#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 3.48 -3.59 3.52 -0.00 -1.26 -5.05 115.22 112.32 1y0c n HIS 2 Ca 0.00 -3.99 -0.39 0.00 -0.00 0.00 0.00 57.72 53.34 1y0c n HIS 2 Cb 0.00 -0.69 -0.11 0.00 -0.00 0.00 0.00 29.99 29.19 1y0c n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1y0c s LEU 3 N -2.32 4.32 0.75 0.27 2.96 -1.26 -5.06 118.68 118.35 1y0c s LEU 3 Ca 0.36 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.70 1y0c s LEU 3 Cb 0.10 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1y0c s LEU 3 CO -0.03 -0.21 1.15 0.42 -1.32 0.00 0.00 176.35 176.36 1y0c s THR 4 N 1.68 2.71 0.25 3.68 -4.23 -1.26 -4.72 115.64 113.74 1y0c s THR 4 Ca 0.05 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1y0c s THR 4 Cb -0.17 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.16 1y0c s THR 4 CO 0.09 -0.23 1.76 1.55 -0.54 0.00 0.00 174.62 177.24 1y0c h PRO 5 N -0.66 0.55 0.00 3.99 0.13 -1.99 0.22 132.00 134.24 1y0c h PRO 5 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1y0c h PRO 5 Cb 1.26 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1y0c h PRO 5 CO 0.50 0.36 0.00 1.05 -0.23 0.00 0.00 178.00 179.68 1y0c h GLU 6 N 0.57 0.00 0.11 0.86 4.11 -2.00 -1.30 114.58 116.93 1y0c h GLU 6 Ca 0.42 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.55 1y0c h GLU 6 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1y0c h GLU 6 CO -0.35 0.00 -1.52 0.93 0.07 0.00 0.00 179.01 178.13 1y0c h GLU 7 N 0.00 0.22 -0.18 1.06 5.08 -0.96 -3.11 114.58 116.69 1y0c h GLU 7 Ca 0.00 -0.38 -0.10 0.00 -1.00 0.00 0.00 59.36 57.88 1y0c h GLU 7 Cb 0.38 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1y0c h GLU 7 CO 0.00 1.07 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.56 1y0c h LYS 8 N 0.06 0.36 0.05 2.33 3.64 -0.32 -0.05 116.57 122.64 1y0c h LYS 8 Ca -0.24 -0.14 -0.26 0.00 -1.27 0.00 0.00 60.65 58.74 1y0c h LYS 8 Cb 2.00 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 33.83 1y0c h LYS 8 CO 0.15 0.63 -1.03 0.66 -2.27 0.00 0.00 179.45 177.59 1y0c h SER 9 N 0.32 0.83 -0.70 4.20 4.64 -1.37 -2.67 113.55 118.79 1y0c h SER 9 Ca 0.04 -0.78 -0.06 0.00 -0.47 0.00 0.00 61.79 60.52 1y0c h SER 9 Cb 0.69 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1y0c h SER 9 CO 0.05 1.51 0.20 0.00 -0.87 0.00 0.00 176.83 177.72 1y0c h ALA 10 N 0.33 0.92 0.36 5.18 0.00 -1.45 0.49 119.26 125.10 1y0c h ALA 10 Ca -0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1y0c h ALA 10 Cb 1.71 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1y0c h ALA 10 CO 0.20 0.62 -0.17 0.28 0.00 0.00 0.00 179.25 180.17 1y0c h VAL 11 N 1.04 0.65 -0.59 0.00 2.07 -1.01 -2.96 116.25 115.45 1y0c h VAL 11 Ca 0.22 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1y0c h VAL 11 Cb 0.33 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1y0c h VAL 11 CO -0.00 0.01 0.32 0.74 0.02 0.00 0.00 177.57 178.66 1y0c h THR 12 N -0.52 1.19 0.14 2.57 2.02 -1.29 -1.75 112.91 115.26 1y0c h THR 12 Ca -0.05 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1y0c h THR 12 Cb 0.39 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1y0c h THR 12 CO 0.08 0.21 -0.12 0.00 0.37 0.00 0.00 175.52 176.06 1y0c h ALA 13 N 1.15 -0.25 -0.09 6.16 0.00 0.00 -2.55 119.26 123.69 1y0c h ALA 13 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1y0c h ALA 13 Cb 0.04 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y0c h ALA 13 CO -0.03 -0.65 0.04 1.25 0.00 0.00 0.00 179.25 179.85 1y0c h LEU 14 N -0.27 0.12 -1.88 0.00 5.85 -1.47 -1.97 115.31 115.68 1y0c h LEU 14 Ca -0.00 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1y0c h LEU 14 Cb 0.25 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1y0c h LEU 14 CO -0.02 0.22 0.46 -0.25 -0.34 0.00 0.00 178.44 178.51 1y0c h TRP 15 N 0.01 0.00 0.00 1.25 2.91 -1.22 0.47 115.95 119.36 1y0c h TRP 15 Ca 0.03 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.99 1y0c h TRP 15 Cb 0.14 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 1y0c h TRP 15 CO -0.03 0.00 -0.27 0.78 -1.03 0.00 0.00 178.44 177.89 1y0c h GLY 16 N 0.00 0.00 1.54 2.65 0.00 -0.92 -2.95 103.07 103.39 1y0c h GLY 16 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1y0c h GLY 16 CO -0.00 0.00 -0.30 0.28 0.00 0.00 0.00 176.54 176.52 1y0c n LYS 17 N -4.09 0.16 -2.82 4.80 5.02 0.16 -4.91 118.16 116.48 1y0c n LYS 17 Ca -0.02 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1y0c n LYS 17 Cb 0.33 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 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 -3.08 4.15 -0.76 -0.18 1.01 -1.12 -5.02 120.40 115.41 1y0c s VAL 18 Ca 0.10 1.98 -0.15 0.00 0.00 0.00 0.00 61.98 63.91 1y0c s VAL 18 Cb 0.15 -4.28 0.19 0.00 0.00 0.00 0.00 36.38 32.44 1y0c s VAL 18 CO 0.64 0.51 0.73 0.21 0.00 0.00 0.00 175.10 177.19 1y0c s ASN 19 N -1.17 6.60 0.51 3.32 3.84 -1.26 -4.94 114.94 121.83 1y0c s ASN 19 Ca 0.39 -2.38 0.20 0.00 0.21 0.00 0.00 52.86 51.29 1y0c s ASN 19 Cb -0.25 -2.23 1.29 0.00 -0.55 0.00 0.00 41.25 39.50 1y0c s ASN 19 CO 0.30 -0.70 2.04 -0.37 -2.79 0.00 0.00 177.10 175.58 1y0c h VAL 20 N 5.17 0.84 0.59 -5.21 -1.51 -1.95 0.12 116.25 114.30 1y0c h VAL 20 Ca -0.00 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.41 1y0c h VAL 20 Cb 1.05 0.75 0.01 0.00 -2.13 0.00 0.00 31.29 30.97 1y0c h VAL 20 CO 0.86 0.02 -0.28 0.44 -1.23 0.00 0.00 177.57 177.37 1y0c h ASP 21 N 0.08 -0.67 0.08 4.19 3.32 -1.92 0.11 116.42 121.62 1y0c h ASP 21 Ca 0.19 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1y0c h ASP 21 Cb 0.63 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1y0c h ASP 21 CO -0.02 -0.45 -0.04 -0.08 -1.72 0.00 0.00 179.24 176.94 1y0c h GLU 22 N -0.84 -0.11 -0.46 3.56 4.81 -1.76 -2.91 114.58 116.87 1y0c h GLU 22 Ca -0.08 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1y0c h GLU 22 Cb 0.63 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1y0c h GLU 22 CO 0.13 0.22 0.19 0.28 -0.73 0.00 0.00 179.01 179.10 1y0c h VAL 23 N -0.44 1.17 -0.05 0.32 2.07 -0.85 -1.77 116.25 116.70 1y0c h VAL 23 Ca -0.01 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1y0c h VAL 23 Cb 0.37 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1y0c h VAL 23 CO 0.02 0.21 0.02 1.23 0.02 0.00 0.00 177.57 179.07 1y0c h GLY 24 N 0.80 0.06 1.21 2.17 0.00 -0.91 -0.75 103.07 105.65 1y0c h GLY 24 Ca 0.16 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1y0c h GLY 24 CO -0.02 0.02 0.12 -1.33 0.00 0.00 0.00 176.54 175.33 1y0c h GLY 25 N 0.05 1.05 0.65 4.60 0.00 -1.29 -2.17 103.07 105.95 1y0c h GLY 25 Ca 0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1y0c h GLY 25 CO -0.02 0.61 -0.00 0.83 0.00 0.00 0.00 176.54 177.96 1y0c h GLU 26 N 0.92 0.04 -0.23 4.80 4.39 -1.14 -1.40 114.58 121.95 1y0c h GLU 26 Ca 0.19 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.84 1y0c h GLU 26 Cb 0.37 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1y0c h GLU 26 CO 0.01 0.40 -0.00 0.00 -1.16 0.00 0.00 179.01 178.25 1y0c h ALA 27 N 0.64 0.31 -0.51 3.43 0.00 -1.13 -1.76 119.26 120.25 1y0c h ALA 27 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1y0c h ALA 27 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1y0c h ALA 27 CO 0.00 0.04 0.07 1.25 0.00 0.00 0.00 179.25 180.62 1y0c h LEU 28 N 0.18 0.81 0.07 0.00 5.85 -1.46 -1.91 115.31 118.86 1y0c h LEU 28 Ca 0.07 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1y0c h LEU 28 Cb 0.41 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1y0c h LEU 28 CO 0.01 0.87 -0.08 1.23 -0.34 0.00 0.00 178.44 180.13 1y0c h GLY 29 N 0.72 -0.16 1.42 3.75 0.00 -1.23 -2.49 103.07 105.09 1y0c h GLY 29 Ca 0.15 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1y0c h GLY 29 CO 0.01 -0.09 0.34 3.21 0.00 0.00 0.00 176.54 180.01 1y0c h ARG 30 N -0.18 0.59 -0.27 4.80 3.08 -1.28 -1.66 114.38 119.45 1y0c h ARG 30 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1y0c h ARG 30 Cb 0.18 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1y0c h ARG 30 CO -0.03 0.39 0.10 1.25 -1.07 0.00 0.00 179.97 180.61 1y0c h LEU 31 N 0.61 0.39 -1.32 3.04 5.85 -1.05 0.36 115.31 123.18 1y0c h LEU 31 Ca 0.20 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1y0c h LEU 31 Cb 0.05 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1y0c h LEU 31 CO -0.05 0.47 0.00 -0.07 -0.34 0.00 0.00 178.44 178.45 1y0c h LEU 32 N 0.28 0.00 0.01 2.25 3.38 -0.88 -1.31 115.31 119.03 1y0c h LEU 32 Ca 0.09 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 1y0c h LEU 32 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1y0c h LEU 32 CO -0.01 0.00 -1.33 0.52 0.09 0.00 0.00 178.44 177.71 1y0c n VAL 33 N -2.93 1.55 0.04 1.22 0.31 -0.85 -3.68 118.33 113.99 1y0c n VAL 33 Ca 0.01 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1y0c n VAL 33 Cb 0.29 -2.02 -0.01 0.00 -0.91 0.00 0.00 33.84 31.19 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 -0.95 1.35 -2.36 2.52 2.07 -0.29 -3.36 116.25 115.24 1y0c h VAL 34 Ca -0.36 -2.16 -0.60 0.00 0.82 0.00 0.00 66.70 64.40 1y0c h VAL 34 Cb 1.35 2.15 -0.41 0.00 -1.52 0.00 0.00 31.29 32.85 1y0c h VAL 34 CO -0.20 0.66 -0.70 -1.22 0.02 0.00 0.00 177.57 176.12 1y0c n TYR 35 N -3.84 2.57 0.24 1.57 4.01 -0.50 -4.95 117.16 116.26 1y0c n TYR 35 Ca -0.06 -4.03 0.16 0.00 -0.16 0.00 0.00 57.90 53.81 1y0c n TYR 35 Cb 0.75 -0.48 0.72 0.00 -0.31 0.00 0.00 39.34 40.02 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 4.50 0.00 0.00 -0.72 0.13 -1.72 0.20 132.00 134.39 1y0c h PRO 36 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 1y0c h PRO 36 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 1y0c h PRO 36 CO 0.72 0.00 -0.17 0.11 -0.23 0.00 0.00 178.00 178.43 1y0c h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.90 -2.14 115.95 113.56 1y0c h TRP 37 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.06 1y0c h TRP 37 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.21 1y0c h TRP 37 CO 0.00 0.17 0.00 0.25 0.09 0.00 0.00 178.44 178.95 1y0c n THR 38 N -3.90 1.44 0.55 0.12 -2.24 0.72 -1.79 114.28 109.19 1y0c n THR 38 Ca -0.02 0.53 0.10 0.00 -2.27 0.00 0.00 64.05 62.39 1y0c n THR 38 Cb 0.26 -1.49 0.43 0.00 -2.10 0.00 0.00 70.33 67.43 1y0c n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y0c n GLN 39 N -1.83 0.10 0.07 -0.78 6.02 -0.80 -3.40 117.38 116.76 1y0c n GLN 39 Ca 0.00 0.27 0.19 0.00 -0.01 0.00 0.00 57.00 57.45 1y0c n GLN 39 Cb 0.05 -1.67 0.73 0.00 1.02 0.00 0.00 30.24 30.38 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 -1.57 -1.65 114.38 110.18 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 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 1y0c h ARG 40 CO 0.00 0.00 -0.47 1.19 0.10 0.00 0.00 179.97 180.79 1y0c n PHE 41 N -4.08 0.37 -1.97 4.08 3.01 -1.22 -4.40 117.46 113.25 1y0c n PHE 41 Ca 0.07 0.11 -0.25 0.00 1.01 0.00 0.00 57.45 58.38 1y0c n PHE 41 Cb 0.54 -0.55 0.03 0.00 -0.01 0.00 0.00 39.48 39.49 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 -1.88 2.83 0.38 1.38 3.01 -0.62 -4.79 117.46 117.78 1y0c n PHE 42 Ca 0.05 -2.34 0.11 0.00 1.01 0.00 0.00 57.45 56.27 1y0c n PHE 42 Cb 0.40 -0.45 0.47 0.00 -0.01 0.00 0.00 39.48 39.88 1y0c n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1y0c n GLU 43 N -0.72 0.16 0.00 -1.08 0.28 -1.25 -1.96 120.64 116.06 1y0c n GLU 43 Ca 0.46 0.42 0.14 0.00 -0.16 0.00 0.00 57.16 58.01 1y0c n GLU 43 Cb 0.92 -1.82 0.46 0.00 1.43 0.00 0.00 31.44 32.43 1y0c n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1y0c n SER 44 N -2.12 1.47 0.01 -1.84 3.41 -1.26 -3.87 113.62 109.41 1y0c n SER 44 Ca 0.02 -1.38 0.14 0.00 -0.26 0.00 0.00 58.87 57.39 1y0c n SER 44 Cb 0.20 0.04 0.56 0.00 -0.26 0.00 0.00 64.21 64.75 1y0c n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y0c n PHE 45 N 0.03 0.08 -1.83 7.33 0.99 -0.83 -5.04 117.46 118.20 1y0c n PHE 45 Ca 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 1y0c n PHE 45 Cb 0.37 -0.51 0.00 0.00 -1.00 0.00 0.00 39.48 38.34 1y0c n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y0c n GLY 46 N 1.48 0.36 3.63 1.37 0.00 -1.25 -4.83 105.19 105.96 1y0c n GLY 46 Ca 0.07 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 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 6.23 -0.04 1.61 3.68 -1.26 -4.82 116.67 118.07 1y0c s ASP 47 Ca 0.00 1.93 0.06 0.00 2.13 0.00 0.00 52.55 56.67 1y0c s ASP 47 Cb 0.00 -2.53 0.09 0.00 -1.45 0.00 0.00 42.92 39.03 1y0c s ASP 47 CO 0.00 -1.33 0.97 0.18 0.13 0.00 0.00 175.17 175.11 1y0c n LEU 48 N 8.82 0.96 0.00 -1.34 4.77 -1.26 -4.30 117.00 124.66 1y0c n LEU 48 Ca 0.21 -1.61 0.16 0.00 -0.03 0.00 0.00 56.01 54.75 1y0c n LEU 48 Cb 0.44 -0.13 0.62 0.00 -2.33 0.00 0.00 43.42 42.02 1y0c n LEU 48 CO 0.65 0.38 1.17 0.77 -1.33 0.00 0.00 177.39 179.04 1y0c h SER 49 N 0.00 0.12 -5.58 -1.43 4.64 -1.91 -3.43 113.55 105.96 1y0c h SER 49 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1y0c h SER 49 Cb 1.11 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 1y0c h SER 49 CO 0.00 0.07 -0.61 0.42 -0.87 0.00 0.00 176.83 175.84 1y0c s THR 50 N -5.14 0.00 0.21 2.95 -4.23 -1.26 -5.03 115.64 103.14 1y0c s THR 50 Ca -0.06 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 1y0c s THR 50 Cb 0.19 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.71 1y0c s THR 50 CO 0.73 -0.02 1.85 -0.65 -0.54 0.00 0.00 174.62 175.98 1y0c h PRO 51 N 2.63 0.84 -0.42 3.99 0.11 -1.99 -1.57 132.00 135.59 1y0c h PRO 51 Ca -0.36 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.61 1y0c h PRO 51 Cb 1.25 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1y0c h PRO 51 CO 0.53 0.56 -0.13 -0.44 -0.21 0.00 0.00 178.00 178.31 1y0c h ASP 52 N 0.87 0.76 -0.81 -2.05 3.32 -1.97 0.14 116.42 116.67 1y0c h ASP 52 Ca 0.29 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1y0c h ASP 52 Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1y0c h ASP 52 CO -0.12 0.91 0.54 0.00 -1.72 0.00 0.00 179.24 178.84 1y0c h ALA 53 N 1.16 1.45 0.14 3.45 0.00 -1.69 -0.79 119.26 122.99 1y0c h ALA 53 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1y0c h ALA 53 Cb 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1y0c h ALA 53 CO 0.04 0.49 -0.07 0.28 0.00 0.00 0.00 179.25 179.99 1y0c h VAL 54 N 1.06 0.00 -0.75 0.00 2.07 -0.88 -2.97 116.25 114.79 1y0c h VAL 54 Ca 0.31 -0.85 0.14 0.00 0.82 0.00 0.00 66.70 67.12 1y0c h VAL 54 Cb -0.07 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.65 1y0c h VAL 54 CO -0.08 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.25 1y0c h MET 55 N -1.04 0.42 0.00 1.57 2.07 -0.98 -2.66 114.93 114.32 1y0c h MET 55 Ca -0.02 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1y0c h MET 55 Cb 0.15 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.78 1y0c h MET 55 CO 0.03 0.28 -0.95 0.41 1.07 0.00 0.00 176.91 177.75 1y0c n GLY 56 N -1.52 -1.10 3.59 8.32 0.00 -0.30 -4.85 105.19 109.33 1y0c n GLY 56 Ca 0.14 -0.49 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 1y0c n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y0c n ASN 57 N -1.65 3.21 -0.30 1.61 2.85 -1.00 -4.87 115.26 115.11 1y0c n ASN 57 Ca 0.03 0.49 0.19 0.00 -0.11 0.00 0.00 54.58 55.18 1y0c n ASN 57 Cb 0.37 -1.46 0.46 0.00 1.24 0.00 0.00 39.78 40.39 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 12.80 0.48 -0.36 1.20 0.13 -1.91 -0.82 132.00 143.53 1y0c h PRO 58 Ca -0.41 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 1y0c h PRO 58 Cb 1.26 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1y0c h PRO 58 CO 0.97 0.32 -0.42 0.87 -0.23 0.00 0.00 178.00 179.51 1y0c h LYS 59 N 0.50 0.92 -0.43 0.86 1.57 -1.89 -2.51 116.57 115.58 1y0c h LYS 59 Ca 0.54 -0.50 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 1y0c h LYS 59 Cb 1.22 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.54 1y0c h LYS 59 CO -0.27 1.15 -0.22 0.28 -0.57 0.00 0.00 179.45 179.83 1y0c h VAL 60 N 0.74 1.27 -0.64 0.50 2.07 -1.49 -1.88 116.25 116.82 1y0c h VAL 60 Ca 0.05 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 1y0c h VAL 60 Cb 1.02 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1y0c h VAL 60 CO 0.10 0.46 0.08 0.11 0.02 0.00 0.00 177.57 178.33 1y0c h LYS 61 N 0.75 1.07 -0.25 1.57 1.57 -1.26 -0.86 116.57 119.16 1y0c h LYS 61 Ca 0.10 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 1y0c h LYS 61 Cb 0.75 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1y0c h LYS 61 CO 0.06 1.00 -0.33 0.00 -0.57 0.00 0.00 179.45 179.61 1y0c h ALA 62 N 1.07 0.38 -0.34 3.86 0.00 -1.43 -2.88 119.26 119.92 1y0c h ALA 62 Ca 0.19 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1y0c h ALA 62 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y0c h ALA 62 CO 0.02 0.43 -0.12 1.25 0.00 0.00 0.00 179.25 180.83 1y0c h HIS 63 N 0.40 0.78 -0.86 0.00 -0.00 -1.23 -2.73 115.15 111.51 1y0c h HIS 63 Ca 0.03 -0.18 0.10 0.00 -0.00 0.00 0.00 60.37 60.32 1y0c h HIS 63 Cb 0.92 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 28.08 1y0c h HIS 63 CO 0.08 0.87 0.56 0.78 -0.00 0.00 0.00 177.93 180.22 1y0c h GLY 64 N 0.47 1.20 1.73 5.26 0.00 -1.16 0.15 103.07 110.72 1y0c h GLY 64 Ca 0.08 -0.34 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 1y0c h GLY 64 CO 0.04 0.19 -0.66 0.07 0.00 0.00 0.00 176.54 176.18 1y0c h LYS 65 N 0.83 0.27 0.41 4.80 2.10 -1.38 -0.65 116.57 122.94 1y0c h LYS 65 Ca 0.40 -0.21 -0.02 0.00 -2.00 0.00 0.00 60.65 58.82 1y0c h LYS 65 Cb 0.43 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1y0c h LYS 65 CO -0.17 0.84 -0.19 -0.22 -2.00 0.00 0.00 179.45 177.71 1y0c h LYS 66 N 0.19 -0.52 -0.35 0.07 3.64 -0.94 0.20 116.57 118.86 1y0c h LYS 66 Ca -0.02 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1y0c h LYS 66 Cb 1.20 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 1y0c h LYS 66 CO 0.11 -0.25 0.16 0.28 -2.27 0.00 0.00 179.45 177.47 1y0c h VAL 67 N -0.73 0.96 0.00 2.00 2.07 -0.98 -1.20 116.25 118.37 1y0c h VAL 67 Ca -0.06 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1y0c h VAL 67 Cb 0.51 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1y0c h VAL 67 CO 0.09 0.06 0.00 0.25 0.02 0.00 0.00 177.57 177.99 1y0c h LEU 68 N 0.34 0.00 -0.14 2.57 7.12 -1.05 -0.82 115.31 123.33 1y0c h LEU 68 Ca 0.15 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.12 1y0c h LEU 68 Cb 0.08 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1y0c h LEU 68 CO -0.12 0.00 -0.09 1.23 -0.13 0.00 0.00 178.44 179.33 1y0c h GLY 69 N 2.72 0.33 1.27 3.75 0.00 0.45 0.28 103.07 111.87 1y0c h GLY 69 Ca 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1y0c h GLY 69 CO 0.00 0.29 0.09 0.00 0.00 0.00 0.00 176.54 176.91 1y0c h ALA 70 N 0.64 1.09 -0.29 3.60 0.00 -0.98 -2.44 119.26 120.89 1y0c h ALA 70 Ca 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1y0c h ALA 70 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y0c h ALA 70 CO 0.03 0.59 -0.02 0.35 0.00 0.00 0.00 179.25 180.20 1y0c h PHE 71 N 0.85 0.57 -0.86 0.00 3.57 -0.91 -2.65 116.94 117.52 1y0c h PHE 71 Ca 0.18 -0.11 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1y0c h PHE 71 Cb 0.38 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1y0c h PHE 71 CO 0.02 0.68 0.50 0.77 -2.23 0.00 0.00 178.31 178.05 1y0c h SER 72 N 0.30 0.74 -0.78 0.41 0.02 -0.13 -1.30 113.55 112.80 1y0c h SER 72 Ca 0.08 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1y0c h SER 72 Cb 0.46 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1y0c h SER 72 CO 0.02 0.43 0.50 0.44 -1.14 0.00 0.00 176.83 177.08 1y0c h ASP 73 N 0.85 0.84 -0.17 3.07 5.19 -1.24 -1.45 116.42 123.52 1y0c h ASP 73 Ca 0.41 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 1y0c h ASP 73 Cb 0.34 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1y0c h ASP 73 CO -0.23 0.59 0.11 1.23 -3.12 0.00 0.00 179.24 177.82 1y0c h GLY 74 N 0.99 0.24 2.00 2.75 0.00 -0.91 -1.19 103.07 106.96 1y0c h GLY 74 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1y0c h GLY 74 CO -0.10 0.09 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1y0c n LEU 75 N -4.51 0.21 -0.35 3.11 4.77 -0.55 -1.85 117.00 117.84 1y0c n LEU 75 Ca -0.00 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 1y0c n LEU 75 Cb 0.08 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1y0c n LEU 75 CO 0.35 -0.41 0.20 0.00 -1.33 0.00 0.00 177.39 176.19 1y0c n ALA 76 N -1.59 3.80 -2.51 -1.18 0.00 -0.45 -4.36 120.51 114.22 1y0c n ALA 76 Ca 0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1y0c n ALA 76 Cb 0.15 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.43 1.98 0.10 0.00 8.25 -0.77 -4.86 115.22 119.49 1y0c n HIS 77 Ca 0.07 -2.40 0.06 0.00 -0.26 0.00 0.00 57.72 55.19 1y0c n HIS 77 Cb 0.41 -0.27 0.32 0.00 1.12 0.00 0.00 29.99 31.57 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 -0.53 0.30 -0.01 2.41 7.94 -1.14 0.15 117.00 126.13 1y0c n LEU 78 Ca 0.23 0.60 -0.07 0.00 -1.11 0.00 0.00 56.01 55.66 1y0c n LEU 78 Cb 0.84 -0.62 -0.13 0.00 0.53 0.00 0.00 43.42 44.03 1y0c n LEU 78 CO 0.24 -0.70 -0.43 -0.78 -1.11 0.00 0.00 177.39 174.60 1y0c h ASP 79 N 0.00 0.00 -1.60 1.96 -0.00 -1.89 -3.38 116.42 111.51 1y0c h ASP 79 Ca 0.00 0.00 -0.48 0.00 -0.00 0.00 0.00 57.03 56.55 1y0c h ASP 79 Cb 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 39.33 39.13 1y0c h ASP 79 CO 0.00 0.95 -1.00 -3.20 -0.00 0.00 0.00 179.24 175.99 1y0c n ASN 80 N -3.05 -0.36 -0.05 2.28 5.15 0.12 -4.97 115.26 114.39 1y0c n ASN 80 Ca -0.14 -2.86 -0.13 0.00 -0.60 0.00 0.00 54.58 50.84 1y0c n ASN 80 Cb 1.01 -0.14 -0.08 0.00 -0.53 0.00 0.00 39.78 40.04 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 3.87 0.35 -0.53 1.20 3.38 -1.79 0.13 115.31 121.92 1y0c h LEU 81 Ca 0.03 -0.52 0.07 0.00 0.09 0.00 0.00 57.88 57.55 1y0c h LEU 81 Cb 0.92 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1y0c h LEU 81 CO 0.43 0.80 0.20 0.11 0.09 0.00 0.00 178.44 180.07 1y0c h LYS 82 N -0.10 0.37 0.31 1.13 1.57 -1.90 0.91 116.57 118.86 1y0c h LYS 82 Ca 0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1y0c h LYS 82 Cb 0.72 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1y0c h LYS 82 CO 0.04 0.25 -0.15 0.78 -0.57 0.00 0.00 179.45 179.80 1y0c h GLY 83 N 0.38 -0.43 0.67 3.86 0.00 -1.92 -1.88 103.07 103.75 1y0c h GLY 83 Ca 0.26 0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.81 1y0c h GLY 83 CO -0.26 -0.16 0.42 -0.84 0.00 0.00 0.00 176.54 175.71 1y0c h THR 84 N -0.46 0.98 -0.26 4.70 2.02 0.08 -3.14 112.91 116.83 1y0c h THR 84 Ca -0.04 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1y0c h THR 84 Cb 0.35 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1y0c h THR 84 CO 0.07 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.59 1y0c n PHE 85 N -4.74 0.33 0.00 3.16 3.01 0.31 -4.61 117.46 114.92 1y0c n PHE 85 Ca 0.10 -0.16 -0.10 0.00 1.01 0.00 0.00 57.45 58.30 1y0c n PHE 85 Cb 0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 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 4.20 -0.05 -0.28 4.37 0.00 -1.29 0.21 119.26 126.42 1y0c h ALA 86 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1y0c h ALA 86 Cb 0.67 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1y0c h ALA 86 CO 0.00 -0.58 -0.13 1.79 0.00 0.00 0.00 179.25 180.32 1y0c h THR 87 N -0.16 1.23 -0.29 0.00 1.35 -1.84 -1.23 112.91 111.97 1y0c h THR 87 Ca 0.08 -1.02 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 1y0c h THR 87 Cb 0.28 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1y0c h THR 87 CO -0.21 0.33 -0.17 0.25 -0.25 0.00 0.00 175.52 175.48 1y0c h LEU 88 N 0.43 0.64 -0.02 3.87 5.85 -1.81 -1.94 115.31 122.33 1y0c h LEU 88 Ca 0.08 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.39 1y0c h LEU 88 Cb 0.50 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1y0c h LEU 88 CO 0.03 0.92 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.70 1y0c h SER 89 N 0.36 -0.21 -0.75 1.25 0.87 -0.29 0.29 113.55 115.06 1y0c h SER 89 Ca 0.06 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1y0c h SER 89 Cb 0.70 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.71 1y0c h SER 89 CO 0.05 -0.10 0.50 -0.33 -0.53 0.00 0.00 176.83 176.41 1y0c h GLU 90 N -0.11 0.96 0.03 2.24 5.08 -1.14 -1.68 114.58 119.96 1y0c h GLU 90 Ca 0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1y0c h GLU 90 Cb 0.16 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1y0c h GLU 90 CO -0.09 0.64 -0.01 1.25 -1.00 0.00 0.00 179.01 179.79 1y0c h LEU 91 N 0.99 -0.03 -1.22 1.33 5.85 -0.62 0.05 115.31 121.66 1y0c h LEU 91 Ca 0.28 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1y0c h LEU 91 Cb -0.07 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1y0c h LEU 91 CO -0.07 0.18 0.54 0.45 -0.34 0.00 0.00 178.44 179.21 1y0c h HIS 92 N -0.25 0.98 0.15 1.25 3.86 -0.74 0.14 115.15 120.54 1y0c h HIS 92 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1y0c h HIS 92 Cb 0.23 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1y0c h HIS 92 CO -0.00 0.57 -0.07 0.00 0.86 0.00 0.00 177.93 179.28 1y0c h ASP 94 N -0.45 0.20 0.00 0.00 3.32 -0.99 -2.82 116.42 115.68 1y0c h ASP 94 Ca -0.02 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.56 1y0c h ASP 94 Cb 0.15 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1y0c h ASP 94 CO 0.03 0.80 -2.19 0.29 -1.72 0.00 0.00 179.24 176.46 1y0c n LYS 95 N -3.81 0.46 0.04 3.56 4.01 0.37 -4.73 118.16 118.06 1y0c n LYS 95 Ca -0.02 0.18 -0.07 0.00 -0.51 0.00 0.00 58.31 57.89 1y0c n LYS 95 Cb 0.65 -1.29 -0.12 0.00 -0.51 0.00 0.00 35.03 33.76 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 -0.61 0.00 -1.71 -0.35 3.38 -1.25 -3.49 115.31 111.28 1y0c h LEU 96 Ca -0.53 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.07 1y0c h LEU 96 Cb 1.52 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.39 1y0c h LEU 96 CO -0.28 0.97 -0.80 1.41 0.09 0.00 0.00 178.44 179.84 1y0c n HIS 97 N -3.25 -2.07 -3.22 1.13 8.25 0.21 -4.96 115.22 111.32 1y0c n HIS 97 Ca -0.05 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 57.89 1y0c n HIS 97 Cb 0.96 -4.77 -0.08 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.50 5.00 0.17 1.59 1.01 -0.27 -5.01 120.40 119.39 1y0c s VAL 98 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 61.98 62.02 1y0c s VAL 98 Cb -0.00 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 1y0c s VAL 98 CO 0.77 -0.24 1.69 -0.67 0.00 0.00 0.00 175.10 176.64 1y0c n ASP 99 N 5.79 3.64 0.31 3.32 4.64 -1.26 -4.73 116.55 128.25 1y0c n ASP 99 Ca -0.04 1.06 0.19 0.00 -1.38 0.00 0.00 54.79 54.61 1y0c n ASP 99 Cb 0.49 -1.51 1.00 0.00 -1.04 0.00 0.00 41.12 40.06 1y0c n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1y0c h PRO 100 N 6.71 0.00 -0.04 -0.67 0.11 -1.96 -2.16 132.00 134.00 1y0c h PRO 100 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1y0c h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1y0c h PRO 100 CO 0.93 0.00 0.01 1.49 -0.21 0.00 0.00 178.00 180.22 1y0c h GLU 101 N 0.00 0.05 -1.00 1.05 4.57 -1.98 -0.73 114.58 116.54 1y0c h GLU 101 Ca 0.00 -0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1y0c h GLU 101 Cb 0.19 -0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.69 1y0c h GLU 101 CO 0.00 0.05 0.63 -0.91 -1.18 0.00 0.00 179.01 177.60 1y0c h ASN 102 N 0.05 0.92 -0.08 1.04 -0.26 -1.76 0.76 115.58 116.24 1y0c h ASN 102 Ca 0.01 0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 1y0c h ASN 102 Cb 0.02 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1y0c h ASN 102 CO -0.00 0.49 -0.19 -0.26 -1.06 0.00 0.00 177.43 176.40 1y0c h PHE 103 N 0.98 0.52 -0.06 1.19 0.04 -1.31 -0.31 116.94 118.00 1y0c h PHE 103 Ca 0.50 -0.09 -0.23 0.00 2.80 0.00 0.00 57.97 60.95 1y0c h PHE 103 Cb 0.50 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1y0c h PHE 103 CO -0.00 0.64 -0.88 0.00 -0.60 0.00 0.00 178.31 177.47 1y0c h ARG 104 N 0.43 0.58 -0.23 1.51 3.08 -0.84 -2.37 114.38 116.54 1y0c h ARG 104 Ca 0.07 -0.55 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1y0c h ARG 104 Cb 0.58 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1y0c h ARG 104 CO 0.04 1.17 0.14 -0.07 -1.07 0.00 0.00 179.97 180.18 1y0c h LEU 105 N 0.36 0.27 -1.07 3.04 3.38 -0.93 -2.01 115.31 118.35 1y0c h LEU 105 Ca -0.07 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1y0c h LEU 105 Cb 1.51 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 1y0c h LEU 105 CO 0.16 0.23 0.63 0.25 0.09 0.00 0.00 178.44 179.81 1y0c h LEU 106 N 0.29 1.06 -0.56 1.67 5.85 -1.06 -1.33 115.31 121.22 1y0c h LEU 106 Ca 0.08 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1y0c h LEU 106 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 1y0c h LEU 106 CO -0.02 0.74 0.34 1.23 -0.34 0.00 0.00 178.44 180.40 1y0c h GLY 107 N 1.24 0.80 0.98 3.75 0.00 -0.83 0.12 103.07 109.12 1y0c h GLY 107 Ca 0.37 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1y0c h GLY 107 CO -0.10 0.22 0.18 3.43 0.00 0.00 0.00 176.54 180.27 1y0c h ASN 108 N 0.68 0.77 0.04 0.19 2.35 -0.82 -1.37 115.58 117.42 1y0c h ASN 108 Ca 0.22 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1y0c h ASN 108 Cb 0.01 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1y0c h ASN 108 CO -0.09 0.76 -0.02 0.58 -1.65 0.00 0.00 177.43 177.01 1y0c h VAL 109 N 0.74 0.97 -0.58 2.81 2.07 -0.98 -1.99 116.25 119.28 1y0c h VAL 109 Ca 0.17 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.79 1y0c h VAL 109 Cb 0.26 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1y0c h VAL 109 CO -0.01 0.00 0.12 0.25 0.02 0.00 0.00 177.57 177.96 1y0c h LEU 110 N -0.06 -0.00 -1.22 2.57 5.85 -0.47 0.14 115.31 122.11 1y0c h LEU 110 Ca -0.01 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1y0c h LEU 110 Cb 0.05 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1y0c h LEU 110 CO 0.01 0.01 0.54 0.58 -0.34 0.00 0.00 178.44 179.23 1y0c h VAL 111 N 0.25 1.17 -0.47 1.05 2.07 -1.00 -0.49 116.25 118.82 1y0c h VAL 111 Ca 0.30 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.34 1y0c h VAL 111 Cb 0.45 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1y0c h VAL 111 CO -0.39 0.19 -0.20 0.00 0.02 0.00 0.00 177.57 177.19 1y0c h VAL 113 N 0.82 1.19 -0.03 0.00 2.07 -0.18 0.28 116.25 120.40 1y0c h VAL 113 Ca 0.11 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 1y0c h VAL 113 Cb 0.76 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1y0c h VAL 113 CO 0.06 0.21 -0.36 -0.07 0.02 0.00 0.00 177.57 177.43 1y0c h LEU 114 N 0.72 0.06 -0.11 2.57 3.38 -1.07 -1.51 115.31 119.35 1y0c h LEU 114 Ca 0.19 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 1y0c h LEU 114 Cb 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1y0c h LEU 114 CO -0.03 0.42 -0.57 0.00 0.09 0.00 0.00 178.44 178.36 1y0c h ALA 115 N 1.58 0.21 -0.35 1.53 0.00 -0.87 -1.14 119.26 120.22 1y0c h ALA 115 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1y0c h ALA 115 Cb 0.67 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1y0c h ALA 115 CO 0.05 0.45 0.01 1.25 0.00 0.00 0.00 179.25 181.01 1y0c h HIS 116 N 0.20 0.00 -0.04 0.00 -0.00 -0.08 -1.12 115.15 114.11 1y0c h HIS 116 Ca -0.04 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1y0c h HIS 116 Cb 1.21 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1y0c h HIS 116 CO 0.11 -0.05 -0.19 0.45 -0.00 0.00 0.00 177.93 178.24 1y0c h HIS 117 N 0.11 0.28 -0.01 5.26 -0.00 -1.34 -3.36 115.15 116.10 1y0c h HIS 117 Ca 0.17 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1y0c h HIS 117 Cb 0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1y0c h HIS 117 CO -0.24 0.83 -0.42 1.19 -0.00 0.00 0.00 177.93 179.29 1y0c n PHE 118 N -4.56 0.00 -0.62 2.45 3.01 -0.43 -5.02 117.46 112.29 1y0c n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y0c n PHE 118 Cb 0.43 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 1.41 2.80 0.34 1.37 0.00 -0.43 -1.43 105.19 109.25 1y0c n GLY 119 Ca 0.09 -0.11 0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 1.61 -0.00 -1.95 -1.33 116.57 114.89 1y0c h LYS 120 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.62 1y0c h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1y0c h LYS 120 CO 0.00 0.00 -0.14 1.49 -0.00 0.00 0.00 179.45 180.80 1y0c h GLU 121 N 0.00 0.00 -4.27 0.07 4.81 -1.64 -3.26 114.58 110.29 1y0c h GLU 121 Ca 0.01 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.49 1y0c h GLU 121 Cb 0.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.41 1y0c h GLU 121 CO -0.00 0.14 1.77 0.34 -0.73 0.00 0.00 179.01 180.53 1y0c n PHE 122 N -3.54 4.04 -1.61 0.92 7.35 -0.50 -4.93 117.46 119.20 1y0c n PHE 122 Ca -0.01 -3.07 -0.32 0.00 -0.76 0.00 0.00 57.45 53.28 1y0c n PHE 122 Cb 0.28 -2.13 0.06 0.00 0.35 0.00 0.00 39.48 38.04 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 1.31 3.23 0.23 -2.13 -4.23 -1.23 -4.75 115.64 108.07 1y0c s THR 123 Ca 0.42 0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 1y0c s THR 123 Cb 0.04 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 71.15 1y0c s THR 123 CO 0.00 -0.40 1.60 -0.65 -0.54 0.00 0.00 174.62 174.63 1y0c h PRO 124 N -0.30 -0.02 0.00 3.99 0.11 -1.94 0.58 132.00 134.42 1y0c h PRO 124 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1y0c h PRO 124 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1y0c h PRO 124 CO 0.53 -0.01 -0.21 -1.00 -0.21 0.00 0.00 178.00 177.10 1y0c h PRO 125 N -0.02 0.00 -0.03 1.05 0.13 -2.00 -2.22 132.00 128.91 1y0c h PRO 125 Ca 0.36 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.28 1y0c h PRO 125 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1y0c h PRO 125 CO -0.80 0.21 -0.85 0.28 -0.23 0.00 0.00 178.00 176.61 1y0c h VAL 126 N 0.00 1.41 -0.63 1.56 2.07 -0.34 -3.08 116.25 117.24 1y0c h VAL 126 Ca -0.00 -2.35 -0.08 0.00 0.82 0.00 0.00 66.70 65.09 1y0c h VAL 126 Cb 0.77 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1y0c h VAL 126 CO 0.03 0.70 0.09 -0.61 0.02 0.00 0.00 177.57 177.80 1y0c h GLN 127 N 0.23 1.03 -0.83 1.57 4.15 -0.38 -2.45 115.11 118.44 1y0c h GLN 127 Ca -0.05 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1y0c h GLN 127 Cb 1.46 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.98 1y0c h GLN 127 CO 0.14 0.96 0.51 0.00 -1.93 0.00 0.00 178.83 178.52 1y0c h ALA 128 N 1.12 1.35 -0.18 3.38 0.00 -1.36 0.81 119.26 124.39 1y0c h ALA 128 Ca 0.19 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1y0c h ALA 128 Cb 0.43 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y0c h ALA 128 CO 0.01 0.57 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 1y0c h ALA 129 N 1.43 0.25 -0.73 0.00 0.00 -1.44 -2.90 119.26 115.88 1y0c h ALA 129 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1y0c h ALA 129 Cb -0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1y0c h ALA 129 CO -0.06 0.10 0.29 1.88 0.00 0.00 0.00 179.25 181.46 1y0c h TYR 130 N 0.06 1.10 -0.77 0.00 0.05 -1.02 -1.75 116.97 114.65 1y0c h TYR 130 Ca 0.04 -0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.77 1y0c h TYR 130 Cb 0.61 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 1y0c h TYR 130 CO 0.07 0.84 0.49 1.96 -1.05 0.00 0.00 178.16 180.47 1y0c h GLN 131 N 1.06 0.92 -0.77 4.88 1.08 -0.82 0.31 115.11 121.78 1y0c h GLN 131 Ca 0.25 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1y0c h GLN 131 Cb 0.21 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1y0c h GLN 131 CO -0.02 0.61 0.33 0.87 -0.95 0.00 0.00 178.83 179.67 1y0c h LYS 132 N 0.95 1.12 0.12 1.46 1.57 -1.27 -1.73 116.57 118.80 1y0c h LYS 132 Ca 0.31 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1y0c h LYS 132 Cb 0.02 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1y0c h LYS 132 CO -0.11 0.89 -0.06 0.28 -0.57 0.00 0.00 179.45 179.88 1y0c h VAL 133 N 1.10 1.04 -0.23 0.50 2.07 -0.32 -1.27 116.25 119.14 1y0c h VAL 133 Ca 0.26 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1y0c h VAL 133 Cb 0.17 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1y0c h VAL 133 CO -0.03 0.17 -0.10 -0.37 0.02 0.00 0.00 177.57 177.27 1y0c h VAL 134 N -0.51 1.20 -0.43 2.57 -1.51 -0.38 -1.78 116.25 115.40 1y0c h VAL 134 Ca -0.02 -0.85 -0.09 0.00 -1.23 0.00 0.00 66.70 64.52 1y0c h VAL 134 Cb 0.41 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 1y0c h VAL 134 CO 0.03 0.27 -0.07 0.00 -1.23 0.00 0.00 177.57 176.57 1y0c h ALA 135 N 1.55 0.59 -0.66 5.19 0.00 -1.27 -1.77 119.26 122.89 1y0c h ALA 135 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y0c h ALA 135 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1y0c h ALA 135 CO 0.02 0.45 0.42 0.78 0.00 0.00 0.00 179.25 180.92 1y0c h GLY 136 N 0.64 0.94 0.86 0.00 0.00 -0.68 -0.72 103.07 104.11 1y0c h GLY 136 Ca 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1y0c h GLY 136 CO 0.04 0.36 0.05 -2.08 0.00 0.00 0.00 176.54 174.90 1y0c h VAL 137 N 0.90 1.18 -0.80 4.60 2.07 -1.24 0.29 116.25 123.25 1y0c h VAL 137 Ca 0.24 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1y0c h VAL 137 Cb -0.08 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1y0c h VAL 137 CO -0.05 0.17 0.49 0.00 0.02 0.00 0.00 177.57 178.20 1y0c h ALA 138 N 0.87 1.09 -0.13 1.67 0.00 -1.04 0.48 119.26 122.19 1y0c h ALA 138 Ca 0.05 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y0c h ALA 138 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1y0c h ALA 138 CO -0.00 0.22 0.02 -0.91 0.00 0.00 0.00 179.25 178.58 1y0c h ASN 139 N 0.90 0.21 -0.82 0.00 -0.26 -0.90 -1.70 115.58 113.00 1y0c h ASN 139 Ca 0.35 -0.25 0.07 0.00 -0.56 0.00 0.00 56.30 55.90 1y0c h ASN 139 Cb 0.16 -0.06 -0.06 0.00 -1.06 0.00 0.00 38.32 37.30 1y0c h ASN 139 CO -0.17 0.41 0.50 0.00 -1.06 0.00 0.00 177.43 177.11 1y0c h ALA 140 N 0.81 1.13 0.00 -0.83 0.00 0.33 -0.12 119.26 120.58 1y0c h ALA 140 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y0c h ALA 140 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1y0c h ALA 140 CO 0.00 0.22 0.00 -0.07 0.00 0.00 0.00 179.25 179.40 1y0c h LEU 141 N 0.90 0.00 0.00 0.00 3.38 0.28 -3.10 115.31 116.76 1y0c h LEU 141 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1y0c h LEU 141 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y0c h LEU 141 CO -0.18 0.00 -1.23 0.00 0.09 0.00 0.00 178.44 177.12 1y0c n ALA 142 N -2.01 4.07 -0.33 1.53 0.00 -0.60 -4.47 120.51 118.71 1y0c n ALA 142 Ca 0.02 -0.55 0.17 0.00 0.00 0.00 0.00 53.44 53.08 1y0c n ALA 142 Cb 0.35 -0.80 0.40 0.00 0.00 0.00 0.00 19.45 19.39 1y0c n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y0c h HIS 143 N 0.00 0.91 -0.44 0.00 2.07 -0.98 -1.64 115.15 115.07 1y0c h HIS 143 Ca 0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1y0c h HIS 143 Cb 0.65 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1y0c h HIS 143 CO 0.00 0.14 0.00 1.63 -3.07 0.00 0.00 177.93 176.63 1y0c n LYS 144 N -4.74 2.34 -2.76 5.12 4.76 -1.26 -4.93 118.16 116.69 1y0c n LYS 144 Ca 0.24 -1.70 -0.33 0.00 -2.87 0.00 0.00 58.31 53.65 1y0c n LYS 144 Cb 0.70 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.34 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 -1.54 3.27 0.00 2.13 2.02 -0.62 -4.72 117.35 117.88 1y0c s TYR 145 Ca 0.31 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.61 1y0c s TYR 145 Cb 0.18 -2.88 0.00 0.00 -0.40 0.00 0.00 41.96 38.86 1y0c s TYR 145 CO 0.18 -0.23 0.00 -2.39 -1.57 0.00 0.00 175.55 171.54