#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gou h HIS 2 N 0.00 0.00 -6.37 1.45 2.76 -1.96 -3.49 115.15 107.54 3gou h HIS 2 Ca 0.00 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.81 3gou h HIS 2 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 3gou h HIS 2 CO 0.00 0.66 -0.80 1.28 -1.30 0.00 0.00 177.93 177.77 3gou n LEU 3 N -4.65 -3.23 -2.71 0.26 4.77 -1.26 -4.83 117.00 105.35 3gou n LEU 3 Ca -0.08 -0.72 -0.34 0.00 -0.03 0.00 0.00 56.01 54.84 3gou n LEU 3 Cb 0.32 -2.09 -0.04 0.00 -2.33 0.00 0.00 43.42 39.29 3gou n LEU 3 CO 0.20 -0.03 0.23 0.35 -1.33 0.00 0.00 177.39 176.81 3gou n THR 4 N -2.39 0.41 -0.10 -5.08 -2.24 -1.26 -3.65 114.28 99.97 3gou n THR 4 Ca -0.23 -0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3gou n THR 4 Cb 0.64 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 69.06 3gou n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gou n ALA 5 N 0.60 0.43 0.00 6.98 0.00 -1.26 0.36 120.51 127.62 3gou n ALA 5 Ca 0.12 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 3gou n ALA 5 Cb 0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.14 3gou n ALA 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gou h GLU 6 N 0.00 0.22 -0.78 0.00 4.81 -1.99 -3.28 114.58 113.55 3gou h GLU 6 Ca 0.21 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 3gou h GLU 6 Cb 1.23 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 3gou h GLU 6 CO -0.00 1.18 0.32 0.93 -0.73 0.00 0.00 179.01 180.71 3gou h GLU 7 N -0.46 1.15 -0.75 1.92 5.08 0.61 0.33 114.58 122.46 3gou h GLU 7 Ca -0.22 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.00 3gou h GLU 7 Cb 1.60 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 3gou h GLU 7 CO 0.06 0.93 0.45 0.87 -1.00 0.00 0.00 179.01 180.32 3gou h LYS 8 N 1.12 0.81 0.00 2.33 1.57 -1.01 -0.58 116.57 120.80 3gou h LYS 8 Ca 0.26 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 3gou h LYS 8 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3gou h LYS 8 CO -0.02 0.53 -0.36 0.77 -0.57 0.00 0.00 179.45 179.80 3gou h SER 9 N 0.83 0.00 0.64 0.86 0.02 -1.41 -2.02 113.55 112.47 3gou h SER 9 Ca 0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3gou h SER 9 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.69 3gou h SER 9 CO -0.17 0.36 -0.11 0.25 -1.14 0.00 0.00 176.83 176.03 3gou h LEU 10 N 0.00 0.00 0.03 5.07 5.85 0.38 -1.82 115.31 124.83 3gou h LEU 10 Ca -0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 3gou h LEU 10 Cb 1.08 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3gou h LEU 10 CO 0.05 0.11 -1.56 0.52 -0.34 0.00 0.00 178.44 177.21 3gou n VAL 11 N -3.37 1.60 0.13 1.05 0.31 -0.30 -3.74 118.33 114.01 3gou n VAL 11 Ca -0.01 -0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 3gou n VAL 11 Cb 0.29 -1.94 0.13 0.00 -0.91 0.00 0.00 33.84 31.41 3gou n VAL 11 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3gou h SER 12 N -0.69 0.00 -0.66 4.52 4.64 -1.54 -0.10 113.55 119.72 3gou h SER 12 Ca -0.40 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.99 3gou h SER 12 Cb 1.53 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.53 3gou h SER 12 CO -0.14 0.66 -0.55 1.23 -0.87 0.00 0.00 176.83 177.15 3gou h GLY 13 N 2.15 -0.99 0.98 -0.77 0.00 -1.50 0.60 103.07 103.55 3gou h GLY 13 Ca -0.01 0.77 -0.07 0.00 0.00 0.00 0.00 47.33 48.02 3gou h GLY 13 CO 0.09 -0.07 0.02 -2.00 0.00 0.00 0.00 176.54 174.58 3gou h LEU 14 N -0.20 0.78 -0.28 3.11 7.12 -1.61 -3.15 115.31 121.08 3gou h LEU 14 Ca 0.11 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.83 3gou h LEU 14 Cb 0.49 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 3gou h LEU 14 CO -0.73 0.88 0.00 1.87 -0.13 0.00 0.00 178.44 180.33 3gou n TRP 15 N -4.39 0.83 -0.21 1.25 -0.00 -0.06 -2.72 117.44 112.15 3gou n TRP 15 Ca 0.00 0.28 -0.06 0.00 -0.00 0.00 0.00 57.50 57.72 3gou n TRP 15 Cb 0.29 -0.95 0.09 0.00 -0.00 0.00 0.00 31.31 30.74 3gou n TRP 15 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 3gou h GLY 16 N 3.61 1.11 -3.03 5.87 0.00 -0.85 -2.88 103.07 106.88 3gou h GLY 16 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 47.33 46.33 3gou h GLY 16 CO 0.00 0.66 0.26 0.58 0.00 0.00 0.00 176.54 178.04 3gou n LYS 17 N -4.23 2.48 -2.51 4.80 2.85 -1.10 -4.96 118.16 115.50 3gou n LYS 17 Ca 0.04 -3.08 -0.34 0.00 -1.05 0.00 0.00 58.31 53.88 3gou n LYS 17 Cb 0.27 -2.03 -0.03 0.00 -0.65 0.00 0.00 35.03 32.59 3gou n LYS 17 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3gou s VAL 18 N -3.18 3.70 -1.02 0.58 1.01 -1.09 -4.98 120.40 115.42 3gou s VAL 18 Ca 0.51 1.07 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 3gou s VAL 18 Cb 0.43 -3.44 0.20 0.00 0.00 0.00 0.00 36.38 33.58 3gou s VAL 18 CO 0.07 -0.22 1.11 0.21 0.00 0.00 0.00 175.10 176.28 3gou s ASN 19 N -1.93 6.96 0.48 3.32 3.84 -1.26 -4.93 114.94 121.42 3gou s ASN 19 Ca 0.68 -2.85 0.34 0.00 0.21 0.00 0.00 52.86 51.24 3gou s ASN 19 Cb -0.18 -2.30 1.47 0.00 -0.55 0.00 0.00 41.25 39.69 3gou s ASN 19 CO 0.21 -0.66 1.69 -0.37 -2.79 0.00 0.00 177.10 175.18 3gou h VAL 20 N 4.72 0.24 -0.27 -5.21 -1.51 -1.96 0.04 116.25 112.31 3gou h VAL 20 Ca 0.19 -0.03 -0.19 0.00 -1.23 0.00 0.00 66.70 65.44 3gou h VAL 20 Cb 0.95 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 3gou h VAL 20 CO 1.03 0.02 -0.56 0.44 -1.23 0.00 0.00 177.57 177.26 3gou h ASP 21 N 0.10 0.95 0.00 4.19 3.45 -1.97 -3.39 116.42 119.75 3gou h ASP 21 Ca 0.74 -0.52 -0.23 0.00 0.43 0.00 0.00 57.03 57.46 3gou h ASP 21 Cb 2.56 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 41.02 3gou h ASP 21 CO -0.20 1.31 -1.99 -0.62 -1.57 0.00 0.00 179.24 176.16 3gou n GLU 22 N -4.00 1.31 -0.07 3.56 1.02 -0.07 -4.67 120.64 117.72 3gou n GLU 22 Ca -0.04 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.95 3gou n GLU 22 Cb 0.64 -1.39 -0.05 0.00 -0.02 0.00 0.00 31.44 30.62 3gou n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gou h VAL 23 N 0.00 1.24 -0.37 2.62 2.07 -1.54 -2.77 116.25 117.49 3gou h VAL 23 Ca -0.34 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3gou h VAL 23 Cb 1.72 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3gou h VAL 23 CO 0.02 0.25 0.15 1.23 0.02 0.00 0.00 177.57 179.24 3gou h GLY 24 N 0.15 0.60 2.00 2.17 0.00 -1.76 -1.13 103.07 105.10 3gou h GLY 24 Ca 0.06 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3gou h GLY 24 CO 0.01 0.30 -0.36 -1.33 0.00 0.00 0.00 176.54 175.16 3gou h GLY 25 N 0.46 0.00 0.99 4.60 0.00 -1.67 -2.47 103.07 104.98 3gou h GLY 25 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.31 3gou h GLY 25 CO -0.01 0.00 -0.43 -2.09 0.00 0.00 0.00 176.54 174.01 3gou h GLU 26 N 0.00 0.69 -0.26 4.80 4.81 -1.00 -0.24 114.58 123.38 3gou h GLU 26 Ca -0.00 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 58.65 3gou h GLU 26 Cb 0.77 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3gou h GLU 26 CO 0.05 1.06 -0.39 0.00 -0.73 0.00 0.00 179.01 179.00 3gou h ALA 27 N 0.62 0.39 -0.18 2.92 0.00 -1.15 -2.24 119.26 119.62 3gou h ALA 27 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3gou h ALA 27 Cb 1.03 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3gou h ALA 27 CO 0.10 0.49 -0.04 1.25 0.00 0.00 0.00 179.25 181.04 3gou h LEU 28 N 0.44 0.25 -0.23 0.00 7.12 -1.49 -1.38 115.31 120.02 3gou h LEU 28 Ca 0.02 -0.04 -0.21 0.00 0.13 0.00 0.00 57.88 57.79 3gou h LEU 28 Cb 0.98 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 3gou h LEU 28 CO 0.09 0.33 -0.91 1.23 -0.13 0.00 0.00 178.44 179.05 3gou h GLY 29 N 0.62 0.25 1.97 3.75 0.00 -0.90 -3.03 103.07 105.73 3gou h GLY 29 Ca 0.06 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.74 3gou h GLY 29 CO 0.01 0.41 -0.87 3.21 0.00 0.00 0.00 176.54 179.31 3gou h ARG 30 N 0.12 0.00 0.06 4.80 3.08 -1.20 -2.97 114.38 118.28 3gou h ARG 30 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3gou h ARG 30 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3gou h ARG 30 CO 0.14 0.83 -0.03 1.25 -1.07 0.00 0.00 179.97 181.09 3gou h LEU 31 N 0.00 -0.07 -1.23 3.04 5.85 -1.23 0.26 115.31 121.92 3gou h LEU 31 Ca -0.02 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3gou h LEU 31 Cb 1.66 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.66 3gou h LEU 31 CO 0.11 -0.00 0.52 -0.07 -0.34 0.00 0.00 178.44 178.66 3gou h LEU 32 N -0.14 0.88 -0.09 2.25 3.38 -1.58 0.52 115.31 120.54 3gou h LEU 32 Ca -0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3gou h LEU 32 Cb 0.11 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3gou h LEU 32 CO 0.01 0.63 -0.17 0.40 0.09 0.00 0.00 178.44 179.40 3gou h ILE 33 N 1.04 1.40 0.00 1.22 2.04 -1.32 -3.00 117.51 118.89 3gou h ILE 33 Ca 0.30 -1.46 -0.18 0.00 1.00 0.00 0.00 64.86 64.52 3gou h ILE 33 Cb -0.06 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3gou h ILE 33 CO -0.07 0.41 -0.86 0.58 0.00 0.00 0.00 178.15 178.21 3gou h VAL 34 N -0.20 1.51 -2.14 1.67 2.07 -0.11 -3.37 116.25 115.67 3gou h VAL 34 Ca 0.00 -3.08 -0.57 0.00 0.82 0.00 0.00 66.70 63.87 3gou h VAL 34 Cb 0.75 2.71 -0.41 0.00 -1.52 0.00 0.00 31.29 32.83 3gou h VAL 34 CO 0.04 0.85 -0.81 -1.22 0.02 0.00 0.00 177.57 176.44 3gou n TYR 35 N -3.34 2.29 0.04 1.57 4.01 0.18 -4.98 117.16 116.93 3gou n TYR 35 Ca 0.00 -3.93 0.21 0.00 -0.16 0.00 0.00 57.90 54.02 3gou n TYR 35 Cb 0.88 -0.47 0.59 0.00 -0.31 0.00 0.00 39.34 40.02 3gou n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gou h PRO 36 N 3.68 0.00 0.00 -0.72 0.13 -1.70 -0.76 132.00 132.63 3gou h PRO 36 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gou h PRO 36 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3gou h PRO 36 CO 0.70 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.80 3gou n TRP 37 N -3.34 0.00 1.31 1.56 2.14 -1.26 -2.40 117.44 115.46 3gou n TRP 37 Ca 0.11 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.81 3gou n TRP 37 Cb 0.94 -0.26 0.40 0.00 -0.81 0.00 0.00 31.31 31.57 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 0.00 1.24 -1.67 -2.24 -0.29 -3.35 114.28 106.70 3gou n THR 38 Ca 0.02 -0.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.75 3gou n THR 38 Cb 0.03 0.52 0.61 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.24 0.33 -0.26 -0.78 6.02 -1.01 -3.36 117.38 118.07 3gou n GLN 39 Ca 0.15 -0.07 0.13 0.00 -0.01 0.00 0.00 57.00 57.19 3gou n GLN 39 Cb 0.37 -1.50 0.39 0.00 1.02 0.00 0.00 30.24 30.52 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 0.17 0.64 -0.00 -1.09 2.43 -1.79 -1.66 114.38 113.08 3gou h ARG 40 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gou h ARG 40 Cb 0.40 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3gou h ARG 40 CO 0.00 0.42 -0.13 1.19 -1.51 0.00 0.00 179.97 179.94 3gou n PHE 41 N -4.56 0.00 -2.11 2.20 3.01 -1.22 -3.98 117.46 110.81 3gou n PHE 41 Ca 0.17 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.39 3gou n PHE 41 Cb 0.49 -0.22 0.02 0.00 -0.01 0.00 0.00 39.48 39.75 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 -1.06 2.81 0.21 1.38 3.01 -0.63 -4.78 117.46 118.41 3gou n PHE 42 Ca 0.13 -2.36 0.13 0.00 1.01 0.00 0.00 57.45 56.36 3gou n PHE 42 Cb 0.29 -0.30 0.74 0.00 -0.01 0.00 0.00 39.48 40.20 3gou n PHE 42 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3gou h ASP 43 N 2.25 0.00 -0.27 4.37 3.45 -1.69 -2.58 116.42 121.95 3gou h ASP 43 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3gou h ASP 43 Cb 1.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.21 3gou h ASP 43 CO 0.76 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.89 3gou n SER 44 N -4.23 2.00 -0.98 6.45 3.41 -1.26 -4.44 113.62 114.58 3gou n SER 44 Ca 0.00 -1.84 0.11 0.00 -0.26 0.00 0.00 58.87 56.89 3gou n SER 44 Cb 0.22 -0.17 0.26 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.55 0.47 -3.41 7.33 0.99 -0.97 -5.06 117.46 117.36 3gou n PHE 45 Ca 0.15 -0.24 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 3gou n PHE 45 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.84 3gou n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gou n GLY 46 N 1.39 -0.17 3.66 1.37 0.00 -1.26 -4.80 105.19 105.38 3gou n GLY 46 Ca 0.18 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 6.93 -0.04 1.61 3.68 -1.26 -4.91 116.67 118.68 3gou s ASP 47 Ca 0.00 1.15 0.06 0.00 2.13 0.00 0.00 52.55 55.88 3gou s ASP 47 Cb 0.00 -2.45 0.08 0.00 -1.45 0.00 0.00 42.92 39.10 3gou s ASP 47 CO 0.00 -0.44 0.94 0.18 0.13 0.00 0.00 175.17 175.97 3gou n LEU 48 N 5.50 1.19 0.12 -1.34 4.77 -1.26 -4.33 117.00 121.64 3gou n LEU 48 Ca 0.05 -1.65 0.13 0.00 -0.03 0.00 0.00 56.01 54.51 3gou n LEU 48 Cb 0.48 -0.13 0.45 0.00 -2.33 0.00 0.00 43.42 41.90 3gou n LEU 48 CO 0.48 0.39 0.87 -1.54 -1.33 0.00 0.00 177.39 176.27 3gou n SER 49 N -0.55 0.77 -3.92 -1.43 3.41 -1.26 -4.61 113.62 106.03 3gou n SER 49 Ca 0.05 0.63 -0.10 0.00 -0.26 0.00 0.00 58.87 59.18 3gou n SER 49 Cb 0.53 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.55 3gou n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gou s THR 50 N -3.22 0.08 0.33 6.66 -4.23 -1.26 -5.03 115.64 108.97 3gou s THR 50 Ca 0.07 -0.62 0.11 0.00 -1.18 0.00 0.00 61.69 60.06 3gou s THR 50 Cb 0.11 -0.25 0.37 0.00 1.34 0.00 0.00 72.50 74.06 3gou s THR 50 CO 0.49 -0.34 1.59 -0.65 -0.54 0.00 0.00 174.62 175.18 3gou h PRO 51 N 4.95 0.06 -0.57 3.99 0.11 -1.99 0.79 132.00 139.34 3gou h PRO 51 Ca -0.30 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 3gou h PRO 51 Cb 1.21 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3gou h PRO 51 CO 0.43 0.04 0.07 -0.44 -0.21 0.00 0.00 178.00 177.89 3gou h ASP 52 N 0.07 0.88 -0.80 -2.05 3.45 -1.96 -1.51 116.42 114.49 3gou h ASP 52 Ca 0.70 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.95 3gou h ASP 52 Cb 1.66 -0.23 -0.04 0.00 -0.56 0.00 0.00 39.33 40.15 3gou h ASP 52 CO -0.79 0.90 0.44 0.00 -1.57 0.00 0.00 179.24 178.21 3gou h ALA 53 N 1.20 1.03 -0.10 3.45 0.00 0.22 -2.56 119.26 122.51 3gou h ALA 53 Ca 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gou h ALA 53 Cb 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gou h ALA 53 CO 0.01 0.54 -0.14 0.28 0.00 0.00 0.00 179.25 179.94 3gou h VAL 54 N 1.11 1.38 0.00 0.00 2.07 -1.00 -2.32 116.25 117.50 3gou h VAL 54 Ca 0.28 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3gou h VAL 54 Cb 0.03 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3gou h VAL 54 CO -0.05 0.39 -0.02 0.24 0.02 0.00 0.00 177.57 178.16 3gou h MET 55 N -0.17 0.00 0.00 1.57 2.07 -1.19 -2.67 114.93 114.55 3gou h MET 55 Ca 0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 3gou h MET 55 Cb 0.69 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.42 3gou h MET 55 CO 0.03 0.02 -0.70 -1.13 1.07 0.00 0.00 176.91 176.20 3gou n SER 56 N -4.19 0.70 -4.66 1.22 3.41 -0.97 -4.94 113.62 104.19 3gou n SER 56 Ca -0.03 -0.80 -0.49 0.00 -0.26 0.00 0.00 58.87 57.29 3gou n SER 56 Cb 0.10 1.02 -0.05 0.00 -0.26 0.00 0.00 64.21 65.03 3gou n SER 56 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gou n ASN 57 N -1.36 2.86 0.14 4.04 2.85 -0.87 -4.84 115.26 118.07 3gou n ASN 57 Ca 0.02 1.06 0.13 0.00 -0.11 0.00 0.00 54.58 55.68 3gou n ASN 57 Cb 0.23 -1.34 0.39 0.00 1.24 0.00 0.00 39.78 40.29 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 6.72 1.00 0.19 5.20 0.00 -1.91 -3.17 119.26 127.29 3gou h ALA 58 Ca -0.47 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 3gou h ALA 58 Cb 1.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.09 3gou h ALA 58 CO 0.89 0.00 -1.49 -0.22 0.00 0.00 0.00 179.25 178.44 3gou h LYS 59 N 0.00 0.40 -0.68 0.00 3.64 -1.88 -0.99 116.57 117.05 3gou h LYS 59 Ca 0.00 -0.69 0.14 0.00 -1.27 0.00 0.00 60.65 58.83 3gou h LYS 59 Cb 0.72 0.26 -0.10 0.00 -0.41 0.00 0.00 32.23 32.70 3gou h LYS 59 CO 0.00 1.33 0.16 0.28 -2.27 0.00 0.00 179.45 178.95 3gou h VAL 60 N -0.02 0.56 0.31 2.00 2.07 -1.89 1.38 116.25 120.67 3gou h VAL 60 Ca -0.28 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 3gou h VAL 60 Cb 2.00 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3gou h VAL 60 CO 0.18 0.05 -0.15 0.11 0.02 0.00 0.00 177.57 177.79 3gou h LYS 61 N 0.27 -0.39 0.75 1.57 1.57 -1.57 0.39 116.57 119.15 3gou h LYS 61 Ca 0.38 0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 3gou h LYS 61 Cb 0.61 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 3gou h LYS 61 CO -0.47 -0.10 -0.43 0.00 -0.57 0.00 0.00 179.45 177.88 3gou h ALA 62 N -0.11 -1.12 -0.96 3.86 0.00 -0.73 -0.29 119.26 119.91 3gou h ALA 62 Ca -0.04 -0.23 0.20 0.00 0.00 0.00 0.00 54.91 54.84 3gou h ALA 62 Cb 0.48 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 3gou h ALA 62 CO 0.07 -1.14 0.61 1.25 0.00 0.00 0.00 179.25 180.04 3gou h HIS 63 N -1.10 0.79 -0.94 0.00 -0.00 0.18 -1.57 115.15 112.51 3gou h HIS 63 Ca -0.10 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.31 3gou h HIS 63 Cb 0.87 -0.24 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 3gou h HIS 63 CO -0.08 0.19 0.62 0.78 -0.00 0.00 0.00 177.93 179.44 3gou h GLY 64 N 0.58 1.34 1.29 5.26 0.00 0.75 -2.04 103.07 110.24 3gou h GLY 64 Ca 0.53 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3gou h GLY 64 CO -0.27 0.47 0.11 1.70 0.00 0.00 0.00 176.54 178.55 3gou h LYS 65 N 1.26 0.89 -0.50 4.80 3.11 -0.05 -2.05 116.57 124.03 3gou h LYS 65 Ca 0.35 -0.20 -0.10 0.00 -2.81 0.00 0.00 60.65 57.89 3gou h LYS 65 Cb -0.12 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 30.96 3gou h LYS 65 CO -0.08 0.81 -0.08 0.87 -2.81 0.00 0.00 179.45 178.16 3gou h LYS 66 N 0.85 0.90 -0.34 1.90 6.56 -1.21 -2.32 116.57 122.91 3gou h LYS 66 Ca 0.18 -0.30 -0.16 0.00 -1.06 0.00 0.00 60.65 59.31 3gou h LYS 66 Cb 0.34 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 3gou h LYS 66 CO 0.00 0.95 -0.43 0.28 -2.06 0.00 0.00 179.45 178.19 3gou h VAL 67 N 0.82 1.28 -0.77 0.50 2.07 -1.29 -2.64 116.25 116.20 3gou h VAL 67 Ca 0.14 -1.60 0.14 0.00 0.82 0.00 0.00 66.70 66.19 3gou h VAL 67 Cb 0.60 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3gou h VAL 67 CO 0.04 0.53 0.33 -0.07 0.02 0.00 0.00 177.57 178.42 3gou h LEU 68 N 0.69 0.35 -0.80 2.57 3.38 -1.21 -2.53 115.31 117.74 3gou h LEU 68 Ca 0.04 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3gou h LEU 68 Cb 1.03 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 3gou h LEU 68 CO 0.10 0.14 0.52 0.78 0.09 0.00 0.00 178.44 180.07 3gou h ASN 69 N 0.49 0.89 -0.87 -0.43 2.35 -1.06 0.42 115.58 117.37 3gou h ASN 69 Ca 0.42 -0.01 0.13 0.00 -0.55 0.00 0.00 56.30 56.29 3gou h ASN 69 Cb 0.62 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 38.69 3gou h ASN 69 CO -0.39 0.63 0.48 0.28 -1.65 0.00 0.00 177.43 176.78 3gou h SER 70 N 1.05 0.63 0.34 5.81 0.02 -1.25 0.34 113.55 120.48 3gou h SER 70 Ca 0.31 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.23 3gou h SER 70 Cb -0.06 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3gou h SER 70 CO -0.09 0.30 -0.45 -0.26 -1.14 0.00 0.00 176.83 175.19 3gou h PHE 71 N 0.72 0.17 -0.37 3.45 -1.00 -1.21 0.51 116.94 119.21 3gou h PHE 71 Ca 0.45 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 61.09 3gou h PHE 71 Cb 0.56 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3gou h PHE 71 CO -0.07 0.57 -0.13 1.03 -1.61 0.00 0.00 178.31 178.10 3gou h SER 72 N 0.12 0.75 0.22 2.17 0.87 0.12 -1.08 113.55 116.72 3gou h SER 72 Ca 0.01 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.13 3gou h SER 72 Cb 0.85 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.60 3gou h SER 72 CO 0.07 0.97 -0.24 0.44 -0.53 0.00 0.00 176.83 177.53 3gou h ASP 73 N 0.53 0.05 0.47 6.23 3.45 -0.05 -2.39 116.42 124.71 3gou h ASP 73 Ca 0.09 -0.01 -0.23 0.00 0.43 0.00 0.00 57.03 57.31 3gou h ASP 73 Cb 0.66 -0.01 -0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3gou h ASP 73 CO 0.04 0.30 -0.99 1.23 -1.57 0.00 0.00 179.24 178.25 3gou h GLY 74 N 0.79 0.36 2.00 2.75 0.00 -0.67 -2.80 103.07 105.50 3gou h GLY 74 Ca 0.01 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.56 3gou h GLY 74 CO 0.03 0.60 -0.49 1.41 0.00 0.00 0.00 176.54 178.10 3gou h LEU 75 N 0.16 0.00 -0.22 3.11 4.07 -0.93 -3.06 115.31 118.43 3gou h LEU 75 Ca -0.08 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.72 3gou h LEU 75 Cb 1.64 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.36 3gou h LEU 75 CO 0.16 0.49 -0.74 0.11 -1.08 0.00 0.00 178.44 177.38 3gou h LYS 76 N 0.00 0.00 -2.40 1.13 1.79 -1.43 -3.38 116.57 112.28 3gou h LYS 76 Ca -0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 3gou h LYS 76 Cb 0.90 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.14 3gou h LYS 76 CO 0.06 0.74 -0.72 0.09 -1.08 0.00 0.00 179.45 178.55 3gou n ASN 77 N -3.41 2.50 0.07 0.86 4.13 -1.06 -4.94 115.26 113.41 3gou n ASN 77 Ca 0.00 -3.14 0.13 0.00 1.68 0.00 0.00 54.58 53.25 3gou n ASN 77 Cb 0.79 -0.68 0.41 0.00 -1.54 0.00 0.00 39.78 38.76 3gou n ASN 77 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3gou n LEU 78 N 1.43 0.59 -1.12 3.41 4.77 -1.20 -3.26 117.00 121.61 3gou n LEU 78 Ca 0.26 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 3gou n LEU 78 Cb 0.42 -0.34 0.27 0.00 -2.33 0.00 0.00 43.42 41.44 3gou n LEU 78 CO 0.30 -0.10 0.73 0.47 -1.33 0.00 0.00 177.39 177.46 3gou n ASP 79 N -2.01 3.31 -2.93 -1.43 8.00 -1.26 -4.39 116.55 115.83 3gou n ASP 79 Ca 0.06 -1.97 -0.13 0.00 0.71 0.00 0.00 54.79 53.45 3gou n ASP 79 Cb 0.40 -0.32 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3gou n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gou n ASN 80 N 1.35 -1.04 0.00 -2.24 5.15 -1.20 -4.96 115.26 112.31 3gou n ASN 80 Ca 0.20 -3.35 -0.03 0.00 -0.60 0.00 0.00 54.58 50.81 3gou n ASN 80 Cb 0.56 0.80 0.21 0.00 -0.53 0.00 0.00 39.78 40.82 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 3.15 0.51 0.84 1.20 4.07 -1.77 -3.02 115.31 120.29 3gou h LEU 81 Ca -0.02 -0.15 -0.04 0.00 0.08 0.00 0.00 57.88 57.75 3gou h LEU 81 Cb 1.03 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.64 3gou h LEU 81 CO 0.31 0.71 -0.45 0.11 -1.08 0.00 0.00 178.44 178.04 3gou h LYS 82 N 0.46 -1.14 -0.72 1.13 1.57 -1.93 -1.67 116.57 114.28 3gou h LYS 82 Ca 0.08 0.08 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 3gou h LYS 82 Cb 0.60 0.26 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 3gou h LYS 82 CO 0.04 -0.76 0.31 0.78 -0.57 0.00 0.00 179.45 179.25 3gou h GLY 83 N -1.18 1.08 1.24 3.86 0.00 -1.95 0.76 103.07 106.89 3gou h GLY 83 Ca -0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 3gou h GLY 83 CO 0.16 -0.03 0.08 -0.84 0.00 0.00 0.00 176.54 175.91 3gou h THR 84 N 0.49 1.25 -0.44 4.70 2.02 -1.45 -2.72 112.91 116.76 3gou h THR 84 Ca 0.38 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.59 3gou h THR 84 Cb 0.51 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3gou h THR 84 CO -0.34 0.35 0.00 0.49 0.37 0.00 0.00 175.52 176.39 3gou n PHE 85 N -4.23 1.31 0.29 3.16 3.01 -0.63 -4.71 117.46 115.67 3gou n PHE 85 Ca 0.04 -0.74 -0.15 0.00 1.01 0.00 0.00 57.45 57.61 3gou n PHE 85 Cb 0.27 -0.32 -0.08 0.00 -0.01 0.00 0.00 39.48 39.34 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 2.92 -1.14 -0.04 4.37 0.00 0.84 0.17 119.26 126.38 3gou h ALA 86 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3gou h ALA 86 Cb 1.51 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3gou h ALA 86 CO 0.27 -1.14 -0.41 0.87 0.00 0.00 0.00 179.25 178.84 3gou h LYS 87 N -0.90 0.08 0.00 0.00 1.57 -1.84 -1.90 116.57 113.58 3gou h LYS 87 Ca -0.07 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 3gou h LYS 87 Cb 0.75 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3gou h LYS 87 CO 0.01 0.48 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.96 3gou h LEU 88 N 0.07 0.00 -0.64 2.94 3.38 -1.83 -2.49 115.31 116.74 3gou h LEU 88 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3gou h LEU 88 Cb 0.76 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 3gou h LEU 88 CO 0.06 0.35 -0.06 -1.28 0.09 0.00 0.00 178.44 177.60 3gou h SER 89 N 0.00 0.99 -0.45 -0.43 0.87 0.15 -3.10 113.55 111.58 3gou h SER 89 Ca -0.00 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 3gou h SER 89 Cb 0.69 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3gou h SER 89 CO 0.05 1.08 0.17 -0.33 -0.53 0.00 0.00 176.83 177.26 3gou h GLU 90 N 0.91 0.74 -0.13 2.24 5.08 -1.12 0.23 114.58 122.53 3gou h GLU 90 Ca 0.15 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3gou h GLU 90 Cb 0.61 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3gou h GLU 90 CO 0.04 0.63 -0.10 1.25 -1.00 0.00 0.00 179.01 179.84 3gou h LEU 91 N 0.73 0.31 0.09 1.33 5.85 -1.45 0.26 115.31 122.43 3gou h LEU 91 Ca 0.17 -0.45 -0.28 0.00 0.84 0.00 0.00 57.88 58.15 3gou h LEU 91 Cb 0.19 -0.09 0.03 0.00 0.37 0.00 0.00 40.66 41.17 3gou h LEU 91 CO -0.01 0.69 -1.16 0.45 -0.34 0.00 0.00 178.44 178.07 3gou h HIS 92 N -0.08 0.99 0.17 1.25 3.86 -1.48 0.17 115.15 120.03 3gou h HIS 92 Ca 0.02 -0.61 -0.32 0.00 -1.16 0.00 0.00 60.37 58.31 3gou h HIS 92 Cb 0.60 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.99 3gou h HIS 92 CO 0.08 1.45 -1.51 0.00 0.86 0.00 0.00 177.93 178.80 3gou n ASP 94 N -3.56 0.01 -0.03 0.00 10.43 0.06 -4.16 116.55 119.31 3gou n ASP 94 Ca -0.17 0.01 -0.03 0.00 2.57 0.00 0.00 54.79 57.16 3gou n ASP 94 Cb 1.06 1.52 -0.03 0.00 1.84 0.00 0.00 41.12 45.51 3gou n ASP 94 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3gou n LYS 95 N -2.49 1.74 -0.04 -1.24 4.01 -0.79 -4.76 118.16 114.59 3gou n LYS 95 Ca -0.17 0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 57.62 3gou n LYS 95 Cb 0.84 -1.13 -0.14 0.00 -0.51 0.00 0.00 35.03 34.09 3gou n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3gou n LEU 96 N -2.42 0.30 -3.57 -0.35 4.77 0.54 -5.00 117.00 111.26 3gou n LEU 96 Ca -0.10 0.13 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 3gou n LEU 96 Cb 0.64 0.25 0.07 0.00 -2.33 0.00 0.00 43.42 42.05 3gou n LEU 96 CO 0.09 0.28 0.15 1.41 -1.33 0.00 0.00 177.39 177.99 3gou n HIS 97 N -2.70 -2.46 -2.74 -1.77 8.25 0.31 -4.97 115.22 109.15 3gou n HIS 97 Ca -0.19 0.96 -0.41 0.00 -0.26 0.00 0.00 57.72 57.82 3gou n HIS 97 Cb 0.93 -4.91 -0.05 0.00 1.12 0.00 0.00 29.99 27.09 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 -3.37 4.47 0.16 1.59 1.01 -0.14 -5.00 120.40 119.12 3gou s VAL 98 Ca 0.29 2.07 -0.30 0.00 0.00 0.00 0.00 61.98 64.04 3gou s VAL 98 Cb -0.13 -4.32 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 3gou s VAL 98 CO 0.75 0.33 1.25 -0.62 0.00 0.00 0.00 175.10 176.81 3gou s ASP 99 N -0.09 7.00 0.00 3.32 2.15 -1.26 -4.71 116.67 123.08 3gou s ASP 99 Ca 0.46 2.25 0.18 0.00 0.43 0.00 0.00 52.55 55.88 3gou s ASP 99 Cb -0.23 -2.60 1.04 0.00 -0.30 0.00 0.00 42.92 40.83 3gou s ASP 99 CO 0.30 -0.46 1.52 -2.65 -0.17 0.00 0.00 175.17 173.71 3gou n PRO 100 N 2.94 0.47 -0.21 4.34 -0.02 -1.26 -0.63 135.00 140.63 3gou n PRO 100 Ca 0.06 0.04 -0.06 0.00 -2.02 0.00 0.00 63.50 61.53 3gou n PRO 100 Cb 0.44 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.46 3gou n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gou h GLU 101 N 0.00 0.76 0.00 -0.52 4.57 -1.96 -2.80 114.58 114.63 3gou h GLU 101 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3gou h GLU 101 Cb 0.06 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3gou h GLU 101 CO 0.00 0.50 0.00 -0.91 -1.18 0.00 0.00 179.01 177.42 3gou h ASN 102 N 0.79 0.00 0.10 1.04 4.21 -1.25 -0.17 115.58 120.30 3gou h ASN 102 Ca 0.23 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.56 3gou h ASN 102 Cb -0.06 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.14 3gou h ASN 102 CO -0.06 0.00 -0.63 -0.26 -1.29 0.00 0.00 177.43 175.18 3gou h PHE 103 N 0.00 0.66 -0.02 1.19 0.04 -1.61 -2.30 116.94 114.91 3gou h PHE 103 Ca 0.00 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.51 3gou h PHE 103 Cb 0.42 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3gou h PHE 103 CO 0.00 1.00 -0.00 0.87 -0.60 0.00 0.00 178.31 179.58 3gou h LYS 104 N 0.37 0.00 -0.28 1.51 1.57 -1.05 -2.84 116.57 115.85 3gou h LYS 104 Ca -0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3gou h LYS 104 Cb 1.19 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 3gou h LYS 104 CO 0.12 0.00 0.14 -0.07 -0.57 0.00 0.00 179.45 179.06 3gou h LEU 105 N 0.00 0.21 -0.14 2.94 3.38 -1.46 -1.72 115.31 118.53 3gou h LEU 105 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gou h LEU 105 Cb 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gou h LEU 105 CO -0.01 0.16 0.09 0.25 0.09 0.00 0.00 178.44 179.01 3gou h LEU 106 N 0.29 0.16 -0.83 1.67 5.85 -1.41 -1.42 115.31 119.62 3gou h LEU 106 Ca 0.12 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.02 3gou h LEU 106 Cb 0.04 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 40.90 3gou h LEU 106 CO -0.08 0.12 0.27 1.23 -0.34 0.00 0.00 178.44 179.64 3gou h GLY 107 N 0.19 1.28 1.31 3.75 0.00 -1.25 0.44 103.07 108.78 3gou h GLY 107 Ca 0.05 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 3gou h GLY 107 CO -0.01 -0.25 -0.42 3.43 0.00 0.00 0.00 176.54 179.29 3gou h ASN 108 N 0.32 0.81 1.16 0.19 -0.26 -0.69 -0.50 115.58 116.61 3gou h ASN 108 Ca 0.49 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3gou h ASN 108 Cb 0.91 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 3gou h ASN 108 CO -0.54 1.12 0.00 1.62 -1.06 0.00 0.00 177.43 178.57 3gou h VAL 109 N 0.61 0.00 -0.20 2.81 3.04 -0.79 -2.01 116.25 119.71 3gou h VAL 109 Ca 0.04 -0.57 -0.15 0.00 -1.01 0.00 0.00 66.70 65.02 3gou h VAL 109 Cb 0.98 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 3gou h VAL 109 CO 0.09 0.00 -0.47 0.25 -1.01 0.00 0.00 177.57 176.44 3gou h LEU 110 N 0.00 0.75 -0.35 3.16 6.46 -0.22 -2.21 115.31 122.90 3gou h LEU 110 Ca 0.00 -0.57 0.04 0.00 -0.12 0.00 0.00 57.88 57.24 3gou h LEU 110 Cb 0.58 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.25 3gou h LEU 110 CO 0.00 1.18 0.11 0.58 -0.62 0.00 0.00 178.44 179.69 3gou h VAL 111 N 0.35 0.88 -0.49 1.05 2.07 -0.89 -2.11 116.25 117.11 3gou h VAL 111 Ca -0.00 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3gou h VAL 111 Cb 1.08 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 3gou h VAL 111 CO 0.10 0.05 0.09 0.00 0.02 0.00 0.00 177.57 177.82 3gou h VAL 113 N 0.22 1.24 -0.52 0.00 2.07 -1.18 0.12 116.25 118.21 3gou h VAL 113 Ca 0.25 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 3gou h VAL 113 Cb 0.33 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3gou h VAL 113 CO -0.33 0.31 -0.04 -0.07 0.02 0.00 0.00 177.57 177.46 3gou h LEU 114 N 1.05 0.93 -0.08 2.57 3.38 -0.67 0.67 115.31 123.16 3gou h LEU 114 Ca 0.24 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gou h LEU 114 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3gou h LEU 114 CO -0.02 1.03 -0.08 0.00 0.09 0.00 0.00 178.44 179.46 3gou h ALA 115 N 0.93 -0.01 -0.97 1.53 0.00 -0.68 0.54 119.26 120.60 3gou h ALA 115 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3gou h ALA 115 Cb 0.58 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3gou h ALA 115 CO 0.03 -0.54 0.64 1.25 0.00 0.00 0.00 179.25 180.63 3gou h HIS 116 N -0.10 1.19 -0.00 0.00 -0.00 -0.35 0.59 115.15 116.49 3gou h HIS 116 Ca 0.06 0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.35 3gou h HIS 116 Cb 0.18 -0.40 0.01 0.00 -0.00 0.00 0.00 27.41 27.20 3gou h HIS 116 CO -0.18 0.70 -0.41 0.45 -0.00 0.00 0.00 177.93 178.48 3gou h HIS 117 N 1.24 0.42 0.00 5.26 -0.00 0.70 -3.36 115.15 119.40 3gou h HIS 117 Ca 0.38 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.53 3gou h HIS 117 Cb -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 3gou h HIS 117 CO -0.01 1.04 -0.67 1.19 -0.00 0.00 0.00 177.93 179.48 3gou n PHE 118 N -4.37 0.01 0.00 2.45 3.01 0.19 -5.00 117.46 113.74 3gou n PHE 118 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 3gou n PHE 118 Cb 0.58 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 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 1.50 4.14 0.07 1.37 0.00 0.21 -1.91 105.19 110.56 3gou n GLY 119 Ca 0.05 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3gou n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gou n LYS 120 N 13.87 0.18 0.29 1.61 3.00 -1.26 -2.57 118.16 133.29 3gou n LYS 120 Ca 0.00 0.14 0.19 0.00 -0.00 0.00 0.00 58.31 58.64 3gou n LYS 120 Cb 0.00 -1.70 0.86 0.00 0.00 0.00 0.00 35.03 34.19 3gou n LYS 120 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3gou h GLU 121 N 0.00 0.00 -5.26 1.64 5.08 -1.77 -3.33 114.58 110.94 3gou h GLU 121 Ca 0.00 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.65 3gou h GLU 121 Cb 0.67 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.79 3gou h GLU 121 CO 0.00 0.00 1.81 0.34 -1.00 0.00 0.00 179.01 180.16 3gou n PHE 122 N -3.04 4.78 -1.45 4.33 7.35 -1.06 -4.92 117.46 123.44 3gou n PHE 122 Ca -0.01 -3.09 -0.31 0.00 -0.76 0.00 0.00 57.45 53.28 3gou n PHE 122 Cb 0.22 -2.41 0.07 0.00 0.35 0.00 0.00 39.48 37.71 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 2.87 3.61 0.43 -2.13 -4.23 -1.25 -4.69 115.64 110.24 3gou s THR 123 Ca 0.48 0.52 0.14 0.00 -1.18 0.00 0.00 61.69 61.66 3gou s THR 123 Cb 0.01 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 71.01 3gou s THR 123 CO 0.04 -0.68 1.97 -0.65 -0.54 0.00 0.00 174.62 174.75 3gou h PRO 124 N -0.94 0.41 -0.39 3.99 0.11 -1.94 0.45 132.00 133.68 3gou h PRO 124 Ca -0.44 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.70 3gou h PRO 124 Cb 1.23 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 3gou h PRO 124 CO 0.55 0.27 0.07 1.96 -0.21 0.00 0.00 178.00 180.64 3gou h GLN 125 N 0.42 0.19 -0.14 1.05 7.50 -1.99 -2.12 115.11 120.01 3gou h GLN 125 Ca 0.30 -0.01 -0.19 0.00 0.50 0.00 0.00 58.65 59.24 3gou h GLN 125 Cb 0.60 -0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.09 3gou h GLN 125 CO -0.09 0.13 -0.67 0.28 -1.50 0.00 0.00 178.83 176.98 3gou h VAL 126 N 0.19 1.31 -0.76 -0.54 2.07 -1.22 -3.12 116.25 114.18 3gou h VAL 126 Ca 0.19 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3gou h VAL 126 Cb 0.23 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3gou h VAL 126 CO -0.26 0.60 0.47 -0.61 0.02 0.00 0.00 177.57 177.79 3gou h GLN 127 N 0.40 1.02 -0.16 1.57 4.15 -0.10 -2.15 115.11 119.84 3gou h GLN 127 Ca -0.04 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 3gou h GLN 127 Cb 1.31 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 3gou h GLN 127 CO 0.14 0.70 -0.15 0.00 -1.93 0.00 0.00 178.83 177.59 3gou h ALA 128 N 1.25 1.45 -0.09 3.38 0.00 -1.36 0.37 119.26 124.26 3gou h ALA 128 Ca 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3gou h ALA 128 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gou h ALA 128 CO -0.05 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.51 3gou h ALA 129 N 1.60 0.13 0.00 0.00 0.00 -1.40 -3.07 119.26 116.52 3gou h ALA 129 Ca 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gou h ALA 129 Cb 0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gou h ALA 129 CO 0.03 -0.07 -0.04 1.88 0.00 0.00 0.00 179.25 181.05 3gou h TYR 130 N -0.19 0.00 -0.09 0.00 0.05 -0.80 -0.11 116.97 115.83 3gou h TYR 130 Ca 0.02 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 3gou h TYR 130 Cb 0.56 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3gou h TYR 130 CO 0.08 0.04 -0.41 1.96 -1.05 0.00 0.00 178.16 178.78 3gou h GLN 131 N 0.00 0.20 -0.27 4.88 1.08 -0.86 -2.14 115.11 118.00 3gou h GLN 131 Ca -0.00 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 56.99 3gou h GLN 131 Cb 0.10 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3gou h GLN 131 CO 0.00 0.58 -0.29 0.87 -0.95 0.00 0.00 178.83 179.04 3gou h LYS 132 N 0.17 0.68 0.19 1.46 1.57 -0.95 -2.15 116.57 117.54 3gou h LYS 132 Ca 0.02 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3gou h LYS 132 Cb 0.80 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3gou h LYS 132 CO 0.06 0.98 -0.09 0.28 -0.57 0.00 0.00 179.45 180.11 3gou h VAL 133 N 0.42 0.88 -0.41 0.50 2.07 -1.42 -2.24 116.25 116.05 3gou h VAL 133 Ca 0.04 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3gou h VAL 133 Cb 0.87 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3gou h VAL 133 CO 0.07 0.09 0.17 0.58 0.02 0.00 0.00 177.57 178.50 3gou h VAL 134 N -0.44 1.15 -0.16 2.57 2.07 -1.42 0.60 116.25 120.62 3gou h VAL 134 Ca -0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3gou h VAL 134 Cb 0.34 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3gou h VAL 134 CO 0.04 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.83 3gou h ALA 135 N 1.61 0.21 -0.58 1.67 0.00 -1.38 0.38 119.26 121.18 3gou h ALA 135 Ca 0.14 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3gou h ALA 135 Cb 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gou h ALA 135 CO -0.02 -0.10 -0.02 0.78 0.00 0.00 0.00 179.25 179.89 3gou h GLY 136 N 0.04 1.12 0.72 0.00 0.00 -0.89 0.11 103.07 104.17 3gou h GLY 136 Ca 0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.54 3gou h GLY 136 CO 0.01 0.77 -0.03 -2.08 0.00 0.00 0.00 176.54 175.21 3gou h VAL 137 N 0.92 1.13 -0.44 4.60 2.07 -0.92 0.33 116.25 123.95 3gou h VAL 137 Ca 0.16 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.14 3gou h VAL 137 Cb 0.58 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3gou h VAL 137 CO 0.03 0.16 0.30 0.00 0.02 0.00 0.00 177.57 178.08 3gou h ALA 138 N 0.57 2.10 0.14 1.67 0.00 -0.78 -1.34 119.26 121.62 3gou h ALA 138 Ca -0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.53 3gou h ALA 138 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gou h ALA 138 CO 0.01 -0.20 -1.90 -0.97 0.00 0.00 0.00 179.25 176.19 3gou h ASN 139 N 0.24 0.45 0.51 0.00 -1.24 -0.68 -3.31 115.58 111.54 3gou h ASN 139 Ca 0.20 -0.94 -0.02 0.00 0.71 0.00 0.00 56.30 56.26 3gou h ASN 139 Cb 0.48 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 3gou h ASN 139 CO -0.04 1.83 -0.07 0.00 -1.29 0.00 0.00 177.43 177.86 3gou h ALA 140 N 0.06 1.13 -0.00 1.57 0.00 -0.08 -0.01 119.26 121.92 3gou h ALA 140 Ca -0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gou h ALA 140 Cb 2.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3gou h ALA 140 CO 0.10 0.09 -0.11 -0.11 0.00 0.00 0.00 179.25 179.22 3gou n LEU 141 N -3.37 0.23 -0.76 0.00 0.00 -0.53 -3.55 117.00 109.03 3gou n LEU 141 Ca -0.01 0.21 0.08 0.00 0.00 0.00 0.00 56.01 56.29 3gou n LEU 141 Cb 0.24 -0.31 0.23 0.00 0.00 0.00 0.00 43.42 43.58 3gou n LEU 141 CO 0.28 0.05 0.68 0.00 0.00 0.00 0.00 177.39 178.39 3gou n ALA 142 N -1.26 2.77 -0.02 1.96 0.00 -0.02 -4.39 120.51 119.54 3gou n ALA 142 Ca 0.11 -2.08 -0.17 0.00 0.00 0.00 0.00 53.44 51.29 3gou n ALA 142 Cb 0.30 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 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 1.67 1.07 0.00 0.00 6.17 -1.60 -3.05 115.15 119.42 3gou h HIS 143 Ca 0.00 -0.47 0.00 0.00 0.71 0.00 0.00 60.37 60.61 3gou h HIS 143 Cb 1.26 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 31.02 3gou h HIS 143 CO 0.40 1.31 0.01 1.63 0.71 0.00 0.00 177.93 181.99 3gou n LYS 144 N -3.93 0.00 0.00 5.26 4.76 -1.26 0.24 118.16 123.22 3gou n LYS 144 Ca -0.07 0.19 0.09 0.00 -2.87 0.00 0.00 58.31 55.65 3gou n LYS 144 Cb 0.75 -1.51 0.02 0.00 -1.84 0.00 0.00 35.03 32.45 3gou n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3gou n TYR 145 N -1.18 0.00 1.32 2.13 4.01 -1.15 -5.00 117.16 117.29 3gou n TYR 145 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3gou n TYR 145 Cb 0.01 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.41 3gou n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12