#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 -0.20 0.56 1.61 1.04 -1.26 -5.09 113.70 110.36 2daq s SER 2 Ca 0.00 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2daq s SER 2 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2daq s SER 2 CO 0.00 -0.58 0.00 -0.24 0.98 0.00 0.00 173.24 173.40 2daq n SER 3 N -0.35 -7.64 -2.84 7.02 2.88 -1.26 -4.96 113.62 106.47 2daq n SER 3 Ca -0.06 1.28 -0.06 0.00 -1.33 0.00 0.00 58.87 58.70 2daq n SER 3 Cb 0.61 -4.76 0.01 0.00 -0.75 0.00 0.00 64.21 59.31 2daq n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daq n GLY 4 N -4.27 -2.45 2.87 0.46 0.00 -1.26 -4.53 105.19 96.01 2daq n GLY 4 Ca -0.08 0.88 -0.00 0.00 0.00 0.00 0.00 46.02 46.82 2daq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2daq n SER 5 N 0.19 -7.32 -4.42 1.61 7.64 -1.26 -5.03 113.62 105.02 2daq n SER 5 Ca 0.05 1.10 -0.21 0.00 1.01 0.00 0.00 58.87 60.82 2daq n SER 5 Cb 0.28 -4.09 -0.10 0.00 -1.01 0.00 0.00 64.21 59.29 2daq n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2daq s SER 6 N -1.38 2.98 0.00 6.43 0.15 -1.26 -5.02 113.70 115.60 2daq s SER 6 Ca -0.01 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2daq s SER 6 Cb 0.00 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2daq s SER 6 CO 0.53 -0.20 0.23 0.61 1.20 0.00 0.00 173.24 175.61 2daq n GLY 7 N -0.55 -1.71 3.89 9.45 0.00 -1.26 -4.57 105.19 110.44 2daq n GLY 7 Ca -0.06 0.37 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.50 3.38 0.21 1.61 3.01 -1.26 -5.08 119.74 121.11 2daq s LYS 8 Ca 0.00 0.43 -0.04 0.00 -1.01 0.00 0.00 55.97 55.35 2daq s LYS 8 Cb 0.00 -2.19 0.05 0.00 -1.01 0.00 0.00 37.83 34.68 2daq s LYS 8 CO 0.00 -0.54 0.25 1.47 0.51 0.00 0.00 175.35 177.04 2daq n LEU 9 N -2.61 0.00 -3.73 3.17 -0.00 -1.26 -5.07 117.00 107.50 2daq n LEU 9 Ca 0.04 -0.28 -0.02 0.00 -0.00 0.00 0.00 56.01 55.76 2daq n LEU 9 Cb 0.55 -0.20 -0.01 0.00 -0.00 0.00 0.00 43.42 43.76 2daq n LEU 9 CO 0.56 -0.84 0.82 -1.00 -0.00 0.00 0.00 177.39 176.93 2daq s HIS 10 N -1.53 -0.09 0.98 1.47 3.76 -1.26 -5.10 115.29 113.51 2daq s HIS 10 Ca 0.15 -0.17 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 2daq s HIS 10 Cb -0.01 0.62 0.18 0.00 1.11 0.00 0.00 32.58 34.48 2daq s HIS 10 CO 0.11 -0.69 1.12 0.71 -0.85 0.00 0.00 174.74 175.14 2daq s TYR 11 N -2.98 1.55 -0.91 1.40 2.02 -1.26 -3.75 117.35 113.42 2daq s TYR 11 Ca 0.14 1.65 -0.08 0.00 -0.37 0.00 0.00 57.07 58.41 2daq s TYR 11 Cb 0.00 -3.28 0.01 0.00 -0.40 0.00 0.00 41.96 38.29 2daq s TYR 11 CO 0.01 -3.08 0.63 1.63 -1.57 0.00 0.00 175.55 173.17 2daq n LYS 12 N -4.41 -1.25 -3.71 -0.62 5.02 0.17 -4.93 118.16 108.43 2daq n LYS 12 Ca 0.10 0.63 -0.11 0.00 -2.02 0.00 0.00 58.31 56.90 2daq n LYS 12 Cb 0.53 -2.49 -0.11 0.00 -0.02 0.00 0.00 35.03 32.93 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 -5.44 0.35 -0.11 1.97 0.74 -1.19 -4.94 119.66 111.04 2daq s GLN 13 Ca 0.12 0.67 -0.30 0.00 0.05 0.00 0.00 55.36 55.91 2daq s GLN 13 Cb -0.06 -0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.02 2daq s GLN 13 CO 0.91 -0.14 1.02 0.42 -0.55 0.00 0.00 175.29 176.94 2daq s ILE 14 N 1.17 4.75 0.18 -2.34 -1.09 -1.26 0.20 121.20 122.82 2daq s ILE 14 Ca -0.08 2.02 -0.05 0.00 -2.23 0.00 0.00 60.65 60.31 2daq s ILE 14 Cb -0.08 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2daq s ILE 14 CO -0.10 -0.00 0.21 0.68 -1.23 0.00 0.00 174.94 174.50 2daq s VAL 15 N 2.05 0.05 -0.24 2.92 -7.23 0.21 -2.19 120.40 115.96 2daq s VAL 15 Ca 0.49 -1.71 -0.14 0.00 -1.81 0.00 0.00 61.98 58.80 2daq s VAL 15 Cb -0.18 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2daq s VAL 15 CO 0.18 -0.20 0.34 0.26 -0.31 0.00 0.00 175.10 175.36 2daq s TRP 16 N -4.06 3.30 0.03 2.82 0.52 0.38 -0.71 118.94 121.22 2daq s TRP 16 Ca 0.26 0.43 -0.23 0.00 0.02 0.00 0.00 56.10 56.59 2daq s TRP 16 Cb 0.05 -2.50 -0.06 0.00 -1.15 0.00 0.00 33.47 29.82 2daq s TRP 16 CO 0.06 -0.10 0.67 0.54 0.02 0.00 0.00 176.95 178.14 2daq s VAL 17 N 1.63 4.81 -0.46 4.03 0.11 0.44 -2.32 120.40 128.64 2daq s VAL 17 Ca 0.15 1.43 -0.25 0.00 -2.93 0.00 0.00 61.98 60.37 2daq s VAL 17 Cb -0.15 -4.02 0.03 0.00 -1.53 0.00 0.00 36.38 30.71 2daq s VAL 17 CO 0.08 0.40 0.89 -0.75 -3.33 0.00 0.00 175.10 172.40 2daq s LYS 18 N -0.20 3.50 -0.02 1.54 2.20 -1.26 -1.20 119.74 124.29 2daq s LYS 18 Ca 0.34 0.09 -0.17 0.00 -0.36 0.00 0.00 55.97 55.88 2daq s LYS 18 Cb -0.19 -3.93 -0.09 0.00 -1.51 0.00 0.00 37.83 32.10 2daq s LYS 18 CO 0.20 -1.20 0.71 -0.07 -0.36 0.00 0.00 175.35 174.63 2daq h LEU 19 N 10.46 -0.50 0.00 5.43 -0.00 -1.93 -3.49 115.31 125.28 2daq h LEU 19 Ca -0.24 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2daq h LEU 19 Cb 1.08 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2daq h LEU 19 CO 1.01 -0.11 0.00 0.61 -0.00 0.00 0.00 178.44 179.95 2daq n GLY 20 N 0.20 -0.83 2.71 0.83 0.00 -1.26 -5.00 105.19 101.84 2daq n GLY 20 Ca -0.07 0.40 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 2daq n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2daq n ASN 21 N 0.00 -2.44 -2.65 1.61 4.13 -1.26 -5.00 115.26 109.65 2daq n ASN 21 Ca 0.00 -3.48 -0.03 0.00 1.68 0.00 0.00 54.58 52.75 2daq n ASN 21 Cb 0.00 1.75 0.11 0.00 -1.54 0.00 0.00 39.78 40.10 2daq n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2daq n TYR 22 N 0.96 -0.03 -1.53 3.10 4.19 -1.26 -5.13 117.16 117.45 2daq n TYR 22 Ca 0.08 -0.52 0.00 0.00 3.31 0.00 0.00 57.90 60.78 2daq n TYR 22 Cb 0.66 1.08 0.00 0.00 0.49 0.00 0.00 39.34 41.57 2daq n TYR 22 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2daq n ARG 23 N 0.80 -4.40 -1.55 2.98 3.00 -1.26 -4.94 116.66 111.29 2daq n ARG 23 Ca -0.05 3.27 -0.29 0.00 -0.01 0.00 0.00 57.85 60.76 2daq n ARG 23 Cb 0.75 -3.67 0.13 0.00 0.00 0.00 0.00 32.46 29.67 2daq n ARG 23 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2daq s TRP 24 N -3.22 2.56 -0.04 -1.55 0.52 -1.26 -4.54 118.94 111.41 2daq s TRP 24 Ca 0.00 0.88 0.03 0.00 0.02 0.00 0.00 56.10 57.03 2daq s TRP 24 Cb 0.00 -3.37 0.01 0.00 -1.15 0.00 0.00 33.47 28.96 2daq s TRP 24 CO 0.00 -2.28 -0.10 -0.46 0.02 0.00 0.00 176.95 174.13 2daq s TRP 25 N -3.28 1.14 0.33 -1.98 -0.11 -0.34 -4.95 118.94 109.75 2daq s TRP 25 Ca 0.63 -0.33 -0.27 0.00 1.22 0.00 0.00 56.10 57.36 2daq s TRP 25 Cb -0.15 -0.82 -0.09 0.00 -1.50 0.00 0.00 33.47 30.91 2daq s TRP 25 CO 0.53 -0.16 1.07 -1.25 -4.62 0.00 0.00 176.95 172.52 2daq s PRO 26 N 0.36 4.42 0.25 5.86 0.04 -1.26 0.17 135.00 144.83 2daq s PRO 26 Ca -0.07 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.41 2daq s PRO 26 Cb -0.11 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.58 2daq s PRO 26 CO 0.01 0.06 0.72 0.00 0.04 0.00 0.00 177.00 177.83 2daq s ALA 27 N -1.40 -1.32 -0.11 8.56 0.00 0.11 -3.05 121.76 124.55 2daq s ALA 27 Ca 0.51 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.34 2daq s ALA 27 Cb -0.27 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.71 2daq s ALA 27 CO 0.34 -0.99 -0.11 -2.00 0.00 0.00 0.00 175.76 173.00 2daq s GLU 28 N -3.83 1.79 -0.02 0.00 -6.30 -1.18 0.64 118.70 109.80 2daq s GLU 28 Ca 0.09 -0.38 -0.34 0.00 -2.50 0.00 0.00 54.97 51.83 2daq s GLU 28 Cb -0.05 -1.67 -0.13 0.00 0.00 0.00 0.00 34.13 32.29 2daq s GLU 28 CO 0.03 -0.16 1.77 -0.89 0.02 0.00 0.00 175.26 176.03 2daq n ILE 29 N 4.53 0.37 -3.90 -3.70 5.41 0.13 -2.92 119.36 119.28 2daq n ILE 29 Ca -0.17 -0.07 -0.22 0.00 1.00 0.00 0.00 62.75 63.29 2daq n ILE 29 Cb 0.51 -1.71 -0.05 0.00 -0.71 0.00 0.00 39.64 37.68 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 -3.96 5.83 0.49 0.00 0.01 -1.26 -3.76 114.94 112.28 2daq s ASN 31 Ca 0.41 0.20 0.28 0.00 -0.71 0.00 0.00 52.86 53.04 2daq s ASN 31 Cb -0.03 -1.46 0.83 0.00 0.41 0.00 0.00 41.25 41.00 2daq s ASN 31 CO 0.25 -0.68 1.79 1.55 -1.51 0.00 0.00 177.10 178.49 2daq h PRO 32 N 0.45 0.00 0.00 -0.60 0.13 -1.92 -2.49 132.00 127.58 2daq h PRO 32 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2daq h PRO 32 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2daq h PRO 32 CO 0.56 0.03 -0.52 0.54 -0.23 0.00 0.00 178.00 178.38 2daq n ARG 33 N -3.12 0.15 -0.06 0.86 5.12 -1.26 -4.25 116.66 114.10 2daq n ARG 33 Ca 0.02 0.05 -0.04 0.00 -1.93 0.00 0.00 57.85 55.95 2daq n ARG 33 Cb 0.43 -1.60 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 2daq n ARG 33 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2daq h SER 34 N 0.00 0.00 -3.45 0.55 0.02 -1.88 -3.48 113.55 105.32 2daq h SER 34 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2daq h SER 34 Cb 0.63 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.37 2daq h SER 34 CO 0.00 0.66 -0.41 1.33 -1.14 0.00 0.00 176.83 177.26 2daq n VAL 35 N -4.43 0.73 -2.26 2.27 0.24 -0.97 -4.94 118.33 108.98 2daq n VAL 35 Ca -0.06 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.66 2daq n VAL 35 Cb 0.21 -0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 31.85 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 -3.45 3.55 0.39 7.34 0.04 -1.26 -4.80 135.00 136.81 2daq s PRO 36 Ca 0.61 1.24 0.18 0.00 0.04 0.00 0.00 61.00 63.07 2daq s PRO 36 Cb -0.26 -2.06 1.11 0.00 0.04 0.00 0.00 34.50 33.32 2daq s PRO 36 CO 0.63 -0.63 1.76 -0.07 0.04 0.00 0.00 177.00 178.73 2daq h LEU 37 N 0.88 0.45 -0.84 -3.56 -0.00 -1.92 0.52 115.31 110.85 2daq h LEU 37 Ca -0.48 0.09 0.21 0.00 -0.00 0.00 0.00 57.88 57.71 2daq h LEU 37 Cb 1.22 0.02 -0.13 0.00 -0.00 0.00 0.00 40.66 41.77 2daq h LEU 37 CO 0.58 0.07 0.24 -1.13 -0.00 0.00 0.00 178.44 178.20 2daq h ASN 38 N 0.39 0.05 0.01 -0.43 -1.24 -1.99 1.41 115.58 113.78 2daq h ASN 38 Ca 0.62 0.18 -0.06 0.00 0.71 0.00 0.00 56.30 57.74 2daq h ASN 38 Cb 1.56 0.23 0.01 0.00 0.73 0.00 0.00 38.32 40.84 2daq h ASN 38 CO -0.33 -0.10 -0.23 0.40 -1.29 0.00 0.00 177.43 175.89 2daq h ILE 39 N 0.26 1.58 -0.83 2.57 1.08 -0.36 -3.21 117.51 118.60 2daq h ILE 39 Ca 0.52 -2.01 0.19 0.00 -0.39 0.00 0.00 64.86 63.17 2daq h ILE 39 Cb 0.99 2.87 -0.05 0.00 -3.07 0.00 0.00 36.82 37.55 2daq h ILE 39 CO -0.60 0.55 0.56 1.56 -0.69 0.00 0.00 178.15 179.53 2daq h GLN 40 N -0.57 0.29 -0.02 2.37 4.20 0.05 0.45 115.11 121.89 2daq h GLN 40 Ca -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2daq h GLN 40 Cb 1.02 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 2daq h GLN 40 CO 0.05 0.19 0.01 0.78 -0.67 0.00 0.00 178.83 179.19 2daq h GLY 41 N 0.30 0.00 0.00 3.46 0.00 0.18 -3.21 103.07 103.81 2daq h GLY 41 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2daq h GLY 41 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.46 2daq n LEU 42 N -4.45 0.00 -1.21 3.11 4.77 0.16 -4.98 117.00 114.40 2daq n LEU 42 Ca -0.03 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 2daq n LEU 42 Cb 0.10 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2daq n LEU 42 CO 0.33 0.00 -0.51 0.29 -1.33 0.00 0.00 177.39 176.17 2daq n LYS 43 N -0.71 -2.86 0.00 3.23 5.02 -1.21 -5.07 118.16 116.56 2daq n LYS 43 Ca 0.00 2.33 0.00 0.00 -2.02 0.00 0.00 58.31 58.62 2daq n LYS 43 Cb 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 35.03 31.77 2daq n LYS 43 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2daq n HIS 44 N -3.70 -0.16 -3.85 2.13 8.25 -1.26 -5.08 115.22 111.55 2daq n HIS 44 Ca -0.07 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.31 2daq n HIS 44 Cb 0.54 0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.68 2daq n HIS 44 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2daq s ASP 45 N 1.80 -0.11 0.12 0.41 2.15 -1.26 -5.12 116.67 114.65 2daq s ASP 45 Ca 0.00 -0.88 -0.31 0.00 0.43 0.00 0.00 52.55 51.79 2daq s ASP 45 Cb 0.00 0.78 -0.10 0.00 -0.30 0.00 0.00 42.92 43.30 2daq s ASP 45 CO 0.00 -1.49 1.72 -0.76 -0.17 0.00 0.00 175.17 174.47 2daq s LEU 46 N -3.00 4.38 0.00 -1.34 1.43 -1.26 -4.01 118.68 114.88 2daq s LEU 46 Ca 0.14 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 2daq s LEU 46 Cb -0.05 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2daq s LEU 46 CO 0.09 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.35 2daq n GLY 47 N 4.06 1.49 2.26 -3.19 0.00 -1.26 -5.03 105.19 103.53 2daq n GLY 47 Ca 0.16 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.01 -4.54 1.61 8.00 -1.26 -4.62 116.55 115.74 2daq n ASP 48 Ca 0.00 0.75 -0.25 0.00 0.71 0.00 0.00 54.79 56.00 2daq n ASP 48 Cb 0.00 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 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 0.00 2.40 -0.01 1.24 -0.12 -1.18 -4.75 117.98 115.56 2daq s PHE 49 Ca 0.59 -0.44 -0.30 0.00 -0.05 0.00 0.00 56.93 56.72 2daq s PHE 49 Cb -0.82 -1.30 -0.04 0.00 -0.63 0.00 0.00 43.02 40.23 2daq s PHE 49 CO 0.37 0.61 1.20 -1.25 -0.05 0.00 0.00 175.22 176.10 2daq s PRO 50 N -3.60 4.38 0.22 1.99 0.04 -1.25 -3.85 135.00 132.94 2daq s PRO 50 Ca 0.32 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2daq s PRO 50 Cb 0.00 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2daq s PRO 50 CO 0.17 -0.38 0.04 0.14 0.04 0.00 0.00 177.00 177.01 2daq s VAL 51 N 1.81 0.72 -0.12 -0.36 -7.23 -1.23 0.19 120.40 114.18 2daq s VAL 51 Ca 0.57 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2daq s VAL 51 Cb -0.26 -2.39 0.02 0.00 0.56 0.00 0.00 36.38 34.31 2daq s VAL 51 CO 0.25 -0.25 -0.14 0.12 -0.31 0.00 0.00 175.10 174.77 2daq s PHE 52 N -3.63 2.02 -0.53 2.82 5.36 -1.15 -3.31 117.98 119.56 2daq s PHE 52 Ca 0.31 -1.03 -0.24 0.00 -0.96 0.00 0.00 56.93 55.01 2daq s PHE 52 Cb 0.07 -1.48 0.04 0.00 -0.34 0.00 0.00 43.02 41.31 2daq s PHE 52 CO 0.09 -0.55 0.91 -0.06 -1.46 0.00 0.00 175.22 174.15 2daq s PHE 53 N 1.20 2.84 1.08 10.12 0.40 -0.12 -3.08 117.98 130.42 2daq s PHE 53 Ca -0.02 0.04 -0.14 0.00 -0.60 0.00 0.00 56.93 56.21 2daq s PHE 53 Cb -0.14 -4.00 0.17 0.00 0.51 0.00 0.00 43.02 39.56 2daq s PHE 53 CO -0.05 -1.27 0.63 1.19 0.70 0.00 0.00 175.22 176.42 2daq n PHE 54 N 7.30 -1.00 0.00 0.36 3.72 -1.17 0.13 117.46 126.81 2daq n PHE 54 Ca 0.02 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2daq n PHE 54 Cb 0.48 -1.72 0.00 0.00 -0.94 0.00 0.00 39.48 37.29 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 1.28 1.24 0.08 1.37 0.00 -1.26 -4.00 105.19 103.90 2daq n GLY 55 Ca 0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 0.02 -2.53 1.61 4.64 -1.88 -3.45 113.55 111.96 2daq h SER 56 Ca 0.00 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.39 2daq h SER 56 Cb 0.00 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2daq h SER 56 CO 0.00 1.09 0.00 1.41 -0.87 0.00 0.00 176.83 178.46 2daq n HIS 57 N -4.56 0.00 -3.84 4.77 -0.00 0.36 -5.07 115.22 106.88 2daq n HIS 57 Ca -0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.46 2daq n HIS 57 Cb 0.53 -1.50 -0.13 0.00 -0.00 0.00 0.00 29.99 28.89 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 -2.23 -0.09 0.05 0.41 1.01 -1.19 -4.92 116.67 109.71 2daq s ASP 58 Ca 0.00 0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.39 2daq s ASP 58 Cb 0.00 0.21 -0.05 0.00 1.01 0.00 0.00 42.92 44.09 2daq s ASP 58 CO 0.00 -0.05 0.28 -0.31 0.21 0.00 0.00 175.17 175.29 2daq s TYR 59 N -0.03 3.54 -0.03 4.23 2.02 -1.26 -0.95 117.35 124.87 2daq s TYR 59 Ca -0.01 0.48 -0.18 0.00 -0.37 0.00 0.00 57.07 56.99 2daq s TYR 59 Cb -0.01 -1.93 0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2daq s TYR 59 CO 0.00 0.56 0.39 0.71 -1.57 0.00 0.00 175.55 175.65 2daq s TYR 60 N -1.44 -0.30 -0.34 2.71 2.02 -1.21 -4.99 117.35 113.80 2daq s TYR 60 Ca 0.33 0.51 -0.13 0.00 -0.37 0.00 0.00 57.07 57.41 2daq s TYR 60 Cb -0.13 0.16 -0.02 0.00 -0.40 0.00 0.00 41.96 41.58 2daq s TYR 60 CO 0.21 -0.42 0.26 -1.58 -1.57 0.00 0.00 175.55 172.45 2daq s TRP 61 N -1.17 3.23 -0.03 2.71 0.52 -1.26 -3.49 118.94 119.45 2daq s TRP 61 Ca -0.12 -0.18 0.00 0.00 0.02 0.00 0.00 56.10 55.82 2daq s TRP 61 Cb -0.04 -2.50 0.03 0.00 -1.15 0.00 0.00 33.47 29.81 2daq s TRP 61 CO 0.05 -0.36 0.01 0.14 0.02 0.00 0.00 176.95 176.81 2daq s VAL 62 N 1.76 0.10 1.02 4.03 -7.23 -1.25 -4.92 120.40 113.91 2daq s VAL 62 Ca 0.07 0.15 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 2daq s VAL 62 Cb -0.17 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 2daq s VAL 62 CO 0.11 0.14 -0.66 1.57 -0.31 0.00 0.00 175.10 175.94 2daq n HIS 63 N 4.27 -1.44 -4.17 2.82 -0.00 -1.26 -3.09 115.22 112.36 2daq n HIS 63 Ca -0.25 0.39 -0.32 0.00 0.46 0.00 0.00 57.72 58.01 2daq n HIS 63 Cb 0.50 -1.45 -0.08 0.00 -0.12 0.00 0.00 29.99 28.85 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 -2.72 2.91 0.00 1.57 -2.07 -1.26 -4.55 119.66 113.54 2daq s GLN 64 Ca 0.42 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.38 2daq s GLN 64 Cb -0.00 -2.75 0.00 0.00 -1.09 0.00 0.00 33.01 29.16 2daq s GLN 64 CO 0.59 0.62 0.00 0.41 -1.32 0.00 0.00 175.29 175.59 2daq n GLY 65 N 1.15 1.45 0.53 2.60 0.00 -1.26 -4.93 105.19 104.73 2daq n GLY 65 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.91 -3.87 1.61 1.74 -1.26 -4.97 116.66 110.81 2daq n ARG 66 Ca 0.00 -1.32 -0.35 0.00 -0.77 0.00 0.00 57.85 55.41 2daq n ARG 66 Cb 0.00 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.07 5.45 0.04 1.55 -7.23 -1.26 -4.29 120.40 113.58 2daq s VAL 67 Ca 0.16 0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.44 2daq s VAL 67 Cb 0.11 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 2daq s VAL 67 CO 0.16 0.48 -0.05 -0.36 -0.31 0.00 0.00 175.10 175.02 2daq s PHE 68 N -1.17 2.91 0.05 2.82 0.40 -0.98 -4.85 117.98 117.15 2daq s PHE 68 Ca 0.21 -0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.20 2daq s PHE 68 Cb -0.12 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 2daq s PHE 68 CO 0.11 0.42 1.17 -1.25 0.70 0.00 0.00 175.22 176.37 2daq s PRO 69 N -1.77 4.44 -0.20 0.24 0.04 -1.26 0.14 135.00 136.64 2daq s PRO 69 Ca 0.20 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 2daq s PRO 69 Cb -0.11 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 2daq s PRO 69 CO 0.11 -0.24 0.81 -0.47 0.04 0.00 0.00 177.00 177.25 2daq s TYR 70 N 1.13 3.37 0.55 0.56 6.14 -0.93 -4.85 117.35 123.32 2daq s TYR 70 Ca 0.58 1.18 0.01 0.00 0.64 0.00 0.00 57.07 59.48 2daq s TYR 70 Cb -0.28 -3.01 0.03 0.00 0.42 0.00 0.00 41.96 39.12 2daq s TYR 70 CO 0.29 -0.30 0.77 0.08 0.64 0.00 0.00 175.55 177.02 2daq s VAL 71 N 2.42 2.69 -0.25 3.14 1.01 -1.26 -4.93 120.40 123.22 2daq s VAL 71 Ca 0.36 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2daq s VAL 71 Cb -0.16 -3.01 0.06 0.00 0.00 0.00 0.00 36.38 33.27 2daq s VAL 71 CO 0.10 -0.01 -0.11 -0.70 0.00 0.00 0.00 175.10 174.39 2daq s GLU 72 N -4.75 2.18 -0.27 2.72 -6.30 -1.26 -4.84 118.70 106.18 2daq s GLU 72 Ca 0.57 -1.25 -0.09 0.00 -2.50 0.00 0.00 54.97 51.70 2daq s GLU 72 Cb -0.10 -2.81 0.01 0.00 0.00 0.00 0.00 34.13 31.23 2daq s GLU 72 CO 0.38 -0.55 0.36 0.41 0.02 0.00 0.00 175.26 175.88 2daq n GLY 73 N 4.48 -1.04 0.00 -1.50 0.00 -1.26 -5.06 105.19 100.81 2daq n GLY 73 Ca -0.14 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.46 0.00 -4.15 1.61 -0.08 -1.26 -4.98 116.55 107.23 2daq n ASP 74 Ca 0.06 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.93 2daq n ASP 74 Cb 0.29 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.73 2daq n ASP 74 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2daq n LYS 75 N 0.00 -0.52 -3.66 -0.67 4.76 -1.26 -4.93 118.16 111.88 2daq n LYS 75 Ca 0.00 0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.43 2daq n LYS 75 Cb 0.00 -2.89 -0.08 0.00 -1.84 0.00 0.00 35.03 30.22 2daq n LYS 75 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2daq s SER 76 N -3.80 -0.74 0.14 4.39 0.15 -1.26 -5.05 113.70 107.53 2daq s SER 76 Ca 0.34 1.25 0.00 0.00 0.70 0.00 0.00 55.95 58.24 2daq s SER 76 Cb -0.19 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 2daq s SER 76 CO 0.98 -0.22 0.00 0.49 1.20 0.00 0.00 173.24 175.69 2daq n PHE 77 N 3.98 -2.67 0.08 3.44 3.72 -1.26 -4.77 117.46 119.98 2daq n PHE 77 Ca -0.20 0.49 0.00 0.00 -0.05 0.00 0.00 57.45 57.69 2daq n PHE 77 Cb 0.57 1.47 0.00 0.00 -0.94 0.00 0.00 39.48 40.58 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2daq n ALA 78 N -2.67 0.00 -3.75 4.37 0.00 -1.26 -5.00 120.51 112.21 2daq n ALA 78 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 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 -2.70 -1.54 0.08 0.00 1.02 -1.26 -4.90 120.64 111.34 2daq n GLU 79 Ca 0.00 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2daq n GLU 79 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 28.95 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 -1.64 -0.15 0.83 0.62 0.00 -1.26 -5.14 105.19 98.45 2daq n GLY 80 Ca -0.30 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.25 -1.35 -2.94 1.61 6.02 -1.26 -4.96 117.38 111.26 2daq n GLN 81 Ca 0.00 0.89 -0.14 0.00 -0.01 0.00 0.00 57.00 57.74 2daq n GLN 81 Cb 0.00 -1.64 0.01 0.00 1.02 0.00 0.00 30.24 29.63 2daq n GLN 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2daq n THR 82 N -2.50 -2.35 -3.54 5.09 -2.24 -1.26 -4.97 114.28 102.51 2daq n THR 82 Ca 0.00 0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.84 2daq n THR 82 Cb 0.30 -2.73 -0.15 0.00 -2.10 0.00 0.00 70.33 65.66 2daq n THR 82 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2daq s SER 83 N -1.01 1.92 0.04 3.42 0.01 -1.26 -5.05 113.70 111.77 2daq s SER 83 Ca 0.14 -0.47 -0.14 0.00 1.31 0.00 0.00 55.95 56.79 2daq s SER 83 Cb -0.01 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.22 2daq s SER 83 CO 0.31 -0.34 1.22 0.40 0.41 0.00 0.00 173.24 175.24 2daq h ILE 84 N 6.36 0.00 -3.62 1.44 5.03 -2.06 -3.43 117.51 121.24 2daq h ILE 84 Ca -0.16 0.00 -0.48 0.00 -0.12 0.00 0.00 64.86 64.10 2daq h ILE 84 Cb 1.14 0.00 0.05 0.00 -3.03 0.00 0.00 36.82 34.98 2daq h ILE 84 CO 0.29 0.00 0.16 0.54 -0.68 0.00 0.00 178.15 178.47 2daq s ASN 85 N -3.19 5.71 -0.75 1.72 2.20 -1.26 -5.00 114.94 114.37 2daq s ASN 85 Ca -0.07 0.74 0.01 0.00 -0.94 0.00 0.00 52.86 52.60 2daq s ASN 85 Cb 0.02 -1.79 0.36 0.00 -2.00 0.00 0.00 41.25 37.84 2daq s ASN 85 CO 0.24 -0.98 1.61 1.17 -2.94 0.00 0.00 177.10 176.21 2daq n LYS 86 N -2.52 3.57 -0.10 3.55 3.00 -1.26 -4.62 118.16 119.78 2daq n LYS 86 Ca 0.04 -4.20 -0.24 0.00 -0.00 0.00 0.00 58.31 53.91 2daq n LYS 86 Cb 0.57 -2.30 -0.11 0.00 0.00 0.00 0.00 35.03 33.18 2daq n LYS 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2daq n THR 87 N -0.38 1.57 -0.26 3.15 -1.04 -1.26 -3.96 114.28 112.10 2daq n THR 87 Ca 0.46 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.05 62.14 2daq n THR 87 Cb 0.37 -1.86 0.06 0.00 -1.82 0.00 0.00 70.33 67.07 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 -0.70 -0.67 -0.40 -1.42 3.57 -1.96 0.40 116.94 115.76 2daq h PHE 88 Ca -0.51 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2daq h PHE 88 Cb 1.60 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 40.70 2daq h PHE 88 CO 0.02 -0.36 0.13 -0.22 -2.23 0.00 0.00 178.31 175.65 2daq h LYS 89 N -0.06 0.27 -0.90 1.11 3.64 -1.92 0.35 116.57 119.06 2daq h LYS 89 Ca 0.32 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.78 2daq h LYS 89 Cb 0.56 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 2daq h LYS 89 CO -0.77 0.18 0.54 -0.22 -2.27 0.00 0.00 179.45 176.90 2daq h LYS 90 N 0.28 0.86 -0.54 1.90 3.64 -0.53 0.30 116.57 122.48 2daq h LYS 90 Ca 0.18 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2daq h LYS 90 Cb 0.18 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2daq h LYS 90 CO -0.20 0.57 -0.08 0.00 -2.27 0.00 0.00 179.45 177.46 2daq h ALA 91 N 1.49 0.74 0.26 5.00 0.00 0.11 -1.16 119.26 125.69 2daq h ALA 91 Ca 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2daq h ALA 91 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2daq h ALA 91 CO -0.25 0.63 -0.13 -0.07 0.00 0.00 0.00 179.25 179.43 2daq h LEU 92 N 0.88 -0.32 0.02 0.00 3.38 0.17 0.37 115.31 119.81 2daq h LEU 92 Ca 0.14 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2daq h LEU 92 Cb 0.65 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2daq h LEU 92 CO 0.04 -0.22 -0.25 -0.33 0.09 0.00 0.00 178.44 177.77 2daq h GLU 93 N -0.36 -0.39 -0.03 1.13 5.08 -0.41 -1.19 114.58 118.41 2daq h GLU 93 Ca -0.03 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2daq h GLU 93 Cb 0.29 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2daq h GLU 93 CO 0.05 -0.26 -0.19 0.93 -1.00 0.00 0.00 179.01 178.54 2daq h GLU 94 N -0.40 -0.28 -0.97 2.33 5.08 -1.04 -0.61 114.58 118.68 2daq h GLU 94 Ca 0.06 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.71 2daq h GLU 94 Cb 0.48 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 2daq h GLU 94 CO -0.21 -0.19 0.50 0.00 -1.00 0.00 0.00 179.01 178.11 2daq h ALA 95 N 0.63 1.74 0.91 3.43 0.00 0.16 0.74 119.26 126.87 2daq h ALA 95 Ca 0.07 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2daq h ALA 95 Cb 0.38 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2daq h ALA 95 CO -0.20 -0.46 -0.44 0.00 0.00 0.00 0.00 179.25 178.16 2daq h ALA 96 N 1.80 -1.22 -0.44 0.00 0.00 0.09 -2.29 119.26 117.20 2daq h ALA 96 Ca 0.66 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.35 2daq h ALA 96 Cb 1.41 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.61 2daq h ALA 96 CO -0.58 -1.13 -0.26 1.17 0.00 0.00 0.00 179.25 178.45 2daq n LYS 97 N -5.58 -0.19 -0.33 0.00 3.00 0.14 -0.76 118.16 114.43 2daq n LYS 97 Ca -0.15 1.22 -0.09 0.00 -0.00 0.00 0.00 58.31 59.29 2daq n LYS 97 Cb 0.48 -1.81 -0.08 0.00 0.00 0.00 0.00 35.03 33.62 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 -3.98 -0.35 -0.38 1.64 5.12 -0.50 0.18 116.66 118.39 2daq n ARG 98 Ca 0.01 1.39 0.31 0.00 -1.93 0.00 0.00 57.85 57.63 2daq n ARG 98 Cb 0.11 -2.05 0.61 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 0.46 0.03 -1.55 3.57 -0.43 1.47 116.94 120.50 2daq h PHE 99 Ca 0.13 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.42 2daq h PHE 99 Cb 0.32 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2daq h PHE 99 CO -1.00 -0.04 -1.03 1.96 -2.23 0.00 0.00 178.31 175.97 2daq h GLN 100 N 0.21 0.08 0.15 1.11 1.08 0.40 -3.18 115.11 114.95 2daq h GLN 100 Ca 0.68 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.74 2daq h GLN 100 Cb 2.09 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 29.56 2daq h GLN 100 CO -0.27 1.03 -0.07 0.93 -0.95 0.00 0.00 178.83 179.50 2daq h GLU 101 N 0.03 -0.19 -0.47 1.46 5.08 0.79 -0.46 114.58 120.82 2daq h GLU 101 Ca -0.04 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2daq h GLU 101 Cb 1.77 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.99 2daq h GLU 101 CO 0.15 0.25 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.92 2daq h LEU 102 N -0.88 -1.43 -0.06 1.33 4.07 0.21 1.13 115.31 119.68 2daq h LEU 102 Ca -0.02 0.20 0.02 0.00 0.08 0.00 0.00 57.88 58.16 2daq h LEU 102 Cb 0.53 0.61 -0.03 0.00 1.08 0.00 0.00 40.66 42.85 2daq h LEU 102 CO 0.03 -0.24 -0.08 0.07 -1.08 0.00 0.00 178.44 177.14 2daq h LYS 103 N -0.17 -0.11 -0.53 1.13 2.10 -1.67 -2.58 116.57 114.74 2daq h LYS 103 Ca 0.08 0.01 0.08 0.00 -2.00 0.00 0.00 60.65 58.81 2daq h LYS 103 Cb 0.37 0.02 -0.10 0.00 -0.90 0.00 0.00 32.23 31.63 2daq h LYS 103 CO -0.53 -0.07 -0.46 0.00 -2.00 0.00 0.00 179.45 176.39 2daq h ALA 104 N 0.93 -0.42 0.00 0.07 0.00 0.71 -3.46 119.26 117.10 2daq h ALA 104 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2daq h ALA 104 Cb 0.19 0.98 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2daq h ALA 104 CO -0.13 -0.87 0.00 0.45 0.00 0.00 0.00 179.25 178.70 2daq n SER 105 N -5.40 -0.04 0.00 0.00 2.88 0.37 -5.06 113.62 106.37 2daq n SER 105 Ca 0.01 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2daq n SER 105 Cb 0.35 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.45 0.20 0.02 0.46 0.00 -1.06 -4.69 105.19 98.66 2daq n GLY 106 Ca 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 2daq n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daq h PRO 107 N 0.00 -0.03 -6.24 1.61 0.13 -1.97 -3.46 132.00 122.04 2daq h PRO 107 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 2daq h PRO 107 Cb 0.00 0.01 0.11 0.00 0.13 0.00 0.00 31.00 31.24 2daq h PRO 107 CO 0.00 -0.02 -0.15 0.45 -0.23 0.00 0.00 178.00 178.05 2daq n SER 108 N -2.27 0.14 0.10 1.44 2.88 -1.26 -4.73 113.62 109.92 2daq n SER 108 Ca -0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2daq n SER 108 Cb 0.01 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 2daq n SER 108 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2daq n SER 109 N 1.63 -1.71 0.00 -3.46 2.88 -1.26 -5.15 113.62 106.55 2daq n SER 109 Ca 0.14 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2daq n SER 109 Cb 0.28 1.82 0.00 0.00 -0.75 0.00 0.00 64.21 65.55 2daq n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42