#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj0 n ARG 3 N 0.00 0.77 -2.89 1.43 3.00 -1.26 -4.85 116.66 112.86 1bj0 n ARG 3 Ca 0.00 0.04 -0.43 0.00 -0.00 0.00 0.00 57.85 57.46 1bj0 n ARG 3 Cb 0.00 -2.78 -0.05 0.00 0.00 0.00 0.00 32.46 29.64 1bj0 n ARG 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1bj0 s LEU 4 N 10.67 4.20 0.22 6.15 1.43 -1.26 -4.56 118.68 135.54 1bj0 s LEU 4 Ca 1.10 -0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 53.68 1bj0 s LEU 4 Cb -0.56 -2.87 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1bj0 s LEU 4 CO 0.35 -1.11 0.76 0.54 0.23 0.00 0.00 176.35 177.13 1bj0 s ASN 5 N 2.61 -0.29 0.23 2.29 4.22 -1.26 -5.03 114.94 117.71 1bj0 s ASN 5 Ca 0.30 -0.45 -0.13 0.00 -2.14 0.00 0.00 52.86 50.44 1bj0 s ASN 5 Cb -0.13 0.64 0.29 0.00 1.28 0.00 0.00 41.25 43.34 1bj0 s ASN 5 CO 0.20 -1.16 1.59 -0.09 -2.04 0.00 0.00 177.10 175.60 1bj0 h ARG 6 N 2.00 -0.02 0.33 3.55 2.43 -1.99 0.03 114.38 120.71 1bj0 h ARG 6 Ca -0.22 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.95 1bj0 h ARG 6 Cb 1.25 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 1bj0 h ARG 6 CO 0.26 -0.02 -0.49 1.49 -1.51 0.00 0.00 179.97 179.71 1bj0 h GLU 7 N -0.03 -0.83 -0.40 0.20 4.22 -1.96 -0.36 114.58 115.42 1bj0 h GLU 7 Ca 0.36 0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.85 1bj0 h GLU 7 Cb 0.58 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1bj0 h GLU 7 CO -0.81 -0.56 0.23 0.77 -2.18 0.00 0.00 179.01 176.47 1bj0 h SER 8 N -0.87 0.48 -0.10 1.04 0.02 -1.65 -0.88 113.55 111.59 1bj0 h SER 8 Ca -0.03 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1bj0 h SER 8 Cb 0.80 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 1bj0 h SER 8 CO -0.15 0.41 -0.24 0.58 -1.14 0.00 0.00 176.83 176.29 1bj0 h VAL 9 N 0.52 0.43 -0.44 2.27 2.07 -0.81 0.63 116.25 120.92 1bj0 h VAL 9 Ca 0.14 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.60 1bj0 h VAL 9 Cb 0.02 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1bj0 h VAL 9 CO -0.03 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.01 1bj0 h ILE 10 N -0.32 1.25 -0.65 4.57 2.04 -0.92 0.16 117.51 123.65 1bj0 h ILE 10 Ca 0.09 -0.95 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1bj0 h ILE 10 Cb 0.45 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1bj0 h ILE 10 CO -0.29 0.33 0.37 0.44 0.00 0.00 0.00 178.15 179.01 1bj0 h ASP 11 N 0.60 0.57 0.14 1.72 3.32 -0.80 0.35 116.42 122.33 1bj0 h ASP 11 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1bj0 h ASP 11 Cb 0.42 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1bj0 h ASP 11 CO 0.01 0.38 -0.07 0.00 -1.72 0.00 0.00 179.24 177.85 1bj0 h ALA 12 N 1.32 -0.18 -0.25 3.45 0.00 -0.59 -1.70 119.26 121.30 1bj0 h ALA 12 Ca 0.28 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1bj0 h ALA 12 Cb 0.12 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1bj0 h ALA 12 CO -0.15 -0.52 -0.18 0.00 0.00 0.00 0.00 179.25 178.39 1bj0 h ALA 13 N 0.49 -0.02 -0.20 0.00 0.00 -0.11 0.11 119.26 119.54 1bj0 h ALA 13 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1bj0 h ALA 13 Cb 0.28 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1bj0 h ALA 13 CO 0.03 -0.60 0.06 -0.07 0.00 0.00 0.00 179.25 178.67 1bj0 h LEU 14 N -0.17 0.05 -1.45 0.00 3.38 -0.93 0.17 115.31 116.36 1bj0 h LEU 14 Ca 0.14 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.24 1bj0 h LEU 14 Cb 0.39 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1bj0 h LEU 14 CO -0.36 0.06 0.49 -0.08 0.09 0.00 0.00 178.44 178.64 1bj0 h GLU 15 N 0.15 0.59 -0.05 1.13 4.81 -0.61 -1.22 114.58 119.38 1bj0 h GLU 15 Ca 0.09 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1bj0 h GLU 15 Cb 0.07 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1bj0 h GLU 15 CO -0.10 0.39 -0.71 1.25 -0.73 0.00 0.00 179.01 179.11 1bj0 h LEU 16 N 0.61 0.72 -0.74 1.64 5.85 0.07 -3.21 115.31 120.25 1bj0 h LEU 16 Ca 0.34 -0.70 0.16 0.00 0.84 0.00 0.00 57.88 58.52 1bj0 h LEU 16 Cb 0.52 -0.22 -0.11 0.00 0.37 0.00 0.00 40.66 41.23 1bj0 h LEU 16 CO -0.12 1.32 0.21 0.25 -0.34 0.00 0.00 178.44 179.75 1bj0 h LEU 17 N 0.19 0.07 -1.46 2.25 5.85 0.49 0.24 115.31 122.94 1bj0 h LEU 17 Ca -0.07 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1bj0 h LEU 17 Cb 1.38 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 1bj0 h LEU 17 CO 0.14 -0.01 -0.09 0.78 -0.34 0.00 0.00 178.44 178.92 1bj0 h ASN 18 N 0.30 0.22 -0.06 1.25 2.35 -1.44 0.38 115.58 118.58 1bj0 h ASN 18 Ca 0.42 -0.04 -0.24 0.00 -0.55 0.00 0.00 56.30 55.89 1bj0 h ASN 18 Cb 0.71 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.03 1bj0 h ASN 18 CO -0.49 0.35 -0.89 -0.33 -1.65 0.00 0.00 177.43 174.41 1bj0 h GLU 19 N 0.23 0.74 0.00 0.81 5.08 -0.59 -3.41 114.58 117.45 1bj0 h GLU 19 Ca 0.05 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1bj0 h GLU 19 Cb 0.31 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1bj0 h GLU 19 CO 0.02 1.28 0.00 0.25 -1.00 0.00 0.00 179.01 179.55 1bj0 n THR 20 N -3.89 0.00 -1.23 1.13 -2.24 -0.39 -5.12 114.28 102.53 1bj0 n THR 20 Ca -0.09 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.37 1bj0 n THR 20 Cb 0.81 1.31 -0.00 0.00 -2.10 0.00 0.00 70.33 70.35 1bj0 n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bj0 n GLY 21 N 0.06 -2.19 0.15 3.38 0.00 0.13 -2.73 105.19 104.00 1bj0 n GLY 21 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1bj0 n GLY 21 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bj0 h ILE 22 N -0.06 1.35 0.13 -0.61 2.10 -1.84 -2.89 117.51 115.70 1bj0 h ILE 22 Ca 0.00 -1.96 -0.18 0.00 1.08 0.00 0.00 64.86 63.81 1bj0 h ILE 22 Cb 0.06 2.07 0.02 0.00 -1.09 0.00 0.00 36.82 37.88 1bj0 h ILE 22 CO 0.00 0.55 -0.77 0.44 -1.08 0.00 0.00 178.15 177.29 1bj0 h ASP 23 N 0.00 0.45 0.20 2.19 3.32 -1.98 -3.28 116.42 117.31 1bj0 h ASP 23 Ca -0.01 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 56.09 1bj0 h ASP 23 Cb 1.02 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1bj0 h ASP 23 CO 0.07 1.37 0.00 0.61 -1.72 0.00 0.00 179.24 179.57 1bj0 n GLY 24 N 1.65 -0.76 3.65 2.75 0.00 -1.10 -4.73 105.19 106.65 1bj0 n GLY 24 Ca -0.14 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1bj0 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bj0 s LEU 25 N -2.33 4.09 0.02 0.99 2.96 -1.09 -4.90 118.68 118.41 1bj0 s LEU 25 Ca 0.22 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1bj0 s LEU 25 Cb 0.13 -3.40 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 1bj0 s LEU 25 CO 0.25 -0.62 -0.05 0.42 -1.32 0.00 0.00 176.35 175.03 1bj0 s THR 26 N 3.08 0.34 0.37 3.68 -4.23 -1.26 -5.02 115.64 112.60 1bj0 s THR 26 Ca 0.40 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 60.36 1bj0 s THR 26 Cb -0.15 -0.38 0.32 0.00 1.34 0.00 0.00 72.50 73.63 1bj0 s THR 26 CO 0.07 -0.21 1.90 0.71 -0.54 0.00 0.00 174.62 176.55 1bj0 h THR 27 N 4.77 0.86 -0.10 3.99 1.35 -1.96 -0.94 112.91 120.88 1bj0 h THR 27 Ca -0.31 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1bj0 h THR 27 Cb 1.20 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.74 1bj0 h THR 27 CO 0.45 0.12 -0.13 -0.09 -0.25 0.00 0.00 175.52 175.62 1bj0 h ARG 28 N 0.64 -0.16 0.00 4.72 2.43 -1.99 -0.55 114.38 119.48 1bj0 h ARG 28 Ca 0.41 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.47 1bj0 h ARG 28 Cb 0.67 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1bj0 h ARG 28 CO -0.17 -0.11 -0.55 -0.22 -1.51 0.00 0.00 179.97 177.41 1bj0 h LYS 29 N -0.17 0.00 -0.05 0.20 3.64 -1.60 -2.75 116.57 115.84 1bj0 h LYS 29 Ca 0.08 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1bj0 h LYS 29 Cb 0.28 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1bj0 h LYS 29 CO -0.20 0.55 0.02 1.25 -2.27 0.00 0.00 179.45 178.80 1bj0 h LEU 30 N 0.00 0.07 -0.11 5.20 5.85 -0.81 -1.07 115.31 124.44 1bj0 h LEU 30 Ca -0.01 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1bj0 h LEU 30 Cb 1.06 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1bj0 h LEU 30 CO 0.07 0.26 -0.17 0.00 -0.34 0.00 0.00 178.44 178.26 1bj0 h ALA 31 N 0.82 -0.12 -0.36 1.25 0.00 -1.05 0.08 119.26 119.87 1bj0 h ALA 31 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1bj0 h ALA 31 Cb 0.21 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1bj0 h ALA 31 CO -0.00 -0.63 0.19 1.96 0.00 0.00 0.00 179.25 180.77 1bj0 h GLN 32 N -0.23 0.38 -0.38 0.00 4.20 -1.48 0.54 115.11 118.15 1bj0 h GLN 32 Ca 0.09 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1bj0 h GLN 32 Cb 0.36 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1bj0 h GLN 32 CO -0.25 0.25 0.12 -0.22 -0.67 0.00 0.00 178.83 178.06 1bj0 h LYS 33 N 0.40 0.25 0.00 1.46 3.64 -0.64 0.95 116.57 122.63 1bj0 h LYS 33 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1bj0 h LYS 33 Cb 0.04 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1bj0 h LYS 33 CO -0.09 0.17 0.00 -0.07 -2.27 0.00 0.00 179.45 177.19 1bj0 h LEU 34 N 0.26 0.00 -1.36 5.20 3.38 -0.68 -3.47 115.31 118.64 1bj0 h LEU 34 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1bj0 h LEU 34 Cb 0.17 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.94 1bj0 h LEU 34 CO -0.19 0.00 -0.09 0.61 0.09 0.00 0.00 178.44 178.86 1bj0 n GLY 35 N -0.04 0.60 3.37 0.83 0.00 0.33 -4.66 105.19 105.62 1bj0 n GLY 35 Ca 0.01 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1bj0 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bj0 s ILE 36 N -3.04 0.45 0.23 -0.61 -4.36 -0.15 -4.89 121.20 108.83 1bj0 s ILE 36 Ca 0.05 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.21 1bj0 s ILE 36 Cb -0.02 -2.52 -0.09 0.00 1.25 0.00 0.00 42.46 41.08 1bj0 s ILE 36 CO 0.09 0.00 0.79 -1.61 0.24 0.00 0.00 174.94 174.46 1bj0 s GLU 37 N -3.82 4.43 0.27 0.37 0.41 -1.26 -4.22 118.70 114.89 1bj0 s GLU 37 Ca 0.34 1.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.98 1bj0 s GLU 37 Cb 0.05 -2.98 0.61 0.00 -1.78 0.00 0.00 34.13 30.03 1bj0 s GLU 37 CO 0.17 0.42 1.72 1.96 -0.49 0.00 0.00 175.26 179.04 1bj0 h GLN 38 N 3.65 0.45 0.00 1.61 4.20 -1.95 0.19 115.11 123.26 1bj0 h GLN 38 Ca -0.47 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.17 1bj0 h GLN 38 Cb 1.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1bj0 h GLN 38 CO 0.65 0.30 -0.20 -1.35 -0.67 0.00 0.00 178.83 177.56 1bj0 h PRO 39 N 0.46 0.00 -0.06 1.46 0.11 -2.00 -1.60 132.00 130.37 1bj0 h PRO 39 Ca 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.60 1bj0 h PRO 39 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1bj0 h PRO 39 CO -0.46 0.20 0.00 1.15 -0.21 0.00 0.00 178.00 178.68 1bj0 h THR 40 N 0.00 1.25 -0.46 -1.15 2.02 -1.03 -2.97 112.91 110.56 1bj0 h THR 40 Ca -0.00 -0.77 0.06 0.00 0.77 0.00 0.00 66.41 66.47 1bj0 h THR 40 Cb 0.39 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.40 1bj0 h THR 40 CO 0.03 0.21 0.17 0.25 0.37 0.00 0.00 175.52 176.55 1bj0 h LEU 41 N -0.18 0.19 -1.81 2.58 5.85 -1.06 -1.64 115.31 119.24 1bj0 h LEU 41 Ca 0.02 0.05 0.32 0.00 0.84 0.00 0.00 57.88 59.11 1bj0 h LEU 41 Cb 0.33 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1bj0 h LEU 41 CO 0.00 0.14 0.79 0.22 -0.34 0.00 0.00 178.44 179.25 1bj0 h TYR 42 N 0.35 0.20 -0.56 1.25 3.20 -1.14 0.36 116.97 120.62 1bj0 h TYR 42 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1bj0 h TYR 42 Cb 0.21 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1bj0 h TYR 42 CO -0.15 0.01 0.27 2.35 -1.64 0.00 0.00 178.16 179.00 1bj0 h TRP 43 N 0.11 0.77 0.00 -3.82 7.01 -1.24 -3.31 115.95 115.48 1bj0 h TRP 43 Ca 0.57 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.46 1bj0 h TRP 43 Cb 2.02 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 28.82 1bj0 h TRP 43 CO -0.00 0.57 -0.87 0.72 -2.79 0.00 0.00 178.44 176.06 1bj0 n HIS 44 N -4.37 0.81 -3.74 2.65 8.25 0.10 -4.86 115.22 114.07 1bj0 n HIS 44 Ca 0.05 0.35 -0.38 0.00 -0.26 0.00 0.00 57.72 57.48 1bj0 n HIS 44 Cb 0.13 -0.84 -0.12 0.00 1.12 0.00 0.00 29.99 30.27 1bj0 n HIS 44 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bj0 s VAL 45 N -2.36 3.71 0.24 1.59 1.01 0.04 -5.00 120.40 119.63 1bj0 s VAL 45 Ca -0.21 -1.36 -0.05 0.00 0.00 0.00 0.00 61.98 60.35 1bj0 s VAL 45 Cb 0.04 -3.21 0.23 0.00 0.00 0.00 0.00 36.38 33.44 1bj0 s VAL 45 CO 0.35 -0.32 1.87 0.11 0.00 0.00 0.00 175.10 177.12 1bj0 h LYS 46 N 8.21 1.04 -2.82 2.72 1.79 -1.83 -3.35 116.57 122.33 1bj0 h LYS 46 Ca -0.21 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.24 1bj0 h LYS 46 Cb 1.07 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 1bj0 h LYS 46 CO 0.64 0.69 0.40 0.54 -1.08 0.00 0.00 179.45 180.64 1bj0 s ASN 47 N -5.86 0.01 0.24 0.86 2.20 -1.26 -4.94 114.94 106.20 1bj0 s ASN 47 Ca -0.13 -0.98 -0.05 0.00 -0.94 0.00 0.00 52.86 50.77 1bj0 s ASN 47 Cb 0.18 0.72 0.25 0.00 -2.00 0.00 0.00 41.25 40.40 1bj0 s ASN 47 CO 0.80 -1.43 1.75 0.50 -2.94 0.00 0.00 177.10 175.78 1bj0 h LYS 48 N 2.00 0.95 -0.54 3.55 3.64 -1.98 -2.56 116.57 121.62 1bj0 h LYS 48 Ca -0.31 -0.23 0.03 0.00 -1.27 0.00 0.00 60.65 58.87 1bj0 h LYS 48 Cb 1.24 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 1bj0 h LYS 48 CO 0.39 0.88 0.32 -0.09 -2.27 0.00 0.00 179.45 178.69 1bj0 h ARG 49 N 0.90 0.61 -0.59 1.90 9.65 -2.00 -1.07 114.38 123.79 1bj0 h ARG 49 Ca 0.18 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.97 1bj0 h ARG 49 Cb 0.40 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 1bj0 h ARG 49 CO 0.01 0.40 0.16 0.00 2.80 0.00 0.00 179.97 183.35 1bj0 h ALA 50 N 1.25 0.77 -0.32 2.80 0.00 -1.94 -2.10 119.26 119.73 1bj0 h ALA 50 Ca 0.22 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1bj0 h ALA 50 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1bj0 h ALA 50 CO -0.11 0.46 0.16 1.25 0.00 0.00 0.00 179.25 181.01 1bj0 h LEU 51 N 0.84 0.25 -0.16 0.00 5.85 -0.97 -2.34 115.31 118.77 1bj0 h LEU 51 Ca 0.19 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1bj0 h LEU 51 Cb 0.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1bj0 h LEU 51 CO -0.00 0.18 0.06 -0.07 -0.34 0.00 0.00 178.44 178.27 1bj0 h LEU 52 N 0.34 0.23 -0.79 2.25 3.38 -1.08 -1.25 115.31 118.39 1bj0 h LEU 52 Ca 0.13 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1bj0 h LEU 52 Cb 0.04 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1bj0 h LEU 52 CO -0.08 0.34 0.33 0.44 0.09 0.00 0.00 178.44 179.55 1bj0 h ASP 53 N 0.10 0.31 -0.42 -0.43 3.32 -1.22 0.71 116.42 118.80 1bj0 h ASP 53 Ca 0.05 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1bj0 h ASP 53 Cb 0.18 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1bj0 h ASP 53 CO -0.00 0.10 -0.04 0.00 -1.72 0.00 0.00 179.24 177.58 1bj0 h ALA 54 N 1.57 0.57 -0.70 3.45 0.00 -1.21 -3.00 119.26 119.95 1bj0 h ALA 54 Ca 0.44 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1bj0 h ALA 54 Cb 0.69 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1bj0 h ALA 54 CO -0.42 0.40 0.46 -0.07 0.00 0.00 0.00 179.25 179.62 1bj0 h LEU 55 N 0.60 0.78 0.74 0.00 3.38 0.23 -1.40 115.31 119.64 1bj0 h LEU 55 Ca 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1bj0 h LEU 55 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1bj0 h LEU 55 CO 0.03 0.56 -0.48 0.00 0.09 0.00 0.00 178.44 178.64 1bj0 h ALA 56 N 1.27 -1.22 -1.01 1.53 0.00 -0.88 -0.13 119.26 118.82 1bj0 h ALA 56 Ca 0.26 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1bj0 h ALA 56 Cb -0.08 0.61 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1bj0 h ALA 56 CO -0.07 -1.20 0.66 -0.39 0.00 0.00 0.00 179.25 178.24 1bj0 h VAL 57 N -1.16 1.14 -0.61 0.00 -1.51 -1.49 -2.63 116.25 109.98 1bj0 h VAL 57 Ca -0.10 -0.42 -0.09 0.00 -1.23 0.00 0.00 66.70 64.85 1bj0 h VAL 57 Cb 0.94 -0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 29.87 1bj0 h VAL 57 CO 0.08 0.23 0.01 -0.08 -1.23 0.00 0.00 177.57 176.58 1bj0 h GLU 58 N 1.23 1.07 -0.13 5.19 4.57 -1.04 0.79 114.58 126.26 1bj0 h GLU 58 Ca 0.41 -0.33 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 1bj0 h GLU 58 Cb 0.07 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 1bj0 h GLU 58 CO -0.14 1.03 -0.03 0.82 -1.18 0.00 0.00 179.01 179.51 1bj0 h ILE 59 N 0.98 0.88 0.60 2.32 2.04 -0.68 -0.28 117.51 123.37 1bj0 h ILE 59 Ca 0.18 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.00 1bj0 h ILE 59 Cb 0.54 0.87 0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1bj0 h ILE 59 CO 0.03 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 177.82 1bj0 h LEU 60 N 0.01 -0.68 -1.41 1.44 3.38 -1.22 -0.45 115.31 116.37 1bj0 h LEU 60 Ca 0.06 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1bj0 h LEU 60 Cb 0.09 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1bj0 h LEU 60 CO -0.13 -0.38 0.55 0.00 0.09 0.00 0.00 178.44 178.57 1bj0 h ALA 61 N -0.69 1.96 0.00 1.53 0.00 -0.83 0.96 119.26 122.19 1bj0 h ALA 61 Ca -0.08 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1bj0 h ALA 61 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1bj0 h ALA 61 CO 0.14 -0.19 -0.43 -0.09 0.00 0.00 0.00 179.25 178.68 1bj0 h ARG 62 N 0.57 0.00 0.00 0.00 2.43 -0.94 -3.42 114.38 113.02 1bj0 h ARG 62 Ca 0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1bj0 h ARG 62 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1bj0 h ARG 62 CO -0.17 0.21 -0.51 0.72 -1.51 0.00 0.00 179.97 178.71 1bj0 n HIS 63 N -3.08 0.00 -1.83 2.20 8.25 -0.19 -4.87 115.22 115.70 1bj0 n HIS 63 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 1bj0 n HIS 63 Cb 0.63 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.71 1bj0 n HIS 63 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1bj0 n HIS 64 N -1.41 3.01 0.09 4.41 -0.00 0.32 -4.65 115.22 117.00 1bj0 n HIS 64 Ca 0.00 -2.12 -0.05 0.00 0.46 0.00 0.00 57.72 56.01 1bj0 n HIS 64 Cb 0.26 -2.33 0.11 0.00 -0.12 0.00 0.00 29.99 27.91 1bj0 n HIS 64 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1bj0 h ASP 65 N 8.05 0.21 -1.64 0.26 3.04 -1.87 -3.31 116.42 121.16 1bj0 h ASP 65 Ca 0.39 -0.13 -0.71 0.00 -3.24 0.00 0.00 57.03 53.34 1bj0 h ASP 65 Cb 0.79 -0.06 -0.21 0.00 -1.04 0.00 0.00 39.33 38.80 1bj0 h ASP 65 CO 1.62 0.80 1.23 0.00 -2.04 0.00 0.00 179.24 180.85 1bj0 n TYR 66 N -3.83 2.50 0.01 4.15 4.19 -1.26 -4.63 117.16 118.29 1bj0 n TYR 66 Ca -0.02 -2.42 -0.18 0.00 3.31 0.00 0.00 57.90 58.59 1bj0 n TYR 66 Cb 0.64 -1.39 -0.11 0.00 0.49 0.00 0.00 39.34 38.97 1bj0 n TYR 66 CO 0.00 0.00 0.00 0.77 0.91 0.00 0.00 176.86 178.54 1bj0 h SER 67 N 3.72 0.60 -3.46 2.98 0.02 -1.93 -3.38 113.55 112.11 1bj0 h SER 67 Ca 0.55 -0.76 -0.66 0.00 -0.84 0.00 0.00 61.79 60.09 1bj0 h SER 67 Cb 0.34 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 62.55 1bj0 h SER 67 CO 1.24 1.28 -0.71 -0.76 -1.14 0.00 0.00 176.83 176.75 1bj0 s LEU 68 N -8.30 3.22 0.20 5.07 1.43 -1.26 -4.97 118.68 114.08 1bj0 s LEU 68 Ca -0.13 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.37 1bj0 s LEU 68 Cb 0.04 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 1bj0 s LEU 68 CO 0.84 0.17 1.50 -2.16 0.23 0.00 0.00 176.35 176.93 1bj0 s PRO 69 N -2.27 4.24 0.18 1.29 0.04 -1.26 -5.01 135.00 132.22 1bj0 s PRO 69 Ca 0.23 2.32 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 1bj0 s PRO 69 Cb -0.11 -3.14 -0.08 0.00 0.04 0.00 0.00 34.50 31.21 1bj0 s PRO 69 CO 0.16 -0.51 1.21 0.00 0.04 0.00 0.00 177.00 177.90 1bj0 s ALA 70 N 0.57 3.44 -0.16 8.56 0.00 -1.26 -4.90 121.76 128.01 1bj0 s ALA 70 Ca 0.64 0.96 -0.37 0.00 0.00 0.00 0.00 51.96 53.19 1bj0 s ALA 70 Cb -0.42 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 1bj0 s ALA 70 CO 0.37 -0.39 1.76 0.00 0.00 0.00 0.00 175.76 177.50 1bj0 n ALA 71 N 2.58 0.23 -1.43 0.00 0.00 -1.26 -2.87 120.51 117.76 1bj0 n ALA 71 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1bj0 n ALA 71 Cb 0.45 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1bj0 n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bj0 n GLY 72 N 4.13 0.65 3.05 0.00 0.00 -1.26 -5.10 105.19 106.66 1bj0 n GLY 72 Ca 0.24 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1bj0 n GLY 72 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bj0 s GLU 73 N -2.92 0.50 0.38 1.61 2.12 -1.14 -5.15 118.70 114.11 1bj0 s GLU 73 Ca 0.00 -0.78 -0.22 0.00 0.36 0.00 0.00 54.97 54.33 1bj0 s GLU 73 Cb 0.00 -0.17 -0.10 0.00 0.26 0.00 0.00 34.13 34.12 1bj0 s GLU 73 CO 0.00 0.01 0.93 -1.54 -0.54 0.00 0.00 175.26 174.13 1bj0 s SER 74 N -1.71 7.06 0.49 -1.70 1.04 -1.26 -4.90 113.70 112.72 1bj0 s SER 74 Ca -0.09 1.71 0.19 0.00 0.48 0.00 0.00 55.95 58.24 1bj0 s SER 74 Cb -0.08 -2.54 1.22 0.00 0.10 0.00 0.00 66.02 64.72 1bj0 s SER 74 CO -0.01 -0.25 2.01 4.11 0.98 0.00 0.00 173.24 180.09 1bj0 h TRP 75 N 2.37 0.19 -0.31 5.02 5.08 -1.98 0.16 115.95 126.49 1bj0 h TRP 75 Ca -0.48 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.45 1bj0 h TRP 75 Cb 1.18 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 27.27 1bj0 h TRP 75 CO 0.62 0.09 0.01 1.96 -1.28 0.00 0.00 178.44 179.83 1bj0 h GLN 76 N 0.17 0.53 -0.50 0.12 7.50 -1.98 -1.51 115.11 119.44 1bj0 h GLN 76 Ca 0.23 -0.17 -0.11 0.00 0.50 0.00 0.00 58.65 59.10 1bj0 h GLN 76 Cb 0.67 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 28.13 1bj0 h GLN 76 CO -0.03 0.67 -0.12 1.03 -1.50 0.00 0.00 178.83 178.87 1bj0 h SER 77 N 0.33 0.98 0.71 1.46 0.87 -1.15 -1.89 113.55 114.85 1bj0 h SER 77 Ca 0.09 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 60.25 1bj0 h SER 77 Cb 0.42 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1bj0 h SER 77 CO 0.01 1.11 -0.37 0.15 -0.53 0.00 0.00 176.83 177.21 1bj0 h PHE 78 N 0.83 -0.96 -0.94 2.24 3.57 -0.94 -1.05 116.94 119.69 1bj0 h PHE 78 Ca 0.13 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.82 1bj0 h PHE 78 Cb 0.69 0.33 -0.12 0.00 2.79 0.00 0.00 35.95 39.63 1bj0 h PHE 78 CO 0.05 -0.58 0.49 -0.07 -2.23 0.00 0.00 178.31 175.97 1bj0 h LEU 79 N -0.99 0.53 -0.12 0.59 3.38 -1.21 0.44 115.31 117.92 1bj0 h LEU 79 Ca -0.09 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1bj0 h LEU 79 Cb 0.77 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1bj0 h LEU 79 CO 0.14 0.10 -0.03 -0.09 0.09 0.00 0.00 178.44 178.64 1bj0 h ARG 80 N 0.53 0.24 -0.33 1.13 2.43 -1.19 -2.27 114.38 114.91 1bj0 h ARG 80 Ca 0.58 -0.09 -0.11 0.00 -0.81 0.00 0.00 59.98 59.54 1bj0 h ARG 80 Cb 1.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1bj0 h ARG 80 CO -0.47 0.54 -0.26 -0.91 -1.51 0.00 0.00 179.97 177.36 1bj0 h ASN 81 N -0.08 0.68 -0.39 -3.80 2.35 0.12 -1.83 115.58 112.64 1bj0 h ASN 81 Ca 0.03 -0.25 -0.12 0.00 -0.55 0.00 0.00 56.30 55.41 1bj0 h ASN 81 Cb 0.45 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1bj0 h ASN 81 CO 0.01 0.91 -0.22 -1.13 -1.65 0.00 0.00 177.43 175.36 1bj0 h ASN 82 N 0.58 0.91 -0.19 5.81 -0.73 -0.21 -2.23 115.58 119.52 1bj0 h ASN 82 Ca 0.08 -0.34 -0.07 0.00 1.87 0.00 0.00 56.30 57.84 1bj0 h ASN 82 Cb 0.74 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 39.08 1bj0 h ASN 82 CO 0.06 1.09 -0.17 0.00 -0.37 0.00 0.00 177.43 178.04 1bj0 h ALA 83 N 0.98 0.28 0.04 1.57 0.00 -1.34 -2.15 119.26 118.62 1bj0 h ALA 83 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1bj0 h ALA 83 Cb 0.77 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1bj0 h ALA 83 CO 0.06 0.18 -0.19 0.52 0.00 0.00 0.00 179.25 179.82 1bj0 h MET 84 N 0.11 -0.32 -0.36 0.00 2.86 -1.23 -1.55 114.93 114.44 1bj0 h MET 84 Ca 0.03 0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1bj0 h MET 84 Cb 0.70 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1bj0 h MET 84 CO 0.04 -0.21 -0.19 0.66 1.06 0.00 0.00 176.91 178.27 1bj0 h SER 85 N -0.33 0.67 -0.93 1.22 4.64 -1.47 -2.07 113.55 115.27 1bj0 h SER 85 Ca 0.05 -0.22 0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1bj0 h SER 85 Cb 0.39 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 1bj0 h SER 85 CO -0.16 0.86 0.61 0.15 -0.87 0.00 0.00 176.83 177.42 1bj0 h PHE 86 N 0.60 1.11 -0.14 4.77 3.57 -1.08 -0.22 116.94 125.55 1bj0 h PHE 86 Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1bj0 h PHE 86 Cb 0.65 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1bj0 h PHE 86 CO 0.03 0.63 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.60 1bj0 h ARG 87 N 1.13 0.28 -0.80 1.11 2.43 -0.97 -2.16 114.38 115.39 1bj0 h ARG 87 Ca 0.38 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 1bj0 h ARG 87 Cb 0.07 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1bj0 h ARG 87 CO -0.13 0.58 0.53 0.00 -1.51 0.00 0.00 179.97 179.44 1bj0 h ARG 88 N -0.05 0.85 0.56 0.20 3.08 -0.73 -0.35 114.38 117.94 1bj0 h ARG 88 Ca 0.03 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1bj0 h ARG 88 Cb 0.49 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.35 1bj0 h ARG 88 CO 0.02 0.56 -0.27 0.00 -1.07 0.00 0.00 179.97 179.21 1bj0 h ALA 89 N 1.56 -0.75 -0.63 0.04 0.00 -0.97 -2.12 119.26 116.41 1bj0 h ALA 89 Ca 0.35 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 55.24 1bj0 h ALA 89 Cb 0.23 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1bj0 h ALA 89 CO -0.12 -0.78 0.49 -0.07 0.00 0.00 0.00 179.25 178.77 1bj0 h LEU 90 N -1.03 0.00 -0.35 0.00 3.38 -0.88 0.10 115.31 116.53 1bj0 h LEU 90 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1bj0 h LEU 90 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1bj0 h LEU 90 CO 0.13 0.00 -0.40 0.18 0.09 0.00 0.00 178.44 178.44 1bj0 n LEU 91 N -4.17 0.94 -0.02 1.67 4.77 -0.19 -3.56 117.00 116.44 1bj0 n LEU 91 Ca 0.12 -0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 1bj0 n LEU 91 Cb 0.73 -0.14 0.16 0.00 -2.33 0.00 0.00 43.42 41.84 1bj0 n LEU 91 CO 0.35 0.19 0.72 -0.09 -1.33 0.00 0.00 177.39 177.23 1bj0 h ARG 92 N 0.85 0.58 -6.71 3.23 9.65 -0.26 -3.44 114.38 118.28 1bj0 h ARG 92 Ca 0.00 -0.23 -0.69 0.00 -1.10 0.00 0.00 59.98 57.96 1bj0 h ARG 92 Cb 0.53 -0.03 -0.26 0.00 -1.39 0.00 0.00 29.97 28.81 1bj0 h ARG 92 CO 0.00 0.78 -0.87 0.71 2.80 0.00 0.00 179.97 183.39 1bj0 s TYR 93 N -4.52 2.35 0.22 2.20 2.02 -1.26 -5.07 117.35 113.29 1bj0 s TYR 93 Ca -0.08 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 55.91 1bj0 s TYR 93 Cb 0.13 -1.41 -0.13 0.00 -0.40 0.00 0.00 41.96 40.16 1bj0 s TYR 93 CO 0.81 0.14 1.57 -2.13 -1.57 0.00 0.00 175.55 174.37 1bj0 n ARG 94 N 1.77 2.38 -1.13 -0.62 0.63 -1.26 -0.71 116.66 117.72 1bj0 n ARG 94 Ca -0.17 0.85 -0.04 0.00 -0.92 0.00 0.00 57.85 57.57 1bj0 n ARG 94 Cb 0.52 -2.62 -0.02 0.00 0.45 0.00 0.00 32.46 30.79 1bj0 n ARG 94 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1bj0 n ASP 95 N 2.95 -4.90 -0.30 6.15 8.00 -1.26 -4.71 116.55 122.50 1bj0 n ASP 95 Ca 0.14 0.11 0.10 0.00 0.71 0.00 0.00 54.79 55.85 1bj0 n ASP 95 Cb 0.32 -2.79 0.23 0.00 -0.02 0.00 0.00 41.12 38.87 1bj0 n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1bj0 h GLY 96 N 0.00 1.10 1.02 0.44 0.00 -1.00 0.11 103.07 104.74 1bj0 h GLY 96 Ca -0.09 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1bj0 h GLY 96 CO 0.13 -0.38 0.48 0.00 0.00 0.00 0.00 176.54 176.77 1bj0 h ALA 97 N 1.81 1.10 -0.31 3.60 0.00 -1.83 -1.79 119.26 121.84 1bj0 h ALA 97 Ca 0.51 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1bj0 h ALA 97 Cb 0.98 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1bj0 h ALA 97 CO -0.74 0.61 -0.16 0.87 0.00 0.00 0.00 179.25 179.82 1bj0 h LYS 98 N 1.20 0.55 -0.10 0.00 1.57 -1.21 0.29 116.57 118.87 1bj0 h LYS 98 Ca 0.30 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1bj0 h LYS 98 Cb 0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1bj0 h LYS 98 CO -0.05 0.70 0.02 0.28 -0.57 0.00 0.00 179.45 179.82 1bj0 h VAL 99 N 0.50 1.21 0.10 0.50 2.07 -0.70 -2.87 116.25 117.06 1bj0 h VAL 99 Ca 0.09 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1bj0 h VAL 99 Cb 0.57 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1bj0 h VAL 99 CO 0.04 0.18 -0.05 -0.74 0.02 0.00 0.00 177.57 177.02 1bj0 h HIS 100 N -0.07 -0.13 -0.80 1.57 -0.00 -1.08 -3.07 115.15 111.58 1bj0 h HIS 100 Ca 0.03 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.59 1bj0 h HIS 100 Cb 0.27 0.04 -0.13 0.00 -0.00 0.00 0.00 27.41 27.59 1bj0 h HIS 100 CO 0.01 -0.00 0.10 1.25 -0.00 0.00 0.00 177.93 179.29 1bj0 h LEU 101 N -0.22 -0.19 0.00 0.26 6.46 -0.95 -2.09 115.31 118.57 1bj0 h LEU 101 Ca -0.01 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1bj0 h LEU 101 Cb 0.18 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1bj0 h LEU 101 CO 0.02 -0.16 0.00 0.61 -0.62 0.00 0.00 178.44 178.30 1bj0 n GLY 102 N -1.40 -0.93 3.80 3.75 0.00 -1.09 -4.87 105.19 104.46 1bj0 n GLY 102 Ca 0.16 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1bj0 n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bj0 s THR 103 N -2.19 4.67 0.23 2.61 -4.23 -0.79 -5.04 115.64 110.91 1bj0 s THR 103 Ca 0.35 -0.76 -0.26 0.00 -1.18 0.00 0.00 61.69 59.83 1bj0 s THR 103 Cb 0.18 -3.28 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 1bj0 s THR 103 CO 0.33 0.09 0.86 -0.60 -0.54 0.00 0.00 174.62 174.76 1bj0 s ARG 104 N -2.54 4.64 0.09 3.99 6.06 -1.26 -4.98 118.95 124.95 1bj0 s ARG 104 Ca 0.30 1.27 -0.31 0.00 -2.50 0.00 0.00 55.73 54.50 1bj0 s ARG 104 Cb -0.12 -3.14 -0.10 0.00 0.06 0.00 0.00 34.95 31.66 1bj0 s ARG 104 CO 0.23 0.48 1.86 -1.25 -2.50 0.00 0.00 175.30 174.12 1bj0 s PRO 105 N -1.43 4.14 0.59 5.12 0.04 -1.26 -4.99 135.00 137.21 1bj0 s PRO 105 Ca 0.41 2.58 -0.15 0.00 0.04 0.00 0.00 61.00 63.87 1bj0 s PRO 105 Cb -0.23 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.50 1bj0 s PRO 105 CO 0.27 -0.87 1.04 0.34 0.04 0.00 0.00 177.00 177.82 1bj0 s ASP 106 N 3.24 5.92 0.36 6.66 2.15 -1.26 -4.89 116.67 128.83 1bj0 s ASP 106 Ca 0.83 1.75 0.25 0.00 0.43 0.00 0.00 52.55 55.81 1bj0 s ASP 106 Cb -0.44 -2.52 1.28 0.00 -0.30 0.00 0.00 42.92 40.94 1bj0 s ASP 106 CO 0.38 -1.07 1.76 -0.08 -0.17 0.00 0.00 175.17 175.98 1bj0 h GLU 107 N 0.43 0.00 -0.39 4.34 4.81 -1.99 -0.20 114.58 121.58 1bj0 h GLU 107 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1bj0 h GLU 107 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1bj0 h GLU 107 CO 0.58 0.00 0.24 0.87 -0.73 0.00 0.00 179.01 179.98 1bj0 h LYS 108 N 0.00 0.52 -0.76 1.92 1.57 -2.01 -1.71 116.57 116.10 1bj0 h LYS 108 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1bj0 h LYS 108 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1bj0 h LYS 108 CO 0.00 0.37 0.25 1.96 -0.57 0.00 0.00 179.45 181.46 1bj0 h GLN 109 N 0.51 1.17 -0.56 3.15 4.20 -1.41 -2.72 115.11 119.46 1bj0 h GLN 109 Ca 0.14 -0.24 0.09 0.00 0.06 0.00 0.00 58.65 58.70 1bj0 h GLN 109 Cb -0.02 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 27.51 1bj0 h GLN 109 CO -0.03 0.98 0.15 1.88 -0.67 0.00 0.00 178.83 181.14 1bj0 h TYR 110 N 1.13 0.24 -0.32 2.96 0.05 -1.06 0.26 116.97 120.24 1bj0 h TYR 110 Ca 0.25 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.97 1bj0 h TYR 110 Cb 0.29 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1bj0 h TYR 110 CO 0.02 0.02 -0.16 -0.44 -1.05 0.00 0.00 178.16 176.55 1bj0 h ASP 111 N 0.29 0.56 0.23 3.88 5.19 -1.16 -2.16 116.42 123.25 1bj0 h ASP 111 Ca 0.28 -0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1bj0 h ASP 111 Cb 0.38 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1bj0 h ASP 111 CO -0.34 0.74 -0.11 0.74 -3.12 0.00 0.00 179.24 177.16 1bj0 h THR 112 N 0.52 0.84 -0.53 0.35 2.02 -0.90 -2.18 112.91 113.03 1bj0 h THR 112 Ca 0.09 -0.66 0.07 0.00 0.77 0.00 0.00 66.41 66.68 1bj0 h THR 112 Cb 0.58 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1bj0 h THR 112 CO 0.04 0.14 0.36 0.58 0.37 0.00 0.00 175.52 177.01 1bj0 h VAL 113 N -0.65 0.96 0.24 3.16 2.07 -0.54 0.47 116.25 121.96 1bj0 h VAL 113 Ca -0.03 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1bj0 h VAL 113 Cb 0.46 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1bj0 h VAL 113 CO 0.05 0.08 -0.11 -0.08 0.02 0.00 0.00 177.57 177.53 1bj0 h GLU 114 N 0.45 -0.31 0.03 1.57 4.57 -1.29 0.22 114.58 119.82 1bj0 h GLU 114 Ca 0.24 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.46 1bj0 h GLU 114 Cb 0.35 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1bj0 h GLU 114 CO -0.06 -0.05 -0.15 1.15 -1.18 0.00 0.00 179.01 178.71 1bj0 h THR 115 N -0.54 0.63 -0.90 0.32 2.02 -0.70 0.31 112.91 114.06 1bj0 h THR 115 Ca -0.03 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 1bj0 h THR 115 Cb 0.40 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.38 1bj0 h THR 115 CO 0.05 0.00 0.58 1.56 0.37 0.00 0.00 175.52 178.08 1bj0 h GLN 116 N -0.27 0.85 -0.27 6.66 4.20 -0.88 0.10 115.11 125.50 1bj0 h GLN 116 Ca 0.04 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 1bj0 h GLN 116 Cb 0.32 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1bj0 h GLN 116 CO -0.13 0.56 -0.34 1.25 -0.67 0.00 0.00 178.83 179.50 1bj0 h LEU 117 N 0.87 0.62 -0.28 1.46 5.85 0.58 -1.99 115.31 122.43 1bj0 h LEU 117 Ca 0.42 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1bj0 h LEU 117 Cb 0.44 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1bj0 h LEU 117 CO -0.18 0.91 0.09 0.03 -0.34 0.00 0.00 178.44 178.95 1bj0 h ARG 118 N 0.50 0.44 0.08 1.25 3.08 0.19 -2.37 114.38 117.55 1bj0 h ARG 118 Ca 0.05 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1bj0 h ARG 118 Cb 0.83 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1bj0 h ARG 118 CO 0.07 0.50 -0.49 0.35 -1.07 0.00 0.00 179.97 179.33 1bj0 h PHE 119 N 0.29 -1.42 -0.50 3.04 3.04 -0.73 0.84 116.94 121.51 1bj0 h PHE 119 Ca 0.09 0.04 0.10 0.00 3.98 0.00 0.00 57.97 62.18 1bj0 h PHE 119 Cb 0.25 0.61 -0.10 0.00 2.56 0.00 0.00 35.95 39.27 1bj0 h PHE 119 CO 0.01 -0.54 -0.15 0.52 -2.02 0.00 0.00 178.31 176.12 1bj0 h MET 120 N -0.67 -0.03 -0.69 1.11 2.86 -1.33 -0.71 114.93 115.46 1bj0 h MET 120 Ca -0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1bj0 h MET 120 Cb 0.69 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 1bj0 h MET 120 CO -0.28 -0.02 0.44 1.79 1.06 0.00 0.00 176.91 179.90 1bj0 h THR 121 N -0.03 1.13 0.00 2.22 1.35 -1.00 -0.38 112.91 116.19 1bj0 h THR 121 Ca 0.24 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1bj0 h THR 121 Cb 0.40 0.17 -0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1bj0 h THR 121 CO -0.53 0.16 -0.01 -0.33 -0.25 0.00 0.00 175.52 174.56 1bj0 h GLU 122 N 0.89 0.00 -0.75 4.72 5.08 0.59 -1.18 114.58 123.93 1bj0 h GLU 122 Ca 0.27 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.49 1bj0 h GLU 122 Cb -0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.13 1bj0 h GLU 122 CO -0.08 0.01 0.17 0.09 -1.00 0.00 0.00 179.01 178.20 1bj0 n ASN 123 N -3.30 4.64 0.00 1.42 3.02 -0.20 -4.89 115.26 115.95 1bj0 n ASN 123 Ca -0.02 -2.97 0.00 0.00 -0.03 0.00 0.00 54.58 51.56 1bj0 n ASN 123 Cb 0.12 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1bj0 n ASN 123 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bj0 n GLY 124 N 0.11 0.75 3.77 7.41 0.00 -0.45 -5.05 105.19 111.72 1bj0 n GLY 124 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1bj0 n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bj0 s PHE 125 N -2.37 3.64 0.56 1.61 0.08 -0.92 -5.01 117.98 115.57 1bj0 s PHE 125 Ca 0.00 1.04 -0.15 0.00 0.12 0.00 0.00 56.93 57.94 1bj0 s PHE 125 Cb 0.00 -2.50 -0.06 0.00 -0.57 0.00 0.00 43.02 39.89 1bj0 s PHE 125 CO 0.00 0.38 1.01 -1.54 -0.10 0.00 0.00 175.22 174.97 1bj0 s SER 126 N -0.19 6.30 0.18 1.36 1.04 -1.26 -3.85 113.70 117.28 1bj0 s SER 126 Ca 0.27 1.62 -0.25 0.00 0.48 0.00 0.00 55.95 58.08 1bj0 s SER 126 Cb -0.17 -2.51 0.07 0.00 0.10 0.00 0.00 66.02 63.51 1bj0 s SER 126 CO 0.14 -0.81 1.56 -0.07 0.98 0.00 0.00 173.24 175.04 1bj0 h LEU 127 N 0.57 -1.56 -0.10 2.42 3.38 -1.97 0.19 115.31 118.25 1bj0 h LEU 127 Ca -0.46 0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1bj0 h LEU 127 Cb 1.20 0.73 -0.04 0.00 0.09 0.00 0.00 40.66 42.63 1bj0 h LEU 127 CO 0.60 -0.31 -0.36 -0.09 0.09 0.00 0.00 178.44 178.37 1bj0 h ARG 128 N -0.15 -0.37 -0.51 1.13 2.43 -1.99 -0.78 114.38 114.13 1bj0 h ARG 128 Ca 0.21 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1bj0 h ARG 128 Cb 0.55 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1bj0 h ARG 128 CO -0.78 -0.25 0.31 -0.44 -1.51 0.00 0.00 179.97 177.31 1bj0 h ASP 129 N -0.38 0.51 -0.86 -3.80 5.19 -1.84 -0.23 116.42 115.00 1bj0 h ASP 129 Ca 0.02 0.00 0.16 0.00 -0.62 0.00 0.00 57.03 56.59 1bj0 h ASP 129 Cb 0.45 -0.11 -0.10 0.00 0.18 0.00 0.00 39.33 39.75 1bj0 h ASP 129 CO -0.29 0.36 0.43 1.23 -3.12 0.00 0.00 179.24 177.85 1bj0 h GLY 130 N 0.62 1.42 0.56 2.75 0.00 -0.23 0.16 103.07 108.35 1bj0 h GLY 130 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1bj0 h GLY 130 CO -0.08 -0.08 -0.05 -2.00 0.00 0.00 0.00 176.54 174.33 1bj0 h LEU 131 N 0.59 0.11 -0.87 3.11 5.85 -0.68 -2.62 115.31 120.80 1bj0 h LEU 131 Ca 0.48 -0.51 0.18 0.00 0.84 0.00 0.00 57.88 58.88 1bj0 h LEU 131 Cb 0.73 -0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.63 1bj0 h LEU 131 CO -0.39 0.59 0.42 1.88 -0.34 0.00 0.00 178.44 180.60 1bj0 h TYR 132 N -0.37 0.72 0.72 1.25 -1.99 0.40 0.18 116.97 117.87 1bj0 h TYR 132 Ca 0.01 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 1bj0 h TYR 132 Cb 0.56 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.11 1bj0 h TYR 132 CO 0.10 0.08 -0.42 0.00 -0.00 0.00 0.00 178.16 177.92 1bj0 h ALA 133 N 1.63 -1.09 -0.65 3.88 0.00 -0.70 0.94 119.26 123.27 1bj0 h ALA 133 Ca 0.51 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1bj0 h ALA 133 Cb 0.84 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1bj0 h ALA 133 CO -0.44 -1.12 0.27 0.82 0.00 0.00 0.00 179.25 178.78 1bj0 h ILE 134 N -1.06 0.78 -0.15 0.00 2.04 -0.87 -2.18 117.51 116.07 1bj0 h ILE 134 Ca -0.09 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1bj0 h ILE 134 Cb 0.85 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1bj0 h ILE 134 CO 0.11 0.08 0.06 0.28 0.00 0.00 0.00 178.15 178.68 1bj0 h SER 135 N 0.46 0.21 -0.99 1.72 0.02 -0.45 -1.69 113.55 112.82 1bj0 h SER 135 Ca 0.33 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1bj0 h SER 135 Cb 0.40 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.83 1bj0 h SER 135 CO -0.31 0.32 0.65 0.00 -1.14 0.00 0.00 176.83 176.36 1bj0 h ALA 136 N 0.89 1.35 -0.66 3.77 0.00 -0.51 0.46 119.26 124.57 1bj0 h ALA 136 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1bj0 h ALA 136 Cb 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1bj0 h ALA 136 CO -0.00 0.55 0.08 0.28 0.00 0.00 0.00 179.25 180.16 1bj0 h VAL 137 N 1.26 1.26 0.09 0.00 2.07 -1.22 -1.08 116.25 118.63 1bj0 h VAL 137 Ca 0.40 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1bj0 h VAL 137 Cb -0.00 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1bj0 h VAL 137 CO -0.12 0.40 -0.04 0.28 0.02 0.00 0.00 177.57 178.10 1bj0 h SER 138 N 1.03 -0.11 -0.12 0.57 0.02 -0.28 -1.74 113.55 112.92 1bj0 h SER 138 Ca 0.20 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1bj0 h SER 138 Cb 0.48 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 1bj0 h SER 138 CO 0.02 0.33 -0.20 0.45 -1.14 0.00 0.00 176.83 176.29 1bj0 h HIS 139 N -0.57 -0.52 -0.71 3.45 3.86 -0.06 0.76 115.15 121.36 1bj0 h HIS 139 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1bj0 h HIS 139 Cb 0.47 0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 1bj0 h HIS 139 CO 0.07 -0.28 0.41 0.35 0.86 0.00 0.00 177.93 179.34 1bj0 h PHE 140 N -0.26 0.95 -0.55 2.45 3.57 -1.27 0.26 116.94 122.09 1bj0 h PHE 140 Ca 0.10 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1bj0 h PHE 140 Cb 0.40 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1bj0 h PHE 140 CO -0.30 0.65 0.07 1.15 -2.23 0.00 0.00 178.31 177.65 1bj0 h THR 141 N 0.97 1.24 0.13 4.41 2.02 -0.80 -1.74 112.91 119.14 1bj0 h THR 141 Ca 0.25 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1bj0 h THR 141 Cb -0.01 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1bj0 h THR 141 CO -0.04 0.35 -0.06 0.25 0.37 0.00 0.00 175.52 176.38 1bj0 h LEU 142 N 0.84 -0.15 -0.77 2.58 5.85 -0.40 -1.58 115.31 121.67 1bj0 h LEU 142 Ca 0.17 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1bj0 h LEU 142 Cb 0.40 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 1bj0 h LEU 142 CO 0.01 0.25 0.41 1.23 -0.34 0.00 0.00 178.44 180.00 1bj0 h GLY 143 N -0.57 1.17 0.99 3.75 0.00 -0.94 0.30 103.07 107.77 1bj0 h GLY 143 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1bj0 h GLY 143 CO 0.03 0.09 -0.40 0.00 0.00 0.00 0.00 176.54 176.26 1bj0 h ALA 144 N 1.44 -1.12 -0.52 3.60 0.00 -1.27 -1.41 119.26 119.97 1bj0 h ALA 144 Ca 0.37 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1bj0 h ALA 144 Cb 0.37 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1bj0 h ALA 144 CO -0.26 -1.12 0.22 0.28 0.00 0.00 0.00 179.25 178.37 1bj0 h VAL 145 N -1.15 0.87 0.19 0.00 2.07 -1.06 -1.82 116.25 115.35 1bj0 h VAL 145 Ca -0.11 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1bj0 h VAL 145 Cb 0.86 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1bj0 h VAL 145 CO 0.19 0.08 -0.28 -0.07 0.02 0.00 0.00 177.57 177.51 1bj0 h LEU 146 N 0.42 -0.77 -0.99 2.57 3.38 -0.86 0.22 115.31 119.29 1bj0 h LEU 146 Ca 0.25 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.49 1bj0 h LEU 146 Cb 0.23 0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 1bj0 h LEU 146 CO -0.22 -0.38 0.59 -0.33 0.09 0.00 0.00 178.44 178.19 1bj0 h GLU 147 N -0.53 0.72 -0.62 1.13 4.39 -0.93 0.11 114.58 118.85 1bj0 h GLU 147 Ca 0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1bj0 h GLU 147 Cb 0.53 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1bj0 h GLU 147 CO -0.12 0.48 0.02 0.37 -1.16 0.00 0.00 179.01 178.60 1bj0 h GLN 148 N 0.74 1.08 0.00 2.33 4.15 -0.48 -3.00 115.11 119.94 1bj0 h GLN 148 Ca 0.57 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1bj0 h GLN 148 Cb 0.90 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1bj0 h GLN 148 CO -0.39 1.04 0.00 1.96 -1.93 0.00 0.00 178.83 179.52 1bj0 h GLN 149 N 0.99 0.00 0.00 1.69 4.20 0.12 -3.10 115.11 119.01 1bj0 h GLN 149 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1bj0 h GLN 149 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1bj0 h GLN 149 CO 0.03 0.00 -0.77 1.49 -0.67 0.00 0.00 178.83 178.91 1bj0 h GLU 150 N 0.00 0.00 0.00 1.46 4.57 -1.14 -3.48 114.58 115.99 1bj0 h GLU 150 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bj0 h GLU 150 Cb 0.67 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1bj0 h GLU 150 CO 0.00 0.00 0.00 0.72 -1.18 0.00 0.00 179.01 178.55 1bj0 n HIS 151 N -2.33 -1.16 -3.15 0.92 8.25 -1.16 -5.11 115.22 111.48 1bj0 n HIS 151 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 1bj0 n HIS 151 Cb 0.48 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 1bj0 n HIS 151 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1bj0 s LEU 166 N 0.00 -0.48 0.76 2.41 2.96 -1.26 -5.04 118.68 118.03 1bj0 s LEU 166 Ca 0.00 0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 1bj0 s LEU 166 Cb 0.00 1.35 0.01 0.00 0.50 0.00 0.00 46.19 48.05 1bj0 s LEU 166 CO 0.00 -0.09 0.84 -2.65 -1.32 0.00 0.00 176.35 173.13 1bj0 n PRO 167 N 5.32 0.31 0.00 0.98 -0.02 -1.26 -4.66 135.00 135.67 1bj0 n PRO 167 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1bj0 n PRO 167 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1bj0 n PRO 167 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1bj0 n PRO 168 N -1.80 0.00 -0.35 0.52 -0.02 -1.26 -0.29 135.00 131.79 1bj0 n PRO 168 Ca 0.12 0.78 0.03 0.00 -2.02 0.00 0.00 63.50 62.40 1bj0 n PRO 168 Cb 0.50 -1.32 0.17 0.00 -0.02 0.00 0.00 33.50 32.84 1bj0 n PRO 168 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1bj0 h LEU 169 N 0.00 0.96 -0.93 2.45 3.38 -2.01 -1.89 115.31 117.27 1bj0 h LEU 169 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1bj0 h LEU 169 Cb 0.00 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1bj0 h LEU 169 CO 0.00 0.60 0.50 0.25 0.09 0.00 0.00 178.44 179.88 1bj0 h LEU 170 N 1.09 1.12 -0.61 1.67 5.85 -1.84 -0.50 115.31 122.09 1bj0 h LEU 170 Ca 0.43 -0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.18 1bj0 h LEU 170 Cb 0.22 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 40.85 1bj0 h LEU 170 CO -0.19 0.89 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.62 1bj0 h ARG 171 N 1.26 0.04 -0.10 1.25 2.43 0.21 0.61 114.38 120.08 1bj0 h ARG 171 Ca 0.32 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1bj0 h ARG 171 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bj0 h ARG 171 CO -0.05 0.03 -0.01 0.93 -1.51 0.00 0.00 179.97 179.35 1bj0 h GLU 172 N 0.04 0.19 0.37 0.20 4.39 -1.36 -2.22 114.58 116.19 1bj0 h GLU 172 Ca 0.31 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1bj0 h GLU 172 Cb 0.48 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1bj0 h GLU 172 CO -0.59 0.48 -0.37 0.00 -1.16 0.00 0.00 179.01 177.37 1bj0 h ALA 173 N 0.70 -0.81 -0.63 3.43 0.00 0.05 -2.68 119.26 119.31 1bj0 h ALA 173 Ca 0.03 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1bj0 h ALA 173 Cb 0.40 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1bj0 h ALA 173 CO 0.01 -0.99 0.13 1.25 0.00 0.00 0.00 179.25 179.64 1bj0 h LEU 174 N -0.77 -0.02 -1.86 0.00 5.85 0.12 -1.21 115.31 117.43 1bj0 h LEU 174 Ca -0.03 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1bj0 h LEU 174 Cb 0.69 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1bj0 h LEU 174 CO -0.07 -0.01 0.20 1.56 -0.34 0.00 0.00 178.44 179.78 1bj0 h GLN 175 N 0.25 0.18 0.00 1.25 4.20 -1.09 0.12 115.11 120.02 1bj0 h GLN 175 Ca 0.34 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 1bj0 h GLN 175 Cb 0.53 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1bj0 h GLN 175 CO -0.44 0.12 -0.27 0.82 -0.67 0.00 0.00 178.83 178.39 1bj0 h ILE 176 N 0.18 0.51 0.01 2.54 2.04 -0.91 -2.80 117.51 119.09 1bj0 h ILE 176 Ca 0.13 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1bj0 h ILE 176 Cb 0.27 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1bj0 h ILE 176 CO -0.02 0.27 -0.11 0.24 0.00 0.00 0.00 178.15 178.53 1bj0 h MET 177 N 0.00 0.05 0.00 2.37 2.86 -0.68 -3.30 114.93 116.24 1bj0 h MET 177 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1bj0 h MET 177 Cb 1.07 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1bj0 h MET 177 CO 0.04 0.95 0.00 -0.44 1.06 0.00 0.00 176.91 178.51 1bj0 h ASP 178 N -0.81 0.00 0.09 1.22 5.19 -0.91 -3.13 116.42 118.07 1bj0 h ASP 178 Ca -0.02 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.26 1bj0 h ASP 178 Cb 1.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.52 1bj0 h ASP 178 CO 0.02 0.00 -0.56 0.77 -3.12 0.00 0.00 179.24 176.35 1bj0 h SER 179 N 0.00 0.34 -2.16 6.45 4.64 -1.59 -3.47 113.55 117.76 1bj0 h SER 179 Ca 0.00 -0.94 -0.44 0.00 -0.47 0.00 0.00 61.79 59.94 1bj0 h SER 179 Cb 0.19 -0.11 0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1bj0 h SER 179 CO 0.00 1.26 -0.08 -0.62 -0.87 0.00 0.00 176.83 176.52 1bj0 s ASP 180 N -6.73 5.28 -0.22 4.97 2.15 -1.18 -5.00 116.67 115.93 1bj0 s ASP 180 Ca -0.15 -0.17 0.06 0.00 0.43 0.00 0.00 52.55 52.72 1bj0 s ASP 180 Cb 0.00 -0.70 0.51 0.00 -0.30 0.00 0.00 42.92 42.43 1bj0 s ASP 180 CO 0.79 -1.13 1.46 -0.90 -0.17 0.00 0.00 175.17 175.23 1bj0 n ASP 181 N -2.27 3.88 0.00 -0.34 5.75 -1.26 -4.87 116.55 117.45 1bj0 n ASP 181 Ca 0.09 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 1bj0 n ASP 181 Cb 0.60 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1bj0 n ASP 181 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bj0 n GLY 182 N -0.03 0.83 0.19 6.12 0.00 -1.26 -4.94 105.19 106.09 1bj0 n GLY 182 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1bj0 n GLY 182 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bj0 h GLU 183 N 2.91 0.62 0.29 1.61 4.81 -1.97 -3.10 114.58 119.75 1bj0 h GLU 183 Ca 0.00 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1bj0 h GLU 183 Cb 0.00 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1bj0 h GLU 183 CO 0.00 0.97 -0.34 1.96 -0.73 0.00 0.00 179.01 180.86 1bj0 h GLN 184 N 0.31 -0.66 -0.90 1.92 4.20 -1.98 0.33 115.11 118.34 1bj0 h GLN 184 Ca 0.02 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1bj0 h GLN 184 Cb 0.90 0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.76 1bj0 h GLN 184 CO 0.07 -0.44 0.58 0.00 -0.67 0.00 0.00 178.83 178.37 1bj0 h ALA 185 N -0.17 1.76 0.09 3.87 0.00 -1.98 -0.10 119.26 122.73 1bj0 h ALA 185 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bj0 h ALA 185 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bj0 h ALA 185 CO -0.09 0.02 -0.04 0.35 0.00 0.00 0.00 179.25 179.48 1bj0 h PHE 186 N 0.76 -0.11 -0.80 0.00 3.57 -1.34 -1.61 116.94 117.42 1bj0 h PHE 186 Ca 0.44 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.98 1bj0 h PHE 186 Cb 0.62 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1bj0 h PHE 186 CO -0.00 0.24 0.52 -0.07 -2.23 0.00 0.00 178.31 176.77 1bj0 h LEU 187 N -0.46 0.84 0.61 0.59 3.38 -0.26 0.32 115.31 120.33 1bj0 h LEU 187 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1bj0 h LEU 187 Cb 0.39 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1bj0 h LEU 187 CO 0.02 0.58 -0.29 -0.74 0.09 0.00 0.00 178.44 178.09 1bj0 h HIS 188 N 0.98 -0.76 -0.96 1.13 2.76 -0.99 -2.06 115.15 115.24 1bj0 h HIS 188 Ca 0.32 -0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.68 1bj0 h HIS 188 Cb 0.05 0.25 -0.08 0.00 1.55 0.00 0.00 27.41 29.18 1bj0 h HIS 188 CO -0.00 -0.47 0.62 0.78 -1.30 0.00 0.00 177.93 177.55 1bj0 h GLY 189 N -1.02 1.17 1.00 5.26 0.00 -1.07 0.87 103.07 109.28 1bj0 h GLY 189 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1bj0 h GLY 189 CO 0.14 -0.04 0.14 -2.00 0.00 0.00 0.00 176.54 174.78 1bj0 h LEU 190 N 0.50 0.24 -0.52 3.11 5.85 -0.26 -1.86 115.31 122.38 1bj0 h LEU 190 Ca 0.52 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.23 1bj0 h LEU 190 Cb 1.16 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1bj0 h LEU 190 CO -0.25 0.17 0.29 -0.33 -0.34 0.00 0.00 178.44 177.98 1bj0 h GLU 191 N 0.28 0.71 -0.79 1.25 4.39 -0.11 -1.43 114.58 118.89 1bj0 h GLU 191 Ca 0.08 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1bj0 h GLU 191 Cb -0.03 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.44 1bj0 h GLU 191 CO -0.02 0.55 0.52 0.77 -1.16 0.00 0.00 179.01 179.67 1bj0 h SER 192 N 0.69 0.87 0.58 1.42 0.02 -1.26 -0.58 113.55 115.28 1bj0 h SER 192 Ca 0.18 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1bj0 h SER 192 Cb 0.04 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.37 1bj0 h SER 192 CO -0.03 0.62 -0.28 0.25 -1.14 0.00 0.00 176.83 176.25 1bj0 h LEU 193 N 1.02 -0.65 -0.39 5.07 5.85 -0.86 -1.00 115.31 124.34 1bj0 h LEU 193 Ca 0.30 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1bj0 h LEU 193 Cb -0.04 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1bj0 h LEU 193 CO -0.08 -0.33 -0.08 0.40 -0.34 0.00 0.00 178.44 178.01 1bj0 h ILE 194 N -0.99 0.62 -0.44 4.05 2.04 -1.04 -1.54 117.51 120.21 1bj0 h ILE 194 Ca -0.08 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1bj0 h ILE 194 Cb 0.65 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1bj0 h ILE 194 CO 0.13 0.00 0.17 -0.09 0.00 0.00 0.00 178.15 178.37 1bj0 h ARG 195 N 0.02 0.35 -0.29 2.37 9.65 -1.11 0.49 114.38 125.86 1bj0 h ARG 195 Ca 0.19 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.13 1bj0 h ARG 195 Cb 0.29 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1bj0 h ARG 195 CO -0.39 0.23 0.23 0.78 2.80 0.00 0.00 179.97 183.62 1bj0 h GLY 196 N 0.36 0.00 0.83 2.80 0.00 -0.20 -0.05 103.07 106.80 1bj0 h GLY 196 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.38 1bj0 h GLY 196 CO -0.19 0.00 -0.56 0.74 0.00 0.00 0.00 176.54 176.53 1bj0 h PHE 197 N 0.00 0.65 0.05 5.60 0.04 -0.26 -3.07 116.94 119.95 1bj0 h PHE 197 Ca 0.14 -0.32 0.02 0.00 2.80 0.00 0.00 57.97 60.61 1bj0 h PHE 197 Cb 0.60 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 1bj0 h PHE 197 CO 0.00 1.12 -0.23 0.93 -0.60 0.00 0.00 178.31 179.53 1bj0 h GLU 198 N -0.01 -0.38 0.00 1.51 5.08 -0.12 0.29 114.58 120.96 1bj0 h GLU 198 Ca -0.06 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1bj0 h GLU 198 Cb 1.24 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1bj0 h GLU 198 CO 0.11 -0.25 0.21 0.28 -1.00 0.00 0.00 179.01 178.36 1bj0 h VAL 199 N -0.39 0.00 0.03 3.13 2.07 -1.27 0.19 116.25 120.00 1bj0 h VAL 199 Ca 0.05 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 67.19 1bj0 h VAL 199 Cb 0.45 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1bj0 h VAL 199 CO -0.18 0.00 -2.17 1.67 0.02 0.00 0.00 177.57 176.91 1bj0 n GLN 200 N -2.48 0.64 -0.27 1.57 -0.06 0.02 -3.56 117.38 113.24 1bj0 n GLN 200 Ca -0.02 0.29 -0.04 0.00 -2.00 0.00 0.00 57.00 55.23 1bj0 n GLN 200 Cb 0.25 -1.59 0.07 0.00 -4.06 0.00 0.00 30.24 24.91 1bj0 n GLN 200 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1bj0 h LEU 201 N -0.48 0.83 -1.32 1.69 5.85 0.70 -1.86 115.31 120.72 1bj0 h LEU 201 Ca -0.54 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.09 1bj0 h LEU 201 Cb 1.73 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1bj0 h LEU 201 CO -0.18 0.59 -0.33 0.74 -0.34 0.00 0.00 178.44 178.92 1bj0 h THR 202 N 0.98 1.13 0.31 1.05 2.02 -1.22 -3.22 112.91 113.97 1bj0 h THR 202 Ca 0.28 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 1bj0 h THR 202 Cb -0.07 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1bj0 h THR 202 CO -0.08 0.33 -0.18 0.00 0.37 0.00 0.00 175.52 175.96 1bj0 h ALA 203 N 1.67 -0.45 -0.78 6.16 0.00 -1.39 -3.46 119.26 121.01 1bj0 h ALA 203 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bj0 h ALA 203 Cb 0.63 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1bj0 h ALA 203 CO 0.04 -0.76 0.00 1.28 0.00 0.00 0.00 179.25 179.81 1bj0 n LEU 204 N -5.30 0.00 -0.46 0.00 4.77 -1.18 -2.63 117.00 112.20 1bj0 n LEU 204 Ca -0.10 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1bj0 n LEU 204 Cb 0.21 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1bj0 n LEU 204 CO 0.34 0.00 0.37 0.18 -1.33 0.00 0.00 177.39 176.95 1bj0 n LEU 205 N 0.00 1.37 -4.98 2.23 4.77 -1.26 -5.07 117.00 114.06 1bj0 n LEU 205 Ca 0.00 -2.29 -0.20 0.00 -0.03 0.00 0.00 56.01 53.49 1bj0 n LEU 205 Cb 0.00 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1bj0 n LEU 205 CO 0.00 0.60 0.18 -1.10 -1.33 0.00 0.00 177.39 175.74 1bj0 s GLN 206 N -1.53 2.52 -0.31 3.23 -0.21 -1.08 -5.07 119.66 117.22 1bj0 s GLN 206 Ca 0.21 -1.54 -0.21 0.00 0.02 0.00 0.00 55.36 53.85 1bj0 s GLN 206 Cb 0.20 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.63 1bj0 s GLN 206 CO -0.02 -0.51 0.64 0.42 -2.12 0.00 0.00 175.29 173.70 1bj0 s ILE 207 N -2.54 4.93 -1.69 1.08 -1.09 -1.26 -5.02 121.20 115.61 1bj0 s ILE 207 Ca 0.54 0.88 0.14 0.00 -2.23 0.00 0.00 60.65 59.97 1bj0 s ILE 207 Cb -0.06 -4.01 0.11 0.00 -1.58 0.00 0.00 42.46 36.91 1bj0 s ILE 207 CO 0.33 -0.15 0.93 0.55 -1.23 0.00 0.00 174.94 175.37