#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0c s LEU 2 N 0.00 4.28 0.63 3.17 1.43 -1.26 -5.07 118.68 121.87 1y0c s LEU 2 Ca 0.00 1.28 -0.06 0.00 -1.03 0.00 0.00 54.13 54.32 1y0c s LEU 2 Cb 0.00 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.02 1y0c s LEU 2 CO 0.00 -0.23 0.94 -0.94 0.23 0.00 0.00 176.35 176.35 1y0c s SER 3 N 0.95 5.32 0.23 2.29 1.04 -1.26 -4.87 113.70 117.41 1y0c s SER 3 Ca 0.41 0.62 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 1y0c s SER 3 Cb -0.18 -1.49 0.38 0.00 0.10 0.00 0.00 66.02 64.83 1y0c s SER 3 CO 0.18 -1.25 1.71 -0.65 0.98 0.00 0.00 173.24 174.21 1y0c h PRO 4 N -0.32 0.30 -0.02 4.02 0.11 -1.99 -0.42 132.00 133.68 1y0c h PRO 4 Ca -0.45 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1y0c h PRO 4 Cb 1.28 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1y0c h PRO 4 CO 0.60 0.20 -0.21 0.00 -0.21 0.00 0.00 178.00 178.38 1y0c h ALA 5 N 1.53 -0.25 -0.48 -0.75 0.00 -1.99 -0.14 119.26 117.17 1y0c h ALA 5 Ca 0.37 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1y0c h ALA 5 Cb 0.58 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1y0c h ALA 5 CO -0.43 -0.70 0.01 -0.44 0.00 0.00 0.00 179.25 177.68 1y0c h ASP 6 N -0.32 -0.19 -0.77 0.00 3.32 -1.64 0.33 116.42 117.14 1y0c h ASP 6 Ca 0.07 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1y0c h ASP 6 Cb 0.41 0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1y0c h ASP 6 CO -0.21 -0.06 0.46 0.11 -1.72 0.00 0.00 179.24 177.82 1y0c h LYS 7 N 0.12 1.05 -0.44 3.56 1.57 -0.58 0.27 116.57 122.12 1y0c h LYS 7 Ca 0.24 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1y0c h LYS 7 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1y0c h LYS 7 CO -0.40 0.75 -0.12 1.15 -0.57 0.00 0.00 179.45 180.26 1y0c h THR 8 N 1.06 1.27 -0.24 -0.16 2.02 -0.38 -1.50 112.91 114.98 1y0c h THR 8 Ca 0.28 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1y0c h THR 8 Cb -0.03 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1y0c h THR 8 CO -0.05 0.42 0.15 0.78 0.37 0.00 0.00 175.52 177.19 1y0c h ASN 9 N 0.68 0.29 -0.46 4.18 -0.26 0.11 -0.65 115.58 119.47 1y0c h ASN 9 Ca 0.11 -0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.77 1y0c h ASN 9 Cb 0.66 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 1y0c h ASN 9 CO 0.05 0.23 0.10 0.58 -1.06 0.00 0.00 177.43 177.33 1y0c h VAL 10 N 0.32 1.24 -0.50 2.81 2.07 -0.42 -1.30 116.25 120.47 1y0c h VAL 10 Ca 0.09 -0.84 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1y0c h VAL 10 Cb -0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1y0c h VAL 10 CO -0.02 0.30 -0.09 0.11 0.02 0.00 0.00 177.57 177.89 1y0c h LYS 11 N 0.62 0.90 0.62 1.57 1.57 -1.24 -0.52 116.57 120.09 1y0c h LYS 11 Ca 0.14 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1y0c h LYS 11 Cb 0.34 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1y0c h LYS 11 CO 0.00 0.95 -0.30 0.00 -0.57 0.00 0.00 179.45 179.54 1y0c h ALA 12 N 1.08 -0.84 -0.29 3.86 0.00 -1.00 0.79 119.26 122.86 1y0c h ALA 12 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1y0c h ALA 12 Cb 0.61 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1y0c h ALA 12 CO 0.04 -0.87 0.14 0.00 0.00 0.00 0.00 179.25 178.56 1y0c h ALA 13 N -0.79 0.38 -0.34 0.00 0.00 -1.27 -2.53 119.26 114.70 1y0c h ALA 13 Ca -0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1y0c h ALA 13 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1y0c h ALA 13 CO 0.14 -0.06 0.03 2.35 0.00 0.00 0.00 179.25 181.71 1y0c h TRP 14 N 0.34 0.53 -0.67 0.00 2.91 -1.16 -2.16 115.95 115.74 1y0c h TRP 14 Ca 0.10 -0.05 0.11 0.00 1.13 0.00 0.00 58.89 60.18 1y0c h TRP 14 Cb 0.12 -0.16 -0.08 0.00 -0.51 0.00 0.00 29.16 28.53 1y0c h TRP 14 CO -0.02 0.51 0.27 0.78 -1.03 0.00 0.00 178.44 178.95 1y0c h GLY 15 N 0.80 0.97 1.35 2.65 0.00 -0.42 -0.37 103.07 108.06 1y0c h GLY 15 Ca 0.11 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1y0c h GLY 15 CO 0.01 -0.03 -0.13 0.50 0.00 0.00 0.00 176.54 176.88 1y0c h LYS 16 N 0.45 0.76 -0.58 4.80 1.79 -1.10 -2.87 116.57 119.82 1y0c h LYS 16 Ca 0.34 -0.26 0.10 0.00 -2.18 0.00 0.00 60.65 58.65 1y0c h LYS 16 Cb 0.45 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.96 1y0c h LYS 16 CO -0.33 0.86 0.15 0.28 -1.08 0.00 0.00 179.45 179.33 1y0c h VAL 17 N 0.69 0.69 0.00 0.50 2.07 -0.57 -3.44 116.25 116.18 1y0c h VAL 17 Ca 0.11 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y0c h VAL 17 Cb 0.62 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1y0c h VAL 17 CO 0.04 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1y0c n GLY 18 N -1.30 3.07 0.00 2.17 0.00 -0.94 -1.62 105.19 106.57 1y0c n GLY 18 Ca 0.08 0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1y0c n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0c n ALA 19 N 9.82 2.18 0.81 4.61 0.00 -1.26 -2.91 120.51 133.77 1y0c n ALA 19 Ca 0.00 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1y0c n ALA 19 Cb 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.04 1y0c n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0c n HIS 20 N -0.97 0.00 -0.32 0.00 -0.00 -0.64 -4.55 115.22 108.74 1y0c n HIS 20 Ca 0.13 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 58.02 1y0c n HIS 20 Cb 0.06 -0.09 0.34 0.00 -0.00 0.00 0.00 29.99 30.30 1y0c n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y0c h ALA 21 N 2.81 1.37 0.35 -1.41 0.00 -1.62 0.11 119.26 120.87 1y0c h ALA 21 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y0c h ALA 21 Cb 0.59 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1y0c h ALA 21 CO 0.00 -0.61 -0.31 0.78 0.00 0.00 0.00 179.25 179.11 1y0c h GLY 22 N 0.07 -0.74 1.36 0.00 0.00 -1.85 0.10 103.07 102.01 1y0c h GLY 22 Ca 0.63 0.36 -0.06 0.00 0.00 0.00 0.00 47.33 48.26 1y0c h GLY 22 CO -0.81 -0.28 0.09 1.05 0.00 0.00 0.00 176.54 176.59 1y0c h GLU 23 N -0.68 0.80 -0.13 4.80 4.11 -1.44 -1.93 114.58 120.11 1y0c h GLU 23 Ca -0.02 -0.17 -0.14 0.00 0.07 0.00 0.00 59.36 59.10 1y0c h GLU 23 Cb 0.61 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1y0c h GLU 23 CO -0.04 0.74 -0.51 1.88 0.07 0.00 0.00 179.01 181.15 1y0c h TYR 24 N 0.76 0.43 -0.14 2.06 0.99 -0.55 -1.61 116.97 118.91 1y0c h TYR 24 Ca 0.16 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1y0c h TYR 24 Cb 0.33 -0.08 -0.01 0.00 1.00 0.00 0.00 36.73 37.97 1y0c h TYR 24 CO 0.02 0.79 0.02 0.78 -0.00 0.00 0.00 178.16 179.76 1y0c h GLY 25 N 1.26 0.26 0.94 3.88 0.00 -0.50 -1.23 103.07 107.68 1y0c h GLY 25 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1y0c h GLY 25 CO 0.08 0.17 0.39 0.00 0.00 0.00 0.00 176.54 177.19 1y0c h ALA 26 N 0.79 0.79 -0.55 3.60 0.00 -1.21 -2.37 119.26 120.31 1y0c h ALA 26 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1y0c h ALA 26 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1y0c h ALA 26 CO 0.00 0.17 0.31 1.49 0.00 0.00 0.00 179.25 181.22 1y0c h GLU 27 N 0.79 0.76 -0.60 0.00 4.81 -1.18 -1.75 114.58 117.41 1y0c h GLU 27 Ca 0.24 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1y0c h GLU 27 Cb -0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1y0c h GLU 27 CO -0.08 0.57 0.36 0.00 -0.73 0.00 0.00 179.01 179.13 1y0c h ALA 28 N 1.15 1.50 -0.03 2.92 0.00 -0.98 -0.35 119.26 123.47 1y0c h ALA 28 Ca 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y0c h ALA 28 Cb 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1y0c h ALA 28 CO -0.03 0.43 -0.00 -0.07 0.00 0.00 0.00 179.25 179.58 1y0c h LEU 29 N 0.83 0.05 -0.36 0.00 3.38 -0.86 -1.63 115.31 116.71 1y0c h LEU 29 Ca 0.22 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1y0c h LEU 29 Cb -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1y0c h LEU 29 CO -0.04 0.36 0.21 -0.08 0.09 0.00 0.00 178.44 178.97 1y0c h GLU 30 N -0.26 0.41 -0.91 1.13 4.81 -1.08 0.13 114.58 118.81 1y0c h GLU 30 Ca 0.01 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1y0c h GLU 30 Cb 0.33 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.55 1y0c h GLU 30 CO 0.00 0.27 0.56 0.00 -0.73 0.00 0.00 179.01 179.12 1y0c h ARG 31 N 0.42 0.98 -0.40 1.92 3.08 -1.03 -1.10 114.38 118.25 1y0c h ARG 31 Ca 0.14 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1y0c h ARG 31 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1y0c h ARG 31 CO -0.07 0.65 0.17 1.98 -1.07 0.00 0.00 179.97 181.62 1y0c h MET 32 N 1.01 0.59 -0.51 0.04 4.05 -0.21 -1.41 114.93 118.49 1y0c h MET 32 Ca 0.40 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.70 1y0c h MET 32 Cb 0.22 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1y0c h MET 32 CO -0.19 0.55 0.22 0.74 0.23 0.00 0.00 176.91 178.46 1y0c h PHE 33 N 0.50 0.77 -0.17 1.39 0.04 -0.34 -0.41 116.94 118.72 1y0c h PHE 33 Ca 0.13 -0.05 -0.22 0.00 2.80 0.00 0.00 57.97 60.63 1y0c h PHE 33 Cb 0.17 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.10 1y0c h PHE 33 CO -0.00 0.62 -0.75 -0.07 -0.60 0.00 0.00 178.31 177.51 1y0c h LEU 34 N 0.69 0.96 0.06 1.54 3.38 -1.07 -3.19 115.31 117.67 1y0c h LEU 34 Ca 0.17 -0.62 -0.27 0.00 0.09 0.00 0.00 57.88 57.25 1y0c h LEU 34 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1y0c h LEU 34 CO -0.02 1.42 -1.40 0.28 0.09 0.00 0.00 178.44 178.81 1y0c h SER 35 N 0.57 0.19 -2.52 -0.43 0.02 -1.28 -3.41 113.55 106.68 1y0c h SER 35 Ca -0.04 -0.26 -0.60 0.00 -0.84 0.00 0.00 61.79 60.05 1y0c h SER 35 Cb 1.38 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.46 1y0c h SER 35 CO 0.16 1.22 -0.85 0.49 -1.14 0.00 0.00 176.83 176.71 1y0c n PHE 36 N -3.34 0.69 0.33 3.45 3.01 -0.16 -4.99 117.46 116.44 1y0c n PHE 36 Ca -0.11 -3.69 0.21 0.00 1.01 0.00 0.00 57.45 54.87 1y0c n PHE 36 Cb 1.01 -0.13 1.12 0.00 -0.01 0.00 0.00 39.48 41.48 1y0c n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y0c h PRO 37 N 5.27 0.00 0.00 -1.08 0.11 -1.71 -1.87 132.00 132.72 1y0c h PRO 37 Ca 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1y0c h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1y0c h PRO 37 CO 0.52 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.09 1y0c h THR 38 N 0.00 0.03 0.00 -1.15 1.35 -1.91 -2.53 112.91 108.70 1y0c h THR 38 Ca -0.00 -0.41 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1y0c h THR 38 Cb 0.08 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1y0c h THR 38 CO 0.00 0.01 -0.04 0.71 -0.25 0.00 0.00 175.52 175.95 1y0c h THR 39 N 0.00 0.16 0.00 6.82 1.35 -1.66 -2.67 112.91 116.91 1y0c h THR 39 Ca -0.00 -0.43 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 1y0c h THR 39 Cb 0.40 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1y0c h THR 39 CO 0.00 0.04 -0.16 0.11 -0.25 0.00 0.00 175.52 175.26 1y0c h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.66 -3.02 116.57 118.18 1y0c h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0c h LYS 40 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1y0c h LYS 40 CO 0.01 0.16 0.03 1.79 -0.57 0.00 0.00 179.45 180.87 1y0c h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.66 0.18 112.91 112.62 1y0c h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y0c h THR 41 Cb 0.56 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1y0c h THR 41 CO 0.02 0.00 -0.41 -1.22 -0.25 0.00 0.00 175.52 173.66 1y0c n TYR 42 N -2.74 0.00 -2.52 4.73 4.01 -1.14 -4.30 117.16 115.20 1y0c n TYR 42 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 1y0c n TYR 42 Cb 0.09 -0.23 0.01 0.00 -0.31 0.00 0.00 39.34 38.90 1y0c n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0c n PHE 43 N -1.31 2.61 0.28 -0.72 3.01 0.63 -4.83 117.46 117.13 1y0c n PHE 43 Ca 0.07 -2.94 0.16 0.00 1.01 0.00 0.00 57.45 55.75 1y0c n PHE 43 Cb 0.34 -0.19 0.82 0.00 -0.01 0.00 0.00 39.48 40.44 1y0c n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0c h PRO 44 N 2.69 0.00 -0.13 -1.08 0.13 -1.75 -2.17 132.00 129.70 1y0c h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1y0c h PRO 44 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1y0c h PRO 44 CO 0.72 0.07 0.00 -2.39 -0.23 0.00 0.00 178.00 176.16 1y0c n HIS 45 N -3.38 0.16 -4.01 1.56 1.44 -1.26 -4.91 115.22 104.81 1y0c n HIS 45 Ca -0.01 -0.08 -0.31 0.00 -2.01 0.00 0.00 57.72 55.31 1y0c n HIS 45 Cb 0.22 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.27 1y0c n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0c s PHE 46 N -1.84 3.31 -0.46 -1.40 0.40 -0.82 -5.06 117.98 112.11 1y0c s PHE 46 Ca 0.34 0.15 -0.25 0.00 -0.60 0.00 0.00 56.93 56.57 1y0c s PHE 46 Cb 0.19 -1.68 0.03 0.00 0.51 0.00 0.00 43.02 42.07 1y0c s PHE 46 CO 0.28 0.55 0.88 0.34 0.70 0.00 0.00 175.22 177.97 1y0c s ASP 47 N -2.37 6.47 -0.17 1.36 2.15 -1.26 -4.87 116.67 117.98 1y0c s ASP 47 Ca 0.31 0.05 0.13 0.00 0.43 0.00 0.00 52.55 53.47 1y0c s ASP 47 Cb -0.12 -2.43 0.68 0.00 -0.30 0.00 0.00 42.92 40.75 1y0c s ASP 47 CO 0.23 -1.00 1.56 0.18 -0.17 0.00 0.00 175.17 175.96 1y0c n LEU 48 N 7.02 4.79 -4.75 -1.34 4.77 -1.26 -4.47 117.00 121.75 1y0c n LEU 48 Ca 0.05 -2.43 -0.32 0.00 -0.03 0.00 0.00 56.01 53.29 1y0c n LEU 48 Cb 0.48 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1y0c n LEU 48 CO 0.62 0.62 0.72 -0.94 -1.33 0.00 0.00 177.39 177.08 1y0c s SER 49 N -0.72 4.37 -0.02 -1.43 1.04 -1.26 -4.88 113.70 110.79 1y0c s SER 49 Ca 0.46 1.98 -0.31 0.00 0.48 0.00 0.00 55.95 58.56 1y0c s SER 49 Cb 0.33 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.82 1y0c s SER 49 CO 0.16 -2.13 1.98 1.57 0.98 0.00 0.00 173.24 175.81 1y0c n HIS 50 N -3.28 2.41 -2.14 5.02 -0.00 -1.26 -1.28 115.22 114.69 1y0c n HIS 50 Ca 0.10 -0.26 -0.02 0.00 0.46 0.00 0.00 57.72 58.01 1y0c n HIS 50 Cb 0.52 -2.76 0.00 0.00 -0.12 0.00 0.00 29.99 27.63 1y0c n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y0c n GLY 51 N 4.67 0.40 3.74 1.57 0.00 -1.26 -5.00 105.19 109.31 1y0c n GLY 51 Ca 0.22 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1y0c n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y0c s SER 52 N -2.94 6.93 0.39 1.61 0.15 -0.40 -4.88 113.70 114.56 1y0c s SER 52 Ca 0.01 2.40 0.14 0.00 0.70 0.00 0.00 55.95 59.20 1y0c s SER 52 Cb -0.00 -2.61 0.79 0.00 -1.71 0.00 0.00 66.02 62.48 1y0c s SER 52 CO 0.01 -0.49 1.85 0.00 1.20 0.00 0.00 173.24 175.82 1y0c h ALA 53 N 5.06 1.38 -0.34 5.45 0.00 -1.90 -1.34 119.26 127.57 1y0c h ALA 53 Ca -0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 1y0c h ALA 53 Cb 1.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1y0c h ALA 53 CO 0.75 0.43 0.14 1.96 0.00 0.00 0.00 179.25 182.53 1y0c h GLN 54 N 0.00 0.51 -0.51 0.00 4.20 -1.90 0.20 115.11 117.62 1y0c h GLN 54 Ca -0.00 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 1y0c h GLN 54 Cb 0.62 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1y0c h GLN 54 CO 0.04 0.50 0.07 0.28 -0.67 0.00 0.00 178.83 179.05 1y0c h VAL 55 N 0.41 1.25 -0.26 -0.54 2.07 -1.71 0.72 116.25 118.20 1y0c h VAL 55 Ca 0.12 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.71 1y0c h VAL 55 Cb 0.17 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1y0c h VAL 55 CO -0.01 0.34 0.03 0.11 0.02 0.00 0.00 177.57 178.06 1y0c h LYS 56 N 0.72 0.11 -0.37 1.57 1.79 -0.89 0.62 116.57 120.13 1y0c h LYS 56 Ca 0.15 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.50 1y0c h LYS 56 Cb 0.42 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1y0c h LYS 56 CO 0.01 0.07 -0.22 0.78 -1.08 0.00 0.00 179.45 179.01 1y0c h GLY 57 N 0.11 0.78 1.18 3.86 0.00 -0.50 -2.50 103.07 106.01 1y0c h GLY 57 Ca 0.12 -0.66 -0.18 0.00 0.00 0.00 0.00 47.33 46.62 1y0c h GLY 57 CO -0.18 0.60 -0.49 0.84 0.00 0.00 0.00 176.54 177.31 1y0c h HIS 58 N 0.63 1.07 -0.66 5.60 -0.00 -0.13 -2.71 115.15 118.95 1y0c h HIS 58 Ca 0.09 -0.36 0.05 0.00 -0.00 0.00 0.00 60.37 60.15 1y0c h HIS 58 Cb 0.71 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.86 1y0c h HIS 58 CO 0.03 1.18 0.38 0.78 -0.00 0.00 0.00 177.93 180.31 1y0c h GLY 59 N 0.75 0.97 0.97 5.26 0.00 0.41 -1.77 103.07 109.66 1y0c h GLY 59 Ca 0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1y0c h GLY 59 CO 0.11 0.18 0.17 1.70 0.00 0.00 0.00 176.54 178.70 1y0c h LYS 60 N 0.71 0.38 -0.39 4.80 3.64 -1.38 -0.85 116.57 123.48 1y0c h LYS 60 Ca 0.29 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.70 1y0c h LYS 60 Cb 0.15 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1y0c h LYS 60 CO -0.16 0.31 0.04 0.87 -2.27 0.00 0.00 179.45 178.23 1y0c h LYS 61 N 0.35 0.14 -0.35 1.90 1.57 -1.05 0.57 116.57 119.71 1y0c h LYS 61 Ca 0.10 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1y0c h LYS 61 Cb 0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1y0c h LYS 61 CO -0.02 0.09 0.16 0.28 -0.57 0.00 0.00 179.45 179.40 1y0c h VAL 62 N 0.15 1.17 0.23 0.50 2.07 -1.21 -1.80 116.25 117.36 1y0c h VAL 62 Ca 0.19 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1y0c h VAL 62 Cb 0.25 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1y0c h VAL 62 CO -0.29 0.18 -0.11 0.00 0.02 0.00 0.00 177.57 177.38 1y0c h ALA 63 N 1.01 -0.31 -0.93 1.67 0.00 -0.46 -0.89 119.26 119.35 1y0c h ALA 63 Ca 0.12 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.12 1y0c h ALA 63 Cb 0.14 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1y0c h ALA 63 CO -0.01 -0.67 0.60 -0.44 0.00 0.00 0.00 179.25 178.72 1y0c h ASP 64 N -0.31 0.67 -0.31 0.00 3.32 0.19 0.18 116.42 120.17 1y0c h ASP 64 Ca -0.03 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1y0c h ASP 64 Cb 0.24 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1y0c h ASP 64 CO 0.05 0.31 -0.24 0.00 -1.72 0.00 0.00 179.24 177.64 1y0c h ALA 65 N 1.60 0.84 -0.33 3.45 0.00 -0.48 -1.19 119.26 123.15 1y0c h ALA 65 Ca 0.49 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1y0c h ALA 65 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1y0c h ALA 65 CO -0.25 0.64 -0.17 -0.07 0.00 0.00 0.00 179.25 179.40 1y0c h LEU 66 N 0.69 0.73 -0.85 0.00 3.38 0.39 -1.37 115.31 118.27 1y0c h LEU 66 Ca 0.09 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.70 1y0c h LEU 66 Cb 0.77 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 1y0c h LEU 66 CO 0.06 0.98 0.54 0.74 0.09 0.00 0.00 178.44 180.85 1y0c h THR 67 N 0.47 1.08 -0.47 0.22 2.02 -0.64 -0.29 112.91 115.30 1y0c h THR 67 Ca 0.07 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 1y0c h THR 67 Cb 0.71 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1y0c h THR 67 CO 0.05 0.18 0.07 -1.13 0.37 0.00 0.00 175.52 175.06 1y0c h ASN 68 N 1.01 0.69 -0.05 4.18 -1.24 -1.03 -1.73 115.58 117.41 1y0c h ASN 68 Ca 0.36 -0.13 -0.16 0.00 0.71 0.00 0.00 56.30 57.08 1y0c h ASN 68 Cb 0.09 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1y0c h ASN 68 CO -0.15 0.72 -0.50 0.00 -1.29 0.00 0.00 177.43 176.21 1y0c h ALA 69 N 1.37 0.71 -0.37 1.57 0.00 -0.08 -2.58 119.26 119.89 1y0c h ALA 69 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1y0c h ALA 69 Cb 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1y0c h ALA 69 CO 0.01 0.68 0.15 0.28 0.00 0.00 0.00 179.25 180.36 1y0c h VAL 70 N 0.48 1.19 -0.32 0.00 2.07 -0.73 -0.47 116.25 118.47 1y0c h VAL 70 Ca 0.02 -0.57 0.09 0.00 0.82 0.00 0.00 66.70 67.06 1y0c h VAL 70 Cb 1.04 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1y0c h VAL 70 CO 0.10 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.13 1y0c h ALA 71 N 0.99 2.25 -0.35 1.67 0.00 -1.27 -2.16 119.26 120.40 1y0c h ALA 71 Ca 0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1y0c h ALA 71 Cb 0.18 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.78 1y0c h ALA 71 CO -0.01 -0.40 -0.68 0.72 0.00 0.00 0.00 179.25 178.88 1y0c n HIS 72 N -4.36 1.27 0.13 0.00 8.25 -0.95 -4.82 115.22 114.75 1y0c n HIS 72 Ca 0.05 -1.81 0.18 0.00 -0.26 0.00 0.00 57.72 55.88 1y0c n HIS 72 Cb 0.41 -0.29 0.62 0.00 1.12 0.00 0.00 29.99 31.85 1y0c n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0c h VAL 73 N 1.90 0.15 -0.40 1.59 3.04 -0.40 0.87 116.25 122.99 1y0c h VAL 73 Ca 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 1y0c h VAL 73 Cb 1.28 0.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1y0c h VAL 73 CO 0.35 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.38 1y0c n ASP 74 N -3.23 2.87 -2.70 3.17 8.00 -1.26 -4.44 116.55 118.95 1y0c n ASP 74 Ca 0.07 -1.93 -0.04 0.00 0.71 0.00 0.00 54.79 53.59 1y0c n ASP 74 Cb 0.77 -0.26 0.11 0.00 -0.02 0.00 0.00 41.12 41.72 1y0c n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y0c n ASP 75 N 1.09 -1.05 -0.21 -2.24 2.03 0.30 -4.99 116.55 111.47 1y0c n ASP 75 Ca 0.18 -2.34 -0.04 0.00 0.52 0.00 0.00 54.79 53.11 1y0c n ASP 75 Cb 0.49 0.58 0.06 0.00 -0.72 0.00 0.00 41.12 41.53 1y0c n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0c h MET 76 N 1.74 0.71 -0.99 -0.67 2.86 -1.67 0.25 114.93 117.16 1y0c h MET 76 Ca -0.32 -0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.40 1y0c h MET 76 Cb 1.29 -0.16 -0.09 0.00 0.06 0.00 0.00 31.60 32.70 1y0c h MET 76 CO -0.04 0.47 0.62 -1.35 1.06 0.00 0.00 176.91 177.67 1y0c h PRO 77 N 0.73 0.93 0.10 -0.22 0.11 -1.94 0.45 132.00 132.17 1y0c h PRO 77 Ca 0.25 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.12 1y0c h PRO 77 Cb 0.03 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 30.93 1y0c h PRO 77 CO -0.10 0.62 -0.85 -0.91 -0.21 0.00 0.00 178.00 176.54 1y0c h ASN 78 N 0.96 0.34 -0.04 -2.05 2.35 -1.86 -2.16 115.58 113.13 1y0c h ASN 78 Ca 0.50 -0.91 0.01 0.00 -0.55 0.00 0.00 56.30 55.35 1y0c h ASN 78 Cb 0.52 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1y0c h ASN 78 CO -0.28 1.39 0.03 0.00 -1.65 0.00 0.00 177.43 176.92 1y0c h ALA 79 N 0.00 2.01 -0.02 -0.83 0.00 -0.12 -2.97 119.26 117.33 1y0c h ALA 79 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1y0c h ALA 79 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1y0c h ALA 79 CO 0.08 -0.05 -0.02 1.28 0.00 0.00 0.00 179.25 180.55 1y0c n LEU 80 N -4.49 2.41 -0.32 0.00 4.77 0.15 -4.72 117.00 114.79 1y0c n LEU 80 Ca -0.02 -0.99 0.06 0.00 -0.03 0.00 0.00 56.01 55.03 1y0c n LEU 80 Cb 0.13 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1y0c n LEU 80 CO 0.34 0.42 0.60 -0.24 -1.33 0.00 0.00 177.39 177.18 1y0c n SER 81 N 0.92 -0.31 -0.02 -1.43 2.88 -0.81 -1.16 113.62 113.69 1y0c n SER 81 Ca 0.10 1.54 -0.10 0.00 -1.33 0.00 0.00 58.87 59.08 1y0c n SER 81 Cb 0.43 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 1y0c n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y0c h ALA 82 N 1.80 0.19 -0.18 -1.46 0.00 -1.84 -1.22 119.26 116.54 1y0c h ALA 82 Ca 0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 1y0c h ALA 82 Cb 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1y0c h ALA 82 CO -0.92 -0.33 -0.38 1.25 0.00 0.00 0.00 179.25 178.86 1y0c h LEU 83 N 0.20 0.43 -0.71 0.00 5.85 -1.68 -1.82 115.31 117.58 1y0c h LEU 83 Ca 0.06 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1y0c h LEU 83 Cb -0.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1y0c h LEU 83 CO -0.02 0.77 0.38 -1.28 -0.34 0.00 0.00 178.44 177.95 1y0c h SER 84 N 0.34 0.89 -0.16 1.25 0.87 -0.77 -1.85 113.55 114.13 1y0c h SER 84 Ca 0.03 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1y0c h SER 84 Cb 0.83 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1y0c h SER 84 CO 0.07 0.74 -0.05 0.44 -0.53 0.00 0.00 176.83 177.50 1y0c h ASP 85 N 0.98 0.32 -0.30 6.23 3.32 -1.09 -1.53 116.42 124.35 1y0c h ASP 85 Ca 0.25 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1y0c h ASP 85 Cb 0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1y0c h ASP 85 CO -0.04 0.63 0.20 0.25 -1.72 0.00 0.00 179.24 178.56 1y0c h LEU 86 N 0.01 0.34 -0.46 1.55 5.85 -1.17 0.14 115.31 121.56 1y0c h LEU 86 Ca 0.04 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.61 1y0c h LEU 86 Cb 0.49 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1y0c h LEU 86 CO 0.02 0.25 -0.29 0.45 -0.34 0.00 0.00 178.44 178.52 1y0c h HIS 87 N 0.40 1.12 -0.36 1.25 3.86 -1.37 0.13 115.15 120.18 1y0c h HIS 87 Ca 0.11 -0.30 -0.14 0.00 -1.16 0.00 0.00 60.37 58.87 1y0c h HIS 87 Cb -0.05 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1y0c h HIS 87 CO -0.06 1.12 -0.34 0.00 0.86 0.00 0.00 177.93 179.52 1y0c h ALA 88 N 0.85 0.53 0.00 2.45 0.00 -1.15 0.21 119.26 122.15 1y0c h ALA 88 Ca 0.09 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.30 1y0c h ALA 88 Cb 0.88 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1y0c h ALA 88 CO 0.08 0.59 -2.10 0.72 0.00 0.00 0.00 179.25 178.55 1y0c n HIS 89 N -4.13 0.00 -0.02 0.00 8.25 0.02 -4.60 115.22 114.74 1y0c n HIS 89 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1y0c n HIS 89 Cb 0.51 -0.77 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 1y0c n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0c n LYS 90 N -2.55 0.15 -0.26 -0.41 4.81 0.37 -4.79 118.16 115.47 1y0c n LYS 90 Ca -0.24 0.06 -0.07 0.00 -0.87 0.00 0.00 58.31 57.19 1y0c n LYS 90 Cb 0.97 -0.67 0.05 0.00 0.02 0.00 0.00 35.03 35.40 1y0c n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0c h LEU 91 N -0.28 1.06 -2.62 3.14 3.38 -1.49 -3.47 115.31 115.03 1y0c h LEU 91 Ca 0.00 -0.22 -0.52 0.00 0.09 0.00 0.00 57.88 57.24 1y0c h LEU 91 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1y0c h LEU 91 CO 0.00 1.00 -0.93 0.54 0.09 0.00 0.00 178.44 179.13 1y0c n ARG 92 N -4.27 -1.91 -2.39 1.13 1.74 0.06 -4.91 116.66 106.12 1y0c n ARG 92 Ca 0.05 0.32 -0.42 0.00 -0.77 0.00 0.00 57.85 57.04 1y0c n ARG 92 Cb 0.24 -3.95 -0.03 0.00 -1.02 0.00 0.00 32.46 27.69 1y0c n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0c s VAL 93 N -3.82 3.84 0.29 1.55 1.01 -1.25 -4.97 120.40 117.05 1y0c s VAL 93 Ca 0.21 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.29 1y0c s VAL 93 Cb -0.09 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 1y0c s VAL 93 CO 0.91 0.15 1.44 -0.62 0.00 0.00 0.00 175.10 176.98 1y0c s ASP 94 N 0.75 6.60 0.31 3.32 2.15 -1.26 -4.88 116.67 123.65 1y0c s ASP 94 Ca 0.57 2.76 0.06 0.00 0.43 0.00 0.00 52.55 56.38 1y0c s ASP 94 Cb -0.31 -2.64 0.84 0.00 -0.30 0.00 0.00 42.92 40.51 1y0c s ASP 94 CO 0.32 -0.72 1.66 -0.65 -0.17 0.00 0.00 175.17 175.60 1y0c h PRO 95 N 4.38 0.26 -0.04 4.34 0.11 -2.00 -0.54 132.00 138.51 1y0c h PRO 95 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1y0c h PRO 95 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y0c h PRO 95 CO 0.73 0.17 0.10 -0.39 -0.21 0.00 0.00 178.00 178.40 1y0c h VAL 96 N 0.26 0.20 0.00 3.15 -1.51 -2.03 -1.86 116.25 114.46 1y0c h VAL 96 Ca 0.61 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 66.02 1y0c h VAL 96 Cb 1.29 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1y0c h VAL 96 CO -0.63 0.00 -0.30 0.78 -1.23 0.00 0.00 177.57 176.19 1y0c h ASN 97 N 0.00 0.00 -0.68 4.19 4.21 -1.45 -3.15 115.58 118.69 1y0c h ASN 97 Ca 0.02 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1y0c h ASN 97 Cb 0.21 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.38 1y0c h ASN 97 CO -0.00 0.30 0.35 -0.26 -1.29 0.00 0.00 177.43 176.53 1y0c h PHE 98 N 0.00 0.96 -0.00 1.19 0.04 -1.50 -1.49 116.94 116.14 1y0c h PHE 98 Ca -0.00 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1y0c h PHE 98 Cb 0.76 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 1y0c h PHE 98 CO 0.00 0.70 -0.13 1.57 -0.60 0.00 0.00 178.31 179.85 1y0c h LYS 99 N 0.94 0.00 -0.19 1.51 2.10 -1.70 -1.87 116.57 117.37 1y0c h LYS 99 Ca 0.24 -0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.73 1y0c h LYS 99 Cb 0.08 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1y0c h LYS 99 CO -0.03 0.13 -0.50 -0.07 -2.00 0.00 0.00 179.45 176.98 1y0c h LEU 100 N 0.00 0.78 -0.20 7.07 3.38 -1.35 -2.28 115.31 122.70 1y0c h LEU 100 Ca -0.00 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1y0c h LEU 100 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1y0c h LEU 100 CO 0.02 1.21 -0.08 0.25 0.09 0.00 0.00 178.44 179.92 1y0c h LEU 101 N 0.38 0.42 -0.37 1.67 5.85 -1.24 -2.47 115.31 119.55 1y0c h LEU 101 Ca -0.01 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.39 1y0c h LEU 101 Cb 1.11 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 1y0c h LEU 101 CO 0.11 0.73 -0.31 0.28 -0.34 0.00 0.00 178.44 178.91 1y0c h SER 102 N 0.11 -1.01 -0.60 1.25 0.02 -1.38 0.37 113.55 112.31 1y0c h SER 102 Ca 0.05 0.18 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1y0c h SER 102 Cb 0.56 0.48 -0.07 0.00 0.14 0.00 0.00 62.40 63.51 1y0c h SER 102 CO 0.03 -0.31 0.23 -0.74 -1.14 0.00 0.00 176.83 174.90 1y0c h HIS 103 N -0.25 0.41 0.00 3.45 -0.00 -1.35 -0.09 115.15 117.32 1y0c h HIS 103 Ca 0.17 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 1y0c h HIS 103 Cb 0.52 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 1y0c h HIS 103 CO -0.51 0.12 -0.24 0.00 -0.00 0.00 0.00 177.93 177.30 1y0c h LEU 105 N 0.00 0.95 -0.44 0.00 5.85 0.74 -2.44 115.31 119.97 1y0c h LEU 105 Ca -0.00 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 1y0c h LEU 105 Cb 0.82 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1y0c h LEU 105 CO 0.03 1.35 0.12 -0.07 -0.34 0.00 0.00 178.44 179.53 1y0c h LEU 106 N 0.59 0.66 -0.17 2.25 3.38 -0.78 -1.88 115.31 119.37 1y0c h LEU 106 Ca -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1y0c h LEU 106 Cb 1.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1y0c h LEU 106 CO 0.13 0.71 0.09 0.58 0.09 0.00 0.00 178.44 180.04 1y0c h VAL 107 N 0.58 1.12 -0.47 1.22 2.07 -1.37 -1.14 116.25 118.26 1y0c h VAL 107 Ca 0.14 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1y0c h VAL 107 Cb 0.30 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1y0c h VAL 107 CO -0.00 0.11 0.27 0.74 0.02 0.00 0.00 177.57 178.72 1y0c h THR 108 N 0.16 1.04 -0.13 2.57 2.02 -1.33 -1.31 112.91 115.93 1y0c h THR 108 Ca 0.06 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1y0c h THR 108 Cb 0.10 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1y0c h THR 108 CO -0.01 0.10 0.06 -0.07 0.37 0.00 0.00 175.52 175.97 1y0c h LEU 109 N 0.55 0.18 -0.74 2.58 3.38 -1.24 -1.80 115.31 118.21 1y0c h LEU 109 Ca 0.19 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1y0c h LEU 109 Cb 0.03 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1y0c h LEU 109 CO -0.09 0.27 0.23 0.00 0.09 0.00 0.00 178.44 178.93 1y0c h ALA 110 N 0.92 1.01 0.00 1.53 0.00 -0.91 0.62 119.26 122.43 1y0c h ALA 110 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y0c h ALA 110 Cb 0.14 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1y0c h ALA 110 CO -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1y0c h ALA 111 N 1.59 1.00 0.00 0.00 0.00 -0.99 -3.28 119.26 117.58 1y0c h ALA 111 Ca 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1y0c h ALA 111 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1y0c h ALA 111 CO -0.47 0.00 -1.48 0.72 0.00 0.00 0.00 179.25 178.02 1y0c n HIS 112 N -2.56 0.00 -3.12 0.00 -0.00 0.11 -4.81 115.22 104.84 1y0c n HIS 112 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.47 1y0c n HIS 112 Cb 0.29 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.99 29.93 1y0c n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y0c n LEU 113 N -2.03 4.09 -0.19 2.41 4.77 0.18 -4.91 117.00 121.32 1y0c n LEU 113 Ca -0.07 -5.57 -0.01 0.00 -0.03 0.00 0.00 56.01 50.33 1y0c n LEU 113 Cb 0.46 -0.55 0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1y0c n LEU 113 CO 0.18 2.25 0.95 1.55 -1.33 0.00 0.00 177.39 180.99 1y0c h PRO 114 N 3.42 0.32 -0.37 3.23 0.13 -1.81 0.27 132.00 137.19 1y0c h PRO 114 Ca 0.15 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.14 1y0c h PRO 114 Cb 0.57 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1y0c h PRO 114 CO 0.81 0.21 -0.28 0.00 -0.23 0.00 0.00 178.00 178.51 1y0c h ALA 115 N 1.42 0.81 0.00 -0.56 0.00 -1.93 -3.25 119.26 115.75 1y0c h ALA 115 Ca 0.29 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1y0c h ALA 115 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1y0c h ALA 115 CO -0.33 0.65 -1.19 1.05 0.00 0.00 0.00 179.25 179.42 1y0c h GLU 116 N 0.67 0.00 -3.79 0.00 9.09 -1.84 -3.42 114.58 115.30 1y0c h GLU 116 Ca 0.08 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.97 1y0c h GLU 116 Cb 0.81 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.93 1y0c h GLU 116 CO 0.07 0.21 2.67 0.34 0.05 0.00 0.00 179.01 182.35 1y0c n PHE 117 N -2.86 1.81 -2.36 2.06 7.35 0.92 -4.68 117.46 119.70 1y0c n PHE 117 Ca -0.06 -2.10 -0.28 0.00 -0.76 0.00 0.00 57.45 54.25 1y0c n PHE 117 Cb 0.74 -1.83 0.01 0.00 0.35 0.00 0.00 39.48 38.75 1y0c n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0c s THR 118 N 3.80 4.42 0.22 -2.13 -4.23 -1.26 -4.81 115.64 111.65 1y0c s THR 118 Ca 0.49 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.22 1y0c s THR 118 Cb 0.13 -3.72 0.18 0.00 1.34 0.00 0.00 72.50 70.42 1y0c s THR 118 CO 0.01 -0.79 1.72 -0.65 -0.54 0.00 0.00 174.62 174.37 1y0c h PRO 119 N -0.06 0.31 -0.57 3.99 0.11 -1.99 0.58 132.00 134.38 1y0c h PRO 119 Ca -0.46 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1y0c h PRO 119 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1y0c h PRO 119 CO 0.62 0.21 0.07 0.00 -0.21 0.00 0.00 178.00 178.68 1y0c h ALA 120 N 1.49 0.75 -0.36 -0.75 0.00 -1.95 -2.09 119.26 116.36 1y0c h ALA 120 Ca 0.34 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1y0c h ALA 120 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y0c h ALA 120 CO -0.39 0.53 -0.44 0.28 0.00 0.00 0.00 179.25 179.23 1y0c h VAL 121 N 0.85 1.27 -0.30 0.00 2.07 -1.53 -2.69 116.25 115.92 1y0c h VAL 121 Ca 0.17 -1.61 0.05 0.00 0.82 0.00 0.00 66.70 66.13 1y0c h VAL 121 Cb 0.45 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1y0c h VAL 121 CO 0.02 0.54 -0.01 -0.74 0.02 0.00 0.00 177.57 177.39 1y0c h HIS 122 N 0.75 -0.03 -0.41 1.57 6.17 0.25 -0.90 115.15 122.54 1y0c h HIS 122 Ca 0.05 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1y0c h HIS 122 Cb 1.04 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 31.00 1y0c h HIS 122 CO 0.07 -0.06 0.22 0.00 0.71 0.00 0.00 177.93 178.86 1y0c h ALA 123 N 1.26 0.51 -0.32 5.26 0.00 -1.34 -1.79 119.26 122.84 1y0c h ALA 123 Ca 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1y0c h ALA 123 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1y0c h ALA 123 CO -0.25 -0.13 -0.22 0.77 0.00 0.00 0.00 179.25 179.42 1y0c h SER 124 N 0.44 0.76 -0.19 0.00 0.02 -1.19 -2.36 113.55 111.03 1y0c h SER 124 Ca 0.17 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 1y0c h SER 124 Cb 0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1y0c h SER 124 CO -0.10 1.03 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.45 1y0c h LEU 125 N 0.49 0.54 -0.00 5.07 3.38 -1.16 -1.17 115.31 122.46 1y0c h LEU 125 Ca 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1y0c h LEU 125 Cb 0.78 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1y0c h LEU 125 CO 0.06 0.68 -0.00 -0.78 0.09 0.00 0.00 178.44 178.49 1y0c h ASP 126 N 0.52 0.00 -0.88 -0.43 3.58 -1.25 -0.98 116.42 116.98 1y0c h ASP 126 Ca 0.10 -0.42 0.02 0.00 0.42 0.00 0.00 57.03 57.15 1y0c h ASP 126 Cb 0.48 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 1y0c h ASP 126 CO 0.03 0.42 0.57 0.11 -2.88 0.00 0.00 179.24 177.50 1y0c h LYS 127 N -0.42 1.11 0.46 0.28 1.57 -1.33 -1.76 116.57 116.48 1y0c h LYS 127 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1y0c h LYS 127 Cb 0.42 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1y0c h LYS 127 CO 0.00 0.74 -0.31 0.35 -0.57 0.00 0.00 179.45 179.66 1y0c h PHE 128 N 1.15 -0.81 -0.39 -1.35 3.57 -1.15 -1.30 116.94 116.66 1y0c h PHE 128 Ca 0.33 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 1y0c h PHE 128 Cb -0.07 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1y0c h PHE 128 CO -0.01 -0.46 0.22 -0.07 -2.23 0.00 0.00 178.31 175.76 1y0c h LEU 129 N -0.74 0.47 -0.82 0.59 3.38 -0.96 -0.87 115.31 116.37 1y0c h LEU 129 Ca -0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1y0c h LEU 129 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1y0c h LEU 129 CO 0.03 0.38 -0.08 0.00 0.09 0.00 0.00 178.44 178.86 1y0c h ALA 130 N 1.70 1.01 0.02 1.53 0.00 -1.05 -1.99 119.26 120.48 1y0c h ALA 130 Ca 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1y0c h ALA 130 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1y0c h ALA 130 CO -0.02 0.60 -0.01 0.77 0.00 0.00 0.00 179.25 180.58 1y0c h SER 131 N 0.73 -0.03 -0.53 0.00 0.02 -0.04 -1.68 113.55 112.02 1y0c h SER 131 Ca 0.13 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1y0c h SER 131 Cb 0.56 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1y0c h SER 131 CO 0.03 0.28 0.33 0.58 -1.14 0.00 0.00 176.83 176.91 1y0c h VAL 132 N -0.33 1.07 -0.82 2.27 2.07 -1.16 -1.99 116.25 117.36 1y0c h VAL 132 Ca -0.00 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1y0c h VAL 132 Cb 0.32 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1y0c h VAL 132 CO 0.00 0.12 0.54 0.28 0.02 0.00 0.00 177.57 178.53 1y0c h SER 133 N 0.65 0.94 -0.80 0.57 0.02 -1.33 -1.41 113.55 112.20 1y0c h SER 133 Ca 0.21 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1y0c h SER 133 Cb -0.00 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.26 1y0c h SER 133 CO -0.08 0.69 0.41 0.74 -1.14 0.00 0.00 176.83 177.45 1y0c h THR 134 N 1.11 1.25 0.15 -2.27 2.02 -0.94 -2.51 112.91 111.71 1y0c h THR 134 Ca 0.30 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1y0c h THR 134 Cb -0.12 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1y0c h THR 134 CO -0.06 0.29 -0.07 0.58 0.37 0.00 0.00 175.52 176.62 1y0c h VAL 135 N 1.14 0.99 0.00 3.16 2.07 -0.88 -1.77 116.25 120.97 1y0c h VAL 135 Ca 0.28 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1y0c h VAL 135 Cb 0.08 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1y0c h VAL 135 CO -0.04 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1y0c h LEU 136 N -0.52 0.00 -1.51 2.57 3.38 -1.05 -1.99 115.31 116.19 1y0c h LEU 136 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y0c h LEU 136 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1y0c h LEU 136 CO 0.03 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.97 1y0c n THR 137 N -2.50 0.19 0.20 0.22 -1.04 -0.96 -4.40 114.28 106.00 1y0c n THR 137 Ca -0.02 -0.60 0.05 0.00 -2.04 0.00 0.00 64.05 61.44 1y0c n THR 137 Cb 0.06 0.98 0.43 0.00 -1.82 0.00 0.00 70.33 69.97 1y0c n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y0c h SER 138 N 0.83 0.00 -0.67 8.00 4.64 -0.52 -3.15 113.55 122.68 1y0c h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y0c h SER 138 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1y0c h SER 138 CO 0.00 0.31 0.00 0.29 -0.87 0.00 0.00 176.83 176.56 1y0c n LYS 139 N -4.01 3.27 -0.02 4.77 5.02 -1.26 -4.64 118.16 121.29 1y0c n LYS 139 Ca -0.02 -2.77 0.02 0.00 -2.02 0.00 0.00 58.31 53.53 1y0c n LYS 139 Cb 0.37 -1.73 0.36 0.00 -0.02 0.00 0.00 35.03 34.00 1y0c n LYS 139 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1y0c h PHE 140 N 4.07 0.57 0.00 2.13 0.05 -1.86 -3.46 116.94 118.44 1y0c h PHE 140 Ca 0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1y0c h PHE 140 Cb 1.23 -0.18 0.00 0.00 2.00 0.00 0.00 35.95 39.00 1y0c h PHE 140 CO 0.63 0.43 0.00 2.89 -0.18 0.00 0.00 178.31 182.08