#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg5 h LEU 2 N 0.00 0.00 -0.23 1.04 4.07 -1.58 -1.90 115.31 116.71 3fg5 h LEU 2 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3fg5 h LEU 2 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3fg5 h LEU 2 CO 0.00 0.00 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.23 3fg5 h LEU 3 N 0.00 0.45 -0.20 1.67 -0.00 -1.94 -1.94 115.31 113.35 3fg5 h LEU 3 Ca 0.00 -0.37 -0.13 0.00 -0.00 0.00 0.00 57.88 57.38 3fg5 h LEU 3 Cb 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 3fg5 h LEU 3 CO 0.00 0.72 -0.38 -0.33 -0.00 0.00 0.00 178.44 178.45 3fg5 h GLU 4 N 0.18 0.61 -0.68 1.13 3.07 -1.74 -2.95 114.58 114.21 3fg5 h GLU 4 Ca 0.06 -0.39 0.04 0.00 -0.50 0.00 0.00 59.36 58.56 3fg5 h GLU 4 Cb 0.53 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 3fg5 h GLU 4 CO 0.02 1.01 0.41 0.35 -1.40 0.00 0.00 179.01 179.40 3fg5 h PHE 5 N 0.29 0.77 -0.34 4.33 3.57 -1.46 -0.55 116.94 123.56 3fg5 h PHE 5 Ca 0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 3fg5 h PHE 5 Cb 0.98 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3fg5 h PHE 5 CO 0.09 0.43 -0.19 0.78 -2.23 0.00 0.00 178.31 177.19 3fg5 h GLY 6 N 0.80 0.70 1.11 2.40 0.00 -1.39 -1.36 103.07 105.34 3fg5 h GLY 6 Ca 0.28 -0.55 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 3fg5 h GLY 6 CO -0.12 0.51 -0.35 1.70 0.00 0.00 0.00 176.54 178.28 3fg5 h LYS 7 N 0.57 0.94 -0.28 4.80 3.64 -1.28 -2.30 116.57 122.65 3fg5 h LYS 7 Ca 0.09 -0.48 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 3fg5 h LYS 7 Cb 0.64 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 3fg5 h LYS 7 CO 0.05 1.13 0.11 1.98 -2.27 0.00 0.00 179.45 180.46 3fg5 h MET 8 N 0.76 0.24 -0.20 1.90 4.05 -0.81 -0.45 114.93 120.41 3fg5 h MET 8 Ca 0.07 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3fg5 h MET 8 Cb 0.94 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 3fg5 h MET 8 CO 0.09 0.16 0.10 0.82 0.23 0.00 0.00 176.91 178.31 3fg5 h ILE 9 N 0.25 1.13 -0.47 1.77 2.04 -1.20 -1.10 117.51 119.93 3fg5 h ILE 9 Ca 0.12 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3fg5 h ILE 9 Cb 0.07 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3fg5 h ILE 9 CO -0.11 0.13 0.29 0.25 0.00 0.00 0.00 178.15 178.71 3fg5 h LEU 10 N 0.20 0.47 -1.02 1.44 5.85 -1.21 0.32 115.31 121.35 3fg5 h LEU 10 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3fg5 h LEU 10 Cb 0.12 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3fg5 h LEU 10 CO -0.01 0.34 0.25 -0.33 -0.34 0.00 0.00 178.44 178.35 3fg5 h GLU 11 N 0.58 0.96 0.07 1.25 5.08 -0.94 0.16 114.58 121.74 3fg5 h GLU 11 Ca 0.19 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3fg5 h GLU 11 Cb -0.00 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.10 3fg5 h GLU 11 CO -0.08 0.79 -0.47 1.49 -1.00 0.00 0.00 179.01 179.74 3fg5 h GLU 12 N 0.94 0.19 0.00 2.33 4.57 -0.64 -3.40 114.58 118.57 3fg5 h GLU 12 Ca 0.22 -0.30 -0.14 0.00 -1.18 0.00 0.00 59.36 57.95 3fg5 h GLU 12 Cb 0.19 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3fg5 h GLU 12 CO -0.02 1.12 -2.02 0.25 -1.18 0.00 0.00 179.01 177.16 3fg5 n THR 13 N -4.33 0.54 0.00 0.32 -2.24 0.11 -4.83 114.28 103.85 3fg5 n THR 13 Ca -0.12 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3fg5 n THR 13 Cb 0.67 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 3fg5 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg5 n GLY 14 N 1.65 2.45 3.86 3.38 0.00 0.57 -5.04 105.19 112.07 3fg5 n GLY 14 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3fg5 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg5 s LYS 16 N -0.70 3.88 -0.01 1.61 1.02 -1.26 -4.95 119.74 119.33 3fg5 s LYS 16 Ca 0.00 0.43 -0.26 0.00 0.02 0.00 0.00 55.97 56.15 3fg5 s LYS 16 Cb 0.00 -2.58 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 3fg5 s LYS 16 CO 0.00 0.26 0.83 -0.51 -0.92 0.00 0.00 175.35 175.01 3fg5 s LEU 17 N -2.84 4.37 0.22 3.17 1.43 -1.26 -3.49 118.68 120.27 3fg5 s LEU 17 Ca 0.50 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 3fg5 s LEU 17 Cb -0.11 -3.32 0.31 0.00 0.03 0.00 0.00 46.19 43.10 3fg5 s LEU 17 CO 0.20 -0.14 1.64 0.00 0.23 0.00 0.00 176.35 178.27 3fg5 h ALA 18 N 6.52 0.56 -3.17 4.21 0.00 -1.94 -2.57 119.26 122.87 3fg5 h ALA 18 Ca -0.42 0.24 -0.63 0.00 0.00 0.00 0.00 54.91 54.09 3fg5 h ALA 18 Cb 1.21 0.44 -0.20 0.00 0.00 0.00 0.00 17.79 19.23 3fg5 h ALA 18 CO 0.74 -0.42 -0.62 0.42 0.00 0.00 0.00 179.25 179.37 3fg5 s ILE 19 N -6.18 4.30 -1.45 0.00 1.01 -1.26 -0.13 121.20 117.49 3fg5 s ILE 19 Ca -0.14 -0.20 0.20 0.00 0.00 0.00 0.00 60.65 60.51 3fg5 s ILE 19 Cb 0.20 -2.95 0.65 0.00 0.01 0.00 0.00 42.46 40.38 3fg5 s ILE 19 CO 0.74 0.43 1.56 -0.81 0.00 0.00 0.00 174.94 176.86 3fg5 n PRO 20 N 4.03 3.22 -0.08 2.79 -0.04 -1.25 -4.94 135.00 138.73 3fg5 n PRO 20 Ca -0.17 -2.73 -0.09 0.00 -0.04 0.00 0.00 63.50 60.47 3fg5 n PRO 20 Cb 0.52 -1.71 0.06 0.00 -0.04 0.00 0.00 33.50 32.34 3fg5 n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3fg5 h SER 21 N 3.96 0.80 0.00 3.54 0.02 -1.34 -3.36 113.55 117.18 3fg5 h SER 21 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 3fg5 h SER 21 Cb 1.20 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3fg5 h SER 21 CO 0.11 1.05 0.00 -1.22 -1.14 0.00 0.00 176.83 175.63 3fg5 n TYR 22 N -4.08 0.00 0.31 3.45 4.01 0.82 -4.53 117.16 117.15 3fg5 n TYR 22 Ca -0.01 -0.12 0.13 0.00 -0.16 0.00 0.00 57.90 57.73 3fg5 n TYR 22 Cb 0.48 -0.01 0.26 0.00 -0.31 0.00 0.00 39.34 39.76 3fg5 n TYR 22 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg5 h SER 23 N 0.00 0.00 -0.37 7.72 4.64 -1.43 -3.24 113.55 120.87 3fg5 h SER 23 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3fg5 h SER 23 Cb 0.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.96 3fg5 h SER 23 CO 0.00 0.00 -0.79 -1.54 -0.87 0.00 0.00 176.83 173.63 3fg5 n SER 24 N -2.91 0.19 -4.83 4.97 3.41 -1.21 -3.89 113.62 109.36 3fg5 n SER 24 Ca 0.04 -2.29 -0.37 0.00 -0.26 0.00 0.00 58.87 55.99 3fg5 n SER 24 Cb 0.49 0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3fg5 n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3fg5 s TYR 25 N -1.99 3.61 0.00 7.33 6.14 -1.00 -0.02 117.35 131.42 3fg5 s TYR 25 Ca 0.21 0.70 0.00 0.00 0.64 0.00 0.00 57.07 58.62 3fg5 s TYR 25 Cb 0.40 -2.16 0.00 0.00 0.42 0.00 0.00 41.96 40.62 3fg5 s TYR 25 CO -0.05 0.58 0.00 0.41 0.64 0.00 0.00 175.55 177.13 3fg5 n GLY 26 N 2.28 1.68 0.00 8.97 0.00 -0.21 -2.03 105.19 115.89 3fg5 n GLY 26 Ca -0.16 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.51 3fg5 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg5 n TYR 28 N -1.73 0.00 -2.55 0.00 4.02 -1.25 -3.90 117.16 111.75 3fg5 n TYR 28 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 3fg5 n TYR 28 Cb 0.40 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.70 3fg5 n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fg5 n GLY 30 N 4.88 0.40 3.80 0.00 0.00 -1.22 -2.38 105.19 110.68 3fg5 n GLY 30 Ca 0.13 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.20 3fg5 n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fg5 s TRP 31 N 0.00 2.89 0.35 1.61 -0.00 -1.25 -4.93 118.94 117.61 3fg5 s TRP 31 Ca 0.00 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 57.60 3fg5 s TRP 31 Cb 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 33.47 30.46 3fg5 s TRP 31 CO 0.00 -1.35 0.00 0.41 -0.00 0.00 0.00 176.95 176.01 3fg5 n GLY 32 N -1.20 -1.91 3.15 5.86 0.00 -1.26 -4.77 105.19 105.06 3fg5 n GLY 32 Ca 0.09 -0.96 0.04 0.00 0.00 0.00 0.00 46.02 45.19 3fg5 n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg5 s GLY 33 N -6.47 -1.20 -0.07 -0.02 0.00 -1.26 -4.66 107.32 93.64 3fg5 s GLY 33 Ca 0.00 1.26 -0.28 0.00 0.00 0.00 0.00 44.72 45.71 3fg5 s GLY 33 CO 0.00 3.77 0.62 1.25 0.00 0.00 0.00 173.10 178.74 3fg5 s LYS 34 N 2.85 0.97 0.76 2.90 2.20 -1.25 -5.10 119.74 123.08 3fg5 s LYS 34 Ca 0.13 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 3fg5 s LYS 34 Cb -0.08 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 3fg5 s LYS 34 CO -0.25 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3fg5 n GLY 35 N 1.16 -1.82 3.59 5.54 0.00 -0.98 -4.73 105.19 107.96 3fg5 n GLY 35 Ca -0.19 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 3fg5 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg5 s THR 36 N 0.00 4.89 0.13 2.61 2.01 -1.23 -4.56 115.64 119.49 3fg5 s THR 36 Ca 0.00 0.01 -0.35 0.00 0.31 0.00 0.00 61.69 61.66 3fg5 s THR 36 Cb 0.00 -3.26 -0.15 0.00 0.01 0.00 0.00 72.50 69.10 3fg5 s THR 36 CO 0.00 0.38 1.46 -2.65 -0.69 0.00 0.00 174.62 173.12 3fg5 n PRO 37 N 4.24 1.69 0.12 4.92 -0.02 -1.26 -4.81 135.00 139.87 3fg5 n PRO 37 Ca -0.16 0.61 -0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3fg5 n PRO 37 Cb 0.52 -2.32 0.29 0.00 -0.02 0.00 0.00 33.50 31.97 3fg5 n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fg5 h LYS 38 N 5.24 0.20 0.00 -0.52 1.79 -1.96 -3.47 116.57 117.84 3fg5 h LYS 38 Ca -0.46 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 3fg5 h LYS 38 Cb 1.29 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3fg5 h LYS 38 CO 0.83 0.52 0.12 -0.40 -1.08 0.00 0.00 179.45 179.44 3fg5 n ASP 39 N -4.10 -0.76 -0.15 0.86 5.75 -1.26 -5.00 116.55 111.89 3fg5 n ASP 39 Ca -0.01 -1.50 -0.03 0.00 -0.01 0.00 0.00 54.79 53.24 3fg5 n ASP 39 Cb 0.42 1.26 0.06 0.00 -1.03 0.00 0.00 41.12 41.82 3fg5 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg5 h ALA 40 N 2.00 0.52 -0.68 2.12 0.00 -1.92 0.16 119.26 121.45 3fg5 h ALA 40 Ca -0.11 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fg5 h ALA 40 Cb 0.43 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3fg5 h ALA 40 CO 0.14 -0.33 0.32 1.15 0.00 0.00 0.00 179.25 180.54 3fg5 h THR 41 N 0.21 1.22 -0.20 0.00 2.02 -1.91 -0.60 112.91 113.64 3fg5 h THR 41 Ca 0.24 -0.63 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 3fg5 h THR 41 Cb 0.32 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3fg5 h THR 41 CO -0.33 0.26 -0.34 -0.78 0.37 0.00 0.00 175.52 174.71 3fg5 h ASP 42 N 0.96 0.42 -0.48 4.18 3.58 -1.65 -2.44 116.42 120.99 3fg5 h ASP 42 Ca 0.24 -0.16 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 3fg5 h ASP 42 Cb 0.11 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3fg5 h ASP 42 CO -0.03 0.73 -0.06 0.03 -2.88 0.00 0.00 179.24 177.03 3fg5 h ARG 43 N 0.35 0.94 -0.49 0.28 3.08 0.37 -0.82 114.38 118.09 3fg5 h ARG 43 Ca 0.04 -0.31 0.07 0.00 0.07 0.00 0.00 59.98 59.85 3fg5 h ARG 43 Cb 0.76 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.67 3fg5 h ARG 43 CO 0.06 0.96 0.17 0.00 -1.07 0.00 0.00 179.97 180.09 3fg5 h PHE 46 N 0.96 0.78 -0.56 0.00 3.57 -0.37 0.29 116.94 121.60 3fg5 h PHE 46 Ca 0.17 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 3fg5 h PHE 46 Cb 0.53 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3fg5 h PHE 46 CO 0.04 0.54 -0.08 0.28 -2.23 0.00 0.00 178.31 176.86 3fg5 h VAL 47 N 0.79 1.27 -0.13 1.41 2.07 -0.74 -0.81 116.25 120.11 3fg5 h VAL 47 Ca 0.21 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3fg5 h VAL 47 Cb -0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3fg5 h VAL 47 CO -0.04 0.44 0.08 -0.74 0.02 0.00 0.00 177.57 177.34 3fg5 h HIS 48 N 0.93 0.17 -0.31 1.57 -0.00 -0.52 0.39 115.15 117.39 3fg5 h HIS 48 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.58 3fg5 h HIS 48 Cb 0.65 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.96 3fg5 h HIS 48 CO 0.04 0.14 -0.02 -0.44 -0.00 0.00 0.00 177.93 177.65 3fg5 h ASP 49 N 0.16 -0.16 -0.94 3.26 5.19 -0.23 -0.51 116.42 123.19 3fg5 h ASP 49 Ca 0.05 0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.60 3fg5 h ASP 49 Cb 0.01 0.14 -0.06 0.00 0.18 0.00 0.00 39.33 39.60 3fg5 h ASP 49 CO -0.01 -0.05 0.61 0.00 -3.12 0.00 0.00 179.24 176.67 3fg5 h TYR 52 N 0.54 0.63 -0.33 0.00 0.05 -0.41 -2.21 116.97 115.24 3fg5 h TYR 52 Ca 0.15 -0.07 0.10 0.00 0.05 0.00 0.00 58.73 58.96 3fg5 h TYR 52 Cb -0.01 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3fg5 h TYR 52 CO -0.04 0.60 0.30 0.78 -1.05 0.00 0.00 178.16 178.75 3fg5 h GLY 53 N 0.88 0.00 1.68 3.88 0.00 0.09 0.12 103.07 109.73 3fg5 h GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3fg5 h GLY 53 CO 0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.25 3fg5 n ASN 54 N -4.02 0.00 -3.44 0.19 3.02 -0.83 -4.18 115.26 106.00 3fg5 n ASN 54 Ca 0.05 0.04 -0.28 0.00 -0.03 0.00 0.00 54.58 54.36 3fg5 n ASN 54 Cb 0.46 -0.34 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 3fg5 n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fg5 n LEU 55 N -1.34 4.05 -0.15 3.41 4.77 0.43 -4.94 117.00 123.23 3fg5 n LEU 55 Ca 0.12 -5.45 -0.04 0.00 -0.03 0.00 0.00 56.01 50.61 3fg5 n LEU 55 Cb 0.25 -0.71 0.05 0.00 -2.33 0.00 0.00 43.42 40.68 3fg5 n LEU 55 CO 0.23 2.05 0.96 -0.65 -1.33 0.00 0.00 177.39 178.65 3fg5 h PRO 56 N 4.19 0.34 -0.91 3.23 0.11 -1.75 -2.81 132.00 134.40 3fg5 h PRO 56 Ca 0.20 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 66.02 3fg5 h PRO 56 Cb 0.64 -0.08 -0.16 0.00 0.11 0.00 0.00 31.00 31.52 3fg5 h PRO 56 CO 0.88 0.22 0.34 -0.25 -0.21 0.00 0.00 178.00 178.98 3fg5 n ASP 59 N -5.00 3.78 -4.75 -2.05 10.43 -1.26 -4.88 116.55 112.82 3fg5 n ASP 59 Ca 0.04 -3.01 -0.26 0.00 2.57 0.00 0.00 54.79 54.14 3fg5 n ASP 59 Cb 0.19 -0.71 -0.07 0.00 1.84 0.00 0.00 41.12 42.36 3fg5 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fg5 s ASN 67 N -3.93 2.27 0.44 0.00 0.01 -1.26 -5.01 114.94 107.47 3fg5 s ASN 67 Ca 0.38 -3.17 0.19 0.00 -0.71 0.00 0.00 52.86 49.54 3fg5 s ASN 67 Cb 0.04 -0.70 1.13 0.00 0.41 0.00 0.00 41.25 42.13 3fg5 s ASN 67 CO 0.21 -0.16 1.89 -0.65 -1.51 0.00 0.00 177.10 176.87 3fg5 h PRO 68 N 5.69 0.33 0.00 -0.60 0.11 -1.92 0.21 132.00 135.83 3fg5 h PRO 68 Ca 0.22 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.18 3fg5 h PRO 68 Cb 0.88 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3fg5 h PRO 68 CO 0.44 0.22 -0.65 0.87 -0.21 0.00 0.00 178.00 178.67 3fg5 h LYS 69 N 0.34 0.00 0.00 1.05 1.57 -1.95 -3.12 116.57 114.47 3fg5 h LYS 69 Ca 0.42 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3fg5 h LYS 69 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3fg5 h LYS 69 CO -0.13 0.65 -1.15 -1.13 -0.57 0.00 0.00 179.45 177.12 3fg5 n SER 70 N -3.30 4.25 -4.64 0.86 3.41 -0.98 -2.19 113.62 111.03 3fg5 n SER 70 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 3fg5 n SER 70 Cb 0.78 1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 65.86 3fg5 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fg5 s ASP 71 N -2.38 6.85 0.19 4.04 -1.08 0.71 -4.68 116.67 120.32 3fg5 s ASP 71 Ca -0.01 1.28 -0.17 0.00 -0.52 0.00 0.00 52.55 53.13 3fg5 s ASP 71 Cb 0.02 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 3fg5 s ASP 71 CO 0.14 -0.91 0.64 -0.13 0.52 0.00 0.00 175.17 175.42 3fg5 s ARG 72 N 3.77 4.11 0.32 4.34 0.52 -1.26 0.14 118.95 130.90 3fg5 s ARG 72 Ca 0.51 0.68 0.03 0.00 -0.52 0.00 0.00 55.73 56.43 3fg5 s ARG 72 Cb -0.16 -2.90 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 3fg5 s ARG 72 CO 0.17 0.43 0.09 1.52 0.02 0.00 0.00 175.30 177.53 3fg5 s TYR 73 N -1.50 1.80 -0.05 -0.53 -0.85 -1.26 -4.82 117.35 110.14 3fg5 s TYR 73 Ca 0.40 -1.10 0.05 0.00 -0.52 0.00 0.00 57.07 55.91 3fg5 s TYR 73 Cb -0.16 -1.14 -0.02 0.00 0.38 0.00 0.00 41.96 41.02 3fg5 s TYR 73 CO 0.20 -0.16 -0.18 0.15 -1.52 0.00 0.00 175.55 174.03 3fg5 s LYS 74 N -3.90 2.47 0.01 -3.49 -0.14 -1.26 -4.94 119.74 108.50 3fg5 s LYS 74 Ca 0.35 -0.78 -0.08 0.00 -1.36 0.00 0.00 55.97 54.10 3fg5 s LYS 74 Cb 0.07 -2.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 3fg5 s LYS 74 CO 0.15 0.55 0.15 1.52 -0.76 0.00 0.00 175.35 176.96 3fg5 s TYR 75 N -0.55 0.05 0.32 3.18 -0.85 -1.26 -0.67 117.35 117.56 3fg5 s TYR 75 Ca 0.08 -0.16 0.04 0.00 -0.52 0.00 0.00 57.07 56.51 3fg5 s TYR 75 Cb -0.11 -0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.12 3fg5 s TYR 75 CO 0.01 -0.32 0.04 -1.59 -1.52 0.00 0.00 175.55 172.17 3fg5 s LYS 76 N -1.63 1.63 -0.23 -3.49 -2.85 0.46 -4.94 119.74 108.69 3fg5 s LYS 76 Ca -0.13 -1.89 0.02 0.00 -1.00 0.00 0.00 55.97 52.97 3fg5 s LYS 76 Cb -0.06 -0.90 0.04 0.00 -2.06 0.00 0.00 37.83 34.85 3fg5 s LYS 76 CO 0.01 -0.15 -0.14 1.03 0.10 0.00 0.00 175.35 176.19 3fg5 s ARG 77 N -3.87 2.56 -0.53 1.78 0.52 -1.26 0.05 118.95 118.21 3fg5 s ARG 77 Ca 0.35 -1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 3fg5 s ARG 77 Cb 0.08 -2.77 0.06 0.00 0.52 0.00 0.00 34.95 32.84 3fg5 s ARG 77 CO 0.15 -0.42 0.72 0.08 0.02 0.00 0.00 175.30 175.85 3fg5 s VAL 78 N 1.18 4.73 0.00 3.52 1.01 -0.38 -4.80 120.40 125.67 3fg5 s VAL 78 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3fg5 s VAL 78 Cb -0.17 -4.39 0.00 0.00 0.00 0.00 0.00 36.38 31.82 3fg5 s VAL 78 CO -0.08 -0.94 0.00 0.59 0.00 0.00 0.00 175.10 174.67 3fg5 n ASN 79 N 6.55 0.00 0.12 3.32 3.02 -1.26 -2.06 115.26 124.95 3fg5 n ASN 79 Ca -0.05 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.63 3fg5 n ASN 79 Cb 0.45 0.00 0.43 0.00 -0.61 0.00 0.00 39.78 40.06 3fg5 n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg5 n GLY 80 N 0.00 -1.58 3.77 7.41 0.00 -1.26 -4.99 105.19 108.53 3fg5 n GLY 80 Ca 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3fg5 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg5 s ALA 81 N -3.18 3.41 -0.12 4.61 0.00 -0.87 -5.00 121.76 120.61 3fg5 s ALA 81 Ca 0.08 1.19 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 3fg5 s ALA 81 Cb 0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3fg5 s ALA 81 CO 0.53 -0.62 0.58 0.42 0.00 0.00 0.00 175.76 176.68 3fg5 s ILE 82 N -1.19 5.11 -0.18 0.00 1.01 -1.26 -1.24 121.20 123.43 3fg5 s ILE 82 Ca 0.51 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.32 3fg5 s ILE 82 Cb -0.38 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.22 3fg5 s ILE 82 CO 0.50 0.25 -0.08 -0.69 0.00 0.00 0.00 174.94 174.92 3fg5 s VAL 83 N 0.99 1.39 0.11 2.92 1.01 0.11 -4.94 120.40 121.98 3fg5 s VAL 83 Ca 0.30 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 3fg5 s VAL 83 Cb -0.16 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.64 3fg5 s VAL 83 CO 0.13 0.14 1.12 0.00 0.00 0.00 0.00 175.10 176.49 3fg5 s GLU 85 N 0.33 3.61 0.10 0.00 2.02 0.16 -4.94 118.70 119.98 3fg5 s GLU 85 Ca 0.53 -0.03 -0.31 0.00 0.02 0.00 0.00 54.97 55.19 3fg5 s GLU 85 Cb -0.28 -2.64 -0.10 0.00 0.10 0.00 0.00 34.13 31.20 3fg5 s GLU 85 CO 0.32 0.20 1.88 0.21 0.02 0.00 0.00 175.26 177.88 3fg5 s LYS 86 N -3.66 4.13 0.00 1.61 2.20 -1.26 -4.69 119.74 118.07 3fg5 s LYS 86 Ca 0.44 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 3fg5 s LYS 86 Cb -0.11 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 3fg5 s LYS 86 CO 0.31 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 3fg5 n GLY 88 N 4.33 4.97 3.65 5.54 0.00 -1.26 -4.96 105.19 117.46 3fg5 n GLY 88 Ca 0.18 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 3fg5 n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fg5 s THR 89 N -0.05 1.81 0.16 2.61 -4.23 -1.26 -4.77 115.64 109.91 3fg5 s THR 89 Ca 0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.37 3fg5 s THR 89 Cb 0.00 -2.53 0.04 0.00 1.34 0.00 0.00 72.50 71.35 3fg5 s THR 89 CO 0.00 0.00 1.75 -1.28 -0.54 0.00 0.00 174.62 174.55 3fg5 h SER 90 N -2.20 0.64 -0.52 3.99 0.87 -2.01 -1.98 113.55 112.34 3fg5 h SER 90 Ca -0.49 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 59.94 3fg5 h SER 90 Cb 1.31 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 3fg5 h SER 90 CO 0.46 0.57 0.26 0.00 -0.53 0.00 0.00 176.83 177.59 3fg5 h GLU 92 N 0.69 1.10 0.23 0.00 5.08 -1.87 0.14 114.58 119.95 3fg5 h GLU 92 Ca 0.18 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3fg5 h GLU 92 Cb 0.09 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3fg5 h GLU 92 CO -0.03 0.83 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.80 3fg5 h ASN 93 N 1.10 -0.26 -0.12 1.42 2.35 -1.05 -1.26 115.58 117.76 3fg5 h ASN 93 Ca 0.27 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3fg5 h ASN 93 Cb 0.08 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3fg5 h ASN 93 CO -0.04 -0.06 -0.06 0.03 -1.65 0.00 0.00 177.43 175.66 3fg5 h ARG 94 N -0.45 0.39 -0.29 0.81 3.08 -1.26 -1.67 114.38 114.99 3fg5 h ARG 94 Ca -0.03 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3fg5 h ARG 94 Cb 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3fg5 h ARG 94 CO 0.05 0.47 -0.09 0.82 -1.07 0.00 0.00 179.97 180.15 3fg5 h ILE 95 N 0.37 1.29 -0.92 2.04 2.04 -0.88 -2.40 117.51 119.06 3fg5 h ILE 95 Ca 0.08 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.82 3fg5 h ILE 95 Cb 0.34 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3fg5 h ILE 95 CO 0.01 0.36 0.60 0.00 0.00 0.00 0.00 178.15 179.13 3fg5 h GLU 97 N 1.21 0.71 -0.43 0.00 4.39 -1.16 -0.48 114.58 118.82 3fg5 h GLU 97 Ca 0.35 -0.17 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 3fg5 h GLU 97 Cb -0.09 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 3fg5 h GLU 97 CO -0.09 0.71 0.00 0.00 -1.16 0.00 0.00 179.01 178.47 3fg5 h ASP 99 N 0.59 0.85 -0.15 0.00 5.19 -1.04 -2.82 116.42 119.04 3fg5 h ASP 99 Ca 0.12 -0.43 0.04 0.00 -0.62 0.00 0.00 57.03 56.15 3fg5 h ASP 99 Cb 0.48 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.71 3fg5 h ASP 99 CO 0.02 1.09 -0.11 0.50 -3.12 0.00 0.00 179.24 177.62 3fg5 h LYS 100 N 0.61 -0.11 -0.85 3.56 3.64 -1.06 -0.85 116.57 121.51 3fg5 h LYS 100 Ca 0.08 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3fg5 h LYS 100 Cb 0.80 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 3fg5 h LYS 100 CO 0.06 -0.07 0.53 0.00 -2.27 0.00 0.00 179.45 177.70 3fg5 h ALA 101 N 0.99 1.16 -0.54 5.00 0.00 -1.44 -1.70 119.26 122.74 3fg5 h ALA 101 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fg5 h ALA 101 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fg5 h ALA 101 CO -0.22 0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.33 3fg5 h ALA 102 N 1.39 0.73 -0.76 0.00 0.00 -1.16 0.62 119.26 120.08 3fg5 h ALA 102 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fg5 h ALA 102 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3fg5 h ALA 102 CO -0.16 0.54 0.48 0.00 0.00 0.00 0.00 179.25 180.11 3fg5 h ALA 103 N 0.96 0.97 -0.22 0.00 0.00 -0.55 0.32 119.26 120.74 3fg5 h ALA 103 Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fg5 h ALA 103 Cb 0.52 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fg5 h ALA 103 CO 0.03 0.41 -0.19 0.82 0.00 0.00 0.00 179.25 180.31 3fg5 h ILE 104 N 1.03 1.32 -0.85 0.00 2.04 -1.22 -1.51 117.51 118.33 3fg5 h ILE 104 Ca 0.28 -1.34 0.06 0.00 1.00 0.00 0.00 64.86 64.85 3fg5 h ILE 104 Cb -0.08 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3fg5 h ILE 104 CO -0.06 0.41 0.55 0.00 0.00 0.00 0.00 178.15 179.06 3fg5 h PHE 106 N 0.97 0.84 -0.16 0.00 0.04 -0.12 -2.52 116.94 115.99 3fg5 h PHE 106 Ca 0.36 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 3fg5 h PHE 106 Cb 0.17 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3fg5 h PHE 106 CO -0.00 0.85 0.09 -0.09 -0.60 0.00 0.00 178.31 178.56 3fg5 h ARG 107 N 0.59 0.22 0.00 1.51 9.65 -0.33 -2.37 114.38 123.66 3fg5 h ARG 107 Ca 0.11 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3fg5 h ARG 107 Cb 0.54 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3fg5 h ARG 107 CO 0.03 0.21 0.00 0.37 2.80 0.00 0.00 179.97 183.37 3fg5 h GLN 108 N 0.18 0.00 -0.01 0.20 4.15 -0.64 -2.92 115.11 116.08 3fg5 h GLN 108 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3fg5 h GLN 108 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3fg5 h GLN 108 CO -0.01 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.98 3fg5 n ASN 109 N -2.87 2.28 -0.16 -0.69 3.02 -0.96 -4.74 115.26 111.15 3fg5 n ASN 109 Ca -0.02 -2.78 -0.04 0.00 -0.03 0.00 0.00 54.58 51.71 3fg5 n ASN 109 Cb 0.11 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 39.02 3fg5 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3fg5 h LEU 110 N 0.04 0.21 -1.46 3.41 3.38 -1.23 -2.24 115.31 117.42 3fg5 h LEU 110 Ca 0.00 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.14 3fg5 h LEU 110 Cb 0.87 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3fg5 h LEU 110 CO 0.00 0.15 0.69 -0.55 0.09 0.00 0.00 178.44 178.82 3fg5 h ASN 111 N 0.37 0.00 -0.20 -0.43 -0.00 -1.85 0.20 115.58 113.66 3fg5 h ASN 111 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.53 3fg5 h ASN 111 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.55 3fg5 h ASN 111 CO -0.22 0.00 0.00 0.35 -0.00 0.00 0.00 177.43 177.56 3fg5 n THR 112 N -3.21 1.28 -1.83 6.14 -2.24 -0.85 -5.01 114.28 108.56 3fg5 n THR 112 Ca 0.08 -1.25 -0.42 0.00 -2.27 0.00 0.00 64.05 60.19 3fg5 n THR 112 Cb 0.84 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3fg5 n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3fg5 s TYR 113 N -1.45 2.95 -0.13 4.78 6.14 0.69 -4.93 117.35 125.41 3fg5 s TYR 113 Ca 0.20 0.55 0.01 0.00 0.64 0.00 0.00 57.07 58.48 3fg5 s TYR 113 Cb 0.13 -4.03 0.02 0.00 0.42 0.00 0.00 41.96 38.50 3fg5 s TYR 113 CO 0.09 -3.77 -0.16 0.45 0.64 0.00 0.00 175.55 172.80 3fg5 s SER 114 N 1.02 2.64 0.27 4.32 0.15 -1.26 -5.00 113.70 115.84 3fg5 s SER 114 Ca 0.70 -0.48 0.21 0.00 0.70 0.00 0.00 55.95 57.08 3fg5 s SER 114 Cb -0.47 -1.18 1.02 0.00 -1.71 0.00 0.00 66.02 63.68 3fg5 s SER 114 CO 0.35 -0.00 1.64 0.29 1.20 0.00 0.00 173.24 176.71 3fg5 n LYS 115 N 4.40 0.15 0.00 5.44 5.02 -1.26 -1.60 118.16 130.30 3fg5 n LYS 115 Ca -0.18 0.54 0.14 0.00 -2.02 0.00 0.00 58.31 56.78 3fg5 n LYS 115 Cb 0.51 -1.89 0.77 0.00 -0.02 0.00 0.00 35.03 34.40 3fg5 n LYS 115 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3fg5 n LYS 116 N -2.19 0.63 0.00 1.97 2.85 -1.26 -2.87 118.16 117.29 3fg5 n LYS 116 Ca 0.00 0.01 0.09 0.00 -1.05 0.00 0.00 58.31 57.36 3fg5 n LYS 116 Cb 0.11 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.98 3fg5 n LYS 116 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3fg5 n TYR 117 N -1.15 0.00 -2.41 5.58 4.01 -0.63 -4.84 117.16 117.72 3fg5 n TYR 117 Ca 0.17 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.56 3fg5 n TYR 117 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3fg5 n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3fg5 s MET 118 N -2.03 3.66 -1.20 -0.72 -1.94 -1.14 -1.05 119.30 114.89 3fg5 s MET 118 Ca 0.14 1.51 -0.05 0.00 -1.71 0.00 0.00 55.69 55.58 3fg5 s MET 118 Cb 0.14 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.88 3fg5 s MET 118 CO 0.45 -0.57 0.29 1.28 -0.01 0.00 0.00 175.02 176.46 3fg5 n LEU 119 N -0.96 -1.48 -4.70 -0.03 4.77 0.97 -4.86 117.00 110.72 3fg5 n LEU 119 Ca 0.10 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 3fg5 n LEU 119 Cb 0.51 -2.20 -0.03 0.00 -2.33 0.00 0.00 43.42 39.37 3fg5 n LEU 119 CO 0.42 0.05 1.45 0.00 -1.33 0.00 0.00 177.39 177.97 3fg5 n TYR 120 N -3.75 2.67 -1.86 -1.77 9.36 -1.17 -4.93 117.16 115.70 3fg5 n TYR 120 Ca -0.08 -0.10 -0.39 0.00 3.32 0.00 0.00 57.90 60.66 3fg5 n TYR 120 Cb 0.58 -2.72 0.02 0.00 -0.63 0.00 0.00 39.34 36.59 3fg5 n TYR 120 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3fg5 s PRO 121 N 2.28 3.51 0.16 2.98 0.04 -1.26 -4.93 135.00 137.78 3fg5 s PRO 121 Ca 0.80 2.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.95 3fg5 s PRO 121 Cb -0.49 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 31.62 3fg5 s PRO 121 CO 0.36 -0.90 1.78 0.22 0.04 0.00 0.00 177.00 178.49 3fg5 h ASP 122 N 1.99 0.63 0.00 6.66 1.82 -1.96 -3.06 116.42 122.51 3fg5 h ASP 122 Ca -0.51 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 3fg5 h ASP 122 Cb 1.28 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.13 3fg5 h ASP 122 CO 0.60 0.53 0.05 2.19 -1.61 0.00 0.00 179.24 180.99 3fg5 h PHE 124 N 0.67 0.00 -0.19 0.28 -0.00 -2.03 -0.64 116.94 115.04 3fg5 h PHE 124 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.15 3fg5 h PHE 124 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.99 3fg5 h PHE 124 CO -0.02 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.57 3fg5 n LEU 125 N -2.63 1.50 -4.31 2.10 4.77 -1.16 -4.51 117.00 112.76 3fg5 n LEU 125 Ca -0.02 -0.66 -0.44 0.00 -0.03 0.00 0.00 56.01 54.86 3fg5 n LEU 125 Cb 0.09 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3fg5 n LEU 125 CO 0.14 0.33 0.68 0.00 -1.33 0.00 0.00 177.39 177.21 3fg5 s LYS 127 N -1.05 4.01 0.00 0.00 1.02 -1.26 -3.77 119.74 118.68 3fg5 s LYS 127 Ca 0.28 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.96 3fg5 s LYS 127 Cb -0.10 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 3fg5 s LYS 127 CO -0.09 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 3fg5 n GLY 128 N 3.93 0.89 3.29 -3.33 0.00 -1.26 -3.53 105.19 105.18 3fg5 n GLY 128 Ca -0.16 -2.27 -0.16 0.00 0.00 0.00 0.00 46.02 43.43 3fg5 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fg5 s GLU 129 N -0.99 1.18 -0.30 1.61 -1.05 -1.26 -2.32 118.70 115.56 3fg5 s GLU 129 Ca 0.00 -1.50 -0.03 0.00 -0.15 0.00 0.00 54.97 53.28 3fg5 s GLU 129 Cb 0.00 -0.86 0.18 0.00 -0.44 0.00 0.00 34.13 33.01 3fg5 s GLU 129 CO 0.00 0.13 0.65 -1.17 0.95 0.00 0.00 175.26 175.82 3fg5 s LEU 130 N -3.20 -1.27 0.27 1.83 0.20 -1.26 -4.88 118.68 110.37 3fg5 s LEU 130 Ca 0.19 0.94 -0.28 0.00 0.69 0.00 0.00 54.13 55.67 3fg5 s LEU 130 Cb 0.01 2.12 -0.09 0.00 -0.43 0.00 0.00 46.19 47.80 3fg5 s LEU 130 CO 0.03 -0.24 0.92 -0.54 -0.29 0.00 0.00 176.35 176.24 3fg5 s LYS 131 N 2.86 4.69 0.00 1.98 1.02 -1.26 -5.07 119.74 123.97 3fg5 s LYS 131 Ca 0.15 1.37 0.07 0.00 0.02 0.00 0.00 55.97 57.58 3fg5 s LYS 131 Cb -0.14 -3.05 0.42 0.00 -0.52 0.00 0.00 37.83 34.54 3fg5 s LYS 131 CO -0.20 0.41 0.88 0.00 -0.92 0.00 0.00 175.35 175.52