#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lr9 s LEU 2 N 0.00 4.23 0.85 0.99 1.02 -1.26 -5.11 118.68 119.40 3lr9 s LEU 2 Ca 0.00 0.21 -0.12 0.00 0.02 0.00 0.00 54.13 54.24 3lr9 s LEU 2 Cb 0.00 -2.83 0.10 0.00 0.02 0.00 0.00 46.19 43.48 3lr9 s LEU 2 CO 0.00 0.18 1.11 -0.94 0.02 0.00 0.00 176.35 176.72 3lr9 s SER 3 N -2.44 4.08 0.23 2.29 1.04 -1.26 -4.84 113.70 112.80 3lr9 s SER 3 Ca 0.33 1.16 -0.07 0.00 0.48 0.00 0.00 55.95 57.84 3lr9 s SER 3 Cb -0.13 -1.82 0.26 0.00 0.10 0.00 0.00 66.02 64.43 3lr9 s SER 3 CO 0.26 -2.21 1.87 0.44 0.98 0.00 0.00 173.24 174.57 3lr9 h ASP 4 N -1.26 0.86 -0.78 7.02 3.32 -1.99 -0.83 116.42 122.76 3lr9 h ASP 4 Ca -0.48 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.52 3lr9 h ASP 4 Cb 1.30 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.62 3lr9 h ASP 4 CO 0.60 0.58 0.34 1.23 -1.72 0.00 0.00 179.24 180.27 3lr9 h GLY 5 N 1.01 1.25 0.89 2.75 0.00 -1.99 -1.16 103.07 105.81 3lr9 h GLY 5 Ca 0.33 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3lr9 h GLY 5 CO -0.12 0.62 -0.06 0.83 0.00 0.00 0.00 176.54 177.81 3lr9 h GLU 6 N 1.14 0.57 -0.89 4.80 5.08 -1.80 -2.13 114.58 121.36 3lr9 h GLU 6 Ca 0.27 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3lr9 h GLU 6 Cb 0.18 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3lr9 h GLU 6 CO -0.03 0.75 0.58 -1.49 -1.00 0.00 0.00 179.01 177.83 3lr9 h TRP 7 N 0.34 1.07 -0.77 4.33 -0.00 -0.94 -0.74 115.95 119.23 3lr9 h TRP 7 Ca 0.08 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.95 3lr9 h TRP 7 Cb 0.54 -0.36 -0.03 0.00 -0.00 0.00 0.00 29.16 29.30 3lr9 h TRP 7 CO 0.05 0.62 0.31 0.37 -0.00 0.00 0.00 178.44 179.79 3lr9 h GLN 8 N 1.10 1.14 -0.49 0.49 4.15 -0.95 -1.57 115.11 118.99 3lr9 h GLN 8 Ca 0.35 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 3lr9 h GLN 8 Cb 0.03 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 3lr9 h GLN 8 CO -0.11 0.92 0.16 1.96 -1.93 0.00 0.00 178.83 179.84 3lr9 h GLN 9 N 1.12 0.75 -0.51 1.69 4.20 -0.70 -1.13 115.11 120.53 3lr9 h GLN 9 Ca 0.26 -0.16 0.06 0.00 0.06 0.00 0.00 58.65 58.88 3lr9 h GLN 9 Cb 0.20 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 3lr9 h GLN 9 CO -0.02 0.70 0.20 0.28 -0.67 0.00 0.00 178.83 179.32 3lr9 h VAL 10 N 0.65 0.86 0.00 -0.54 2.07 -0.77 -0.60 116.25 117.92 3lr9 h VAL 10 Ca 0.16 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3lr9 h VAL 10 Cb 0.26 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3lr9 h VAL 10 CO -0.01 0.07 -0.13 -0.07 0.02 0.00 0.00 177.57 177.45 3lr9 h LEU 11 N 0.39 0.00 -0.07 2.57 3.38 -1.16 -0.80 115.31 119.63 3lr9 h LEU 11 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3lr9 h LEU 11 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3lr9 h LEU 11 CO -0.23 0.13 -0.10 -1.13 0.09 0.00 0.00 178.44 177.21 3lr9 h ASN 12 N 0.00 0.20 -0.90 -0.43 -0.73 -0.73 -2.94 115.58 110.05 3lr9 h ASN 12 Ca -0.00 -0.53 0.09 0.00 1.87 0.00 0.00 56.30 57.73 3lr9 h ASN 12 Cb 1.08 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 39.54 3lr9 h ASN 12 CO 0.02 0.69 0.55 0.58 -0.37 0.00 0.00 177.43 178.90 3lr9 h VAL 13 N -0.28 0.96 0.00 2.57 2.07 -1.00 -2.05 116.25 118.52 3lr9 h VAL 13 Ca 0.01 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 3lr9 h VAL 13 Cb 0.65 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3lr9 h VAL 13 CO 0.02 0.17 -0.07 -0.25 0.02 0.00 0.00 177.57 177.46 3lr9 h TRP 14 N 0.93 0.00 -0.59 1.57 2.91 -1.06 0.03 115.95 119.74 3lr9 h TRP 14 Ca 0.42 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.54 3lr9 h TRP 14 Cb 0.33 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.94 3lr9 h TRP 14 CO -0.03 0.07 0.40 0.78 -1.03 0.00 0.00 178.44 178.63 3lr9 h GLY 15 N 0.39 0.56 0.95 2.65 0.00 -1.19 -1.17 103.07 105.26 3lr9 h GLY 15 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3lr9 h GLY 15 CO 0.01 0.10 0.16 0.50 0.00 0.00 0.00 176.54 177.30 3lr9 h LYS 16 N 0.40 0.40 -0.53 4.80 1.57 -1.09 -2.83 116.57 119.29 3lr9 h LYS 16 Ca 0.27 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3lr9 h LYS 16 Cb 0.55 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 3lr9 h LYS 16 CO -0.07 0.35 0.33 0.28 -0.57 0.00 0.00 179.45 179.76 3lr9 h VAL 17 N 0.35 1.16 0.00 0.50 2.07 -1.32 -2.84 116.25 116.16 3lr9 h VAL 17 Ca 0.10 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3lr9 h VAL 17 Cb 0.06 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3lr9 h VAL 17 CO -0.02 0.16 -0.03 -0.33 0.02 0.00 0.00 177.57 177.37 3lr9 h GLU 18 N 0.71 0.00 0.00 1.57 5.08 -1.14 -1.11 114.58 119.69 3lr9 h GLU 18 Ca 0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 3lr9 h GLU 18 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3lr9 h GLU 18 CO -0.04 0.03 -0.29 0.00 -1.00 0.00 0.00 179.01 177.71 3lr9 h ALA 19 N 1.97 0.94 -1.21 3.43 0.00 -1.26 -3.37 119.26 119.77 3lr9 h ALA 19 Ca -0.00 -0.27 -0.38 0.00 0.00 0.00 0.00 54.91 54.26 3lr9 h ALA 19 Cb 0.23 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 17.71 3lr9 h ALA 19 CO 0.00 0.37 -0.77 -3.47 0.00 0.00 0.00 179.25 175.38 3lr9 n ASP 20 N -3.36 -1.61 -0.15 0.00 2.03 -0.51 -5.02 116.55 107.93 3lr9 n ASP 20 Ca 0.01 -2.89 -0.10 0.00 0.52 0.00 0.00 54.79 52.33 3lr9 n ASP 20 Cb 0.51 0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 41.53 3lr9 n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3lr9 h ILE 21 N 3.29 1.26 -0.31 5.18 2.10 -1.49 -1.44 117.51 126.10 3lr9 h ILE 21 Ca 0.03 -1.04 -0.01 0.00 1.08 0.00 0.00 64.86 64.92 3lr9 h ILE 21 Cb 0.98 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 3lr9 h ILE 21 CO 0.32 0.36 0.17 0.00 -1.08 0.00 0.00 178.15 177.92 3lr9 h ALA 22 N 0.91 0.39 -0.39 0.18 0.00 -1.87 0.14 119.26 118.61 3lr9 h ALA 22 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3lr9 h ALA 22 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3lr9 h ALA 22 CO 0.02 -0.08 0.12 0.78 0.00 0.00 0.00 179.25 180.10 3lr9 h GLY 23 N 0.37 0.66 0.99 0.00 0.00 -1.90 0.97 103.07 104.16 3lr9 h GLY 23 Ca 0.11 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 3lr9 h GLY 23 CO -0.02 0.36 0.15 0.45 0.00 0.00 0.00 176.54 177.49 3lr9 h HIS 24 N 0.49 0.87 -0.38 5.60 -0.00 -1.17 -1.89 115.15 118.66 3lr9 h HIS 24 Ca 0.13 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 3lr9 h HIS 24 Cb 0.26 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 3lr9 h HIS 24 CO 0.01 0.75 0.15 0.78 -0.00 0.00 0.00 177.93 179.62 3lr9 h GLY 25 N 0.74 0.62 0.70 2.45 0.00 -0.51 -0.51 103.07 106.56 3lr9 h GLY 25 Ca 0.17 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3lr9 h GLY 25 CO -0.00 0.32 -0.05 -1.61 0.00 0.00 0.00 176.54 175.20 3lr9 h GLN 26 N 0.47 -0.04 -0.47 4.80 4.15 -0.76 -1.79 115.11 121.48 3lr9 h GLN 26 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 3lr9 h GLN 26 Cb 0.20 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3lr9 h GLN 26 CO -0.01 -0.02 0.05 0.93 -1.93 0.00 0.00 178.83 177.85 3lr9 h GLU 27 N -0.04 0.74 -0.14 1.69 5.08 -1.17 0.09 114.58 120.83 3lr9 h GLU 27 Ca 0.07 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3lr9 h GLU 27 Cb 0.14 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3lr9 h GLU 27 CO -0.15 0.72 0.06 0.28 -1.00 0.00 0.00 179.01 178.92 3lr9 h VAL 28 N 0.70 1.13 -0.51 3.13 2.07 -0.84 -0.86 116.25 121.07 3lr9 h VAL 28 Ca 0.15 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 3lr9 h VAL 28 Cb 0.36 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3lr9 h VAL 28 CO 0.01 0.12 -0.05 -0.07 0.02 0.00 0.00 177.57 177.61 3lr9 h LEU 29 N 0.09 0.88 -0.64 2.57 3.38 -1.06 -0.77 115.31 119.75 3lr9 h LEU 29 Ca 0.05 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3lr9 h LEU 29 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3lr9 h LEU 29 CO -0.01 0.96 0.18 0.40 0.09 0.00 0.00 178.44 180.07 3lr9 h ILE 30 N 0.82 1.25 -0.56 1.22 2.04 -0.89 0.56 117.51 121.94 3lr9 h ILE 30 Ca 0.14 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3lr9 h ILE 30 Cb 0.55 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3lr9 h ILE 30 CO 0.03 0.34 0.36 -0.09 0.00 0.00 0.00 178.15 178.79 3lr9 h ARG 31 N 0.93 0.75 0.12 2.37 9.65 -0.96 -0.24 114.38 127.01 3lr9 h ARG 31 Ca 0.20 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.02 3lr9 h ARG 31 Cb 0.32 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3lr9 h ARG 31 CO -0.00 0.52 -0.06 1.25 2.80 0.00 0.00 179.97 184.48 3lr9 h LEU 32 N 0.76 -0.15 -0.66 3.80 5.85 -0.79 -1.65 115.31 122.49 3lr9 h LEU 32 Ca 0.20 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 3lr9 h LEU 32 Cb -0.05 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3lr9 h LEU 32 CO -0.04 -0.10 -0.42 -0.26 -0.34 0.00 0.00 178.44 177.28 3lr9 h PHE 33 N -0.17 0.67 0.14 1.25 0.04 -0.74 -0.54 116.94 117.59 3lr9 h PHE 33 Ca -0.01 -0.20 -0.28 0.00 2.80 0.00 0.00 57.97 60.27 3lr9 h PHE 33 Cb 0.13 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.15 3lr9 h PHE 33 CO -0.07 0.89 -1.26 1.79 -0.60 0.00 0.00 178.31 179.06 3lr9 h THR 34 N 0.46 1.44 0.00 -1.55 1.35 -1.06 -2.86 112.91 110.69 3lr9 h THR 34 Ca 0.04 -2.89 -0.13 0.00 -0.55 0.00 0.00 66.41 62.88 3lr9 h THR 34 Cb 0.92 2.89 -0.02 0.00 -1.73 0.00 0.00 68.15 70.22 3lr9 h THR 34 CO 0.08 0.85 -0.61 1.23 -0.25 0.00 0.00 175.52 176.83 3lr9 h GLY 35 N 1.20 0.00 -6.20 5.82 0.00 -1.29 -3.39 103.07 99.21 3lr9 h GLY 35 Ca -0.16 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.62 3lr9 h GLY 35 CO 0.22 0.00 -0.97 1.42 0.00 0.00 0.00 176.54 177.20 3lr9 n HIS 36 N -3.52 -1.03 0.28 5.60 8.25 -0.21 -5.00 115.22 119.59 3lr9 n HIS 36 Ca -0.00 -3.23 0.18 0.00 -0.26 0.00 0.00 57.72 54.42 3lr9 n HIS 36 Cb 0.67 0.23 0.94 0.00 1.12 0.00 0.00 29.99 32.96 3lr9 n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3lr9 h PRO 37 N 5.26 0.00 0.00 -0.41 0.11 -1.72 -0.41 132.00 134.83 3lr9 h PRO 37 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 3lr9 h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3lr9 h PRO 37 CO 0.37 0.00 -0.07 1.05 -0.21 0.00 0.00 178.00 179.14 3lr9 h GLU 38 N 0.00 0.00 -0.17 1.05 9.09 -1.93 -2.24 114.58 120.38 3lr9 h GLU 38 Ca 0.04 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.33 3lr9 h GLU 38 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.48 3lr9 h GLU 38 CO -0.00 0.07 -0.42 1.79 0.05 0.00 0.00 179.01 180.50 3lr9 h THR 39 N 0.00 1.31 -0.62 -1.06 1.35 -1.39 -2.65 112.91 109.85 3lr9 h THR 39 Ca -0.00 -1.57 0.05 0.00 -0.55 0.00 0.00 66.41 64.35 3lr9 h THR 39 Cb 0.17 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.19 3lr9 h THR 39 CO 0.01 0.48 0.41 0.25 -0.25 0.00 0.00 175.52 176.42 3lr9 h LEU 40 N 0.32 0.56 -1.89 3.87 5.85 -1.55 -2.09 115.31 120.38 3lr9 h LEU 40 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3lr9 h LEU 40 Cb 0.87 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3lr9 h LEU 40 CO 0.07 0.37 0.00 -0.33 -0.34 0.00 0.00 178.44 178.21 3lr9 h GLU 41 N 0.64 0.00 0.00 1.25 4.39 -1.54 -1.29 114.58 118.03 3lr9 h GLU 41 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3lr9 h GLU 41 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3lr9 h GLU 41 CO -0.08 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.40 3lr9 n LYS 42 N -2.82 0.18 -3.62 2.33 4.76 -0.79 -4.48 118.16 113.72 3lr9 n LYS 42 Ca -0.01 0.24 -0.39 0.00 -2.87 0.00 0.00 58.31 55.28 3lr9 n LYS 42 Cb 0.16 -1.75 -0.09 0.00 -1.84 0.00 0.00 35.03 31.51 3lr9 n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3lr9 s PHE 43 N -3.14 3.48 0.33 2.13 0.40 -0.49 -4.95 117.98 115.75 3lr9 s PHE 43 Ca 0.09 -2.06 0.07 0.00 -0.60 0.00 0.00 56.93 54.43 3lr9 s PHE 43 Cb 0.12 -3.41 0.76 0.00 0.51 0.00 0.00 43.02 41.00 3lr9 s PHE 43 CO 0.50 -0.99 1.83 -0.44 0.70 0.00 0.00 175.22 176.83 3lr9 h ASP 44 N 8.30 0.74 0.40 1.36 3.32 -1.81 -1.43 116.42 127.29 3lr9 h ASP 44 Ca -0.18 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3lr9 h ASP 44 Cb 1.06 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3lr9 h ASP 44 CO 0.81 0.34 0.00 2.29 -1.72 0.00 0.00 179.24 180.96 3lr9 n LYS 45 N -4.63 0.47 0.00 3.56 2.85 -1.26 -3.07 118.16 116.08 3lr9 n LYS 45 Ca 0.20 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 3lr9 n LYS 45 Cb 0.50 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 3lr9 n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 3lr9 n PHE 46 N -1.23 0.00 0.13 5.58 3.72 -0.61 -4.74 117.46 120.31 3lr9 n PHE 46 Ca 0.14 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.69 3lr9 n PHE 46 Cb 0.19 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.41 3lr9 n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3lr9 h LYS 47 N 0.02 0.00 0.00 -1.08 1.57 -1.29 -1.29 116.57 114.50 3lr9 h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3lr9 h LYS 47 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3lr9 h LYS 47 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 179.45 180.00 3lr9 h HIS 48 N 0.00 0.00 -1.98 -1.35 2.07 -1.85 -3.41 115.15 108.63 3lr9 h HIS 48 Ca 0.13 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.14 3lr9 h HIS 48 Cb 0.52 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.44 3lr9 h HIS 48 CO 0.00 0.00 1.22 -0.51 -3.07 0.00 0.00 177.93 175.57 3lr9 s LEU 49 N -4.81 3.25 0.06 6.12 1.43 -0.49 -4.81 118.68 119.43 3lr9 s LEU 49 Ca 0.04 -0.08 0.23 0.00 -1.03 0.00 0.00 54.13 53.29 3lr9 s LEU 49 Cb 0.09 -2.54 0.09 0.00 0.03 0.00 0.00 46.19 43.86 3lr9 s LEU 49 CO 0.44 -2.18 1.06 0.29 0.23 0.00 0.00 176.35 176.19 3lr9 n LYS 50 N 9.22 0.28 -4.17 1.70 4.76 -1.26 -4.93 118.16 123.75 3lr9 n LYS 50 Ca 0.16 0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.50 3lr9 n LYS 50 Cb 0.51 -1.60 -0.10 0.00 -1.84 0.00 0.00 35.03 31.99 3lr9 n LYS 50 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3lr9 s THR 51 N -3.19 0.59 0.39 -0.18 -4.23 -1.26 -5.03 115.64 102.72 3lr9 s THR 51 Ca 0.04 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 58.72 3lr9 s THR 51 Cb 0.14 -1.78 0.16 0.00 1.34 0.00 0.00 72.50 72.36 3lr9 s THR 51 CO 0.79 -0.78 1.91 -0.08 -0.54 0.00 0.00 174.62 175.93 3lr9 h GLU 52 N 2.92 0.22 -0.61 3.99 4.81 -1.99 -1.52 114.58 122.40 3lr9 h GLU 52 Ca -0.35 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3lr9 h GLU 52 Cb 1.17 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 3lr9 h GLU 52 CO 0.64 0.37 0.37 0.00 -0.73 0.00 0.00 179.01 179.66 3lr9 h ALA 53 N 1.65 0.80 -0.56 2.92 0.00 -1.99 0.15 119.26 122.23 3lr9 h ALA 53 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3lr9 h ALA 53 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3lr9 h ALA 53 CO 0.02 0.09 -0.05 0.93 0.00 0.00 0.00 179.25 180.25 3lr9 h GLU 54 N 0.72 1.01 -0.26 0.00 5.08 -1.83 -1.07 114.58 118.22 3lr9 h GLU 54 Ca 0.25 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3lr9 h GLU 54 Cb 0.05 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3lr9 h GLU 54 CO -0.12 1.02 0.17 0.52 -1.00 0.00 0.00 179.01 179.61 3lr9 h MET 55 N 0.91 0.35 -0.35 2.33 2.86 -0.75 -1.77 114.93 118.52 3lr9 h MET 55 Ca 0.16 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3lr9 h MET 55 Cb 0.60 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3lr9 h MET 55 CO 0.04 0.23 0.07 -0.22 1.06 0.00 0.00 176.91 178.09 3lr9 h LYS 56 N 0.36 0.52 -0.00 1.72 1.63 -0.50 -2.46 116.57 117.83 3lr9 h LYS 56 Ca 0.10 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3lr9 h LYS 56 Cb -0.04 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3lr9 h LYS 56 CO -0.02 0.49 -0.12 0.00 -3.45 0.00 0.00 179.45 176.36 3lr9 n ALA 57 N -2.48 2.76 -2.62 5.00 0.00 -0.42 -4.83 120.51 117.92 3lr9 n ALA 57 Ca 0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 3lr9 n ALA 57 Cb 0.19 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 3lr9 n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3lr9 s SER 58 N -2.52 6.77 0.31 0.00 0.15 -0.69 -4.89 113.70 112.83 3lr9 s SER 58 Ca 0.28 0.75 0.15 0.00 0.70 0.00 0.00 55.95 57.82 3lr9 s SER 58 Cb 0.20 -2.52 0.41 0.00 -1.71 0.00 0.00 66.02 62.40 3lr9 s SER 58 CO 0.48 -0.96 1.61 -0.33 1.20 0.00 0.00 173.24 175.25 3lr9 h GLU 59 N 8.49 0.00 -0.06 5.44 4.39 -1.88 -3.00 114.58 127.96 3lr9 h GLU 59 Ca -0.22 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.33 3lr9 h GLU 59 Cb 1.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3lr9 h GLU 59 CO 1.04 0.51 -0.65 0.22 -1.16 0.00 0.00 179.01 178.97 3lr9 h ASP 60 N 0.00 0.29 -0.74 1.42 3.58 -1.96 -1.54 116.42 117.47 3lr9 h ASP 60 Ca -0.01 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 3lr9 h ASP 60 Cb 1.12 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.05 3lr9 h ASP 60 CO 0.07 0.85 0.27 0.25 -2.88 0.00 0.00 179.24 177.80 3lr9 h LEU 61 N 0.18 1.04 -0.54 2.28 6.46 -1.86 0.25 115.31 123.12 3lr9 h LEU 61 Ca -0.01 -0.19 -0.05 0.00 -0.12 0.00 0.00 57.88 57.51 3lr9 h LEU 61 Cb 1.17 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 3lr9 h LEU 61 CO 0.10 0.94 0.12 0.11 -0.62 0.00 0.00 178.44 179.09 3lr9 h LYS 62 N 1.07 0.87 -0.23 1.25 1.57 -1.40 -0.44 116.57 119.25 3lr9 h LYS 62 Ca 0.24 -0.21 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3lr9 h LYS 62 Cb 0.24 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 3lr9 h LYS 62 CO -0.02 0.82 -0.00 -0.22 -0.57 0.00 0.00 179.45 179.46 3lr9 h LYS 63 N 0.76 0.06 -0.37 3.15 3.64 -0.96 -1.01 116.57 121.84 3lr9 h LYS 63 Ca 0.17 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.49 3lr9 h LYS 63 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3lr9 h LYS 63 CO 0.00 0.04 0.01 1.25 -2.27 0.00 0.00 179.45 178.48 3lr9 h HIS 64 N 0.07 0.61 -0.98 1.91 2.76 -0.70 -1.98 115.15 116.83 3lr9 h HIS 64 Ca 0.11 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 3lr9 h HIS 64 Cb 0.14 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.88 3lr9 h HIS 64 CO -0.19 0.58 0.65 0.78 -1.30 0.00 0.00 177.93 178.45 3lr9 h GLY 65 N 0.87 1.39 0.98 5.26 0.00 -0.47 0.64 103.07 111.73 3lr9 h GLY 65 Ca 0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3lr9 h GLY 65 CO 0.01 0.49 0.24 -0.84 0.00 0.00 0.00 176.54 176.43 3lr9 h THR 66 N 1.31 1.21 -0.33 4.70 2.02 -0.65 -1.67 112.91 119.50 3lr9 h THR 66 Ca 0.36 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3lr9 h THR 66 Cb -0.12 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3lr9 h THR 66 CO -0.09 0.25 0.20 0.58 0.37 0.00 0.00 175.52 176.84 3lr9 h VAL 67 N 0.75 1.11 0.19 3.16 2.07 -0.60 -1.07 116.25 121.85 3lr9 h VAL 67 Ca 0.19 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3lr9 h VAL 67 Cb 0.17 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3lr9 h VAL 67 CO -0.02 0.11 -0.09 0.58 0.02 0.00 0.00 177.57 178.17 3lr9 h VAL 68 N 0.43 0.89 0.00 2.57 2.07 -0.77 -2.08 116.25 119.37 3lr9 h VAL 68 Ca 0.12 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 3lr9 h VAL 68 Cb 0.00 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3lr9 h VAL 68 CO -0.02 0.09 -0.43 -0.07 0.02 0.00 0.00 177.57 177.15 3lr9 h LEU 69 N -0.44 0.00 -0.61 2.57 3.38 -1.33 -1.28 115.31 117.61 3lr9 h LEU 69 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3lr9 h LEU 69 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3lr9 h LEU 69 CO 0.04 0.43 0.24 0.74 0.09 0.00 0.00 178.44 179.99 3lr9 h THR 70 N 0.00 1.23 -0.16 0.22 2.02 -1.12 0.22 112.91 115.32 3lr9 h THR 70 Ca -0.00 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3lr9 h THR 70 Cb 0.84 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3lr9 h THR 70 CO 0.06 0.28 0.05 0.00 0.37 0.00 0.00 175.52 176.28 3lr9 h ALA 71 N 1.09 0.20 -0.87 6.16 0.00 -0.93 -2.00 119.26 122.91 3lr9 h ALA 71 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3lr9 h ALA 71 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3lr9 h ALA 71 CO -0.02 -0.18 0.56 1.25 0.00 0.00 0.00 179.25 180.87 3lr9 h LEU 72 N 0.07 1.02 -0.67 0.00 5.85 -1.15 -2.13 115.31 118.30 3lr9 h LEU 72 Ca 0.05 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3lr9 h LEU 72 Cb 0.23 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3lr9 h LEU 72 CO -0.00 0.76 0.43 1.23 -0.34 0.00 0.00 178.44 180.51 3lr9 h GLY 73 N 1.19 0.95 1.01 3.75 0.00 -0.78 -0.22 103.07 108.97 3lr9 h GLY 73 Ca 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3lr9 h GLY 73 CO -0.07 0.36 0.52 -1.33 0.00 0.00 0.00 176.54 176.03 3lr9 h GLY 74 N 0.91 1.15 0.91 4.60 0.00 -0.94 -1.77 103.07 107.93 3lr9 h GLY 74 Ca 0.24 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3lr9 h GLY 74 CO -0.05 0.43 0.10 -2.22 0.00 0.00 0.00 176.54 174.81 3lr9 h ILE 75 N 1.10 1.16 -0.54 2.60 2.04 -0.85 -3.05 117.51 119.97 3lr9 h ILE 75 Ca 0.29 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3lr9 h ILE 75 Cb -0.10 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3lr9 h ILE 75 CO -0.06 0.16 0.25 -0.07 0.00 0.00 0.00 178.15 178.42 3lr9 h LEU 76 N 0.24 0.68 0.00 1.44 3.38 -0.71 -1.48 115.31 118.86 3lr9 h LEU 76 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3lr9 h LEU 76 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3lr9 h LEU 76 CO -0.01 0.59 0.00 0.29 0.09 0.00 0.00 178.44 179.40 3lr9 n LYS 77 N -4.37 0.21 0.00 1.13 5.02 -0.70 -1.33 118.16 118.13 3lr9 n LYS 77 Ca 0.05 0.12 0.13 0.00 -2.02 0.00 0.00 58.31 56.59 3lr9 n LYS 77 Cb 0.13 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.11 3lr9 n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3lr9 n LYS 78 N -1.33 0.11 -3.83 1.97 4.76 -0.56 -4.95 118.16 114.32 3lr9 n LYS 78 Ca 0.08 -0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.24 3lr9 n LYS 78 Cb 0.17 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 31.87 3lr9 n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3lr9 n LYS 79 N -1.41 -4.30 0.00 1.97 5.02 -0.44 -1.57 118.16 117.43 3lr9 n LYS 79 Ca 0.08 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 3lr9 n LYS 79 Cb 0.33 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 3lr9 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lr9 n GLY 80 N -1.73 2.45 2.64 0.72 0.00 -1.26 -4.93 105.19 103.08 3lr9 n GLY 80 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 3lr9 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3lr9 n HIS 81 N -2.00 2.67 -1.17 1.61 8.25 -0.61 -4.64 115.22 119.34 3lr9 n HIS 81 Ca 0.00 -2.76 0.09 0.00 -0.26 0.00 0.00 57.72 54.78 3lr9 n HIS 81 Cb 0.00 -1.75 0.12 0.00 1.12 0.00 0.00 29.99 29.48 3lr9 n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3lr9 n HIS 82 N 2.09 0.00 -0.16 4.41 1.44 -1.26 -4.81 115.22 116.93 3lr9 n HIS 82 Ca 0.52 -0.89 -0.03 0.00 -2.01 0.00 0.00 57.72 55.32 3lr9 n HIS 82 Cb 0.29 -0.14 0.04 0.00 0.12 0.00 0.00 29.99 30.30 3lr9 n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3lr9 h GLU 83 N 0.00 0.02 -0.39 -1.40 4.57 -1.99 0.14 114.58 115.53 3lr9 h GLU 83 Ca 0.00 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3lr9 h GLU 83 Cb 1.05 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 3lr9 h GLU 83 CO 0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 179.01 177.78 3lr9 h ALA 84 N 1.50 1.17 0.10 2.92 0.00 -2.00 -0.28 119.26 122.65 3lr9 h ALA 84 Ca 0.25 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3lr9 h ALA 84 Cb 0.38 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3lr9 h ALA 84 CO -0.50 0.54 -1.17 0.93 0.00 0.00 0.00 179.25 179.04 3lr9 h GLU 85 N 0.61 0.44 0.18 0.00 3.07 -1.78 -3.36 114.58 113.74 3lr9 h GLU 85 Ca 0.12 -0.61 -0.30 0.00 -0.50 0.00 0.00 59.36 58.06 3lr9 h GLU 85 Cb 0.47 0.20 0.02 0.00 -0.84 0.00 0.00 28.75 28.60 3lr9 h GLU 85 CO 0.02 1.25 -1.38 1.25 -1.40 0.00 0.00 179.01 178.75 3lr9 h LEU 86 N 0.19 0.58 -0.38 1.33 6.46 -0.52 -3.37 115.31 119.60 3lr9 h LEU 86 Ca -0.14 -0.65 0.07 0.00 -0.12 0.00 0.00 57.88 57.04 3lr9 h LEU 86 Cb 1.85 -0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 41.50 3lr9 h LEU 86 CO 0.21 1.51 -0.37 0.50 -0.62 0.00 0.00 178.44 179.67 3lr9 h LYS 87 N 0.10 -0.29 -0.30 1.25 3.64 -1.19 -0.63 116.57 119.15 3lr9 h LYS 87 Ca -0.20 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 3lr9 h LYS 87 Cb 2.06 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.92 3lr9 h LYS 87 CO 0.22 -0.19 0.02 -1.00 -2.27 0.00 0.00 179.45 176.23 3lr9 h PRO 88 N -0.30 0.45 -0.18 1.90 0.13 -1.75 -1.11 132.00 131.14 3lr9 h PRO 88 Ca 0.15 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 65.09 3lr9 h PRO 88 Cb 0.56 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 3lr9 h PRO 88 CO -0.54 0.47 -0.31 -0.07 -0.23 0.00 0.00 178.00 177.32 3lr9 h LEU 89 N 0.44 0.58 -0.79 1.56 3.38 -1.55 -0.49 115.31 118.45 3lr9 h LEU 89 Ca 0.10 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3lr9 h LEU 89 Cb 0.26 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3lr9 h LEU 89 CO 0.01 1.01 0.48 0.00 0.09 0.00 0.00 178.44 180.02 3lr9 h ALA 90 N 0.59 1.08 -0.25 1.53 0.00 -0.88 -0.93 119.26 120.39 3lr9 h ALA 90 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3lr9 h ALA 90 Cb 0.90 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3lr9 h ALA 90 CO 0.07 0.20 -0.17 1.96 0.00 0.00 0.00 179.25 181.30 3lr9 h GLN 91 N 0.87 0.56 -0.41 0.00 4.20 -1.08 -1.19 115.11 118.06 3lr9 h GLN 91 Ca 0.35 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.66 3lr9 h GLN 91 Cb 0.18 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 3lr9 h GLN 91 CO -0.18 0.84 -0.25 0.66 -0.67 0.00 0.00 178.83 179.23 3lr9 h SER 92 N 0.28 0.88 0.41 1.46 4.64 -0.98 0.37 113.55 120.61 3lr9 h SER 92 Ca 0.05 -0.34 -0.16 0.00 -0.47 0.00 0.00 61.79 60.87 3lr9 h SER 92 Cb 0.70 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3lr9 h SER 92 CO 0.05 1.09 -0.69 0.45 -0.87 0.00 0.00 176.83 176.86 3lr9 h HIS 93 N 0.74 0.33 0.01 4.77 3.86 -1.13 0.16 115.15 123.87 3lr9 h HIS 93 Ca 0.09 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 3lr9 h HIS 93 Cb 0.80 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.22 3lr9 h HIS 93 CO 0.05 0.85 -0.16 0.00 0.86 0.00 0.00 177.93 179.53 3lr9 h ALA 94 N 1.11 0.01 0.13 2.45 0.00 -1.16 0.25 119.26 122.05 3lr9 h ALA 94 Ca -0.02 -0.46 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 3lr9 h ALA 94 Cb 1.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3lr9 h ALA 94 CO 0.11 0.03 -1.74 1.79 0.00 0.00 0.00 179.25 179.43 3lr9 h THR 95 N -0.65 0.83 0.00 0.00 1.35 -0.96 -3.27 112.91 110.21 3lr9 h THR 95 Ca -0.02 -2.39 -0.25 0.00 -0.55 0.00 0.00 66.41 63.20 3lr9 h THR 95 Cb 0.97 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 69.96 3lr9 h THR 95 CO 0.03 0.81 -1.45 1.17 -0.25 0.00 0.00 175.52 175.82 3lr9 n LYS 96 N -3.68 0.55 0.15 4.72 4.81 -0.27 -4.54 118.16 119.90 3lr9 n LYS 96 Ca -0.28 0.48 0.12 0.00 -0.87 0.00 0.00 58.31 57.76 3lr9 n LYS 96 Cb 1.00 -1.67 0.08 0.00 0.02 0.00 0.00 35.03 34.46 3lr9 n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3lr9 h HIS 97 N -1.00 0.00 -5.63 5.64 3.86 -1.14 -3.49 115.15 113.39 3lr9 h HIS 97 Ca -0.37 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.53 3lr9 h HIS 97 Cb 1.26 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.90 3lr9 h HIS 97 CO -0.01 0.00 -0.81 1.63 0.86 0.00 0.00 177.93 179.59 3lr9 n LYS 98 N -2.83 -4.69 -3.40 2.45 4.76 -0.36 -4.98 118.16 109.10 3lr9 n LYS 98 Ca 0.02 0.82 -0.43 0.00 -2.87 0.00 0.00 58.31 55.85 3lr9 n LYS 98 Cb 0.54 -5.74 -0.09 0.00 -1.84 0.00 0.00 35.03 27.90 3lr9 n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3lr9 s ILE 99 N -3.40 5.20 0.59 -0.18 -1.09 0.75 -5.01 121.20 118.06 3lr9 s ILE 99 Ca 0.18 -0.68 -0.20 0.00 -2.23 0.00 0.00 60.65 57.73 3lr9 s ILE 99 Cb -0.03 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 3lr9 s ILE 99 CO 0.75 -0.41 1.24 -2.65 -1.23 0.00 0.00 174.94 172.63 3lr9 n PRO 100 N 5.30 1.30 0.24 2.79 -0.02 -1.26 -4.68 135.00 138.67 3lr9 n PRO 100 Ca -0.10 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3lr9 n PRO 100 Cb 0.46 -2.45 0.81 0.00 -0.02 0.00 0.00 33.50 32.30 3lr9 n PRO 100 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3lr9 h ILE 101 N 0.92 0.65 -0.69 4.25 6.09 -1.94 -0.05 117.51 126.74 3lr9 h ILE 101 Ca -0.50 0.00 0.09 0.00 -1.37 0.00 0.00 64.86 63.08 3lr9 h ILE 101 Cb 1.33 0.94 -0.04 0.00 0.47 0.00 0.00 36.82 39.51 3lr9 h ILE 101 CO 0.54 0.00 0.46 0.50 -3.07 0.00 0.00 178.15 176.58 3lr9 h LYS 102 N 0.00 0.59 0.00 2.19 1.63 -2.00 -0.62 116.57 118.36 3lr9 h LYS 102 Ca 0.04 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3lr9 h LYS 102 Cb 0.21 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3lr9 h LYS 102 CO -0.00 0.39 -0.40 1.88 -3.45 0.00 0.00 179.45 177.87 3lr9 h TYR 103 N 0.60 0.00 -0.10 1.91 -1.99 -1.34 -0.94 116.97 115.12 3lr9 h TYR 103 Ca 0.31 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.90 3lr9 h TYR 103 Cb 0.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 3lr9 h TYR 103 CO -0.00 0.40 -0.57 -0.07 -0.00 0.00 0.00 178.16 177.92 3lr9 h LEU 104 N 0.00 0.34 -0.23 3.88 3.38 -1.17 -1.16 115.31 120.35 3lr9 h LEU 104 Ca -0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3lr9 h LEU 104 Cb 0.90 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3lr9 h LEU 104 CO 0.05 0.84 0.14 -0.08 0.09 0.00 0.00 178.44 179.48 3lr9 h GLU 105 N 0.23 0.32 -0.30 1.13 4.81 -0.90 -1.76 114.58 118.12 3lr9 h GLU 105 Ca -0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3lr9 h GLU 105 Cb 1.07 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3lr9 h GLU 105 CO 0.09 0.28 0.09 0.74 -0.73 0.00 0.00 179.01 179.48 3lr9 h PHE 106 N 0.28 0.16 0.00 0.92 0.04 -0.88 -1.34 116.94 116.12 3lr9 h PHE 106 Ca 0.08 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 3lr9 h PHE 106 Cb 0.04 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3lr9 h PHE 106 CO -0.04 0.06 -0.39 0.97 -0.60 0.00 0.00 178.31 178.31 3lr9 h ILE 107 N 0.21 1.12 -0.23 -0.55 2.10 -1.15 -0.50 117.51 118.52 3lr9 h ILE 107 Ca 0.13 -1.43 -0.04 0.00 1.08 0.00 0.00 64.86 64.61 3lr9 h ILE 107 Cb 0.12 1.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 3lr9 h ILE 107 CO -0.15 0.39 -0.01 0.28 -1.08 0.00 0.00 178.15 177.58 3lr9 h SER 108 N 0.00 0.41 -0.89 2.19 0.02 -0.80 -1.57 113.55 112.91 3lr9 h SER 108 Ca -0.00 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3lr9 h SER 108 Cb 0.77 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3lr9 h SER 108 CO 0.05 0.63 0.54 0.44 -1.14 0.00 0.00 176.83 177.35 3lr9 h ASP 109 N 0.18 1.07 -0.73 3.07 3.32 -0.97 -2.44 116.42 119.91 3lr9 h ASP 109 Ca 0.06 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3lr9 h ASP 109 Cb 0.43 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3lr9 h ASP 109 CO 0.01 0.81 0.33 0.00 -1.72 0.00 0.00 179.24 178.68 3lr9 h ALA 110 N 1.37 1.18 -0.30 3.45 0.00 -0.80 -1.44 119.26 122.72 3lr9 h ALA 110 Ca 0.32 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3lr9 h ALA 110 Cb -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3lr9 h ALA 110 CO -0.06 0.61 0.17 0.82 0.00 0.00 0.00 179.25 180.79 3lr9 h ILE 111 N 1.06 1.12 -0.60 0.00 2.04 -0.84 0.04 117.51 120.33 3lr9 h ILE 111 Ca 0.25 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3lr9 h ILE 111 Cb 0.15 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 3lr9 h ILE 111 CO -0.03 0.12 0.39 0.40 0.00 0.00 0.00 178.15 179.03 3lr9 h ILE 112 N 0.37 1.12 -0.38 -0.67 1.08 -1.21 -1.33 117.51 116.48 3lr9 h ILE 112 Ca 0.10 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 3lr9 h ILE 112 Cb 0.04 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 3lr9 h ILE 112 CO -0.02 0.14 0.17 -0.74 -0.69 0.00 0.00 178.15 177.02 3lr9 h HIS 113 N 0.78 0.56 -0.66 1.37 2.76 -0.97 -2.51 115.15 116.47 3lr9 h HIS 113 Ca 0.23 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3lr9 h HIS 113 Cb -0.04 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 3lr9 h HIS 113 CO -0.04 0.48 0.17 0.28 -1.30 0.00 0.00 177.93 177.51 3lr9 h VAL 114 N 0.47 1.25 -0.39 5.26 2.07 -0.78 0.36 116.25 124.50 3lr9 h VAL 114 Ca 0.13 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3lr9 h VAL 114 Cb 0.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3lr9 h VAL 114 CO -0.01 0.35 0.25 -0.07 0.02 0.00 0.00 177.57 178.11 3lr9 h LEU 115 N 1.00 0.45 -0.89 2.57 3.38 -1.07 0.93 115.31 121.68 3lr9 h LEU 115 Ca 0.21 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3lr9 h LEU 115 Cb 0.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3lr9 h LEU 115 CO -0.00 0.34 0.05 0.45 0.09 0.00 0.00 178.44 179.37 3lr9 h HIS 116 N 0.52 0.92 -0.33 1.13 3.86 -1.10 -1.00 115.15 119.15 3lr9 h HIS 116 Ca 0.14 -0.12 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 3lr9 h HIS 116 Cb -0.04 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3lr9 h HIS 116 CO -0.05 0.81 -0.40 1.03 0.86 0.00 0.00 177.93 180.19 3lr9 h SER 117 N 0.82 0.86 1.26 2.45 0.87 -0.31 -1.93 113.55 117.58 3lr9 h SER 117 Ca 0.17 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 3lr9 h SER 117 Cb 0.41 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3lr9 h SER 117 CO 0.01 1.15 -0.54 0.11 -0.53 0.00 0.00 176.83 177.04 3lr9 h LYS 118 N 0.66 0.00 -1.47 2.24 1.57 -0.81 -3.38 116.57 115.37 3lr9 h LYS 118 Ca 0.05 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.39 3lr9 h LYS 118 Cb 0.97 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.87 3lr9 h LYS 118 CO 0.09 0.00 -1.11 0.72 -0.57 0.00 0.00 179.45 178.58 3lr9 n HIS 119 N -2.58 1.27 -1.88 -1.35 8.25 -0.39 -5.09 115.22 113.46 3lr9 n HIS 119 Ca 0.03 -3.24 -0.42 0.00 -0.26 0.00 0.00 57.72 53.82 3lr9 n HIS 119 Cb 0.50 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 3lr9 n HIS 119 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3lr9 s PRO 120 N -2.96 4.19 0.00 -0.41 0.04 -0.74 -0.98 135.00 134.14 3lr9 s PRO 120 Ca 0.35 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.82 3lr9 s PRO 120 Cb 0.41 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3lr9 s PRO 120 CO -0.04 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.77 3lr9 n GLY 121 N 3.78 2.00 0.19 0.56 0.00 -1.26 -4.84 105.19 105.63 3lr9 n GLY 121 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 3lr9 n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3lr9 n ASP 122 N 0.00 2.58 -3.63 1.61 2.03 -0.15 -4.80 116.55 114.19 3lr9 n ASP 122 Ca 0.00 -3.06 -0.28 0.00 0.52 0.00 0.00 54.79 51.96 3lr9 n ASP 122 Cb 0.00 -0.44 -0.12 0.00 -0.72 0.00 0.00 41.12 39.84 3lr9 n ASP 122 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3lr9 s PHE 123 N -2.85 2.01 0.97 -0.67 5.36 -1.21 -5.02 117.98 116.56 3lr9 s PHE 123 Ca 0.33 -2.58 -0.12 0.00 -0.96 0.00 0.00 56.93 53.60 3lr9 s PHE 123 Cb 0.29 -1.70 0.17 0.00 -0.34 0.00 0.00 43.02 41.43 3lr9 s PHE 123 CO 0.04 -0.74 1.09 0.20 -1.46 0.00 0.00 175.22 174.35 3lr9 s GLY 124 N -0.18 1.59 0.22 13.12 0.00 -1.26 -4.64 107.32 116.17 3lr9 s GLY 124 Ca 0.25 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 44.71 3lr9 s GLY 124 CO -0.11 0.38 1.86 0.00 0.00 0.00 0.00 173.10 175.24 3lr9 h ALA 125 N -1.81 1.03 -0.61 3.20 0.00 -2.00 0.66 119.26 119.73 3lr9 h ALA 125 Ca -0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3lr9 h ALA 125 Cb 1.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3lr9 h ALA 125 CO 0.55 0.31 0.27 0.38 0.00 0.00 0.00 179.25 180.76 3lr9 h ASP 126 N 0.97 0.81 -0.51 0.00 3.04 -1.99 -1.83 116.42 116.91 3lr9 h ASP 126 Ca 0.31 -0.15 -0.04 0.00 -3.24 0.00 0.00 57.03 53.92 3lr9 h ASP 126 Cb 0.01 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.07 3lr9 h ASP 126 CO -0.11 0.73 0.17 0.00 -2.04 0.00 0.00 179.24 177.99 3lr9 h ALA 127 N 1.11 0.66 -0.65 4.15 0.00 -1.67 -1.07 119.26 121.79 3lr9 h ALA 127 Ca 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3lr9 h ALA 127 Cb 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3lr9 h ALA 127 CO -0.02 0.31 0.36 0.37 0.00 0.00 0.00 179.25 180.26 3lr9 h GLN 128 N 0.69 0.90 -0.30 0.00 4.15 -0.84 -0.19 115.11 119.52 3lr9 h GLN 128 Ca 0.16 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.51 3lr9 h GLN 128 Cb 0.26 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 3lr9 h GLN 128 CO -0.01 0.68 0.11 0.78 -1.93 0.00 0.00 178.83 178.46 3lr9 h GLY 129 N 0.88 0.38 0.78 2.39 0.00 -1.01 -0.06 103.07 106.43 3lr9 h GLY 129 Ca 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3lr9 h GLY 129 CO -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 176.54 176.51 3lr9 h ALA 130 N 1.19 0.23 -0.75 3.60 0.00 -0.94 -1.56 119.26 121.03 3lr9 h ALA 130 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3lr9 h ALA 130 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3lr9 h ALA 130 CO -0.14 -0.03 0.37 1.98 0.00 0.00 0.00 179.25 181.43 3lr9 h MET 131 N 0.03 1.06 -0.31 0.00 1.85 -0.96 -1.21 114.93 115.39 3lr9 h MET 131 Ca 0.04 -0.14 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 3lr9 h MET 131 Cb 0.44 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3lr9 h MET 131 CO 0.01 0.81 0.15 1.15 -0.40 0.00 0.00 176.91 178.63 3lr9 h THR 132 N 1.06 1.16 -0.86 -0.77 2.02 -0.88 -1.03 112.91 113.61 3lr9 h THR 132 Ca 0.26 -0.45 0.07 0.00 0.77 0.00 0.00 66.41 67.06 3lr9 h THR 132 Cb 0.09 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 3lr9 h THR 132 CO -0.04 0.16 0.53 0.11 0.37 0.00 0.00 175.52 176.66 3lr9 h LYS 133 N 0.37 0.91 -0.56 6.66 1.57 -0.88 -0.18 116.57 124.47 3lr9 h LYS 133 Ca 0.11 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3lr9 h LYS 133 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3lr9 h LYS 133 CO -0.01 0.60 0.09 0.00 -0.57 0.00 0.00 179.45 179.56 3lr9 h ALA 134 N 1.42 0.74 -0.15 3.86 0.00 -0.82 -0.88 119.26 123.44 3lr9 h ALA 134 Ca 0.39 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3lr9 h ALA 134 Cb 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3lr9 h ALA 134 CO -0.19 0.48 -0.43 -0.07 0.00 0.00 0.00 179.25 179.04 3lr9 h LEU 135 N 0.81 0.36 -0.52 0.00 3.38 -0.88 -1.70 115.31 116.76 3lr9 h LEU 135 Ca 0.17 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3lr9 h LEU 135 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3lr9 h LEU 135 CO 0.01 0.75 -0.34 -0.33 0.09 0.00 0.00 178.44 178.62 3lr9 h GLU 136 N 0.28 0.84 -0.31 1.13 5.08 -0.83 -0.86 114.58 119.91 3lr9 h GLU 136 Ca 0.02 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3lr9 h GLU 136 Cb 0.87 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3lr9 h GLU 136 CO 0.07 1.05 0.14 1.25 -1.00 0.00 0.00 179.01 180.52 3lr9 h LEU 137 N 0.70 0.42 -0.01 1.33 5.85 -0.89 0.26 115.31 122.96 3lr9 h LEU 137 Ca 0.07 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3lr9 h LEU 137 Cb 0.90 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3lr9 h LEU 137 CO 0.08 0.44 -0.25 0.15 -0.34 0.00 0.00 178.44 178.52 3lr9 h PHE 138 N 0.37 -0.67 -0.79 1.25 3.57 -1.25 -0.37 116.94 119.04 3lr9 h PHE 138 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3lr9 h PHE 138 Cb 0.14 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3lr9 h PHE 138 CO -0.01 -0.34 0.45 -0.09 -2.23 0.00 0.00 178.31 176.09 3lr9 h ARG 139 N -0.38 1.09 -0.50 1.11 2.43 -0.94 -1.53 114.38 115.65 3lr9 h ARG 139 Ca 0.07 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3lr9 h ARG 139 Cb 0.47 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3lr9 h ARG 139 CO -0.23 0.80 0.13 -0.97 -1.51 0.00 0.00 179.97 178.18 3lr9 h ASN 140 N 1.09 0.76 -0.09 -3.80 -1.24 -0.20 0.11 115.58 112.21 3lr9 h ASN 140 Ca 0.28 -0.23 -0.12 0.00 0.71 0.00 0.00 56.30 56.94 3lr9 h ASN 140 Cb 0.00 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 3lr9 h ASN 140 CO -0.05 0.79 -0.35 0.44 -1.29 0.00 0.00 177.43 176.98 3lr9 h ASP 141 N 0.70 0.62 -0.46 1.15 3.32 -0.90 -1.68 116.42 119.16 3lr9 h ASP 141 Ca 0.16 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3lr9 h ASP 141 Cb 0.33 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3lr9 h ASP 141 CO 0.00 0.92 0.20 0.40 -1.72 0.00 0.00 179.24 179.04 3lr9 h ILE 142 N 0.50 1.20 -0.68 0.35 2.04 -1.12 -2.87 117.51 116.92 3lr9 h ILE 142 Ca 0.05 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.37 3lr9 h ILE 142 Cb 0.84 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 3lr9 h ILE 142 CO 0.07 0.22 0.45 0.00 0.00 0.00 0.00 178.15 178.90 3lr9 h ALA 143 N 1.04 1.67 -0.66 1.87 0.00 -0.41 0.01 119.26 122.77 3lr9 h ALA 143 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3lr9 h ALA 143 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3lr9 h ALA 143 CO -0.02 0.25 0.15 0.00 0.00 0.00 0.00 179.25 179.63 3lr9 h ALA 144 N 1.61 0.88 -0.36 0.00 0.00 -1.11 -0.56 119.26 119.72 3lr9 h ALA 144 Ca 0.28 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3lr9 h ALA 144 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3lr9 h ALA 144 CO -0.09 0.61 -0.25 0.87 0.00 0.00 0.00 179.25 180.39 3lr9 h LYS 145 N 1.00 0.74 -0.66 0.00 1.79 -1.10 -2.02 116.57 116.32 3lr9 h LYS 145 Ca 0.21 -0.31 0.02 0.00 -2.18 0.00 0.00 60.65 58.39 3lr9 h LYS 145 Cb 0.39 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 3lr9 h LYS 145 CO 0.01 0.92 0.43 1.88 -1.08 0.00 0.00 179.45 181.60 3lr9 h TYR 146 N 0.64 0.80 -0.60 -1.35 -1.99 -0.69 -2.13 116.97 111.65 3lr9 h TYR 146 Ca 0.08 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.75 3lr9 h TYR 146 Cb 0.76 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.20 3lr9 h TYR 146 CO 0.04 0.48 0.04 -0.22 -0.00 0.00 0.00 178.16 178.49 3lr9 h LYS 147 N 0.85 1.02 -0.80 4.88 3.64 -0.87 -0.01 116.57 125.28 3lr9 h LYS 147 Ca 0.26 -0.30 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3lr9 h LYS 147 Cb -0.03 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.59 3lr9 h LYS 147 CO -0.08 0.98 0.38 1.49 -2.27 0.00 0.00 179.45 179.95 3lr9 h GLU 148 N 0.95 0.55 -0.00 1.90 4.81 -1.00 -1.46 114.58 120.33 3lr9 h GLU 148 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3lr9 h GLU 148 Cb 0.50 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3lr9 h GLU 148 CO 0.02 0.36 -0.18 1.28 -0.73 0.00 0.00 179.01 179.77 3lr9 n LEU 149 N -4.91 0.62 -1.22 1.64 4.77 -0.80 -4.91 117.00 112.19 3lr9 n LEU 149 Ca 0.15 -0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3lr9 n LEU 149 Cb 0.40 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3lr9 n LEU 149 CO 0.21 0.12 -0.14 0.61 -1.33 0.00 0.00 177.39 176.86 3lr9 n GLY 150 N 1.33 0.47 3.78 -0.72 0.00 -0.15 -4.97 105.19 104.93 3lr9 n GLY 150 Ca 0.13 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3lr9 n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3lr9 s PHE 151 N -2.55 3.76 0.00 1.61 5.36 -0.40 -5.01 117.98 120.74 3lr9 s PHE 151 Ca 0.00 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 3lr9 s PHE 151 Cb 0.00 -2.57 0.00 0.00 -0.34 0.00 0.00 43.02 40.11 3lr9 s PHE 151 CO 0.00 0.47 0.22 1.04 -1.46 0.00 0.00 175.22 175.48