85 N -1.57 4.62 0.30 4.50 0.01 -1.26 -4.82 114.94 116.71 2daq s ASN 85 Ca 0.80 -1.90 -0.19 0.00 -0.71 0.00 0.00 52.86 50.86 2daq s ASN 85 Cb -0.35 -1.56 0.05 0.00 0.41 0.00 0.00 41.25 39.79 2daq s ASN 85 CO 0.42 -0.32 0.85 -0.54 -1.51 0.00 0.00 177.10 176.00 2daq s LYS 86 N 1.00 1.83 0.21 -0.60 -0.14 -1.26 -5.03 119.74 115.76 2daq s LYS 86 Ca 0.05 -1.13 -0.11 0.00 -1.36 0.00 0.00 55.97 53.42 2daq s LYS 86 Cb -0.19 0.54 0.30 0.00 -1.68 0.00 0.00 37.83 36.80 2daq s LYS 86 CO -0.08 -0.85 1.66 1.15 -0.76 0.00 0.00 175.35 176.47 2daq h THR 87 N 2.00 0.48 -0.84 2.17 2.02 -1.97 -0.83 112.91 115.95 2daq h THR 87 Ca -0.28 -0.04 0.15 0.00 0.77 0.00 0.00 66.41 67.01 2daq h THR 87 Cb 1.24 0.36 -0.15 0.00 -1.74 0.00 0.00 68.15 67.86 2daq h THR 87 CO 0.34 0.02 -0.32 0.15 0.37 0.00 0.00 175.52 176.09 2daq h PHE 88 N 0.11 -0.84 -0.26 3.16 3.57 -1.95 0.40 116.94 121.13 2daq h PHE 88 Ca 0.33 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.96 2daq h PHE 88 Cb 0.53 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2daq h PHE 88 CO -0.37 -0.39 -0.01 -0.22 -2.23 0.00 0.00 178.31 175.08 2daq h LYS 89 N -0.05 0.06 -1.19 1.11 3.64 -1.48 0.99 116.57 119.65 2daq h LYS 89 Ca 0.34 -0.00 0.36 0.00 -1.27 0.00 0.00 60.65 60.07 2daq h LYS 89 Cb 0.60 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.29 2daq h LYS 89 CO -0.87 0.04 0.77 -0.22 -2.27 0.00 0.00 179.45 176.90 2daq h LYS 90 N 0.06 0.21 0.13 1.90 3.64 0.14 0.34 116.57 122.99 2daq h LYS 90 Ca 0.12 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2daq h LYS 90 Cb 0.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2daq h LYS 90 CO -0.22 0.14 -0.06 0.00 -2.27 0.00 0.00 179.45 177.04 2daq h ALA 91 N 1.60 -0.17 -0.90 5.00 0.00 0.02 -2.24 119.26 122.57 2daq h ALA 91 Ca 0.71 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.63 2daq h ALA 91 Cb 2.10 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 19.80 2daq h ALA 91 CO -0.35 -0.18 -0.36 -0.07 0.00 0.00 0.00 179.25 178.28 2daq h LEU 92 N -1.01 -1.32 0.40 0.00 3.38 0.13 1.16 115.31 118.05 2daq h LEU 92 Ca -0.02 0.29 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2daq h LEU 92 Cb 0.33 0.70 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2daq h LEU 92 CO 0.03 -0.29 -0.24 -0.33 0.09 0.00 0.00 178.44 177.69 2daq h GLU 93 N -0.04 -0.58 -0.66 1.13 5.08 -0.56 -2.21 114.58 116.74 2daq h GLU 93 Ca 0.33 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 2daq h GLU 93 Cb 0.59 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.86 2daq h GLU 93 CO -0.92 -0.39 -0.39 0.93 -1.00 0.00 0.00 179.01 177.24 2daq h GLU 94 N -0.60 -0.15 -0.92 2.33 5.08 -0.59 0.31 114.58 120.04 2daq h GLU 94 Ca -0.05 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.49 2daq h GLU 94 Cb 0.48 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 29.60 2daq h GLU 94 CO 0.06 -0.10 -0.25 0.00 -1.00 0.00 0.00 179.01 177.71 2daq h ALA 95 N 0.88 0.53 0.69 3.43 0.00 0.14 0.25 119.26 125.18 2daq h ALA 95 Ca 0.22 0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2daq h ALA 95 Cb 0.56 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2daq h ALA 95 CO -0.74 -0.43 -0.49 0.00 0.00 0.00 0.00 179.25 177.59 2daq h ALA 96 N 1.82 -1.20 -0.33 0.00 0.00 0.21 -1.88 119.26 117.88 2daq h ALA 96 Ca 0.42 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2daq h ALA 96 Cb 0.66 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2daq h ALA 96 CO -0.94 -1.20 -0.24 -0.22 0.00 0.00 0.00 179.25 176.64 2daq h LYS 97 N -1.13 -0.06 -0.77 0.00 3.64 0.66 -0.13 116.57 118.78 2daq h LYS 97 Ca -0.09 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 2daq h LYS 97 Cb 0.93 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.67 2daq h LYS 97 CO 0.05 -0.04 -0.46 0.54 -2.27 0.00 0.00 179.45 177.27 2daq n ARG 98 N -3.91 -0.34 -0.34 1.90 5.12 0.52 0.18 116.66 119.80 2daq n ARG 98 Ca -0.00 1.28 0.21 0.00 -1.93 0.00 0.00 57.85 57.41 2daq n ARG 98 Cb 0.12 -1.89 0.44 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.96 -0.03 -1.55 3.57 -0.30 1.20 116.94 120.79 2daq h PHE 99 Ca 0.12 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.49 2daq h PHE 99 Cb 0.32 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2daq h PHE 99 CO -0.91 -0.08 -0.74 1.96 -2.23 0.00 0.00 178.31 176.31 2daq h GLN 100 N 0.42 0.17 0.21 1.11 1.08 0.36 -3.13 115.11 115.34 2daq h GLN 100 Ca 0.70 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.73 2daq h GLN 100 Cb 1.49 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 2daq h GLN 100 CO -0.56 0.83 -0.10 0.93 -0.95 0.00 0.00 178.83 178.99 2daq h GLU 101 N 0.11 -0.27 -0.54 1.46 5.08 0.71 -0.50 114.58 120.64 2daq h GLU 101 Ca -0.02 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2daq h GLU 101 Cb 1.30 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 2daq h GLU 101 CO 0.11 0.12 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.80 2daq h LEU 102 N -0.87 -1.31 -0.10 1.33 4.07 0.35 1.12 115.31 119.91 2daq h LEU 102 Ca -0.03 0.19 0.03 0.00 0.08 0.00 0.00 57.88 58.15 2daq h LEU 102 Cb 0.51 0.57 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 2daq h LEU 102 CO 0.05 -0.17 -0.08 0.07 -1.08 0.00 0.00 178.44 177.23 2daq h LYS 103 N -0.05 -0.10 -0.62 1.13 2.10 -1.65 -2.28 116.57 115.09 2daq h LYS 103 Ca 0.09 0.01 0.10 0.00 -2.00 0.00 0.00 60.65 58.85 2daq h LYS 103 Cb 0.28 0.02 -0.11 0.00 -0.90 0.00 0.00 32.23 31.52 2daq h LYS 103 CO -0.54 -0.06 -0.39 0.00 -2.00 0.00 0.00 179.45 176.46 2daq h ALA 104 N 0.98 -0.15 -0.56 0.07 0.00 0.89 -0.34 119.26 120.14 2daq h ALA 104 Ca 0.07 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.19 2daq h ALA 104 Cb 0.20 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2daq h ALA 104 CO -0.16 -0.74 -0.56 1.03 0.00 0.00 0.00 179.25 178.82 2daq h SER 105 N -0.17 -1.91 -3.76 0.00 0.87 0.17 -3.41 113.55 105.34 2daq h SER 105 Ca 0.22 0.27 -0.56 0.00 -1.23 0.00 0.00 61.79 60.48 2daq h SER 105 Cb 0.56 0.80 0.14 0.00 -0.44 0.00 0.00 62.40 63.46 2daq h SER 105 CO -0.71 -0.36 0.49 0.61 -0.53 0.00 0.00 176.83 176.33 2daq n GLY 106 N -1.35 0.52 2.60 5.77 0.00 -0.14 -4.82 105.19 107.77 2daq n GLY 106 Ca -0.02 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2daq n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2daq n PRO 107 N -0.55 2.61 -4.58 1.61 -0.04 -1.26 -4.82 135.00 127.98 2daq n PRO 107 Ca 0.09 -1.89 -0.24 0.00 -0.04 0.00 0.00 63.50 61.42 2daq n PRO 107 Cb 0.43 -2.73 -0.16 0.00 -0.04 0.00 0.00 33.50 30.99 2daq n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daq s SER 108 N 3.21 1.73 0.25 3.54 0.15 -1.26 -5.00 113.70 116.32 2daq s SER 108 Ca 0.53 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2daq s SER 108 Cb 0.14 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 2daq s SER 108 CO -0.03 0.05 0.00 -1.20 1.20 0.00 0.00 173.24 173.26 2daq n SER 109 N 3.70 0.01 0.00 5.45 7.64 -1.26 -4.82 113.62 124.34 2daq n SER 109 Ca -0.22 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2daq n SER 109 Cb 0.52 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 2daq n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64