#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0c n HIS 2 N 0.00 2.81 -3.68 3.52 -0.00 -1.26 -4.87 115.22 111.73 1y0c n HIS 2 Ca 0.00 -3.58 -0.37 0.00 -0.00 0.00 0.00 57.72 53.77 1y0c n HIS 2 Cb 0.00 -0.35 -0.07 0.00 -0.00 0.00 0.00 29.99 29.57 1y0c n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y0c s LEU 3 N -3.26 4.35 0.34 0.27 1.43 -1.26 -5.07 118.68 115.49 1y0c s LEU 3 Ca 0.44 0.57 -0.26 0.00 -1.03 0.00 0.00 54.13 53.85 1y0c s LEU 3 Cb 0.35 -2.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.20 1y0c s LEU 3 CO -0.12 0.28 1.06 -0.89 0.23 0.00 0.00 176.35 176.91 1y0c s THR 4 N -0.49 3.65 0.34 5.49 2.01 -1.26 -4.79 115.64 120.59 1y0c s THR 4 Ca 0.17 1.43 0.13 0.00 0.31 0.00 0.00 61.69 63.73 1y0c s THR 4 Cb -0.13 -3.82 0.33 0.00 0.01 0.00 0.00 72.50 68.88 1y0c s THR 4 CO 0.05 0.17 1.66 -0.65 -0.69 0.00 0.00 174.62 175.17 1y0c h PRO 5 N 3.09 0.32 -0.59 4.92 0.11 -1.98 0.97 132.00 138.84 1y0c h PRO 5 Ca -0.47 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1y0c h PRO 5 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1y0c h PRO 5 CO 0.64 0.21 0.09 0.93 -0.21 0.00 0.00 178.00 179.66 1y0c h GLU 6 N 0.32 0.99 -0.10 1.05 3.07 -2.00 -0.66 114.58 117.26 1y0c h GLU 6 Ca 0.72 -0.27 -0.12 0.00 -0.50 0.00 0.00 59.36 59.18 1y0c h GLU 6 Cb 1.61 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.39 1y0c h GLU 6 CO -0.61 0.93 -0.49 0.93 -1.40 0.00 0.00 179.01 178.38 1y0c h GLU 7 N 0.89 0.26 -0.29 2.33 5.08 0.25 -2.62 114.58 120.48 1y0c h GLU 7 Ca 0.18 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1y0c h GLU 7 Cb 0.43 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1y0c h GLU 7 CO 0.01 0.69 -0.17 0.87 -1.00 0.00 0.00 179.01 179.42 1y0c h LYS 8 N 0.21 0.62 -0.34 2.33 6.56 0.65 -2.84 116.57 123.75 1y0c h LYS 8 Ca 0.01 -0.28 -0.03 0.00 -1.06 0.00 0.00 60.65 59.28 1y0c h LYS 8 Cb 0.94 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.57 1y0c h LYS 8 CO 0.08 0.87 0.07 1.03 -2.06 0.00 0.00 179.45 179.44 1y0c h SER 9 N 0.36 0.52 -0.76 0.86 0.87 -1.00 -2.54 113.55 111.86 1y0c h SER 9 Ca 0.06 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1y0c h SER 9 Cb 0.70 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1y0c h SER 9 CO 0.05 0.62 0.48 0.00 -0.53 0.00 0.00 176.83 177.46 1y0c h ALA 10 N 0.91 0.96 0.54 6.23 0.00 -1.52 0.17 119.26 126.55 1y0c h ALA 10 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1y0c h ALA 10 Cb 0.31 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1y0c h ALA 10 CO 0.00 0.40 -0.26 0.28 0.00 0.00 0.00 179.25 179.67 1y0c h VAL 11 N 1.03 0.25 -0.59 0.00 2.07 -1.49 -2.77 116.25 114.76 1y0c h VAL 11 Ca 0.28 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.48 1y0c h VAL 11 Cb -0.09 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 29.94 1y0c h VAL 11 CO -0.06 0.04 -0.05 0.74 0.02 0.00 0.00 177.57 178.26 1y0c h THR 12 N -1.06 0.48 -0.03 2.57 2.02 -1.39 -0.49 112.91 115.01 1y0c h THR 12 Ca -0.07 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 66.92 1y0c h THR 12 Cb 0.62 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1y0c h THR 12 CO 0.12 0.01 -0.73 0.00 0.37 0.00 0.00 175.52 175.30 1y0c h ALA 13 N 1.55 0.71 -0.13 6.16 0.00 -0.74 -2.94 119.26 123.88 1y0c h ALA 13 Ca 0.30 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 1y0c h ALA 13 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1y0c h ALA 13 CO -0.54 0.82 -0.41 1.25 0.00 0.00 0.00 179.25 180.37 1y0c h LEU 14 N 0.13 0.59 -0.97 0.00 7.12 -1.07 -3.25 115.31 117.86 1y0c h LEU 14 Ca -0.02 -0.60 0.12 0.00 0.13 0.00 0.00 57.88 57.51 1y0c h LEU 14 Cb 1.29 -0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 41.16 1y0c h LEU 14 CO 0.11 1.09 0.60 -0.25 -0.13 0.00 0.00 178.44 179.86 1y0c h TRP 15 N 0.13 1.09 -0.10 1.25 2.91 -1.16 -1.06 115.95 119.00 1y0c h TRP 15 Ca -0.01 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.07 1y0c h TRP 15 Cb 1.03 -0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1y0c h TRP 15 CO 0.11 0.43 0.16 0.78 -1.03 0.00 0.00 178.44 178.88 1y0c h GLY 16 N 0.95 0.00 -1.05 2.65 0.00 -1.55 0.56 103.07 104.63 1y0c h GLY 16 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1y0c h GLY 16 CO -0.27 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.55 1y0c n LYS 17 N -3.54 1.91 -3.15 4.80 5.02 -0.40 -4.95 118.16 117.85 1y0c n LYS 17 Ca -0.00 -1.34 -0.39 0.00 -2.02 0.00 0.00 58.31 54.56 1y0c n LYS 17 Cb 0.26 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 1y0c n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y0c s VAL 18 N -1.89 5.07 -0.68 -0.18 1.01 0.19 -5.02 120.40 118.88 1y0c s VAL 18 Ca 0.35 1.27 -0.21 0.00 0.00 0.00 0.00 61.98 63.39 1y0c s VAL 18 Cb 0.20 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 32.71 1y0c s VAL 18 CO 0.31 0.30 0.92 0.21 0.00 0.00 0.00 175.10 176.83 1y0c s ASN 19 N 0.61 6.25 0.36 3.32 3.84 -1.26 -4.92 114.94 123.14 1y0c s ASN 19 Ca 0.33 -1.28 0.06 0.00 0.21 0.00 0.00 52.86 52.18 1y0c s ASN 19 Cb -0.17 -2.38 0.74 0.00 -0.55 0.00 0.00 41.25 38.88 1y0c s ASN 19 CO 0.16 -1.30 1.96 0.58 -2.79 0.00 0.00 177.10 175.71 1y0c h VAL 20 N 5.93 1.03 0.15 -5.21 2.07 -1.95 -1.60 116.25 116.66 1y0c h VAL 20 Ca -0.22 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1y0c h VAL 20 Cb 1.07 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1y0c h VAL 20 CO 1.15 0.14 -0.39 0.44 0.02 0.00 0.00 177.57 178.92 1y0c h ASP 21 N 0.76 -1.15 0.03 0.57 5.19 -1.92 -0.28 116.42 119.63 1y0c h ASP 21 Ca 0.31 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1y0c h ASP 21 Cb 0.24 0.43 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1y0c h ASP 21 CO -0.10 -0.48 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.20 1y0c h GLU 22 N -0.65 -0.04 -0.72 3.56 5.08 -1.93 -2.89 114.58 116.98 1y0c h GLU 22 Ca 0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1y0c h GLU 22 Cb 0.66 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1y0c h GLU 22 CO -0.21 0.48 0.47 0.28 -1.00 0.00 0.00 179.01 179.03 1y0c h VAL 23 N -0.59 1.19 -0.29 3.13 2.07 -1.27 -1.44 116.25 119.05 1y0c h VAL 23 Ca -0.00 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 1y0c h VAL 23 Cb 0.54 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1y0c h VAL 23 CO 0.01 0.19 -0.29 1.23 0.02 0.00 0.00 177.57 178.72 1y0c h GLY 24 N 0.98 0.64 1.56 2.17 0.00 -1.15 0.35 103.07 107.63 1y0c h GLY 24 Ca 0.26 -0.57 -0.18 0.00 0.00 0.00 0.00 47.33 46.84 1y0c h GLY 24 CO -0.06 0.52 -0.72 -1.33 0.00 0.00 0.00 176.54 174.96 1y0c h GLY 25 N 1.02 0.48 1.32 4.60 0.00 -1.28 -2.72 103.07 106.49 1y0c h GLY 25 Ca 0.06 -0.66 -0.25 0.00 0.00 0.00 0.00 47.33 46.48 1y0c h GLY 25 CO 0.06 0.59 -1.01 -2.09 0.00 0.00 0.00 176.54 174.09 1y0c h GLU 26 N 0.30 0.61 0.34 4.80 4.81 -1.13 -2.36 114.58 121.94 1y0c h GLU 26 Ca -0.03 -0.65 -0.02 0.00 -0.13 0.00 0.00 59.36 58.53 1y0c h GLU 26 Cb 1.29 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1y0c h GLU 26 CO 0.12 1.25 -0.16 0.00 -0.73 0.00 0.00 179.01 179.49 1y0c h ALA 27 N 0.52 -0.46 -0.44 2.92 0.00 -0.97 0.19 119.26 121.02 1y0c h ALA 27 Ca -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1y0c h ALA 27 Cb 1.65 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1y0c h ALA 27 CO 0.19 -0.72 0.10 1.25 0.00 0.00 0.00 179.25 180.07 1y0c h LEU 28 N -0.54 0.60 -0.07 0.00 5.85 -1.59 -1.33 115.31 118.23 1y0c h LEU 28 Ca -0.05 -0.09 -0.17 0.00 0.84 0.00 0.00 57.88 58.40 1y0c h LEU 28 Cb 0.40 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.28 1y0c h LEU 28 CO 0.08 0.61 -0.63 1.23 -0.34 0.00 0.00 178.44 179.38 1y0c h GLY 29 N 0.86 0.62 1.36 3.75 0.00 -1.34 -2.81 103.07 105.51 1y0c h GLY 29 Ca 0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 1y0c h GLY 29 CO -0.00 0.84 0.19 3.21 0.00 0.00 0.00 176.54 180.78 1y0c h ARG 30 N 0.17 0.82 -0.14 4.80 3.08 -0.71 -1.92 114.38 120.47 1y0c h ARG 30 Ca -0.06 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 59.89 1y0c h ARG 30 Cb 1.29 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.16 1y0c h ARG 30 CO 0.13 0.70 -0.12 1.25 -1.07 0.00 0.00 179.97 180.86 1y0c h LEU 31 N 0.80 -0.37 -2.16 3.04 5.85 -1.19 0.39 115.31 121.68 1y0c h LEU 31 Ca 0.19 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1y0c h LEU 31 Cb 0.21 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1y0c h LEU 31 CO -0.01 -0.16 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.82 1y0c h LEU 32 N -0.13 0.00 0.01 2.25 3.38 -1.16 -2.04 115.31 117.61 1y0c h LEU 32 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 1y0c h LEU 32 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1y0c h LEU 32 CO -0.22 0.05 -1.38 0.52 0.09 0.00 0.00 178.44 177.50 1y0c n VAL 33 N -3.32 1.54 -0.08 1.22 0.31 -0.71 -3.68 118.33 113.61 1y0c n VAL 33 Ca -0.02 -0.07 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 1y0c n VAL 33 Cb 0.20 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.06 1y0c n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1y0c h VAL 34 N -0.96 1.28 -2.64 2.52 2.07 -0.96 -3.35 116.25 114.22 1y0c h VAL 34 Ca -0.38 -1.69 -0.61 0.00 0.82 0.00 0.00 66.70 64.85 1y0c h VAL 34 Cb 1.36 1.64 -0.42 0.00 -1.52 0.00 0.00 31.29 32.34 1y0c h VAL 34 CO -0.21 0.55 -0.59 -1.22 0.02 0.00 0.00 177.57 176.11 1y0c n TYR 35 N -4.06 3.35 -0.14 1.57 4.01 -0.77 -4.97 117.16 116.16 1y0c n TYR 35 Ca -0.04 -4.22 0.28 0.00 -0.16 0.00 0.00 57.90 53.76 1y0c n TYR 35 Cb 0.60 -0.58 0.70 0.00 -0.31 0.00 0.00 39.34 39.75 1y0c n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y0c h PRO 36 N 4.79 0.00 0.00 -0.72 0.13 -1.71 -0.80 132.00 133.70 1y0c h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1y0c h PRO 36 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1y0c h PRO 36 CO 0.77 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.65 1y0c h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.99 115.95 113.70 1y0c h TRP 37 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.38 1y0c h TRP 37 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.09 1y0c h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1y0c h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.46 -2.69 112.91 110.23 1y0c h THR 38 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1y0c h THR 38 Cb 0.30 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1y0c h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1y0c n GLN 39 N -2.46 0.07 0.34 4.72 6.02 -0.75 -2.79 117.38 122.53 1y0c n GLN 39 Ca 0.02 0.25 0.23 0.00 -0.01 0.00 0.00 57.00 57.48 1y0c n GLN 39 Cb 0.26 -1.50 1.21 0.00 1.02 0.00 0.00 30.24 31.23 1y0c n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y0c h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.70 -2.28 114.38 109.42 1y0c h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y0c h ARG 40 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1y0c h ARG 40 CO 0.00 0.00 -1.06 1.19 0.10 0.00 0.00 179.97 180.20 1y0c n PHE 41 N -3.08 0.10 -2.47 4.08 3.01 -1.12 -4.52 117.46 113.46 1y0c n PHE 41 Ca -0.03 0.03 -0.28 0.00 1.01 0.00 0.00 57.45 58.18 1y0c n PHE 41 Cb 0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 39.48 39.29 1y0c n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y0c n PHE 42 N -1.76 3.43 -0.03 1.38 3.01 -0.86 -4.80 117.46 117.83 1y0c n PHE 42 Ca 0.03 -3.12 -0.10 0.00 1.01 0.00 0.00 57.45 55.27 1y0c n PHE 42 Cb 0.40 -0.16 0.05 0.00 -0.01 0.00 0.00 39.48 39.76 1y0c n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y0c h GLU 43 N 2.62 0.65 0.00 -1.08 4.39 -1.79 -2.99 114.58 116.38 1y0c h GLU 43 Ca 0.31 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1y0c h GLU 43 Cb 0.85 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1y0c h GLU 43 CO 0.88 0.99 0.00 -1.13 -1.16 0.00 0.00 179.01 178.59 1y0c n SER 44 N -4.00 0.00 0.13 1.42 3.41 -1.26 -2.89 113.62 110.43 1y0c n SER 44 Ca -0.03 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1y0c n SER 44 Cb 0.58 -0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.23 1y0c n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y0c h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.90 -3.50 116.94 118.92 1y0c h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1y0c h PHE 45 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 1y0c h PHE 45 CO 0.00 0.62 0.00 0.41 -0.18 0.00 0.00 178.31 179.16 1y0c n GLY 46 N 1.03 0.15 3.54 -1.45 0.00 -1.14 -4.83 105.19 102.49 1y0c n GLY 46 Ca 0.01 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1y0c n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y0c s ASP 47 N -4.00 6.42 -0.07 1.61 3.68 -1.26 -4.81 116.67 118.23 1y0c s ASP 47 Ca 0.00 -0.12 0.10 0.00 2.13 0.00 0.00 52.55 54.66 1y0c s ASP 47 Cb 0.00 -2.44 0.16 0.00 -1.45 0.00 0.00 42.92 39.19 1y0c s ASP 47 CO 0.00 -1.12 1.04 0.18 0.13 0.00 0.00 175.17 175.40 1y0c n LEU 48 N 7.27 1.63 0.27 -1.34 4.77 -1.26 -4.09 117.00 124.26 1y0c n LEU 48 Ca 0.04 -2.23 0.12 0.00 -0.03 0.00 0.00 56.01 53.90 1y0c n LEU 48 Cb 0.48 -0.23 0.76 0.00 -2.33 0.00 0.00 43.42 42.10 1y0c n LEU 48 CO 0.63 0.53 1.04 0.28 -1.33 0.00 0.00 177.39 178.54 1y0c h SER 49 N 0.00 0.00 -5.17 -1.43 0.02 -1.90 -3.44 113.55 101.64 1y0c h SER 49 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1y0c h SER 49 Cb 0.99 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.37 1y0c h SER 49 CO 0.00 0.06 -0.61 0.42 -1.14 0.00 0.00 176.83 175.56 1y0c s THR 50 N -4.56 0.18 0.18 -2.27 -4.23 -1.26 -5.00 115.64 98.67 1y0c s THR 50 Ca -0.04 -1.47 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1y0c s THR 50 Cb 0.15 -1.21 0.13 0.00 1.34 0.00 0.00 72.50 72.91 1y0c s THR 50 CO 0.60 -0.81 1.62 -0.65 -0.54 0.00 0.00 174.62 174.83 1y0c h PRO 51 N 3.40 -0.11 -0.66 3.99 0.11 -1.98 0.39 132.00 137.13 1y0c h PRO 51 Ca -0.33 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.89 1y0c h PRO 51 Cb 1.17 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1y0c h PRO 51 CO 0.58 -0.08 0.26 -0.44 -0.21 0.00 0.00 178.00 178.12 1y0c h ASP 52 N -0.12 0.27 0.33 -2.05 3.32 -1.97 0.61 116.42 116.81 1y0c h ASP 52 Ca 0.22 0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 1y0c h ASP 52 Cb 0.47 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1y0c h ASP 52 CO -0.55 0.14 -0.45 0.00 -1.72 0.00 0.00 179.24 176.66 1y0c h ALA 53 N 1.46 1.14 0.10 3.45 0.00 -1.23 -1.87 119.26 122.30 1y0c h ALA 53 Ca 0.34 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y0c h ALA 53 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1y0c h ALA 53 CO -0.33 0.60 -0.05 0.28 0.00 0.00 0.00 179.25 179.75 1y0c h VAL 54 N 0.12 0.61 -0.71 0.00 2.07 0.85 -2.62 116.25 116.57 1y0c h VAL 54 Ca 0.01 -1.27 0.15 0.00 0.82 0.00 0.00 66.70 66.41 1y0c h VAL 54 Cb 0.84 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1y0c h VAL 54 CO 0.06 0.19 0.48 0.24 0.02 0.00 0.00 177.57 178.57 1y0c h MET 55 N -0.98 0.31 0.00 1.57 2.86 -0.99 -0.54 114.93 117.16 1y0c h MET 55 Ca -0.01 -0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 57.41 1y0c h MET 55 Cb 0.41 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1y0c h MET 55 CO 0.02 0.20 -1.11 0.78 1.06 0.00 0.00 176.91 177.86 1y0c h GLY 56 N 0.32 0.00 -6.25 8.32 0.00 -1.44 -3.46 103.07 100.55 1y0c h GLY 56 Ca 0.35 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.10 1y0c h GLY 56 CO -0.09 0.00 1.35 -2.01 0.00 0.00 0.00 176.54 175.79 1y0c n ASN 57 N -3.20 3.51 0.27 0.19 2.85 -0.21 -4.84 115.26 113.83 1y0c n ASN 57 Ca -0.05 0.56 0.17 0.00 -0.11 0.00 0.00 54.58 55.15 1y0c n ASN 57 Cb 0.91 -1.50 0.68 0.00 1.24 0.00 0.00 39.78 41.12 1y0c n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y0c h PRO 58 N 12.53 0.00 0.00 1.20 0.13 -1.89 -1.14 132.00 142.83 1y0c h PRO 58 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 1y0c h PRO 58 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1y0c h PRO 58 CO 0.96 0.03 -0.70 0.87 -0.23 0.00 0.00 178.00 178.92 1y0c h LYS 59 N 0.00 0.00 0.11 0.86 1.57 -1.88 -0.92 116.57 116.31 1y0c h LYS 59 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1y0c h LYS 59 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1y0c h LYS 59 CO 0.00 0.70 -0.05 0.28 -0.57 0.00 0.00 179.45 179.81 1y0c h VAL 60 N 0.00 0.92 -0.63 0.50 2.07 -1.76 -2.20 116.25 115.14 1y0c h VAL 60 Ca -0.01 -1.33 0.09 0.00 0.82 0.00 0.00 66.70 66.27 1y0c h VAL 60 Cb 1.25 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.56 1y0c h VAL 60 CO 0.09 0.26 0.28 0.11 0.02 0.00 0.00 177.57 178.33 1y0c h LYS 61 N -0.90 0.48 -0.00 1.57 6.56 -1.23 0.88 116.57 123.93 1y0c h LYS 61 Ca -0.01 -0.03 -0.15 0.00 -1.06 0.00 0.00 60.65 59.40 1y0c h LYS 61 Cb 0.54 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 1y0c h LYS 61 CO 0.02 0.31 -0.70 0.00 -2.06 0.00 0.00 179.45 177.03 1y0c h ALA 62 N 1.40 0.84 -0.02 3.86 0.00 -1.25 -2.63 119.26 121.47 1y0c h ALA 62 Ca 0.31 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 1y0c h ALA 62 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1y0c h ALA 62 CO -0.27 0.87 -0.74 1.25 0.00 0.00 0.00 179.25 180.36 1y0c h HIS 63 N 0.01 0.18 -0.77 0.00 -0.00 -0.67 -2.86 115.15 111.04 1y0c h HIS 63 Ca -0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.37 60.25 1y0c h HIS 63 Cb 1.24 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.59 1y0c h HIS 63 CO 0.00 0.82 0.36 0.78 -0.00 0.00 0.00 177.93 179.89 1y0c h GLY 64 N 1.88 1.19 1.66 5.26 0.00 -0.66 -0.17 103.07 112.23 1y0c h GLY 64 Ca -0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 1y0c h GLY 64 CO 0.11 0.57 -0.36 1.70 0.00 0.00 0.00 176.54 178.56 1y0c h LYS 65 N 1.09 0.38 -0.07 4.80 3.11 -1.47 0.01 116.57 124.42 1y0c h LYS 65 Ca 0.26 -0.17 -0.23 0.00 -2.81 0.00 0.00 60.65 57.70 1y0c h LYS 65 Cb 0.13 -0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1y0c h LYS 65 CO -0.03 0.69 -0.89 -0.22 -2.81 0.00 0.00 179.45 176.19 1y0c h LYS 66 N 0.33 0.66 0.19 1.90 3.64 -1.20 -1.31 116.57 120.78 1y0c h LYS 66 Ca 0.04 -0.62 -0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1y0c h LYS 66 Cb 0.79 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1y0c h LYS 66 CO 0.06 1.23 -0.09 0.28 -2.27 0.00 0.00 179.45 178.66 1y0c h VAL 67 N 0.42 0.90 0.00 2.00 2.07 -0.93 -2.78 116.25 117.93 1y0c h VAL 67 Ca -0.08 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1y0c h VAL 67 Cb 1.52 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1y0c h VAL 67 CO 0.17 0.17 -0.18 -0.07 0.02 0.00 0.00 177.57 177.69 1y0c h LEU 68 N -0.68 0.00 0.64 2.57 -0.00 -1.06 -1.43 115.31 115.35 1y0c h LEU 68 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1y0c h LEU 68 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 1y0c h LEU 68 CO 0.04 0.18 -0.44 1.23 -0.00 0.00 0.00 178.44 179.45 1y0c h GLY 69 N 0.82 -1.22 0.92 0.83 0.00 -1.19 0.55 103.07 103.78 1y0c h GLY 69 Ca -0.00 0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.87 1y0c h GLY 69 CO 0.02 -0.40 0.59 0.00 0.00 0.00 0.00 176.54 176.75 1y0c h ALA 70 N -1.20 1.18 0.21 3.60 0.00 -1.20 -0.63 119.26 121.22 1y0c h ALA 70 Ca -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y0c h ALA 70 Cb 0.83 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y0c h ALA 70 CO 0.06 0.48 -0.16 0.35 0.00 0.00 0.00 179.25 179.98 1y0c h PHE 71 N 1.17 -0.41 -0.60 0.00 3.57 -1.01 -2.27 116.94 117.40 1y0c h PHE 71 Ca 0.35 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.97 1y0c h PHE 71 Cb -0.05 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.75 1y0c h PHE 71 CO -0.01 -0.24 0.08 1.03 -2.23 0.00 0.00 178.31 176.93 1y0c h SER 72 N -0.37 -0.10 0.08 0.41 0.87 0.90 0.14 113.55 115.47 1y0c h SER 72 Ca -0.01 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1y0c h SER 72 Cb 0.33 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1y0c h SER 72 CO -0.00 -0.04 -0.09 0.44 -0.53 0.00 0.00 176.83 176.60 1y0c h ASP 73 N 0.20 0.04 0.59 6.23 3.32 -0.98 -2.64 116.42 123.17 1y0c h ASP 73 Ca 0.31 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.29 1y0c h ASP 73 Cb 0.49 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1y0c h ASP 73 CO -0.44 0.14 -0.31 1.23 -1.72 0.00 0.00 179.24 178.14 1y0c h GLY 74 N 0.36 0.00 1.43 2.75 0.00 -0.13 -2.99 103.07 104.50 1y0c h GLY 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1y0c h GLY 74 CO 0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.59 1y0c n LEU 75 N -3.72 0.00 -0.01 3.11 4.77 -0.99 -1.44 117.00 118.71 1y0c n LEU 75 Ca -0.01 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1y0c n LEU 75 Cb 0.41 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1y0c n LEU 75 CO 0.36 -0.09 0.21 0.00 -1.33 0.00 0.00 177.39 176.54 1y0c n ALA 76 N -1.21 4.13 -2.57 -1.18 0.00 -1.13 -4.22 120.51 114.33 1y0c n ALA 76 Ca 0.10 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1y0c n ALA 76 Cb 0.12 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.66 1y0c n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0c n HIS 77 N -1.45 1.87 0.17 0.00 8.25 -0.52 -4.88 115.22 118.65 1y0c n HIS 77 Ca 0.05 -2.51 0.09 0.00 -0.26 0.00 0.00 57.72 55.09 1y0c n HIS 77 Cb 0.34 -0.27 0.46 0.00 1.12 0.00 0.00 29.99 31.63 1y0c n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y0c n LEU 78 N -0.44 0.45 -0.20 2.41 7.94 -1.21 -0.09 117.00 125.86 1y0c n LEU 78 Ca 0.20 0.69 0.12 0.00 -1.11 0.00 0.00 56.01 55.91 1y0c n LEU 78 Cb 0.82 -0.73 0.15 0.00 0.53 0.00 0.00 43.42 44.18 1y0c n LEU 78 CO 0.24 -0.80 0.37 0.47 -1.11 0.00 0.00 177.39 176.55 1y0c n ASP 79 N -2.09 1.14 -2.79 1.96 10.43 -1.26 -0.21 116.55 123.73 1y0c n ASP 79 Ca -0.01 -0.92 -0.10 0.00 2.57 0.00 0.00 54.79 56.34 1y0c n ASP 79 Cb 0.06 0.43 0.06 0.00 1.84 0.00 0.00 41.12 43.51 1y0c n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y0c n ASN 80 N -0.88 -2.22 0.04 -2.24 5.15 0.87 -4.94 115.26 111.05 1y0c n ASN 80 Ca 0.08 -3.46 -0.03 0.00 -0.60 0.00 0.00 54.58 50.57 1y0c n ASN 80 Cb 0.37 1.60 0.21 0.00 -0.53 0.00 0.00 39.78 41.43 1y0c n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y0c h LEU 81 N 3.43 0.41 0.10 1.20 3.38 -1.67 -0.93 115.31 121.23 1y0c h LEU 81 Ca -0.10 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1y0c h LEU 81 Cb 1.05 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1y0c h LEU 81 CO 0.25 0.70 -0.26 0.50 0.09 0.00 0.00 178.44 179.71 1y0c h LYS 82 N 0.35 -0.44 0.00 1.13 1.63 -1.89 0.08 116.57 117.42 1y0c h LYS 82 Ca 0.05 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 1y0c h LYS 82 Cb 0.71 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1y0c h LYS 82 CO 0.05 -0.30 -0.63 0.78 -3.45 0.00 0.00 179.45 175.91 1y0c h GLY 83 N -0.46 0.00 1.30 5.01 0.00 -1.94 -2.64 103.07 104.34 1y0c h GLY 83 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 1y0c h GLY 83 CO -0.16 0.00 -0.10 -0.84 0.00 0.00 0.00 176.54 175.44 1y0c h THR 84 N 0.00 1.26 -0.44 4.70 2.02 -0.66 -3.28 112.91 116.51 1y0c h THR 84 Ca -0.01 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1y0c h THR 84 Cb 1.12 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1y0c h THR 84 CO 0.08 0.41 0.00 0.49 0.37 0.00 0.00 175.52 176.87 1y0c n PHE 85 N -4.16 1.01 -0.14 3.16 3.01 -0.03 -4.72 117.46 115.59 1y0c n PHE 85 Ca 0.02 -0.65 -0.04 0.00 1.01 0.00 0.00 57.45 57.78 1y0c n PHE 85 Cb 0.37 -0.20 0.04 0.00 -0.01 0.00 0.00 39.48 39.69 1y0c n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y0c h ALA 86 N 2.79 0.51 -0.09 4.37 0.00 -1.54 0.36 119.26 125.66 1y0c h ALA 86 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1y0c h ALA 86 Cb 1.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1y0c h ALA 86 CO 0.16 -0.27 -0.67 1.15 0.00 0.00 0.00 179.25 179.62 1y0c h THR 87 N 0.28 1.38 -0.12 0.00 2.02 -1.86 -1.94 112.91 112.67 1y0c h THR 87 Ca 0.21 -2.06 -0.13 0.00 0.77 0.00 0.00 66.41 65.20 1y0c h THR 87 Cb 0.23 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1y0c h THR 87 CO -0.24 0.62 -0.50 0.25 0.37 0.00 0.00 175.52 176.01 1y0c h LEU 88 N 0.26 0.35 -0.46 2.58 5.85 -1.82 -1.36 115.31 120.72 1y0c h LEU 88 Ca -0.02 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1y0c h LEU 88 Cb 1.22 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1y0c h LEU 88 CO 0.11 0.80 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.68 1y0c h SER 89 N 0.25 0.84 0.29 1.25 0.87 -0.05 -2.09 113.55 114.91 1y0c h SER 89 Ca 0.01 -0.34 -0.17 0.00 -1.23 0.00 0.00 61.79 60.07 1y0c h SER 89 Cb 0.98 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1y0c h SER 89 CO 0.08 0.98 -0.66 -0.33 -0.53 0.00 0.00 176.83 176.37 1y0c h GLU 90 N 0.69 0.34 -0.34 2.24 5.08 -1.30 -2.92 114.58 118.38 1y0c h GLU 90 Ca 0.12 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1y0c h GLU 90 Cb 0.58 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1y0c h GLU 90 CO 0.03 0.88 0.13 1.25 -1.00 0.00 0.00 179.01 180.31 1y0c h LEU 91 N 0.25 0.46 -1.31 1.33 5.85 -1.01 -0.21 115.31 120.67 1y0c h LEU 91 Ca -0.02 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1y0c h LEU 91 Cb 1.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1y0c h LEU 91 CO 0.11 0.50 -0.13 0.45 -0.34 0.00 0.00 178.44 179.03 1y0c h HIS 92 N 0.40 0.32 0.00 1.25 3.86 -1.43 0.28 115.15 119.82 1y0c h HIS 92 Ca 0.11 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1y0c h HIS 92 Cb 0.18 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1y0c h HIS 92 CO -0.00 0.43 -0.00 0.00 0.86 0.00 0.00 177.93 179.22 1y0c h ASP 94 N -0.19 0.26 0.00 0.00 3.32 -1.12 -2.95 116.42 115.74 1y0c h ASP 94 Ca 0.00 -0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.72 1y0c h ASP 94 Cb 0.00 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1y0c h ASP 94 CO 0.00 0.63 -1.80 0.29 -1.72 0.00 0.00 179.24 176.65 1y0c n LYS 95 N -4.04 0.32 0.12 3.56 4.01 0.82 -4.77 118.16 118.18 1y0c n LYS 95 Ca -0.01 0.11 0.12 0.00 -0.51 0.00 0.00 58.31 58.02 1y0c n LYS 95 Cb 0.47 -1.11 0.05 0.00 -0.51 0.00 0.00 35.03 33.93 1y0c n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y0c h LEU 96 N -0.33 0.00 -1.95 -0.35 3.38 -1.22 -3.49 115.31 111.35 1y0c h LEU 96 Ca -0.34 -0.03 -0.42 0.00 0.09 0.00 0.00 57.88 57.17 1y0c h LEU 96 Cb 1.38 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.18 1y0c h LEU 96 CO -0.16 0.01 -0.85 1.41 0.09 0.00 0.00 178.44 178.95 1y0c n HIS 97 N -2.67 -1.90 -3.55 1.13 8.25 -0.13 -4.95 115.22 111.41 1y0c n HIS 97 Ca 0.01 0.79 -0.37 0.00 -0.26 0.00 0.00 57.72 57.90 1y0c n HIS 97 Cb 0.53 -4.22 -0.08 0.00 1.12 0.00 0.00 29.99 27.35 1y0c n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y0c s VAL 98 N -3.68 5.30 0.06 1.59 1.01 0.35 -5.02 120.40 120.01 1y0c s VAL 98 Ca 0.06 0.46 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 1y0c s VAL 98 Cb -0.02 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1y0c s VAL 98 CO 0.82 0.34 1.32 -0.62 0.00 0.00 0.00 175.10 176.97 1y0c s ASP 99 N 0.78 6.93 0.35 3.32 3.68 -1.26 -4.70 116.67 125.77 1y0c s ASP 99 Ca 0.14 2.14 0.20 0.00 2.13 0.00 0.00 52.55 57.16 1y0c s ASP 99 Cb -0.13 -2.58 1.08 0.00 -1.45 0.00 0.00 42.92 39.84 1y0c s ASP 99 CO 0.04 -0.61 1.57 -0.65 0.13 0.00 0.00 175.17 175.66 1y0c h PRO 100 N 7.10 0.00 -0.26 4.34 0.11 -1.96 -1.35 132.00 139.97 1y0c h PRO 100 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1y0c h PRO 100 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1y0c h PRO 100 CO 0.86 0.00 0.17 1.49 -0.21 0.00 0.00 178.00 180.31 1y0c h GLU 101 N 0.00 0.35 -0.55 1.05 4.57 -1.98 -0.72 114.58 117.30 1y0c h GLU 101 Ca 0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1y0c h GLU 101 Cb 0.25 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1y0c h GLU 101 CO 0.00 0.24 0.37 -0.91 -1.18 0.00 0.00 179.01 177.52 1y0c h ASN 102 N 0.36 0.46 -0.69 1.04 -0.26 -1.63 -0.43 115.58 114.43 1y0c h ASN 102 Ca 0.10 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.76 1y0c h ASN 102 Cb -0.03 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.10 1y0c h ASN 102 CO -0.02 0.31 0.15 -0.26 -1.06 0.00 0.00 177.43 176.54 1y0c h PHE 103 N 0.53 1.19 -0.04 1.19 0.04 -1.30 -1.31 116.94 117.23 1y0c h PHE 103 Ca 0.24 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1y0c h PHE 103 Cb 0.26 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 1y0c h PHE 103 CO -0.00 0.97 -0.01 0.00 -0.60 0.00 0.00 178.31 178.68 1y0c h ARG 104 N 1.06 0.08 -0.41 1.51 3.08 -1.22 -2.28 114.38 116.20 1y0c h ARG 104 Ca 0.21 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1y0c h ARG 104 Cb 0.40 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1y0c h ARG 104 CO 0.01 0.40 0.15 -0.07 -1.07 0.00 0.00 179.97 179.39 1y0c h LEU 105 N -0.24 0.16 -0.50 3.04 3.38 -0.96 -2.31 115.31 117.88 1y0c h LEU 105 Ca 0.01 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1y0c h LEU 105 Cb 0.37 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1y0c h LEU 105 CO 0.00 0.13 0.31 0.25 0.09 0.00 0.00 178.44 179.22 1y0c h LEU 106 N 0.31 0.52 -0.43 1.67 5.85 -1.20 -0.92 115.31 121.11 1y0c h LEU 106 Ca 0.19 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.99 1y0c h LEU 106 Cb 0.17 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 1y0c h LEU 106 CO -0.19 0.37 -0.25 1.23 -0.34 0.00 0.00 178.44 179.26 1y0c h GLY 107 N 0.63 -0.02 1.09 3.75 0.00 -0.94 1.15 103.07 108.73 1y0c h GLY 107 Ca 0.19 0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.80 1y0c h GLY 107 CO -0.07 -0.21 0.28 3.43 0.00 0.00 0.00 176.54 179.97 1y0c h ASN 108 N -0.17 1.07 -0.02 0.19 2.35 -1.12 -0.56 115.58 117.32 1y0c h ASN 108 Ca 0.20 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1y0c h ASN 108 Cb 0.49 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1y0c h ASN 108 CO -0.53 0.97 0.01 0.58 -1.65 0.00 0.00 177.43 176.80 1y0c h VAL 109 N 1.12 1.06 -0.49 2.81 2.07 0.41 -2.39 116.25 120.84 1y0c h VAL 109 Ca 0.25 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1y0c h VAL 109 Cb 0.25 1.14 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 1y0c h VAL 109 CO -0.02 0.05 -0.32 0.25 0.02 0.00 0.00 177.57 177.56 1y0c h LEU 110 N -0.04 -1.07 -1.38 2.57 5.85 0.17 -0.55 115.31 120.86 1y0c h LEU 110 Ca 0.01 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.99 1y0c h LEU 110 Cb 0.07 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1y0c h LEU 110 CO -0.00 -0.30 0.47 0.58 -0.34 0.00 0.00 178.44 178.85 1y0c h VAL 111 N -0.20 1.02 -0.34 1.05 2.07 -0.89 -1.74 116.25 117.22 1y0c h VAL 111 Ca 0.20 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1y0c h VAL 111 Cb 0.54 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1y0c h VAL 111 CO -0.60 0.14 -0.32 0.00 0.02 0.00 0.00 177.57 176.81 1y0c h VAL 113 N 0.63 1.25 -0.91 0.00 2.07 -0.50 -1.83 116.25 116.96 1y0c h VAL 113 Ca 0.07 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1y0c h VAL 113 Cb 0.85 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 1y0c h VAL 113 CO 0.07 0.29 0.53 -0.07 0.02 0.00 0.00 177.57 178.41 1y0c h LEU 114 N 0.30 1.11 -0.62 2.57 3.38 -1.27 -0.83 115.31 119.95 1y0c h LEU 114 Ca 0.08 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1y0c h LEU 114 Cb 0.41 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1y0c h LEU 114 CO 0.01 0.86 -0.12 0.00 0.09 0.00 0.00 178.44 179.28 1y0c h ALA 115 N 1.29 0.82 -0.34 1.53 0.00 -1.36 0.96 119.26 122.15 1y0c h ALA 115 Ca 0.32 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1y0c h ALA 115 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1y0c h ALA 115 CO -0.06 0.66 0.13 1.25 0.00 0.00 0.00 179.25 181.23 1y0c h HIS 116 N 0.86 0.24 0.16 0.00 6.17 -0.78 -0.16 115.15 121.64 1y0c h HIS 116 Ca 0.13 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1y0c h HIS 116 Cb 0.67 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 30.55 1y0c h HIS 116 CO 0.04 0.11 -0.07 0.45 0.71 0.00 0.00 177.93 179.17 1y0c h HIS 117 N 0.29 -0.19 -0.02 5.26 -0.00 -1.07 -3.37 115.15 116.04 1y0c h HIS 117 Ca 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1y0c h HIS 117 Cb 0.11 0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1y0c h HIS 117 CO -0.13 0.25 -0.09 1.19 -0.00 0.00 0.00 177.93 179.15 1y0c n PHE 118 N -4.94 0.00 0.00 2.45 3.01 0.32 -5.00 117.46 113.30 1y0c n PHE 118 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1y0c n PHE 118 Cb 0.27 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1y0c n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y0c n GLY 119 N 1.29 1.66 0.32 1.37 0.00 -0.07 -0.46 105.19 109.30 1y0c n GLY 119 Ca 0.15 0.31 0.07 0.00 0.00 0.00 0.00 46.02 46.55 1y0c n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y0c h LYS 120 N 0.00 0.02 -0.27 1.61 2.10 -1.95 -1.29 116.57 116.79 1y0c h LYS 120 Ca 0.00 -0.00 0.08 0.00 -2.00 0.00 0.00 60.65 58.73 1y0c h LYS 120 Cb 0.00 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1y0c h LYS 120 CO 0.00 0.01 0.25 1.49 -2.00 0.00 0.00 179.45 179.20 1y0c h GLU 121 N 0.02 0.00 -3.43 0.07 4.81 -1.17 -3.27 114.58 111.61 1y0c h GLU 121 Ca 0.47 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.94 1y0c h GLU 121 Cb 0.81 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.02 1y0c h GLU 121 CO -0.88 0.00 1.88 0.34 -0.73 0.00 0.00 179.01 179.61 1y0c n PHE 122 N -4.04 2.85 -1.52 0.92 7.35 -0.49 -4.91 117.46 117.62 1y0c n PHE 122 Ca 0.04 -2.76 -0.31 0.00 -0.76 0.00 0.00 57.45 53.65 1y0c n PHE 122 Cb 0.40 -1.86 0.06 0.00 0.35 0.00 0.00 39.48 38.43 1y0c n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0c s THR 123 N -0.01 3.70 0.23 -2.13 -4.23 -1.24 -4.71 115.64 107.25 1y0c s THR 123 Ca 0.38 0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 61.38 1y0c s THR 123 Cb 0.09 -3.20 0.26 0.00 1.34 0.00 0.00 72.50 70.99 1y0c s THR 123 CO 0.02 -0.68 1.63 -0.65 -0.54 0.00 0.00 174.62 174.40 1y0c h PRO 124 N -0.70 0.05 -0.55 3.99 0.11 -1.94 0.67 132.00 133.64 1y0c h PRO 124 Ca -0.44 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 1y0c h PRO 124 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1y0c h PRO 124 CO 0.55 0.03 0.07 -1.35 -0.21 0.00 0.00 178.00 177.09 1y0c h PRO 125 N 0.05 0.88 -0.19 1.05 0.11 -1.99 0.67 132.00 132.57 1y0c h PRO 125 Ca 0.36 -0.22 -0.16 0.00 0.11 0.00 0.00 66.00 66.10 1y0c h PRO 125 Cb 0.59 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 1y0c h PRO 125 CO -0.66 0.83 -0.52 0.28 -0.21 0.00 0.00 178.00 177.72 1y0c h VAL 126 N 0.83 1.32 -0.34 3.15 2.07 -0.90 -2.86 116.25 119.52 1y0c h VAL 126 Ca 0.17 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1y0c h VAL 126 Cb 0.40 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1y0c h VAL 126 CO 0.01 0.55 0.15 -0.61 0.02 0.00 0.00 177.57 177.69 1y0c h GLN 127 N 0.43 0.50 -0.78 1.57 4.15 0.53 -2.30 115.11 119.21 1y0c h GLN 127 Ca 0.01 -0.08 0.15 0.00 0.77 0.00 0.00 58.65 59.50 1y0c h GLN 127 Cb 1.06 -0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.57 1y0c h GLN 127 CO 0.10 0.47 0.31 0.00 -1.93 0.00 0.00 178.83 177.78 1y0c h ALA 128 N 1.00 1.11 -0.29 3.38 0.00 -0.78 0.71 119.26 124.38 1y0c h ALA 128 Ca 0.11 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1y0c h ALA 128 Cb 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1y0c h ALA 128 CO -0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 179.25 178.58 1y0c h ALA 129 N 1.57 0.69 -0.33 0.00 0.00 -1.34 -2.85 119.26 116.99 1y0c h ALA 129 Ca 0.43 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1y0c h ALA 129 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1y0c h ALA 129 CO -0.42 0.67 -0.19 1.88 0.00 0.00 0.00 179.25 181.19 1y0c h TYR 130 N 0.59 0.68 -0.94 0.00 0.05 -0.64 -2.08 116.97 114.64 1y0c h TYR 130 Ca 0.04 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1y0c h TYR 130 Cb 0.99 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.51 1y0c h TYR 130 CO 0.05 0.76 0.60 1.96 -1.05 0.00 0.00 178.16 180.49 1y0c h GLN 131 N 0.55 1.25 -0.09 4.88 1.08 -0.85 0.25 115.11 122.18 1y0c h GLN 131 Ca 0.09 -0.09 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 1y0c h GLN 131 Cb 0.63 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1y0c h GLN 131 CO 0.04 0.84 -0.46 0.87 -0.95 0.00 0.00 178.83 179.18 1y0c h LYS 132 N 1.28 0.21 -0.02 1.46 1.57 -1.19 -2.09 116.57 117.78 1y0c h LYS 132 Ca 0.34 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1y0c h LYS 132 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1y0c h LYS 132 CO -0.07 0.63 -0.05 0.28 -0.57 0.00 0.00 179.45 179.67 1y0c h VAL 133 N 0.17 1.46 -0.86 0.50 2.07 -0.57 -0.47 116.25 118.54 1y0c h VAL 133 Ca 0.01 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1y0c h VAL 133 Cb 0.87 2.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1y0c h VAL 133 CO 0.07 0.38 0.53 -0.37 0.02 0.00 0.00 177.57 178.20 1y0c h VAL 134 N -0.49 1.23 -0.39 2.57 -1.51 -0.52 0.31 116.25 117.46 1y0c h VAL 134 Ca -0.00 -0.49 -0.07 0.00 -1.23 0.00 0.00 66.70 64.91 1y0c h VAL 134 Cb 0.64 0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 29.79 1y0c h VAL 134 CO 0.01 0.24 -0.04 0.00 -1.23 0.00 0.00 177.57 176.55 1y0c h ALA 135 N 1.40 0.53 -0.51 5.19 0.00 -1.41 -1.16 119.26 123.30 1y0c h ALA 135 Ca 0.31 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1y0c h ALA 135 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1y0c h ALA 135 CO -0.06 0.34 0.31 0.78 0.00 0.00 0.00 179.25 180.62 1y0c h GLY 136 N 0.52 0.73 0.94 0.00 0.00 -0.29 -1.10 103.07 103.88 1y0c h GLY 136 Ca 0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1y0c h GLY 136 CO 0.03 0.29 0.16 -2.08 0.00 0.00 0.00 176.54 174.94 1y0c h VAL 137 N 0.68 1.19 -0.77 4.60 2.07 -0.24 -0.51 116.25 123.27 1y0c h VAL 137 Ca 0.18 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1y0c h VAL 137 Cb -0.02 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1y0c h VAL 137 CO -0.03 0.21 0.39 0.00 0.02 0.00 0.00 177.57 178.15 1y0c h ALA 138 N 1.00 1.23 -0.45 1.67 0.00 -0.96 0.03 119.26 121.78 1y0c h ALA 138 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1y0c h ALA 138 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1y0c h ALA 138 CO -0.01 0.60 0.12 -0.91 0.00 0.00 0.00 179.25 179.05 1y0c h ASN 139 N 1.09 0.67 -0.59 0.00 2.35 -1.00 -1.19 115.58 116.91 1y0c h ASN 139 Ca 0.27 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 1y0c h ASN 139 Cb 0.08 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 1y0c h ASN 139 CO -0.04 0.71 0.04 0.00 -1.65 0.00 0.00 177.43 176.49 1y0c h ALA 140 N 0.98 0.91 -0.04 -0.83 0.00 -0.62 -1.64 119.26 118.03 1y0c h ALA 140 Ca 0.14 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1y0c h ALA 140 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1y0c h ALA 140 CO -0.00 0.65 -0.29 -0.07 0.00 0.00 0.00 179.25 179.54 1y0c h LEU 141 N 0.96 0.08 0.00 0.00 3.38 -0.69 -2.92 115.31 116.12 1y0c h LEU 141 Ca 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1y0c h LEU 141 Cb 0.50 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1y0c h LEU 141 CO 0.02 0.37 -0.63 0.00 0.09 0.00 0.00 178.44 178.29 1y0c h ALA 142 N 1.64 0.71 -0.98 1.53 0.00 -0.98 -3.40 119.26 117.78 1y0c h ALA 142 Ca 0.01 -0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.12 1y0c h ALA 142 Cb 0.56 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.19 1y0c h ALA 142 CO 0.04 0.11 0.14 1.25 0.00 0.00 0.00 179.25 180.80 1y0c h HIS 143 N 0.00 0.15 -0.49 0.00 6.17 -1.09 -1.74 115.15 118.14 1y0c h HIS 143 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1y0c h HIS 143 Cb 1.07 0.09 0.00 0.00 2.52 0.00 0.00 27.41 31.09 1y0c h HIS 143 CO 0.00 -0.41 0.00 1.63 0.71 0.00 0.00 177.93 179.86 1y0c n LYS 144 N -5.42 3.62 -2.47 5.26 4.76 -1.26 -4.93 118.16 117.72 1y0c n LYS 144 Ca 0.26 -2.39 -0.39 0.00 -2.87 0.00 0.00 58.31 52.91 1y0c n LYS 144 Cb 0.84 -1.93 -0.04 0.00 -1.84 0.00 0.00 35.03 32.06 1y0c n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y0c s TYR 145 N -2.07 3.45 0.00 2.13 2.02 -0.66 -4.75 117.35 117.48 1y0c s TYR 145 Ca 0.42 1.67 0.00 0.00 -0.37 0.00 0.00 57.07 58.79 1y0c s TYR 145 Cb 0.29 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.60 1y0c s TYR 145 CO 0.17 -0.65 0.00 -2.39 -1.57 0.00 0.00 175.55 171.11