#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mop n GLY 3 N 0.00 -0.86 3.05 -5.12 0.00 -1.26 -4.66 105.19 96.35 3mop n GLY 3 Ca 0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3mop n GLY 3 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mop n PRO 4 N -4.54 2.87 -1.67 1.61 -0.04 -1.26 -4.98 135.00 126.99 3mop n PRO 4 Ca -0.15 -2.79 -0.49 0.00 -0.04 0.00 0.00 63.50 60.03 3mop n PRO 4 Cb 0.41 -3.35 -0.05 0.00 -0.04 0.00 0.00 33.50 30.47 3mop n PRO 4 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3mop n ILE 5 N 5.65 0.30 -4.10 0.52 5.41 -1.26 -4.97 119.36 120.90 3mop n ILE 5 Ca 0.51 -0.05 -0.09 0.00 1.00 0.00 0.00 62.75 64.11 3mop n ILE 5 Cb 0.42 -1.56 -0.10 0.00 -0.71 0.00 0.00 39.64 37.69 3mop n ILE 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3mop s THR 6 N 2.61 0.42 -1.15 1.39 -1.32 -1.26 -4.91 115.64 111.42 3mop s THR 6 Ca 0.88 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 3mop s THR 6 Cb -0.77 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 3mop s THR 6 CO 0.49 -0.82 0.14 -2.65 -2.21 0.00 0.00 174.62 169.57 3mop n PRO 7 N 0.40 0.25 -0.00 7.08 -0.02 -1.26 -1.04 135.00 140.41 3mop n PRO 7 Ca -0.16 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 3mop n PRO 7 Cb 0.59 -1.11 -0.02 0.00 -0.02 0.00 0.00 33.50 32.95 3mop n PRO 7 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mop n SER 8 N 0.25 4.41 -4.54 2.55 3.41 -1.26 -3.77 113.62 114.67 3mop n SER 8 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3mop n SER 8 Cb 0.05 1.08 0.17 0.00 -0.26 0.00 0.00 64.21 65.26 3mop n SER 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3mop s THR 9 N -2.17 1.93 -0.06 6.66 -4.23 -0.21 -4.81 115.64 112.74 3mop s THR 9 Ca -0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 3mop s THR 9 Cb 0.02 -2.63 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 3mop s THR 9 CO 0.11 0.00 0.30 -0.31 -0.54 0.00 0.00 174.62 174.18 3mop s TYR 10 N -3.16 3.65 0.04 3.99 2.02 -1.26 -1.41 117.35 121.23 3mop s TYR 10 Ca 0.66 0.78 -0.29 0.00 -0.37 0.00 0.00 57.07 57.86 3mop s TYR 10 Cb -0.15 -2.17 -0.17 0.00 -0.40 0.00 0.00 41.96 39.07 3mop s TYR 10 CO 0.55 0.63 1.44 0.28 -1.57 0.00 0.00 175.55 176.88 3mop h VAL 11 N 3.92 0.48 0.00 0.71 2.07 -1.55 -2.68 116.25 119.19 3mop h VAL 11 Ca -0.52 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3mop h VAL 11 Cb 1.22 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3mop h VAL 11 CO 0.62 0.04 0.00 -2.11 0.02 0.00 0.00 177.57 176.14 3mop n ARG 12 N -5.32 0.00 -0.84 1.57 -4.01 -1.26 -0.73 116.66 106.07 3mop n ARG 12 Ca -0.11 0.00 0.08 0.00 -1.04 0.00 0.00 57.85 56.77 3mop n ARG 12 Cb 0.31 -1.48 0.40 0.00 -3.04 0.00 0.00 32.46 28.64 3mop n ARG 12 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 3mop s LEU 14 N -2.60 4.22 0.00 0.00 1.43 0.10 -4.04 118.68 117.78 3mop s LEU 14 Ca 0.54 0.70 -0.38 0.00 -1.03 0.00 0.00 54.13 53.96 3mop s LEU 14 Cb 0.40 -2.63 -0.19 0.00 0.03 0.00 0.00 46.19 43.80 3mop s LEU 14 CO 0.18 -0.04 1.00 0.59 0.23 0.00 0.00 176.35 178.31 3mop n ASN 15 N 4.02 -0.01 0.24 2.29 3.02 -1.26 -4.77 115.26 118.80 3mop n ASN 15 Ca -0.07 1.09 0.17 0.00 -0.03 0.00 0.00 54.58 55.73 3mop n ASN 15 Cb 0.51 -0.86 0.76 0.00 -0.61 0.00 0.00 39.78 39.58 3mop n ASN 15 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3mop h VAL 16 N 2.81 0.00 0.09 2.41 3.04 -2.00 -1.94 116.25 120.66 3mop h VAL 16 Ca -0.48 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3mop h VAL 16 Cb 1.34 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3mop h VAL 16 CO 0.61 0.00 -0.04 1.23 -1.01 0.00 0.00 177.57 178.36 3mop h GLY 17 N 1.34 -0.12 1.21 3.17 0.00 -2.00 -3.28 103.07 103.39 3mop h GLY 17 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 3mop h GLY 17 CO 0.00 -0.04 0.48 -2.00 0.00 0.00 0.00 176.54 174.98 3mop h LEU 18 N -0.68 0.93 0.45 3.11 5.85 -1.77 -2.87 115.31 120.32 3mop h LEU 18 Ca -0.01 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3mop h LEU 18 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3mop h LEU 18 CO 0.02 0.71 -0.32 0.40 -0.34 0.00 0.00 178.44 178.91 3mop h ILE 19 N 1.08 0.34 0.00 4.05 1.08 -1.49 0.77 117.51 123.33 3mop h ILE 19 Ca 0.28 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.75 3mop h ILE 19 Cb -0.06 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 3mop h ILE 19 CO -0.05 0.00 0.00 -1.14 -0.69 0.00 0.00 178.15 176.27 3mop n ARG 20 N -5.45 0.00 -0.08 2.37 0.63 -1.09 -0.51 116.66 112.53 3mop n ARG 20 Ca -0.11 0.01 -0.18 0.00 -0.92 0.00 0.00 57.85 56.65 3mop n ARG 20 Cb 0.35 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.70 3mop n ARG 20 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3mop n LYS 21 N -0.90 0.37 0.00 -0.14 4.81 0.15 -4.19 118.16 118.26 3mop n LYS 21 Ca 0.00 0.16 0.04 0.00 -0.87 0.00 0.00 58.31 57.64 3mop n LYS 21 Cb 0.00 -1.13 0.22 0.00 0.02 0.00 0.00 35.03 34.14 3mop n LYS 21 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3mop n LEU 22 N -3.84 0.00 -0.02 3.14 -0.00 -0.55 -2.12 117.00 113.61 3mop n LEU 22 Ca -0.32 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.53 3mop n LEU 22 Cb 0.70 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 44.02 3mop n LEU 22 CO 0.03 0.00 0.39 -1.28 -0.00 0.00 0.00 177.39 176.53 3mop h SER 23 N 0.00 0.41 0.05 1.45 0.87 -0.98 -3.18 113.55 112.18 3mop h SER 23 Ca 0.00 -0.69 -0.00 0.00 -1.23 0.00 0.00 61.79 59.87 3mop h SER 23 Cb 0.00 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3mop h SER 23 CO 0.00 1.04 -0.01 0.44 -0.53 0.00 0.00 176.83 177.77 3mop h ASP 24 N -0.18 0.00 0.07 6.23 3.32 -1.59 0.64 116.42 124.90 3mop h ASP 24 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3mop h ASP 24 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3mop h ASP 24 CO 0.08 0.01 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.31 3mop h PHE 25 N 0.00 -0.08 0.00 4.55 0.04 -1.67 -3.39 116.94 116.39 3mop h PHE 25 Ca -0.00 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3mop h PHE 25 Cb 0.04 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 3mop h PHE 25 CO 0.00 -0.05 -0.04 0.82 -0.60 0.00 0.00 178.31 178.44 3mop h ILE 26 N -0.25 0.67 -0.33 -0.55 5.03 -1.46 -3.33 117.51 117.29 3mop h ILE 26 Ca -0.01 -0.17 -0.03 0.00 -0.12 0.00 0.00 64.86 64.53 3mop h ILE 26 Cb 0.07 1.10 -0.01 0.00 -3.03 0.00 0.00 36.82 34.95 3mop h ILE 26 CO 0.02 0.04 0.09 -0.78 -0.68 0.00 0.00 178.15 176.84 3mop h ASP 27 N 0.00 0.50 -3.44 1.72 -0.00 0.09 -0.38 116.42 114.91 3mop h ASP 27 Ca -0.00 -0.22 -0.49 0.00 -0.00 0.00 0.00 57.03 56.31 3mop h ASP 27 Cb 0.10 -0.13 0.02 0.00 -0.00 0.00 0.00 39.33 39.32 3mop h ASP 27 CO 0.01 0.59 0.04 -2.84 -0.00 0.00 0.00 179.24 177.03 3mop s PRO 28 N -5.33 3.59 -1.10 0.28 0.02 -1.25 -4.20 135.00 127.00 3mop s PRO 28 Ca -0.13 0.15 -0.07 0.00 0.02 0.00 0.00 61.00 60.97 3mop s PRO 28 Cb 0.09 -2.45 0.01 0.00 0.02 0.00 0.00 34.50 32.17 3mop s PRO 28 CO 0.75 -0.07 0.96 1.04 -0.33 0.00 0.00 177.00 179.34 3mop n GLN 29 N -1.87 -6.43 -2.45 5.54 6.02 -1.26 -2.21 117.38 114.72 3mop n GLN 29 Ca -0.00 0.68 -0.03 0.00 -0.01 0.00 0.00 57.00 57.64 3mop n GLN 29 Cb 0.55 -5.27 -0.00 0.00 1.02 0.00 0.00 30.24 26.54 3mop n GLN 29 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3mop n GLU 30 N -4.13 -2.76 -0.33 -1.09 -0.58 -1.26 -4.78 120.64 105.71 3mop n GLU 30 Ca -0.02 0.15 0.17 0.00 -0.42 0.00 0.00 57.16 57.05 3mop n GLU 30 Cb 0.56 -4.67 0.40 0.00 -0.57 0.00 0.00 31.44 27.16 3mop n GLU 30 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3mop h GLY 31 N 0.00 1.55 2.00 0.62 0.00 -1.30 -0.50 103.07 105.44 3mop h GLY 31 Ca -0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 3mop h GLY 31 CO 0.09 -0.11 -0.31 0.11 0.00 0.00 0.00 176.54 176.32 3mop h TRP 32 N 0.59 0.00 -0.41 5.60 5.08 -1.34 -2.29 115.95 123.19 3mop h TRP 32 Ca 0.58 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.48 3mop h TRP 32 Cb 1.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.29 3mop h TRP 32 CO -0.00 0.31 -0.06 0.87 -1.28 0.00 0.00 178.44 178.28 3mop h LYS 33 N 0.00 0.70 -0.12 0.12 1.57 -1.40 0.86 116.57 118.30 3mop h LYS 33 Ca -0.00 -0.20 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 3mop h LYS 33 Cb 1.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3mop h LYS 33 CO 0.04 0.75 -0.60 0.87 -0.57 0.00 0.00 179.45 179.95 3mop h LYS 34 N 0.65 0.39 -0.03 3.15 1.57 -1.37 -2.76 116.57 118.17 3mop h LYS 34 Ca 0.12 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3mop h LYS 34 Cb 0.49 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3mop h LYS 34 CO 0.03 0.87 -0.13 1.25 -0.57 0.00 0.00 179.45 180.90 3mop h LEU 35 N 0.29 0.17 -0.78 2.94 6.46 -0.94 -3.12 115.31 120.32 3mop h LEU 35 Ca -0.00 -0.65 0.18 0.00 -0.12 0.00 0.00 57.88 57.29 3mop h LEU 35 Cb 1.12 -0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 40.87 3mop h LEU 35 CO 0.10 0.79 0.06 0.00 -0.62 0.00 0.00 178.44 178.77 3mop h ALA 36 N 0.38 0.90 0.00 1.25 0.00 0.88 0.26 119.26 122.93 3mop h ALA 36 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3mop h ALA 36 Cb 0.78 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3mop h ALA 36 CO 0.03 -0.43 0.00 -0.39 0.00 0.00 0.00 179.25 178.46 3mop h VAL 37 N 0.13 0.00 0.00 0.00 -1.51 -1.61 -2.76 116.25 110.50 3mop h VAL 37 Ca 0.44 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3mop h VAL 37 Cb 0.81 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3mop h VAL 37 CO -0.66 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 175.68 3mop h ALA 38 N 2.31 1.00 -2.20 5.19 0.00 -0.90 -3.43 119.26 121.24 3mop h ALA 38 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3mop h ALA 38 Cb 0.78 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3mop h ALA 38 CO 0.00 0.00 0.61 0.42 0.00 0.00 0.00 179.25 180.28 3mop s ILE 39 N -3.26 4.77 -0.02 0.00 1.01 -0.83 -5.02 121.20 117.86 3mop s ILE 39 Ca 0.07 1.75 0.04 0.00 0.00 0.00 0.00 60.65 62.52 3mop s ILE 39 Cb 0.08 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 3mop s ILE 39 CO 0.60 -0.12 -0.15 -0.54 0.00 0.00 0.00 174.94 174.73 3mop s LYS 40 N 3.00 1.24 1.41 2.79 1.02 -1.26 -1.73 119.74 126.21 3mop s LYS 40 Ca 0.39 -0.52 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 3mop s LYS 40 Cb -0.15 -1.18 0.36 0.00 -0.52 0.00 0.00 37.83 36.34 3mop s LYS 40 CO 0.07 0.30 0.86 1.63 -0.92 0.00 0.00 175.35 177.29 3mop n LYS 41 N 2.80 -4.35 0.06 1.68 5.02 -1.04 -4.82 118.16 117.50 3mop n LYS 41 Ca -0.15 -1.29 -0.07 0.00 -2.02 0.00 0.00 58.31 54.79 3mop n LYS 41 Cb 0.55 -1.94 0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3mop n LYS 41 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3mop h PRO 42 N -3.44 0.36 -0.96 1.97 0.13 -2.01 -2.88 132.00 125.17 3mop h PRO 42 Ca -0.44 -0.24 0.21 0.00 -0.87 0.00 0.00 66.00 64.67 3mop h PRO 42 Cb 1.31 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 3mop h PRO 42 CO 0.28 0.84 0.62 0.77 -0.23 0.00 0.00 178.00 180.28 3mop h SER 43 N 0.27 0.51 0.00 1.44 0.02 -2.02 -3.45 113.55 110.32 3mop h SER 43 Ca -0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3mop h SER 43 Cb 1.10 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3mop h SER 43 CO 0.10 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 3mop n GLY 44 N -1.46 0.80 3.62 -3.77 0.00 -1.09 -5.10 105.19 98.18 3mop n GLY 44 Ca 0.21 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3mop n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mop n ASP 45 N 0.00 0.86 -4.59 1.61 8.00 -1.26 -4.66 116.55 116.51 3mop n ASP 45 Ca 0.00 0.82 -0.50 0.00 0.71 0.00 0.00 54.79 55.82 3mop n ASP 45 Cb 0.00 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.12 39.66 3mop n ASP 45 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mop n ASP 46 N -0.74 1.64 0.00 -2.24 8.00 -1.26 -2.50 116.55 119.45 3mop n ASP 46 Ca 0.13 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.76 3mop n ASP 46 Cb 0.47 -1.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 3mop n ASP 46 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3mop n ARG 47 N 2.16 0.00 -3.21 -1.24 0.63 -0.70 -4.67 116.66 109.62 3mop n ARG 47 Ca 0.16 0.23 -0.39 0.00 -0.92 0.00 0.00 57.85 56.93 3mop n ARG 47 Cb 0.23 -1.13 -0.06 0.00 0.45 0.00 0.00 32.46 31.96 3mop n ARG 47 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3mop s TYR 48 N -1.61 3.75 0.46 -0.14 2.02 -1.26 -4.96 117.35 115.61 3mop s TYR 48 Ca 0.00 1.27 0.07 0.00 -0.37 0.00 0.00 57.07 58.03 3mop s TYR 48 Cb 0.00 -2.58 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 3mop s TYR 48 CO 0.00 0.46 0.32 0.54 -1.57 0.00 0.00 175.55 175.30 3mop s ASN 49 N -0.63 4.70 0.46 2.29 2.20 -1.26 -4.80 114.94 117.90 3mop s ASN 49 Ca 0.31 -1.03 0.40 0.00 -0.94 0.00 0.00 52.86 51.60 3mop s ASN 49 Cb -0.19 -0.19 1.46 0.00 -2.00 0.00 0.00 41.25 40.33 3mop s ASN 49 CO 0.19 -0.77 1.36 1.67 -2.94 0.00 0.00 177.10 176.60 3mop n GLN 50 N -1.52 -0.01 -0.02 3.55 7.27 -1.26 -0.74 117.38 124.65 3mop n GLN 50 Ca -0.00 0.98 -0.18 0.00 0.07 0.00 0.00 57.00 57.86 3mop n GLN 50 Cb 0.64 -2.18 -0.13 0.00 2.41 0.00 0.00 30.24 30.98 3mop n GLN 50 CO 0.00 0.00 0.00 0.74 0.07 0.00 0.00 177.06 177.87 3mop h PHE 51 N 0.00 0.25 -0.21 3.69 0.04 -2.00 -3.14 116.94 115.57 3mop h PHE 51 Ca 0.81 -0.19 0.06 0.00 2.80 0.00 0.00 57.97 61.45 3mop h PHE 51 Cb 3.11 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 41.18 3mop h PHE 51 CO -0.00 1.28 -0.26 0.45 -0.60 0.00 0.00 178.31 179.17 3mop h HIS 52 N -0.67 -0.70 -0.88 -0.55 3.86 -1.31 -2.33 115.15 112.57 3mop h HIS 52 Ca -0.15 0.04 0.14 0.00 -1.16 0.00 0.00 60.37 59.24 3mop h HIS 52 Cb 1.39 0.34 -0.09 0.00 1.06 0.00 0.00 27.41 30.11 3mop h HIS 52 CO 0.20 -0.34 0.48 0.82 0.86 0.00 0.00 177.93 179.95 3mop h ILE 53 N -0.29 0.76 -0.99 2.45 1.08 -1.51 0.13 117.51 119.15 3mop h ILE 53 Ca 0.12 -0.24 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 3mop h ILE 53 Cb 0.48 0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 3mop h ILE 53 CO -0.37 0.13 0.65 0.03 -0.69 0.00 0.00 178.15 177.90 3mop h ARG 54 N 0.69 1.27 0.05 2.37 2.47 -1.38 -2.03 114.38 117.82 3mop h ARG 54 Ca 0.47 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 59.14 3mop h ARG 54 Cb 0.64 -0.29 -0.05 0.00 -1.65 0.00 0.00 29.97 28.62 3mop h ARG 54 CO -0.34 0.84 -0.48 0.00 0.56 0.00 0.00 179.97 180.55 3mop h ARG 55 N 1.31 -0.64 -0.57 0.04 3.08 -0.33 -2.40 114.38 114.87 3mop h ARG 55 Ca 0.38 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.59 3mop h ARG 55 Cb -0.09 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 3mop h ARG 55 CO -0.10 -0.42 -0.03 0.74 -1.07 0.00 0.00 179.97 179.09 3mop h PHE 56 N -0.66 -0.10 -0.86 3.04 -1.00 -1.18 -0.79 116.94 115.39 3mop h PHE 56 Ca 0.02 0.04 0.23 0.00 2.81 0.00 0.00 57.97 61.08 3mop h PHE 56 Cb 0.71 0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.35 3mop h PHE 56 CO -0.45 -0.17 0.61 1.49 -1.61 0.00 0.00 178.31 178.18 3mop h GLU 57 N 0.09 0.12 0.00 1.51 4.81 -0.89 0.30 114.58 120.51 3mop h GLU 57 Ca 0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3mop h GLU 57 Cb 0.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3mop h GLU 57 CO -0.51 0.08 0.00 0.00 -0.73 0.00 0.00 179.01 177.85 3mop n ALA 58 N -2.64 1.84 0.12 2.92 0.00 -0.30 -2.59 120.51 119.85 3mop n ALA 58 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.63 3mop n ALA 58 Cb 0.85 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 19.16 3mop n ALA 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mop n LEU 59 N -1.75 3.24 -0.06 0.00 4.77 0.10 -3.09 117.00 120.21 3mop n LEU 59 Ca 0.04 -1.64 -0.09 0.00 -0.03 0.00 0.00 56.01 54.29 3mop n LEU 59 Cb 0.24 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.60 3mop n LEU 59 CO 0.19 0.43 -0.87 0.18 -1.33 0.00 0.00 177.39 176.00 3mop n LEU 60 N 0.31 0.38 0.01 2.23 7.99 -1.07 -1.68 117.00 125.18 3mop n LEU 60 Ca 0.13 0.18 0.07 0.00 -0.01 0.00 0.00 56.01 56.39 3mop n LEU 60 Cb 0.69 0.35 0.31 0.00 -0.11 0.00 0.00 43.42 44.66 3mop n LEU 60 CO 0.16 0.44 0.73 1.67 -1.51 0.00 0.00 177.39 178.87 3mop n GLN 61 N -2.87 0.02 -0.01 3.23 7.27 -1.18 -2.10 117.38 121.74 3mop n GLN 61 Ca -0.25 0.27 0.10 0.00 0.07 0.00 0.00 57.00 57.19 3mop n GLN 61 Cb 1.10 -1.53 -0.15 0.00 2.41 0.00 0.00 30.24 32.07 3mop n GLN 61 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 3mop n THR 62 N -1.56 0.00 -2.18 1.69 5.66 -1.25 -5.02 114.28 111.62 3mop n THR 62 Ca 0.03 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 3mop n THR 62 Cb 0.17 0.25 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 3mop n THR 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mop n GLY 63 N 1.38 0.85 3.30 1.09 0.00 -0.89 -5.08 105.19 105.85 3mop n GLY 63 Ca -0.02 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3mop n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mop s LYS 64 N -4.34 3.33 -0.94 1.61 -0.14 -0.67 -5.05 119.74 113.54 3mop s LYS 64 Ca 0.00 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.69 3mop s LYS 64 Cb 0.00 -2.86 -0.23 0.00 -1.68 0.00 0.00 37.83 33.07 3mop s LYS 64 CO 0.00 -0.09 2.55 0.45 -0.76 0.00 0.00 175.35 177.50 3mop n SER 65 N 4.44 0.18 0.00 2.83 2.88 -1.26 -4.67 113.62 118.01 3mop n SER 65 Ca -0.19 -0.09 0.13 0.00 -1.33 0.00 0.00 58.87 57.40 3mop n SER 65 Cb 0.51 -0.93 0.68 0.00 -0.75 0.00 0.00 64.21 63.72 3mop n SER 65 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mop n PRO 66 N 7.95 0.38 -0.01 -1.46 -0.05 -1.26 -0.87 135.00 139.68 3mop n PRO 66 Ca 0.63 0.03 -0.10 0.00 -0.05 0.00 0.00 63.50 64.01 3mop n PRO 66 Cb 0.12 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.02 3mop n PRO 66 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 175.50 176.60 3mop h THR 67 N 0.00 0.92 0.69 0.52 2.02 -1.91 -2.88 112.91 112.27 3mop h THR 67 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 3mop h THR 67 Cb 0.25 0.86 0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3mop h THR 67 CO 0.00 0.01 -0.33 0.77 0.37 0.00 0.00 175.52 176.34 3mop h SER 68 N 0.05 -0.79 0.00 4.18 4.64 -1.36 0.13 113.55 120.40 3mop h SER 68 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3mop h SER 68 Cb 0.06 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3mop h SER 68 CO -0.09 -0.42 0.40 -0.33 -0.87 0.00 0.00 176.83 175.51 3mop h GLU 69 N -1.18 0.00 0.00 4.77 4.39 -1.18 0.96 114.58 122.34 3mop h GLU 69 Ca -0.09 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.23 3mop h GLU 69 Cb 0.73 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.31 3mop h GLU 69 CO 0.16 0.00 -2.42 -0.11 -1.16 0.00 0.00 179.01 175.48 3mop n LEU 70 N -2.80 0.95 0.46 1.33 0.00 -1.09 -3.40 117.00 112.45 3mop n LEU 70 Ca -0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 56.01 55.76 3mop n LEU 70 Cb 0.44 0.05 -0.09 0.00 0.00 0.00 0.00 43.42 43.82 3mop n LEU 70 CO 0.12 0.64 0.53 -0.07 0.00 0.00 0.00 177.39 178.60 3mop h LEU 71 N 0.00 -1.00 -0.35 -1.96 3.38 0.35 0.15 115.31 115.88 3mop h LEU 71 Ca -0.56 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.49 3mop h LEU 71 Cb 2.14 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 43.07 3mop h LEU 71 CO -0.01 -0.68 -0.55 0.15 0.09 0.00 0.00 178.44 177.45 3mop h PHE 72 N -1.25 -1.67 -0.34 1.13 3.57 -0.45 -2.30 116.94 115.63 3mop h PHE 72 Ca -0.12 0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.56 3mop h PHE 72 Cb 0.91 0.78 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 3mop h PHE 72 CO -0.00 -0.50 0.26 0.22 -2.23 0.00 0.00 178.31 176.06 3mop h ASP 73 N -0.43 0.00 -0.58 0.41 -0.00 -1.55 1.01 116.42 115.29 3mop h ASP 73 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 3mop h ASP 73 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 3mop h ASP 73 CO -0.56 0.00 0.00 1.87 -0.00 0.00 0.00 179.24 180.55 3mop n TRP 74 N -4.28 1.14 0.11 0.28 -0.00 0.51 -3.72 117.44 111.48 3mop n TRP 74 Ca 0.05 -0.48 0.02 0.00 -0.00 0.00 0.00 57.50 57.09 3mop n TRP 74 Cb 0.44 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.31 31.59 3mop n TRP 74 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3mop h GLY 75 N 4.50 0.00 -2.09 5.87 0.00 0.16 -3.32 103.07 108.19 3mop h GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mop h GLY 75 CO 0.14 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.38 3mop n THR 76 N -3.10 0.67 -2.44 4.70 -2.24 -1.19 -0.95 114.28 109.73 3mop n THR 76 Ca -0.02 -0.02 -0.01 0.00 -2.27 0.00 0.00 64.05 61.73 3mop n THR 76 Cb 0.76 -0.85 0.01 0.00 -2.10 0.00 0.00 70.33 68.16 3mop n THR 76 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3mop n THR 77 N 0.75 0.23 0.00 4.28 -2.24 -1.25 -5.04 114.28 111.02 3mop n THR 77 Ca 0.00 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.74 3mop n THR 77 Cb 0.31 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3mop n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mop n ASN 78 N -0.17 0.00 0.00 3.42 3.02 -0.13 -4.85 115.26 116.55 3mop n ASN 78 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3mop n ASN 78 Cb 0.91 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 3mop n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mop s THR 80 N 0.00 3.28 0.65 0.00 -1.32 -1.26 -2.56 115.64 114.43 3mop s THR 80 Ca 0.00 0.79 0.28 0.00 -1.21 0.00 0.00 61.69 61.56 3mop s THR 80 Cb 0.00 -3.32 0.30 0.00 -1.51 0.00 0.00 72.50 67.98 3mop s THR 80 CO 0.00 -0.18 1.88 0.58 -2.21 0.00 0.00 174.62 174.69 3mop h VAL 81 N 1.23 0.07 0.00 5.08 2.07 -1.49 0.69 116.25 123.90 3mop h VAL 81 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3mop h VAL 81 Cb 1.25 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3mop h VAL 81 CO 0.57 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.77 3mop n GLY 82 N -1.29 -2.59 0.49 2.17 0.00 -1.25 -2.28 105.19 100.45 3mop n GLY 82 Ca 0.00 0.03 0.35 0.00 0.00 0.00 0.00 46.02 46.40 3mop n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mop n ASP 83 N -1.73 0.00 0.05 1.61 10.43 0.20 -0.03 116.55 127.08 3mop n ASP 83 Ca 0.00 0.69 -0.08 0.00 2.57 0.00 0.00 54.79 57.97 3mop n ASP 83 Cb 0.00 -0.32 -0.05 0.00 1.84 0.00 0.00 41.12 42.59 3mop n ASP 83 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 3mop h LEU 84 N 0.00 -0.19 -0.05 0.64 5.85 -1.22 -2.75 115.31 117.59 3mop h LEU 84 Ca 0.61 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 3mop h LEU 84 Cb 2.63 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 43.71 3mop h LEU 84 CO -0.01 0.36 0.03 -0.37 -0.34 0.00 0.00 178.44 178.11 3mop h VAL 85 N -0.98 1.11 0.00 1.05 -1.51 -0.01 0.45 116.25 116.36 3mop h VAL 85 Ca -0.02 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3mop h VAL 85 Cb 0.42 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.80 3mop h VAL 85 CO 0.04 0.09 0.27 0.44 -1.23 0.00 0.00 177.57 177.18 3mop h ASP 86 N -0.04 0.00 0.07 4.19 3.45 -1.12 1.89 116.42 124.86 3mop h ASP 86 Ca 0.02 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.35 3mop h ASP 86 Cb 0.12 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 3mop h ASP 86 CO -0.00 0.00 -2.07 -0.11 -1.57 0.00 0.00 179.24 175.49 3mop n LEU 87 N -2.86 0.07 -0.03 1.55 7.94 -0.88 -3.21 117.00 119.59 3mop n LEU 87 Ca -0.02 0.03 -0.11 0.00 -1.11 0.00 0.00 56.01 54.80 3mop n LEU 87 Cb 0.32 0.17 -0.09 0.00 0.53 0.00 0.00 43.42 44.35 3mop n LEU 87 CO 0.14 0.17 0.35 -0.07 -1.11 0.00 0.00 177.39 176.87 3mop h LEU 88 N 0.00 -0.05 0.54 -1.96 3.38 0.50 -2.96 115.31 114.76 3mop h LEU 88 Ca -0.19 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.16 3mop h LEU 88 Cb 1.45 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 3mop h LEU 88 CO 0.01 0.69 -0.45 0.16 0.09 0.00 0.00 178.44 178.94 3mop h ILE 89 N -0.91 0.09 0.00 1.22 -0.00 0.24 0.39 117.51 118.54 3mop h ILE 89 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.85 3mop h ILE 89 Cb 0.65 0.09 0.00 0.00 -0.00 0.00 0.00 36.82 37.56 3mop h ILE 89 CO 0.01 0.00 0.28 0.06 -0.00 0.00 0.00 178.15 178.50 3mop h GLN 90 N -0.98 0.00 -0.28 0.16 3.07 -1.67 1.51 115.11 116.92 3mop h GLN 90 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3mop h GLN 90 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.40 3mop h GLN 90 CO -0.01 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.00 3mop n ASN 91 N -2.45 3.26 -0.20 0.06 5.03 -0.91 -4.98 115.26 115.08 3mop n ASN 91 Ca -0.01 -2.48 -0.03 0.00 0.87 0.00 0.00 54.58 52.93 3mop n ASN 91 Cb 0.31 -0.36 -0.01 0.00 -1.02 0.00 0.00 39.78 38.70 3mop n ASN 91 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3mop n GLU 92 N -0.06 -0.27 -2.94 3.52 1.02 0.52 -4.96 120.64 117.46 3mop n GLU 92 Ca 0.15 0.48 -0.43 0.00 -0.02 0.00 0.00 57.16 57.34 3mop n GLU 92 Cb 0.63 -4.02 0.01 0.00 -0.02 0.00 0.00 31.44 28.03 3mop n GLU 92 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3mop n PHE 93 N -2.88 3.16 -0.03 -0.32 3.01 0.13 -4.77 117.46 115.76 3mop n PHE 93 Ca -0.03 -2.93 -0.16 0.00 1.01 0.00 0.00 57.45 55.34 3mop n PHE 93 Cb 0.11 -1.54 -0.05 0.00 -0.01 0.00 0.00 39.48 37.99 3mop n PHE 93 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 3mop h PHE 94 N 5.84 1.03 -0.52 1.38 0.05 -1.88 -2.80 116.94 120.03 3mop h PHE 94 Ca 0.24 -0.42 0.04 0.00 3.82 0.00 0.00 57.97 61.64 3mop h PHE 94 Cb 0.68 -0.17 -0.04 0.00 2.00 0.00 0.00 35.95 38.42 3mop h PHE 94 CO 1.01 1.25 0.29 0.00 -0.18 0.00 0.00 178.31 180.68 3mop h ALA 95 N 0.64 0.67 -0.04 2.45 0.00 -1.97 0.17 119.26 121.19 3mop h ALA 95 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3mop h ALA 95 Cb 1.32 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3mop h ALA 95 CO 0.14 -0.04 -0.06 -1.35 0.00 0.00 0.00 179.25 177.95 3mop h PRO 96 N 0.56 0.11 0.00 0.00 0.11 -1.97 -3.11 132.00 127.70 3mop h PRO 96 Ca 0.22 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3mop h PRO 96 Cb 0.09 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3mop h PRO 96 CO -0.13 0.62 -0.03 0.00 -0.21 0.00 0.00 178.00 178.25 3mop h ALA 97 N 0.48 1.28 -0.31 -0.75 0.00 -1.36 0.76 119.26 119.38 3mop h ALA 97 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3mop h ALA 97 Cb 0.61 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3mop h ALA 97 CO 0.01 0.03 -0.44 0.66 0.00 0.00 0.00 179.25 179.52 3mop h SER 98 N 0.00 0.85 -0.55 0.00 4.64 -0.96 -2.28 113.55 115.25 3mop h SER 98 Ca -0.00 -0.41 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3mop h SER 98 Cb 0.11 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3mop h SER 98 CO 0.00 1.17 0.21 0.25 -0.87 0.00 0.00 176.83 177.59 3mop h LEU 99 N 0.63 0.77 0.00 5.97 5.85 -0.80 -2.92 115.31 124.81 3mop h LEU 99 Ca 0.04 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3mop h LEU 99 Cb 1.01 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.84 3mop h LEU 99 CO 0.10 0.74 0.00 0.18 -0.34 0.00 0.00 178.44 179.11 3mop n LEU 100 N -4.50 0.00 -3.60 2.25 4.77 -0.87 -4.78 117.00 110.28 3mop n LEU 100 Ca 0.03 0.78 -0.28 0.00 -0.03 0.00 0.00 56.01 56.51 3mop n LEU 100 Cb 0.17 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 3mop n LEU 100 CO 0.39 -0.28 -0.33 -1.48 -1.33 0.00 0.00 177.39 174.35 3mop s LEU 101 N -2.86 0.62 0.00 2.23 2.34 -0.86 -4.94 118.68 115.21 3mop s LEU 101 Ca 0.00 -0.99 0.00 0.00 0.06 0.00 0.00 54.13 53.20 3mop s LEU 101 Cb 0.00 -0.36 0.00 0.00 -0.56 0.00 0.00 46.19 45.27 3mop s LEU 101 CO 0.00 -0.39 0.15 -2.65 -1.06 0.00 0.00 176.35 172.40 3mop n PRO 102 N 5.22 0.16 0.00 1.48 -0.02 -1.10 -4.22 135.00 136.51 3mop n PRO 102 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3mop n PRO 102 Cb 0.45 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3mop n PRO 102 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mop n ASP 103 N 0.90 0.00 -3.72 2.55 8.00 -1.26 -4.66 116.55 118.37 3mop n ASP 103 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3mop n ASP 103 Cb 0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3mop n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mop n ALA 104 N -3.00 4.60 -3.50 2.24 0.00 -1.26 -4.73 120.51 114.86 3mop n ALA 104 Ca 0.00 -3.65 -0.27 0.00 0.00 0.00 0.00 53.44 49.52 3mop n ALA 104 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 15.78 3mop n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mop n VAL 105 N 5.51 0.91 -0.38 0.00 0.31 -1.26 -4.94 118.33 118.47 3mop n VAL 105 Ca 0.51 -4.56 -0.22 0.00 -0.01 0.00 0.00 64.34 60.05 3mop n VAL 105 Cb 0.40 -2.02 0.21 0.00 -0.91 0.00 0.00 33.84 31.52 3mop n VAL 105 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3mop n PRO 106 N 1.61 -3.49 -3.66 5.55 -0.02 -1.26 -5.00 135.00 128.72 3mop n PRO 106 Ca 0.25 -1.04 -0.28 0.00 -2.02 0.00 0.00 63.50 60.41 3mop n PRO 106 Cb 0.43 -1.67 -0.12 0.00 -0.02 0.00 0.00 33.50 32.13 3mop n PRO 106 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mop s LEU 107 N -3.46 2.81 0.00 2.45 1.43 -1.26 -5.11 118.68 115.54 3mop s LEU 107 Ca 0.49 -3.07 0.00 0.00 -1.03 0.00 0.00 54.13 50.52 3mop s LEU 107 Cb -0.09 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.14 3mop s LEU 107 CO 0.41 -0.19 0.00 -0.62 0.23 0.00 0.00 176.35 176.18