#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 7.03 0.49 1.61 0.15 -1.26 -5.04 113.70 116.69 2daq s SER 2 Ca 0.00 -3.41 -0.23 0.00 0.70 0.00 0.00 55.95 53.01 2daq s SER 2 Cb 0.00 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 62.07 2daq s SER 2 CO 0.00 -0.34 1.28 -0.44 1.20 0.00 0.00 173.24 174.95 2daq s SER 3 N 1.33 5.77 0.00 5.45 0.01 -1.26 -4.80 113.70 120.20 2daq s SER 3 Ca 0.27 2.58 0.00 0.00 1.31 0.00 0.00 55.95 60.12 2daq s SER 3 Cb -0.10 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2daq s SER 3 CO -0.09 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 172.96 2daq n GLY 4 N 0.61 -1.12 3.59 3.44 0.00 -1.26 -5.05 105.19 105.40 2daq n GLY 4 Ca 0.08 -2.12 -0.02 0.00 0.00 0.00 0.00 46.02 43.96 2daq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2daq s SER 5 N -4.00 -0.63 -0.31 1.61 1.04 -1.26 -5.13 113.70 105.02 2daq s SER 5 Ca 0.00 0.96 -0.00 0.00 0.48 0.00 0.00 55.95 57.39 2daq s SER 5 Cb 0.00 1.40 0.14 0.00 0.10 0.00 0.00 66.02 67.65 2daq s SER 5 CO 0.00 -0.15 0.28 -0.44 0.98 0.00 0.00 173.24 173.92 2daq s SER 6 N 1.72 1.92 0.00 7.02 0.01 -1.26 -5.04 113.70 118.06 2daq s SER 6 Ca -0.08 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2daq s SER 6 Cb -0.05 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2daq s SER 6 CO -0.16 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2daq n GLY 7 N 4.98 0.43 3.61 3.44 0.00 -1.26 -5.09 105.19 111.29 2daq n GLY 7 Ca 0.01 -1.47 -0.61 0.00 0.00 0.00 0.00 46.02 43.95 2daq n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2daq n LYS 8 N 0.00 0.18 -1.09 1.61 5.02 -1.26 -4.89 118.16 117.73 2daq n LYS 8 Ca 0.00 0.07 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2daq n LYS 8 Cb 0.00 -1.59 0.21 0.00 -0.02 0.00 0.00 35.03 33.63 2daq n LYS 8 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2daq s LEU 9 N 1.31 1.06 0.02 -0.35 1.43 -1.26 -5.08 118.68 115.82 2daq s LEU 9 Ca 0.96 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.95 2daq s LEU 9 Cb -1.31 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.04 2daq s LEU 9 CO 0.65 -3.70 0.03 -1.00 0.23 0.00 0.00 176.35 172.56 2daq s HIS 10 N -2.95 0.19 1.12 0.29 3.76 -1.26 -5.15 115.29 111.28 2daq s HIS 10 Ca 0.68 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 55.00 2daq s HIS 10 Cb -0.15 -0.15 0.12 0.00 1.11 0.00 0.00 32.58 33.52 2daq s HIS 10 CO 0.57 -0.24 0.05 0.66 -0.85 0.00 0.00 174.74 174.93 2daq n TYR 11 N 1.46 -1.65 -3.97 1.40 4.01 -1.26 -3.66 117.16 113.48 2daq n TYR 11 Ca -0.23 0.09 -0.39 0.00 -0.16 0.00 0.00 57.90 57.21 2daq n TYR 11 Cb 0.56 -1.51 0.01 0.00 -0.31 0.00 0.00 39.34 38.08 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 -2.08 -0.71 -3.70 -0.72 5.02 0.13 -4.92 118.16 111.19 2daq n LYS 12 Ca 0.02 0.32 -0.12 0.00 -2.02 0.00 0.00 58.31 56.51 2daq n LYS 12 Cb 0.58 -2.47 -0.13 0.00 -0.02 0.00 0.00 35.03 32.99 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 -6.54 0.21 -0.10 1.97 0.74 -1.20 -4.95 119.66 109.79 2daq s GLN 13 Ca 0.32 0.66 -0.30 0.00 0.05 0.00 0.00 55.36 56.10 2daq s GLN 13 Cb -0.18 -0.06 -0.02 0.00 1.10 0.00 0.00 33.01 33.86 2daq s GLN 13 CO 0.94 -0.21 1.13 0.42 -0.55 0.00 0.00 175.29 177.02 2daq s ILE 14 N 1.78 4.47 0.16 -2.34 -1.09 -1.26 -0.36 121.20 122.56 2daq s ILE 14 Ca -0.05 1.77 -0.06 0.00 -2.23 0.00 0.00 60.65 60.08 2daq s ILE 14 Cb -0.11 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 2daq s ILE 14 CO -0.09 -0.03 0.21 0.68 -1.23 0.00 0.00 174.94 174.49 2daq s VAL 15 N 2.34 0.06 0.32 2.92 -7.23 0.28 -2.90 120.40 116.19 2daq s VAL 15 Ca 0.52 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 2daq s VAL 15 Cb -0.21 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2daq s VAL 15 CO 0.19 -0.29 0.58 0.26 -0.31 0.00 0.00 175.10 175.52 2daq s TRP 16 N -4.02 3.49 0.04 2.82 0.52 0.58 -0.58 118.94 121.79 2daq s TRP 16 Ca 0.22 0.58 0.07 0.00 0.02 0.00 0.00 56.10 57.00 2daq s TRP 16 Cb 0.05 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.26 2daq s TRP 16 CO 0.03 0.11 -0.19 0.54 0.02 0.00 0.00 176.95 177.46 2daq s VAL 17 N -2.21 2.70 -0.25 4.03 0.11 0.10 -2.75 120.40 122.13 2daq s VAL 17 Ca 0.43 -1.19 -0.13 0.00 -2.93 0.00 0.00 61.98 58.16 2daq s VAL 17 Cb -0.10 -2.12 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 2daq s VAL 17 CO 0.33 0.36 0.30 -0.75 -3.33 0.00 0.00 175.10 172.01 2daq s LYS 18 N -1.35 4.05 -0.49 1.54 2.20 -1.24 -2.78 119.74 121.67 2daq s LYS 18 Ca 0.14 -0.07 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 2daq s LYS 18 Cb -0.10 -3.61 0.12 0.00 -1.51 0.00 0.00 37.83 32.73 2daq s LYS 18 CO 0.04 -0.13 0.22 -0.51 -0.36 0.00 0.00 175.35 174.61 2daq s LEU 19 N 1.63 4.43 0.00 5.43 1.43 -1.25 -5.03 118.68 125.31 2daq s LEU 19 Ca 0.13 -2.84 0.00 0.00 -1.03 0.00 0.00 54.13 50.39 2daq s LEU 19 Cb -0.15 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2daq s LEU 19 CO 0.09 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.01 2daq n GLY 20 N 3.35 2.53 2.84 -3.19 0.00 -1.26 -4.00 105.19 105.45 2daq n GLY 20 Ca 0.05 0.35 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2daq n GLY 20 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2daq s ASN 21 N -4.00 1.01 0.01 1.61 3.84 -1.26 -4.97 114.94 111.18 2daq s ASN 21 Ca 0.00 -0.58 0.00 0.00 0.21 0.00 0.00 52.86 52.49 2daq s ASN 21 Cb 0.00 0.81 0.00 0.00 -0.55 0.00 0.00 41.25 41.51 2daq s ASN 21 CO 0.00 -0.37 0.00 0.00 -2.79 0.00 0.00 177.10 173.94 2daq n TYR 22 N 5.31 -1.41 -3.97 0.43 9.36 -1.26 -5.16 117.16 120.46 2daq n TYR 22 Ca -0.00 0.05 -0.10 0.00 3.32 0.00 0.00 57.90 61.17 2daq n TYR 22 Cb 0.48 0.38 -0.07 0.00 -0.63 0.00 0.00 39.34 39.50 2daq n TYR 22 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2daq s ARG 23 N -1.51 1.24 0.32 2.98 1.81 -1.26 -5.15 118.95 117.38 2daq s ARG 23 Ca 0.00 -1.21 0.08 0.00 -1.72 0.00 0.00 55.73 52.89 2daq s ARG 23 Cb 0.00 0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 34.85 2daq s ARG 23 CO 0.00 -0.46 0.17 -1.58 -0.68 0.00 0.00 175.30 172.74 2daq s TRP 24 N -3.99 2.79 0.01 -0.53 0.52 -1.26 -3.97 118.94 112.51 2daq s TRP 24 Ca 0.19 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.01 2daq s TRP 24 Cb 0.03 -1.61 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 2daq s TRP 24 CO 0.02 0.35 -0.06 -0.46 0.02 0.00 0.00 176.95 176.82 2daq s TRP 25 N -2.36 0.50 0.33 -1.98 -0.11 -1.12 -4.96 118.94 109.25 2daq s TRP 25 Ca 0.37 -0.18 -0.27 0.00 1.22 0.00 0.00 56.10 57.24 2daq s TRP 25 Cb -0.04 -0.31 -0.09 0.00 -1.50 0.00 0.00 33.47 31.52 2daq s TRP 25 CO 0.24 -0.03 1.07 -1.25 -4.62 0.00 0.00 176.95 172.36 2daq s PRO 26 N -0.45 4.42 0.16 5.86 0.04 -1.26 0.01 135.00 143.77 2daq s PRO 26 Ca -0.01 1.66 -0.23 0.00 0.04 0.00 0.00 61.00 62.46 2daq s PRO 26 Cb -0.04 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.68 2daq s PRO 26 CO -0.00 0.06 0.63 0.00 0.04 0.00 0.00 177.00 177.72 2daq s ALA 27 N -1.39 -1.59 -0.07 8.56 0.00 0.26 -3.15 121.76 124.38 2daq s ALA 27 Ca 0.51 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.95 2daq s ALA 27 Cb -0.27 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.72 2daq s ALA 27 CO 0.34 -0.79 -0.13 -2.00 0.00 0.00 0.00 175.76 173.19 2daq s GLU 28 N -3.72 1.80 0.12 0.00 -6.30 -1.03 0.98 118.70 110.54 2daq s GLU 28 Ca 0.02 -0.45 -0.31 0.00 -2.50 0.00 0.00 54.97 51.73 2daq s GLU 28 Cb -0.01 -1.47 -0.09 0.00 0.00 0.00 0.00 34.13 32.55 2daq s GLU 28 CO -0.11 0.04 1.66 0.42 0.02 0.00 0.00 175.26 177.29 2daq s ILE 29 N 0.63 2.76 0.49 -3.70 1.01 0.52 -1.97 121.20 120.94 2daq s ILE 29 Ca -0.15 0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.93 2daq s ILE 29 Cb -0.16 -3.24 -0.00 0.00 0.01 0.00 0.00 42.46 39.07 2daq s ILE 29 CO 0.04 0.01 0.26 0.00 0.00 0.00 0.00 174.94 175.25 2daq s ASN 31 N -4.09 6.34 0.43 0.00 -0.87 -1.26 -4.12 114.94 111.38 2daq s ASN 31 Ca 0.32 0.29 0.28 0.00 -1.57 0.00 0.00 52.86 52.18 2daq s ASN 31 Cb 0.00 -1.96 0.87 0.00 -0.02 0.00 0.00 41.25 40.14 2daq s ASN 31 CO 0.19 -0.10 1.79 1.55 -2.57 0.00 0.00 177.10 177.95 2daq h PRO 32 N 1.48 0.00 0.00 -0.60 0.13 -1.93 -2.62 132.00 128.45 2daq h PRO 32 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2daq h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2daq h PRO 32 CO 0.64 0.00 -0.68 0.00 -0.23 0.00 0.00 178.00 177.73 2daq h ARG 33 N 0.00 0.00 0.00 0.86 2.47 -1.97 -3.39 114.38 112.36 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 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2daq h ARG 33 CO 0.00 0.00 -0.05 1.03 0.56 0.00 0.00 179.97 181.51 2daq h SER 34 N 0.00 0.00 -2.04 7.04 0.87 -1.78 -3.46 113.55 114.17 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 0.96 0.00 0.23 0.00 -0.44 0.00 0.00 62.40 63.14 2daq h SER 34 CO 0.00 0.21 -1.67 1.33 -0.53 0.00 0.00 176.83 176.17 2daq n VAL 35 N -3.06 0.02 -2.30 2.23 0.24 -1.02 -4.88 118.33 109.57 2daq n VAL 35 Ca -0.01 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.34 61.47 2daq n VAL 35 Cb 0.03 -0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 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 -1.83 3.58 0.47 7.34 0.04 -1.26 -4.81 135.00 138.53 2daq s PRO 36 Ca 0.44 1.26 0.29 0.00 0.04 0.00 0.00 61.00 63.03 2daq s PRO 36 Cb -0.25 -2.07 1.36 0.00 0.04 0.00 0.00 34.50 33.58 2daq s PRO 36 CO 0.79 -0.60 1.77 -0.07 0.04 0.00 0.00 177.00 178.92 2daq h LEU 37 N 0.98 0.21 -0.74 -3.56 -0.00 -1.93 0.48 115.31 110.75 2daq h LEU 37 Ca -0.48 0.05 0.17 0.00 -0.00 0.00 0.00 57.88 57.62 2daq h LEU 37 Cb 1.22 0.02 -0.12 0.00 -0.00 0.00 0.00 40.66 41.77 2daq h LEU 37 CO 0.58 0.02 0.09 -1.13 -0.00 0.00 0.00 178.44 178.00 2daq h ASN 38 N 0.17 -0.17 0.04 -0.43 -0.73 -1.99 1.02 115.58 113.48 2daq h ASN 38 Ca 0.61 0.17 -0.00 0.00 1.87 0.00 0.00 56.30 58.95 2daq h ASN 38 Cb 2.02 0.27 0.00 0.00 0.27 0.00 0.00 38.32 40.88 2daq h ASN 38 CO -0.17 -0.12 -0.02 0.40 -0.37 0.00 0.00 177.43 177.16 2daq h ILE 39 N 0.17 1.37 -1.13 2.57 1.08 -0.41 -3.19 117.51 117.98 2daq h ILE 39 Ca 0.42 -1.62 0.32 0.00 -0.39 0.00 0.00 64.86 63.58 2daq h ILE 39 Cb 0.73 2.40 -0.07 0.00 -3.07 0.00 0.00 36.82 36.81 2daq h ILE 39 CO -0.59 0.39 0.78 1.56 -0.69 0.00 0.00 178.15 179.60 2daq h GLN 40 N -0.80 0.15 0.00 2.37 4.20 -0.55 1.41 115.11 121.90 2daq h GLN 40 Ca -0.01 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 2daq h GLN 40 Cb 0.68 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2daq h GLN 40 CO 0.01 0.10 -0.01 0.78 -0.67 0.00 0.00 178.83 179.04 2daq h GLY 41 N 0.16 0.00 -4.09 3.46 0.00 0.11 -3.42 103.07 99.28 2daq h GLY 41 Ca 0.58 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.39 2daq h GLY 41 CO -0.14 0.00 0.68 1.08 0.00 0.00 0.00 176.54 178.16 2daq s LEU 42 N -6.80 4.41 -0.24 3.11 1.43 0.48 -4.98 118.68 116.10 2daq s LEU 42 Ca -0.04 2.60 -0.15 0.00 -1.03 0.00 0.00 54.13 55.51 2daq s LEU 42 Cb 0.13 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2daq s LEU 42 CO 0.48 -0.58 0.36 -0.75 0.23 0.00 0.00 176.35 176.09 2daq s LYS 43 N -0.87 4.09 0.00 1.70 2.20 -1.26 -5.06 119.74 120.53 2daq s LYS 43 Ca 0.54 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 2daq s LYS 43 Cb -0.39 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 2daq s LYS 43 CO 0.46 -0.14 0.00 -2.39 -0.36 0.00 0.00 175.35 172.92 2daq n HIS 44 N 4.84 -1.51 0.00 4.03 1.44 -1.26 -5.09 115.22 117.67 2daq n HIS 44 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2daq n HIS 44 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 -1.54 0.00 -3.14 4.39 9.92 -1.26 -5.09 116.55 119.84 2daq n ASP 45 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 2daq n ASP 45 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2daq n ASP 45 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2daq s LEU 46 N -0.99 -1.28 0.00 0.64 1.43 -1.26 -5.00 118.68 112.23 2daq s LEU 46 Ca 0.00 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2daq s LEU 46 Cb 0.00 1.76 0.00 0.00 0.03 0.00 0.00 46.19 47.98 2daq s LEU 46 CO 0.00 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.98 2daq n GLY 47 N 5.08 2.58 2.80 -3.19 0.00 -1.26 -4.95 105.19 106.24 2daq n GLY 47 Ca 0.07 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 -0.72 -4.42 1.61 9.92 -1.26 -4.69 116.55 116.99 2daq n ASP 48 Ca 0.00 0.93 -0.21 0.00 -0.53 0.00 0.00 54.79 54.98 2daq n ASP 48 Cb 0.00 -0.77 -0.10 0.00 -0.64 0.00 0.00 41.12 39.61 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 -0.57 1.93 -0.09 1.24 -0.12 -1.17 -4.80 117.98 114.40 2daq s PHE 49 Ca 0.59 -0.72 -0.30 0.00 -0.05 0.00 0.00 56.93 56.45 2daq s PHE 49 Cb -0.84 -1.11 -0.03 0.00 -0.63 0.00 0.00 43.02 40.41 2daq s PHE 49 CO 0.46 0.25 1.24 -1.25 -0.05 0.00 0.00 175.22 175.86 2daq s PRO 50 N -3.74 4.31 0.30 1.99 0.04 -1.26 -3.78 135.00 132.86 2daq s PRO 50 Ca 0.30 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2daq s PRO 50 Cb 0.04 -3.63 -0.06 0.00 0.04 0.00 0.00 34.50 30.89 2daq s PRO 50 CO 0.12 -0.54 0.06 0.14 0.04 0.00 0.00 177.00 176.82 2daq s VAL 51 N 2.64 1.04 -0.12 -0.36 -7.23 -1.22 0.82 120.40 115.99 2daq s VAL 51 Ca 0.56 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 2daq s VAL 51 Cb -0.24 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.01 2daq s VAL 51 CO 0.20 -0.04 -0.12 0.12 -0.31 0.00 0.00 175.10 174.95 2daq s PHE 52 N -3.41 1.82 -0.51 2.82 5.36 -0.83 -3.24 117.98 120.00 2daq s PHE 52 Ca 0.36 -0.92 -0.22 0.00 -0.96 0.00 0.00 56.93 55.19 2daq s PHE 52 Cb 0.08 -1.38 0.04 0.00 -0.34 0.00 0.00 43.02 41.43 2daq s PHE 52 CO 0.14 -0.52 0.78 -0.06 -1.46 0.00 0.00 175.22 174.10 2daq s PHE 53 N 1.32 2.94 1.10 10.12 0.40 -0.53 -2.48 117.98 130.86 2daq s PHE 53 Ca -0.00 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 2daq s PHE 53 Cb -0.14 -3.76 0.16 0.00 0.51 0.00 0.00 43.02 39.79 2daq s PHE 53 CO -0.06 -1.14 0.47 1.19 0.70 0.00 0.00 175.22 176.38 2daq n PHE 54 N 6.80 -1.21 0.00 0.36 3.72 -1.19 0.34 117.46 126.28 2daq n PHE 54 Ca -0.01 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 2daq n PHE 54 Cb 0.47 -1.67 0.00 0.00 -0.94 0.00 0.00 39.48 37.34 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 1.50 1.43 0.09 1.37 0.00 -1.26 -4.06 105.19 104.26 2daq n GLY 55 Ca 0.03 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 0.19 -2.97 1.61 4.64 -1.92 -3.47 113.55 111.63 2daq h SER 56 Ca 0.00 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 60.36 2daq h SER 56 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2daq h SER 56 CO 0.00 1.19 0.00 1.41 -0.87 0.00 0.00 176.83 178.56 2daq n HIS 57 N -4.39 0.00 -3.78 4.77 -0.00 0.15 -5.08 115.22 106.89 2daq n HIS 57 Ca -0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.47 2daq n HIS 57 Cb 0.63 -1.65 -0.11 0.00 -0.00 0.00 0.00 29.99 28.87 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 -2.17 -0.25 0.12 0.41 1.01 -1.21 -4.95 116.67 109.63 2daq s ASP 58 Ca 0.00 0.40 -0.03 0.00 0.71 0.00 0.00 52.55 53.63 2daq s ASP 58 Cb 0.00 0.49 -0.05 0.00 1.01 0.00 0.00 42.92 44.37 2daq s ASP 58 CO 0.00 -0.20 0.32 -0.31 0.21 0.00 0.00 175.17 175.19 2daq s TYR 59 N -0.29 3.49 -0.04 4.23 2.02 -1.26 -1.45 117.35 124.05 2daq s TYR 59 Ca -0.04 0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.89 2daq s TYR 59 Cb -0.03 -1.91 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2daq s TYR 59 CO 0.01 0.49 0.47 0.71 -1.57 0.00 0.00 175.55 175.65 2daq s TYR 60 N -1.61 -0.39 -0.42 2.71 2.02 -1.20 -4.99 117.35 113.47 2daq s TYR 60 Ca 0.39 0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 57.59 2daq s TYR 60 Cb -0.12 0.22 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 2daq s TYR 60 CO 0.26 -0.47 0.40 -1.58 -1.57 0.00 0.00 175.55 172.59 2daq s TRP 61 N -1.18 3.19 -0.06 2.71 0.52 -1.26 -3.36 118.94 119.49 2daq s TRP 61 Ca -0.12 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.58 2daq s TRP 61 Cb -0.03 -2.83 0.01 0.00 -1.15 0.00 0.00 33.47 29.48 2daq s TRP 61 CO 0.06 -0.68 -0.11 0.14 0.02 0.00 0.00 176.95 176.38 2daq s VAL 62 N 2.01 1.06 1.00 4.03 -7.23 -1.25 -4.92 120.40 115.11 2daq s VAL 62 Ca 0.10 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.71 2daq s VAL 62 Cb -0.18 -0.98 0.19 0.00 0.56 0.00 0.00 36.38 35.96 2daq s VAL 62 CO 0.12 0.34 0.39 1.57 -0.31 0.00 0.00 175.10 177.22 2daq n HIS 63 N 3.89 -2.48 -4.35 2.82 -0.00 -1.26 -3.04 115.22 110.79 2daq n HIS 63 Ca -0.23 -0.05 -0.35 0.00 0.46 0.00 0.00 57.72 57.55 2daq n HIS 63 Cb 0.52 -1.37 -0.09 0.00 -0.12 0.00 0.00 29.99 28.92 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 -3.52 3.02 0.00 1.57 -2.07 -1.26 -4.50 119.66 112.89 2daq s GLN 64 Ca 0.35 -0.40 0.00 0.00 -1.82 0.00 0.00 55.36 53.49 2daq s GLN 64 Cb -0.06 -2.81 0.00 0.00 -1.09 0.00 0.00 33.01 29.05 2daq s GLN 64 CO 0.30 0.69 0.00 0.41 -1.32 0.00 0.00 175.29 175.38 2daq n GLY 65 N 2.17 1.14 0.12 2.60 0.00 -1.26 -4.94 105.19 105.02 2daq n GLY 65 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.19 -3.93 1.61 1.74 -1.26 -4.97 116.66 112.04 2daq n ARG 66 Ca 0.00 -0.28 -0.30 0.00 -0.77 0.00 0.00 57.85 56.50 2daq n ARG 66 Cb 0.00 -1.18 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 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 -2.10 5.33 0.15 1.55 -7.23 -1.26 -3.58 120.40 113.25 2daq s VAL 67 Ca 0.08 -0.47 0.11 0.00 -1.81 0.00 0.00 61.98 59.89 2daq s VAL 67 Cb 0.11 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 2daq s VAL 67 CO 0.49 0.09 -0.25 -0.36 -0.31 0.00 0.00 175.10 174.76 2daq s PHE 68 N -1.55 2.24 -0.05 2.82 0.40 -1.11 -4.86 117.98 115.87 2daq s PHE 68 Ca 0.35 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 56.00 2daq s PHE 68 Cb -0.13 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 2daq s PHE 68 CO 0.28 0.37 1.22 -1.25 0.70 0.00 0.00 175.22 176.54 2daq s PRO 69 N -2.25 4.34 -0.28 0.24 0.04 -1.26 -0.31 135.00 135.53 2daq s PRO 69 Ca 0.15 1.70 -0.28 0.00 0.04 0.00 0.00 61.00 62.61 2daq s PRO 69 Cb -0.09 -3.56 0.01 0.00 0.04 0.00 0.00 34.50 30.89 2daq s PRO 69 CO 0.07 -0.47 1.00 -0.47 0.04 0.00 0.00 177.00 177.17 2daq s TYR 70 N 2.27 3.24 0.49 0.56 6.14 -1.14 -4.91 117.35 124.00 2daq s TYR 70 Ca 0.56 1.23 -0.06 0.00 0.64 0.00 0.00 57.07 59.44 2daq s TYR 70 Cb -0.25 -3.41 -0.04 0.00 0.42 0.00 0.00 41.96 38.68 2daq s TYR 70 CO 0.22 -0.60 0.81 0.08 0.64 0.00 0.00 175.55 176.70 2daq s VAL 71 N 3.31 4.87 -0.73 3.14 1.01 -1.26 -4.98 120.40 125.77 2daq s VAL 71 Ca 0.42 0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.76 2daq s VAL 71 Cb -0.14 -3.85 0.21 0.00 0.00 0.00 0.00 36.38 32.60 2daq s VAL 71 CO 0.11 -0.85 0.66 1.21 0.00 0.00 0.00 175.10 176.23 2daq n GLU 72 N -2.21 2.29 0.00 2.72 0.00 -1.26 -4.72 120.64 117.46 2daq n GLU 72 Ca 0.01 -4.56 0.00 0.00 0.00 0.00 0.00 57.16 52.61 2daq n GLU 72 Cb 0.55 -2.31 0.00 0.00 0.00 0.00 0.00 31.44 29.68 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 1.60 -0.08 3.62 8.31 0.00 -1.26 -5.10 105.19 112.28 2daq n GLY 73 Ca 0.24 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 5.76 0.11 1.61 -1.08 -1.26 -4.27 116.67 117.54 2daq s ASP 74 Ca 0.00 2.10 0.00 0.00 -0.52 0.00 0.00 52.55 54.13 2daq s ASP 74 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2daq s ASP 74 CO 0.00 -1.69 0.00 1.17 0.52 0.00 0.00 175.17 175.17 2daq n LYS 75 N 8.38 -2.73 -0.25 4.34 4.81 -1.26 -4.80 118.16 126.66 2daq n LYS 75 Ca 0.27 2.18 -0.07 0.00 -0.87 0.00 0.00 58.31 59.82 2daq n LYS 75 Cb 0.44 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.35 2daq n LYS 75 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2daq h SER 76 N 2.08 -1.32 0.00 3.14 0.02 -1.97 -3.44 113.55 112.06 2daq h SER 76 Ca 0.00 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2daq h SER 76 Cb 0.00 0.58 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2daq h SER 76 CO 0.00 -0.15 0.00 2.22 -1.14 0.00 0.00 176.83 177.76 2daq n PHE 77 N -4.37 -0.10 0.00 3.45 -1.74 -1.26 -4.89 117.46 108.54 2daq n PHE 77 Ca 0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.90 2daq n PHE 77 Cb 0.16 0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.18 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 -1.12 0.04 -0.26 1.98 0.00 -1.26 -5.09 120.51 114.79 2daq n ALA 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2daq n ALA 78 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.00 0.00 -0.58 -1.26 -5.11 120.64 113.69 2daq n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2daq n GLU 79 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2daq n GLU 79 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2daq n GLY 80 N 2.95 1.58 2.82 0.62 0.00 -1.26 -5.05 105.19 106.84 2daq n GLY 80 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 3.31 0.13 -0.91 1.61 0.74 -1.26 -5.02 119.66 118.27 2daq s GLN 81 Ca 0.00 0.39 -0.00 0.00 0.05 0.00 0.00 55.36 55.80 2daq s GLN 81 Cb 0.00 -0.76 0.30 0.00 1.10 0.00 0.00 33.01 33.65 2daq s GLN 81 CO 0.00 -0.49 1.29 -2.37 -0.55 0.00 0.00 175.29 173.16 2daq n THR 82 N 5.33 4.45 0.00 -0.34 5.66 -1.26 -4.92 114.28 123.19 2daq n THR 82 Ca -0.05 -5.73 0.00 0.00 -3.05 0.00 0.00 64.05 55.22 2daq n THR 82 Cb 0.50 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.32 2daq n THR 82 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2daq n SER 83 N 0.86 0.00 -4.45 1.09 2.88 -1.26 -4.84 113.62 107.91 2daq n SER 83 Ca 0.30 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.34 2daq n SER 83 Cb 0.35 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 2daq n SER 83 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2daq n ILE 84 N 0.00 1.43 0.11 2.46 2.08 -1.26 -4.89 119.36 119.28 2daq n ILE 84 Ca 0.00 -0.36 -0.05 0.00 0.56 0.00 0.00 62.75 62.91 2daq n ILE 84 Cb 0.00 -0.11 -0.02 0.00 -0.75 0.00 0.00 39.64 38.76 2daq n ILE 84 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 2daq h ASN 85 N 1.71 -0.26 -4.09 4.38 -1.24 -2.01 -3.49 115.58 110.57 2daq h ASN 85 Ca -0.35 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.67 2daq h ASN 85 Cb 1.43 0.07 0.00 0.00 0.73 0.00 0.00 38.32 40.54 2daq h ASN 85 CO 0.60 -0.03 -0.46 0.29 -1.29 0.00 0.00 177.43 176.54 2daq n LYS 86 N -3.71 -2.44 -0.02 6.67 4.76 -1.26 -4.39 118.16 117.77 2daq n LYS 86 Ca -0.04 1.78 -0.12 0.00 -2.87 0.00 0.00 58.31 57.07 2daq n LYS 86 Cb 0.12 -1.98 -0.06 0.00 -1.84 0.00 0.00 35.03 31.27 2daq n LYS 86 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2daq h THR 87 N 1.20 1.16 -0.82 -0.18 2.02 -1.97 -2.67 112.91 111.66 2daq h THR 87 Ca 0.00 -0.50 0.15 0.00 0.77 0.00 0.00 66.41 66.83 2daq h THR 87 Cb 0.00 1.30 -0.15 0.00 -1.74 0.00 0.00 68.15 67.56 2daq h THR 87 CO 0.00 0.15 -0.31 0.15 0.37 0.00 0.00 175.52 175.88 2daq h PHE 88 N -0.01 -0.81 -0.83 3.16 3.57 -1.96 1.04 116.94 121.11 2daq h PHE 88 Ca 0.03 0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2daq h PHE 88 Cb 0.20 0.48 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 2daq h PHE 88 CO -0.01 -0.38 0.53 -0.22 -2.23 0.00 0.00 178.31 176.00 2daq h LYS 89 N -0.05 1.01 -0.26 1.11 3.64 -1.74 0.60 116.57 120.87 2daq h LYS 89 Ca 0.34 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2daq h LYS 89 Cb 0.59 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2daq h LYS 89 CO -0.86 0.67 0.14 -0.22 -2.27 0.00 0.00 179.45 176.91 2daq h LYS 90 N 1.04 0.37 -0.60 1.90 3.64 0.90 0.25 116.57 124.08 2daq h LYS 90 Ca 0.33 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 2daq h LYS 90 Cb 0.01 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2daq h LYS 90 CO -0.11 0.35 0.28 0.00 -2.27 0.00 0.00 179.45 177.69 2daq h ALA 91 N 1.01 0.78 0.23 5.00 0.00 0.15 -0.82 119.26 125.61 2daq h ALA 91 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2daq h ALA 91 Cb 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2daq h ALA 91 CO -0.01 0.36 -0.31 -0.07 0.00 0.00 0.00 179.25 179.21 2daq h LEU 92 N 0.83 -0.87 0.04 0.00 3.38 0.58 0.59 115.31 119.85 2daq h LEU 92 Ca 0.21 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.29 2daq h LEU 92 Cb 0.14 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 2daq h LEU 92 CO -0.02 -0.43 -0.37 -0.33 0.09 0.00 0.00 178.44 177.38 2daq h GLU 93 N -0.60 -0.53 -0.18 1.13 5.08 -0.75 -1.30 114.58 117.43 2daq h GLU 93 Ca 0.00 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2daq h GLU 93 Cb 0.58 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2daq h GLU 93 CO -0.12 -0.35 -0.22 0.93 -1.00 0.00 0.00 179.01 178.25 2daq h GLU 94 N -0.55 -0.25 -0.94 2.33 5.08 -0.87 0.21 114.58 119.59 2daq h GLU 94 Ca 0.05 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.70 2daq h GLU 94 Cb 0.62 0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.78 2daq h GLU 94 CO -0.27 -0.17 0.39 0.00 -1.00 0.00 0.00 179.01 177.96 2daq h ALA 95 N 0.76 1.59 0.98 3.43 0.00 0.72 0.12 119.26 126.85 2daq h ALA 95 Ca 0.12 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 2daq h ALA 95 Cb 0.43 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.48 2daq h ALA 95 CO -0.33 -0.52 -0.47 0.00 0.00 0.00 0.00 179.25 177.94 2daq h ALA 96 N 1.82 -1.31 -0.41 0.00 0.00 0.16 -2.34 119.26 117.18 2daq h ALA 96 Ca 0.64 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2daq h ALA 96 Cb 1.38 0.51 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2daq h ALA 96 CO -0.64 -1.22 -0.24 1.17 0.00 0.00 0.00 179.25 178.32 2daq n LYS 97 N -5.64 -0.18 -0.32 0.00 3.00 0.29 -0.89 118.16 114.42 2daq n LYS 97 Ca -0.16 1.20 -0.08 0.00 -0.00 0.00 0.00 58.31 59.27 2daq n LYS 97 Cb 0.52 -1.79 -0.08 0.00 0.00 0.00 0.00 35.03 33.68 2daq n LYS 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2daq n ARG 98 N -3.91 -0.34 -0.33 1.64 5.12 -0.47 0.15 116.66 118.52 2daq n ARG 98 Ca 0.01 1.32 0.24 0.00 -1.93 0.00 0.00 57.85 57.48 2daq n ARG 98 Cb 0.11 -1.94 0.47 0.00 -1.16 0.00 0.00 32.46 29.93 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 0.84 -0.02 -1.55 3.57 -0.44 1.66 116.94 121.00 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 0.31 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2daq h PHE 99 CO -0.94 -0.22 -0.76 1.96 -2.23 0.00 0.00 178.31 176.11 2daq h GLN 100 N 0.26 0.18 0.18 1.11 1.08 0.29 -3.08 115.11 115.14 2daq h GLN 100 Ca 0.73 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.76 2daq h GLN 100 Cb 1.69 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.16 2daq h GLN 100 CO -0.64 0.86 -0.09 0.93 -0.95 0.00 0.00 178.83 178.94 2daq h GLU 101 N 0.11 -0.24 -0.80 1.46 5.08 0.72 0.95 114.58 121.87 2daq h GLU 101 Ca -0.03 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.46 2daq h GLU 101 Cb 1.34 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.52 2daq h GLU 101 CO 0.11 0.17 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.79 2daq h LEU 102 N -0.87 -1.55 -1.03 1.33 4.07 0.74 1.03 115.31 119.03 2daq h LEU 102 Ca -0.02 0.28 -0.09 0.00 0.08 0.00 0.00 57.88 58.13 2daq h LEU 102 Cb 0.51 0.74 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 2daq h LEU 102 CO 0.04 -0.30 -0.28 0.07 -1.08 0.00 0.00 178.44 176.89 2daq h LYS 103 N -0.10 0.35 -3.07 1.13 2.10 -1.62 -3.24 116.57 112.11 2daq h LYS 103 Ca 0.24 -0.13 -0.79 0.00 -2.00 0.00 0.00 60.65 57.97 2daq h LYS 103 Cb 0.55 -0.02 -0.23 0.00 -0.90 0.00 0.00 32.23 31.63 2daq h LYS 103 CO -0.84 0.61 1.28 0.00 -2.00 0.00 0.00 179.45 178.50 2daq n ALA 104 N -2.48 5.35 -1.62 0.07 0.00 0.35 -4.87 120.51 117.31 2daq n ALA 104 Ca -0.01 -4.61 0.00 0.00 0.00 0.00 0.00 53.44 48.82 2daq n ALA 104 Cb 0.40 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2daq n ALA 104 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2daq n SER 105 N 2.13 -7.50 -4.92 0.00 7.64 -0.89 -4.64 113.62 105.45 2daq n SER 105 Ca 0.33 1.06 -0.26 0.00 1.01 0.00 0.00 58.87 61.00 2daq n SER 105 Cb 0.34 -3.99 -0.01 0.00 -1.01 0.00 0.00 64.21 59.54 2daq n SER 105 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2daq s GLY 106 N -0.84 1.43 -0.03 0.23 0.00 -1.24 -4.19 107.32 102.68 2daq s GLY 106 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 44.72 43.82 2daq s GLY 106 CO 0.00 -0.54 1.08 -0.56 0.00 0.00 0.00 173.10 173.07 2daq h PRO 107 N 0.43 0.22 -5.92 2.90 0.13 -1.93 -3.49 132.00 124.34 2daq h PRO 107 Ca -0.48 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2daq h PRO 107 Cb 1.21 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2daq h PRO 107 CO 0.61 0.92 -0.78 -1.13 -0.23 0.00 0.00 178.00 177.39 2daq n SER 108 N -4.48 -6.32 -4.59 1.44 3.41 -1.26 -5.00 113.62 96.82 2daq n SER 108 Ca -0.09 0.87 -0.24 0.00 -0.26 0.00 0.00 58.87 59.14 2daq n SER 108 Cb 0.51 -2.69 -0.08 0.00 -0.26 0.00 0.00 64.21 61.69 2daq n SER 108 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2daq s SER 109 N -0.76 4.30 0.00 4.04 0.01 -1.26 -5.23 113.70 114.80 2daq s SER 109 Ca -0.04 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2daq s SER 109 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.51 2daq s SER 109 CO 0.24 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.54