#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1df7 s VAL 2 N 0.00 3.45 0.22 1.12 1.01 -1.26 -1.29 120.40 123.65 1df7 s VAL 2 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.60 1df7 s VAL 2 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1df7 s VAL 2 CO 0.00 0.45 -0.20 -0.83 0.00 0.00 0.00 175.10 174.52 1df7 s GLY 3 N 1.03 1.76 -0.05 4.51 0.00 0.98 -1.57 107.32 113.98 1df7 s GLY 3 Ca 0.00 -1.69 0.04 0.00 0.00 0.00 0.00 44.72 43.07 1df7 s GLY 3 CO 0.00 -1.74 -0.15 1.08 0.00 0.00 0.00 173.10 172.30 1df7 s LEU 4 N -2.98 2.70 -0.06 0.66 1.02 0.10 -0.41 118.68 119.71 1df7 s LEU 4 Ca 0.24 -0.21 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1df7 s LEU 4 Cb -0.07 -1.54 0.02 0.00 0.02 0.00 0.00 46.19 44.62 1df7 s LEU 4 CO 0.12 0.34 -0.07 -0.51 0.02 0.00 0.00 176.35 176.26 1df7 s ILE 5 N -0.72 0.73 0.19 -0.59 2.07 -0.65 -1.11 121.20 121.12 1df7 s ILE 5 Ca 0.11 -0.22 -0.16 0.00 -1.41 0.00 0.00 60.65 58.97 1df7 s ILE 5 Cb -0.11 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.78 1df7 s ILE 5 CO 0.00 0.27 0.49 -1.66 -1.91 0.00 0.00 174.94 172.14 1df7 s TRP 6 N 0.98 -0.06 -0.12 3.50 -2.14 -0.91 -4.52 118.94 115.66 1df7 s TRP 6 Ca -0.10 -0.28 0.03 0.00 2.66 0.00 0.00 56.10 58.41 1df7 s TRP 6 Cb -0.14 0.33 0.01 0.00 -3.10 0.00 0.00 33.47 30.57 1df7 s TRP 6 CO 0.00 -0.88 -0.20 0.00 -2.66 0.00 0.00 176.95 173.21 1df7 s ALA 7 N -3.88 2.05 0.08 2.67 0.00 -1.26 -1.53 121.76 119.90 1df7 s ALA 7 Ca 0.10 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1df7 s ALA 7 Cb -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 1df7 s ALA 7 CO -0.03 0.02 -0.15 1.14 0.00 0.00 0.00 175.76 176.73 1df7 s GLN 8 N 0.78 0.90 0.77 0.00 -2.07 0.15 -4.60 119.66 115.58 1df7 s GLN 8 Ca -0.09 -1.04 -0.11 0.00 -1.82 0.00 0.00 55.36 52.30 1df7 s GLN 8 Cb -0.16 -0.92 0.05 0.00 -1.09 0.00 0.00 33.01 30.90 1df7 s GLN 8 CO 0.00 0.20 1.08 0.00 -1.32 0.00 0.00 175.29 175.26 1df7 s ALA 9 N -1.42 2.28 0.41 2.60 0.00 -0.40 0.11 121.76 125.34 1df7 s ALA 9 Ca 0.01 0.12 0.14 0.00 0.00 0.00 0.00 51.96 52.23 1df7 s ALA 9 Cb -0.09 -3.22 0.99 0.00 0.00 0.00 0.00 23.12 20.80 1df7 s ALA 9 CO 0.03 -1.69 1.90 1.15 0.00 0.00 0.00 175.76 177.15 1df7 h THR 10 N -1.06 0.80 0.00 0.00 2.02 -1.55 -0.64 112.91 112.48 1df7 h THR 10 Ca -0.45 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1df7 h THR 10 Cb 1.24 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1df7 h THR 10 CO 0.54 0.09 0.00 -1.54 0.37 0.00 0.00 175.52 174.98 1df7 n SER 11 N -4.50 0.45 0.00 4.18 3.41 -1.26 -4.86 113.62 111.04 1df7 n SER 11 Ca 0.15 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 1df7 n SER 11 Cb 0.52 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1df7 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1df7 n GLY 12 N -0.43 0.34 3.71 5.00 0.00 -0.25 -4.83 105.19 108.74 1df7 n GLY 12 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1df7 n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1df7 s VAL 13 N -2.00 3.24 -0.01 1.61 1.01 -1.26 -0.81 120.40 122.18 1df7 s VAL 13 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1df7 s VAL 13 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1df7 s VAL 13 CO 0.00 0.06 0.02 2.30 0.00 0.00 0.00 175.10 177.48 1df7 n ILE 14 N 4.08 0.00 -3.58 2.22 -5.35 -0.50 -1.27 119.36 114.96 1df7 n ILE 14 Ca 0.12 -0.13 -0.17 0.00 -0.27 0.00 0.00 62.75 62.30 1df7 n ILE 14 Cb 0.42 0.61 -0.07 0.00 -1.74 0.00 0.00 39.64 38.86 1df7 n ILE 14 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1df7 s GLY 15 N -1.84 -0.48 -0.21 3.28 0.00 -1.06 -4.54 107.32 102.46 1df7 s GLY 15 Ca -0.00 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.68 1df7 s GLY 15 CO 0.03 0.75 0.51 -1.60 0.00 0.00 0.00 173.10 172.80 1df7 s ARG 16 N -1.25 0.50 -1.73 2.90 3.52 0.19 -1.09 118.95 121.98 1df7 s ARG 16 Ca -0.11 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1df7 s ARG 16 Cb -0.01 0.08 0.00 0.00 -1.56 0.00 0.00 34.95 33.46 1df7 s ARG 16 CO 0.08 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1df7 n GLY 17 N 4.39 0.10 2.15 8.12 0.00 -1.26 -2.00 105.19 116.69 1df7 n GLY 17 Ca -0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1df7 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1df7 n GLY 18 N -0.93 0.73 3.35 -0.02 0.00 -1.26 -5.03 105.19 102.02 1df7 n GLY 18 Ca -0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 1df7 n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1df7 s ASP 19 N -2.44 1.46 -0.27 1.61 -0.00 -0.85 -4.82 116.67 111.36 1df7 s ASP 19 Ca 0.00 -1.39 -0.21 0.00 -0.00 0.00 0.00 52.55 50.96 1df7 s ASP 19 Cb 0.00 0.12 -0.01 0.00 -0.00 0.00 0.00 42.92 43.02 1df7 s ASP 19 CO 0.00 -0.71 0.65 -0.63 -0.00 0.00 0.00 175.17 174.48 1df7 s ILE 20 N -3.65 4.96 0.00 0.77 1.01 -1.26 -0.64 121.20 122.38 1df7 s ILE 20 Ca 0.37 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1df7 s ILE 20 Cb 0.08 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.58 1df7 s ILE 20 CO 0.14 -0.04 1.32 -0.81 0.00 0.00 0.00 174.94 175.56 1df7 n PRO 21 N 5.79 0.67 -3.66 2.79 -0.04 -1.26 -4.80 135.00 134.49 1df7 n PRO 21 Ca -0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1df7 n PRO 21 Cb 0.49 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 1df7 n PRO 21 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1df7 s TRP 22 N 0.67 -0.20 -0.15 0.54 -2.14 -1.26 -5.12 118.94 111.27 1df7 s TRP 22 Ca 0.00 -0.04 0.02 0.00 2.66 0.00 0.00 56.10 58.74 1df7 s TRP 22 Cb 0.00 0.60 0.02 0.00 -3.10 0.00 0.00 33.47 30.99 1df7 s TRP 22 CO 0.00 -0.72 -0.19 0.50 -2.66 0.00 0.00 176.95 173.87 1df7 s ARG 23 N -3.22 2.82 -0.48 3.25 3.52 -1.26 -5.04 118.95 118.52 1df7 s ARG 23 Ca 0.10 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 1df7 s ARG 23 Cb -0.01 -2.37 0.18 0.00 -1.56 0.00 0.00 34.95 31.19 1df7 s ARG 23 CO -0.02 -0.12 0.61 -0.11 -0.81 0.00 0.00 175.30 174.85 1df7 n LEU 24 N 4.37 -2.52 -0.07 -0.88 7.94 -1.26 -4.80 117.00 119.77 1df7 n LEU 24 Ca -0.20 -3.38 0.15 0.00 -1.11 0.00 0.00 56.01 51.47 1df7 n LEU 24 Cb 0.51 0.69 0.56 0.00 0.53 0.00 0.00 43.42 45.71 1df7 n LEU 24 CO 0.26 1.91 1.19 1.55 -1.11 0.00 0.00 177.39 181.19 1df7 h PRO 25 N 5.20 0.27 -0.20 1.96 0.13 -2.00 -1.22 132.00 136.13 1df7 h PRO 25 Ca 0.13 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1df7 h PRO 25 Cb 1.05 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1df7 h PRO 25 CO 0.13 0.18 -0.05 0.93 -0.23 0.00 0.00 178.00 178.95 1df7 h GLU 26 N 0.28 0.31 -0.10 0.86 3.07 -2.00 -0.93 114.58 116.06 1df7 h GLU 26 Ca 0.29 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1df7 h GLU 26 Cb 0.76 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1df7 h GLU 26 CO -0.07 0.38 -0.47 0.22 -1.40 0.00 0.00 179.01 177.67 1df7 h ASP 27 N 0.30 0.28 -0.08 1.42 3.58 -1.65 -2.18 116.42 118.09 1df7 h ASP 27 Ca 0.07 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 1df7 h ASP 27 Cb 0.29 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1df7 h ASP 27 CO 0.01 0.71 -0.24 1.56 -2.88 0.00 0.00 179.24 178.40 1df7 h GLN 28 N 0.21 0.50 -0.38 0.28 4.20 -1.12 -0.05 115.11 118.75 1df7 h GLN 28 Ca 0.01 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1df7 h GLN 28 Cb 0.91 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1df7 h GLN 28 CO 0.07 0.70 0.01 0.00 -0.67 0.00 0.00 178.83 178.95 1df7 h ALA 29 N 1.30 0.51 -0.42 3.87 0.00 -1.16 -1.04 119.26 122.33 1df7 h ALA 29 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1df7 h ALA 29 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1df7 h ALA 29 CO 0.05 0.28 0.26 1.25 0.00 0.00 0.00 179.25 181.08 1df7 h HIS 30 N 0.49 0.54 -0.45 0.00 -0.00 -1.12 -0.47 115.15 114.14 1df7 h HIS 30 Ca 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.54 1df7 h HIS 30 Cb 0.46 -0.18 -0.05 0.00 -0.00 0.00 0.00 27.41 27.64 1df7 h HIS 30 CO 0.04 0.37 0.17 0.35 -0.00 0.00 0.00 177.93 178.85 1df7 h PHE 31 N 0.55 0.30 -0.29 5.26 3.57 -0.76 0.22 116.94 125.79 1df7 h PHE 31 Ca 0.15 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 1df7 h PHE 31 Cb -0.02 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1df7 h PHE 31 CO -0.04 0.11 0.17 -0.09 -2.23 0.00 0.00 178.31 176.24 1df7 h ARG 32 N 0.34 0.39 -0.74 1.11 2.43 -0.79 -0.26 114.38 116.87 1df7 h ARG 32 Ca 0.21 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1df7 h ARG 32 Cb 0.19 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 1df7 h ARG 32 CO -0.21 0.31 0.43 0.93 -1.51 0.00 0.00 179.97 179.93 1df7 h GLU 33 N 0.37 0.78 -0.07 0.20 5.08 -0.52 0.28 114.58 120.69 1df7 h GLU 33 Ca 0.10 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1df7 h GLU 33 Cb 0.02 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1df7 h GLU 33 CO -0.02 0.52 -0.33 0.82 -1.00 0.00 0.00 179.01 179.00 1df7 h ILE 34 N 0.80 1.42 0.00 3.13 1.08 -0.49 -3.37 117.51 120.08 1df7 h ILE 34 Ca 0.32 -1.72 -0.05 0.00 -0.39 0.00 0.00 64.86 63.02 1df7 h ILE 34 Cb 0.16 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.20 1df7 h ILE 34 CO -0.17 0.50 -0.66 0.71 -0.69 0.00 0.00 178.15 177.84 1df7 h THR 35 N -0.13 0.25 -2.49 -0.27 1.35 -0.92 -3.48 112.91 107.23 1df7 h THR 35 Ca -0.02 -1.40 -0.61 0.00 -0.55 0.00 0.00 66.41 63.83 1df7 h THR 35 Cb 0.97 1.92 0.09 0.00 -1.73 0.00 0.00 68.15 69.41 1df7 h THR 35 CO 0.07 0.14 0.36 0.80 -0.25 0.00 0.00 175.52 176.64 1df7 n MET 36 N -2.95 1.61 -0.98 4.72 0.00 0.08 -1.82 117.12 117.78 1df7 n MET 36 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 57.70 58.27 1df7 n MET 36 Cb 0.63 -2.09 0.00 0.00 0.00 0.00 0.00 33.22 31.76 1df7 n MET 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1df7 n GLY 37 N 1.67 0.73 3.68 -5.12 0.00 -0.36 -5.01 105.19 100.77 1df7 n GLY 37 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1df7 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1df7 s HIS 38 N -3.00 1.92 0.03 1.61 4.02 -0.75 -4.94 115.29 114.18 1df7 s HIS 38 Ca 0.00 -1.00 -0.23 0.00 1.02 0.00 0.00 55.06 54.85 1df7 s HIS 38 Cb 0.00 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.58 29.99 1df7 s HIS 38 CO 0.00 0.12 0.69 0.99 1.02 0.00 0.00 174.74 177.56 1df7 s THR 39 N -2.95 4.78 -0.03 1.30 2.01 -1.19 -2.10 115.64 117.46 1df7 s THR 39 Ca 0.14 1.46 0.06 0.00 0.31 0.00 0.00 61.69 63.66 1df7 s THR 39 Cb 0.03 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1df7 s THR 39 CO 0.08 0.41 -0.21 0.27 -0.69 0.00 0.00 174.62 174.47 1df7 s ILE 40 N -0.23 2.46 -0.09 1.82 -4.36 0.11 -1.46 121.20 119.45 1df7 s ILE 40 Ca 0.35 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.80 1df7 s ILE 40 Cb -0.20 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 1df7 s ILE 40 CO 0.21 0.57 -0.23 -0.69 0.24 0.00 0.00 174.94 175.04 1df7 s VAL 41 N -0.67 2.21 0.05 8.37 1.01 0.02 -0.81 120.40 130.59 1df7 s VAL 41 Ca 0.11 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1df7 s VAL 41 Cb -0.10 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 1df7 s VAL 41 CO -0.00 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.80 1df7 s MET 42 N 0.15 0.69 0.73 2.72 0.23 -0.11 -0.75 119.30 122.96 1df7 s MET 42 Ca -0.12 -0.79 -0.11 0.00 -1.03 0.00 0.00 55.69 53.63 1df7 s MET 42 Cb -0.16 0.28 0.03 0.00 -1.53 0.00 0.00 34.83 33.44 1df7 s MET 42 CO 0.07 -0.19 1.07 0.20 -2.03 0.00 0.00 175.02 174.14 1df7 s GLY 43 N -2.35 1.65 0.36 3.16 0.00 0.20 -0.71 107.32 109.63 1df7 s GLY 43 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.70 1df7 s GLY 43 CO -0.06 0.31 2.00 -0.09 0.00 0.00 0.00 173.10 175.26 1df7 h ARG 44 N -0.82 0.80 -0.53 2.90 1.12 -1.63 -1.89 114.38 114.32 1df7 h ARG 44 Ca -0.45 -0.05 -0.10 0.00 -1.11 0.00 0.00 59.98 58.28 1df7 h ARG 44 Cb 1.23 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.99 1df7 h ARG 44 CO 0.58 0.53 -0.05 0.00 -3.11 0.00 0.00 179.97 177.92 1df7 h ARG 45 N 0.82 0.94 -0.73 0.20 3.08 -1.92 -1.00 114.38 115.77 1df7 h ARG 45 Ca 0.25 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1df7 h ARG 45 Cb -0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1df7 h ARG 45 CO -0.06 0.96 0.30 1.15 -1.07 0.00 0.00 179.97 181.25 1df7 h THR 46 N 0.86 1.25 -0.01 2.04 2.02 -1.71 -1.38 112.91 115.98 1df7 h THR 46 Ca 0.15 -0.77 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1df7 h THR 46 Cb 0.57 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1df7 h THR 46 CO 0.03 0.31 -0.14 -0.25 0.37 0.00 0.00 175.52 175.84 1df7 h TRP 47 N 1.04 -0.37 -0.87 3.16 2.91 -0.94 -2.21 115.95 118.67 1df7 h TRP 47 Ca 0.24 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.41 1df7 h TRP 47 Cb 0.20 0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 28.95 1df7 h TRP 47 CO 0.02 -0.21 0.56 -0.44 -1.03 0.00 0.00 178.44 177.34 1df7 h ASP 48 N -0.24 0.67 0.92 2.65 3.45 -0.90 -1.24 116.42 121.73 1df7 h ASP 48 Ca 0.05 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1df7 h ASP 48 Cb 0.30 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1df7 h ASP 48 CO -0.14 0.36 0.00 -1.54 -1.57 0.00 0.00 179.24 176.34 1df7 n SER 49 N -4.55 0.72 -4.75 6.45 3.41 -0.55 -4.81 113.62 109.55 1df7 n SER 49 Ca 0.16 0.65 -0.41 0.00 -0.26 0.00 0.00 58.87 59.01 1df7 n SER 49 Cb 0.42 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 1df7 n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1df7 s LEU 50 N -4.53 4.42 0.49 1.04 1.43 -0.47 -4.95 118.68 116.11 1df7 s LEU 50 Ca 0.06 2.57 -0.23 0.00 -1.03 0.00 0.00 54.13 55.50 1df7 s LEU 50 Cb 0.10 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.63 1df7 s LEU 50 CO 0.45 -0.55 1.31 -2.84 0.23 0.00 0.00 176.35 174.94 1df7 s PRO 51 N -0.89 3.49 0.44 1.29 0.02 -1.26 -4.83 135.00 133.26 1df7 s PRO 51 Ca 0.54 2.13 0.22 0.00 0.02 0.00 0.00 61.00 63.90 1df7 s PRO 51 Cb -0.39 -2.42 1.19 0.00 0.02 0.00 0.00 34.50 32.90 1df7 s PRO 51 CO 0.45 -0.88 1.84 0.00 -0.33 0.00 0.00 177.00 178.09 1df7 h ALA 52 N 1.90 2.39 0.00 -1.55 0.00 -1.92 -0.89 119.26 119.19 1df7 h ALA 52 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1df7 h ALA 52 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1df7 h ALA 52 CO 0.59 -0.69 0.00 1.57 0.00 0.00 0.00 179.25 180.72 1df7 h LYS 53 N 0.30 0.00 -0.25 0.00 2.10 -1.97 -2.94 116.57 113.82 1df7 h LYS 53 Ca 0.49 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.93 1df7 h LYS 53 Cb 1.40 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.47 1df7 h LYS 53 CO -0.16 0.00 -0.81 1.33 -2.00 0.00 0.00 179.45 177.81 1df7 n VAL 54 N -2.63 1.57 -3.96 0.07 0.24 -0.36 -4.94 118.33 108.31 1df7 n VAL 54 Ca 0.01 -2.85 -0.31 0.00 -2.04 0.00 0.00 64.34 59.15 1df7 n VAL 54 Cb 0.23 0.12 -0.15 0.00 -1.47 0.00 0.00 33.84 32.57 1df7 n VAL 54 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1df7 s ARG 55 N -2.60 1.51 0.75 7.34 3.52 -1.04 -1.89 118.95 126.53 1df7 s ARG 55 Ca 0.38 -1.44 -0.11 0.00 -0.13 0.00 0.00 55.73 54.44 1df7 s ARG 55 Cb 0.38 -2.80 0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1df7 s ARG 55 CO -0.06 -0.80 1.08 -1.25 -0.81 0.00 0.00 175.30 173.45 1df7 s PRO 56 N 1.18 2.51 -0.00 5.12 0.04 -1.26 -4.92 135.00 137.67 1df7 s PRO 56 Ca 0.03 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 1df7 s PRO 56 Cb -0.19 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1df7 s PRO 56 CO -0.10 -1.39 1.38 -0.51 0.04 0.00 0.00 177.00 176.42 1df7 s LEU 57 N -5.71 4.31 0.49 -3.56 1.43 -0.79 -4.97 118.68 109.88 1df7 s LEU 57 Ca 0.60 2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 55.56 1df7 s LEU 57 Cb -0.15 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 1df7 s LEU 57 CO 0.55 -0.70 1.21 -2.16 0.23 0.00 0.00 176.35 175.48 1df7 s PRO 58 N 2.36 3.56 0.00 1.29 0.04 -1.26 -3.50 135.00 137.48 1df7 s PRO 58 Ca 0.63 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1df7 s PRO 58 Cb -0.31 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1df7 s PRO 58 CO 0.26 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1df7 n GLY 59 N 0.50 0.44 3.03 0.56 0.00 -1.26 -4.87 105.19 103.59 1df7 n GLY 59 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1df7 n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1df7 s ARG 60 N -0.28 0.45 -0.46 1.61 0.52 -1.23 -1.23 118.95 118.34 1df7 s ARG 60 Ca 0.00 -0.65 -0.26 0.00 -0.52 0.00 0.00 55.73 54.30 1df7 s ARG 60 Cb 0.00 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.30 1df7 s ARG 60 CO 0.00 0.03 0.95 0.50 0.02 0.00 0.00 175.30 176.81 1df7 s ARG 61 N -1.38 3.59 -0.12 3.54 3.52 -0.89 -4.84 118.95 122.37 1df7 s ARG 61 Ca -0.10 0.25 -0.24 0.00 -0.13 0.00 0.00 55.73 55.51 1df7 s ARG 61 Cb -0.09 -3.91 -0.03 0.00 -1.56 0.00 0.00 34.95 29.36 1df7 s ARG 61 CO 0.00 -1.22 0.74 -0.80 -0.81 0.00 0.00 175.30 173.21 1df7 s ASN 62 N 2.26 6.95 -0.09 -2.12 -0.87 -1.26 -0.72 114.94 119.09 1df7 s ASN 62 Ca 0.39 1.15 0.03 0.00 -1.57 0.00 0.00 52.86 52.85 1df7 s ASN 62 Cb -0.10 -2.42 0.01 0.00 -0.02 0.00 0.00 41.25 38.72 1df7 s ASN 62 CO 0.26 -0.23 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.70 1df7 s VAL 63 N 1.40 1.57 -0.14 1.60 1.01 0.01 -0.36 120.40 125.49 1df7 s VAL 63 Ca 0.37 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1df7 s VAL 63 Cb -0.17 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.82 1df7 s VAL 63 CO 0.16 0.45 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1df7 s VAL 64 N 0.66 1.95 -0.03 2.92 1.01 0.12 -0.93 120.40 126.09 1df7 s VAL 64 Ca -0.13 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 1df7 s VAL 64 Cb -0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1df7 s VAL 64 CO 0.04 0.53 0.70 -0.76 0.00 0.00 0.00 175.10 175.60 1df7 s LEU 65 N 0.93 4.36 -0.05 3.92 2.01 0.11 -1.31 118.68 128.64 1df7 s LEU 65 Ca -0.05 1.24 -0.19 0.00 0.01 0.00 0.00 54.13 55.14 1df7 s LEU 65 Cb -0.15 -3.09 0.04 0.00 0.01 0.00 0.00 46.19 43.00 1df7 s LEU 65 CO -0.04 -0.06 0.44 -0.55 1.01 0.00 0.00 176.35 177.16 1df7 s SER 66 N 0.47 -0.37 0.00 2.29 0.15 -0.53 -1.54 113.70 114.16 1df7 s SER 66 Ca 0.37 0.42 0.25 0.00 0.70 0.00 0.00 55.95 57.68 1df7 s SER 66 Cb -0.18 0.50 0.45 0.00 -1.71 0.00 0.00 66.02 65.07 1df7 s SER 66 CO 0.19 -0.44 1.37 0.54 1.20 0.00 0.00 173.24 176.11 1df7 n ARG 67 N 1.47 0.23 -2.58 5.44 1.74 -1.26 -4.06 116.66 117.63 1df7 n ARG 67 Ca -0.19 -0.15 -0.42 0.00 -0.77 0.00 0.00 57.85 56.32 1df7 n ARG 67 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1df7 n ARG 67 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1df7 s GLN 68 N -2.87 4.53 0.00 5.56 -0.21 -1.26 -5.00 119.66 120.42 1df7 s GLN 68 Ca 0.14 1.59 0.00 0.00 0.02 0.00 0.00 55.36 57.10 1df7 s GLN 68 Cb 0.18 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.80 1df7 s GLN 68 CO 0.68 -0.08 0.50 0.00 -2.12 0.00 0.00 175.29 174.26 1df7 n ALA 69 N 3.60 0.00 -3.20 6.09 0.00 -1.26 -2.56 120.51 123.18 1df7 n ALA 69 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 1df7 n ALA 69 Cb 0.49 0.25 -0.05 0.00 0.00 0.00 0.00 19.45 20.13 1df7 n ALA 69 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1df7 n ASP 70 N -1.58 4.46 -4.77 0.00 2.03 -1.26 -5.04 116.55 110.39 1df7 n ASP 70 Ca 0.00 -3.53 -0.40 0.00 0.52 0.00 0.00 54.79 51.39 1df7 n ASP 70 Cb 0.00 -0.73 -0.02 0.00 -0.72 0.00 0.00 41.12 39.64 1df7 n ASP 70 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1df7 s PHE 71 N -2.90 3.16 -0.27 -0.67 5.36 -1.06 -4.99 117.98 116.61 1df7 s PHE 71 Ca 0.41 1.52 -0.08 0.00 -0.96 0.00 0.00 56.93 57.83 1df7 s PHE 71 Cb 0.18 -3.50 -0.02 0.00 -0.34 0.00 0.00 43.02 39.34 1df7 s PHE 71 CO -0.04 -1.41 0.09 -1.64 -1.46 0.00 0.00 175.22 170.77 1df7 s MET 72 N -1.90 3.48 -0.35 10.12 -1.94 -1.26 -4.93 119.30 122.51 1df7 s MET 72 Ca 0.51 -0.60 -0.00 0.00 -1.71 0.00 0.00 55.69 53.88 1df7 s MET 72 Cb -0.35 -3.40 0.12 0.00 2.01 0.00 0.00 34.83 33.21 1df7 s MET 72 CO 0.45 -0.29 0.16 0.00 -0.01 0.00 0.00 175.02 175.34 1df7 s ALA 73 N 1.60 1.51 0.09 3.03 0.00 -1.26 -5.11 121.76 121.61 1df7 s ALA 73 Ca 0.05 -1.91 -0.31 0.00 0.00 0.00 0.00 51.96 49.79 1df7 s ALA 73 Cb -0.16 -1.67 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1df7 s ALA 73 CO 0.04 -1.86 1.53 -1.54 0.00 0.00 0.00 175.76 173.93 1df7 s SER 74 N 1.20 6.69 0.00 0.00 1.04 -1.26 -2.03 113.70 119.34 1df7 s SER 74 Ca 0.13 2.42 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1df7 s SER 74 Cb -0.20 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1df7 s SER 74 CO -0.14 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1df7 n GLY 75 N 3.77 0.73 3.16 7.32 0.00 -1.26 -4.27 105.19 114.64 1df7 n GLY 75 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1df7 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1df7 s ALA 76 N -2.31 0.97 -0.32 4.61 0.00 -0.86 -4.55 121.76 119.29 1df7 s ALA 76 Ca 0.00 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 1df7 s ALA 76 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1df7 s ALA 76 CO 0.00 -0.18 0.41 -2.00 0.00 0.00 0.00 175.76 173.98 1df7 s GLU 77 N -3.47 3.72 -0.12 0.00 2.12 0.51 -4.80 118.70 116.66 1df7 s GLU 77 Ca 0.09 -0.20 -0.20 0.00 0.36 0.00 0.00 54.97 55.02 1df7 s GLU 77 Cb 0.03 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1df7 s GLU 77 CO -0.03 -0.48 0.56 0.08 -0.54 0.00 0.00 175.26 174.85 1df7 s VAL 78 N 2.14 5.12 0.18 3.70 1.01 -1.26 -0.70 120.40 130.59 1df7 s VAL 78 Ca 0.15 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.31 1df7 s VAL 78 Cb -0.16 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1df7 s VAL 78 CO 0.12 0.27 -0.14 0.68 0.00 0.00 0.00 175.10 176.03 1df7 s VAL 79 N 0.89 1.58 -1.63 2.92 -7.23 -0.43 -4.94 120.40 111.57 1df7 s VAL 79 Ca 0.29 -2.10 0.14 0.00 -1.81 0.00 0.00 61.98 58.51 1df7 s VAL 79 Cb -0.16 -1.92 0.16 0.00 0.56 0.00 0.00 36.38 35.02 1df7 s VAL 79 CO 0.12 -0.58 1.02 0.61 -0.31 0.00 0.00 175.10 175.96 1df7 n GLY 80 N -0.17 0.49 3.26 2.32 0.00 -1.26 -1.46 105.19 108.38 1df7 n GLY 80 Ca -0.10 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1df7 n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1df7 s SER 81 N -1.13 -0.02 0.22 1.61 1.04 -1.26 -4.82 113.70 109.33 1df7 s SER 81 Ca 0.19 -0.54 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 1df7 s SER 81 Cb 0.12 0.40 0.19 0.00 0.10 0.00 0.00 66.02 66.83 1df7 s SER 81 CO 0.18 -0.79 1.68 0.25 0.98 0.00 0.00 173.24 175.54 1df7 h LEU 82 N 2.58 0.90 -0.79 2.42 6.46 -1.99 -2.67 115.31 122.21 1df7 h LEU 82 Ca -0.34 -0.25 0.08 0.00 -0.12 0.00 0.00 57.88 57.25 1df7 h LEU 82 Cb 1.22 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.85 1df7 h LEU 82 CO 0.52 0.98 0.46 1.05 -0.62 0.00 0.00 178.44 180.82 1df7 h GLU 83 N 0.84 0.77 0.00 1.25 4.11 -1.96 0.19 114.58 119.78 1df7 h GLU 83 Ca 0.15 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.40 1df7 h GLU 83 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1df7 h GLU 83 CO 0.03 0.51 -0.61 0.93 0.07 0.00 0.00 179.01 179.95 1df7 h GLU 84 N 0.80 0.00 0.02 1.06 5.08 -1.95 -3.29 114.58 116.30 1df7 h GLU 84 Ca 0.37 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.50 1df7 h GLU 84 Cb 0.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.55 1df7 h GLU 84 CO -0.22 0.61 -0.92 0.00 -1.00 0.00 0.00 179.01 177.47 1df7 h ALA 85 N 1.39 0.09 -0.55 3.43 0.00 -0.98 -3.36 119.26 119.28 1df7 h ALA 85 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 54.91 53.94 1df7 h ALA 85 Cb 1.12 0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.81 1df7 h ALA 85 CO 0.08 0.57 0.39 1.28 0.00 0.00 0.00 179.25 181.56 1df7 n LEU 86 N -3.97 5.37 0.08 0.00 4.77 0.58 -4.50 117.00 119.33 1df7 n LEU 86 Ca -0.11 -2.81 -0.06 0.00 -0.03 0.00 0.00 56.01 52.99 1df7 n LEU 86 Cb 0.83 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1df7 n LEU 86 CO 0.53 0.89 0.20 0.71 -1.33 0.00 0.00 177.39 178.40 1df7 h THR 87 N 0.64 1.66 -3.94 -5.08 1.35 -1.72 -3.46 112.91 102.36 1df7 h THR 87 Ca 0.35 -3.16 -0.52 0.00 -0.55 0.00 0.00 66.41 62.53 1df7 h THR 87 Cb 1.81 2.71 0.07 0.00 -1.73 0.00 0.00 68.15 71.01 1df7 h THR 87 CO 0.66 0.90 0.56 -0.44 -0.25 0.00 0.00 175.52 176.96 1df7 s SER 88 N -6.75 6.46 0.51 5.36 0.01 -1.26 -4.94 113.70 113.08 1df7 s SER 88 Ca 0.00 2.51 0.20 0.00 1.31 0.00 0.00 55.95 59.98 1df7 s SER 88 Cb 0.10 -2.63 1.32 0.00 0.21 0.00 0.00 66.02 65.03 1df7 s SER 88 CO 0.81 -0.74 2.10 -0.65 0.41 0.00 0.00 173.24 175.18 1df7 h PRO 89 N 2.74 0.00 -2.88 12.44 0.11 -1.88 -3.34 132.00 139.17 1df7 h PRO 89 Ca -0.49 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 1df7 h PRO 89 Cb 1.24 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.95 1df7 h PRO 89 CO 0.63 0.09 -0.76 -1.21 -0.21 0.00 0.00 178.00 176.53 1df7 s GLU 90 N -4.67 1.22 -0.10 1.05 0.41 -1.25 0.81 118.70 116.17 1df7 s GLU 90 Ca -0.04 -2.00 0.00 0.00 -0.41 0.00 0.00 54.97 52.52 1df7 s GLU 90 Cb 0.15 -2.17 -0.02 0.00 -1.78 0.00 0.00 34.13 30.31 1df7 s GLU 90 CO 0.64 -1.19 -0.10 0.99 -0.49 0.00 0.00 175.26 175.10 1df7 s THR 91 N 0.32 3.37 -0.20 3.63 2.01 -0.41 -3.20 115.64 121.16 1df7 s THR 91 Ca 0.19 -0.57 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1df7 s THR 91 Cb -0.21 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.91 1df7 s THR 91 CO -0.02 0.55 -0.10 0.26 -0.69 0.00 0.00 174.62 174.62 1df7 s TRP 92 N -0.17 2.89 -0.24 4.92 0.52 -0.53 -0.01 118.94 126.31 1df7 s TRP 92 Ca 0.01 -1.18 -0.23 0.00 0.02 0.00 0.00 56.10 54.72 1df7 s TRP 92 Cb -0.13 -2.04 -0.01 0.00 -1.15 0.00 0.00 33.47 30.14 1df7 s TRP 92 CO 0.03 -0.64 0.75 0.08 0.02 0.00 0.00 176.95 177.19 1df7 s VAL 93 N 1.39 4.90 -0.59 4.03 1.01 0.45 -0.80 120.40 130.80 1df7 s VAL 93 Ca 0.05 1.39 0.14 0.00 0.00 0.00 0.00 61.98 63.57 1df7 s VAL 93 Cb -0.14 -4.04 0.44 0.00 0.00 0.00 0.00 36.38 32.64 1df7 s VAL 93 CO -0.07 -0.03 1.36 2.30 0.00 0.00 0.00 175.10 178.67 1df7 n ILE 94 N 5.20 1.66 0.00 2.22 -5.35 0.07 -1.63 119.36 121.53 1df7 n ILE 94 Ca 0.03 -1.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.09 1df7 n ILE 94 Cb 0.48 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1df7 n ILE 94 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1df7 n GLY 95 N 0.08 0.97 0.00 3.28 0.00 -1.26 -4.95 105.19 103.32 1df7 n GLY 95 Ca 0.17 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1df7 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1df7 n GLY 96 N -1.61 1.88 0.23 -0.02 0.00 -1.26 -0.62 105.19 103.79 1df7 n GLY 96 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1df7 n GLY 96 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1df7 h GLY 97 N 0.00 0.84 0.82 -0.02 0.00 -1.94 -0.32 103.07 102.45 1df7 h GLY 97 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1df7 h GLY 97 CO 0.00 -0.06 0.03 1.46 0.00 0.00 0.00 176.54 177.97 1df7 h GLN 98 N 0.36 0.16 -0.23 4.80 4.20 -1.93 -2.64 115.11 119.83 1df7 h GLN 98 Ca 0.31 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.90 1df7 h GLN 98 Cb 0.42 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1df7 h GLN 98 CO -0.34 0.33 -0.24 0.28 -0.67 0.00 0.00 178.83 178.19 1df7 h VAL 99 N -0.03 1.26 -0.58 -0.54 2.07 -1.74 -1.47 116.25 115.21 1df7 h VAL 99 Ca 0.03 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1df7 h VAL 99 Cb 0.24 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1df7 h VAL 99 CO -0.00 0.38 0.27 1.88 0.02 0.00 0.00 177.57 180.12 1df7 h TYR 100 N 0.39 0.85 -0.38 1.57 0.99 -1.02 0.71 116.97 120.09 1df7 h TYR 100 Ca 0.06 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1df7 h TYR 100 Cb 0.63 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 38.08 1df7 h TYR 100 CO 0.02 0.66 0.22 0.00 -0.00 0.00 0.00 178.16 179.06 1df7 h ALA 101 N 1.11 0.49 -0.30 3.88 0.00 -1.17 -0.44 119.26 122.82 1df7 h ALA 101 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1df7 h ALA 101 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1df7 h ALA 101 CO -0.02 0.01 0.11 1.25 0.00 0.00 0.00 179.25 180.59 1df7 h LEU 102 N 0.50 0.43 0.00 0.00 5.85 -1.04 -3.27 115.31 117.78 1df7 h LEU 102 Ca 0.14 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1df7 h LEU 102 Cb 0.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1df7 h LEU 102 CO -0.02 0.50 -0.23 0.00 -0.34 0.00 0.00 178.44 178.35 1df7 h ALA 103 N 0.95 0.89 -0.65 1.25 0.00 -0.73 -3.39 119.26 117.57 1df7 h ALA 103 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1df7 h ALA 103 Cb 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 1df7 h ALA 103 CO -0.01 0.00 -0.13 1.25 0.00 0.00 0.00 179.25 180.37 1df7 h LEU 104 N 0.00 -0.54 -2.47 0.00 6.46 -1.13 0.87 115.31 118.50 1df7 h LEU 104 Ca 0.00 0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1df7 h LEU 104 Cb 0.99 0.38 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1df7 h LEU 104 CO 0.00 -0.20 0.11 -0.65 -0.62 0.00 0.00 178.44 177.08 1df7 h PRO 105 N 0.02 0.00 -0.01 5.25 0.11 -1.80 0.50 132.00 136.07 1df7 h PRO 105 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1df7 h PRO 105 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1df7 h PRO 105 CO -0.65 0.00 -0.32 0.66 -0.21 0.00 0.00 178.00 177.48 1df7 n TYR 106 N -3.52 0.00 -3.28 0.65 4.02 0.28 -4.95 117.16 110.36 1df7 n TYR 106 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.54 1df7 n TYR 106 Cb 0.20 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1df7 n TYR 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1df7 s ALA 107 N -2.65 3.49 0.00 -0.72 0.00 0.16 -4.43 121.76 117.62 1df7 s ALA 107 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1df7 s ALA 107 Cb 0.19 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1df7 s ALA 107 CO 0.57 0.42 0.27 0.25 0.00 0.00 0.00 175.76 177.27 1df7 n THR 108 N 0.35 0.00 -3.83 0.00 -2.24 -0.61 -4.90 114.28 103.05 1df7 n THR 108 Ca -0.02 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1df7 n THR 108 Cb 0.52 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 1df7 n THR 108 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1df7 s ARG 109 N -0.32 0.24 -0.02 -0.78 0.52 -1.22 -1.40 118.95 115.97 1df7 s ARG 109 Ca 0.00 0.09 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 1df7 s ARG 109 Cb 0.00 0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.58 1df7 s ARG 109 CO 0.00 -0.04 -0.09 0.00 0.02 0.00 0.00 175.30 175.19 1df7 s GLU 111 N 0.16 1.82 -0.08 0.00 0.41 -0.27 -0.30 118.70 120.45 1df7 s GLU 111 Ca -0.03 -1.66 0.01 0.00 -0.41 0.00 0.00 54.97 52.89 1df7 s GLU 111 Cb -0.08 -3.12 -0.03 0.00 -1.78 0.00 0.00 34.13 29.13 1df7 s GLU 111 CO 0.00 -0.80 -0.10 0.08 -0.49 0.00 0.00 175.26 173.95 1df7 s VAL 112 N 1.00 3.39 -0.25 2.63 1.01 -0.17 -2.15 120.40 125.87 1df7 s VAL 112 Ca 0.03 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1df7 s VAL 112 Cb -0.20 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1df7 s VAL 112 CO -0.06 0.58 -0.01 -0.89 0.00 0.00 0.00 175.10 174.71 1df7 s THR 113 N -0.51 3.47 -0.16 3.92 2.01 -0.58 0.26 115.64 124.05 1df7 s THR 113 Ca 0.07 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 1df7 s THR 113 Cb -0.12 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1df7 s THR 113 CO 0.02 0.28 0.34 -0.70 -0.69 0.00 0.00 174.62 173.87 1df7 s GLU 114 N 1.46 4.26 -0.25 4.92 2.12 0.76 -0.68 118.70 131.29 1df7 s GLU 114 Ca 0.04 0.17 -0.07 0.00 0.36 0.00 0.00 54.97 55.47 1df7 s GLU 114 Cb -0.16 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1df7 s GLU 114 CO -0.02 0.17 0.06 0.08 -0.54 0.00 0.00 175.26 175.02 1df7 s VAL 115 N 0.65 4.22 -1.38 3.70 1.01 0.12 -1.60 120.40 127.12 1df7 s VAL 115 Ca 0.18 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1df7 s VAL 115 Cb -0.14 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.29 1df7 s VAL 115 CO 0.06 0.34 2.14 -0.67 0.00 0.00 0.00 175.10 176.96 1df7 n ASP 116 N 4.91 3.88 -4.09 3.32 2.03 0.06 -1.84 116.55 124.82 1df7 n ASP 116 Ca -0.16 -2.83 -0.23 0.00 0.52 0.00 0.00 54.79 52.08 1df7 n ASP 116 Cb 0.51 -1.62 -0.16 0.00 -0.72 0.00 0.00 41.12 39.13 1df7 n ASP 116 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1df7 s ILE 117 N 3.60 1.14 -0.51 5.18 2.07 -1.26 -4.47 121.20 126.93 1df7 s ILE 117 Ca 0.49 -0.57 -0.28 0.00 -1.41 0.00 0.00 60.65 58.88 1df7 s ILE 117 Cb 0.13 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.76 1df7 s ILE 117 CO -0.05 0.33 1.38 -0.83 -1.91 0.00 0.00 174.94 173.87 1df7 s GLY 118 N -0.04 0.99 -0.44 1.50 0.00 -1.26 -4.28 107.32 103.79 1df7 s GLY 118 Ca -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 44.72 44.25 1df7 s GLY 118 CO 0.01 2.75 0.47 -0.10 0.00 0.00 0.00 173.10 176.23 1df7 n LEU 119 N 9.19 -1.30 -4.67 0.66 7.94 -1.26 -5.13 117.00 122.43 1df7 n LEU 119 Ca 0.13 -3.98 -0.42 0.00 -1.11 0.00 0.00 56.01 50.63 1df7 n LEU 119 Cb 0.49 0.62 -0.00 0.00 0.53 0.00 0.00 43.42 45.06 1df7 n LEU 119 CO 0.71 1.90 0.80 -2.65 -1.11 0.00 0.00 177.39 177.04 1df7 n PRO 120 N 2.74 1.85 -1.90 1.96 -0.02 -1.26 -4.62 135.00 133.75 1df7 n PRO 120 Ca 0.26 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 1df7 n PRO 120 Cb 0.51 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1df7 n PRO 120 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1df7 s ARG 121 N -1.93 3.90 0.10 -0.52 0.52 -1.26 -5.03 118.95 114.73 1df7 s ARG 121 Ca 0.58 2.36 0.08 0.00 -0.52 0.00 0.00 55.73 58.23 1df7 s ARG 121 Cb -0.57 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1df7 s ARG 121 CO 0.60 -0.62 -0.21 -1.21 0.02 0.00 0.00 175.30 173.88 1df7 s GLU 122 N -2.27 1.13 0.22 3.54 2.02 -1.26 -5.10 118.70 116.99 1df7 s GLU 122 Ca 0.57 -1.16 -0.32 0.00 0.02 0.00 0.00 54.97 54.09 1df7 s GLU 122 Cb -0.42 -1.40 -0.13 0.00 0.10 0.00 0.00 34.13 32.28 1df7 s GLU 122 CO 0.55 0.33 1.47 0.00 0.02 0.00 0.00 175.26 177.63 1df7 n ALA 123 N 1.11 1.27 -0.12 5.21 0.00 -1.26 -1.90 120.51 124.82 1df7 n ALA 123 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1df7 n ALA 123 Cb 0.53 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1df7 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1df7 n GLY 124 N 2.50 0.84 3.76 0.00 0.00 -1.26 -5.05 105.19 105.98 1df7 n GLY 124 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1df7 n GLY 124 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1df7 s ASP 125 N -2.78 5.14 0.07 1.61 1.01 -0.80 -4.86 116.67 116.06 1df7 s ASP 125 Ca 0.00 2.27 -0.22 0.00 0.71 0.00 0.00 52.55 55.31 1df7 s ASP 125 Cb 0.00 -2.58 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1df7 s ASP 125 CO 0.00 -1.62 0.66 0.00 0.21 0.00 0.00 175.17 174.43 1df7 s ALA 126 N -1.82 3.48 0.17 5.23 0.00 -0.25 -4.97 121.76 123.60 1df7 s ALA 126 Ca 0.74 0.16 0.09 0.00 0.00 0.00 0.00 51.96 52.95 1df7 s ALA 126 Cb -0.27 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1df7 s ALA 126 CO 0.35 0.24 -0.19 -0.51 0.00 0.00 0.00 175.76 175.65 1df7 s LEU 127 N -0.64 2.45 0.51 0.00 1.43 -1.26 -1.41 118.68 119.75 1df7 s LEU 127 Ca 0.33 -0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 1df7 s LEU 127 Cb -0.20 -0.87 -0.08 0.00 0.03 0.00 0.00 46.19 45.07 1df7 s LEU 127 CO 0.21 -0.02 1.04 0.00 0.23 0.00 0.00 176.35 177.81 1df7 s ALA 128 N -2.05 2.85 0.58 4.21 0.00 0.01 -4.59 121.76 122.77 1df7 s ALA 128 Ca 0.17 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 1df7 s ALA 128 Cb -0.06 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1df7 s ALA 128 CO 0.07 -0.40 1.10 -1.25 0.00 0.00 0.00 175.76 175.28 1df7 s PRO 129 N -3.41 3.24 -0.21 0.00 0.04 -1.26 -5.01 135.00 128.40 1df7 s PRO 129 Ca 0.66 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1df7 s PRO 129 Cb -0.16 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 1df7 s PRO 129 CO 0.23 -0.91 0.20 0.08 0.04 0.00 0.00 177.00 176.64 1df7 s VAL 130 N -2.07 5.35 -0.19 -0.36 1.01 -1.26 -5.06 120.40 117.82 1df7 s VAL 130 Ca 0.69 0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.73 1df7 s VAL 130 Cb -0.21 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1df7 s VAL 130 CO 0.32 0.38 0.76 -0.76 0.00 0.00 0.00 175.10 175.79 1df7 s LEU 131 N 0.75 4.15 0.00 3.92 1.43 -1.26 -5.07 118.68 122.59 1df7 s LEU 131 Ca 0.10 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1df7 s LEU 131 Cb -0.13 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1df7 s LEU 131 CO 0.02 -0.37 0.00 -0.90 0.23 0.00 0.00 176.35 175.33 1df7 n ASP 132 N 5.30 0.00 0.00 2.29 3.85 -1.26 -4.97 116.55 121.76 1df7 n ASP 132 Ca 0.03 -0.52 0.14 0.00 -0.71 0.00 0.00 54.79 53.72 1df7 n ASP 132 Cb 0.49 0.00 0.81 0.00 -1.35 0.00 0.00 41.12 41.06 1df7 n ASP 132 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1df7 n GLU 133 N -0.52 0.92 0.10 0.11 -0.58 -1.26 -2.46 120.64 116.96 1df7 n GLU 133 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1df7 n GLU 133 Cb 0.00 -1.46 0.46 0.00 -0.57 0.00 0.00 31.44 29.87 1df7 n GLU 133 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1df7 n THR 134 N -0.96 0.72 -3.69 2.62 -2.24 -1.26 -4.76 114.28 104.71 1df7 n THR 134 Ca 0.20 0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.68 1df7 n THR 134 Cb 0.09 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.33 1df7 n THR 134 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1df7 s TRP 135 N -3.20 3.57 -0.14 4.78 0.52 -1.03 -4.61 118.94 118.83 1df7 s TRP 135 Ca 0.07 0.63 -0.04 0.00 0.02 0.00 0.00 56.10 56.78 1df7 s TRP 135 Cb 0.11 -2.15 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1df7 s TRP 135 CO 0.45 0.54 -0.00 1.03 0.02 0.00 0.00 176.95 178.99 1df7 s ARG 136 N -0.50 3.56 0.18 4.98 0.52 -0.11 -4.94 118.95 122.65 1df7 s ARG 136 Ca 0.17 -0.44 0.08 0.00 -0.52 0.00 0.00 55.73 55.01 1df7 s ARG 136 Cb -0.13 -2.96 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 1df7 s ARG 136 CO 0.05 0.38 -0.16 0.20 0.02 0.00 0.00 175.30 175.80 1df7 s GLY 137 N 0.01 1.37 -0.10 -3.53 0.00 -1.26 -1.19 107.32 102.62 1df7 s GLY 137 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1df7 s GLY 137 CO 0.02 -1.63 -0.08 -0.54 0.00 0.00 0.00 173.10 170.87 1df7 s GLU 138 N -3.22 1.53 -0.19 2.90 2.02 -0.84 -5.00 118.70 115.91 1df7 s GLU 138 Ca 0.18 -0.27 -0.12 0.00 0.02 0.00 0.00 54.97 54.78 1df7 s GLU 138 Cb -0.03 -1.54 -0.05 0.00 0.10 0.00 0.00 34.13 32.62 1df7 s GLU 138 CO 0.06 -0.21 0.23 0.99 0.02 0.00 0.00 175.26 176.35 1df7 s THR 139 N 1.52 5.34 0.74 3.63 2.01 -1.26 -2.06 115.64 125.55 1df7 s THR 139 Ca 0.01 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 1df7 s THR 139 Cb -0.13 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 68.88 1df7 s THR 139 CO -0.06 0.39 1.06 -0.83 -0.69 0.00 0.00 174.62 174.49 1df7 s GLY 140 N 0.58 1.67 0.31 4.40 0.00 0.81 -5.02 107.32 110.05 1df7 s GLY 140 Ca 0.13 -0.87 -0.27 0.00 0.00 0.00 0.00 44.72 43.71 1df7 s GLY 140 CO 0.02 -0.43 0.96 -0.54 0.00 0.00 0.00 173.10 173.11 1df7 s GLU 141 N -5.34 4.62 0.49 2.90 0.41 -1.26 -4.64 118.70 115.87 1df7 s GLU 141 Ca 0.61 1.41 -0.24 0.00 -0.41 0.00 0.00 54.97 56.34 1df7 s GLU 141 Cb -0.11 -2.92 -0.07 0.00 -1.78 0.00 0.00 34.13 29.26 1df7 s GLU 141 CO 0.46 0.30 1.36 0.91 -0.49 0.00 0.00 175.26 177.80 1df7 n TRP 142 N 0.77 2.38 -4.15 1.61 7.02 -1.26 -4.63 117.44 119.17 1df7 n TRP 142 Ca 0.01 0.45 -0.12 0.00 -1.02 0.00 0.00 57.50 56.82 1df7 n TRP 142 Cb 0.49 -2.40 -0.10 0.00 -2.42 0.00 0.00 31.31 26.88 1df7 n TRP 142 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1df7 s ARG 143 N -2.59 0.79 -0.15 -0.99 0.52 0.14 -4.94 118.95 111.73 1df7 s ARG 143 Ca 0.66 -1.19 -0.05 0.00 -0.52 0.00 0.00 55.73 54.63 1df7 s ARG 143 Cb -0.45 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 1df7 s ARG 143 CO 0.54 0.02 0.03 -0.06 0.02 0.00 0.00 175.30 175.85 1df7 s PHE 144 N -2.91 3.21 0.42 -0.53 0.40 -1.26 -0.65 117.98 116.65 1df7 s PHE 144 Ca 0.06 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1df7 s PHE 144 Cb 0.00 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 1df7 s PHE 144 CO -0.02 0.25 0.63 -1.54 0.70 0.00 0.00 175.22 175.24 1df7 s SER 145 N -0.09 5.99 0.57 1.36 1.04 -0.45 -4.97 113.70 117.15 1df7 s SER 145 Ca 0.05 0.34 0.25 0.00 0.48 0.00 0.00 55.95 57.07 1df7 s SER 145 Cb -0.12 -1.69 1.60 0.00 0.10 0.00 0.00 66.02 65.91 1df7 s SER 145 CO 0.02 -0.57 2.17 0.03 0.98 0.00 0.00 173.24 175.87 1df7 h ARG 146 N 0.51 0.00 0.00 4.02 3.08 -1.98 0.15 114.38 120.16 1df7 h ARG 146 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1df7 h ARG 146 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1df7 h ARG 146 CO 0.58 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.35 1df7 n SER 147 N -4.06 0.00 0.00 7.04 3.41 -1.26 -4.86 113.62 113.89 1df7 n SER 147 Ca -0.01 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1df7 n SER 147 Cb 0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1df7 n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1df7 n GLY 148 N 0.31 1.04 3.74 5.00 0.00 0.04 -5.05 105.19 110.26 1df7 n GLY 148 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1df7 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1df7 s LEU 149 N 0.00 4.50 0.31 0.99 1.43 -1.26 -4.75 118.68 119.90 1df7 s LEU 149 Ca 0.00 1.68 -0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1df7 s LEU 149 Cb 0.00 -3.44 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 1df7 s LEU 149 CO 0.00 0.01 0.81 -0.13 0.23 0.00 0.00 176.35 177.26 1df7 s ARG 150 N -0.22 4.23 0.10 1.70 0.52 -1.26 -1.34 118.95 122.67 1df7 s ARG 150 Ca 0.43 0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 56.40 1df7 s ARG 150 Cb -0.23 -2.60 0.03 0.00 0.52 0.00 0.00 34.95 32.68 1df7 s ARG 150 CO 0.27 0.22 0.39 1.52 0.02 0.00 0.00 175.30 177.73 1df7 s TYR 151 N -1.80 -0.20 0.04 -0.53 -0.85 0.17 -0.76 117.35 113.41 1df7 s TYR 151 Ca 0.51 -0.03 -0.11 0.00 -0.52 0.00 0.00 57.07 56.92 1df7 s TYR 151 Cb -0.14 0.23 0.01 0.00 0.38 0.00 0.00 41.96 42.44 1df7 s TYR 151 CO 0.19 -0.65 0.22 -0.98 -1.52 0.00 0.00 175.55 172.81 1df7 s ARG 152 N -3.40 0.73 -0.02 -3.49 1.70 -0.63 0.24 118.95 114.08 1df7 s ARG 152 Ca 0.00 -0.61 -0.02 0.00 -0.47 0.00 0.00 55.73 54.63 1df7 s ARG 152 Cb 0.01 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1df7 s ARG 152 CO -0.09 -0.22 0.12 -0.51 -1.08 0.00 0.00 175.30 173.52 1df7 s LEU 153 N -2.11 4.11 -0.01 -1.89 1.43 -1.26 -0.17 118.68 118.77 1df7 s LEU 153 Ca -0.05 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 1df7 s LEU 153 Cb -0.01 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1df7 s LEU 153 CO -0.04 0.29 -0.17 -0.31 0.23 0.00 0.00 176.35 176.35 1df7 s TYR 154 N -1.20 1.54 -0.17 0.29 1.51 0.14 -0.14 117.35 119.32 1df7 s TYR 154 Ca 0.23 -0.29 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1df7 s TYR 154 Cb -0.12 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.77 1df7 s TYR 154 CO 0.14 -0.02 -0.13 -1.12 -1.11 0.00 0.00 175.55 173.30 1df7 s SER 155 N -0.42 3.00 0.13 2.29 0.01 -0.87 -1.00 113.70 116.84 1df7 s SER 155 Ca 0.07 -0.66 0.08 0.00 1.31 0.00 0.00 55.95 56.75 1df7 s SER 155 Cb -0.07 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 1df7 s SER 155 CO -0.01 -0.09 -0.13 -0.31 0.41 0.00 0.00 173.24 173.11 1df7 s TYR 156 N 1.44 2.62 0.12 2.43 1.51 0.59 -1.98 117.35 124.08 1df7 s TYR 156 Ca 0.02 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.76 1df7 s TYR 156 Cb -0.14 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 1df7 s TYR 156 CO -0.10 0.44 0.27 -3.38 -1.11 0.00 0.00 175.55 171.67 1df7 s HIS 157 N -1.33 0.12 -0.23 2.71 -3.43 -0.33 -1.49 115.29 111.30 1df7 s HIS 157 Ca 0.21 -0.51 -0.24 0.00 -0.80 0.00 0.00 55.06 53.72 1df7 s HIS 157 Cb -0.10 0.03 0.07 0.00 -1.43 0.00 0.00 32.58 31.14 1df7 s HIS 157 CO 0.13 -0.64 0.67 -0.98 -2.00 0.00 0.00 174.74 171.92 1df7 s ARG 158 N -3.87 0.81 0.00 -0.38 1.70 -0.49 -0.93 118.95 115.78 1df7 s ARG 158 Ca 0.08 0.87 0.27 0.00 -0.47 0.00 0.00 55.73 56.47 1df7 s ARG 158 Cb 0.04 0.39 0.90 0.00 -0.57 0.00 0.00 34.95 35.71 1df7 s ARG 158 CO -0.08 -0.12 1.66 0.43 -1.08 0.00 0.00 175.30 176.11