#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs7 s ARG 2 N 0.00 2.11 0.22 0.03 1.81 -1.10 -4.88 118.95 117.14 1vs7 s ARG 2 Ca 0.00 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.87 1vs7 s ARG 2 Cb 0.00 -1.93 -0.09 0.00 -0.45 0.00 0.00 34.95 32.48 1vs7 s ARG 2 CO 0.00 0.44 1.29 -1.58 -0.68 0.00 0.00 175.30 174.77 1vs7 s HIS 3 N -0.37 3.26 0.08 -0.53 2.46 -1.26 -3.23 115.29 115.71 1vs7 s HIS 3 Ca 0.04 1.28 0.02 0.00 0.47 0.00 0.00 55.06 56.87 1vs7 s HIS 3 Cb -0.11 -3.58 -0.01 0.00 -0.13 0.00 0.00 32.58 28.75 1vs7 s HIS 3 CO 0.01 -1.75 0.07 0.66 -2.47 0.00 0.00 174.74 171.26 1vs7 n TYR 4 N 2.35 -0.22 -2.82 3.88 4.01 -1.10 0.96 117.16 124.23 1vs7 n TYR 4 Ca 0.05 -0.68 -0.05 0.00 -0.16 0.00 0.00 57.90 57.06 1vs7 n TYR 4 Cb 0.43 0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1vs7 n TYR 4 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1vs7 s GLU 5 N -2.32 1.06 -0.02 -0.72 2.12 -1.18 -4.26 118.70 113.37 1vs7 s GLU 5 Ca 0.10 -1.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.03 1vs7 s GLU 5 Cb 0.00 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.24 1vs7 s GLU 5 CO 0.07 -1.33 0.98 -1.50 -0.54 0.00 0.00 175.26 172.94 1vs7 s ILE 6 N 0.87 4.86 0.00 -3.70 1.10 -1.26 -2.87 121.20 120.19 1vs7 s ILE 6 Ca 0.30 2.04 0.02 0.00 -0.51 0.00 0.00 60.65 62.50 1vs7 s ILE 6 Cb -0.00 -4.31 -0.01 0.00 0.15 0.00 0.00 42.46 38.29 1vs7 s ILE 6 CO -0.06 0.13 -0.06 0.54 -2.11 0.00 0.00 174.94 173.38 1vs7 s VAL 7 N 1.22 0.49 -0.22 4.00 0.11 -0.45 -2.11 120.40 123.44 1vs7 s VAL 7 Ca 0.51 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 59.12 1vs7 s VAL 7 Cb -0.20 -0.43 0.09 0.00 -1.53 0.00 0.00 36.38 34.30 1vs7 s VAL 7 CO 0.26 0.08 0.50 0.72 -3.33 0.00 0.00 175.10 173.33 1vs7 s PHE 8 N -0.27 -0.87 -0.34 1.54 -0.12 -1.03 -1.42 117.98 115.47 1vs7 s PHE 8 Ca 0.01 1.68 -0.15 0.00 -0.05 0.00 0.00 56.93 58.43 1vs7 s PHE 8 Cb -0.03 0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 42.77 1vs7 s PHE 8 CO -0.00 -0.48 0.34 0.00 -0.05 0.00 0.00 175.22 175.03 1vs7 s MET 9 N 2.13 3.55 0.54 1.99 0.23 -1.18 -2.57 119.30 124.00 1vs7 s MET 9 Ca -0.06 -0.46 -0.07 0.00 -1.03 0.00 0.00 55.69 54.08 1vs7 s MET 9 Cb -0.10 -3.80 -0.02 0.00 -1.53 0.00 0.00 34.83 29.37 1vs7 s MET 9 CO -0.15 -0.51 0.87 0.08 -2.03 0.00 0.00 175.02 173.28 1vs7 s VAL 10 N 1.97 4.53 0.36 5.16 1.01 0.04 -2.99 120.40 130.47 1vs7 s VAL 10 Ca 0.11 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 1vs7 s VAL 10 Cb -0.17 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1vs7 s VAL 10 CO 0.11 -0.80 1.43 1.57 0.00 0.00 0.00 175.10 177.41 1vs7 n HIS 11 N -2.45 2.76 0.15 5.22 -0.00 -1.26 -1.13 115.22 118.52 1vs7 n HIS 11 Ca 0.03 0.47 -0.14 0.00 0.46 0.00 0.00 57.72 58.53 1vs7 n HIS 11 Cb 0.56 -2.50 -0.06 0.00 -0.12 0.00 0.00 29.99 27.86 1vs7 n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1vs7 h PRO 12 N 2.97 -0.53 0.00 1.57 0.13 -1.89 -1.18 132.00 133.07 1vs7 h PRO 12 Ca -0.49 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1vs7 h PRO 12 Cb 1.25 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1vs7 h PRO 12 CO 0.65 -0.36 0.06 0.22 -0.23 0.00 0.00 178.00 178.34 1vs7 h ASP 13 N -0.56 0.00 -0.57 1.44 3.58 -1.91 -0.55 116.42 117.85 1vs7 h ASP 13 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1vs7 h ASP 13 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1vs7 h ASP 13 CO -0.11 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.25 1vs7 n GLN 14 N -2.98 4.29 0.26 0.28 1.13 -0.48 -4.48 117.38 115.40 1vs7 n GLN 14 Ca -0.03 -3.03 0.17 0.00 -1.94 0.00 0.00 57.00 52.17 1vs7 n GLN 14 Cb 0.12 -2.08 0.91 0.00 0.11 0.00 0.00 30.24 29.29 1vs7 n GLN 14 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1vs7 h SER 15 N 3.79 0.00 0.81 1.08 4.64 -0.73 -0.22 113.55 122.93 1vs7 h SER 15 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vs7 h SER 15 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1vs7 h SER 15 CO 0.37 0.00 0.00 -0.08 -0.87 0.00 0.00 176.83 176.25 1vs7 h GLU 16 N 0.00 0.00 0.00 4.77 4.22 -1.83 -2.57 114.58 119.17 1vs7 h GLU 16 Ca 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.29 1vs7 h GLU 16 Cb 0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1vs7 h GLU 16 CO 0.00 0.00 -1.18 1.96 -2.18 0.00 0.00 179.01 177.61 1vs7 h GLN 17 N 0.00 0.00 -0.95 1.92 4.20 -1.40 -3.39 115.11 115.49 1vs7 h GLN 17 Ca 0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1vs7 h GLN 17 Cb 0.40 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.03 1vs7 h GLN 17 CO 0.00 0.34 -0.36 0.28 -0.67 0.00 0.00 178.83 178.42 1vs7 n VAL 18 N -2.97 -0.49 0.48 -0.54 0.31 -0.97 -0.89 118.33 113.26 1vs7 n VAL 18 Ca -0.06 2.22 -0.19 0.00 -0.01 0.00 0.00 64.34 66.30 1vs7 n VAL 18 Cb 0.81 -2.95 -0.09 0.00 -0.91 0.00 0.00 33.84 30.70 1vs7 n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1vs7 h PRO 19 N 0.00 -1.17 -0.76 5.55 0.13 -1.77 -2.21 132.00 131.77 1vs7 h PRO 19 Ca 0.34 0.08 0.17 0.00 -0.87 0.00 0.00 66.00 65.72 1vs7 h PRO 19 Cb 0.58 0.27 -0.11 0.00 0.13 0.00 0.00 31.00 31.86 1vs7 h PRO 19 CO -0.95 -0.78 0.19 0.78 -0.23 0.00 0.00 178.00 177.01 1vs7 h GLY 20 N -1.23 1.08 0.54 1.56 0.00 -1.66 -1.75 103.07 101.60 1vs7 h GLY 20 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1vs7 h GLY 20 CO 0.20 -0.22 -0.34 -0.33 0.00 0.00 0.00 176.54 175.86 1vs7 h MET 21 N 0.27 -0.61 -0.98 4.80 2.86 -0.95 -1.73 114.93 118.58 1vs7 h MET 21 Ca 0.44 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 58.32 1vs7 h MET 21 Cb 0.76 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 32.47 1vs7 h MET 21 CO -0.53 -0.41 0.62 0.82 1.06 0.00 0.00 176.91 178.47 1vs7 h ILE 22 N -0.64 0.69 -0.19 -1.22 2.04 -0.69 0.14 117.51 117.63 1vs7 h ILE 22 Ca 0.00 -0.22 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 1vs7 h ILE 22 Cb 0.61 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1vs7 h ILE 22 CO -0.12 0.12 -0.39 -0.33 0.00 0.00 0.00 178.15 177.42 1vs7 h GLU 23 N 0.64 0.43 0.10 2.37 5.08 -0.82 -2.46 114.58 119.92 1vs7 h GLU 23 Ca 0.55 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1vs7 h GLU 23 Cb 1.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1vs7 h GLU 23 CO -0.32 0.75 -0.05 0.00 -1.00 0.00 0.00 179.01 178.39 1vs7 h ARG 24 N 0.36 -0.13 -1.00 2.33 3.08 -0.04 -2.83 114.38 116.14 1vs7 h ARG 24 Ca 0.03 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.31 1vs7 h ARG 24 Cb 0.85 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.82 1vs7 h ARG 24 CO 0.07 0.27 0.62 1.88 -1.07 0.00 0.00 179.97 181.74 1vs7 h TYR 25 N -0.96 0.92 0.32 3.04 0.99 -0.93 0.05 116.97 120.41 1vs7 h TYR 25 Ca -0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1vs7 h TYR 25 Cb 0.47 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 37.93 1vs7 h TYR 25 CO 0.10 0.16 -0.15 1.79 -0.00 0.00 0.00 178.16 180.05 1vs7 h THR 26 N 0.62 0.65 -0.88 -2.88 1.35 -1.53 -2.75 112.91 107.49 1vs7 h THR 26 Ca 0.58 -0.63 0.12 0.00 -0.55 0.00 0.00 66.41 65.93 1vs7 h THR 26 Cb 1.11 0.95 -0.07 0.00 -1.73 0.00 0.00 68.15 68.41 1vs7 h THR 26 CO -0.36 0.11 0.57 0.00 -0.25 0.00 0.00 175.52 175.59 1vs7 h ALA 27 N -0.30 1.74 -0.35 6.62 0.00 -1.10 0.11 119.26 125.98 1vs7 h ALA 27 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1vs7 h ALA 27 Cb 0.52 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1vs7 h ALA 27 CO 0.07 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.45 1vs7 h ALA 28 N 1.58 1.48 0.01 0.00 0.00 -0.98 0.21 119.26 121.57 1vs7 h ALA 28 Ca 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1vs7 h ALA 28 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vs7 h ALA 28 CO -0.19 0.39 -0.01 0.82 0.00 0.00 0.00 179.25 180.26 1vs7 h ILE 29 N 0.51 0.00 -0.99 0.00 2.04 -0.58 -3.32 117.51 115.17 1vs7 h ILE 29 Ca 0.12 -0.73 0.15 0.00 1.00 0.00 0.00 64.86 65.40 1vs7 h ILE 29 Cb 0.21 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.20 1vs7 h ILE 29 CO -0.00 0.00 0.62 0.74 0.00 0.00 0.00 178.15 179.51 1vs7 h THR 30 N -0.75 0.83 -0.95 -0.27 2.02 -0.94 0.64 112.91 113.50 1vs7 h THR 30 Ca -0.00 -0.30 0.19 0.00 0.77 0.00 0.00 66.41 67.07 1vs7 h THR 30 Cb 0.01 -0.11 -0.11 0.00 -1.74 0.00 0.00 68.15 66.21 1vs7 h THR 30 CO 0.00 0.16 0.53 1.23 0.37 0.00 0.00 175.52 177.82 1vs7 h GLY 31 N 0.87 1.66 -3.81 2.16 0.00 -0.72 0.19 103.07 103.42 1vs7 h GLY 31 Ca 0.52 -0.30 -0.55 0.00 0.00 0.00 0.00 47.33 47.00 1vs7 h GLY 31 CO -0.29 -0.10 0.71 0.00 0.00 0.00 0.00 176.54 176.85 1vs7 n ALA 32 N -2.37 5.85 -1.27 3.60 0.00 -0.37 -4.81 120.51 121.14 1vs7 n ALA 32 Ca 0.22 -2.83 -0.09 0.00 0.00 0.00 0.00 53.44 50.74 1vs7 n ALA 32 Cb 0.56 -1.61 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1vs7 n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vs7 n GLU 33 N -0.55 -1.29 -1.69 0.00 -0.58 0.66 -4.89 120.64 112.30 1vs7 n GLU 33 Ca 0.52 0.77 -0.32 0.00 -0.42 0.00 0.00 57.16 57.71 1vs7 n GLU 33 Cb 0.73 -4.94 0.05 0.00 -0.57 0.00 0.00 31.44 26.71 1vs7 n GLU 33 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1vs7 s GLY 34 N -2.47 1.91 0.20 0.62 0.00 0.21 -4.89 107.32 102.89 1vs7 s GLY 34 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 44.72 45.10 1vs7 s GLY 34 CO 0.00 0.64 -0.13 0.54 0.00 0.00 0.00 173.10 174.14 1vs7 s LYS 35 N -4.52 1.30 -0.11 2.90 1.02 -1.23 -3.45 119.74 115.65 1vs7 s LYS 35 Ca 0.62 -1.58 0.01 0.00 0.02 0.00 0.00 55.97 55.04 1vs7 s LYS 35 Cb -0.17 -1.04 0.02 0.00 -0.52 0.00 0.00 37.83 36.12 1vs7 s LYS 35 CO 0.47 0.16 -0.12 0.42 -0.92 0.00 0.00 175.35 175.36 1vs7 s ILE 36 N -3.03 1.26 -0.07 2.17 1.01 -1.26 -1.98 121.20 119.29 1vs7 s ILE 36 Ca 0.22 -0.48 0.21 0.00 0.00 0.00 0.00 60.65 60.60 1vs7 s ILE 36 Cb -0.00 -1.20 -0.32 0.00 0.01 0.00 0.00 42.46 40.96 1vs7 s ILE 36 CO 0.06 0.40 0.39 1.41 0.00 0.00 0.00 174.94 177.19 1vs7 n HIS 37 N 4.48 0.00 -3.27 3.97 8.25 -1.26 -4.99 115.22 122.40 1vs7 n HIS 37 Ca -0.17 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.32 1vs7 n HIS 37 Cb 0.51 -0.61 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 1vs7 n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1vs7 s ARG 38 N -3.28 0.05 -0.15 -0.41 3.52 -1.24 -4.92 118.95 112.52 1vs7 s ARG 38 Ca -0.08 0.12 -0.02 0.00 -0.13 0.00 0.00 55.73 55.61 1vs7 s ARG 38 Cb 0.12 0.06 0.05 0.00 -1.56 0.00 0.00 34.95 33.62 1vs7 s ARG 38 CO 0.89 -0.02 0.02 -0.48 -0.81 0.00 0.00 175.30 174.91 1vs7 s LEU 39 N 1.91 0.93 0.00 -0.88 -0.00 -1.26 -2.96 118.68 116.42 1vs7 s LEU 39 Ca -0.01 -0.52 0.00 0.00 -0.00 0.00 0.00 54.13 53.60 1vs7 s LEU 39 Cb -0.01 -0.53 0.00 0.00 -0.00 0.00 0.00 46.19 45.65 1vs7 s LEU 39 CO -0.15 -0.26 0.00 -0.62 -0.00 0.00 0.00 176.35 175.32 1vs7 n GLU 40 N 5.09 2.39 -2.71 1.48 1.02 -1.24 -4.86 120.64 121.80 1vs7 n GLU 40 Ca -0.08 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.99 1vs7 n GLU 40 Cb 0.48 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.97 1vs7 n GLU 40 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1vs7 n ASP 41 N 0.00 -2.14 0.08 1.62 2.03 -1.26 -3.56 116.55 113.32 1vs7 n ASP 41 Ca 0.00 -2.67 0.20 0.00 0.52 0.00 0.00 54.79 52.84 1vs7 n ASP 41 Cb 0.00 1.38 0.67 0.00 -0.72 0.00 0.00 41.12 42.45 1vs7 n ASP 41 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1vs7 h TRP 42 N 3.47 0.00 0.00 -0.67 4.06 -1.94 -3.46 115.95 117.40 1vs7 h TRP 42 Ca -0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1vs7 h TRP 42 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1vs7 h TRP 42 CO -0.02 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.27 1vs7 n GLY 43 N -1.49 1.65 3.68 1.49 0.00 -1.12 -4.64 105.19 104.76 1vs7 n GLY 43 Ca 0.09 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1vs7 n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vs7 n ARG 44 N 4.82 2.69 -3.67 1.61 1.85 -1.26 -2.72 116.66 119.98 1vs7 n ARG 44 Ca 0.00 0.98 -0.14 0.00 -1.00 0.00 0.00 57.85 57.69 1vs7 n ARG 44 Cb 0.00 -2.87 -0.08 0.00 -1.05 0.00 0.00 32.46 28.46 1vs7 n ARG 44 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1vs7 s ARG 45 N 2.99 0.72 0.32 2.89 3.52 -0.57 -5.01 118.95 123.81 1vs7 s ARG 45 Ca 0.84 0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 56.54 1vs7 s ARG 45 Cb -0.51 0.34 -0.10 0.00 -1.56 0.00 0.00 34.95 33.12 1vs7 s ARG 45 CO 0.40 -0.16 0.96 1.14 -0.81 0.00 0.00 175.30 176.82 1vs7 s GLN 46 N -0.48 4.60 0.38 5.12 -2.07 -1.26 -1.04 119.66 124.90 1vs7 s GLN 46 Ca -0.06 1.38 -0.11 0.00 -1.82 0.00 0.00 55.36 54.75 1vs7 s GLN 46 Cb -0.03 -2.86 -0.07 0.00 -1.09 0.00 0.00 33.01 28.96 1vs7 s GLN 46 CO 0.04 0.28 0.75 -0.51 -1.32 0.00 0.00 175.29 174.53 1vs7 s LEU 47 N -1.95 3.88 0.56 2.60 1.43 -0.00 -4.86 118.68 120.35 1vs7 s LEU 47 Ca 0.49 1.13 0.35 0.00 -1.03 0.00 0.00 54.13 55.08 1vs7 s LEU 47 Cb -0.20 -4.00 1.55 0.00 0.03 0.00 0.00 46.19 43.57 1vs7 s LEU 47 CO 0.26 -0.35 2.04 0.00 0.23 0.00 0.00 176.35 178.53 1vs7 h ALA 48 N 1.46 1.00 -2.38 4.21 0.00 -1.97 -3.44 119.26 118.15 1vs7 h ALA 48 Ca -0.47 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1vs7 h ALA 48 Cb 1.18 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 1vs7 h ALA 48 CO 0.64 0.00 0.19 1.52 0.00 0.00 0.00 179.25 181.61 1vs7 s TYR 49 N -3.74 -0.61 -1.02 0.00 1.13 -1.26 -5.09 117.35 106.76 1vs7 s TYR 49 Ca 0.00 0.82 -0.24 0.00 -1.41 0.00 0.00 57.07 56.25 1vs7 s TYR 49 Cb 0.10 0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 41.37 1vs7 s TYR 49 CO 0.51 -0.70 1.91 -1.25 -2.51 0.00 0.00 175.55 173.51 1vs7 s PRO 50 N -2.15 2.63 -0.28 -3.49 0.04 -1.26 -4.75 135.00 125.74 1vs7 s PRO 50 Ca -0.06 -0.69 -0.21 0.00 0.04 0.00 0.00 61.00 60.07 1vs7 s PRO 50 Cb -0.00 -5.15 -0.01 0.00 0.04 0.00 0.00 34.50 29.37 1vs7 s PRO 50 CO 0.01 -3.50 0.68 -1.50 0.04 0.00 0.00 177.00 172.74 1vs7 s ILE 51 N 9.98 4.92 -1.05 0.56 2.07 -1.20 -3.91 121.20 132.58 1vs7 s ILE 51 Ca 0.68 1.11 -0.03 0.00 -1.41 0.00 0.00 60.65 61.01 1vs7 s ILE 51 Cb -0.04 -4.01 0.00 0.00 0.13 0.00 0.00 42.46 38.54 1vs7 s ILE 51 CO 0.04 -0.08 0.89 -3.20 -1.91 0.00 0.00 174.94 170.67 1vs7 n ASN 52 N 5.89 -3.32 -0.86 4.50 5.15 -1.26 -4.71 115.26 120.65 1vs7 n ASN 52 Ca 0.01 -0.49 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1vs7 n ASN 52 Cb 0.49 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.41 1vs7 n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1vs7 n LYS 53 N -3.84 -2.44 -0.96 1.20 0.00 -1.25 -5.04 118.16 105.83 1vs7 n LYS 53 Ca -0.15 1.80 0.12 0.00 0.00 0.00 0.00 58.31 60.07 1vs7 n LYS 53 Cb 0.61 -2.00 -0.06 0.00 0.00 0.00 0.00 35.03 33.57 1vs7 n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1vs7 n LEU 54 N -0.59 -0.68 -2.86 3.14 -0.00 -1.26 -4.85 117.00 109.89 1vs7 n LEU 54 Ca 0.00 1.59 -0.20 0.00 -0.00 0.00 0.00 56.01 57.40 1vs7 n LEU 54 Cb 0.00 -2.13 -0.01 0.00 -0.00 0.00 0.00 43.42 41.28 1vs7 n LEU 54 CO 0.00 -1.47 -0.03 0.00 -0.00 0.00 0.00 177.39 175.89 1vs7 n HIS 55 N -3.57 2.03 -3.40 1.96 -0.00 -1.26 -3.21 115.22 107.77 1vs7 n HIS 55 Ca -0.06 -3.49 -0.18 0.00 -0.00 0.00 0.00 57.72 53.99 1vs7 n HIS 55 Cb 0.45 -0.36 -0.10 0.00 -0.00 0.00 0.00 29.99 29.99 1vs7 n HIS 55 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1vs7 s LYS 56 N -3.08 0.37 0.47 -1.40 1.02 -1.26 -0.82 119.74 115.04 1vs7 s LYS 56 Ca 0.41 -0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.17 1vs7 s LYS 56 Cb 0.37 -0.71 0.03 0.00 -0.52 0.00 0.00 37.83 37.00 1vs7 s LYS 56 CO -0.09 -1.06 0.63 0.00 -0.92 0.00 0.00 175.35 173.91 1vs7 s ALA 57 N 2.17 4.57 -0.49 5.17 0.00 -0.21 -3.41 121.76 129.56 1vs7 s ALA 57 Ca 0.11 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.28 1vs7 s ALA 57 Cb -0.14 -1.54 0.14 0.00 0.00 0.00 0.00 23.12 21.58 1vs7 s ALA 57 CO -0.28 -0.45 0.29 -1.58 0.00 0.00 0.00 175.76 173.74 1vs7 s HIS 58 N -2.46 2.36 0.79 0.00 2.46 -0.28 -1.51 115.29 116.66 1vs7 s HIS 58 Ca 0.57 -2.69 -0.12 0.00 0.47 0.00 0.00 55.06 53.29 1vs7 s HIS 58 Cb -0.08 -2.09 0.07 0.00 -0.13 0.00 0.00 32.58 30.35 1vs7 s HIS 58 CO 0.34 -0.74 1.12 0.71 -2.47 0.00 0.00 174.74 173.71 1vs7 s TYR 59 N -0.09 2.27 -0.22 3.88 1.51 -1.10 -0.78 117.35 122.82 1vs7 s TYR 59 Ca 0.20 1.62 -0.19 0.00 -1.01 0.00 0.00 57.07 57.70 1vs7 s TYR 59 Cb -0.19 -3.19 0.06 0.00 -0.11 0.00 0.00 41.96 38.54 1vs7 s TYR 59 CO -0.05 -2.14 0.59 0.08 -1.11 0.00 0.00 175.55 172.93 1vs7 s VAL 60 N -2.65 -0.00 0.38 0.71 1.01 -1.06 -2.81 120.40 115.97 1vs7 s VAL 60 Ca 0.65 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.71 1vs7 s VAL 60 Cb -0.20 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1vs7 s VAL 60 CO 0.53 0.00 0.38 -0.76 0.00 0.00 0.00 175.10 175.26 1vs7 s LEU 61 N 0.59 3.54 0.00 3.92 2.01 -1.23 -2.45 118.68 125.06 1vs7 s LEU 61 Ca -0.02 -0.57 0.00 0.00 0.01 0.00 0.00 54.13 53.54 1vs7 s LEU 61 Cb -0.05 -2.25 0.00 0.00 0.01 0.00 0.00 46.19 43.91 1vs7 s LEU 61 CO -0.03 -0.55 0.00 0.80 1.01 0.00 0.00 176.35 177.58 1vs7 n MET 62 N -1.54 0.00 -0.77 1.70 1.56 -0.90 -3.66 117.12 113.52 1vs7 n MET 62 Ca 0.02 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.41 1vs7 n MET 62 Cb 0.60 -0.05 -0.02 0.00 2.15 0.00 0.00 33.22 35.90 1vs7 n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1vs7 n ASN 63 N -2.30 -2.50 -4.58 6.12 4.13 -1.16 -3.65 115.26 111.32 1vs7 n ASN 63 Ca 0.00 0.09 -0.37 0.00 1.68 0.00 0.00 54.58 55.98 1vs7 n ASN 63 Cb 0.00 -2.04 0.07 0.00 -1.54 0.00 0.00 39.78 36.27 1vs7 n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1vs7 n VAL 64 N -1.16 3.02 -3.73 2.41 0.31 -1.26 -4.29 118.33 113.63 1vs7 n VAL 64 Ca -0.04 -0.44 -0.30 0.00 -0.01 0.00 0.00 64.34 63.56 1vs7 n VAL 64 Cb 0.25 -1.03 -0.13 0.00 -0.91 0.00 0.00 33.84 32.02 1vs7 n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1vs7 s GLU 65 N -2.94 1.34 0.29 5.55 2.12 -0.84 -2.70 118.70 121.52 1vs7 s GLU 65 Ca 0.73 -2.05 0.04 0.00 0.36 0.00 0.00 54.97 54.05 1vs7 s GLU 65 Cb -0.38 -2.41 -0.06 0.00 0.26 0.00 0.00 34.13 31.54 1vs7 s GLU 65 CO 0.50 -1.16 0.03 0.00 -0.54 0.00 0.00 175.26 174.09 1vs7 s ALA 66 N 0.30 2.19 0.09 6.30 0.00 -1.20 -3.52 121.76 125.92 1vs7 s ALA 66 Ca 0.18 -1.95 -0.31 0.00 0.00 0.00 0.00 51.96 49.87 1vs7 s ALA 66 Cb -0.24 0.57 -0.08 0.00 0.00 0.00 0.00 23.12 23.36 1vs7 s ALA 66 CO 0.00 -0.27 1.55 -1.25 0.00 0.00 0.00 175.76 175.80 1vs7 s PRO 67 N -3.87 4.23 0.26 0.00 0.04 -1.26 -2.70 135.00 131.71 1vs7 s PRO 67 Ca 0.34 2.24 0.16 0.00 0.04 0.00 0.00 61.00 63.78 1vs7 s PRO 67 Cb 0.07 -3.43 0.93 0.00 0.04 0.00 0.00 34.50 32.11 1vs7 s PRO 67 CO 0.13 -0.63 1.05 0.00 0.04 0.00 0.00 177.00 177.59 1vs7 n GLN 68 N 4.89 -0.04 -0.26 4.56 10.64 -1.26 -0.95 117.38 134.97 1vs7 n GLN 68 Ca 0.14 0.90 0.01 0.00 -1.83 0.00 0.00 57.00 56.22 1vs7 n GLN 68 Cb 0.41 -1.66 0.08 0.00 -0.86 0.00 0.00 30.24 28.21 1vs7 n GLN 68 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1vs7 h GLU 69 N 0.00 -0.02 0.23 2.61 5.08 -2.01 -1.23 114.58 119.24 1vs7 h GLU 69 Ca 0.57 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.61 1vs7 h GLU 69 Cb 1.62 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.91 1vs7 h GLU 69 CO -0.45 -0.01 -1.42 -0.39 -1.00 0.00 0.00 179.01 175.73 1vs7 h VAL 70 N -0.02 1.29 0.00 3.13 -1.51 -1.42 -3.30 116.25 114.43 1vs7 h VAL 70 Ca 0.35 -2.65 -0.00 0.00 -1.23 0.00 0.00 66.70 63.17 1vs7 h VAL 70 Cb 0.55 2.98 -0.00 0.00 -2.13 0.00 0.00 31.29 32.70 1vs7 h VAL 70 CO -0.77 0.80 -0.01 -0.29 -1.23 0.00 0.00 177.57 176.06 1vs7 h ILE 71 N 0.16 0.51 -0.18 7.19 6.09 -1.45 -2.07 117.51 127.76 1vs7 h ILE 71 Ca -0.24 -0.04 -0.10 0.00 -1.37 0.00 0.00 64.86 63.11 1vs7 h ILE 71 Cb 2.11 1.03 -0.00 0.00 0.47 0.00 0.00 36.82 40.43 1vs7 h ILE 71 CO 0.27 0.01 -0.26 -0.78 -3.07 0.00 0.00 178.15 174.32 1vs7 h ASP 72 N 0.00 0.54 -0.83 2.19 3.58 -1.31 0.25 116.42 120.84 1vs7 h ASP 72 Ca -0.00 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1vs7 h ASP 72 Cb 0.03 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 1vs7 h ASP 72 CO 0.00 0.95 0.54 -0.33 -2.88 0.00 0.00 179.24 177.52 1vs7 h GLU 73 N 0.14 1.10 -0.02 0.28 5.08 -1.49 -0.34 114.58 119.32 1vs7 h GLU 73 Ca 0.02 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1vs7 h GLU 73 Cb 0.84 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1vs7 h GLU 73 CO 0.06 0.74 -0.57 1.25 -1.00 0.00 0.00 179.01 179.50 1vs7 h LEU 74 N 1.13 0.08 -2.31 1.33 7.12 -1.42 -1.31 115.31 119.93 1vs7 h LEU 74 Ca 0.30 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.27 1vs7 h LEU 74 Cb -0.11 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.00 1vs7 h LEU 74 CO -0.06 0.63 -0.00 -0.08 -0.13 0.00 0.00 178.44 178.80 1vs7 h GLU 75 N 0.05 0.00 0.00 1.25 4.57 0.12 -2.66 114.58 117.92 1vs7 h GLU 75 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1vs7 h GLU 75 Cb 1.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1vs7 h GLU 75 CO 0.08 0.00 -0.89 0.25 -1.18 0.00 0.00 179.01 177.27 1vs7 n THR 76 N -3.09 0.00 0.18 0.32 -2.24 -0.63 -4.47 114.28 104.35 1vs7 n THR 76 Ca -0.01 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1vs7 n THR 76 Cb 0.18 0.76 0.33 0.00 -2.10 0.00 0.00 70.33 69.49 1vs7 n THR 76 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1vs7 h THR 77 N 0.00 1.25 -0.62 4.28 1.35 -0.88 -2.78 112.91 115.51 1vs7 h THR 77 Ca 0.00 -1.47 -0.04 0.00 -0.55 0.00 0.00 66.41 64.35 1vs7 h THR 77 Cb 0.38 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.58 1vs7 h THR 77 CO 0.00 0.41 0.23 -0.26 -0.25 0.00 0.00 175.52 175.65 1vs7 h PHE 78 N 0.00 0.97 0.00 4.73 0.05 -1.78 -1.83 116.94 119.08 1vs7 h PHE 78 Ca -0.00 -0.08 0.00 0.00 3.82 0.00 0.00 57.97 61.70 1vs7 h PHE 78 Cb 0.77 -0.29 0.00 0.00 2.00 0.00 0.00 35.95 38.43 1vs7 h PHE 78 CO 0.00 0.78 0.00 0.54 -0.18 0.00 0.00 178.31 179.45 1vs7 n ARG 79 N -4.42 0.23 -0.77 1.51 5.12 -1.06 -2.55 116.66 114.72 1vs7 n ARG 79 Ca 0.04 0.09 -0.03 0.00 -1.93 0.00 0.00 57.85 56.03 1vs7 n ARG 79 Cb 0.19 -1.50 0.20 0.00 -1.16 0.00 0.00 32.46 30.19 1vs7 n ARG 79 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1vs7 n PHE 80 N -1.34 0.94 -3.33 -1.55 3.72 -0.70 -4.87 117.46 110.32 1vs7 n PHE 80 Ca 0.09 -1.56 -0.11 0.00 -0.05 0.00 0.00 57.45 55.81 1vs7 n PHE 80 Cb 0.19 -0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 38.21 1vs7 n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1vs7 s ASN 81 N -2.61 0.76 0.39 4.37 2.47 -1.06 -5.02 114.94 114.25 1vs7 s ASN 81 Ca 0.44 -0.47 0.23 0.00 0.42 0.00 0.00 52.86 53.47 1vs7 s ASN 81 Cb 0.40 0.93 1.28 0.00 -1.45 0.00 0.00 41.25 42.41 1vs7 s ASN 81 CO -0.01 -0.36 1.64 0.44 -3.72 0.00 0.00 177.10 175.09 1vs7 h ASP 82 N 8.19 0.36 -0.16 -4.21 3.45 -1.90 -3.22 116.42 118.94 1vs7 h ASP 82 Ca -0.10 0.17 -0.56 0.00 0.43 0.00 0.00 57.03 56.97 1vs7 h ASP 82 Cb 1.11 0.14 0.02 0.00 -0.56 0.00 0.00 39.33 40.04 1vs7 h ASP 82 CO 0.28 -0.19 1.93 0.00 -1.57 0.00 0.00 179.24 179.69 1vs7 n ALA 83 N -2.40 2.87 0.00 3.45 0.00 -1.26 -4.74 120.51 118.43 1vs7 n ALA 83 Ca 0.35 -3.24 0.00 0.00 0.00 0.00 0.00 53.44 50.55 1vs7 n ALA 83 Cb 1.22 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 17.08 1vs7 n ALA 83 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1vs7 n VAL 84 N 6.55 0.00 0.00 0.00 3.14 -1.22 -4.57 118.33 122.24 1vs7 n VAL 84 Ca 0.48 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.86 1vs7 n VAL 84 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1vs7 n VAL 84 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1vs7 n ILE 85 N -0.13 0.00 -1.78 1.55 5.41 -1.16 -4.74 119.36 118.51 1vs7 n ILE 85 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 1vs7 n ILE 85 Cb 0.00 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 38.91 1vs7 n ILE 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1vs7 s ARG 86 N 4.02 4.12 0.02 0.38 1.81 -1.26 -4.89 118.95 123.15 1vs7 s ARG 86 Ca 0.00 2.58 0.01 0.00 -1.72 0.00 0.00 55.73 56.60 1vs7 s ARG 86 Cb 0.00 -3.03 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 1vs7 s ARG 86 CO 0.00 -0.63 -0.05 0.45 -0.68 0.00 0.00 175.30 174.38 1vs7 s SER 87 N 0.52 0.59 0.11 0.23 0.15 -1.26 -3.08 113.70 110.97 1vs7 s SER 87 Ca 0.64 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.88 1vs7 s SER 87 Cb -0.48 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 1vs7 s SER 87 CO 0.47 -0.15 0.03 -0.32 1.20 0.00 0.00 173.24 174.48 1vs7 s MET 88 N -1.10 0.86 -0.30 5.44 1.75 -0.51 -5.03 119.30 120.41 1vs7 s MET 88 Ca -0.08 -1.39 -0.05 0.00 -1.25 0.00 0.00 55.69 52.92 1vs7 s MET 88 Cb -0.07 0.21 0.19 0.00 2.84 0.00 0.00 34.83 38.00 1vs7 s MET 88 CO -0.00 -0.22 0.84 0.54 -0.65 0.00 0.00 175.02 175.53 1vs7 s VAL 89 N -4.00 -0.61 0.00 10.11 0.11 -1.26 -1.34 120.40 123.41 1vs7 s VAL 89 Ca 0.20 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1vs7 s VAL 89 Cb 0.08 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 1vs7 s VAL 89 CO -0.01 0.00 0.00 0.23 -3.33 0.00 0.00 175.10 171.99 1vs7 n MET 90 N 5.33 3.65 -3.51 1.54 2.81 -1.14 -4.87 117.12 120.94 1vs7 n MET 90 Ca 0.03 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.80 1vs7 n MET 90 Cb 0.55 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.02 1vs7 n MET 90 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1vs7 s ARG 91 N 2.78 1.18 0.00 0.03 1.04 -1.26 -3.13 118.95 119.59 1vs7 s ARG 91 Ca 0.00 -0.49 0.00 0.00 -1.04 0.00 0.00 55.73 54.20 1vs7 s ARG 91 Cb 0.00 0.54 0.00 0.00 -2.04 0.00 0.00 34.95 33.45 1vs7 s ARG 91 CO 0.00 -0.49 0.00 2.41 -0.04 0.00 0.00 175.30 177.18 1vs7 n THR 92 N -0.19 0.00 -0.99 4.99 -1.04 0.27 -4.80 114.28 112.52 1vs7 n THR 92 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1vs7 n THR 92 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 1vs7 n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vs7 n LYS 93 N 10.34 -0.21 -1.82 -2.82 4.76 -1.26 -4.50 118.16 122.64 1vs7 n LYS 93 Ca 0.00 0.05 -0.01 0.00 -2.87 0.00 0.00 58.31 55.48 1vs7 n LYS 93 Cb 0.00 -3.17 -0.01 0.00 -1.84 0.00 0.00 35.03 30.01 1vs7 n LYS 93 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1vs7 n HIS 94 N -2.73 -2.27 0.00 2.13 8.25 -1.26 -4.83 115.22 114.51 1vs7 n HIS 94 Ca 0.00 1.34 0.00 0.00 -0.26 0.00 0.00 57.72 58.80 1vs7 n HIS 94 Cb 0.05 -2.80 0.00 0.00 1.12 0.00 0.00 29.99 28.37 1vs7 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vs7 n ALA 95 N 0.86 0.00 -2.61 -1.41 0.00 -1.26 -4.91 120.51 111.17 1vs7 n ALA 95 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.02 1vs7 n ALA 95 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1vs7 n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vs7 s VAL 96 N 0.00 5.12 -0.44 0.00 1.01 -1.26 -5.06 120.40 119.76 1vs7 s VAL 96 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1vs7 s VAL 96 Cb 0.00 -3.63 0.19 0.00 0.00 0.00 0.00 36.38 32.94 1vs7 s VAL 96 CO 0.00 0.08 0.51 0.41 0.00 0.00 0.00 175.10 176.09 1vs7 n THR 97 N 0.23 -0.74 0.00 3.92 -1.04 -1.26 -4.73 114.28 110.67 1vs7 n THR 97 Ca -0.03 -2.66 0.00 0.00 -2.04 0.00 0.00 64.05 59.32 1vs7 n THR 97 Cb 0.52 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1vs7 n THR 97 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1vs7 n GLU 98 N 2.65 0.00 -2.60 -2.82 0.28 -1.26 -5.12 120.64 111.76 1vs7 n GLU 98 Ca 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 57.22 1vs7 n GLU 98 Cb 0.52 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.37 1vs7 n GLU 98 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vs7 n ALA 99 N -3.00 -3.55 -0.77 -1.84 0.00 -1.26 -5.03 120.51 105.06 1vs7 n ALA 99 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 53.44 54.54 1vs7 n ALA 99 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1vs7 n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93