#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 6.33 -0.03 1.61 0.15 -1.26 -4.56 113.70 115.93 2daq s SER 2 Ca 0.00 -1.06 -0.03 0.00 0.70 0.00 0.00 55.95 55.56 2daq s SER 2 Cb 0.00 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.81 2daq s SER 2 CO 0.00 -1.56 0.06 -1.20 1.20 0.00 0.00 173.24 171.74 2daq n SER 3 N 8.55 -5.13 0.00 5.45 7.64 -1.26 -5.09 113.62 123.78 2daq n SER 3 Ca 0.14 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2daq n SER 3 Cb 0.49 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 2daq n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daq n GLY 4 N 1.25 3.99 3.31 0.23 0.00 -1.26 -5.10 105.19 107.60 2daq n GLY 4 Ca -0.10 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 5.47 -0.30 1.61 0.01 -1.26 -4.89 113.70 114.34 2daq s SER 5 Ca 0.00 -1.10 -0.16 0.00 1.31 0.00 0.00 55.95 56.00 2daq s SER 5 Cb 0.00 -1.93 0.18 0.00 0.21 0.00 0.00 66.02 64.48 2daq s SER 5 CO 0.00 -0.35 1.16 -0.44 0.41 0.00 0.00 173.24 174.01 2daq s SER 6 N 1.47 -0.26 0.00 2.44 0.01 -1.26 -5.16 113.70 110.94 2daq s SER 6 Ca -0.00 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.49 2daq s SER 6 Cb -0.19 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.28 2daq s SER 6 CO 0.04 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2daq n GLY 7 N 5.19 0.06 3.69 3.44 0.00 -1.26 -5.09 105.19 111.22 2daq n GLY 7 Ca -0.08 -1.07 -0.51 0.00 0.00 0.00 0.00 46.02 44.37 2daq n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2daq n LYS 8 N 0.00 1.91 -1.75 1.61 4.81 -1.26 -4.86 118.16 118.62 2daq n LYS 8 Ca 0.00 0.70 -0.42 0.00 -0.87 0.00 0.00 58.31 57.72 2daq n LYS 8 Cb 0.00 -2.50 -0.01 0.00 0.02 0.00 0.00 35.03 32.54 2daq n LYS 8 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2daq n LEU 9 N 6.13 4.48 -4.94 3.14 4.77 -1.26 -4.99 117.00 124.34 2daq n LEU 9 Ca 0.23 1.19 -0.27 0.00 -0.03 0.00 0.00 56.01 57.13 2daq n LEU 9 Cb 0.25 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 39.71 2daq n LEU 9 CO 0.75 0.11 -0.07 -1.00 -1.33 0.00 0.00 177.39 175.84 2daq s HIS 10 N -0.56 3.49 1.27 -1.77 3.76 -1.26 -5.09 115.29 115.13 2daq s HIS 10 Ca 0.59 0.17 -0.19 0.00 -0.15 0.00 0.00 55.06 55.48 2daq s HIS 10 Cb -0.49 -1.71 0.29 0.00 1.11 0.00 0.00 32.58 31.77 2daq s HIS 10 CO 0.56 0.49 0.67 0.66 -0.85 0.00 0.00 174.74 176.27 2daq n TYR 11 N -0.54 -2.75 -3.88 1.40 4.01 -1.26 -3.99 117.16 110.15 2daq n TYR 11 Ca -0.06 -0.40 -0.31 0.00 -0.16 0.00 0.00 57.90 56.97 2daq n TYR 11 Cb 0.54 -1.44 0.01 0.00 -0.31 0.00 0.00 39.34 38.14 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 -4.26 -1.15 -3.67 -0.72 4.76 0.30 -4.94 118.16 108.48 2daq n LYS 12 Ca 0.08 0.55 -0.09 0.00 -2.87 0.00 0.00 58.31 55.98 2daq n LYS 12 Cb 0.53 -2.35 -0.10 0.00 -1.84 0.00 0.00 35.03 31.28 2daq n LYS 12 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2daq s GLN 13 N -5.70 0.36 0.01 1.97 0.74 -1.21 -4.97 119.66 110.85 2daq s GLN 13 Ca 0.15 0.98 -0.30 0.00 0.05 0.00 0.00 55.36 56.24 2daq s GLN 13 Cb -0.08 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 2daq s GLN 13 CO 0.92 -0.22 1.15 0.42 -0.55 0.00 0.00 175.29 177.01 2daq s ILE 14 N 2.27 4.28 0.17 -2.34 -1.09 -1.26 -0.90 121.20 122.32 2daq s ILE 14 Ca -0.04 1.62 -0.09 0.00 -2.23 0.00 0.00 60.65 59.92 2daq s ILE 14 Cb -0.11 -4.04 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 2daq s ILE 14 CO -0.13 0.08 0.29 0.68 -1.23 0.00 0.00 174.94 174.63 2daq s VAL 15 N 1.47 0.06 0.38 2.92 -7.23 0.20 -2.60 120.40 115.61 2daq s VAL 15 Ca 0.56 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2daq s VAL 15 Cb -0.26 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2daq s VAL 15 CO 0.26 -0.26 0.62 0.26 -0.31 0.00 0.00 175.10 175.66 2daq s TRP 16 N -3.98 3.52 0.09 2.82 0.52 0.09 -0.14 118.94 121.85 2daq s TRP 16 Ca 0.19 0.48 0.09 0.00 0.02 0.00 0.00 56.10 56.88 2daq s TRP 16 Cb 0.03 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2daq s TRP 16 CO 0.01 0.01 -0.24 0.54 0.02 0.00 0.00 176.95 177.29 2daq s VAL 17 N -2.44 1.98 -0.26 4.03 0.11 0.25 -3.28 120.40 120.80 2daq s VAL 17 Ca 0.42 -1.50 -0.09 0.00 -2.93 0.00 0.00 61.98 57.87 2daq s VAL 17 Cb -0.10 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2daq s VAL 17 CO 0.38 0.15 0.13 -0.75 -3.33 0.00 0.00 175.10 171.68 2daq s LYS 18 N -1.64 3.83 -0.07 1.54 2.20 -1.25 -2.13 119.74 122.21 2daq s LYS 18 Ca 0.10 -0.39 -0.09 0.00 -0.36 0.00 0.00 55.97 55.24 2daq s LYS 18 Cb -0.10 -3.49 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2daq s LYS 18 CO 0.04 -0.15 -0.17 1.28 -0.36 0.00 0.00 175.35 175.98 2daq n LEU 19 N 4.90 1.11 0.00 5.43 4.77 -1.07 -5.04 117.00 127.11 2daq n LEU 19 Ca -0.15 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 2daq n LEU 19 Cb 0.52 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2daq n LEU 19 CO 0.32 -0.43 0.17 0.61 -1.33 0.00 0.00 177.39 176.74 2daq n GLY 20 N 1.96 1.79 3.67 -0.72 0.00 -1.24 -5.06 105.19 105.58 2daq n GLY 20 Ca -0.07 -1.15 -0.57 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.30 1.84 -3.60 1.61 4.13 -1.26 -2.09 115.26 114.59 2daq n ASN 21 Ca -0.03 1.11 -0.25 0.00 1.68 0.00 0.00 54.58 57.10 2daq n ASN 21 Cb 0.21 -1.10 0.01 0.00 -1.54 0.00 0.00 39.78 37.36 2daq n ASN 21 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2daq n TYR 22 N 4.11 -2.37 -2.83 3.10 4.01 -1.26 -4.97 117.16 116.95 2daq n TYR 22 Ca 0.24 0.97 -0.01 0.00 -0.16 0.00 0.00 57.90 58.94 2daq n TYR 22 Cb 0.12 -2.74 0.01 0.00 -0.31 0.00 0.00 39.34 36.42 2daq n TYR 22 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2daq s ARG 23 N -4.04 0.48 -0.08 -0.72 3.52 -0.89 -5.12 118.95 112.11 2daq s ARG 23 Ca 0.10 -0.32 -0.02 0.00 -0.13 0.00 0.00 55.73 55.36 2daq s ARG 23 Cb -0.01 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 2daq s ARG 23 CO 0.87 -0.64 0.02 -1.58 -0.81 0.00 0.00 175.30 173.16 2daq s TRP 24 N 1.46 3.21 0.01 5.12 0.52 -1.26 -2.58 118.94 125.42 2daq s TRP 24 Ca 0.20 0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.58 2daq s TRP 24 Cb 0.04 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2daq s TRP 24 CO -0.10 0.50 -0.13 -0.46 0.02 0.00 0.00 176.95 176.78 2daq s TRP 25 N -0.94 1.18 0.33 -1.98 -0.11 -0.90 -4.94 118.94 111.58 2daq s TRP 25 Ca 0.15 -0.27 -0.27 0.00 1.22 0.00 0.00 56.10 56.92 2daq s TRP 25 Cb -0.11 -0.73 -0.09 0.00 -1.50 0.00 0.00 33.47 31.03 2daq s TRP 25 CO 0.04 0.00 1.07 -1.25 -4.62 0.00 0.00 176.95 172.19 2daq s PRO 26 N -0.64 4.45 0.18 5.86 0.04 -1.26 0.86 135.00 144.48 2daq s PRO 26 Ca 0.03 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 2daq s PRO 26 Cb -0.06 -2.92 0.04 0.00 0.04 0.00 0.00 34.50 31.60 2daq s PRO 26 CO 0.00 0.08 0.54 0.00 0.04 0.00 0.00 177.00 177.66 2daq s ALA 27 N -1.37 -1.19 -0.05 8.56 0.00 0.80 -3.07 121.76 125.45 2daq s ALA 27 Ca 0.50 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.53 2daq s ALA 27 Cb -0.28 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.69 2daq s ALA 27 CO 0.35 -0.78 -0.12 -2.00 0.00 0.00 0.00 175.76 173.21 2daq s GLU 28 N -3.82 1.48 0.08 0.00 2.12 -0.85 0.63 118.70 118.33 2daq s GLU 28 Ca 0.05 -0.42 -0.31 0.00 0.36 0.00 0.00 54.97 54.66 2daq s GLU 28 Cb -0.01 -1.28 -0.07 0.00 0.26 0.00 0.00 34.13 33.04 2daq s GLU 28 CO -0.07 0.10 1.33 0.42 -0.54 0.00 0.00 175.26 176.50 2daq s ILE 29 N 0.39 3.60 0.25 -3.70 1.01 -0.08 -1.08 121.20 121.59 2daq s ILE 29 Ca -0.09 1.12 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2daq s ILE 29 Cb -0.13 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2daq s ILE 29 CO 0.02 0.07 0.10 0.00 0.00 0.00 0.00 174.94 175.13 2daq s ASN 31 N -2.44 5.50 0.43 0.00 -0.87 -1.26 -4.30 114.94 112.00 2daq s ASN 31 Ca 0.07 -0.17 0.24 0.00 -1.57 0.00 0.00 52.86 51.43 2daq s ASN 31 Cb -0.01 -1.42 0.70 0.00 -0.02 0.00 0.00 41.25 40.50 2daq s ASN 31 CO 0.05 0.04 1.73 1.55 -2.57 0.00 0.00 177.10 177.90 2daq h PRO 32 N 2.16 0.00 0.00 -0.60 0.13 -1.92 -2.44 132.00 129.33 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 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2daq h PRO 32 CO 0.62 0.18 -0.26 0.54 -0.23 0.00 0.00 178.00 178.85 2daq n ARG 33 N -3.23 0.08 -0.10 0.86 5.12 -1.26 -3.96 116.66 114.17 2daq n ARG 33 Ca 0.02 0.04 -0.20 0.00 -1.93 0.00 0.00 57.85 55.78 2daq n ARG 33 Cb 0.49 -1.57 -0.09 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.70 1.87 -4.62 0.55 2.88 -1.03 -4.95 113.62 106.62 2daq n SER 34 Ca 0.06 0.44 -0.33 0.00 -1.33 0.00 0.00 58.87 57.71 2daq n SER 34 Cb 0.37 -0.92 0.13 0.00 -0.75 0.00 0.00 64.21 63.03 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 -4.44 1.24 -2.53 2.46 0.24 -0.95 -4.95 118.33 109.40 2daq n VAL 35 Ca -0.31 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.34 61.46 2daq n VAL 35 Cb 0.64 -1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 31.95 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 -4.03 4.07 0.49 7.34 0.04 -1.26 -4.83 135.00 136.82 2daq s PRO 36 Ca 0.69 1.49 0.38 0.00 0.04 0.00 0.00 61.00 63.59 2daq s PRO 36 Cb -0.27 -2.43 1.56 0.00 0.04 0.00 0.00 34.50 33.39 2daq s PRO 36 CO 0.56 -0.22 1.61 -0.07 0.04 0.00 0.00 177.00 178.91 2daq h LEU 37 N 2.26 0.14 -0.73 -3.56 -0.00 -1.92 0.85 115.31 112.35 2daq h LEU 37 Ca -0.49 0.09 0.14 0.00 -0.00 0.00 0.00 57.88 57.62 2daq h LEU 37 Cb 1.22 0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 41.82 2daq h LEU 37 CO 0.61 -0.13 -0.20 0.78 -0.00 0.00 0.00 178.44 179.51 2daq h ASN 38 N 0.03 -0.73 -0.08 -0.43 4.21 -2.00 0.80 115.58 117.39 2daq h ASN 38 Ca 0.86 0.22 -0.04 0.00 1.21 0.00 0.00 56.30 58.55 2daq h ASN 38 Cb 3.02 0.47 -0.00 0.00 -1.12 0.00 0.00 38.32 40.69 2daq h ASN 38 CO -0.27 -0.25 -0.12 0.40 -1.29 0.00 0.00 177.43 175.91 2daq h ILE 39 N -0.01 1.39 -0.34 2.81 1.08 0.37 -2.83 117.51 119.98 2daq h ILE 39 Ca 0.34 -1.36 0.10 0.00 -0.39 0.00 0.00 64.86 63.55 2daq h ILE 39 Cb 0.54 2.11 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 2daq h ILE 39 CO -0.75 0.38 0.48 1.56 -0.69 0.00 0.00 178.15 179.13 2daq h GLN 40 N -0.24 0.00 0.00 2.37 4.20 -0.56 0.85 115.11 121.73 2daq h GLN 40 Ca 0.01 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 2daq h GLN 40 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2daq h GLN 40 CO 0.03 0.00 -0.41 0.78 -0.67 0.00 0.00 178.83 178.56 2daq h GLY 41 N 0.00 0.00 -4.85 3.46 0.00 0.77 -3.44 103.07 99.00 2daq h GLY 41 Ca 0.16 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.89 2daq h GLY 41 CO -0.00 0.00 0.59 1.04 0.00 0.00 0.00 176.54 178.16 2daq n LEU 42 N -3.87 2.72 -4.77 3.11 4.77 0.29 -4.93 117.00 114.33 2daq n LEU 42 Ca -0.01 1.13 -0.39 0.00 -0.03 0.00 0.00 56.01 56.70 2daq n LEU 42 Cb 0.46 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.13 2daq n LEU 42 CO 0.38 -0.62 0.45 -1.59 -1.33 0.00 0.00 177.39 174.68 2daq s LYS 43 N -0.02 4.50 0.26 3.23 -2.85 -1.26 -5.03 119.74 118.57 2daq s LYS 43 Ca 0.73 1.08 -0.13 0.00 -1.00 0.00 0.00 55.97 56.64 2daq s LYS 43 Cb -0.72 -3.29 0.05 0.00 -2.06 0.00 0.00 37.83 31.82 2daq s LYS 43 CO 0.47 0.49 0.69 -2.39 0.10 0.00 0.00 175.35 174.71 2daq n HIS 44 N 1.98 -1.82 -3.90 1.78 1.44 -1.26 -5.04 115.22 108.41 2daq n HIS 44 Ca -0.05 -1.34 -0.24 0.00 -2.01 0.00 0.00 57.72 54.08 2daq n HIS 44 Cb 0.49 0.66 -0.04 0.00 0.12 0.00 0.00 29.99 31.22 2daq n HIS 44 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2daq s ASP 45 N -2.74 4.67 -0.96 4.39 1.01 -1.26 -5.02 116.67 116.75 2daq s ASP 45 Ca 0.14 -1.02 -0.24 0.00 0.71 0.00 0.00 52.55 52.14 2daq s ASP 45 Cb -0.03 -0.27 -0.02 0.00 1.01 0.00 0.00 42.92 43.61 2daq s ASP 45 CO 0.08 -0.72 1.79 -0.22 0.21 0.00 0.00 175.17 176.30 2daq s LEU 46 N -4.07 3.28 0.00 1.23 2.96 -1.26 -3.89 118.68 116.93 2daq s LEU 46 Ca 0.41 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 2daq s LEU 46 Cb 0.00 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2daq s LEU 46 CO 0.24 -2.34 0.00 0.61 -1.32 0.00 0.00 176.35 173.53 2daq n GLY 47 N 6.77 -2.34 3.16 7.98 0.00 -1.26 -5.15 105.19 114.36 2daq n GLY 47 Ca 0.38 0.78 -0.35 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.99 -2.96 -4.03 1.61 8.00 -1.25 -4.84 116.55 112.10 2daq n ASP 48 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 2daq n ASP 48 Cb 0.00 -0.80 -0.09 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.14 0.46 -0.14 1.24 -0.71 -1.01 -4.88 117.98 110.79 2daq s PHE 49 Ca 0.47 -0.94 -0.29 0.00 -1.04 0.00 0.00 56.93 55.13 2daq s PHE 49 Cb -0.05 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.45 2daq s PHE 49 CO 0.68 -0.47 1.26 -1.25 -1.34 0.00 0.00 175.22 174.10 2daq s PRO 50 N -3.93 4.25 0.05 1.99 0.04 -1.26 -3.48 135.00 132.66 2daq s PRO 50 Ca 0.10 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.87 2daq s PRO 50 Cb 0.07 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2daq s PRO 50 CO -0.08 -0.66 -0.15 0.14 0.04 0.00 0.00 177.00 176.29 2daq s VAL 51 N 3.28 1.17 -0.20 -0.36 -7.23 -1.08 0.50 120.40 116.47 2daq s VAL 51 Ca 0.55 -1.09 -0.05 0.00 -1.81 0.00 0.00 61.98 59.58 2daq s VAL 51 Cb -0.23 -1.07 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 2daq s VAL 51 CO 0.16 -0.03 -0.01 0.12 -0.31 0.00 0.00 175.10 175.03 2daq s PHE 52 N -0.94 3.01 -0.24 2.82 5.36 -0.24 -2.28 117.98 125.46 2daq s PHE 52 Ca 0.01 -0.56 -0.22 0.00 -0.96 0.00 0.00 56.93 55.20 2daq s PHE 52 Cb -0.08 -2.09 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2daq s PHE 52 CO 0.02 -0.31 0.71 -0.06 -1.46 0.00 0.00 175.22 174.11 2daq s PHE 53 N 1.11 3.30 0.98 10.12 0.40 -0.63 -2.01 117.98 131.25 2daq s PHE 53 Ca 0.02 0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 57.18 2daq s PHE 53 Cb -0.14 -2.92 0.18 0.00 0.51 0.00 0.00 43.02 40.65 2daq s PHE 53 CO 0.01 -0.34 1.09 -0.06 0.70 0.00 0.00 175.22 176.62 2daq s PHE 54 N 2.58 1.89 0.00 0.36 0.08 -1.17 0.15 117.98 121.87 2daq s PHE 54 Ca 0.30 1.35 0.00 0.00 0.12 0.00 0.00 56.93 58.70 2daq s PHE 54 Cb -0.15 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2daq s PHE 54 CO 0.08 -2.90 0.00 0.41 -0.10 0.00 0.00 175.22 172.71 2daq n GLY 55 N -0.30 1.46 0.07 4.36 0.00 -1.26 -4.16 105.19 105.35 2daq n GLY 55 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2daq n GLY 55 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2daq h SER 56 N 0.00 0.00 -2.49 1.61 0.87 -1.92 -3.48 113.55 108.14 2daq h SER 56 Ca 0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 2daq h SER 56 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2daq h SER 56 CO 0.00 0.99 0.00 1.41 -0.53 0.00 0.00 176.83 178.70 2daq n HIS 57 N -4.61 0.00 -3.84 2.24 -0.00 0.12 -5.08 115.22 104.05 2daq n HIS 57 Ca -0.12 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.48 2daq n HIS 57 Cb 0.43 -1.40 -0.12 0.00 -0.00 0.00 0.00 29.99 28.91 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 -2.15 -0.09 0.06 0.41 1.01 -1.21 -4.95 116.67 109.75 2daq s ASP 58 Ca 0.00 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.32 2daq s ASP 58 Cb 0.00 0.27 -0.05 0.00 1.01 0.00 0.00 42.92 44.15 2daq s ASP 58 CO 0.00 -0.15 0.32 -0.31 0.21 0.00 0.00 175.17 175.24 2daq s TYR 59 N -0.39 3.55 0.07 4.23 2.02 -1.26 -1.60 117.35 123.98 2daq s TYR 59 Ca -0.05 0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 57.11 2daq s TYR 59 Cb -0.03 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.53 2daq s TYR 59 CO 0.01 0.55 0.35 0.71 -1.57 0.00 0.00 175.55 175.60 2daq s TYR 60 N -1.41 -0.16 -0.33 2.71 2.02 -0.97 -4.98 117.35 114.24 2daq s TYR 60 Ca 0.32 -0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 56.88 2daq s TYR 60 Cb -0.13 0.17 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 2daq s TYR 60 CO 0.19 -0.59 0.17 -1.58 -1.57 0.00 0.00 175.55 172.16 2daq s TRP 61 N -3.08 3.19 -0.01 2.71 0.52 -1.26 -2.63 118.94 118.39 2daq s TRP 61 Ca -0.01 -0.67 0.04 0.00 0.02 0.00 0.00 56.10 55.47 2daq s TRP 61 Cb 0.01 -2.38 -0.01 0.00 -1.15 0.00 0.00 33.47 29.94 2daq s TRP 61 CO -0.07 -0.51 -0.13 0.14 0.02 0.00 0.00 176.95 176.41 2daq s VAL 62 N 1.60 0.99 0.00 4.03 -7.23 -1.23 -4.89 120.40 113.66 2daq s VAL 62 Ca 0.04 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 2daq s VAL 62 Cb -0.18 -0.83 0.00 0.00 0.56 0.00 0.00 36.38 35.93 2daq s VAL 62 CO 0.06 0.26 0.00 0.00 -0.31 0.00 0.00 175.10 175.11 2daq n HIS 63 N 2.71 -1.51 -4.29 2.82 1.44 -1.26 -2.41 115.22 112.73 2daq n HIS 63 Ca -0.14 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.31 2daq n HIS 63 Cb 0.56 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.37 2.14 0.00 -1.40 -2.07 -1.26 -4.61 119.66 111.09 2daq s GLN 64 Ca 0.00 -1.31 0.00 0.00 -1.82 0.00 0.00 55.36 52.23 2daq s GLN 64 Cb 0.00 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.75 2daq s GLN 64 CO 0.00 0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.80 2daq n GLY 65 N -0.24 0.49 0.00 2.60 0.00 -1.26 -4.89 105.19 101.89 2daq n GLY 65 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 1.68 -4.15 1.61 1.74 -1.26 -4.97 116.66 109.31 2daq n ARG 66 Ca 0.00 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.67 2daq n ARG 66 Cb 0.00 -1.12 -0.08 0.00 -1.02 0.00 0.00 32.46 30.24 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 -2.37 4.76 0.21 1.55 -7.23 -1.26 -3.93 120.40 112.14 2daq s VAL 67 Ca -0.01 -0.07 0.08 0.00 -1.81 0.00 0.00 61.98 60.17 2daq s VAL 67 Cb 0.07 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 2daq s VAL 67 CO 0.39 0.58 0.02 -0.36 -0.31 0.00 0.00 175.10 175.42 2daq s PHE 68 N -0.66 2.83 -0.09 2.82 0.08 -1.21 -4.83 117.98 116.93 2daq s PHE 68 Ca 0.11 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.71 2daq s PHE 68 Cb -0.12 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 40.98 2daq s PHE 68 CO 0.02 0.55 1.24 -1.25 -0.10 0.00 0.00 175.22 175.68 2daq s PRO 69 N -3.25 4.30 -0.39 0.24 0.04 -1.26 -0.73 135.00 133.95 2daq s PRO 69 Ca 0.29 1.69 -0.27 0.00 0.04 0.00 0.00 61.00 62.76 2daq s PRO 69 Cb -0.08 -3.63 0.02 0.00 0.04 0.00 0.00 34.50 30.84 2daq s PRO 69 CO 0.20 -0.55 0.98 -0.47 0.04 0.00 0.00 177.00 177.20 2daq s TYR 70 N 2.69 3.03 0.83 0.56 6.14 -1.07 -4.91 117.35 124.62 2daq s TYR 70 Ca 0.56 0.78 -0.12 0.00 0.64 0.00 0.00 57.07 58.93 2daq s TYR 70 Cb -0.24 -3.80 0.09 0.00 0.42 0.00 0.00 41.96 38.43 2daq s TYR 70 CO 0.20 -0.91 1.14 0.08 0.64 0.00 0.00 175.55 176.70 2daq s VAL 71 N 3.67 2.34 0.03 3.14 1.01 -1.26 -4.93 120.40 124.39 2daq s VAL 71 Ca 0.40 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 2daq s VAL 71 Cb -0.11 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 2daq s VAL 71 CO 0.21 -0.14 -0.02 1.21 0.00 0.00 0.00 175.10 176.35 2daq n GLU 72 N -3.46 0.04 -1.30 2.72 0.00 -1.26 -4.62 120.64 112.76 2daq n GLU 72 Ca 0.07 0.01 -0.43 0.00 0.00 0.00 0.00 57.16 56.82 2daq n GLU 72 Cb 0.59 -0.34 -0.04 0.00 0.00 0.00 0.00 31.44 31.66 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 3.19 3.12 0.00 8.31 0.00 -1.26 -3.40 105.19 115.16 2daq n GLY 73 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2daq n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2daq n ASP 74 N 6.99 0.00 -1.50 1.61 9.92 -1.26 -5.15 116.55 127.15 2daq n ASP 74 Ca 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.76 2daq n ASP 74 Cb 0.39 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 2daq n ASP 74 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2daq n LYS 75 N 0.00 -4.28 -2.68 -1.24 4.81 -1.22 -4.97 118.16 108.58 2daq n LYS 75 Ca 0.00 3.16 -0.25 0.00 -0.87 0.00 0.00 58.31 60.35 2daq n LYS 75 Cb 0.00 -3.53 0.02 0.00 0.02 0.00 0.00 35.03 31.54 2daq n LYS 75 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2daq s SER 76 N -2.91 5.79 0.00 3.14 0.15 -1.26 -5.01 113.70 113.59 2daq s SER 76 Ca 0.00 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2daq s SER 76 Cb 0.00 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 2daq s SER 76 CO 0.00 -0.84 0.72 0.49 1.20 0.00 0.00 173.24 174.80 2daq n PHE 77 N -2.32 0.00 0.00 3.44 3.01 -1.26 -4.97 117.46 115.36 2daq n PHE 77 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2daq n PHE 77 Cb 0.57 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 2daq n PHE 77 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2daq n ALA 78 N -2.04 -1.54 -1.06 4.37 0.00 -1.26 -4.77 120.51 114.21 2daq n ALA 78 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2daq n ALA 78 Cb 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 0.23 0.00 0.00 0.00 1.02 -1.26 -4.78 120.64 115.85 2daq n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2daq n GLU 79 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 4.54 -2.82 3.40 0.62 0.00 -1.26 -4.48 105.19 105.17 2daq n GLY 80 Ca 0.47 0.26 -0.59 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.11 0.28 -3.58 1.61 6.02 -1.26 -4.89 117.38 113.45 2daq n GLN 81 Ca 0.00 0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.71 2daq n GLN 81 Cb 0.00 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.49 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 5.59 5.12 0.13 5.09 -1.32 -1.26 -5.09 115.64 123.90 2daq s THR 82 Ca 1.14 0.61 0.05 0.00 -1.21 0.00 0.00 61.69 62.28 2daq s THR 82 Cb -1.35 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 65.95 2daq s THR 82 CO 0.65 0.49 0.06 -0.44 -2.21 0.00 0.00 174.62 173.17 2daq s SER 83 N -1.31 5.22 0.53 8.08 0.01 -1.26 -4.98 113.70 119.99 2daq s SER 83 Ca 0.26 -0.18 0.33 0.00 1.31 0.00 0.00 55.95 57.67 2daq s SER 83 Cb -0.15 -1.29 1.49 0.00 0.21 0.00 0.00 66.02 66.28 2daq s SER 83 CO 0.14 0.12 1.82 -0.29 0.41 0.00 0.00 173.24 175.44 2daq h ILE 84 N 2.45 0.46 -2.19 1.44 6.09 -2.05 -3.40 117.51 120.31 2daq h ILE 84 Ca -0.47 -0.02 -0.06 0.00 -1.37 0.00 0.00 64.86 62.94 2daq h ILE 84 Cb 1.18 0.41 -0.21 0.00 0.47 0.00 0.00 36.82 38.67 2daq h ILE 84 CO 0.62 0.01 0.07 0.54 -3.07 0.00 0.00 178.15 176.31 2daq s ASN 85 N -5.29 -0.63 -0.18 2.19 4.22 -1.26 -5.17 114.94 108.82 2daq s ASN 85 Ca -0.05 0.99 -0.30 0.00 -2.14 0.00 0.00 52.86 51.36 2daq s ASN 85 Cb 0.23 0.96 0.14 0.00 1.28 0.00 0.00 41.25 43.86 2daq s ASN 85 CO 0.80 -0.38 1.06 -0.75 -2.04 0.00 0.00 177.10 175.79 2daq s LYS 86 N -0.34 0.50 0.06 3.55 2.20 -1.26 -5.05 119.74 119.39 2daq s LYS 86 Ca -0.05 0.11 -0.15 0.00 -0.36 0.00 0.00 55.97 55.52 2daq s LYS 86 Cb -0.03 0.23 -0.22 0.00 -1.51 0.00 0.00 37.83 36.30 2daq s LYS 86 CO 0.04 -0.16 1.18 1.15 -0.36 0.00 0.00 175.35 177.21 2daq h THR 87 N 2.45 1.31 -0.20 3.43 2.02 -1.98 -3.17 112.91 116.77 2daq h THR 87 Ca -0.16 -2.16 0.03 0.00 0.77 0.00 0.00 66.41 64.88 2daq h THR 87 Cb 1.17 2.38 -0.05 0.00 -1.74 0.00 0.00 68.15 69.90 2daq h THR 87 CO 0.29 0.66 -0.37 0.15 0.37 0.00 0.00 175.52 176.62 2daq h PHE 88 N 0.29 -1.13 -0.94 3.16 3.57 -1.96 1.52 116.94 121.44 2daq h PHE 88 Ca -0.11 0.05 0.22 0.00 3.53 0.00 0.00 57.97 61.67 2daq h PHE 88 Cb 1.56 0.52 -0.07 0.00 2.79 0.00 0.00 35.95 40.75 2daq h PHE 88 CO 0.11 -0.35 0.62 -0.22 -2.23 0.00 0.00 178.31 176.25 2daq h LYS 89 N -0.32 0.37 -0.32 1.11 3.11 -1.99 1.25 116.57 119.78 2daq h LYS 89 Ca 0.04 -0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.69 2daq h LYS 89 Cb 0.43 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.57 2daq h LYS 89 CO -0.36 0.25 -0.47 -0.22 -2.81 0.00 0.00 179.45 175.84 2daq h LYS 90 N 0.38 0.86 -0.12 1.90 3.64 -0.44 -1.25 116.57 121.53 2daq h LYS 90 Ca 0.50 -0.50 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 2daq h LYS 90 Cb 1.29 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2daq h LYS 90 CO -0.19 1.13 -0.60 0.00 -2.27 0.00 0.00 179.45 177.52 2daq h ALA 91 N 0.78 0.74 0.17 5.00 0.00 0.75 -1.26 119.26 125.44 2daq h ALA 91 Ca 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2daq h ALA 91 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2daq h ALA 91 CO 0.11 0.71 -0.08 -0.07 0.00 0.00 0.00 179.25 179.92 2daq h LEU 92 N 0.31 -0.19 -0.10 0.00 3.38 0.14 0.21 115.31 119.06 2daq h LEU 92 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2daq h LEU 92 Cb 1.13 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2daq h LEU 92 CO 0.10 0.01 0.04 -0.33 0.09 0.00 0.00 178.44 178.35 2daq h GLU 93 N -0.38 0.09 0.17 1.13 5.08 -1.21 -1.87 114.58 117.59 2daq h GLU 93 Ca -0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2daq h GLU 93 Cb 0.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2daq h GLU 93 CO 0.04 0.06 -0.28 0.93 -1.00 0.00 0.00 179.01 178.76 2daq h GLU 94 N 0.10 -0.50 -1.00 2.33 5.08 -1.14 -0.88 114.58 118.57 2daq h GLU 94 Ca 0.04 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.70 2daq h GLU 94 Cb 0.01 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.24 2daq h GLU 94 CO -0.03 -0.33 0.58 0.00 -1.00 0.00 0.00 179.01 178.22 2daq h ALA 95 N 0.16 1.82 0.96 3.43 0.00 -0.40 0.35 119.26 125.57 2daq h ALA 95 Ca 0.02 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2daq h ALA 95 Cb 0.53 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2daq h ALA 95 CO -0.13 -0.37 -0.46 0.00 0.00 0.00 0.00 179.25 178.29 2daq h ALA 96 N 1.77 -1.28 -0.05 0.00 0.00 -0.36 -2.26 119.26 117.07 2daq h ALA 96 Ca 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2daq h ALA 96 Cb 1.36 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2daq h ALA 96 CO -0.52 -1.21 -0.03 1.17 0.00 0.00 0.00 179.25 178.66 2daq n LYS 97 N -5.63 -0.02 -0.32 0.00 3.00 0.06 0.02 118.16 115.25 2daq n LYS 97 Ca -0.16 0.93 -0.08 0.00 -0.00 0.00 0.00 58.31 58.99 2daq n LYS 97 Cb 0.51 -1.39 -0.08 0.00 0.00 0.00 0.00 35.03 34.07 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 -3.04 -0.34 -0.34 1.64 3.00 -0.86 0.19 116.66 116.92 2daq n ARG 98 Ca 0.00 1.33 0.26 0.00 -0.01 0.00 0.00 57.85 59.43 2daq n ARG 98 Cb 0.01 -1.96 0.54 0.00 0.00 0.00 0.00 32.46 31.06 2daq n ARG 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2daq h PHE 99 N 0.00 0.60 0.01 -1.55 3.04 -0.33 1.14 116.94 119.85 2daq h PHE 99 Ca 0.12 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.90 2daq h PHE 99 Cb 0.31 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.63 2daq h PHE 99 CO -0.95 0.01 -0.89 1.96 -2.02 0.00 0.00 178.31 176.42 2daq h GLN 100 N 0.32 0.06 0.17 1.11 1.08 0.59 -3.18 115.11 115.26 2daq h GLN 100 Ca 0.63 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.75 2daq h GLN 100 Cb 1.72 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 2daq h GLN 100 CO -0.30 0.91 -0.08 0.93 -0.95 0.00 0.00 178.83 179.34 2daq h GLU 101 N 0.03 -0.22 -0.23 1.46 5.08 0.80 -2.49 114.58 119.01 2daq h GLU 101 Ca -0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2daq h GLU 101 Cb 1.56 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.82 2daq h GLU 101 CO 0.12 0.20 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.09 2daq h LEU 102 N -0.87 -0.63 -1.54 1.33 4.07 -0.07 1.00 115.31 118.60 2daq h LEU 102 Ca -0.02 0.09 0.26 0.00 0.08 0.00 0.00 57.88 58.29 2daq h LEU 102 Cb 0.52 0.27 -0.08 0.00 1.08 0.00 0.00 40.66 42.45 2daq h LEU 102 CO 0.04 -0.09 0.68 0.07 -1.08 0.00 0.00 178.44 178.05 2daq h LYS 103 N -0.05 0.30 0.00 1.13 2.10 -1.68 -2.40 116.57 115.97 2daq h LYS 103 Ca 0.04 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2daq h LYS 103 Cb 0.15 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2daq h LYS 103 CO -0.24 0.20 0.00 0.00 -2.00 0.00 0.00 179.45 177.40 2daq n ALA 104 N -2.55 -0.19 -2.28 0.07 0.00 0.33 -4.02 120.51 111.87 2daq n ALA 104 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 2daq n ALA 104 Cb 0.90 0.09 -0.04 0.00 0.00 0.00 0.00 19.45 20.40 2daq n ALA 104 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2daq s SER 105 N -2.24 5.73 0.00 0.00 0.01 -0.05 -4.76 113.70 112.39 2daq s SER 105 Ca 0.00 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2daq s SER 105 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2daq s SER 105 CO 0.00 -2.15 0.00 0.61 0.41 0.00 0.00 173.24 172.11 2daq n GLY 106 N 6.20 0.98 3.76 3.44 0.00 -1.26 -4.84 105.19 113.47 2daq n GLY 106 Ca 0.24 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.41 4.58 -0.17 1.61 0.04 -1.26 -4.98 135.00 133.41 2daq s PRO 107 Ca 0.00 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 2daq s PRO 107 Cb 0.00 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 2daq s PRO 107 CO 0.00 0.18 0.40 -1.12 0.04 0.00 0.00 177.00 176.50 2daq s SER 108 N -1.03 6.50 -0.18 6.66 0.01 -1.26 -4.91 113.70 119.49 2daq s SER 108 Ca 0.46 0.59 -0.15 0.00 1.31 0.00 0.00 55.95 58.16 2daq s SER 108 Cb -0.30 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2daq s SER 108 CO 0.38 -0.03 -0.27 -0.24 0.41 0.00 0.00 173.24 173.49 2daq n SER 109 N 4.12 1.90 0.00 2.44 2.88 -1.26 -5.23 113.62 118.47 2daq n SER 109 Ca -0.09 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2daq n SER 109 Cb 0.51 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2daq n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42