#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 -2.32 -4.89 1.61 2.88 -1.26 -5.14 113.62 104.50 2daq n SER 2 Ca 0.00 0.66 -0.29 0.00 -1.33 0.00 0.00 58.87 57.91 2daq n SER 2 Cb 0.00 2.35 0.03 0.00 -0.75 0.00 0.00 64.21 65.84 2daq n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2daq s SER 3 N -2.00 5.79 0.00 -3.46 0.01 -1.26 -5.06 113.70 107.72 2daq s SER 3 Ca 0.00 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2daq s SER 3 Cb 0.00 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2daq s SER 3 CO 0.00 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.20 2daq n GLY 4 N -2.75 0.17 2.74 3.44 0.00 -1.26 -5.09 105.19 102.44 2daq n GLY 4 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2daq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daq s SER 5 N 0.37 0.93 -0.12 1.61 0.01 -1.26 -5.13 113.70 110.11 2daq s SER 5 Ca 0.00 0.17 -0.33 0.00 1.31 0.00 0.00 55.95 57.10 2daq s SER 5 Cb 0.00 0.01 0.13 0.00 0.21 0.00 0.00 66.02 66.37 2daq s SER 5 CO 0.00 -0.24 1.19 -0.44 0.41 0.00 0.00 173.24 174.16 2daq s SER 6 N 2.14 -0.14 0.00 2.44 0.01 -1.26 -5.18 113.70 111.70 2daq s SER 6 Ca 0.03 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2daq s SER 6 Cb -0.12 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2daq s SER 6 CO -0.04 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2daq n GLY 7 N -0.21 4.46 3.71 3.44 0.00 -1.26 -5.10 105.19 110.24 2daq n GLY 7 Ca -0.03 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 2daq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daq s LYS 8 N -3.56 4.38 0.38 1.61 1.02 -1.26 -4.93 119.74 117.37 2daq s LYS 8 Ca 0.00 1.85 -0.22 0.00 0.02 0.00 0.00 55.97 57.62 2daq s LYS 8 Cb 0.00 -3.38 -0.16 0.00 -0.52 0.00 0.00 37.83 33.77 2daq s LYS 8 CO 0.00 -0.37 0.17 1.28 -0.92 0.00 0.00 175.35 175.51 2daq n LEU 9 N 4.30 -2.51 -4.89 3.17 4.32 -1.26 -4.92 117.00 115.21 2daq n LEU 9 Ca 0.10 0.86 -0.34 0.00 -0.02 0.00 0.00 56.01 56.61 2daq n LEU 9 Cb 0.45 -0.90 -0.05 0.00 -1.62 0.00 0.00 43.42 41.29 2daq n LEU 9 CO 0.57 -3.97 -0.10 -1.00 -1.22 0.00 0.00 177.39 171.67 2daq s HIS 10 N -1.58 3.57 1.07 -1.77 3.76 -1.26 -5.08 115.29 114.00 2daq s HIS 10 Ca 0.60 0.51 -0.16 0.00 -0.15 0.00 0.00 55.06 55.86 2daq s HIS 10 Cb -0.68 -1.94 0.16 0.00 1.11 0.00 0.00 32.58 31.23 2daq s HIS 10 CO 0.62 0.64 0.23 0.66 -0.85 0.00 0.00 174.74 176.03 2daq n TYR 11 N 1.16 -2.19 -4.04 1.40 4.01 -1.26 -3.71 117.16 112.52 2daq n TYR 11 Ca -0.12 -0.01 -0.44 0.00 -0.16 0.00 0.00 57.90 57.17 2daq n TYR 11 Cb 0.53 -1.43 0.02 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 -2.03 -0.43 -3.73 -0.72 4.01 -0.32 -4.94 118.16 110.01 2daq n LYS 12 Ca 0.05 0.17 -0.14 0.00 -0.51 0.00 0.00 58.31 57.87 2daq n LYS 12 Cb 0.45 -2.37 -0.15 0.00 -0.51 0.00 0.00 35.03 32.45 2daq n LYS 12 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2daq s GLN 13 N -7.06 0.07 -0.01 1.97 0.74 -1.23 -4.96 119.66 109.17 2daq s GLN 13 Ca 0.41 0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.93 2daq s GLN 13 Cb -0.23 -0.21 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 2daq s GLN 13 CO 0.96 -0.20 1.06 0.42 -0.55 0.00 0.00 175.29 176.98 2daq s ILE 14 N 1.46 4.58 0.17 -2.34 -1.09 -1.26 -0.65 121.20 122.08 2daq s ILE 14 Ca -0.06 1.86 -0.12 0.00 -2.23 0.00 0.00 60.65 60.10 2daq s ILE 14 Cb -0.12 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2daq s ILE 14 CO -0.06 0.10 0.36 0.68 -1.23 0.00 0.00 174.94 174.80 2daq s VAL 15 N 1.36 0.06 0.35 2.92 -7.23 0.23 -2.91 120.40 115.17 2daq s VAL 15 Ca 0.53 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 59.52 2daq s VAL 15 Cb -0.23 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 2daq s VAL 15 CO 0.26 -0.25 0.59 0.26 -0.31 0.00 0.00 175.10 175.65 2daq s TRP 16 N -3.93 3.50 0.02 2.82 0.52 0.58 0.10 118.94 122.54 2daq s TRP 16 Ca 0.14 0.54 0.07 0.00 0.02 0.00 0.00 56.10 56.87 2daq s TRP 16 Cb 0.02 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 2daq s TRP 16 CO -0.02 0.07 -0.19 0.54 0.02 0.00 0.00 176.95 177.37 2daq s VAL 17 N -2.30 2.68 -0.28 4.03 0.11 0.28 -2.73 120.40 122.19 2daq s VAL 17 Ca 0.43 -1.11 -0.15 0.00 -2.93 0.00 0.00 61.98 58.22 2daq s VAL 17 Cb -0.10 -2.08 -0.03 0.00 -1.53 0.00 0.00 36.38 32.63 2daq s VAL 17 CO 0.35 0.42 0.37 -0.75 -3.33 0.00 0.00 175.10 172.16 2daq s LYS 18 N -1.18 3.96 0.52 1.54 2.47 -1.25 -2.42 119.74 123.40 2daq s LYS 18 Ca 0.13 -0.02 0.04 0.00 -1.56 0.00 0.00 55.97 54.57 2daq s LYS 18 Cb -0.10 -3.67 0.01 0.00 -1.46 0.00 0.00 37.83 32.61 2daq s LYS 18 CO 0.03 -0.31 0.26 -0.51 0.16 0.00 0.00 175.35 174.99 2daq s LEU 19 N 2.07 2.64 0.33 5.43 1.43 -1.26 -5.05 118.68 124.26 2daq s LEU 19 Ca 0.15 -1.34 -0.29 0.00 -1.03 0.00 0.00 54.13 51.62 2daq s LEU 19 Cb -0.16 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 44.86 2daq s LEU 19 CO 0.10 -0.96 1.31 -0.83 0.23 0.00 0.00 176.35 176.20 2daq s GLY 20 N -4.12 2.97 0.51 -3.19 0.00 -1.26 -4.71 107.32 97.52 2daq s GLY 20 Ca 0.27 1.27 0.00 0.00 0.00 0.00 0.00 44.72 46.25 2daq s GLY 20 CO 0.16 1.93 0.00 0.70 0.00 0.00 0.00 173.10 175.89 2daq n ASN 21 N 0.86 -6.89 -4.68 1.64 3.02 -1.26 -4.67 115.26 103.28 2daq n ASN 21 Ca 0.00 1.44 -0.64 0.00 -0.03 0.00 0.00 54.58 55.35 2daq n ASN 21 Cb 0.42 -4.13 -0.10 0.00 -0.61 0.00 0.00 39.78 35.36 2daq n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2daq n TYR 22 N -3.03 1.76 0.00 3.10 4.11 -1.26 -4.83 117.16 117.01 2daq n TYR 22 Ca -0.03 0.95 0.00 0.00 -0.00 0.00 0.00 57.90 58.82 2daq n TYR 22 Cb 0.47 -2.29 0.00 0.00 -0.00 0.00 0.00 39.34 37.52 2daq n TYR 22 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2daq n ARG 23 N 4.78 0.00 -3.65 -3.48 0.63 -1.26 -5.09 116.66 108.60 2daq n ARG 23 Ca 0.33 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 57.14 2daq n ARG 23 Cb -0.01 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2daq n ARG 23 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2daq s TRP 24 N -2.00 -0.84 -0.00 -0.14 0.52 -1.26 -4.22 118.94 110.99 2daq s TRP 24 Ca 0.00 1.88 0.06 0.00 0.02 0.00 0.00 56.10 58.07 2daq s TRP 24 Cb 0.00 0.38 -0.02 0.00 -1.15 0.00 0.00 33.47 32.68 2daq s TRP 24 CO 0.00 -0.41 -0.20 -0.46 0.02 0.00 0.00 176.95 175.90 2daq s TRP 25 N 0.84 1.81 0.33 -1.98 -0.11 -1.01 -4.92 118.94 113.89 2daq s TRP 25 Ca -0.04 -0.35 -0.27 0.00 1.22 0.00 0.00 56.10 56.66 2daq s TRP 25 Cb -0.05 -1.14 -0.09 0.00 -1.50 0.00 0.00 33.47 30.69 2daq s TRP 25 CO -0.07 -0.00 1.07 -1.25 -4.62 0.00 0.00 176.95 172.08 2daq s PRO 26 N -0.63 4.43 0.18 5.86 0.04 -1.26 0.10 135.00 143.72 2daq s PRO 26 Ca 0.08 1.66 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 2daq s PRO 26 Cb -0.08 -2.90 0.05 0.00 0.04 0.00 0.00 34.50 31.61 2daq s PRO 26 CO -0.00 0.06 0.58 0.00 0.04 0.00 0.00 177.00 177.68 2daq s ALA 27 N -1.39 -1.32 -0.08 8.56 0.00 0.11 -3.20 121.76 124.45 2daq s ALA 27 Ca 0.50 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2daq s ALA 27 Cb -0.27 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.71 2daq s ALA 27 CO 0.34 -0.80 -0.13 -2.00 0.00 0.00 0.00 175.76 173.17 2daq s GLU 28 N -3.81 1.86 0.15 0.00 -6.30 -0.96 0.74 118.70 110.38 2daq s GLU 28 Ca 0.04 -0.46 -0.31 0.00 -2.50 0.00 0.00 54.97 51.74 2daq s GLU 28 Cb -0.01 -1.56 -0.10 0.00 0.00 0.00 0.00 34.13 32.45 2daq s GLU 28 CO -0.08 0.00 1.72 0.42 0.02 0.00 0.00 175.26 177.34 2daq s ILE 29 N 0.78 2.49 0.50 -3.70 1.01 0.18 -1.60 121.20 120.86 2daq s ILE 29 Ca -0.12 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.79 2daq s ILE 29 Cb -0.16 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2daq s ILE 29 CO 0.02 0.01 0.45 0.00 0.00 0.00 0.00 174.94 175.43 2daq s ASN 31 N -4.29 5.96 0.45 0.00 -0.87 -1.26 -4.14 114.94 110.79 2daq s ASN 31 Ca 0.43 0.03 0.28 0.00 -1.57 0.00 0.00 52.86 52.04 2daq s ASN 31 Cb -0.03 -1.69 0.88 0.00 -0.02 0.00 0.00 41.25 40.39 2daq s ASN 31 CO 0.26 0.06 1.79 1.55 -2.57 0.00 0.00 177.10 178.20 2daq h PRO 32 N 2.30 0.00 0.00 -0.60 0.13 -1.92 -2.52 132.00 129.38 2daq h PRO 32 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.66 0.00 -0.72 0.00 -0.23 0.00 0.00 178.00 177.71 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.99 -3.39 114.38 112.32 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 0.71 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 2daq h ARG 33 CO 0.00 0.00 -0.03 1.03 0.56 0.00 0.00 179.97 181.53 2daq h SER 34 N 0.00 0.00 -2.20 7.04 0.87 -1.89 -3.48 113.55 113.89 2daq h SER 34 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 2daq h SER 34 Cb 0.79 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.97 2daq h SER 34 CO 0.00 0.06 -1.53 1.33 -0.53 0.00 0.00 176.83 176.16 2daq n VAL 35 N -2.41 0.10 -2.14 2.23 0.24 -0.98 -4.89 118.33 110.48 2daq n VAL 35 Ca -0.00 -0.46 -0.33 0.00 -2.04 0.00 0.00 64.34 61.50 2daq n VAL 35 Cb 0.02 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.02 3.44 0.37 7.34 0.04 -1.26 -4.81 135.00 138.10 2daq s PRO 36 Ca 0.46 1.19 0.17 0.00 0.04 0.00 0.00 61.00 62.86 2daq s PRO 36 Cb -0.25 -2.05 1.12 0.00 0.04 0.00 0.00 34.50 33.36 2daq s PRO 36 CO 0.77 -0.71 1.69 -0.07 0.04 0.00 0.00 177.00 178.72 2daq h LEU 37 N 0.61 0.48 -0.85 -3.56 -0.00 -1.93 0.31 115.31 110.36 2daq h LEU 37 Ca -0.47 0.15 0.15 0.00 -0.00 0.00 0.00 57.88 57.71 2daq h LEU 37 Cb 1.22 0.10 -0.15 0.00 -0.00 0.00 0.00 40.66 41.82 2daq h LEU 37 CO 0.58 -0.07 -0.33 -1.13 -0.00 0.00 0.00 178.44 177.50 2daq h ASN 38 N 0.33 -1.18 0.44 -0.43 -1.24 -2.00 0.73 115.58 112.23 2daq h ASN 38 Ca 0.71 0.28 -0.02 0.00 0.71 0.00 0.00 56.30 57.97 2daq h ASN 38 Cb 1.74 0.65 0.00 0.00 0.73 0.00 0.00 38.32 41.44 2daq h ASN 38 CO -0.49 -0.29 -0.21 0.40 -1.29 0.00 0.00 177.43 175.54 2daq h ILE 39 N -0.05 0.40 -0.96 2.57 1.08 -0.76 -3.22 117.51 116.58 2daq h ILE 39 Ca 0.34 -0.52 0.14 0.00 -0.39 0.00 0.00 64.86 64.43 2daq h ILE 39 Cb 0.60 0.58 -0.15 0.00 -3.07 0.00 0.00 36.82 34.78 2daq h ILE 39 CO -0.88 0.07 -0.39 0.00 -0.69 0.00 0.00 178.15 176.26 2daq n GLN 40 N -5.21 -0.24 -0.44 2.37 6.02 -0.25 0.17 117.38 119.80 2daq n GLN 40 Ca -0.10 1.47 0.37 0.00 -0.01 0.00 0.00 57.00 58.74 2daq n GLN 40 Cb 0.30 -2.19 0.63 0.00 1.02 0.00 0.00 30.24 30.00 2daq n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2daq n GLY 41 N -1.44 -0.78 3.69 1.08 0.00 0.24 -4.40 105.19 103.58 2daq n GLY 41 Ca 0.09 0.71 -0.57 0.00 0.00 0.00 0.00 46.02 46.26 2daq n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2daq n LEU 42 N -4.60 2.25 -4.79 0.99 4.77 0.45 -4.90 117.00 111.16 2daq n LEU 42 Ca 0.38 1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 57.07 2daq n LEU 42 Cb 1.45 -1.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2daq n LEU 42 CO 0.16 -0.54 0.52 -1.59 -1.33 0.00 0.00 177.39 174.62 2daq s LYS 43 N 3.06 4.46 -0.00 3.23 -2.85 -1.26 -5.02 119.74 121.36 2daq s LYS 43 Ca 0.96 1.11 -0.02 0.00 -1.00 0.00 0.00 55.97 57.02 2daq s LYS 43 Cb -1.06 -2.95 0.01 0.00 -2.06 0.00 0.00 37.83 31.77 2daq s LYS 43 CO 0.63 0.40 0.10 1.58 0.10 0.00 0.00 175.35 178.16 2daq n HIS 44 N 0.87 -0.18 -2.18 1.78 -0.00 -1.26 -5.05 115.22 109.20 2daq n HIS 44 Ca -0.01 -0.06 -0.28 0.00 0.46 0.00 0.00 57.72 57.83 2daq n HIS 44 Cb 0.50 0.03 0.03 0.00 -0.12 0.00 0.00 29.99 30.43 2daq n HIS 44 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2daq s ASP 45 N -1.22 5.65 0.03 0.26 1.11 -1.26 -5.01 116.67 116.23 2daq s ASP 45 Ca 0.02 0.95 -0.22 0.00 0.18 0.00 0.00 52.55 53.48 2daq s ASP 45 Cb -0.00 -1.90 -0.12 0.00 1.07 0.00 0.00 42.92 41.97 2daq s ASP 45 CO -0.00 -1.11 1.31 0.25 1.18 0.00 0.00 175.17 176.80 2daq h LEU 46 N -0.33 -0.66 -0.63 1.23 5.85 -2.03 -3.21 115.31 115.53 2daq h LEU 46 Ca -0.45 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.35 2daq h LEU 46 Cb 1.25 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.37 2daq h LEU 46 CO 0.62 -0.47 -0.37 0.61 -0.34 0.00 0.00 178.44 178.49 2daq n GLY 47 N -1.34 -2.37 3.34 3.75 0.00 -1.26 -4.45 105.19 102.86 2daq n GLY 47 Ca -0.10 0.89 -0.54 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.48 -0.33 -4.35 1.61 8.00 -1.21 -4.90 116.55 110.88 2daq n ASP 48 Ca 0.01 1.11 -0.20 0.00 0.71 0.00 0.00 54.79 56.42 2daq n ASP 48 Cb 0.16 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.12 40.27 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 -0.26 1.81 0.22 1.24 -0.12 -1.13 -4.83 117.98 114.91 2daq s PHE 49 Ca 0.81 -0.51 -0.30 0.00 -0.05 0.00 0.00 56.93 56.88 2daq s PHE 49 Cb -1.13 -0.86 -0.09 0.00 -0.63 0.00 0.00 43.02 40.31 2daq s PHE 49 CO 0.55 0.39 1.10 -1.25 -0.05 0.00 0.00 175.22 175.95 2daq s PRO 50 N -3.30 4.62 0.01 1.99 0.04 -1.26 -2.71 135.00 134.40 2daq s PRO 50 Ca 0.21 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2daq s PRO 50 Cb -0.03 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2daq s PRO 50 CO 0.08 0.14 -0.05 0.14 0.04 0.00 0.00 177.00 177.35 2daq s VAL 51 N -0.66 0.40 -0.24 -0.36 -7.23 -0.45 0.75 120.40 112.61 2daq s VAL 51 Ca 0.47 -0.40 -0.10 0.00 -1.81 0.00 0.00 61.98 60.14 2daq s VAL 51 Cb -0.31 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.21 2daq s VAL 51 CO 0.37 -0.01 0.15 0.12 -0.31 0.00 0.00 175.10 175.42 2daq s PHE 52 N -0.40 3.27 -0.36 2.82 2.19 -0.63 -1.72 117.98 123.15 2daq s PHE 52 Ca -0.01 0.12 -0.22 0.00 0.33 0.00 0.00 56.93 57.16 2daq s PHE 52 Cb -0.04 -2.27 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 2daq s PHE 52 CO -0.00 -0.01 0.72 -0.06 1.83 0.00 0.00 175.22 177.69 2daq s PHE 53 N 1.19 3.14 0.93 10.12 0.40 0.02 -2.26 117.98 131.50 2daq s PHE 53 Ca 0.07 0.49 -0.10 0.00 -0.60 0.00 0.00 56.93 56.78 2daq s PHE 53 Cb -0.14 -3.27 0.15 0.00 0.51 0.00 0.00 43.02 40.27 2daq s PHE 53 CO 0.05 -0.67 1.13 1.19 0.70 0.00 0.00 175.22 177.62 2daq n PHE 54 N 6.24 0.76 0.00 0.36 3.72 -1.19 0.12 117.46 127.46 2daq n PHE 54 Ca 0.01 0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 2daq n PHE 54 Cb 0.48 -1.99 0.00 0.00 -0.94 0.00 0.00 39.48 37.04 2daq n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2daq n GLY 55 N 0.32 1.11 0.14 1.37 0.00 -1.26 -4.09 105.19 102.77 2daq n GLY 55 Ca 0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.92 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 0.68 -4.85 1.61 0.87 -1.90 -3.48 113.55 106.48 2daq h SER 56 Ca 0.00 -0.68 -0.05 0.00 -1.23 0.00 0.00 61.79 59.84 2daq h SER 56 Cb 0.00 -0.22 0.04 0.00 -0.44 0.00 0.00 62.40 61.78 2daq h SER 56 CO 0.00 1.51 -0.16 1.41 -0.53 0.00 0.00 176.83 179.07 2daq n HIS 57 N -3.67 -2.23 -3.80 2.24 -0.00 0.32 -5.04 115.22 103.04 2daq n HIS 57 Ca -0.12 0.83 -0.12 0.00 -0.00 0.00 0.00 57.72 58.31 2daq n HIS 57 Cb 1.02 -3.59 -0.11 0.00 -0.00 0.00 0.00 29.99 27.32 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 -2.90 -0.19 0.06 0.41 1.11 -1.19 -4.94 116.67 109.03 2daq s ASP 58 Ca 0.08 0.29 -0.04 0.00 0.18 0.00 0.00 52.55 53.06 2daq s ASP 58 Cb -0.01 0.41 -0.05 0.00 1.07 0.00 0.00 42.92 44.34 2daq s ASP 58 CO 0.58 -0.20 0.27 -0.31 1.18 0.00 0.00 175.17 176.69 2daq s TYR 59 N -0.40 3.53 0.01 4.23 2.02 -1.26 -0.80 117.35 124.67 2daq s TYR 59 Ca -0.05 0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.88 2daq s TYR 59 Cb -0.03 -1.90 0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2daq s TYR 59 CO 0.01 0.56 0.47 0.71 -1.57 0.00 0.00 175.55 175.73 2daq s TYR 60 N -1.46 -0.36 -0.34 2.71 2.02 -0.70 -4.94 117.35 114.27 2daq s TYR 60 Ca 0.33 0.50 -0.14 0.00 -0.37 0.00 0.00 57.07 57.39 2daq s TYR 60 Cb -0.13 0.25 -0.02 0.00 -0.40 0.00 0.00 41.96 41.67 2daq s TYR 60 CO 0.22 -0.54 0.31 -1.58 -1.57 0.00 0.00 175.55 172.39 2daq s TRP 61 N -1.85 3.22 -0.01 2.71 0.52 -1.26 -1.35 118.94 120.92 2daq s TRP 61 Ca -0.09 -0.07 0.01 0.00 0.02 0.00 0.00 56.10 55.97 2daq s TRP 61 Cb -0.02 -2.58 0.00 0.00 -1.15 0.00 0.00 33.47 29.72 2daq s TRP 61 CO 0.03 -0.39 -0.05 0.14 0.02 0.00 0.00 176.95 176.70 2daq s VAL 62 N 1.90 0.40 0.00 4.03 -7.23 -1.10 -4.92 120.40 113.47 2daq s VAL 62 Ca 0.09 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2daq s VAL 62 Cb -0.17 -0.37 0.00 0.00 0.56 0.00 0.00 36.38 36.40 2daq s VAL 62 CO 0.11 0.13 0.00 0.00 -0.31 0.00 0.00 175.10 175.03 2daq n HIS 63 N 3.22 -2.34 -4.13 2.82 1.44 -1.26 -2.85 115.22 112.13 2daq n HIS 63 Ca -0.16 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.30 2daq n HIS 63 Cb 0.56 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.61 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 -2.99 2.76 0.00 -1.40 -2.07 -1.26 -4.54 119.66 110.16 2daq s GLN 64 Ca 0.00 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 2daq s GLN 64 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 2daq s GLN 64 CO 0.00 0.46 0.00 0.41 -1.32 0.00 0.00 175.29 174.84 2daq n GLY 65 N -0.48 2.43 0.10 2.60 0.00 -1.26 -4.84 105.19 103.75 2daq n GLY 65 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2daq n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2daq h ARG 66 N 0.32 0.00 -5.83 1.61 2.47 -1.95 -3.45 114.38 107.56 2daq h ARG 66 Ca 0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 2daq h ARG 66 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.27 2daq h ARG 66 CO 0.00 0.00 -0.49 0.14 0.56 0.00 0.00 179.97 180.18 2daq s VAL 67 N -3.15 5.42 0.10 2.04 -7.23 -1.26 -3.75 120.40 112.58 2daq s VAL 67 Ca 0.08 -0.16 0.07 0.00 -1.81 0.00 0.00 61.98 60.15 2daq s VAL 67 Cb 0.12 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.47 2daq s VAL 67 CO 0.67 0.31 -0.08 -0.36 -0.31 0.00 0.00 175.10 175.32 2daq s PHE 68 N -1.34 2.79 -0.07 2.82 0.40 -1.10 -4.84 117.98 116.62 2daq s PHE 68 Ca 0.28 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.18 2daq s PHE 68 Cb -0.13 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 41.92 2daq s PHE 68 CO 0.20 0.44 1.23 -1.25 0.70 0.00 0.00 175.22 176.54 2daq s PRO 69 N -2.25 4.32 -0.33 0.24 0.04 -1.26 -0.31 135.00 135.45 2daq s PRO 69 Ca 0.22 1.69 -0.23 0.00 0.04 0.00 0.00 61.00 62.73 2daq s PRO 69 Cb -0.11 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2daq s PRO 69 CO 0.15 -0.51 0.78 -0.47 0.04 0.00 0.00 177.00 176.98 2daq s TYR 70 N 2.51 3.17 0.67 0.56 6.14 -1.15 -4.91 117.35 124.34 2daq s TYR 70 Ca 0.56 0.70 -0.06 0.00 0.64 0.00 0.00 57.07 58.91 2daq s TYR 70 Cb -0.25 -3.28 0.04 0.00 0.42 0.00 0.00 41.96 38.90 2daq s TYR 70 CO 0.21 -0.63 0.98 0.08 0.64 0.00 0.00 175.55 176.83 2daq s VAL 71 N 3.00 2.69 0.00 3.14 1.01 -1.26 -4.93 120.40 124.04 2daq s VAL 71 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2daq s VAL 71 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2daq s VAL 71 CO 0.14 -0.14 0.00 1.21 0.00 0.00 0.00 175.10 176.31 2daq n GLU 72 N -2.81 0.00 -1.44 2.72 0.00 -1.26 -4.86 120.64 112.98 2daq n GLU 72 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.82 2daq n GLU 72 Cb 0.60 -0.01 -0.04 0.00 0.00 0.00 0.00 31.44 31.98 2daq n GLU 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2daq n GLY 73 N 3.50 2.69 3.06 8.31 0.00 -1.26 -4.57 105.19 116.93 2daq n GLY 73 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 4.84 -0.86 0.27 1.61 -1.08 -1.26 -5.14 116.67 115.04 2daq s ASP 74 Ca 0.57 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.48 2daq s ASP 74 Cb 0.12 1.34 0.00 0.00 -1.46 0.00 0.00 42.92 42.92 2daq s ASP 74 CO 0.08 -0.13 0.00 0.29 0.52 0.00 0.00 175.17 175.93 2daq n LYS 75 N 4.70 -1.40 -3.15 4.34 5.02 -1.26 -4.92 118.16 121.48 2daq n LYS 75 Ca 0.08 0.93 0.05 0.00 -2.02 0.00 0.00 58.31 57.34 2daq n LYS 75 Cb 0.58 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2daq n LYS 75 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2daq s SER 76 N -4.50 -0.90 0.00 4.39 1.04 -1.26 -4.99 113.70 107.47 2daq s SER 76 Ca 0.00 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2daq s SER 76 Cb 0.00 1.63 0.00 0.00 0.10 0.00 0.00 66.02 67.75 2daq s SER 76 CO 0.00 -0.17 0.00 0.33 0.98 0.00 0.00 173.24 174.38 2daq n PHE 77 N 5.31 0.00 -2.70 5.02 7.35 -1.26 -5.00 117.46 126.18 2daq n PHE 77 Ca 0.04 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.64 2daq n PHE 77 Cb 0.55 0.00 0.04 0.00 0.35 0.00 0.00 39.48 40.42 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 -3.00 -1.97 -3.26 3.13 0.00 -1.26 -5.02 120.51 109.14 2daq n ALA 78 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.28 2daq n ALA 78 Cb 0.00 -3.55 -0.08 0.00 0.00 0.00 0.00 19.45 15.82 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 -2.46 0.38 0.00 0.00 1.02 -1.26 -4.96 120.64 113.36 2daq n GLU 79 Ca -0.04 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 2daq n GLU 79 Cb 0.57 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 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 2.41 -1.12 3.79 0.62 0.00 -1.26 -5.03 105.19 104.60 2daq n GLY 80 Ca 0.26 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 2daq n GLY 80 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2daq s GLN 81 N -1.86 4.25 0.81 1.61 1.11 -1.26 -5.07 119.66 119.26 2daq s GLN 81 Ca 0.00 0.75 -0.11 0.00 0.01 0.00 0.00 55.36 56.01 2daq s GLN 81 Cb 0.00 -3.27 0.08 0.00 -1.01 0.00 0.00 33.01 28.80 2daq s GLN 81 CO 0.00 0.55 1.09 -0.08 0.01 0.00 0.00 175.29 176.86 2daq s THR 82 N -0.82 3.09 0.11 -0.19 -1.32 -1.26 -4.99 115.64 110.27 2daq s THR 82 Ca 0.30 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 61.13 2daq s THR 82 Cb -0.19 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.77 2daq s THR 82 CO 0.19 -0.46 0.00 -0.24 -2.21 0.00 0.00 174.62 171.90 2daq n SER 83 N -3.51 -0.64 -3.53 8.08 2.88 -1.26 -5.14 113.62 110.50 2daq n SER 83 Ca 0.07 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2daq n SER 83 Cb 0.56 0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 64.76 2daq n SER 83 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2daq s ILE 84 N -1.29 -0.15 0.00 2.46 1.10 -1.26 -5.00 121.20 117.07 2daq s ILE 84 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2daq s ILE 84 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 2daq s ILE 84 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 174.94 169.63 2daq n ASN 85 N 4.03 0.00 -2.35 4.50 5.15 -1.26 -4.80 115.26 120.53 2daq n ASN 85 Ca -0.15 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 53.83 2daq n ASN 85 Cb 0.56 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.81 2daq n ASN 85 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2daq n LYS 86 N 0.00 -5.16 -0.11 1.20 4.76 -1.26 -4.87 118.16 112.72 2daq n LYS 86 Ca 0.00 3.75 -0.21 0.00 -2.87 0.00 0.00 58.31 58.98 2daq n LYS 86 Cb 0.00 -4.72 -0.09 0.00 -1.84 0.00 0.00 35.03 28.38 2daq n LYS 86 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2daq n THR 87 N 1.82 1.51 -0.23 -0.18 -1.04 -1.26 -3.80 114.28 111.10 2daq n THR 87 Ca -0.01 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.05 61.79 2daq n THR 87 Cb 0.02 -2.06 -0.07 0.00 -1.82 0.00 0.00 70.33 66.40 2daq n THR 87 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2daq h PHE 88 N -1.00 -1.53 -1.01 -1.42 3.57 -1.94 1.21 116.94 114.82 2daq h PHE 88 Ca -0.40 0.09 0.12 0.00 3.53 0.00 0.00 57.97 61.32 2daq h PHE 88 Cb 1.28 0.75 -0.09 0.00 2.79 0.00 0.00 35.95 40.69 2daq h PHE 88 CO -0.06 -0.44 0.63 -0.22 -2.23 0.00 0.00 178.31 176.00 2daq h LYS 89 N -0.23 0.97 -0.25 1.11 3.64 -1.93 1.53 116.57 121.40 2daq h LYS 89 Ca 0.15 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2daq h LYS 89 Cb 0.55 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2daq h LYS 89 CO -0.72 0.64 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.71 2daq h LYS 90 N 1.00 0.43 0.06 1.90 3.64 -0.13 -1.45 116.57 122.02 2daq h LYS 90 Ca 0.50 -0.13 -0.22 0.00 -1.27 0.00 0.00 60.65 59.53 2daq h LYS 90 Cb 0.49 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2daq h LYS 90 CO -0.27 0.60 -0.89 0.00 -2.27 0.00 0.00 179.45 176.63 2daq h ALA 91 N 1.42 0.03 -0.10 5.00 0.00 0.51 -2.86 119.26 123.27 2daq h ALA 91 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 54.91 54.35 2daq h ALA 91 Cb 0.54 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 2daq h ALA 91 CO 0.04 0.50 -0.26 -0.07 0.00 0.00 0.00 179.25 179.45 2daq h LEU 92 N 0.03 -0.79 0.28 0.00 3.38 0.22 0.23 115.31 118.66 2daq h LEU 92 Ca -0.13 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2daq h LEU 92 Cb 1.60 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 2daq h LEU 92 CO 0.17 -0.31 -0.39 -0.33 0.09 0.00 0.00 178.44 177.67 2daq h GLU 93 N -0.34 -0.68 -0.72 1.13 5.08 -1.36 -0.33 114.58 117.36 2daq h GLU 93 Ca 0.09 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 2daq h GLU 93 Cb 0.48 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 2daq h GLU 93 CO -0.29 -0.45 -0.30 0.93 -1.00 0.00 0.00 179.01 177.90 2daq h GLU 94 N -0.71 -0.08 -0.45 2.33 5.08 -1.25 0.37 114.58 119.88 2daq h GLU 94 Ca -0.03 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2daq h GLU 94 Cb 0.64 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 2daq h GLU 94 CO -0.11 -0.05 -0.19 0.00 -1.00 0.00 0.00 179.01 177.66 2daq h ALA 95 N 1.31 0.16 0.61 3.43 0.00 -0.14 0.23 119.26 124.86 2daq h ALA 95 Ca 0.30 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2daq h ALA 95 Cb 0.56 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2daq h ALA 95 CO -0.77 -0.53 -0.48 0.00 0.00 0.00 0.00 179.25 177.46 2daq h ALA 96 N 1.25 -1.15 -0.22 0.00 0.00 0.13 -1.25 119.26 118.01 2daq h ALA 96 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2daq h ALA 96 Cb 0.43 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2daq h ALA 96 CO -0.51 -1.18 -0.13 0.87 0.00 0.00 0.00 179.25 178.30 2daq h LYS 97 N -1.06 -0.00 -0.81 0.00 1.57 0.34 0.10 116.57 116.71 2daq h LYS 97 Ca -0.08 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2daq h LYS 97 Cb 0.89 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.10 2daq h LYS 97 CO 0.01 -0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 178.37 2daq h ARG 98 N -0.00 -0.05 -1.20 3.15 2.47 -0.89 1.23 114.38 119.10 2daq h ARG 98 Ca 0.04 0.00 0.37 0.00 -1.26 0.00 0.00 59.98 59.13 2daq h ARG 98 Cb 0.09 0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.30 2daq h ARG 98 CO -0.21 -0.03 0.76 0.35 0.56 0.00 0.00 179.97 181.40 2daq h PHE 99 N -0.05 0.61 0.06 3.04 3.04 0.17 1.67 116.94 125.48 2daq h PHE 99 Ca 0.13 0.02 -0.24 0.00 3.98 0.00 0.00 57.97 61.87 2daq h PHE 99 Cb 0.38 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2daq h PHE 99 CO -0.98 -0.14 -1.09 1.96 -2.02 0.00 0.00 178.31 176.04 2daq h GLN 100 N 0.19 0.16 0.18 1.11 1.08 0.36 -2.94 115.11 115.24 2daq h GLN 100 Ca 0.75 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.69 2daq h GLN 100 Cb 2.17 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 29.69 2daq h GLN 100 CO -0.41 1.10 -0.09 0.93 -0.95 0.00 0.00 178.83 179.41 2daq h GLU 101 N 0.05 -0.23 -0.28 1.46 5.08 0.76 0.37 114.58 121.80 2daq h GLU 101 Ca -0.07 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2daq h GLU 101 Cb 1.82 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 31.05 2daq h GLU 101 CO 0.17 0.18 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.95 2daq h LEU 102 N -0.86 -1.09 -0.25 1.33 -0.00 0.72 0.27 115.31 115.42 2daq h LEU 102 Ca -0.02 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 2daq h LEU 102 Cb 0.52 0.49 -0.01 0.00 -0.00 0.00 0.00 40.66 41.65 2daq h LEU 102 CO 0.04 -0.35 0.10 0.07 -0.00 0.00 0.00 178.44 178.30 2daq h LYS 103 N -0.33 0.38 -0.70 1.13 2.10 -1.60 -2.84 116.57 114.71 2daq h LYS 103 Ca 0.13 -0.07 0.13 0.00 -2.00 0.00 0.00 60.65 58.85 2daq h LYS 103 Cb 0.55 -0.06 -0.13 0.00 -0.90 0.00 0.00 32.23 31.69 2daq h LYS 103 CO -0.46 0.42 -0.26 0.00 -2.00 0.00 0.00 179.45 177.15 2daq h ALA 104 N 0.94 0.25 -1.60 0.07 0.00 0.10 -3.22 119.26 115.81 2daq h ALA 104 Ca 0.08 0.24 -0.63 0.00 0.00 0.00 0.00 54.91 54.61 2daq h ALA 104 Cb 0.18 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 18.52 2daq h ALA 104 CO -0.01 -0.53 0.81 -1.12 0.00 0.00 0.00 179.25 178.40 2daq s SER 105 N -5.22 6.31 0.00 0.00 0.01 0.84 -4.81 113.70 110.83 2daq s SER 105 Ca -0.14 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2daq s SER 105 Cb 0.19 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2daq s SER 105 CO 0.72 -1.43 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2daq n GLY 106 N 5.57 -0.61 3.57 3.44 0.00 -1.22 -4.84 105.19 111.10 2daq n GLY 106 Ca 0.08 -1.53 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.91 3.15 -0.26 1.61 0.04 -1.26 -4.84 135.00 131.53 2daq s PRO 107 Ca 0.00 -1.04 -0.03 0.00 0.04 0.00 0.00 61.00 59.98 2daq s PRO 107 Cb 0.00 -5.28 0.15 0.00 0.04 0.00 0.00 34.50 29.40 2daq s PRO 107 CO 0.00 -2.90 0.44 0.45 0.04 0.00 0.00 177.00 175.03 2daq s SER 108 N 6.05 -0.20 -0.40 6.66 0.15 -1.26 -5.10 113.70 119.60 2daq s SER 108 Ca 0.59 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.69 2daq s SER 108 Cb -0.01 1.40 0.13 0.00 -1.71 0.00 0.00 66.02 65.83 2daq s SER 108 CO 0.00 -0.29 0.22 -0.94 1.20 0.00 0.00 173.24 173.43 2daq s SER 109 N 2.63 3.51 0.00 5.45 1.04 -1.26 -4.97 113.70 120.10 2daq s SER 109 Ca 0.14 -2.41 0.00 0.00 0.48 0.00 0.00 55.95 54.16 2daq s SER 109 Cb -0.15 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.12 2daq s SER 109 CO -0.17 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.37