#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pii s LYS 2 N 0.00 0.53 -0.22 0.03 -0.14 0.62 -3.37 119.74 117.19 2pii s LYS 2 Ca 0.00 -0.76 -0.11 0.00 -1.36 0.00 0.00 55.97 53.74 2pii s LYS 2 Cb 0.00 -0.28 -0.05 0.00 -1.68 0.00 0.00 37.83 35.82 2pii s LYS 2 CO 0.00 0.05 0.17 0.21 -0.76 0.00 0.00 175.35 175.02 2pii s LYS 3 N -1.59 4.13 -0.22 1.68 2.20 0.67 -1.20 119.74 125.41 2pii s LYS 3 Ca -0.10 -0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 55.25 2pii s LYS 3 Cb -0.10 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2pii s LYS 3 CO 0.00 0.15 0.00 0.42 -0.36 0.00 0.00 175.35 175.56 2pii s ILE 4 N 0.79 3.82 -0.13 5.43 1.01 -0.26 -0.00 121.20 131.86 2pii s ILE 4 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 2pii s ILE 4 Cb -0.13 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2pii s ILE 4 CO 0.02 0.40 -0.09 -1.81 0.00 0.00 0.00 174.94 173.47 2pii s ASP 5 N 1.33 4.41 -0.06 3.58 1.11 -0.14 -2.06 116.67 124.84 2pii s ASP 5 Ca 0.04 -0.20 0.02 0.00 0.18 0.00 0.00 52.55 52.59 2pii s ASP 5 Cb -0.15 -1.61 0.02 0.00 1.07 0.00 0.00 42.92 42.25 2pii s ASP 5 CO 0.00 0.20 -0.10 0.00 1.18 0.00 0.00 175.17 176.45 2pii s ALA 6 N 0.18 1.12 -0.37 5.23 0.00 -0.12 -0.68 121.76 127.12 2pii s ALA 6 Ca -0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.50 2pii s ALA 6 Cb -0.14 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.48 2pii s ALA 6 CO 0.04 0.07 0.18 0.42 0.00 0.00 0.00 175.76 176.46 2pii s ILE 7 N 0.76 4.17 0.32 0.00 -1.09 -0.77 -0.30 121.20 124.29 2pii s ILE 7 Ca -0.13 -1.09 0.09 0.00 -2.23 0.00 0.00 60.65 57.28 2pii s ILE 7 Cb -0.15 -3.39 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 2pii s ILE 7 CO 0.02 -0.27 -0.09 0.27 -1.23 0.00 0.00 174.94 173.64 2pii s ILE 8 N 1.46 2.07 0.10 2.92 -4.36 -0.24 -3.42 121.20 119.73 2pii s ILE 8 Ca 0.01 -2.19 -0.31 0.00 -0.26 0.00 0.00 60.65 57.90 2pii s ILE 8 Cb -0.20 -2.57 -0.07 0.00 1.25 0.00 0.00 42.46 40.87 2pii s ILE 8 CO 0.04 -0.24 1.35 -0.54 0.24 0.00 0.00 174.94 175.78 2pii s LYS 9 N -3.64 4.34 0.34 0.37 1.02 -1.26 -1.87 119.74 119.04 2pii s LYS 9 Ca 0.31 2.00 0.14 0.00 0.02 0.00 0.00 55.97 58.44 2pii s LYS 9 Cb 0.02 -3.28 1.02 0.00 -0.52 0.00 0.00 37.83 35.07 2pii s LYS 9 CO 0.15 -0.40 1.70 -1.35 -0.92 0.00 0.00 175.35 174.53 2pii h PRO 10 N 6.84 0.42 0.00 -1.68 0.11 -1.90 -1.42 132.00 134.37 2pii h PRO 10 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2pii h PRO 10 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2pii h PRO 10 CO 0.85 0.28 0.00 1.97 -0.21 0.00 0.00 178.00 180.89 2pii n PHE 11 N -4.91 0.83 1.24 0.65 -1.74 -1.26 -2.01 117.46 110.26 2pii n PHE 11 Ca 0.29 0.37 0.13 0.00 -0.56 0.00 0.00 57.45 57.68 2pii n PHE 11 Cb 0.89 -1.09 0.35 0.00 1.52 0.00 0.00 39.48 41.15 2pii n PHE 11 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2pii n LYS 12 N -2.29 1.00 -0.07 3.97 4.76 -0.53 -4.44 118.16 120.55 2pii n LYS 12 Ca 0.01 -0.63 -0.07 0.00 -2.87 0.00 0.00 58.31 54.74 2pii n LYS 12 Cb 0.15 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 2pii n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2pii h LEU 13 N 1.54 -0.16 -1.04 -0.35 6.46 -1.53 -1.95 115.31 118.28 2pii h LEU 13 Ca 0.00 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2pii h LEU 13 Cb 0.54 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 2pii h LEU 13 CO 0.00 -0.05 0.53 0.44 -0.62 0.00 0.00 178.44 178.74 2pii h ASP 14 N 0.05 1.05 -0.05 1.25 5.19 -1.82 -0.33 116.42 121.76 2pii h ASP 14 Ca 0.13 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2pii h ASP 14 Cb 0.18 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 2pii h ASP 14 CO -0.24 0.81 0.01 0.44 -3.12 0.00 0.00 179.24 177.13 2pii h ASP 15 N 1.21 0.07 -0.43 6.45 3.32 -1.77 0.26 116.42 125.54 2pii h ASP 15 Ca 0.32 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2pii h ASP 15 Cb -0.05 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 2pii h ASP 15 CO -0.06 0.32 0.18 0.58 -1.72 0.00 0.00 179.24 178.54 2pii h VAL 16 N -0.17 0.92 -0.41 -1.35 2.07 -1.20 -1.22 116.25 114.88 2pii h VAL 16 Ca 0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2pii h VAL 16 Cb 0.28 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2pii h VAL 16 CO 0.00 0.07 0.21 -0.09 0.02 0.00 0.00 177.57 177.78 2pii h ARG 17 N 0.38 0.59 -0.23 1.57 2.43 -0.93 0.54 114.38 118.72 2pii h ARG 17 Ca 0.19 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2pii h ARG 17 Cb 0.14 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2pii h ARG 17 CO -0.17 0.49 0.10 1.49 -1.51 0.00 0.00 179.97 180.38 2pii h GLU 18 N 0.53 0.34 -0.81 0.20 4.81 -0.80 -2.27 114.58 116.59 2pii h GLU 18 Ca 0.14 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2pii h GLU 18 Cb 0.09 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2pii h GLU 18 CO -0.02 0.37 0.36 0.00 -0.73 0.00 0.00 179.01 178.98 2pii h ALA 19 N 0.96 1.04 -0.22 2.92 0.00 -0.87 -2.07 119.26 121.02 2pii h ALA 19 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2pii h ALA 19 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2pii h ALA 19 CO -0.01 0.64 -0.28 -0.07 0.00 0.00 0.00 179.25 179.54 2pii h LEU 20 N 1.16 0.44 -0.66 0.00 4.07 -0.85 -2.50 115.31 116.97 2pii h LEU 20 Ca 0.27 -0.15 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 2pii h LEU 20 Cb 0.17 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 2pii h LEU 20 CO -0.03 0.71 0.28 0.00 -1.08 0.00 0.00 178.44 178.32 2pii h ALA 21 N 1.33 0.86 -0.76 1.53 0.00 -0.78 -2.57 119.26 118.87 2pii h ALA 21 Ca 0.05 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2pii h ALA 21 Cb 0.69 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 2pii h ALA 21 CO 0.05 0.46 0.43 1.49 0.00 0.00 0.00 179.25 181.68 2pii h GLU 22 N 0.93 0.74 0.00 0.00 4.57 -0.97 -1.43 114.58 118.42 2pii h GLU 22 Ca 0.22 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2pii h GLU 22 Cb 0.18 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2pii h GLU 22 CO -0.02 0.49 0.00 1.33 -1.18 0.00 0.00 179.01 179.63 2pii n VAL 23 N -4.75 0.49 0.00 0.32 0.24 -1.04 -4.88 118.33 108.71 2pii n VAL 23 Ca 0.11 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 2pii n VAL 23 Cb 0.21 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 2pii n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pii n GLY 24 N 0.31 0.96 3.71 7.63 0.00 -0.54 -5.07 105.19 112.19 2pii n GLY 24 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2pii n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pii s ILE 25 N -2.00 3.63 -1.21 -0.61 1.09 -1.00 -4.93 121.20 116.18 2pii s ILE 25 Ca 0.00 1.13 0.18 0.00 -1.10 0.00 0.00 60.65 60.86 2pii s ILE 25 Cb 0.00 -3.73 -0.10 0.00 -1.06 0.00 0.00 42.46 37.57 2pii s ILE 25 CO 0.00 0.06 0.82 0.35 -0.10 0.00 0.00 174.94 176.07 2pii n THR 26 N 4.18 0.00 -3.84 2.92 -2.24 -1.26 -4.53 114.28 109.51 2pii n THR 26 Ca 0.11 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 2pii n THR 26 Cb 0.44 1.10 -0.09 0.00 -2.10 0.00 0.00 70.33 69.67 2pii n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pii s GLY 27 N -2.36 -0.00 -0.26 3.38 0.00 -1.26 -5.16 107.32 101.66 2pii s GLY 27 Ca 0.10 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 2pii s GLY 27 CO 0.59 -0.18 0.68 -0.29 0.00 0.00 0.00 173.10 173.89 2pii s MET 28 N -1.41 0.77 -0.08 2.90 1.75 -1.26 -4.79 119.30 117.18 2pii s MET 28 Ca -0.14 0.99 0.03 0.00 -1.25 0.00 0.00 55.69 55.31 2pii s MET 28 Cb -0.07 0.34 -0.02 0.00 2.84 0.00 0.00 34.83 37.92 2pii s MET 28 CO 0.02 -0.11 -0.15 0.99 -0.65 0.00 0.00 175.02 175.12 2pii s THR 29 N 0.60 2.94 -0.08 10.11 2.01 -0.81 -4.99 115.64 125.42 2pii s THR 29 Ca -0.02 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2pii s THR 29 Cb -0.05 -2.17 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2pii s THR 29 CO -0.03 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.61 2pii s VAL 30 N -0.29 1.49 -0.03 3.82 1.01 -1.26 -1.20 120.40 123.94 2pii s VAL 30 Ca 0.02 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2pii s VAL 30 Cb -0.13 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 2pii s VAL 30 CO 0.03 0.43 -0.25 -0.89 0.00 0.00 0.00 175.10 174.42 2pii s THR 31 N 0.52 2.15 -0.16 3.92 2.01 -0.28 -4.97 115.64 118.83 2pii s THR 31 Ca -0.16 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.59 2pii s THR 31 Cb -0.16 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2pii s THR 31 CO 0.06 0.58 0.51 -1.61 -0.69 0.00 0.00 174.62 173.47 2pii s GLU 32 N -0.56 4.27 0.27 4.92 2.02 -1.26 -0.48 118.70 127.87 2pii s GLU 32 Ca 0.08 0.46 0.02 0.00 0.02 0.00 0.00 54.97 55.55 2pii s GLU 32 Cb -0.11 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.57 2pii s GLU 32 CO -0.00 -0.00 0.09 0.14 0.02 0.00 0.00 175.26 175.51 2pii s VAL 33 N 1.15 0.65 -0.17 2.63 -7.23 -0.76 -4.97 120.40 111.71 2pii s VAL 33 Ca 0.26 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2pii s VAL 33 Cb -0.15 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2pii s VAL 33 CO 0.10 0.00 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.33 2pii s LYS 34 N -4.01 3.69 -0.12 4.82 1.02 -1.26 -1.14 119.74 122.74 2pii s LYS 34 Ca 0.38 -0.50 -0.05 0.00 0.02 0.00 0.00 55.97 55.82 2pii s LYS 34 Cb 0.08 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2pii s LYS 34 CO 0.14 0.20 0.06 0.20 -0.92 0.00 0.00 175.35 175.03 2pii s GLY 35 N 0.50 1.96 -0.06 -3.33 0.00 0.33 -4.92 107.32 101.81 2pii s GLY 35 Ca -0.02 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.02 2pii s GLY 35 CO 0.02 -0.38 -0.25 -1.36 0.00 0.00 0.00 173.10 171.14 2pii s PHE 36 N -0.68 2.43 0.00 1.90 0.40 -1.26 -1.90 117.98 118.88 2pii s PHE 36 Ca 0.12 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2pii s PHE 36 Cb -0.12 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.81 2pii s PHE 36 CO 0.02 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.12 2pii n GLY 37 N 2.99 0.47 3.45 4.36 0.00 -1.26 -5.05 105.19 110.14 2pii n GLY 37 Ca -0.18 -1.09 -0.53 0.00 0.00 0.00 0.00 46.02 44.22 2pii n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pii n ARG 38 N 0.00 0.90 -3.79 1.61 1.74 -1.26 -4.80 116.66 111.06 2pii n ARG 38 Ca 0.00 0.26 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 2pii n ARG 38 Cb 0.00 -2.23 -0.12 0.00 -1.02 0.00 0.00 32.46 29.08 2pii n ARG 38 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2pii s GLN 39 N 5.76 0.21 0.27 5.56 0.74 -1.26 -4.21 119.66 126.73 2pii s GLN 39 Ca 1.10 0.30 -0.30 0.00 0.05 0.00 0.00 55.36 56.50 2pii s GLN 39 Cb -1.01 0.06 -0.11 0.00 1.10 0.00 0.00 33.01 33.05 2pii s GLN 39 CO 0.55 -0.05 1.62 0.21 -0.55 0.00 0.00 175.29 177.06 2pii s LYS 40 N 0.31 4.13 0.00 1.67 2.20 -1.26 -1.68 119.74 125.10 2pii s LYS 40 Ca -0.02 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 2pii s LYS 40 Cb -0.03 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 2pii s LYS 40 CO -0.01 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 2pii n GLY 41 N 2.57 1.75 3.47 5.54 0.00 -1.26 -5.02 105.19 112.24 2pii n GLY 41 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2pii n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pii s HIS 42 N -2.37 2.18 -0.01 1.61 3.76 -0.68 -5.05 115.29 114.73 2pii s HIS 42 Ca 0.00 -0.51 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2pii s HIS 42 Cb 0.00 -1.14 0.02 0.00 1.11 0.00 0.00 32.58 32.57 2pii s HIS 42 CO 0.00 0.52 0.76 0.25 -0.85 0.00 0.00 174.74 175.41 2pii n THR 43 N -0.65 0.42 -3.57 1.30 -2.24 -1.26 -4.59 114.28 103.70 2pii n THR 43 Ca -0.05 -0.45 -0.14 0.00 -2.27 0.00 0.00 64.05 61.14 2pii n THR 43 Cb 0.62 0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 69.50 2pii n THR 43 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2pii s GLU 44 N -0.49 1.04 0.42 -0.78 1.03 -1.26 -5.11 118.70 113.54 2pii s GLU 44 Ca 0.02 -0.19 -0.05 0.00 0.03 0.00 0.00 54.97 54.79 2pii s GLU 44 Cb 0.02 0.48 -0.04 0.00 -0.80 0.00 0.00 34.13 33.79 2pii s GLU 44 CO 0.00 -0.37 0.70 -0.51 -1.33 0.00 0.00 175.26 173.75 2pii s LEU 45 N -1.90 3.79 -0.15 1.83 1.02 -1.26 -4.72 118.68 117.30 2pii s LEU 45 Ca -0.06 0.83 -0.03 0.00 0.02 0.00 0.00 54.13 54.90 2pii s LEU 45 Cb -0.01 -3.74 0.01 0.00 0.02 0.00 0.00 46.19 42.47 2pii s LEU 45 CO -0.01 -0.44 0.06 0.00 0.02 0.00 0.00 176.35 175.98 2pii n TYR 46 N -1.84 -2.39 -0.02 0.29 9.36 -1.26 -4.93 117.16 116.36 2pii n TYR 46 Ca -0.01 1.20 0.07 0.00 3.32 0.00 0.00 57.90 62.49 2pii n TYR 46 Cb 0.55 -2.69 -0.16 0.00 -0.63 0.00 0.00 39.34 36.41 2pii n TYR 46 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2pii n ARG 47 N 1.41 0.67 -3.91 2.98 1.74 -1.26 -5.01 116.66 113.27 2pii n ARG 47 Ca -0.10 -0.16 -0.26 0.00 -0.77 0.00 0.00 57.85 56.57 2pii n ARG 47 Cb 0.28 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 2pii n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pii n GLY 48 N 1.43 -0.27 3.91 -0.13 0.00 -1.26 -4.98 105.19 103.89 2pii n GLY 48 Ca -0.08 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2pii n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pii s ALA 49 N -3.80 3.41 0.08 4.61 0.00 -1.26 -5.02 121.76 119.78 2pii s ALA 49 Ca 0.10 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.42 2pii s ALA 49 Cb -0.05 -2.58 -0.19 0.00 0.00 0.00 0.00 23.12 20.30 2pii s ALA 49 CO 0.87 -0.31 1.25 1.49 0.00 0.00 0.00 175.76 179.06 2pii h GLU 50 N 0.32 0.71 0.00 0.00 4.81 -2.05 -3.39 114.58 114.99 2pii h GLU 50 Ca -0.47 -0.64 -0.12 0.00 -0.13 0.00 0.00 59.36 57.99 2pii h GLU 50 Cb 1.20 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 2pii h GLU 50 CO 0.62 1.24 -1.67 0.66 -0.73 0.00 0.00 179.01 179.13 2pii n TYR 51 N -3.97 0.00 -1.52 0.92 4.02 -1.26 -5.00 117.16 110.35 2pii n TYR 51 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.49 2pii n TYR 51 Cb 0.76 -0.44 0.06 0.00 -0.02 0.00 0.00 39.34 39.70 2pii n TYR 51 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2pii s MET 52 N -2.47 2.75 -0.02 -0.72 -1.94 -1.26 -5.06 119.30 110.58 2pii s MET 52 Ca -0.05 1.05 0.06 0.00 -1.71 0.00 0.00 55.69 55.05 2pii s MET 52 Cb 0.05 -1.96 -0.01 0.00 2.01 0.00 0.00 34.83 34.91 2pii s MET 52 CO 0.46 -1.25 -0.22 0.54 -0.01 0.00 0.00 175.02 174.55 2pii s VAL 53 N -2.94 1.73 -0.95 -6.03 0.11 -1.26 -4.62 120.40 106.45 2pii s VAL 53 Ca 0.60 -0.93 0.24 0.00 -2.93 0.00 0.00 61.98 58.96 2pii s VAL 53 Cb -0.15 -1.45 -0.08 0.00 -1.53 0.00 0.00 36.38 33.17 2pii s VAL 53 CO 0.54 0.49 1.22 0.47 -3.33 0.00 0.00 175.10 174.48 2pii n ASP 54 N 2.66 0.66 -4.91 3.54 8.00 -1.26 -4.98 116.55 120.27 2pii n ASP 54 Ca -0.16 -0.46 -0.28 0.00 0.71 0.00 0.00 54.79 54.60 2pii n ASP 54 Cb 0.52 0.53 0.02 0.00 -0.02 0.00 0.00 41.12 42.18 2pii n ASP 54 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2pii s PHE 55 N -3.03 3.39 -0.03 1.24 -0.12 -1.26 -4.69 117.98 113.48 2pii s PHE 55 Ca 0.09 0.81 0.02 0.00 -0.05 0.00 0.00 56.93 57.79 2pii s PHE 55 Cb 0.17 -2.65 0.01 0.00 -0.63 0.00 0.00 43.02 39.92 2pii s PHE 55 CO 0.76 -0.70 -0.06 -1.17 -0.05 0.00 0.00 175.22 174.00 2pii s LEU 56 N -4.98 1.60 0.30 -1.99 2.96 -0.80 -4.95 118.68 110.82 2pii s LEU 56 Ca 0.53 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 2pii s LEU 56 Cb -0.11 -0.46 -0.10 0.00 0.50 0.00 0.00 46.19 46.03 2pii s LEU 56 CO 0.47 0.01 1.38 -2.16 -1.32 0.00 0.00 176.35 174.73 2pii s PRO 57 N 0.49 4.29 0.26 0.98 0.04 -1.26 -0.51 135.00 139.30 2pii s PRO 57 Ca -0.07 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2pii s PRO 57 Cb -0.11 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 2pii s PRO 57 CO 0.00 -0.33 0.08 0.15 0.04 0.00 0.00 177.00 176.94 2pii s LYS 58 N -1.21 1.43 -0.10 4.56 -0.14 -0.29 -4.57 119.74 119.42 2pii s LYS 58 Ca 0.54 -1.77 0.02 0.00 -1.36 0.00 0.00 55.97 53.40 2pii s LYS 58 Cb -0.41 -0.40 0.01 0.00 -1.68 0.00 0.00 37.83 35.35 2pii s LYS 58 CO 0.50 -0.25 -0.17 0.08 -0.76 0.00 0.00 175.35 174.75 2pii s VAL 59 N -3.64 1.58 -0.23 3.17 1.01 -0.78 -1.83 120.40 119.68 2pii s VAL 59 Ca 0.36 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 2pii s VAL 59 Cb 0.08 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2pii s VAL 59 CO 0.13 0.46 0.09 -0.75 0.00 0.00 0.00 175.10 175.03 2pii s LYS 60 N 0.82 3.82 -0.14 2.72 2.20 0.37 -1.08 119.74 128.45 2pii s LYS 60 Ca -0.10 -0.40 -0.07 0.00 -0.36 0.00 0.00 55.97 55.04 2pii s LYS 60 Cb -0.16 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2pii s LYS 60 CO 0.01 -0.03 0.11 0.42 -0.36 0.00 0.00 175.35 175.50 2pii s ILE 61 N 1.21 5.25 -0.10 5.43 1.01 0.59 -1.13 121.20 133.47 2pii s ILE 61 Ca 0.05 0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.82 2pii s ILE 61 Cb -0.14 -3.31 0.02 0.00 0.01 0.00 0.00 42.46 39.04 2pii s ILE 61 CO 0.04 0.56 -0.08 -1.61 0.00 0.00 0.00 174.94 173.86 2pii s GLU 62 N -0.58 1.48 0.10 2.79 2.02 -0.34 -0.95 118.70 123.23 2pii s GLU 62 Ca 0.12 -0.25 0.06 0.00 0.02 0.00 0.00 54.97 54.92 2pii s GLU 62 Cb -0.12 -1.52 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 2pii s GLU 62 CO 0.02 -0.23 -0.16 0.96 0.02 0.00 0.00 175.26 175.87 2pii s ILE 63 N 1.57 1.41 -0.20 -1.63 -4.36 -0.88 -1.92 121.20 115.20 2pii s ILE 63 Ca 0.02 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 2pii s ILE 63 Cb -0.13 -1.41 0.04 0.00 1.25 0.00 0.00 42.46 42.21 2pii s ILE 63 CO -0.06 -0.25 -0.13 -0.69 0.24 0.00 0.00 174.94 174.05 2pii s VAL 64 N -1.57 1.77 0.23 8.37 1.01 -1.26 -1.10 120.40 127.84 2pii s VAL 64 Ca 0.05 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.05 2pii s VAL 64 Cb -0.08 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2pii s VAL 64 CO 0.03 0.25 -0.01 0.68 0.00 0.00 0.00 175.10 176.06 2pii s VAL 65 N 1.36 1.02 0.59 2.92 -7.23 -0.34 -4.96 120.40 113.75 2pii s VAL 65 Ca -0.00 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 57.95 2pii s VAL 65 Cb -0.16 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2pii s VAL 65 CO -0.09 -0.34 1.21 -2.84 -0.31 0.00 0.00 175.10 172.73 2pii s PRO 66 N -3.86 3.01 0.33 4.82 0.02 -1.26 -0.28 135.00 137.77 2pii s PRO 66 Ca 0.28 1.83 0.06 0.00 0.02 0.00 0.00 61.00 63.19 2pii s PRO 66 Cb 0.06 -1.95 0.72 0.00 0.02 0.00 0.00 34.50 33.35 2pii s PRO 66 CO 0.08 -1.18 1.85 -0.44 -0.33 0.00 0.00 177.00 176.99 2pii h ASP 67 N 0.94 0.76 0.72 2.53 3.32 -1.59 -2.40 116.42 120.70 2pii h ASP 67 Ca -0.50 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2pii h ASP 67 Cb 1.30 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2pii h ASP 67 CO 0.55 0.39 -0.07 0.44 -1.72 0.00 0.00 179.24 178.83 2pii h ASP 68 N 0.81 0.00 -0.46 6.45 3.32 -1.91 -3.00 116.42 121.62 2pii h ASP 68 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2pii h ASP 68 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2pii h ASP 68 CO -0.23 0.07 0.00 2.30 -1.72 0.00 0.00 179.24 179.65 2pii n ILE 69 N -3.25 0.74 0.15 0.35 -5.35 -0.91 -4.55 119.36 106.54 2pii n ILE 69 Ca -0.01 -0.87 -0.14 0.00 -0.27 0.00 0.00 62.75 61.47 2pii n ILE 69 Cb 0.28 0.74 -0.08 0.00 -1.74 0.00 0.00 39.64 38.84 2pii n ILE 69 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 2pii h VAL 70 N 3.69 0.77 -0.65 7.28 2.07 -1.51 -0.16 116.25 127.75 2pii h VAL 70 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2pii h VAL 70 Cb 0.89 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2pii h VAL 70 CO 0.00 0.00 0.39 0.44 0.02 0.00 0.00 177.57 178.42 2pii h ASP 71 N -0.31 0.77 -0.62 0.57 3.32 -1.80 0.49 116.42 118.83 2pii h ASP 71 Ca -0.03 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 2pii h ASP 71 Cb 0.24 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2pii h ASP 71 CO 0.05 0.59 0.09 0.74 -1.72 0.00 0.00 179.24 178.98 2pii h THR 72 N 0.89 1.26 -0.21 0.35 2.02 -1.71 -0.91 112.91 114.60 2pii h THR 72 Ca 0.23 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 2pii h THR 72 Cb -0.04 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2pii h THR 72 CO -0.04 0.39 -0.05 0.00 0.37 0.00 0.00 175.52 176.18 2pii h VAL 74 N 0.13 0.86 -0.79 0.00 2.07 -0.83 -0.37 116.25 117.32 2pii h VAL 74 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2pii h VAL 74 Cb 0.50 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 2pii h VAL 74 CO 0.02 0.00 0.50 -0.78 0.02 0.00 0.00 177.57 177.33 2pii h ASP 75 N -0.04 0.81 0.55 0.57 3.58 -1.14 -1.15 116.42 119.59 2pii h ASP 75 Ca 0.04 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.33 2pii h ASP 75 Cb 0.11 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2pii h ASP 75 CO -0.10 0.55 -0.73 0.71 -2.88 0.00 0.00 179.24 176.79 2pii h THR 76 N 0.95 1.46 -0.15 2.25 1.35 -1.01 -1.78 112.91 115.99 2pii h THR 76 Ca 0.32 -2.34 -0.02 0.00 -0.55 0.00 0.00 66.41 63.82 2pii h THR 76 Cb 0.05 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 2pii h THR 76 CO -0.13 0.68 0.00 0.40 -0.25 0.00 0.00 175.52 176.23 2pii h ILE 77 N 0.09 1.25 0.02 6.82 2.04 -0.66 -2.29 117.51 124.78 2pii h ILE 77 Ca -0.02 -0.82 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2pii h ILE 77 Cb 1.29 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 2pii h ILE 77 CO 0.11 0.24 -0.06 0.40 0.00 0.00 0.00 178.15 178.84 2pii h ILE 78 N 0.01 0.85 -0.80 -0.67 2.04 -1.21 0.09 117.51 117.82 2pii h ILE 78 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 2pii h ILE 78 Cb 0.36 0.85 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 2pii h ILE 78 CO 0.01 0.00 0.41 -0.09 0.00 0.00 0.00 178.15 178.47 2pii h ARG 79 N -0.11 0.61 0.00 2.37 2.43 -1.29 -0.64 114.38 117.74 2pii h ARG 79 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pii h ARG 79 Cb 0.13 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2pii h ARG 79 CO -0.05 0.40 -0.88 0.25 -1.51 0.00 0.00 179.97 178.19 2pii n THR 80 N -4.86 0.35 -0.04 0.20 -2.24 -0.87 -4.38 114.28 102.44 2pii n THR 80 Ca 0.14 -0.34 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 2pii n THR 80 Cb 0.36 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.39 2pii n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pii n ALA 81 N -1.92 2.15 -1.87 6.98 0.00 0.01 -4.55 120.51 121.30 2pii n ALA 81 Ca 0.02 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 2pii n ALA 81 Cb 0.47 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 2pii n ALA 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2pii s GLN 82 N -2.82 4.27 0.00 0.00 0.74 -0.26 -4.87 119.66 116.72 2pii s GLN 82 Ca -0.07 2.30 0.00 0.00 0.05 0.00 0.00 55.36 57.64 2pii s GLN 82 Cb 0.08 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 31.09 2pii s GLN 82 CO 0.69 -0.40 0.00 0.25 -0.55 0.00 0.00 175.29 175.28 2pii n THR 83 N 2.17 0.00 -0.91 -0.34 -2.24 -1.26 -4.99 114.28 106.71 2pii n THR 83 Ca 0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2pii n THR 83 Cb 0.40 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2pii n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pii n GLY 84 N 1.16 0.81 3.89 3.38 0.00 -1.26 -5.03 105.19 108.13 2pii n GLY 84 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2pii n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pii s LYS 85 N -0.09 2.30 0.34 1.61 1.02 -1.26 -5.08 119.74 118.58 2pii s LYS 85 Ca 0.00 -1.91 -0.29 0.00 0.02 0.00 0.00 55.97 53.80 2pii s LYS 85 Cb 0.00 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 35.05 2pii s LYS 85 CO 0.00 -0.51 1.38 0.42 -0.92 0.00 0.00 175.35 175.73 2pii s ILE 86 N -2.70 2.48 0.00 2.17 1.01 -1.26 -3.57 121.20 119.33 2pii s ILE 86 Ca 0.38 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.51 2pii s ILE 86 Cb -0.02 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2pii s ILE 86 CO 0.23 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2pii n GLY 87 N 0.86 0.71 0.30 6.18 0.00 -1.26 -4.71 105.19 107.27 2pii n GLY 87 Ca 0.01 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 46.01 2pii n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pii h ASP 88 N 0.00 0.00 -4.79 1.61 3.32 -1.93 -3.43 116.42 111.21 2pii h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pii h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pii h ASP 88 CO 0.00 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.17 2pii n GLY 89 N -0.83 -2.93 3.21 2.75 0.00 -1.26 -4.48 105.19 101.65 2pii n GLY 89 Ca -0.02 -1.96 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 2pii n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pii s LYS 90 N -0.53 0.96 -0.12 1.61 1.02 -1.22 -4.98 119.74 116.47 2pii s LYS 90 Ca 0.00 -1.42 0.02 0.00 0.02 0.00 0.00 55.97 54.59 2pii s LYS 90 Cb 0.00 -0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.00 2pii s LYS 90 CO 0.00 -0.03 -0.18 0.42 -0.92 0.00 0.00 175.35 174.63 2pii s ILE 91 N -3.58 2.55 -0.02 2.17 1.01 -1.26 -1.85 121.20 120.22 2pii s ILE 91 Ca 0.16 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 60.05 2pii s ILE 91 Cb 0.05 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 2pii s ILE 91 CO -0.01 0.54 -0.25 -0.36 0.00 0.00 0.00 174.94 174.86 2pii s PHE 92 N 0.41 2.28 -0.07 3.97 0.08 0.14 -4.98 117.98 119.81 2pii s PHE 92 Ca -0.14 -0.45 0.03 0.00 0.12 0.00 0.00 56.93 56.49 2pii s PHE 92 Cb -0.17 -1.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2pii s PHE 92 CO 0.06 -0.06 -0.15 0.08 -0.10 0.00 0.00 175.22 175.06 2pii s VAL 93 N -0.55 2.95 0.04 -0.44 1.01 -1.26 -0.96 120.40 121.19 2pii s VAL 93 Ca 0.08 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2pii s VAL 93 Cb -0.10 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2pii s VAL 93 CO -0.01 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.19 2pii s PHE 94 N -0.40 1.04 0.36 5.22 0.08 1.00 -4.96 117.98 120.31 2pii s PHE 94 Ca 0.04 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.45 2pii s PHE 94 Cb -0.12 -0.61 -0.09 0.00 -0.57 0.00 0.00 43.02 41.63 2pii s PHE 94 CO 0.02 0.01 1.03 0.34 -0.10 0.00 0.00 175.22 176.52 2pii s ASP 95 N -1.32 7.01 -0.10 1.36 2.15 -1.26 -0.23 116.67 124.28 2pii s ASP 95 Ca -0.02 2.02 0.02 0.00 0.43 0.00 0.00 52.55 55.01 2pii s ASP 95 Cb -0.08 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 2pii s ASP 95 CO 0.01 -0.31 -0.16 -0.69 -0.17 0.00 0.00 175.17 173.84 2pii s VAL 96 N -1.56 2.79 0.01 1.11 1.01 -1.22 -4.77 120.40 117.77 2pii s VAL 96 Ca 0.53 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 2pii s VAL 96 Cb -0.23 -2.12 -0.33 0.00 0.00 0.00 0.00 36.38 33.71 2pii s VAL 96 CO 0.29 0.55 0.90 0.00 0.00 0.00 0.00 175.10 176.84 2pii h ALA 97 N 6.27 0.01 -2.56 5.51 0.00 -1.91 -3.45 119.26 123.12 2pii h ALA 97 Ca -0.31 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 53.51 2pii h ALA 97 Cb 1.20 0.25 -0.20 0.00 0.00 0.00 0.00 17.79 19.04 2pii h ALA 97 CO 0.52 0.87 -0.32 1.03 0.00 0.00 0.00 179.25 181.35 2pii s ARG 98 N -2.60 0.65 -0.10 0.00 0.52 -1.26 -4.68 118.95 111.48 2pii s ARG 98 Ca -0.10 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.79 2pii s ARG 98 Cb 0.05 0.28 0.04 0.00 0.52 0.00 0.00 34.95 35.84 2pii s ARG 98 CO 0.90 -0.18 0.03 0.08 0.02 0.00 0.00 175.30 176.15 2pii s VAL 99 N -1.54 0.26 -0.09 3.52 1.01 -1.26 -5.01 120.40 117.29 2pii s VAL 99 Ca -0.12 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2pii s VAL 99 Cb -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 2pii s VAL 99 CO 0.02 0.10 -0.21 -0.63 0.00 0.00 0.00 175.10 174.38 2pii s ILE 100 N 2.01 2.36 -0.36 2.22 1.09 -1.26 -1.44 121.20 125.81 2pii s ILE 100 Ca 0.04 -0.93 -0.25 0.00 -1.10 0.00 0.00 60.65 58.41 2pii s ILE 100 Cb -0.13 -1.91 0.01 0.00 -1.06 0.00 0.00 42.46 39.36 2pii s ILE 100 CO -0.06 0.56 0.86 -0.60 -0.10 0.00 0.00 174.94 175.60 2pii s ARG 101 N 0.13 3.83 0.23 2.79 3.52 0.15 -4.96 118.95 124.64 2pii s ARG 101 Ca -0.11 0.50 -0.08 0.00 -0.13 0.00 0.00 55.73 55.91 2pii s ARG 101 Cb -0.16 -3.79 0.22 0.00 -1.56 0.00 0.00 34.95 29.65 2pii s ARG 101 CO 0.06 -0.88 1.90 0.82 -0.81 0.00 0.00 175.30 176.39 2pii h ILE 102 N 5.77 1.24 -0.89 4.11 2.04 -1.95 0.70 117.51 128.52 2pii h ILE 102 Ca -0.24 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.21 2pii h ILE 102 Cb 1.09 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 2pii h ILE 102 CO 0.95 0.23 0.58 -0.09 0.00 0.00 0.00 178.15 179.82 2pii h ARG 103 N 1.23 1.06 0.00 2.37 2.43 -1.97 -3.25 114.38 116.26 2pii h ARG 103 Ca 0.33 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2pii h ARG 103 Cb -0.12 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.19 2pii h ARG 103 CO -0.07 0.70 -0.43 0.25 -1.51 0.00 0.00 179.97 178.91 2pii n THR 104 N -4.45 0.00 -0.97 0.20 -2.24 -1.20 -4.99 114.28 100.62 2pii n THR 104 Ca 0.12 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2pii n THR 104 Cb 0.13 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 2pii n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pii n GLY 105 N 1.27 0.71 3.77 3.38 0.00 0.23 -5.00 105.19 109.55 2pii n GLY 105 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2pii n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pii s GLU 106 N -0.14 4.43 0.15 1.61 2.02 -1.22 -4.80 118.70 120.75 2pii s GLU 106 Ca 0.00 0.98 -0.08 0.00 0.02 0.00 0.00 54.97 55.89 2pii s GLU 106 Cb 0.00 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.87 2pii s GLU 106 CO 0.00 0.47 0.43 -1.21 0.02 0.00 0.00 175.26 174.97 2pii s GLU 107 N -0.66 3.71 0.24 1.61 2.02 -1.26 -0.68 118.70 123.69 2pii s GLU 107 Ca 0.34 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.40 2pii s GLU 107 Cb -0.21 -2.84 -0.05 0.00 0.10 0.00 0.00 34.13 31.13 2pii s GLU 107 CO 0.22 0.46 0.46 -0.51 0.02 0.00 0.00 175.26 175.91 2pii s ASP 108 N -2.21 6.41 -0.51 -0.19 1.11 -0.52 -4.97 116.67 115.79 2pii s ASP 108 Ca 0.40 0.53 -0.28 0.00 0.18 0.00 0.00 52.55 53.39 2pii s ASP 108 Cb -0.12 -2.07 0.01 0.00 1.07 0.00 0.00 42.92 41.81 2pii s ASP 108 CO 0.22 -0.11 1.48 -0.62 1.18 0.00 0.00 175.17 177.31 2pii s ASP 109 N -3.18 6.09 0.00 0.27 -1.08 -1.26 -4.45 116.67 113.06 2pii s ASP 109 Ca 0.41 0.49 0.06 0.00 -0.52 0.00 0.00 52.55 52.99 2pii s ASP 109 Cb -0.11 -2.54 0.34 0.00 -1.46 0.00 0.00 42.92 39.15 2pii s ASP 109 CO 0.29 -1.70 0.98 0.00 0.52 0.00 0.00 175.17 175.26 2pii n ALA 110 N 9.70 1.57 1.05 3.66 0.00 -1.26 -2.30 120.51 132.93 2pii n ALA 110 Ca 0.15 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2pii n ALA 110 Cb 0.49 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 18.93 2pii n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pii n ALA 111 N -1.18 3.83 0.65 0.00 0.00 -1.26 -0.07 120.51 122.48 2pii n ALA 111 Ca 0.04 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 53.01 2pii n ALA 111 Cb 0.04 -0.93 0.31 0.00 0.00 0.00 0.00 19.45 18.87 2pii n ALA 111 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61