#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 5.38 -0.14 1.61 0.01 -1.26 -5.14 113.70 114.17 2daq s SER 2 Ca 0.00 -0.57 -0.14 0.00 1.31 0.00 0.00 55.95 56.55 2daq s SER 2 Cb 0.00 -0.63 0.04 0.00 0.21 0.00 0.00 66.02 65.64 2daq s SER 2 CO 0.00 -0.71 0.39 -0.55 0.41 0.00 0.00 173.24 172.79 2daq s SER 3 N -4.25 -0.40 0.00 2.44 0.15 -1.26 -5.12 113.70 105.27 2daq s SER 3 Ca 0.52 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2daq s SER 3 Cb -0.07 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2daq s SER 3 CO 0.31 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2daq n GLY 4 N 2.72 0.99 3.85 9.45 0.00 -1.26 -5.00 105.19 115.94 2daq n GLY 4 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.00 4.48 -0.28 1.61 0.01 -1.26 -5.09 113.70 112.17 2daq s SER 5 Ca 0.00 1.00 -0.19 0.00 1.31 0.00 0.00 55.95 58.08 2daq s SER 5 Cb 0.00 -1.63 0.09 0.00 0.21 0.00 0.00 66.02 64.68 2daq s SER 5 CO 0.00 -1.94 0.74 -0.44 0.41 0.00 0.00 173.24 172.01 2daq s SER 6 N -4.27 -0.84 -0.49 2.44 0.01 -1.26 -5.08 113.70 104.21 2daq s SER 6 Ca 0.61 1.41 0.08 0.00 1.31 0.00 0.00 55.95 59.36 2daq s SER 6 Cb -0.13 1.37 0.31 0.00 0.21 0.00 0.00 66.02 67.79 2daq s SER 6 CO 0.52 -0.23 0.77 0.61 0.41 0.00 0.00 173.24 175.32 2daq n GLY 7 N 3.74 4.37 3.61 3.44 0.00 -1.26 -5.06 105.19 114.03 2daq n GLY 7 Ca -0.18 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.18 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 -2.57 3.60 0.49 1.61 1.02 -1.26 -4.95 119.74 117.68 2daq s LYS 8 Ca 0.42 1.13 -0.20 0.00 0.02 0.00 0.00 55.97 57.34 2daq s LYS 8 Cb 0.26 -4.04 -0.11 0.00 -0.52 0.00 0.00 37.83 33.42 2daq s LYS 8 CO -0.09 -1.53 0.50 1.28 -0.92 0.00 0.00 175.35 174.59 2daq n LEU 9 N 8.87 0.15 -4.59 3.17 4.32 -1.26 -4.97 117.00 122.70 2daq n LEU 9 Ca 0.18 0.82 -0.30 0.00 -0.02 0.00 0.00 56.01 56.68 2daq n LEU 9 Cb 0.47 -1.13 -0.10 0.00 -1.62 0.00 0.00 43.42 41.04 2daq n LEU 9 CO 0.69 -3.06 -0.41 -1.00 -1.22 0.00 0.00 177.39 172.39 2daq s HIS 10 N -1.62 2.79 1.02 -1.77 3.76 -1.26 -5.11 115.29 113.10 2daq s HIS 10 Ca 0.65 -0.12 -0.17 0.00 -0.15 0.00 0.00 55.06 55.27 2daq s HIS 10 Cb -0.52 -1.49 0.07 0.00 1.11 0.00 0.00 32.58 31.75 2daq s HIS 10 CO 0.57 0.40 -0.15 0.66 -0.85 0.00 0.00 174.74 175.37 2daq n TYR 11 N 0.98 -1.76 -4.05 1.40 4.01 -1.26 -3.59 117.16 112.89 2daq n TYR 11 Ca -0.14 0.21 -0.44 0.00 -0.16 0.00 0.00 57.90 57.37 2daq n TYR 11 Cb 0.52 -1.44 0.02 0.00 -0.31 0.00 0.00 39.34 38.13 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 -0.88 -0.39 -3.68 -0.72 5.02 0.36 -4.93 118.16 112.93 2daq n LYS 12 Ca 0.02 0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.31 2daq n LYS 12 Cb 0.50 -2.46 -0.15 0.00 -0.02 0.00 0.00 35.03 32.91 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 -7.14 0.08 0.11 1.97 0.74 -1.21 -4.95 119.66 109.25 2daq s GLN 13 Ca 0.43 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 56.11 2daq s GLN 13 Cb -0.24 -0.20 -0.07 0.00 1.10 0.00 0.00 33.01 33.61 2daq s GLN 13 CO 0.97 -0.27 1.20 0.42 -0.55 0.00 0.00 175.29 177.06 2daq s ILE 14 N 2.07 3.83 0.19 -2.34 -1.09 -1.26 -0.53 121.20 122.06 2daq s ILE 14 Ca -0.00 1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 59.67 2daq s ILE 14 Cb -0.12 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 2daq s ILE 14 CO -0.07 0.15 0.44 0.68 -1.23 0.00 0.00 174.94 174.92 2daq s VAL 15 N 0.62 0.04 0.27 2.92 -7.23 0.35 -3.14 120.40 114.24 2daq s VAL 15 Ca 0.57 -1.04 -0.05 0.00 -1.81 0.00 0.00 61.98 59.64 2daq s VAL 15 Cb -0.31 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2daq s VAL 15 CO 0.32 -0.17 0.54 0.26 -0.31 0.00 0.00 175.10 175.74 2daq s TRP 16 N -3.92 3.47 -0.05 2.82 0.52 0.87 -0.27 118.94 122.38 2daq s TRP 16 Ca 0.13 0.66 0.05 0.00 0.02 0.00 0.00 56.10 56.95 2daq s TRP 16 Cb 0.00 -2.11 -0.02 0.00 -1.15 0.00 0.00 33.47 30.19 2daq s TRP 16 CO -0.01 0.20 -0.20 0.54 0.02 0.00 0.00 176.95 177.50 2daq s VAL 17 N -2.03 2.58 -0.25 4.03 0.11 0.21 -2.74 120.40 122.30 2daq s VAL 17 Ca 0.44 -0.89 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 2daq s VAL 17 Cb -0.11 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 2daq s VAL 17 CO 0.29 0.58 0.49 -0.75 -3.33 0.00 0.00 175.10 172.38 2daq s LYS 18 N -0.44 4.08 0.00 1.54 2.20 -1.26 -2.07 119.74 123.79 2daq s LYS 18 Ca 0.05 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 2daq s LYS 18 Cb -0.12 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2daq s LYS 18 CO 0.02 -0.30 0.00 1.28 -0.36 0.00 0.00 175.35 175.98 2daq n LEU 19 N 5.38 0.00 0.00 5.43 4.77 -1.25 -5.04 117.00 126.29 2daq n LEU 19 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2daq n LEU 19 Cb 0.50 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2daq n LEU 19 CO 0.40 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2daq n GLY 20 N 3.18 3.30 0.33 -0.72 0.00 -1.24 -5.05 105.19 104.98 2daq n GLY 20 Ca 0.00 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 2daq n GLY 20 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2daq h ASN 21 N 0.00 -0.83 -3.50 1.61 -0.73 -2.03 -3.37 115.58 106.73 2daq h ASN 21 Ca 0.00 0.05 -0.62 0.00 1.87 0.00 0.00 56.30 57.60 2daq h ASN 21 Cb 0.00 0.26 -0.41 0.00 0.27 0.00 0.00 38.32 38.43 2daq h ASN 21 CO 0.00 -0.46 -0.64 -0.31 -0.37 0.00 0.00 177.43 175.65 2daq s TYR 22 N -4.83 3.11 0.00 0.67 2.02 -1.26 -4.92 117.35 112.13 2daq s TYR 22 Ca -0.12 -3.12 0.00 0.00 -0.37 0.00 0.00 57.07 53.46 2daq s TYR 22 Cb 0.02 -2.53 0.00 0.00 -0.40 0.00 0.00 41.96 39.05 2daq s TYR 22 CO 0.38 -0.65 0.00 -2.13 -1.57 0.00 0.00 175.55 171.58 2daq n ARG 23 N 2.56 0.00 -2.87 -0.62 0.63 -1.26 -5.15 116.66 109.95 2daq n ARG 23 Ca 0.15 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.84 2daq n ARG 23 Cb 0.35 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.27 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 0.00 3.25 -0.01 -0.14 0.52 -1.26 -3.69 118.94 117.61 2daq s TRP 24 Ca 0.00 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.45 2daq s TRP 24 Cb 0.00 -2.38 -0.00 0.00 -1.15 0.00 0.00 33.47 29.94 2daq s TRP 24 CO 0.00 -0.43 0.02 -0.46 0.02 0.00 0.00 176.95 176.10 2daq s TRP 25 N -2.64 0.01 0.33 -1.98 -0.11 -0.88 -4.95 118.94 108.72 2daq s TRP 25 Ca 0.49 -0.01 -0.27 0.00 1.22 0.00 0.00 56.10 57.54 2daq s TRP 25 Cb -0.10 -0.02 -0.09 0.00 -1.50 0.00 0.00 33.47 31.76 2daq s TRP 25 CO 0.39 -0.05 1.07 -1.25 -4.62 0.00 0.00 176.95 172.50 2daq s PRO 26 N -0.21 4.43 0.09 5.86 0.04 -1.26 0.63 135.00 144.58 2daq s PRO 26 Ca -0.02 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.41 2daq s PRO 26 Cb -0.02 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.71 2daq s PRO 26 CO -0.00 0.06 0.65 0.00 0.04 0.00 0.00 177.00 177.76 2daq s ALA 27 N -1.39 -1.67 -0.10 8.56 0.00 0.63 -3.16 121.76 124.62 2daq s ALA 27 Ca 0.50 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2daq s ALA 27 Cb -0.27 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.48 2daq s ALA 27 CO 0.34 -0.66 -0.15 -2.00 0.00 0.00 0.00 175.76 173.29 2daq s GLU 28 N -3.07 2.16 0.20 0.00 2.12 -1.06 0.13 118.70 119.17 2daq s GLU 28 Ca -0.01 -0.54 -0.33 0.00 0.36 0.00 0.00 54.97 54.45 2daq s GLU 28 Cb -0.01 -1.83 -0.13 0.00 0.26 0.00 0.00 34.13 32.42 2daq s GLU 28 CO -0.07 -0.05 1.62 -0.89 -0.54 0.00 0.00 175.26 175.33 2daq n ILE 29 N 4.15 0.17 -4.36 -3.70 5.41 0.31 -2.29 119.36 119.05 2daq n ILE 29 Ca -0.19 -0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.22 2daq n ILE 29 Cb 0.51 -1.75 -0.05 0.00 -0.71 0.00 0.00 39.64 37.64 2daq n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2daq s ASN 31 N -4.00 6.11 0.42 0.00 -0.87 -1.26 -4.21 114.94 111.13 2daq s ASN 31 Ca 0.23 0.05 0.28 0.00 -1.57 0.00 0.00 52.86 51.84 2daq s ASN 31 Cb 0.01 -1.77 0.88 0.00 -0.02 0.00 0.00 41.25 40.36 2daq s ASN 31 CO 0.13 0.01 1.79 1.55 -2.57 0.00 0.00 177.10 178.01 2daq h PRO 32 N 1.86 0.00 0.00 -0.60 0.13 -1.93 -2.57 132.00 128.90 2daq h PRO 32 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2daq h PRO 32 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2daq h PRO 32 CO 0.65 0.00 -0.26 0.54 -0.23 0.00 0.00 178.00 178.69 2daq n ARG 33 N -2.85 0.18 -0.04 0.86 5.12 -1.26 -4.23 116.66 114.44 2daq n ARG 33 Ca 0.03 0.10 -0.03 0.00 -1.93 0.00 0.00 57.85 56.02 2daq n ARG 33 Cb 0.39 -1.66 -0.01 0.00 -1.16 0.00 0.00 32.46 30.02 2daq n ARG 33 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2daq n SER 34 N -1.94 0.89 -4.11 0.55 2.88 -1.00 -4.97 113.62 105.91 2daq n SER 34 Ca 0.05 0.36 -0.36 0.00 -1.33 0.00 0.00 58.87 57.58 2daq n SER 34 Cb 0.40 -0.66 0.04 0.00 -0.75 0.00 0.00 64.21 63.24 2daq n SER 34 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2daq n VAL 35 N -3.41 0.10 -2.54 2.46 0.24 -1.01 -4.87 118.33 109.31 2daq n VAL 35 Ca -0.04 -0.47 -0.36 0.00 -2.04 0.00 0.00 64.34 61.43 2daq n VAL 35 Cb 0.16 -0.09 -0.04 0.00 -1.47 0.00 0.00 33.84 32.40 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 -1.96 4.05 0.34 7.34 0.04 -1.26 -4.81 135.00 138.75 2daq s PRO 36 Ca 0.46 1.47 0.14 0.00 0.04 0.00 0.00 61.00 63.12 2daq s PRO 36 Cb -0.26 -2.41 1.12 0.00 0.04 0.00 0.00 34.50 32.99 2daq s PRO 36 CO 0.77 -0.23 1.60 -0.07 0.04 0.00 0.00 177.00 179.10 2daq h LEU 37 N 2.21 0.17 -0.97 -3.56 -0.00 -1.92 1.14 115.31 112.38 2daq h LEU 37 Ca -0.49 0.24 0.29 0.00 -0.00 0.00 0.00 57.88 57.93 2daq h LEU 37 Cb 1.22 0.29 -0.17 0.00 -0.00 0.00 0.00 40.66 41.99 2daq h LEU 37 CO 0.61 -0.34 0.16 -1.13 -0.00 0.00 0.00 178.44 177.75 2daq h ASN 38 N 0.09 -0.24 0.10 -0.43 -0.73 -2.00 0.86 115.58 113.23 2daq h ASN 38 Ca 0.75 0.26 -0.00 0.00 1.87 0.00 0.00 56.30 59.18 2daq h ASN 38 Cb 1.83 0.41 0.00 0.00 0.27 0.00 0.00 38.32 40.82 2daq h ASN 38 CO -0.76 -0.33 -0.05 0.40 -0.37 0.00 0.00 177.43 176.32 2daq h ILE 39 N 0.05 1.03 -0.93 2.57 1.08 0.97 -3.26 117.51 119.02 2daq h ILE 39 Ca 0.63 -1.36 0.27 0.00 -0.39 0.00 0.00 64.86 64.02 2daq h ILE 39 Cb 1.39 1.79 -0.15 0.00 -3.07 0.00 0.00 36.82 36.78 2daq h ILE 39 CO -0.84 0.29 0.27 1.56 -0.69 0.00 0.00 178.15 178.73 2daq h GLN 40 N -0.85 0.16 -0.88 2.37 4.20 -0.06 1.38 115.11 121.43 2daq h GLN 40 Ca -0.01 -0.01 0.23 0.00 0.06 0.00 0.00 58.65 58.91 2daq h GLN 40 Cb 0.57 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 2daq h GLN 40 CO 0.02 0.11 0.61 0.78 -0.67 0.00 0.00 178.83 179.67 2daq h GLY 41 N 0.16 0.46 0.00 3.46 0.00 0.52 -2.89 103.07 104.78 2daq h GLY 41 Ca 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2daq h GLY 41 CO -0.71 -0.01 0.00 1.04 0.00 0.00 0.00 176.54 176.86 2daq n LEU 42 N -4.40 0.00 -1.02 3.11 4.77 0.47 -4.99 117.00 114.94 2daq n LEU 42 Ca 0.19 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 2daq n LEU 42 Cb 0.81 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2daq n LEU 42 CO 0.34 -0.08 -0.28 0.29 -1.33 0.00 0.00 177.39 176.33 2daq n LYS 43 N -1.04 -2.90 0.06 3.23 5.02 -1.09 -5.07 118.16 116.37 2daq n LYS 43 Ca 0.00 2.14 0.00 0.00 -2.02 0.00 0.00 58.31 58.43 2daq n LYS 43 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 2daq n LYS 43 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2daq n HIS 44 N -0.55 -1.11 -3.64 2.13 -0.00 -1.26 -5.07 115.22 105.72 2daq n HIS 44 Ca 0.00 0.20 -0.03 0.00 0.46 0.00 0.00 57.72 58.35 2daq n HIS 44 Cb 0.00 0.59 -0.01 0.00 -0.12 0.00 0.00 29.99 30.45 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 -4.27 -0.18 0.00 0.26 -1.08 -1.26 -5.05 116.67 105.09 2daq s ASP 45 Ca 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 2daq s ASP 45 Cb 0.00 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 41.77 2daq s ASP 45 CO 0.00 -0.56 0.95 0.18 0.52 0.00 0.00 175.17 176.27 2daq n LEU 46 N -0.36 0.00 0.00 -1.34 4.77 -1.26 -3.31 117.00 115.50 2daq n LEU 46 Ca -0.06 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2daq n LEU 46 Cb 0.61 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2daq n LEU 46 CO 0.12 -0.45 0.25 0.61 -1.33 0.00 0.00 177.39 176.58 2daq n GLY 47 N -0.98 -3.17 3.66 -0.72 0.00 -1.26 -4.35 105.19 98.38 2daq n GLY 47 Ca 0.00 0.67 -0.66 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.22 1.02 -4.53 1.61 9.92 -1.21 -4.71 116.55 117.43 2daq n ASP 48 Ca 0.00 1.17 -0.25 0.00 -0.53 0.00 0.00 54.79 55.18 2daq n ASP 48 Cb 0.00 -0.87 -0.10 0.00 -0.64 0.00 0.00 41.12 39.51 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 2.53 2.40 0.01 1.24 -0.12 -1.04 -4.46 117.98 118.54 2daq s PHE 49 Ca 1.02 -0.42 -0.30 0.00 -0.05 0.00 0.00 56.93 57.17 2daq s PHE 49 Cb -1.45 -1.25 -0.04 0.00 -0.63 0.00 0.00 43.02 39.65 2daq s PHE 49 CO 0.77 0.62 1.19 -1.25 -0.05 0.00 0.00 175.22 176.50 2daq s PRO 50 N -3.59 4.41 0.03 1.99 0.04 -1.26 -3.15 135.00 133.47 2daq s PRO 50 Ca 0.32 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2daq s PRO 50 Cb -0.01 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 2daq s PRO 50 CO 0.16 -0.33 -0.13 0.14 0.04 0.00 0.00 177.00 176.88 2daq s VAL 51 N 1.56 1.06 -0.23 -0.36 -7.23 -0.94 0.15 120.40 114.41 2daq s VAL 51 Ca 0.57 -0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 59.74 2daq s VAL 51 Cb -0.27 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.68 2daq s VAL 51 CO 0.26 0.04 0.10 0.12 -0.31 0.00 0.00 175.10 175.31 2daq s PHE 52 N -0.77 3.18 -0.22 2.82 5.36 -0.97 -2.34 117.98 125.04 2daq s PHE 52 Ca 0.02 -0.10 -0.21 0.00 -0.96 0.00 0.00 56.93 55.67 2daq s PHE 52 Cb -0.07 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.36 2daq s PHE 52 CO 0.01 -0.13 0.64 -0.06 -1.46 0.00 0.00 175.22 174.23 2daq s PHE 53 N 1.22 3.34 1.01 10.12 0.40 -0.53 -2.58 117.98 130.96 2daq s PHE 53 Ca 0.05 0.90 -0.12 0.00 -0.60 0.00 0.00 56.93 57.16 2daq s PHE 53 Cb -0.14 -2.83 0.20 0.00 0.51 0.00 0.00 43.02 40.75 2daq s PHE 53 CO 0.04 -0.25 1.08 -0.06 0.70 0.00 0.00 175.22 176.74 2daq s PHE 54 N 2.20 1.96 0.00 0.36 0.08 -1.19 0.11 117.98 121.50 2daq s PHE 54 Ca 0.28 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.44 2daq s PHE 54 Cb -0.16 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.09 2daq s PHE 54 CO 0.09 -3.01 0.00 0.41 -0.10 0.00 0.00 175.22 172.61 2daq n GLY 55 N -0.64 0.93 0.09 4.36 0.00 -1.26 -3.90 105.19 104.78 2daq n GLY 55 Ca 0.05 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 0.14 -3.31 1.61 0.87 -1.92 -3.48 113.55 107.46 2daq h SER 56 Ca 0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2daq h SER 56 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2daq h SER 56 CO 0.00 1.25 -0.00 1.41 -0.53 0.00 0.00 176.83 178.96 2daq n HIS 57 N -4.39 -0.39 -3.82 2.24 -0.00 0.29 -5.07 115.22 104.08 2daq n HIS 57 Ca -0.17 0.15 -0.12 0.00 -0.00 0.00 0.00 57.72 57.58 2daq n HIS 57 Cb 0.64 -1.84 -0.13 0.00 -0.00 0.00 0.00 29.99 28.66 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 -2.10 -0.14 0.01 0.41 1.01 -1.17 -4.92 116.67 109.75 2daq s ASP 58 Ca 0.00 0.27 -0.09 0.00 0.71 0.00 0.00 52.55 53.45 2daq s ASP 58 Cb -0.00 0.28 -0.05 0.00 1.01 0.00 0.00 42.92 44.16 2daq s ASP 58 CO 0.10 -0.05 0.30 -0.31 0.21 0.00 0.00 175.17 175.42 2daq s TYR 59 N 0.07 3.60 0.01 4.23 2.02 -1.26 -1.45 117.35 124.58 2daq s TYR 59 Ca -0.00 0.68 -0.15 0.00 -0.37 0.00 0.00 57.07 57.23 2daq s TYR 59 Cb -0.01 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2daq s TYR 59 CO 0.00 0.61 0.32 0.71 -1.57 0.00 0.00 175.55 175.63 2daq s TYR 60 N -1.25 -0.16 -0.83 2.71 2.02 -0.99 -4.97 117.35 113.89 2daq s TYR 60 Ca 0.26 0.15 -0.15 0.00 -0.37 0.00 0.00 57.07 56.97 2daq s TYR 60 Cb -0.14 0.11 0.20 0.00 -0.40 0.00 0.00 41.96 41.73 2daq s TYR 60 CO 0.15 -0.45 0.80 -1.58 -1.57 0.00 0.00 175.55 172.90 2daq s TRP 61 N -1.90 3.65 -0.10 2.71 0.52 -1.26 -2.21 118.94 120.36 2daq s TRP 61 Ca -0.10 -1.87 -0.04 0.00 0.02 0.00 0.00 56.10 54.12 2daq s TRP 61 Cb -0.03 -3.88 -0.04 0.00 -1.15 0.00 0.00 33.47 28.37 2daq s TRP 61 CO 0.01 -1.06 0.06 0.14 0.02 0.00 0.00 176.95 176.11 2daq s VAL 62 N 0.59 4.80 1.42 4.03 -7.23 -1.19 -4.85 120.40 117.98 2daq s VAL 62 Ca 0.19 -0.07 -0.23 0.00 -1.81 0.00 0.00 61.98 60.06 2daq s VAL 62 Cb -0.10 -3.06 0.36 0.00 0.56 0.00 0.00 36.38 34.14 2daq s VAL 62 CO -0.08 0.60 0.84 0.00 -0.31 0.00 0.00 175.10 176.15 2daq n HIS 63 N 2.04 -3.49 -4.09 2.82 1.44 -1.26 -2.49 115.22 110.19 2daq n HIS 63 Ca -0.19 -0.70 -0.29 0.00 -2.01 0.00 0.00 57.72 54.53 2daq n HIS 63 Cb 0.54 -1.37 -0.07 0.00 0.12 0.00 0.00 29.99 29.21 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 -4.88 2.74 0.00 -1.40 -2.07 -1.26 -4.47 119.66 108.32 2daq s GLN 64 Ca 0.65 -0.80 0.00 0.00 -1.82 0.00 0.00 55.36 53.39 2daq s GLN 64 Cb -0.13 -2.62 0.00 0.00 -1.09 0.00 0.00 33.01 29.17 2daq s GLN 64 CO 0.55 0.54 0.00 0.41 -1.32 0.00 0.00 175.29 175.47 2daq n GLY 65 N 0.33 2.19 0.01 2.60 0.00 -1.26 -4.86 105.19 104.20 2daq n GLY 65 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.81 0.07 -3.90 1.61 1.74 -1.26 -4.88 116.66 108.23 2daq n ARG 66 Ca 0.00 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 2daq n ARG 66 Cb 0.00 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 29.87 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 5.35 0.12 1.55 -7.23 -1.26 -4.02 120.40 111.87 2daq s VAL 67 Ca 0.09 -0.42 0.09 0.00 -1.81 0.00 0.00 61.98 59.93 2daq s VAL 67 Cb 0.16 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2daq s VAL 67 CO 0.73 0.07 -0.17 -0.36 -0.31 0.00 0.00 175.10 175.06 2daq s PHE 68 N -1.59 2.56 -0.06 2.82 0.40 -1.11 -4.84 117.98 116.15 2daq s PHE 68 Ca 0.36 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 2daq s PHE 68 Cb -0.12 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2daq s PHE 68 CO 0.28 0.41 1.22 -1.25 0.70 0.00 0.00 175.22 176.58 2daq s PRO 69 N -2.23 4.33 -0.22 0.24 0.04 -1.26 -0.09 135.00 135.81 2daq s PRO 69 Ca 0.19 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 2daq s PRO 69 Cb -0.10 -3.58 -0.00 0.00 0.04 0.00 0.00 34.50 30.85 2daq s PRO 69 CO 0.11 -0.49 0.86 -0.47 0.04 0.00 0.00 177.00 177.06 2daq s TYR 70 N 2.37 3.34 0.82 0.56 6.14 -1.19 -4.90 117.35 124.48 2daq s TYR 70 Ca 0.56 1.22 -0.06 0.00 0.64 0.00 0.00 57.07 59.43 2daq s TYR 70 Cb -0.25 -3.08 0.16 0.00 0.42 0.00 0.00 41.96 39.22 2daq s TYR 70 CO 0.22 -0.38 1.12 0.14 0.64 0.00 0.00 175.55 177.29 2daq s VAL 71 N 2.74 2.04 -0.11 3.14 -7.23 -1.26 -4.96 120.40 114.77 2daq s VAL 71 Ca 0.37 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 60.13 2daq s VAL 71 Cb -0.16 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.18 2daq s VAL 71 CO 0.08 0.00 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.10 2daq s GLU 72 N -5.41 1.48 0.00 4.82 -6.30 -1.26 -4.76 118.70 107.27 2daq s GLU 72 Ca 0.70 -0.24 0.00 0.00 -2.50 0.00 0.00 54.97 52.92 2daq s GLU 72 Cb -0.04 -1.53 0.00 0.00 0.00 0.00 0.00 34.13 32.56 2daq s GLU 72 CO 0.48 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.93 2daq n GLY 73 N 4.84 2.05 0.34 -1.50 0.00 -1.26 -4.67 105.19 105.00 2daq n GLY 73 Ca -0.13 -0.33 0.16 0.00 0.00 0.00 0.00 46.02 45.72 2daq n GLY 73 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2daq n ASP 74 N 3.86 -0.07 -4.66 1.61 2.03 -1.26 -4.14 116.55 113.91 2daq n ASP 74 Ca 0.00 1.69 -0.42 0.00 0.52 0.00 0.00 54.79 56.58 2daq n ASP 74 Cb 0.00 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.74 2daq n ASP 74 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2daq s LYS 75 N -5.95 4.14 -0.31 -0.67 2.36 -1.26 -4.93 119.74 113.11 2daq s LYS 75 Ca -0.13 2.56 0.03 0.00 -2.55 0.00 0.00 55.97 55.88 2daq s LYS 75 Cb 0.30 -4.14 0.16 0.00 -1.05 0.00 0.00 37.83 33.10 2daq s LYS 75 CO 0.78 -0.96 0.43 0.45 1.55 0.00 0.00 175.35 177.60 2daq s SER 76 N 4.35 0.28 0.01 1.43 0.15 -1.26 -4.96 113.70 113.70 2daq s SER 76 Ca 0.87 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2daq s SER 76 Cb -0.41 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 2daq s SER 76 CO 0.40 -0.33 0.00 0.33 1.20 0.00 0.00 173.24 174.84 2daq n PHE 77 N 5.17 -0.73 -0.05 3.44 7.35 -1.26 -5.00 117.46 126.38 2daq n PHE 77 Ca 0.03 0.04 -0.11 0.00 -0.76 0.00 0.00 57.45 56.65 2daq n PHE 77 Cb 0.49 0.22 -0.07 0.00 0.35 0.00 0.00 39.48 40.47 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2daq h ALA 78 N 0.00 -0.72 -1.41 3.13 0.00 -2.03 -3.41 119.26 114.82 2daq h ALA 78 Ca 0.00 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 2daq h ALA 78 Cb 0.00 0.95 0.14 0.00 0.00 0.00 0.00 17.79 18.88 2daq h ALA 78 CO 0.00 -0.89 -0.79 0.39 0.00 0.00 0.00 179.25 177.97 2daq n GLU 79 N -4.66 0.00 -0.94 0.00 1.02 -1.26 -4.80 120.64 110.00 2daq n GLU 79 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2daq n GLU 79 Cb 0.26 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 2.15 0.12 1.47 0.62 0.00 -1.26 -5.14 105.19 103.15 2daq n GLY 80 Ca 0.13 -1.29 0.17 0.00 0.00 0.00 0.00 46.02 45.02 2daq n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2daq n GLN 81 N 0.00 -3.45 -3.85 1.61 6.02 -1.26 -4.99 117.38 111.45 2daq n GLN 81 Ca 0.00 2.82 -0.12 0.00 -0.01 0.00 0.00 57.00 59.69 2daq n GLN 81 Cb 0.00 -3.98 -0.14 0.00 1.02 0.00 0.00 30.24 27.14 2daq n GLN 81 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2daq s THR 82 N -4.42 -0.01 0.36 5.09 -1.32 -1.26 -5.11 115.64 108.98 2daq s THR 82 Ca 0.00 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 2daq s THR 82 Cb 0.00 -0.05 0.00 0.00 -1.51 0.00 0.00 72.50 70.94 2daq s THR 82 CO 0.00 0.01 0.00 -1.20 -2.21 0.00 0.00 174.62 171.22 2daq n SER 83 N 3.19 -6.88 -2.40 8.08 7.64 -1.26 -4.99 113.62 117.00 2daq n SER 83 Ca -0.14 0.74 -0.02 0.00 1.01 0.00 0.00 58.87 60.46 2daq n SER 83 Cb 0.59 -3.94 -0.02 0.00 -1.01 0.00 0.00 64.21 59.83 2daq n SER 83 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2daq n ILE 84 N -3.74-13.07 -2.24 0.44 -0.00 -1.26 -4.89 119.36 94.60 2daq n ILE 84 Ca -0.02 2.99 -0.41 0.00 -0.00 0.00 0.00 62.75 65.31 2daq n ILE 84 Cb 0.64 -6.20 -0.03 0.00 -0.00 0.00 0.00 39.64 34.06 2daq n ILE 84 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2daq s ASN 85 N -0.61 6.94 -0.05 4.38 4.22 -1.26 -5.03 114.94 123.54 2daq s ASN 85 Ca -0.09 2.53 0.02 0.00 -2.14 0.00 0.00 52.86 53.18 2daq s ASN 85 Cb 0.01 -2.64 0.01 0.00 1.28 0.00 0.00 41.25 39.91 2daq s ASN 85 CO 0.25 -0.41 -0.08 -0.54 -2.04 0.00 0.00 177.10 174.28 2daq s LYS 86 N -1.53 1.13 0.25 3.55 -0.14 -1.26 -5.03 119.74 116.71 2daq s LYS 86 Ca 0.48 -0.25 -0.09 0.00 -1.36 0.00 0.00 55.97 54.76 2daq s LYS 86 Cb -0.37 -1.02 0.40 0.00 -1.68 0.00 0.00 37.83 35.16 2daq s LYS 86 CO 0.48 0.00 1.61 1.15 -0.76 0.00 0.00 175.35 177.83 2daq h THR 87 N 5.91 0.23 -0.50 2.17 2.02 -1.97 0.41 112.91 121.20 2daq h THR 87 Ca -0.35 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 66.90 2daq h THR 87 Cb 1.17 0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 67.68 2daq h THR 87 CO 0.48 0.01 -0.44 0.15 0.37 0.00 0.00 175.52 176.09 2daq h PHE 88 N 0.03 -1.29 -0.93 3.16 3.57 -1.96 1.13 116.94 120.66 2daq h PHE 88 Ca 0.41 0.08 0.13 0.00 3.53 0.00 0.00 57.97 62.11 2daq h PHE 88 Cb 0.68 0.63 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 2daq h PHE 88 CO -0.55 -0.43 0.55 -0.22 -2.23 0.00 0.00 178.31 175.43 2daq h LYS 89 N -0.28 0.82 -0.66 1.11 3.11 -1.38 1.32 116.57 120.61 2daq h LYS 89 Ca 0.16 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.86 2daq h LYS 89 Cb 0.57 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.59 2daq h LYS 89 CO -0.63 0.54 0.09 -0.22 -2.81 0.00 0.00 179.45 176.41 2daq h LYS 90 N 0.85 1.11 -0.35 1.90 3.64 0.59 -0.82 116.57 123.48 2daq h LYS 90 Ca 0.48 -0.31 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 2daq h LYS 90 Cb 0.54 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2daq h LYS 90 CO -0.29 1.03 -0.43 0.00 -2.27 0.00 0.00 179.45 177.49 2daq h ALA 91 N 1.05 0.59 0.28 5.00 0.00 0.39 -1.40 119.26 125.17 2daq h ALA 91 Ca 0.20 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2daq h ALA 91 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2daq h ALA 91 CO 0.02 0.68 -0.24 -0.07 0.00 0.00 0.00 179.25 179.64 2daq h LEU 92 N 0.71 -0.62 0.30 0.00 3.38 0.19 0.42 115.31 119.68 2daq h LEU 92 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2daq h LEU 92 Cb 1.01 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2daq h LEU 92 CO 0.10 -0.36 -0.30 -0.33 0.09 0.00 0.00 178.44 177.65 2daq h GLU 93 N -0.53 -0.60 -0.19 1.13 5.08 -1.14 -1.35 114.58 116.98 2daq h GLU 93 Ca -0.01 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2daq h GLU 93 Cb 0.48 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 2daq h GLU 93 CO -0.03 -0.40 -0.33 0.93 -1.00 0.00 0.00 179.01 178.19 2daq h GLU 94 N -0.63 -0.35 -1.01 2.33 5.08 -1.09 0.21 114.58 119.12 2daq h GLU 94 Ca -0.01 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.64 2daq h GLU 94 Cb 0.57 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 2daq h GLU 94 CO -0.06 -0.24 0.60 0.00 -1.00 0.00 0.00 179.01 178.31 2daq h ALA 95 N 0.48 1.86 0.68 3.43 0.00 0.08 0.18 119.26 125.97 2daq h ALA 95 Ca 0.11 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2daq h ALA 95 Cb 0.55 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2daq h ALA 95 CO -0.40 -0.36 -0.33 0.00 0.00 0.00 0.00 179.25 178.16 2daq h ALA 96 N 1.75 -0.92 -0.35 0.00 0.00 0.45 -2.40 119.26 117.79 2daq h ALA 96 Ca 0.67 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2daq h ALA 96 Cb 1.35 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 2daq h ALA 96 CO -0.50 -0.89 -0.22 -0.22 0.00 0.00 0.00 179.25 177.42 2daq h LYS 97 N -1.17 -0.02 -0.70 0.00 1.63 0.11 0.75 116.57 117.16 2daq h LYS 97 Ca -0.09 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.77 2daq h LYS 97 Cb 0.73 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.28 2daq h LYS 97 CO 0.15 -0.01 -0.43 0.00 -3.45 0.00 0.00 179.45 175.71 2daq h ARG 98 N -0.02 -0.02 -1.21 1.90 2.47 -1.22 1.29 114.38 117.58 2daq h ARG 98 Ca 0.06 0.00 0.37 0.00 -1.26 0.00 0.00 59.98 59.15 2daq h ARG 98 Cb 0.17 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.37 2daq h ARG 98 CO -0.34 -0.01 0.78 0.35 0.56 0.00 0.00 179.97 181.30 2daq h PHE 99 N -0.02 0.58 0.07 3.04 3.57 -0.60 1.54 116.94 125.12 2daq h PHE 99 Ca 0.11 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.39 2daq h PHE 99 Cb 0.30 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 2daq h PHE 99 CO -0.99 -0.12 -1.09 1.96 -2.23 0.00 0.00 178.31 175.84 2daq h GLN 100 N 0.19 0.24 0.22 1.11 1.08 0.35 -3.21 115.11 115.09 2daq h GLN 100 Ca 0.74 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.58 2daq h GLN 100 Cb 2.18 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 29.73 2daq h GLN 100 CO -0.38 1.12 -0.10 0.93 -0.95 0.00 0.00 178.83 179.44 2daq h GLU 101 N 0.09 -0.28 -0.44 1.46 5.08 0.83 -2.14 114.58 119.18 2daq h GLU 101 Ca -0.09 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2daq h GLU 101 Cb 1.80 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.05 2daq h GLU 101 CO 0.17 0.10 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.92 2daq h LEU 102 N -0.84 -1.09 -1.52 1.33 4.07 0.42 1.27 115.31 118.95 2daq h LEU 102 Ca -0.03 0.16 0.19 0.00 0.08 0.00 0.00 57.88 58.28 2daq h LEU 102 Cb 0.51 0.47 -0.06 0.00 1.08 0.00 0.00 40.66 42.66 2daq h LEU 102 CO 0.05 -0.14 0.58 0.07 -1.08 0.00 0.00 178.44 177.91 2daq h LYS 103 N -0.05 0.40 0.12 1.13 2.10 -1.66 -2.03 116.57 116.58 2daq h LYS 103 Ca 0.07 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.70 2daq h LYS 103 Cb 0.24 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 2daq h LYS 103 CO -0.44 0.26 -0.20 0.00 -2.00 0.00 0.00 179.45 177.07 2daq h ALA 104 N 1.62 -0.82 0.00 0.07 0.00 0.22 -3.45 119.26 116.90 2daq h ALA 104 Ca 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2daq h ALA 104 Cb 1.09 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2daq h ALA 104 CO -0.16 -0.85 0.00 0.45 0.00 0.00 0.00 179.25 178.69 2daq n SER 105 N -3.57 0.00 0.00 0.00 2.88 -0.04 -4.92 113.62 107.96 2daq n SER 105 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 2daq n SER 105 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.00 -1.63 2.38 0.46 0.00 -1.26 -4.47 105.19 100.67 2daq n GLY 106 Ca 0.00 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.13 2.41 -2.67 1.61 -0.04 -1.26 -4.58 135.00 130.34 2daq n PRO 107 Ca 0.00 -1.48 -0.01 0.00 -0.04 0.00 0.00 63.50 61.97 2daq n PRO 107 Cb 0.00 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2daq n PRO 107 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daq n SER 108 N 3.55 -7.70 -4.68 3.54 2.88 -1.26 -4.87 113.62 105.08 2daq n SER 108 Ca 0.51 1.24 -0.42 0.00 -1.33 0.00 0.00 58.87 58.87 2daq n SER 108 Cb 0.32 -5.12 -0.03 0.00 -0.75 0.00 0.00 64.21 58.64 2daq n SER 108 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2daq s SER 109 N -1.68 6.71 0.00 -3.46 0.01 -1.26 -5.24 113.70 108.78 2daq s SER 109 Ca 0.03 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.59 2daq s SER 109 Cb -0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2daq s SER 109 CO 0.74 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.17