#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gou n HIS 2 N 0.00 -0.37 -3.78 6.34 -0.00 -1.26 -5.12 115.22 111.02 3gou n HIS 2 Ca 0.00 0.01 -0.34 0.00 -0.00 0.00 0.00 57.72 57.39 3gou n HIS 2 Cb 0.00 0.51 0.03 0.00 -0.00 0.00 0.00 29.99 30.53 3gou n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3gou n LEU 3 N -2.52 -2.28 -4.56 2.41 4.77 -1.26 -4.94 117.00 108.62 3gou n LEU 3 Ca 0.00 -1.07 -0.35 0.00 -0.03 0.00 0.00 56.01 54.56 3gou n LEU 3 Cb 0.00 -2.22 0.10 0.00 -2.33 0.00 0.00 43.42 38.97 3gou n LEU 3 CO 0.00 0.54 0.37 0.35 -1.33 0.00 0.00 177.39 177.31 3gou n THR 4 N -4.38 1.79 -0.36 -5.08 -2.24 -1.26 -4.20 114.28 98.55 3gou n THR 4 Ca -0.12 -0.30 0.03 0.00 -2.27 0.00 0.00 64.05 61.40 3gou n THR 4 Cb 0.59 -0.95 0.09 0.00 -2.10 0.00 0.00 70.33 67.97 3gou n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gou h ALA 5 N -0.72 0.43 -0.12 6.98 0.00 -2.00 0.58 119.26 124.42 3gou h ALA 5 Ca -0.46 0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3gou h ALA 5 Cb 1.32 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 3gou h ALA 5 CO 0.43 -0.49 -0.30 1.49 0.00 0.00 0.00 179.25 180.39 3gou h GLU 6 N -0.00 -0.27 -0.62 0.00 4.57 -2.01 -2.33 114.58 113.91 3gou h GLU 6 Ca 0.42 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.74 3gou h GLU 6 Cb 0.67 0.06 -0.11 0.00 -0.16 0.00 0.00 28.75 29.21 3gou h GLU 6 CO -1.00 -0.18 0.00 0.93 -1.18 0.00 0.00 179.01 177.58 3gou h GLU 7 N -0.28 0.12 -0.76 1.92 5.08 -0.21 -0.86 114.58 119.57 3gou h GLU 7 Ca 0.02 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3gou h GLU 7 Cb 0.35 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3gou h GLU 7 CO -0.27 0.08 0.44 -0.22 -1.00 0.00 0.00 179.01 178.04 3gou h LYS 8 N 0.12 0.77 -0.43 2.33 3.11 -0.58 0.14 116.57 122.03 3gou h LYS 8 Ca 0.33 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 58.04 3gou h LYS 8 Cb 0.53 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 3gou h LYS 8 CO -0.53 0.51 -0.07 0.66 -2.81 0.00 0.00 179.45 177.21 3gou h SER 9 N 0.79 0.80 0.03 4.20 4.64 -0.65 -0.79 113.55 122.57 3gou h SER 9 Ca 0.35 -0.34 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3gou h SER 9 Cb 0.24 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 3gou h SER 9 CO -0.20 0.96 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.47 3gou h LEU 10 N 0.63 -0.49 -0.98 5.97 3.38 -0.97 0.20 115.31 123.05 3gou h LEU 10 Ca 0.11 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3gou h LEU 10 Cb 0.59 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 3gou h LEU 10 CO 0.04 -0.24 0.62 0.58 0.09 0.00 0.00 178.44 179.53 3gou h VAL 11 N -0.30 1.05 -0.32 1.22 2.07 -0.51 -0.86 116.25 118.60 3gou h VAL 11 Ca 0.04 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 3gou h VAL 11 Cb 0.35 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3gou h VAL 11 CO -0.14 0.20 -0.45 0.28 0.02 0.00 0.00 177.57 177.48 3gou h SER 12 N 1.11 0.89 -0.54 0.57 0.02 -1.06 -3.09 113.55 111.44 3gou h SER 12 Ca 0.43 -0.43 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3gou h SER 12 Cb 0.22 -0.25 -0.10 0.00 0.14 0.00 0.00 62.40 62.41 3gou h SER 12 CO -0.19 1.20 -0.06 1.23 -1.14 0.00 0.00 176.83 177.87 3gou h GLY 13 N 0.83 0.48 0.91 -3.77 0.00 0.70 -2.95 103.07 99.27 3gou h GLY 13 Ca 0.04 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 3gou h GLY 13 CO 0.10 -0.19 -0.33 1.41 0.00 0.00 0.00 176.54 177.54 3gou h LEU 14 N 0.06 0.65 -0.57 3.11 -0.00 -1.19 -3.27 115.31 114.09 3gou h LEU 14 Ca 0.27 -0.52 0.10 0.00 -0.00 0.00 0.00 57.88 57.73 3gou h LEU 14 Cb 0.42 -0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 40.82 3gou h LEU 14 CO -0.51 1.05 0.15 -0.25 -0.00 0.00 0.00 178.44 178.88 3gou h TRP 15 N 0.28 0.24 -0.25 1.13 2.91 -1.44 -0.92 115.95 117.89 3gou h TRP 15 Ca 0.02 0.03 0.07 0.00 1.13 0.00 0.00 58.89 60.14 3gou h TRP 15 Cb 0.91 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.53 3gou h TRP 15 CO 0.09 0.01 0.58 0.78 -1.03 0.00 0.00 178.44 178.87 3gou h GLY 16 N 0.29 0.00 -0.60 2.65 0.00 -1.57 0.13 103.07 103.96 3gou h GLY 16 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 3gou h GLY 16 CO -0.35 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.47 3gou n LYS 17 N -3.11 0.70 -2.09 4.80 5.02 -0.38 -5.01 118.16 118.09 3gou n LYS 17 Ca 0.04 -1.14 -0.39 0.00 -2.02 0.00 0.00 58.31 54.80 3gou n LYS 17 Cb 0.69 -1.14 -0.00 0.00 -0.02 0.00 0.00 35.03 34.56 3gou n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gou s VAL 18 N -0.67 2.70 -0.58 -0.18 1.01 0.43 -4.95 120.40 118.16 3gou s VAL 18 Ca 0.09 0.61 -0.27 0.00 0.00 0.00 0.00 61.98 62.41 3gou s VAL 18 Cb 0.06 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3gou s VAL 18 CO 0.09 0.07 1.12 0.21 0.00 0.00 0.00 175.10 176.59 3gou s ASN 19 N -0.87 6.40 0.27 3.32 3.84 -1.26 -4.92 114.94 121.72 3gou s ASN 19 Ca 0.58 -0.05 -0.02 0.00 0.21 0.00 0.00 52.86 53.58 3gou s ASN 19 Cb -0.36 -2.52 0.44 0.00 -0.55 0.00 0.00 41.25 38.26 3gou s ASN 19 CO 0.46 -1.43 1.85 1.62 -2.79 0.00 0.00 177.10 176.82 3gou h VAL 20 N 6.11 1.01 0.00 -5.21 3.04 -1.93 -1.02 116.25 118.24 3gou h VAL 20 Ca -0.25 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 3gou h VAL 20 Cb 1.06 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 3gou h VAL 20 CO 1.16 0.19 -0.09 0.47 -1.01 0.00 0.00 177.57 178.29 3gou n ASP 21 N -4.58 0.09 0.00 3.17 10.43 -1.26 -4.43 116.55 119.97 3gou n ASP 21 Ca 0.16 0.36 0.00 0.00 2.57 0.00 0.00 54.79 57.88 3gou n ASP 21 Cb 0.25 -0.36 0.00 0.00 1.84 0.00 0.00 41.12 42.84 3gou n ASP 21 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3gou n GLU 22 N -1.50 0.00 -0.36 -1.24 4.07 -0.86 -4.77 120.64 115.98 3gou n GLU 22 Ca 0.07 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.15 3gou n GLU 22 Cb 0.34 -0.81 0.13 0.00 -0.06 0.00 0.00 31.44 31.04 3gou n GLU 22 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3gou h VAL 23 N 0.00 1.25 -0.15 6.31 2.07 -1.42 -1.66 116.25 122.64 3gou h VAL 23 Ca 0.00 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 3gou h VAL 23 Cb 0.77 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3gou h VAL 23 CO 0.00 0.24 -0.05 1.23 0.02 0.00 0.00 177.57 179.01 3gou h GLY 24 N 1.32 0.34 1.98 2.17 0.00 -1.80 -1.57 103.07 105.50 3gou h GLY 24 Ca 0.36 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3gou h GLY 24 CO -0.08 0.26 -0.16 -1.33 0.00 0.00 0.00 176.54 175.23 3gou h GLY 25 N -0.01 0.03 1.76 4.60 0.00 -1.69 -1.83 103.07 105.93 3gou h GLY 25 Ca 0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 3gou h GLY 25 CO 0.02 0.02 -0.68 0.83 0.00 0.00 0.00 176.54 176.73 3gou h GLU 26 N 0.03 0.24 0.01 4.80 5.08 -0.76 -2.13 114.58 121.86 3gou h GLU 26 Ca 0.00 -0.19 -0.26 0.00 -1.00 0.00 0.00 59.36 57.91 3gou h GLU 26 Cb 0.30 0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gou h GLU 26 CO 0.02 0.83 -1.04 0.00 -1.00 0.00 0.00 179.01 177.82 3gou h ALA 27 N 1.12 0.11 -0.61 3.43 0.00 -0.87 -2.24 119.26 120.21 3gou h ALA 27 Ca -0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 3gou h ALA 27 Cb 1.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3gou h ALA 27 CO 0.11 0.66 0.01 1.25 0.00 0.00 0.00 179.25 181.28 3gou h LEU 28 N 0.35 1.04 -1.08 0.00 6.46 -1.37 -2.02 115.31 118.69 3gou h LEU 28 Ca -0.13 -0.29 -0.07 0.00 -0.12 0.00 0.00 57.88 57.26 3gou h LEU 28 Cb 1.70 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 41.34 3gou h LEU 28 CO 0.20 1.08 -0.11 1.23 -0.62 0.00 0.00 178.44 180.23 3gou h GLY 29 N 1.00 0.57 1.67 3.75 0.00 -1.43 0.16 103.07 108.78 3gou h GLY 29 Ca 0.17 -0.39 -0.27 0.00 0.00 0.00 0.00 47.33 46.85 3gou h GLY 29 CO 0.03 0.36 -1.22 3.21 0.00 0.00 0.00 176.54 178.92 3gou h ARG 30 N 0.49 0.24 -0.27 4.80 3.08 -1.33 -1.80 114.38 119.59 3gou h ARG 30 Ca 0.09 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 3gou h ARG 30 Cb 0.48 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3gou h ARG 30 CO 0.03 1.19 -0.03 1.25 -1.07 0.00 0.00 179.97 181.34 3gou h LEU 31 N 0.06 0.38 -0.04 3.04 5.85 -1.06 0.28 115.31 123.83 3gou h LEU 31 Ca -0.12 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3gou h LEU 31 Cb 1.95 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 3gou h LEU 31 CO 0.19 0.47 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.67 3gou h LEU 32 N 0.40 0.09 -0.30 2.25 3.38 -0.64 -2.55 115.31 117.94 3gou h LEU 32 Ca 0.09 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 3gou h LEU 32 Cb 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gou h LEU 32 CO 0.01 0.51 0.08 0.40 0.09 0.00 0.00 178.44 179.53 3gou h ILE 33 N -0.32 1.21 0.02 1.22 2.04 -1.01 -3.30 117.51 117.37 3gou h ILE 33 Ca 0.01 -0.70 -0.20 0.00 1.00 0.00 0.00 64.86 64.97 3gou h ILE 33 Cb 0.48 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3gou h ILE 33 CO 0.01 0.23 -0.93 0.58 0.00 0.00 0.00 178.15 178.04 3gou h VAL 34 N 0.33 1.56 -2.36 1.67 2.07 -0.55 -3.37 116.25 115.60 3gou h VAL 34 Ca 0.10 -2.87 -0.60 0.00 0.82 0.00 0.00 66.70 64.15 3gou h VAL 34 Cb 0.27 2.61 -0.41 0.00 -1.52 0.00 0.00 31.29 32.24 3gou h VAL 34 CO -0.00 0.83 -0.73 -1.22 0.02 0.00 0.00 177.57 176.47 3gou n TYR 35 N -3.56 2.36 -0.22 1.57 4.01 -0.96 -4.97 117.16 115.38 3gou n TYR 35 Ca -0.03 -4.00 0.31 0.00 -0.16 0.00 0.00 57.90 54.02 3gou n TYR 35 Cb 0.85 -0.46 0.73 0.00 -0.31 0.00 0.00 39.34 40.16 3gou n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gou h PRO 36 N 4.52 0.00 0.00 -0.72 0.11 -1.74 0.41 132.00 134.59 3gou h PRO 36 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3gou h PRO 36 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3gou h PRO 36 CO 0.70 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.82 3gou n TRP 37 N -4.18 0.00 0.69 0.65 2.14 -1.26 -1.08 117.44 114.40 3gou n TRP 37 Ca 0.21 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.91 3gou n TRP 37 Cb 1.07 -0.26 0.42 0.00 -0.81 0.00 0.00 31.31 31.73 3gou n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3gou n THR 38 N -1.26 0.47 0.43 -1.67 -2.24 0.15 -3.48 114.28 106.68 3gou n THR 38 Ca 0.04 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.68 3gou n THR 38 Cb 0.06 -0.52 0.38 0.00 -2.10 0.00 0.00 70.33 68.15 3gou n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gou n GLN 39 N -2.11 0.09 -0.02 -0.78 6.02 -0.24 -2.72 117.38 117.61 3gou n GLN 39 Ca 0.06 0.34 0.23 0.00 -0.01 0.00 0.00 57.00 57.62 3gou n GLN 39 Cb 0.41 -1.67 0.72 0.00 1.02 0.00 0.00 30.24 30.72 3gou n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3gou h ARG 40 N 0.00 0.00 -0.34 -1.09 2.43 -1.77 -2.39 114.38 111.21 3gou h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gou h ARG 40 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3gou h ARG 40 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 3gou n PHE 41 N -4.10 0.44 -2.54 2.20 3.01 -1.10 -4.40 117.46 110.97 3gou n PHE 41 Ca 0.12 -0.22 -0.20 0.00 1.01 0.00 0.00 57.45 58.15 3gou n PHE 41 Cb 0.73 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.21 3gou n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3gou n PHE 42 N 1.12 2.60 1.96 1.38 3.01 -0.90 -4.85 117.46 121.78 3gou n PHE 42 Ca 0.18 -2.99 0.03 0.00 1.01 0.00 0.00 57.45 55.68 3gou n PHE 42 Cb 0.51 -0.19 0.16 0.00 -0.01 0.00 0.00 39.48 39.95 3gou n PHE 42 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gou n ASP 43 N -0.33 0.00 -0.38 4.37 10.43 -1.26 -2.61 116.55 126.77 3gou n ASP 43 Ca 0.28 -1.79 0.07 0.00 2.57 0.00 0.00 54.79 55.92 3gou n ASP 43 Cb 0.72 0.00 0.12 0.00 1.84 0.00 0.00 41.12 43.80 3gou n ASP 43 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 3gou n SER 44 N -0.59 1.63 -0.51 -2.24 3.41 -1.26 -4.75 113.62 109.31 3gou n SER 44 Ca 0.04 -2.94 0.08 0.00 -0.26 0.00 0.00 58.87 55.78 3gou n SER 44 Cb 0.02 -0.39 0.04 0.00 -0.26 0.00 0.00 64.21 63.61 3gou n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3gou n PHE 45 N -0.92 0.00 -4.08 7.33 3.72 -1.07 -5.07 117.46 117.36 3gou n PHE 45 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3gou n PHE 45 Cb 0.70 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3gou n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gou n GLY 46 N 0.98 0.10 3.72 1.37 0.00 -1.26 -4.82 105.19 105.27 3gou n GLY 46 Ca 0.08 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3gou n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gou s ASP 47 N -4.00 7.29 0.00 1.61 3.68 -1.26 -4.91 116.67 119.08 3gou s ASP 47 Ca 0.00 1.55 0.00 0.00 2.13 0.00 0.00 52.55 56.23 3gou s ASP 47 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.94 3gou s ASP 47 CO 0.00 -0.16 0.01 0.18 0.13 0.00 0.00 175.17 175.33 3gou n LEU 48 N 3.57 0.03 0.28 -1.34 4.77 -1.26 -4.46 117.00 118.58 3gou n LEU 48 Ca 0.03 -0.43 0.12 0.00 -0.03 0.00 0.00 56.01 55.69 3gou n LEU 48 Cb 0.51 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.23 3gou n LEU 48 CO 0.50 0.01 1.02 0.77 -1.33 0.00 0.00 177.39 178.36 3gou h SER 49 N 0.00 0.00 -4.43 -1.43 4.64 -1.93 -3.38 113.55 107.02 3gou h SER 49 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3gou h SER 49 Cb 0.00 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.85 3gou h SER 49 CO 0.00 0.00 -0.75 0.42 -0.87 0.00 0.00 176.83 175.63 3gou s THR 50 N -3.86 0.55 0.15 2.95 -4.23 -1.26 -5.02 115.64 104.92 3gou s THR 50 Ca -0.03 -0.78 -0.29 0.00 -1.18 0.00 0.00 61.69 59.42 3gou s THR 50 Cb 0.07 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.32 3gou s THR 50 CO 0.21 -0.18 1.56 -0.65 -0.54 0.00 0.00 174.62 175.02 3gou h PRO 51 N 5.06 -0.25 -0.51 3.99 0.11 -1.98 0.62 132.00 139.03 3gou h PRO 51 Ca -0.33 0.02 0.15 0.00 0.11 0.00 0.00 66.00 65.94 3gou h PRO 51 Cb 1.20 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3gou h PRO 51 CO 0.44 -0.17 0.43 0.38 -0.21 0.00 0.00 178.00 178.87 3gou h ASP 52 N -0.26 0.00 0.25 -2.05 2.03 -1.96 0.10 116.42 114.53 3gou h ASP 52 Ca 0.14 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.11 3gou h ASP 52 Cb 0.56 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.10 3gou h ASP 52 CO -0.69 0.00 -1.45 0.00 -1.03 0.00 0.00 179.24 176.07 3gou h ALA 53 N 1.62 -0.16 -0.43 4.15 0.00 -0.74 -3.24 119.26 120.47 3gou h ALA 53 Ca 0.24 -0.86 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 3gou h ALA 53 Cb 1.10 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3gou h ALA 53 CO -0.00 0.68 0.06 0.28 0.00 0.00 0.00 179.25 180.26 3gou h VAL 54 N 0.11 1.21 -0.27 0.00 2.07 0.67 -2.64 116.25 117.40 3gou h VAL 54 Ca -0.25 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3gou h VAL 54 Cb 2.14 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3gou h VAL 54 CO 0.27 0.28 0.00 0.23 0.02 0.00 0.00 177.57 178.37 3gou n MET 55 N -4.28 1.74 -0.00 1.57 2.81 0.30 -3.05 117.12 116.21 3gou n MET 55 Ca 0.03 -1.13 0.01 0.00 -1.81 0.00 0.00 57.70 54.79 3gou n MET 55 Cb 0.23 -1.31 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 3gou n MET 55 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3gou n SER 56 N 0.39 1.66 -4.53 7.83 7.64 -1.14 -5.02 113.62 120.45 3gou n SER 56 Ca 0.13 -0.35 -0.49 0.00 1.01 0.00 0.00 58.87 59.16 3gou n SER 56 Cb 0.29 1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 64.47 3gou n SER 56 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3gou n ASN 57 N -1.24 2.60 -0.30 6.43 2.85 -1.01 -4.83 115.26 119.76 3gou n ASN 57 Ca 0.00 0.51 -0.04 0.00 -0.11 0.00 0.00 54.58 54.94 3gou n ASN 57 Cb 0.04 -1.33 0.07 0.00 1.24 0.00 0.00 39.78 39.81 3gou n ASN 57 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gou h ALA 58 N 12.05 1.02 -0.24 5.20 0.00 -1.92 -0.99 119.26 134.39 3gou h ALA 58 Ca -0.35 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3gou h ALA 58 Cb 1.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gou h ALA 58 CO 0.99 0.43 -0.21 -0.22 0.00 0.00 0.00 179.25 180.24 3gou h LYS 59 N 1.09 0.58 -0.25 0.00 3.64 -1.88 0.22 116.57 119.97 3gou h LYS 59 Ca 0.30 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3gou h LYS 59 Cb -0.12 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.65 3gou h LYS 59 CO -0.07 0.88 -0.10 0.28 -2.27 0.00 0.00 179.45 178.18 3gou h VAL 60 N 0.29 0.67 -0.13 2.00 2.07 -1.82 0.41 116.25 119.73 3gou h VAL 60 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 3gou h VAL 60 Cb 0.76 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3gou h VAL 60 CO 0.05 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.59 3gou h LYS 61 N -0.05 -0.20 0.00 1.57 1.57 -0.98 -0.13 116.57 118.34 3gou h LYS 61 Ca 0.13 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 3gou h LYS 61 Cb 0.25 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3gou h LYS 61 CO -0.29 -0.13 -0.45 0.00 -0.57 0.00 0.00 179.45 178.01 3gou h ALA 62 N 0.84 0.92 0.00 3.86 0.00 -0.30 -2.89 119.26 121.69 3gou h ALA 62 Ca 0.10 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3gou h ALA 62 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3gou h ALA 62 CO -0.26 0.56 -0.53 1.25 0.00 0.00 0.00 179.25 180.28 3gou h HIS 63 N 0.00 0.00 -0.38 0.00 -0.00 0.02 -3.24 115.15 111.55 3gou h HIS 63 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3gou h HIS 63 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 3gou h HIS 63 CO 0.00 0.49 0.06 0.78 -0.00 0.00 0.00 177.93 179.27 3gou h GLY 64 N 3.52 0.67 0.16 5.26 0.00 -0.82 -2.67 103.07 109.19 3gou h GLY 64 Ca -0.01 -0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.02 3gou h GLY 64 CO 0.06 0.41 0.36 0.50 0.00 0.00 0.00 176.54 177.87 3gou h LYS 65 N 0.46 0.49 -0.86 4.80 1.79 -1.60 -1.37 116.57 120.29 3gou h LYS 65 Ca 0.11 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 3gou h LYS 65 Cb 0.36 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 3gou h LYS 65 CO 0.01 0.33 0.55 0.87 -1.08 0.00 0.00 179.45 180.12 3gou h LYS 66 N 0.51 1.03 -0.65 3.15 1.57 -1.51 -2.63 116.57 118.03 3gou h LYS 66 Ca 0.44 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3gou h LYS 66 Cb 0.66 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3gou h LYS 66 CO -0.39 0.68 0.14 0.28 -0.57 0.00 0.00 179.45 179.59 3gou h VAL 67 N 1.06 1.25 -0.46 0.50 2.07 -0.96 -2.96 116.25 116.74 3gou h VAL 67 Ca 0.35 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.96 3gou h VAL 67 Cb 0.03 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3gou h VAL 67 CO -0.12 0.36 0.19 -0.07 0.02 0.00 0.00 177.57 177.95 3gou h LEU 68 N 0.99 0.24 -1.08 2.57 3.38 -0.98 -2.80 115.31 117.63 3gou h LEU 68 Ca 0.21 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 3gou h LEU 68 Cb 0.37 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3gou h LEU 68 CO 0.00 0.17 0.08 0.78 0.09 0.00 0.00 178.44 179.57 3gou h ASN 69 N 0.39 0.69 0.91 -0.43 4.21 -1.33 1.19 115.58 121.19 3gou h ASN 69 Ca 0.21 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 3gou h ASN 69 Cb 0.18 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.19 3gou h ASN 69 CO -0.19 0.71 -0.16 0.77 -1.29 0.00 0.00 177.43 177.26 3gou h SER 70 N 0.71 0.00 -0.03 5.81 4.64 -1.48 0.65 113.55 123.85 3gou h SER 70 Ca 0.15 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 3gou h SER 70 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3gou h SER 70 CO 0.00 0.16 -0.33 -0.26 -0.87 0.00 0.00 176.83 175.54 3gou h PHE 71 N 0.00 0.38 -0.77 4.77 -1.00 0.30 -0.16 116.94 120.47 3gou h PHE 71 Ca -0.00 -0.19 0.13 0.00 2.81 0.00 0.00 57.97 60.72 3gou h PHE 71 Cb 0.66 -0.05 -0.09 0.00 3.61 0.00 0.00 35.95 40.08 3gou h PHE 71 CO 0.00 0.96 0.35 0.77 -1.61 0.00 0.00 178.31 178.78 3gou h SER 72 N -0.31 0.39 -0.62 2.17 0.02 0.18 0.84 113.55 116.21 3gou h SER 72 Ca -0.03 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3gou h SER 72 Cb 1.03 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3gou h SER 72 CO 0.07 0.17 0.24 0.44 -1.14 0.00 0.00 176.83 176.60 3gou h ASP 73 N 0.53 0.89 -0.37 3.07 3.45 0.28 -2.27 116.42 122.00 3gou h ASP 73 Ca 0.41 -0.13 -0.13 0.00 0.43 0.00 0.00 57.03 57.61 3gou h ASP 73 Cb 0.58 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 3gou h ASP 73 CO -0.36 0.81 -0.23 1.23 -1.57 0.00 0.00 179.24 179.12 3gou h GLY 74 N 1.04 0.95 2.00 2.75 0.00 0.45 -3.21 103.07 107.05 3gou h GLY 74 Ca 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3gou h GLY 74 CO -0.02 0.76 0.00 1.04 0.00 0.00 0.00 176.54 178.32 3gou n LEU 75 N -4.10 0.49 -1.02 3.11 4.32 0.28 -1.58 117.00 118.49 3gou n LEU 75 Ca -0.00 0.63 0.09 0.00 -0.02 0.00 0.00 56.01 56.71 3gou n LEU 75 Cb 0.45 -0.57 0.24 0.00 -1.62 0.00 0.00 43.42 41.92 3gou n LEU 75 CO 0.46 -0.51 0.70 0.29 -1.22 0.00 0.00 177.39 177.11 3gou n LYS 76 N -2.05 2.69 -2.75 3.23 5.02 -0.99 -4.54 118.16 118.77 3gou n LYS 76 Ca 0.02 -2.33 -0.01 0.00 -2.02 0.00 0.00 58.31 53.96 3gou n LYS 76 Cb 0.20 -1.43 0.09 0.00 -0.02 0.00 0.00 35.03 33.87 3gou n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gou n ASN 77 N 1.15 -0.00 0.18 4.39 3.02 -0.61 -4.92 115.26 118.46 3gou n ASN 77 Ca 0.18 -2.14 0.18 0.00 -0.03 0.00 0.00 54.58 52.78 3gou n ASN 77 Cb 0.53 0.13 0.81 0.00 -0.61 0.00 0.00 39.78 40.63 3gou n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3gou h LEU 78 N 1.81 0.00 -0.39 3.41 3.38 -1.76 0.15 115.31 121.91 3gou h LEU 78 Ca -0.30 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 3gou h LEU 78 Cb 1.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 3gou h LEU 78 CO -0.00 0.00 -0.75 0.44 0.09 0.00 0.00 178.44 178.22 3gou h ASP 79 N 0.00 0.00 -1.66 -0.43 3.45 -1.91 -3.34 116.42 112.52 3gou h ASP 79 Ca 0.12 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 57.08 3gou h ASP 79 Cb 0.70 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 39.06 3gou h ASP 79 CO -0.00 0.75 -0.97 -3.20 -1.57 0.00 0.00 179.24 174.25 3gou n ASN 80 N -3.54 2.70 -0.23 6.45 5.15 0.01 -4.86 115.26 120.95 3gou n ASN 80 Ca -0.00 -3.24 -0.06 0.00 -0.60 0.00 0.00 54.58 50.68 3gou n ASN 80 Cb 0.76 -0.54 0.04 0.00 -0.53 0.00 0.00 39.78 39.50 3gou n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3gou h LEU 81 N 2.90 0.83 -1.12 1.20 4.07 -1.60 -0.16 115.31 121.43 3gou h LEU 81 Ca 0.10 -0.11 0.14 0.00 0.08 0.00 0.00 57.88 58.09 3gou h LEU 81 Cb 0.92 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 42.36 3gou h LEU 81 CO 0.65 0.70 0.61 0.11 -1.08 0.00 0.00 178.44 179.43 3gou h LYS 82 N 0.89 0.81 0.00 1.13 6.56 -1.90 -0.77 116.57 123.30 3gou h LYS 82 Ca 0.22 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 3gou h LYS 82 Cb 0.08 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 3gou h LYS 82 CO -0.03 0.54 -0.00 0.78 -2.06 0.00 0.00 179.45 178.67 3gou h GLY 83 N 0.84 -0.00 -0.24 3.86 0.00 -1.82 -2.85 103.07 102.85 3gou h GLY 83 Ca 0.50 0.00 0.21 0.00 0.00 0.00 0.00 47.33 48.04 3gou h GLY 83 CO -0.26 -0.00 0.32 -0.84 0.00 0.00 0.00 176.54 175.75 3gou h THR 84 N -1.00 0.44 -0.67 4.70 2.02 -1.01 -1.68 112.91 115.71 3gou h THR 84 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3gou h THR 84 Cb 0.60 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3gou h THR 84 CO 0.00 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.44 3gou n PHE 85 N -5.11 1.43 -0.01 3.16 3.01 -0.30 -4.50 117.46 115.14 3gou n PHE 85 Ca 0.20 -0.58 -0.10 0.00 1.01 0.00 0.00 57.45 57.98 3gou n PHE 85 Cb 0.63 -0.21 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 3gou n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gou h ALA 86 N 4.20 0.15 0.00 4.37 0.00 -1.04 -2.39 119.26 124.55 3gou h ALA 86 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3gou h ALA 86 Cb 1.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3gou h ALA 86 CO 0.20 -0.38 -0.72 -0.22 0.00 0.00 0.00 179.25 178.14 3gou h LYS 87 N 0.14 0.00 0.00 0.00 1.63 -1.79 -2.53 116.57 114.03 3gou h LYS 87 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3gou h LYS 87 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3gou h LYS 87 CO -0.03 0.71 0.00 -0.07 -3.45 0.00 0.00 179.45 176.61 3gou h LEU 88 N 0.00 0.00 0.29 5.20 3.38 -1.85 -2.89 115.31 119.45 3gou h LEU 88 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3gou h LEU 88 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3gou h LEU 88 CO 0.09 0.00 -0.14 0.28 0.09 0.00 0.00 178.44 178.76 3gou h SER 89 N 0.00 -0.33 -0.42 -0.43 0.02 -0.97 -1.62 113.55 109.81 3gou h SER 89 Ca 0.00 -0.15 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3gou h SER 89 Cb 0.61 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.14 3gou h SER 89 CO 0.00 -0.02 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.02 3gou h GLU 90 N -0.65 -0.23 0.26 3.45 5.08 -1.52 0.87 114.58 121.84 3gou h GLU 90 Ca -0.04 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3gou h GLU 90 Cb 0.46 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 3gou h GLU 90 CO 0.07 -0.15 -0.42 1.25 -1.00 0.00 0.00 179.01 178.75 3gou h LEU 91 N -0.24 -1.20 -1.60 1.33 5.85 -1.52 0.79 115.31 118.72 3gou h LEU 91 Ca 0.18 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3gou h LEU 91 Cb 0.53 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3gou h LEU 91 CO -0.55 -0.53 -0.18 0.45 -0.34 0.00 0.00 178.44 177.29 3gou h HIS 92 N -0.75 0.00 0.00 1.25 3.86 -0.90 0.41 115.15 119.02 3gou h HIS 92 Ca -0.01 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.98 3gou h HIS 92 Cb 0.72 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.15 3gou h HIS 92 CO -0.30 0.18 -1.85 0.00 0.86 0.00 0.00 177.93 176.82 3gou n ASP 94 N -2.90 0.84 -0.10 0.00 10.43 0.27 -4.08 116.55 121.01 3gou n ASP 94 Ca -0.26 0.33 -0.19 0.00 2.57 0.00 0.00 54.79 57.23 3gou n ASP 94 Cb 0.79 0.04 -0.08 0.00 1.84 0.00 0.00 41.12 43.72 3gou n ASP 94 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3gou n LYS 95 N -3.03 0.45 -0.05 -1.24 0.00 -0.57 -4.73 118.16 108.99 3gou n LYS 95 Ca -0.21 0.17 -0.13 0.00 0.00 0.00 0.00 58.31 58.14 3gou n LYS 95 Cb 1.07 -1.29 -0.14 0.00 0.00 0.00 0.00 35.03 34.67 3gou n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3gou n LEU 96 N -3.64 1.33 -3.06 3.14 4.77 0.09 -5.00 117.00 114.63 3gou n LEU 96 Ca -0.39 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.57 3gou n LEU 96 Cb 0.82 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.79 3gou n LEU 96 CO 0.08 0.60 0.18 1.41 -1.33 0.00 0.00 177.39 178.33 3gou n HIS 97 N -3.09 -2.36 -1.84 -1.77 8.25 -0.65 -4.96 115.22 108.80 3gou n HIS 97 Ca -0.29 0.81 -0.42 0.00 -0.26 0.00 0.00 57.72 57.56 3gou n HIS 97 Cb 1.07 -4.38 -0.03 0.00 1.12 0.00 0.00 29.99 27.78 3gou n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gou s VAL 98 N -3.25 3.12 0.32 1.59 1.01 -0.55 -4.94 120.40 117.70 3gou s VAL 98 Ca 0.47 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 3gou s VAL 98 Cb -0.21 -3.22 -0.13 0.00 0.00 0.00 0.00 36.38 32.82 3gou s VAL 98 CO 0.58 -0.02 1.21 -0.67 0.00 0.00 0.00 175.10 176.20 3gou n ASP 99 N 6.64 2.27 0.18 3.32 2.03 -1.26 -4.79 116.55 124.94 3gou n ASP 99 Ca 0.18 1.19 0.14 0.00 0.52 0.00 0.00 54.79 56.82 3gou n ASP 99 Cb 0.41 -1.41 0.59 0.00 -0.72 0.00 0.00 41.12 39.99 3gou n ASP 99 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3gou h PRO 100 N 2.49 0.00 -0.05 -0.67 0.11 -1.96 -2.80 132.00 129.12 3gou h PRO 100 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3gou h PRO 100 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 3gou h PRO 100 CO 0.63 0.00 -0.21 1.49 -0.21 0.00 0.00 178.00 179.70 3gou h GLU 101 N 0.00 0.09 0.00 1.05 4.57 -1.99 -0.42 114.58 117.88 3gou h GLU 101 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3gou h GLU 101 Cb 0.33 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3gou h GLU 101 CO 0.00 0.30 0.00 0.09 -1.18 0.00 0.00 179.01 178.22 3gou n ASN 102 N -4.26 0.00 -0.03 1.04 4.13 -1.06 -2.03 115.26 113.06 3gou n ASN 102 Ca -0.02 0.17 -0.13 0.00 1.68 0.00 0.00 54.58 56.28 3gou n ASN 102 Cb 0.29 -0.38 -0.09 0.00 -1.54 0.00 0.00 39.78 38.06 3gou n ASN 102 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3gou h PHE 103 N 0.00 0.22 0.00 3.10 0.04 -1.23 -2.25 116.94 116.82 3gou h PHE 103 Ca 0.00 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3gou h PHE 103 Cb 0.35 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3gou h PHE 103 CO 0.00 0.64 -0.12 -0.22 -0.60 0.00 0.00 178.31 178.01 3gou h LYS 104 N -0.26 0.00 0.00 1.51 3.64 -1.53 -1.29 116.57 118.64 3gou h LYS 104 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3gou h LYS 104 Cb 0.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3gou h LYS 104 CO 0.02 0.12 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.25 3gou h LEU 105 N 0.00 -0.01 -1.34 5.20 3.38 -1.39 -2.70 115.31 118.46 3gou h LEU 105 Ca -0.00 -0.75 0.01 0.00 0.09 0.00 0.00 57.88 57.23 3gou h LEU 105 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3gou h LEU 105 CO 0.02 0.75 0.45 0.25 0.09 0.00 0.00 178.44 180.00 3gou h LEU 106 N -0.77 0.76 0.11 1.67 5.85 -1.25 -1.74 115.31 119.94 3gou h LEU 106 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3gou h LEU 106 Cb 0.75 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3gou h LEU 106 CO 0.00 0.55 -0.05 1.23 -0.34 0.00 0.00 178.44 179.83 3gou h GLY 107 N 0.90 -0.15 1.06 3.75 0.00 -1.30 -1.58 103.07 105.74 3gou h GLY 107 Ca 0.25 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3gou h GLY 107 CO -0.06 -0.06 0.48 3.43 0.00 0.00 0.00 176.54 180.34 3gou h ASN 108 N -0.20 1.11 1.60 0.19 -0.26 -1.05 -1.50 115.58 115.46 3gou h ASN 108 Ca -0.01 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 3gou h ASN 108 Cb 0.16 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.14 3gou h ASN 108 CO 0.02 0.89 0.00 1.62 -1.06 0.00 0.00 177.43 178.90 3gou h VAL 109 N 1.24 0.00 -0.52 2.81 3.04 -1.30 -1.47 116.25 120.06 3gou h VAL 109 Ca 0.31 -0.77 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3gou h VAL 109 Cb 0.03 1.76 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 3gou h VAL 109 CO -0.05 0.00 0.33 0.25 -1.01 0.00 0.00 177.57 177.09 3gou h LEU 110 N 0.00 0.61 -1.95 3.16 6.46 -0.27 -2.38 115.31 120.93 3gou h LEU 110 Ca 0.00 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3gou h LEU 110 Cb 0.80 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3gou h LEU 110 CO 0.00 0.45 -0.07 0.58 -0.62 0.00 0.00 178.44 178.79 3gou h VAL 111 N 0.70 0.94 -0.47 1.05 2.07 -0.67 -0.14 116.25 119.73 3gou h VAL 111 Ca 0.19 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 3gou h VAL 111 Cb -0.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3gou h VAL 111 CO -0.04 0.07 -0.21 0.00 0.02 0.00 0.00 177.57 177.41 3gou h VAL 113 N 0.83 1.35 -0.42 0.00 2.07 -0.57 0.14 116.25 119.65 3gou h VAL 113 Ca 0.11 -1.54 0.09 0.00 0.82 0.00 0.00 66.70 66.18 3gou h VAL 113 Cb 0.77 1.96 -0.09 0.00 -1.52 0.00 0.00 31.29 32.41 3gou h VAL 113 CO 0.06 0.46 -0.18 -0.07 0.02 0.00 0.00 177.57 177.87 3gou h LEU 114 N 0.11 -0.62 -0.99 2.57 3.38 -1.21 -0.40 115.31 118.15 3gou h LEU 114 Ca 0.01 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3gou h LEU 114 Cb 0.88 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 3gou h LEU 114 CO 0.07 -0.21 0.62 0.00 0.09 0.00 0.00 178.44 179.01 3gou h ALA 115 N 1.22 1.44 -0.26 1.53 0.00 -1.18 -0.75 119.26 121.27 3gou h ALA 115 Ca 0.20 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 3gou h ALA 115 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gou h ALA 115 CO -0.48 0.29 -0.54 1.25 0.00 0.00 0.00 179.25 179.77 3gou h HIS 116 N 1.04 0.95 0.03 0.00 -0.00 0.64 -2.05 115.15 115.77 3gou h HIS 116 Ca 0.46 -0.33 -0.25 0.00 -0.00 0.00 0.00 60.37 60.25 3gou h HIS 116 Cb 0.36 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.60 3gou h HIS 116 CO -0.01 1.13 -1.04 0.45 -0.00 0.00 0.00 177.93 178.46 3gou h HIS 117 N 0.59 0.73 0.00 5.26 -0.00 -0.94 -3.38 115.15 117.41 3gou h HIS 117 Ca 0.02 -0.42 -0.18 0.00 -0.00 0.00 0.00 60.37 59.78 3gou h HIS 117 Cb 1.12 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.42 3gou h HIS 117 CO 0.06 1.26 -1.59 1.19 -0.00 0.00 0.00 177.93 178.85 3gou n PHE 118 N -3.75 0.78 0.00 2.45 3.01 -0.30 -5.01 117.46 114.63 3gou n PHE 118 Ca -0.09 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3gou n PHE 118 Cb 0.89 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 3gou n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gou n GLY 119 N 1.43 3.45 0.40 1.37 0.00 -0.77 -3.31 105.19 107.76 3gou n GLY 119 Ca -0.12 0.24 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 3gou n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gou h LYS 120 N 0.00 -0.02 -0.20 1.61 1.79 -1.95 -1.12 116.57 116.69 3gou h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gou h LYS 120 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3gou h LYS 120 CO 0.00 -0.01 0.00 -0.85 -1.08 0.00 0.00 179.45 177.51 3gou n GLU 121 N -5.40 1.26 -2.75 3.15 0.28 -1.21 -3.78 120.64 112.19 3gou n GLU 121 Ca 0.07 -0.35 -0.43 0.00 -0.16 0.00 0.00 57.16 56.29 3gou n GLU 121 Cb 0.35 -1.14 0.01 0.00 1.43 0.00 0.00 31.44 32.09 3gou n GLU 121 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3gou n PHE 122 N -0.18 2.61 -1.51 -1.84 7.35 -0.42 -4.96 117.46 118.50 3gou n PHE 122 Ca 0.03 -2.70 -0.34 0.00 -0.76 0.00 0.00 57.45 53.69 3gou n PHE 122 Cb 0.12 -1.55 0.08 0.00 0.35 0.00 0.00 39.48 38.48 3gou n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3gou s THR 123 N -1.47 2.51 0.43 -2.13 -4.23 -1.25 -4.72 115.64 104.79 3gou s THR 123 Ca 0.34 0.25 0.23 0.00 -1.18 0.00 0.00 61.69 61.34 3gou s THR 123 Cb 0.06 -2.81 0.43 0.00 1.34 0.00 0.00 72.50 71.53 3gou s THR 123 CO 0.06 -0.14 1.78 -0.65 -0.54 0.00 0.00 174.62 175.13 3gou h PRO 124 N -0.20 0.28 0.22 3.99 0.11 -1.96 -0.46 132.00 133.97 3gou h PRO 124 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3gou h PRO 124 Cb 1.28 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3gou h PRO 124 CO 0.51 0.18 -0.24 1.96 -0.21 0.00 0.00 178.00 180.20 3gou h GLN 125 N 0.28 -0.47 -0.38 1.05 7.50 -2.00 -1.16 115.11 119.93 3gou h GLN 125 Ca 0.59 0.03 0.07 0.00 0.50 0.00 0.00 58.65 59.84 3gou h GLN 125 Cb 1.71 0.11 -0.06 0.00 0.05 0.00 0.00 27.48 29.29 3gou h GLN 125 CO -0.23 -0.32 0.02 0.28 -1.50 0.00 0.00 178.83 177.09 3gou h VAL 126 N -0.49 0.74 -0.39 -0.54 2.07 -1.55 -2.81 116.25 113.28 3gou h VAL 126 Ca 0.00 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3gou h VAL 126 Cb 0.47 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3gou h VAL 126 CO -0.07 0.02 0.23 -0.61 0.02 0.00 0.00 177.57 177.17 3gou h GLN 127 N 0.13 0.45 -0.54 1.57 4.15 -0.80 -1.63 115.11 118.45 3gou h GLN 127 Ca 0.19 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.69 3gou h GLN 127 Cb 0.25 -0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.74 3gou h GLN 127 CO -0.29 0.30 -0.07 0.00 -1.93 0.00 0.00 178.83 176.84 3gou h ALA 128 N 1.17 0.44 -0.80 3.38 0.00 -1.09 0.10 119.26 122.47 3gou h ALA 128 Ca 0.15 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.32 3gou h ALA 128 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3gou h ALA 128 CO -0.07 -0.42 0.49 0.00 0.00 0.00 0.00 179.25 179.25 3gou h ALA 129 N 1.52 1.10 0.00 0.00 0.00 -1.07 -1.85 119.26 118.95 3gou h ALA 129 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gou h ALA 129 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gou h ALA 129 CO -0.51 0.20 0.00 1.88 0.00 0.00 0.00 179.25 180.82 3gou h TYR 130 N 0.88 0.00 -0.05 0.00 0.05 -0.48 -2.00 116.97 115.37 3gou h TYR 130 Ca 0.36 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.01 3gou h TYR 130 Cb 0.19 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.93 3gou h TYR 130 CO -0.05 0.00 -0.47 1.96 -1.05 0.00 0.00 178.16 178.56 3gou h GLN 131 N 0.00 0.41 -0.72 4.88 1.08 -0.07 -0.83 115.11 119.86 3gou h GLN 131 Ca 0.00 -0.37 0.13 0.00 -1.45 0.00 0.00 58.65 56.96 3gou h GLN 131 Cb 0.83 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 28.26 3gou h GLN 131 CO 0.00 1.02 0.26 0.87 -0.95 0.00 0.00 178.83 180.03 3gou h LYS 132 N -0.08 0.39 -0.53 1.46 1.57 -1.09 0.28 116.57 118.57 3gou h LYS 132 Ca -0.04 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3gou h LYS 132 Cb 1.15 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3gou h LYS 132 CO 0.09 0.26 -0.01 0.28 -0.57 0.00 0.00 179.45 179.51 3gou h VAL 133 N 0.40 1.26 0.07 0.50 2.07 -1.35 -2.78 116.25 116.44 3gou h VAL 133 Ca 0.39 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3gou h VAL 133 Cb 0.58 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3gou h VAL 133 CO -0.40 0.39 -0.04 0.58 0.02 0.00 0.00 177.57 178.13 3gou h VAL 134 N 0.82 1.06 -0.70 2.57 2.07 -0.35 -2.76 116.25 118.95 3gou h VAL 134 Ca 0.15 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.29 3gou h VAL 134 Cb 0.54 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3gou h VAL 134 CO 0.03 0.12 0.46 0.00 0.02 0.00 0.00 177.57 178.20 3gou h ALA 135 N 0.60 1.85 0.09 1.67 0.00 -0.47 -1.16 119.26 121.84 3gou h ALA 135 Ca -0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 3gou h ALA 135 Cb 0.27 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.94 3gou h ALA 135 CO 0.02 0.01 -1.18 0.78 0.00 0.00 0.00 179.25 178.88 3gou h GLY 136 N 0.61 0.58 1.01 0.00 0.00 -1.50 -2.74 103.07 101.03 3gou h GLY 136 Ca 0.32 -1.20 0.01 0.00 0.00 0.00 0.00 47.33 46.46 3gou h GLY 136 CO -0.11 1.05 0.64 -2.08 0.00 0.00 0.00 176.54 176.05 3gou h VAL 137 N 0.23 1.26 -0.63 4.60 2.07 -1.10 0.11 116.25 122.79 3gou h VAL 137 Ca -0.15 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3gou h VAL 137 Cb 1.85 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3gou h VAL 137 CO 0.22 0.25 0.24 0.00 0.02 0.00 0.00 177.57 178.30 3gou h ALA 138 N 1.36 0.82 -0.29 1.67 0.00 -1.21 -1.05 119.26 120.56 3gou h ALA 138 Ca 0.36 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3gou h ALA 138 Cb -0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3gou h ALA 138 CO -0.08 0.45 -0.41 -0.91 0.00 0.00 0.00 179.25 178.31 3gou h ASN 139 N 0.89 0.75 -0.35 0.00 4.21 -1.29 -0.84 115.58 118.95 3gou h ASN 139 Ca 0.21 -0.34 0.05 0.00 1.21 0.00 0.00 56.30 57.43 3gou h ASN 139 Cb 0.23 -0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.17 3gou h ASN 139 CO -0.01 1.06 0.05 0.00 -1.29 0.00 0.00 177.43 177.24 3gou h ALA 140 N 0.97 0.35 -0.18 -0.83 0.00 -0.59 -2.16 119.26 116.84 3gou h ALA 140 Ca 0.05 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3gou h ALA 140 Cb 0.94 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3gou h ALA 140 CO 0.09 -0.35 -0.26 -0.07 0.00 0.00 0.00 179.25 178.65 3gou h LEU 141 N 0.16 0.32 -1.21 0.00 4.07 -0.98 -2.92 115.31 114.77 3gou h LEU 141 Ca 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3gou h LEU 141 Cb 0.20 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.85 3gou h LEU 141 CO -0.23 0.59 0.00 0.00 -1.08 0.00 0.00 178.44 177.72 3gou n ALA 142 N -2.48 2.47 -0.17 1.53 0.00 -0.34 -4.47 120.51 117.04 3gou n ALA 142 Ca -0.01 -0.57 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 3gou n ALA 142 Cb 0.39 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.84 3gou n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gou h HIS 143 N 2.03 0.74 0.00 0.00 6.17 -1.19 -1.25 115.15 121.65 3gou h HIS 143 Ca 0.00 -0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.01 3gou h HIS 143 Cb 0.46 -0.23 -0.00 0.00 2.52 0.00 0.00 27.41 30.16 3gou h HIS 143 CO 0.19 0.60 -0.12 0.87 0.71 0.00 0.00 177.93 180.18 3gou h LYS 144 N 0.66 0.00 0.00 5.26 6.56 -1.84 0.29 116.57 127.51 3gou h LYS 144 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 3gou h LYS 144 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 3gou h LYS 144 CO -0.02 0.12 0.00 1.88 -2.06 0.00 0.00 179.45 179.37 3gou h TYR 145 N 0.00 0.00 -0.01 -1.35 0.05 -1.57 -3.51 116.97 110.59 3gou h TYR 145 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3gou h TYR 145 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3gou h TYR 145 CO 0.00 0.00 0.00 0.72 -1.05 0.00 0.00 178.16 177.83