#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0d s LEU 2 N 0.00 4.23 0.71 7.52 1.43 -1.26 -5.05 118.68 126.26 1y0d s LEU 2 Ca 0.00 1.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.60 1y0d s LEU 2 Cb 0.00 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.75 1y0d s LEU 2 CO 0.00 -0.51 1.01 -0.94 0.23 0.00 0.00 176.35 176.14 1y0d s SER 3 N 1.20 4.62 0.23 2.29 1.04 -1.26 -4.88 113.70 116.94 1y0d s SER 3 Ca 0.49 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 57.10 1y0d s SER 3 Cb -0.19 -0.81 0.35 0.00 0.10 0.00 0.00 66.02 65.47 1y0d s SER 3 CO 0.17 -1.70 1.78 -0.65 0.98 0.00 0.00 173.24 173.82 1y0d h PRO 4 N -0.61 0.60 -0.71 4.02 0.11 -2.00 -0.89 132.00 132.54 1y0d h PRO 4 Ca -0.43 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1y0d h PRO 4 Cb 1.30 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1y0d h PRO 4 CO 0.54 0.40 0.28 0.00 -0.21 0.00 0.00 178.00 179.01 1y0d h ALA 5 N 1.44 0.92 -0.47 -0.75 0.00 -1.99 -1.36 119.26 117.05 1y0d h ALA 5 Ca 0.36 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1y0d h ALA 5 Cb 0.38 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1y0d h ALA 5 CO -0.27 0.54 0.23 -0.44 0.00 0.00 0.00 179.25 179.31 1y0d h ASP 6 N 1.01 0.33 -0.57 0.00 3.32 -1.61 0.26 116.42 119.16 1y0d h ASP 6 Ca 0.24 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1y0d h ASP 6 Cb 0.21 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1y0d h ASP 6 CO -0.02 0.23 0.37 0.11 -1.72 0.00 0.00 179.24 178.22 1y0d h LYS 7 N 0.46 0.76 -0.63 3.56 1.57 -0.56 0.31 116.57 122.04 1y0d h LYS 7 Ca 0.21 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1y0d h LYS 7 Cb 0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1y0d h LYS 7 CO -0.15 0.51 0.18 1.15 -0.57 0.00 0.00 179.45 180.57 1y0d h THR 8 N 0.78 1.25 -0.50 -0.16 2.02 -1.03 -1.42 112.91 113.85 1y0d h THR 8 Ca 0.21 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1y0d h THR 8 Cb -0.08 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1y0d h THR 8 CO -0.04 0.33 0.25 0.78 0.37 0.00 0.00 175.52 177.21 1y0d h ASN 9 N 0.91 0.64 -0.33 4.18 -0.26 -0.29 -0.44 115.58 119.99 1y0d h ASN 9 Ca 0.20 -0.11 -0.08 0.00 -0.56 0.00 0.00 56.30 55.75 1y0d h ASN 9 Cb 0.32 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.40 1y0d h ASN 9 CO -0.00 0.57 -0.09 0.58 -1.06 0.00 0.00 177.43 177.43 1y0d h VAL 10 N 0.66 1.28 -0.42 2.81 2.07 -0.82 -0.40 116.25 121.44 1y0d h VAL 10 Ca 0.17 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.45 1y0d h VAL 10 Cb 0.09 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1y0d h VAL 10 CO -0.02 0.37 -0.12 0.11 0.02 0.00 0.00 177.57 177.93 1y0d h LYS 11 N 0.43 0.75 0.40 1.57 1.57 -1.19 0.23 116.57 120.33 1y0d h LYS 11 Ca 0.08 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1y0d h LYS 11 Cb 0.59 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1y0d h LYS 11 CO 0.03 0.84 -0.19 0.00 -0.57 0.00 0.00 179.45 179.56 1y0d h ALA 12 N 1.19 -0.54 -0.01 3.86 0.00 -0.98 -0.18 119.26 122.60 1y0d h ALA 12 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1y0d h ALA 12 Cb 0.59 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1y0d h ALA 12 CO 0.04 -0.64 0.01 0.00 0.00 0.00 0.00 179.25 178.65 1y0d h ALA 13 N -0.45 0.01 -0.07 0.00 0.00 -1.03 -2.56 119.26 115.16 1y0d h ALA 13 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1y0d h ALA 13 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1y0d h ALA 13 CO 0.09 -0.48 -0.07 2.35 0.00 0.00 0.00 179.25 181.14 1y0d h TRP 14 N -0.00 0.10 -0.77 0.00 2.91 -1.02 -2.21 115.95 114.96 1y0d h TRP 14 Ca 0.00 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.05 1y0d h TRP 14 Cb 0.02 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 28.59 1y0d h TRP 14 CO -0.07 0.18 0.48 0.78 -1.03 0.00 0.00 178.44 178.78 1y0d h GLY 15 N 0.43 1.12 1.71 2.65 0.00 -0.62 -1.76 103.07 106.60 1y0d h GLY 15 Ca 0.02 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1y0d h GLY 15 CO 0.01 0.30 -0.52 0.50 0.00 0.00 0.00 176.54 176.83 1y0d h LYS 16 N 0.93 0.31 -0.38 4.80 1.79 -1.16 -3.00 116.57 119.86 1y0d h LYS 16 Ca 0.31 -0.18 0.05 0.00 -2.18 0.00 0.00 60.65 58.65 1y0d h LYS 16 Cb 0.04 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1y0d h LYS 16 CO -0.12 0.76 0.11 0.28 -1.08 0.00 0.00 179.45 179.40 1y0d h VAL 17 N 0.24 0.86 0.00 0.50 2.07 -1.03 -3.45 116.25 115.44 1y0d h VAL 17 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1y0d h VAL 17 Cb 1.00 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1y0d h VAL 17 CO 0.08 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.33 1y0d n GLY 18 N -1.23 3.12 0.00 2.17 0.00 -0.99 -1.33 105.19 106.93 1y0d n GLY 18 Ca 0.02 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1y0d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0d n ALA 19 N 10.52 2.32 1.04 4.61 0.00 -1.26 -2.76 120.51 134.98 1y0d n ALA 19 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1y0d n ALA 19 Cb 0.00 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.13 1y0d n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0d n HIS 20 N -1.04 0.00 -0.32 0.00 8.25 -0.45 -4.52 115.22 117.15 1y0d n HIS 20 Ca 0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.61 1y0d n HIS 20 Cb 0.09 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.22 1y0d n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y0d h ALA 21 N 3.71 0.18 -0.25 -1.41 0.00 -1.61 0.81 119.26 120.70 1y0d h ALA 21 Ca 0.00 0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1y0d h ALA 21 Cb 0.68 0.88 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 1y0d h ALA 21 CO 0.00 -0.60 -0.25 0.78 0.00 0.00 0.00 179.25 179.19 1y0d h GLY 22 N -0.05 -0.17 1.43 0.00 0.00 -1.85 0.12 103.07 102.55 1y0d h GLY 22 Ca 0.33 0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.93 1y0d h GLY 22 CO -0.88 -0.20 0.13 -2.09 0.00 0.00 0.00 176.54 173.50 1y0d h GLU 23 N -0.25 0.72 -0.12 4.80 4.81 -1.53 -1.71 114.58 121.30 1y0d h GLU 23 Ca 0.14 -0.13 -0.18 0.00 -0.13 0.00 0.00 59.36 59.06 1y0d h GLU 23 Cb 0.47 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1y0d h GLU 23 CO -0.39 0.65 -0.67 1.88 -0.73 0.00 0.00 179.01 179.74 1y0d h TYR 24 N 0.71 0.62 -0.30 0.92 0.99 -0.04 -1.72 116.97 118.16 1y0d h TYR 24 Ca 0.16 -0.26 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1y0d h TYR 24 Cb 0.24 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 37.85 1y0d h TYR 24 CO 0.01 1.00 0.14 0.78 -0.00 0.00 0.00 178.16 180.10 1y0d h GLY 25 N 1.16 0.46 1.00 3.88 0.00 -0.39 -0.29 103.07 108.89 1y0d h GLY 25 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1y0d h GLY 25 CO 0.12 0.22 0.36 0.00 0.00 0.00 0.00 176.54 177.23 1y0d h ALA 26 N 1.00 0.71 -0.58 3.60 0.00 -1.21 -2.03 119.26 120.75 1y0d h ALA 26 Ca 0.10 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1y0d h ALA 26 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1y0d h ALA 26 CO -0.01 0.16 0.04 1.49 0.00 0.00 0.00 179.25 180.93 1y0d h GLU 27 N 0.75 0.97 -0.52 0.00 4.81 -1.05 -1.26 114.58 118.29 1y0d h GLU 27 Ca 0.20 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1y0d h GLU 27 Cb -0.07 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 1y0d h GLU 27 CO -0.04 0.93 0.04 0.00 -0.73 0.00 0.00 179.01 179.21 1y0d h ALA 28 N 1.13 1.10 0.10 2.92 0.00 -0.73 0.16 119.26 123.93 1y0d h ALA 28 Ca 0.17 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y0d h ALA 28 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y0d h ALA 28 CO 0.02 0.58 -0.05 -0.07 0.00 0.00 0.00 179.25 179.73 1y0d h LEU 29 N 0.79 -0.11 -0.68 0.00 3.38 -1.04 -1.46 115.31 116.20 1y0d h LEU 29 Ca 0.16 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1y0d h LEU 29 Cb 0.42 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1y0d h LEU 29 CO 0.01 0.15 0.38 -0.08 0.09 0.00 0.00 178.44 179.00 1y0d h GLU 30 N -0.37 0.69 -0.87 1.13 4.81 -1.01 0.05 114.58 119.01 1y0d h GLU 30 Ca -0.01 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1y0d h GLU 30 Cb 0.31 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1y0d h GLU 30 CO 0.02 0.46 0.56 0.00 -0.73 0.00 0.00 179.01 179.32 1y0d h ARG 31 N 0.71 1.05 -0.47 1.92 3.08 -0.78 -2.42 114.38 117.47 1y0d h ARG 31 Ca 0.30 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1y0d h ARG 31 Cb 0.18 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1y0d h ARG 31 CO -0.18 0.70 0.11 1.98 -1.07 0.00 0.00 179.97 181.51 1y0d h MET 32 N 1.08 0.76 -0.75 0.04 4.05 -0.10 -0.79 114.93 119.22 1y0d h MET 32 Ca 0.35 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1y0d h MET 32 Cb 0.01 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.68 1y0d h MET 32 CO -0.12 0.75 0.47 0.74 0.23 0.00 0.00 176.91 178.98 1y0d h PHE 33 N 0.64 0.96 -0.03 1.39 0.04 -0.83 0.22 116.94 119.33 1y0d h PHE 33 Ca 0.15 0.01 -0.21 0.00 2.80 0.00 0.00 57.97 60.72 1y0d h PHE 33 Cb 0.34 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.18 1y0d h PHE 33 CO 0.02 0.63 -0.79 -0.07 -0.60 0.00 0.00 178.31 177.50 1y0d h LEU 34 N 1.02 0.75 0.04 1.54 3.38 -1.36 -3.20 115.31 117.48 1y0d h LEU 34 Ca 0.27 -0.72 -0.26 0.00 0.09 0.00 0.00 57.88 57.26 1y0d h LEU 34 Cb -0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1y0d h LEU 34 CO -0.05 1.37 -1.34 0.28 0.09 0.00 0.00 178.44 178.78 1y0d h SER 35 N 0.20 0.15 -2.45 -0.43 0.02 -1.11 -3.41 113.55 106.53 1y0d h SER 35 Ca -0.09 -0.20 -0.59 0.00 -0.84 0.00 0.00 61.79 60.07 1y0d h SER 35 Cb 1.46 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.55 1y0d h SER 35 CO 0.16 1.16 -0.81 0.49 -1.14 0.00 0.00 176.83 176.69 1y0d n PHE 36 N -3.32 1.33 0.10 3.45 3.01 0.78 -4.98 117.46 117.83 1y0d n PHE 36 Ca -0.09 -3.82 0.19 0.00 1.01 0.00 0.00 57.45 54.74 1y0d n PHE 36 Cb 1.00 -0.29 0.76 0.00 -0.01 0.00 0.00 39.48 40.94 1y0d n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y0d h PRO 37 N 4.89 0.00 0.00 -1.08 0.11 -1.69 -1.32 132.00 132.90 1y0d h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1y0d h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1y0d h PRO 37 CO 0.59 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.15 1y0d h THR 38 N 0.00 0.12 0.00 -1.15 1.35 -1.90 -2.07 112.91 109.26 1y0d h THR 38 Ca 0.18 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1y0d h THR 38 Cb 0.88 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1y0d h THR 38 CO -0.00 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1y0d h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.55 -2.83 112.91 116.70 1y0d h THR 39 Ca -0.00 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.27 1y0d h THR 39 Cb 0.17 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1y0d h THR 39 CO 0.00 0.00 -0.10 0.11 -0.25 0.00 0.00 175.52 175.28 1y0d h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.56 -2.86 116.57 118.43 1y0d h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0d h LYS 40 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1y0d h LYS 40 CO 0.00 0.10 0.01 1.79 -0.57 0.00 0.00 179.45 180.78 1y0d h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.69 0.15 112.91 112.57 1y0d h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y0d h THR 41 Cb 0.32 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1y0d h THR 41 CO 0.01 0.00 -0.59 -1.22 -0.25 0.00 0.00 175.52 173.48 1y0d n TYR 42 N -2.29 0.00 -2.51 4.73 4.01 -1.08 -4.35 117.16 115.67 1y0d n TYR 42 Ca -0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1y0d n TYR 42 Cb 0.04 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 38.89 1y0d n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0d n PHE 43 N -1.44 2.61 0.28 -0.72 3.01 0.53 -4.82 117.46 116.92 1y0d n PHE 43 Ca 0.06 -2.91 0.16 0.00 1.01 0.00 0.00 57.45 55.76 1y0d n PHE 43 Cb 0.34 -0.19 0.83 0.00 -0.01 0.00 0.00 39.48 40.45 1y0d n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0d h PRO 44 N 2.67 0.00 -0.15 -1.08 0.13 -1.76 -2.22 132.00 129.60 1y0d h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1y0d h PRO 44 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1y0d h PRO 44 CO 0.71 0.07 0.00 -2.39 -0.23 0.00 0.00 178.00 176.16 1y0d n HIS 45 N -3.43 0.18 -4.08 1.56 1.44 -1.26 -4.90 115.22 104.73 1y0d n HIS 45 Ca -0.02 -0.09 -0.31 0.00 -2.01 0.00 0.00 57.72 55.29 1y0d n HIS 45 Cb 0.21 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.25 1y0d n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0d s PHE 46 N -1.82 3.17 -0.42 -1.40 0.40 -0.84 -5.06 117.98 112.02 1y0d s PHE 46 Ca 0.32 0.08 -0.25 0.00 -0.60 0.00 0.00 56.93 56.48 1y0d s PHE 46 Cb 0.17 -1.63 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1y0d s PHE 46 CO 0.26 0.52 0.90 0.34 0.70 0.00 0.00 175.22 177.93 1y0d s ASP 47 N -2.26 6.56 -0.21 1.36 2.15 -1.26 -4.90 116.67 118.11 1y0d s ASP 47 Ca 0.28 0.30 0.15 0.00 0.43 0.00 0.00 52.55 53.70 1y0d s ASP 47 Cb -0.12 -2.44 0.79 0.00 -0.30 0.00 0.00 42.92 40.85 1y0d s ASP 47 CO 0.20 -0.93 1.71 0.18 -0.17 0.00 0.00 175.17 176.16 1y0d n LEU 48 N 6.90 5.49 -4.77 -1.34 4.77 -1.26 -4.53 117.00 122.27 1y0d n LEU 48 Ca 0.06 -2.78 -0.32 0.00 -0.03 0.00 0.00 56.01 52.94 1y0d n LEU 48 Cb 0.48 -0.66 0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1y0d n LEU 48 CO 0.60 0.66 0.71 -0.94 -1.33 0.00 0.00 177.39 177.10 1y0d s SER 49 N -0.79 4.67 -0.06 -1.43 1.04 -1.26 -4.88 113.70 110.98 1y0d s SER 49 Ca 0.53 1.86 -0.32 0.00 0.48 0.00 0.00 55.95 58.51 1y0d s SER 49 Cb 0.39 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.88 1y0d s SER 49 CO 0.18 -1.92 1.96 1.57 0.98 0.00 0.00 173.24 176.01 1y0d n HIS 50 N -3.23 2.34 -1.37 5.02 -0.00 -1.26 -0.81 115.22 115.91 1y0d n HIS 50 Ca 0.09 -0.15 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1y0d n HIS 50 Cb 0.53 -2.72 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 1y0d n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y0d n GLY 51 N 4.67 0.43 3.77 1.57 0.00 -1.26 -5.01 105.19 109.37 1y0d n GLY 51 Ca 0.23 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1y0d n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y0d s SER 52 N -2.95 6.47 0.34 1.61 0.15 0.01 -4.86 113.70 114.47 1y0d s SER 52 Ca 0.00 2.94 0.14 0.00 0.70 0.00 0.00 55.95 59.73 1y0d s SER 52 Cb 0.00 -2.66 0.62 0.00 -1.71 0.00 0.00 66.02 62.27 1y0d s SER 52 CO 0.00 -0.78 1.74 0.00 1.20 0.00 0.00 173.24 175.40 1y0d h ALA 53 N 3.31 1.13 -0.42 5.45 0.00 -1.90 -2.40 119.26 124.43 1y0d h ALA 53 Ca -0.50 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 53.96 1y0d h ALA 53 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1y0d h ALA 53 CO 0.66 0.56 0.11 1.96 0.00 0.00 0.00 179.25 182.54 1y0d h GLN 54 N 0.00 0.67 -0.29 0.00 4.20 -1.89 0.17 115.11 117.98 1y0d h GLN 54 Ca -0.00 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1y0d h GLN 54 Cb 0.86 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1y0d h GLN 54 CO 0.06 0.68 0.07 0.28 -0.67 0.00 0.00 178.83 179.25 1y0d h VAL 55 N 0.54 1.21 -0.54 -0.54 2.07 -1.77 0.27 116.25 117.50 1y0d h VAL 55 Ca 0.13 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1y0d h VAL 55 Cb 0.30 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1y0d h VAL 55 CO 0.00 0.23 0.30 0.11 0.02 0.00 0.00 177.57 178.23 1y0d h LYS 56 N 0.30 0.58 -0.56 1.57 1.79 -1.28 0.83 116.57 119.80 1y0d h LYS 56 Ca 0.09 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1y0d h LYS 56 Cb 0.28 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1y0d h LYS 56 CO 0.00 0.38 0.10 0.78 -1.08 0.00 0.00 179.45 179.63 1y0d h GLY 57 N 0.59 0.99 1.10 3.86 0.00 -0.47 -2.57 103.07 106.58 1y0d h GLY 57 Ca 0.23 -0.65 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1y0d h GLY 57 CO -0.13 0.61 -0.50 0.84 0.00 0.00 0.00 176.54 177.35 1y0d h HIS 58 N 0.81 1.04 -0.67 5.60 -0.00 0.39 -2.92 115.15 119.41 1y0d h HIS 58 Ca 0.17 -0.37 0.09 0.00 -0.00 0.00 0.00 60.37 60.26 1y0d h HIS 58 Cb 0.40 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.55 1y0d h HIS 58 CO 0.03 1.19 0.31 0.78 -0.00 0.00 0.00 177.93 180.23 1y0d h GLY 59 N 0.60 0.98 0.97 5.26 0.00 0.74 -1.75 103.07 109.87 1y0d h GLY 59 Ca 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1y0d h GLY 59 CO 0.11 0.04 0.23 1.70 0.00 0.00 0.00 176.54 178.62 1y0d h LYS 60 N 0.53 0.66 -0.34 4.80 3.64 -1.40 -1.13 116.57 123.34 1y0d h LYS 60 Ca 0.33 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1y0d h LYS 60 Cb 0.36 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1y0d h LYS 60 CO -0.27 0.55 0.15 0.87 -2.27 0.00 0.00 179.45 178.48 1y0d h LYS 61 N 0.61 0.30 -0.39 1.90 1.57 -1.17 0.44 116.57 119.84 1y0d h LYS 61 Ca 0.16 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1y0d h LYS 61 Cb 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1y0d h LYS 61 CO -0.02 0.20 0.12 0.28 -0.57 0.00 0.00 179.45 179.46 1y0d h VAL 62 N 0.31 1.22 -0.61 0.50 2.07 -1.21 -1.83 116.25 116.70 1y0d h VAL 62 Ca 0.15 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1y0d h VAL 62 Cb 0.09 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1y0d h VAL 62 CO -0.12 0.25 0.15 0.00 0.02 0.00 0.00 177.57 177.87 1y0d h ALA 63 N 0.96 0.80 -0.49 1.67 0.00 -0.91 -1.20 119.26 120.09 1y0d h ALA 63 Ca 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1y0d h ALA 63 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1y0d h ALA 63 CO -0.00 0.51 0.26 -0.44 0.00 0.00 0.00 179.25 179.58 1y0d h ASP 64 N 0.89 0.60 0.02 0.00 5.19 0.06 0.24 116.42 123.41 1y0d h ASP 64 Ca 0.19 -0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.40 1y0d h ASP 64 Cb 0.35 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1y0d h ASP 64 CO 0.00 0.50 -0.52 0.00 -3.12 0.00 0.00 179.24 176.10 1y0d h ALA 65 N 1.60 0.73 -0.31 3.45 0.00 -0.59 -1.62 119.26 122.52 1y0d h ALA 65 Ca 0.18 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1y0d h ALA 65 Cb 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1y0d h ALA 65 CO -0.03 0.68 -0.34 -0.07 0.00 0.00 0.00 179.25 179.50 1y0d h LEU 66 N 0.43 0.84 -1.08 0.00 3.38 -0.58 -1.19 115.31 117.11 1y0d h LEU 66 Ca 0.01 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1y0d h LEU 66 Cb 1.05 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 1y0d h LEU 66 CO 0.10 1.15 0.62 0.74 0.09 0.00 0.00 178.44 181.13 1y0d h THR 67 N 0.55 1.11 -0.34 0.22 2.02 -0.91 -0.56 112.91 115.01 1y0d h THR 67 Ca 0.05 -0.39 -0.11 0.00 0.77 0.00 0.00 66.41 66.73 1y0d h THR 67 Cb 0.92 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1y0d h THR 67 CO 0.08 0.21 -0.23 -1.13 0.37 0.00 0.00 175.52 174.82 1y0d h ASN 68 N 1.14 0.67 -0.08 4.18 -1.24 -1.07 -2.00 115.58 117.18 1y0d h ASN 68 Ca 0.40 -0.23 -0.16 0.00 0.71 0.00 0.00 56.30 57.02 1y0d h ASN 68 Cb 0.11 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1y0d h ASN 68 CO -0.14 0.88 -0.49 0.00 -1.29 0.00 0.00 177.43 176.39 1y0d h ALA 69 N 1.17 0.70 -0.63 1.57 0.00 -0.13 -2.66 119.26 119.28 1y0d h ALA 69 Ca 0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1y0d h ALA 69 Cb 0.70 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1y0d h ALA 69 CO 0.05 0.68 0.23 0.28 0.00 0.00 0.00 179.25 180.49 1y0d h VAL 70 N 0.51 1.24 0.00 0.00 2.07 -1.00 -1.46 116.25 117.60 1y0d h VAL 70 Ca 0.02 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1y0d h VAL 70 Cb 1.04 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1y0d h VAL 70 CO 0.10 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.85 1y0d h ALA 71 N 1.09 1.59 -0.74 1.67 0.00 -1.28 -2.92 119.26 118.67 1y0d h ALA 71 Ca 0.21 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.49 1y0d h ALA 71 Cb 0.23 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.57 1y0d h ALA 71 CO -0.01 0.17 -0.86 0.72 0.00 0.00 0.00 179.25 179.26 1y0d n HIS 72 N -4.10 2.54 0.18 0.00 8.25 -1.01 -4.87 115.22 116.21 1y0d n HIS 72 Ca -0.02 -2.25 0.18 0.00 -0.26 0.00 0.00 57.72 55.36 1y0d n HIS 72 Cb 0.22 -0.31 0.73 0.00 1.12 0.00 0.00 29.99 31.74 1y0d n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0d h VAL 73 N 2.72 0.20 -0.63 1.59 3.04 -1.07 0.60 116.25 122.70 1y0d h VAL 73 Ca 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.98 1y0d h VAL 73 Cb 1.47 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1y0d h VAL 73 CO 0.68 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.71 1y0d n ASP 74 N -3.33 3.50 -2.71 3.17 8.00 -1.26 -4.44 116.55 119.47 1y0d n ASP 74 Ca 0.04 -1.99 -0.02 0.00 0.71 0.00 0.00 54.79 53.53 1y0d n ASP 74 Cb 0.59 -0.42 0.11 0.00 -0.02 0.00 0.00 41.12 41.38 1y0d n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y0d n ASP 75 N 1.42 -0.75 -0.24 -2.24 2.03 0.21 -5.00 116.55 111.99 1y0d n ASP 75 Ca 0.22 -2.17 -0.00 0.00 0.52 0.00 0.00 54.79 53.35 1y0d n ASP 75 Cb 0.56 0.41 0.12 0.00 -0.72 0.00 0.00 41.12 41.49 1y0d n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0d h MET 76 N 1.39 0.64 -0.78 -0.67 2.86 -1.68 0.18 114.93 116.86 1y0d h MET 76 Ca -0.38 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1y0d h MET 76 Cb 1.29 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.76 1y0d h MET 76 CO -0.10 0.42 0.51 -1.35 1.06 0.00 0.00 176.91 177.45 1y0d h PRO 77 N 0.66 0.73 0.11 -0.22 0.11 -1.94 -0.59 132.00 130.85 1y0d h PRO 77 Ca 0.32 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.15 1y0d h PRO 77 Cb 0.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1y0d h PRO 77 CO -0.22 0.48 -1.18 -0.91 -0.21 0.00 0.00 178.00 175.96 1y0d h ASN 78 N 0.75 0.36 -0.28 -2.05 2.35 -1.85 -2.76 115.58 112.11 1y0d h ASN 78 Ca 0.36 -0.86 0.04 0.00 -0.55 0.00 0.00 56.30 55.28 1y0d h ASN 78 Cb 0.39 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1y0d h ASN 78 CO -0.13 1.52 0.19 0.00 -1.65 0.00 0.00 177.43 177.36 1y0d h ALA 79 N -0.04 2.02 -0.18 -0.83 0.00 -0.69 -2.97 119.26 116.57 1y0d h ALA 79 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1y0d h ALA 79 Cb 1.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1y0d h ALA 79 CO 0.06 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1y0d n LEU 80 N -4.49 2.65 -0.38 0.00 4.77 -0.26 -4.76 117.00 114.53 1y0d n LEU 80 Ca 0.03 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 1y0d n LEU 80 Cb 0.21 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1y0d n LEU 80 CO 0.35 0.56 0.60 -1.28 -1.33 0.00 0.00 177.39 176.28 1y0d h SER 81 N 2.97 -1.35 -0.68 -1.43 0.87 -1.31 -0.89 113.55 111.73 1y0d h SER 81 Ca 0.00 0.31 0.05 0.00 -1.23 0.00 0.00 61.79 60.92 1y0d h SER 81 Cb 0.71 0.73 -0.05 0.00 -0.44 0.00 0.00 62.40 63.35 1y0d h SER 81 CO 0.00 -0.30 0.39 0.00 -0.53 0.00 0.00 176.83 176.39 1y0d h ALA 82 N 1.48 0.91 -0.33 6.23 0.00 -1.86 -0.92 119.26 124.77 1y0d h ALA 82 Ca 0.37 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1y0d h ALA 82 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1y0d h ALA 82 CO -0.99 0.08 -0.31 1.25 0.00 0.00 0.00 179.25 179.28 1y0d h LEU 83 N 0.72 0.72 -0.32 0.00 5.85 -1.67 -1.06 115.31 119.55 1y0d h LEU 83 Ca 0.30 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1y0d h LEU 83 Cb 0.16 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1y0d h LEU 83 CO -0.17 0.98 0.17 -1.28 -0.34 0.00 0.00 178.44 177.80 1y0d h SER 84 N 0.59 0.41 0.02 1.25 0.87 -0.50 -1.82 113.55 114.38 1y0d h SER 84 Ca 0.07 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1y0d h SER 84 Cb 0.82 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1y0d h SER 84 CO 0.07 0.39 -0.01 0.44 -0.53 0.00 0.00 176.83 177.19 1y0d h ASP 85 N 0.39 -0.03 -0.36 6.23 3.32 -1.09 -0.84 116.42 124.05 1y0d h ASP 85 Ca 0.11 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 57.07 1y0d h ASP 85 Cb 0.08 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.57 1y0d h ASP 85 CO -0.02 0.15 -0.07 0.25 -1.72 0.00 0.00 179.24 177.83 1y0d h LEU 86 N -0.20 -0.30 -0.47 1.55 5.85 -1.09 0.74 115.31 121.39 1y0d h LEU 86 Ca -0.00 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1y0d h LEU 86 Cb 0.19 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1y0d h LEU 86 CO 0.01 -0.11 -0.45 0.45 -0.34 0.00 0.00 178.44 178.00 1y0d h HIS 87 N 0.01 0.92 -0.26 1.25 3.86 -1.28 -0.05 115.15 119.61 1y0d h HIS 87 Ca 0.17 -0.29 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 1y0d h HIS 87 Cb 0.26 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1y0d h HIS 87 CO -0.31 1.07 -0.28 0.00 0.86 0.00 0.00 177.93 179.26 1y0d h ALA 88 N 0.88 0.38 0.00 2.45 0.00 -0.77 0.15 119.26 122.36 1y0d h ALA 88 Ca 0.04 -0.40 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 1y0d h ALA 88 Cb 1.01 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1y0d h ALA 88 CO 0.10 0.39 -2.30 0.72 0.00 0.00 0.00 179.25 178.15 1y0d n HIS 89 N -4.30 0.14 -0.03 0.00 8.25 0.22 -4.50 115.22 115.00 1y0d n HIS 89 Ca -0.04 0.05 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 1y0d n HIS 89 Cb 0.46 -1.03 -0.02 0.00 1.12 0.00 0.00 29.99 30.52 1y0d n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0d n LYS 90 N -2.81 0.26 -0.10 -0.41 4.81 -0.12 -4.79 118.16 115.00 1y0d n LYS 90 Ca -0.31 0.11 -0.12 0.00 -0.87 0.00 0.00 58.31 57.12 1y0d n LYS 90 Cb 1.14 -0.95 0.01 0.00 0.02 0.00 0.00 35.03 35.24 1y0d n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0d h LEU 91 N -0.48 0.93 -2.33 3.14 3.38 -1.44 -3.47 115.31 115.03 1y0d h LEU 91 Ca -0.09 -0.42 -0.50 0.00 0.09 0.00 0.00 57.88 56.97 1y0d h LEU 91 Cb 0.69 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1y0d h LEU 91 CO -0.05 1.19 -0.91 0.54 0.09 0.00 0.00 178.44 179.30 1y0d n ARG 92 N -4.06 -2.55 -2.46 1.13 1.74 0.53 -4.90 116.66 106.09 1y0d n ARG 92 Ca -0.02 0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 1y0d n ARG 92 Cb 0.53 -4.27 -0.03 0.00 -1.02 0.00 0.00 32.46 27.67 1y0d n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0d s VAL 93 N -3.84 4.06 0.23 1.55 1.01 -1.25 -4.98 120.40 117.18 1y0d s VAL 93 Ca 0.14 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1y0d s VAL 93 Cb -0.05 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1y0d s VAL 93 CO 0.89 0.15 1.47 -0.62 0.00 0.00 0.00 175.10 176.99 1y0d s ASP 94 N 0.81 6.63 0.34 3.32 2.15 -1.26 -4.89 116.67 123.77 1y0d s ASP 94 Ca 0.56 2.66 0.13 0.00 0.43 0.00 0.00 52.55 56.34 1y0d s ASP 94 Cb -0.29 -2.62 1.05 0.00 -0.30 0.00 0.00 42.92 40.76 1y0d s ASP 94 CO 0.30 -0.73 1.67 -0.65 -0.17 0.00 0.00 175.17 175.59 1y0d h PRO 95 N 5.39 0.33 0.00 4.34 0.11 -2.00 -0.33 132.00 139.84 1y0d h PRO 95 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y0d h PRO 95 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1y0d h PRO 95 CO 0.80 0.22 -0.01 -0.39 -0.21 0.00 0.00 178.00 178.41 1y0d h VAL 96 N 0.34 0.18 0.00 3.15 -1.51 -2.04 -2.33 116.25 114.04 1y0d h VAL 96 Ca 0.71 -0.09 -0.07 0.00 -1.23 0.00 0.00 66.70 66.03 1y0d h VAL 96 Cb 1.60 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.82 1y0d h VAL 96 CO -0.60 0.01 -0.32 0.78 -1.23 0.00 0.00 177.57 176.21 1y0d h ASN 97 N 0.00 0.00 -0.90 4.19 4.21 -1.42 -3.15 115.58 118.51 1y0d h ASN 97 Ca -0.00 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.52 1y0d h ASN 97 Cb 0.07 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.22 1y0d h ASN 97 CO 0.00 0.32 0.59 -0.26 -1.29 0.00 0.00 177.43 176.79 1y0d h PHE 98 N 0.00 1.12 0.00 1.19 0.04 -1.59 -1.71 116.94 115.99 1y0d h PHE 98 Ca -0.00 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1y0d h PHE 98 Cb 0.77 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1y0d h PHE 98 CO 0.00 0.69 -0.24 1.57 -0.60 0.00 0.00 178.31 179.73 1y0d h LYS 99 N 1.20 0.00 -0.03 1.51 2.10 -1.72 -1.47 116.57 118.17 1y0d h LYS 99 Ca 0.34 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.73 1y0d h LYS 99 Cb -0.11 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.24 1y0d h LYS 99 CO -0.08 0.24 -0.99 -0.07 -2.00 0.00 0.00 179.45 176.55 1y0d h LEU 100 N 0.00 0.92 -0.18 7.07 3.38 -1.40 -2.23 115.31 122.87 1y0d h LEU 100 Ca -0.00 -0.72 -0.06 0.00 0.09 0.00 0.00 57.88 57.19 1y0d h LEU 100 Cb 0.43 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1y0d h LEU 100 CO 0.03 1.51 -0.11 0.25 0.09 0.00 0.00 178.44 180.21 1y0d h LEU 101 N 0.41 0.41 -0.35 1.67 5.85 -1.25 -2.20 115.31 119.84 1y0d h LEU 101 Ca -0.12 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.24 1y0d h LEU 101 Cb 1.64 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 42.47 1y0d h LEU 101 CO 0.20 0.75 -0.35 0.28 -0.34 0.00 0.00 178.44 178.98 1y0d h SER 102 N 0.06 -1.14 -0.51 1.25 0.02 -1.32 0.21 113.55 112.13 1y0d h SER 102 Ca 0.04 0.19 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 1y0d h SER 102 Cb 0.61 0.52 -0.07 0.00 0.14 0.00 0.00 62.40 63.60 1y0d h SER 102 CO 0.03 -0.34 0.13 -0.74 -1.14 0.00 0.00 176.83 174.77 1y0d h HIS 103 N -0.29 0.22 0.00 3.45 -0.00 -1.35 -0.73 115.15 116.45 1y0d h HIS 103 Ca 0.15 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 1y0d h HIS 103 Cb 0.55 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1y0d h HIS 103 CO -0.53 0.03 -0.37 0.00 -0.00 0.00 0.00 177.93 177.06 1y0d h LEU 105 N 0.00 1.00 -0.60 0.00 5.85 0.45 -2.36 115.31 119.65 1y0d h LEU 105 Ca -0.00 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1y0d h LEU 105 Cb 0.74 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1y0d h LEU 105 CO 0.05 1.20 0.30 -0.07 -0.34 0.00 0.00 178.44 179.58 1y0d h LEU 106 N 0.81 0.77 -0.23 2.25 3.38 -0.89 -1.74 115.31 119.66 1y0d h LEU 106 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1y0d h LEU 106 Cb 0.84 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1y0d h LEU 106 CO 0.07 0.68 0.11 0.58 0.09 0.00 0.00 178.44 179.97 1y0d h VAL 107 N 0.82 1.14 -0.40 1.22 2.07 -1.28 -1.32 116.25 118.50 1y0d h VAL 107 Ca 0.21 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1y0d h VAL 107 Cb 0.10 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1y0d h VAL 107 CO -0.03 0.14 0.26 0.74 0.02 0.00 0.00 177.57 178.70 1y0d h THR 108 N 0.24 1.09 -0.30 2.57 2.02 -1.31 -0.85 112.91 116.37 1y0d h THR 108 Ca 0.08 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1y0d h THR 108 Cb 0.12 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1y0d h THR 108 CO -0.01 0.10 0.08 -0.07 0.37 0.00 0.00 175.52 175.98 1y0d h LEU 109 N 0.53 0.45 -0.64 2.58 3.38 -1.23 -1.59 115.31 118.78 1y0d h LEU 109 Ca 0.15 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1y0d h LEU 109 Cb -0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 1y0d h LEU 109 CO -0.04 0.56 0.31 0.00 0.09 0.00 0.00 178.44 179.36 1y0d h ALA 110 N 0.91 0.85 0.00 1.53 0.00 -1.04 0.23 119.26 121.74 1y0d h ALA 110 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1y0d h ALA 110 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y0d h ALA 110 CO -0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 179.25 179.09 1y0d h ALA 111 N 1.38 1.03 0.00 0.00 0.00 -0.82 -3.30 119.26 117.56 1y0d h ALA 111 Ca 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1y0d h ALA 111 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1y0d h ALA 111 CO -0.24 0.10 -1.61 0.72 0.00 0.00 0.00 179.25 178.21 1y0d n HIS 112 N -3.23 0.00 -3.13 0.00 -0.00 -0.49 -4.76 115.22 103.61 1y0d n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1y0d n HIS 112 Cb 0.32 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1y0d n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y0d n LEU 113 N -1.99 3.61 -0.25 2.41 4.77 0.70 -4.95 117.00 121.29 1y0d n LEU 113 Ca -0.04 -5.48 0.04 0.00 -0.03 0.00 0.00 56.01 50.50 1y0d n LEU 113 Cb 0.39 -0.38 0.17 0.00 -2.33 0.00 0.00 43.42 41.27 1y0d n LEU 113 CO 0.27 2.24 1.02 1.55 -1.33 0.00 0.00 177.39 181.15 1y0d h PRO 114 N 3.41 0.46 -0.04 3.23 0.13 -1.81 0.09 132.00 137.46 1y0d h PRO 114 Ca 0.14 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 65.03 1y0d h PRO 114 Cb 0.62 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1y0d h PRO 114 CO 0.77 0.30 -0.86 0.00 -0.23 0.00 0.00 178.00 177.98 1y0d h ALA 115 N 1.52 0.43 0.00 -0.56 0.00 -1.93 -3.29 119.26 115.43 1y0d h ALA 115 Ca 0.40 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1y0d h ALA 115 Cb 0.56 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1y0d h ALA 115 CO -0.37 0.78 -0.81 1.05 0.00 0.00 0.00 179.25 179.90 1y0d h GLU 116 N 0.28 0.00 -3.39 0.00 9.09 -1.90 -3.40 114.58 115.25 1y0d h GLU 116 Ca -0.06 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.80 1y0d h GLU 116 Cb 1.48 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.60 1y0d h GLU 116 CO 0.15 0.13 3.15 0.34 0.05 0.00 0.00 179.01 182.83 1y0d n PHE 117 N -2.89 2.03 -2.11 2.06 7.35 -0.01 -4.69 117.46 119.20 1y0d n PHE 117 Ca -0.01 -2.51 -0.27 0.00 -0.76 0.00 0.00 57.45 53.90 1y0d n PHE 117 Cb 0.63 -2.09 0.07 0.00 0.35 0.00 0.00 39.48 38.44 1y0d n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0d s THR 118 N 3.01 2.53 0.22 -2.13 -4.23 -1.26 -4.79 115.64 108.98 1y0d s THR 118 Ca 0.54 -0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 1y0d s THR 118 Cb 0.14 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 71.02 1y0d s THR 118 CO -0.04 -0.14 1.77 -0.65 -0.54 0.00 0.00 174.62 175.02 1y0d h PRO 119 N -0.67 0.51 -0.62 3.99 0.11 -1.99 0.27 132.00 133.60 1y0d h PRO 119 Ca -0.45 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1y0d h PRO 119 Cb 1.30 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1y0d h PRO 119 CO 0.62 0.34 0.07 0.00 -0.21 0.00 0.00 178.00 178.81 1y0d h ALA 120 N 1.42 0.83 -0.30 -0.75 0.00 -1.95 -1.72 119.26 116.79 1y0d h ALA 120 Ca 0.33 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1y0d h ALA 120 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1y0d h ALA 120 CO -0.28 0.62 -0.38 0.28 0.00 0.00 0.00 179.25 179.49 1y0d h VAL 121 N 0.96 1.29 -0.36 0.00 2.07 -1.56 -2.29 116.25 116.37 1y0d h VAL 121 Ca 0.18 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.20 1y0d h VAL 121 Cb 0.48 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1y0d h VAL 121 CO 0.02 0.51 0.00 -0.74 0.02 0.00 0.00 177.57 177.38 1y0d h HIS 122 N 0.55 -0.02 -0.23 1.57 6.17 -0.37 -1.13 115.15 121.69 1y0d h HIS 122 Ca 0.04 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1y0d h HIS 122 Cb 0.97 0.06 -0.01 0.00 2.52 0.00 0.00 27.41 30.95 1y0d h HIS 122 CO 0.07 -0.07 0.15 0.00 0.71 0.00 0.00 177.93 178.79 1y0d h ALA 123 N 1.31 0.29 -0.63 5.26 0.00 -1.27 -1.24 119.26 122.99 1y0d h ALA 123 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1y0d h ALA 123 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1y0d h ALA 123 CO -0.29 -0.22 0.35 0.77 0.00 0.00 0.00 179.25 179.86 1y0d h SER 124 N 0.30 0.78 -0.08 0.00 0.02 -0.99 -2.05 113.55 111.53 1y0d h SER 124 Ca 0.08 -0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.80 1y0d h SER 124 Cb -0.02 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1y0d h SER 124 CO -0.02 0.64 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.81 1y0d h LEU 125 N 0.86 0.66 -0.15 5.07 3.38 -1.13 -1.48 115.31 122.53 1y0d h LEU 125 Ca 0.22 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1y0d h LEU 125 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1y0d h LEU 125 CO -0.04 1.01 0.03 -0.78 0.09 0.00 0.00 178.44 178.75 1y0d h ASP 126 N 0.50 0.22 -0.50 -0.43 3.58 -1.03 -0.38 116.42 118.38 1y0d h ASP 126 Ca 0.04 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 1y0d h ASP 126 Cb 0.96 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.92 1y0d h ASP 126 CO 0.09 0.40 0.23 0.11 -2.88 0.00 0.00 179.24 177.19 1y0d h LYS 127 N 0.03 0.77 0.14 0.28 1.57 -1.29 -1.78 116.57 116.30 1y0d h LYS 127 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1y0d h LYS 127 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1y0d h LYS 127 CO 0.00 0.63 -0.07 0.35 -0.57 0.00 0.00 179.45 179.79 1y0d h PHE 128 N 0.77 -0.18 -0.22 -1.35 3.57 -0.93 -1.90 116.94 116.70 1y0d h PHE 128 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1y0d h PHE 128 Cb 0.13 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1y0d h PHE 128 CO 0.01 0.06 0.02 -0.07 -2.23 0.00 0.00 178.31 176.10 1y0d h LEU 129 N -0.39 0.29 -0.61 0.59 3.38 -0.90 -1.08 115.31 116.59 1y0d h LEU 129 Ca -0.02 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1y0d h LEU 129 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1y0d h LEU 129 CO 0.03 0.33 0.05 0.00 0.09 0.00 0.00 178.44 178.94 1y0d h ALA 130 N 1.71 0.81 -0.31 1.53 0.00 -1.17 -0.06 119.26 121.77 1y0d h ALA 130 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1y0d h ALA 130 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1y0d h ALA 130 CO 0.00 0.61 0.03 0.77 0.00 0.00 0.00 179.25 180.67 1y0d h SER 131 N 0.94 0.51 -0.39 0.00 0.02 -0.68 -0.87 113.55 113.09 1y0d h SER 131 Ca 0.18 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1y0d h SER 131 Cb 0.50 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1y0d h SER 131 CO 0.02 0.66 0.21 0.58 -1.14 0.00 0.00 176.83 177.16 1y0d h VAL 132 N 0.34 1.15 -0.69 2.27 2.07 -1.08 -1.72 116.25 118.59 1y0d h VAL 132 Ca 0.09 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1y0d h VAL 132 Cb 0.38 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1y0d h VAL 132 CO 0.01 0.16 0.41 0.28 0.02 0.00 0.00 177.57 178.45 1y0d h SER 133 N 0.49 0.65 -0.80 0.57 0.02 -0.87 -0.86 113.55 112.76 1y0d h SER 133 Ca 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1y0d h SER 133 Cb 0.07 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 1y0d h SER 133 CO -0.02 0.44 0.51 0.74 -1.14 0.00 0.00 176.83 177.36 1y0d h THR 134 N 0.79 1.22 0.11 -2.27 2.02 -0.96 -2.34 112.91 111.47 1y0d h THR 134 Ca 0.29 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1y0d h THR 134 Cb 0.09 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1y0d h THR 134 CO -0.14 0.22 -0.05 0.58 0.37 0.00 0.00 175.52 176.50 1y0d h VAL 135 N 1.09 1.02 -0.00 3.16 2.07 -0.82 -1.79 116.25 120.99 1y0d h VAL 135 Ca 0.29 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1y0d h VAL 135 Cb -0.08 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1y0d h VAL 135 CO -0.06 0.12 0.02 -0.07 0.02 0.00 0.00 177.57 177.60 1y0d h LEU 136 N -0.39 0.00 -2.13 2.57 3.38 -0.85 -1.65 115.31 116.25 1y0d h LEU 136 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1y0d h LEU 136 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1y0d h LEU 136 CO 0.03 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.97 1y0d n THR 137 N -3.16 0.48 0.16 0.22 -1.04 -0.91 -4.46 114.28 105.56 1y0d n THR 137 Ca -0.03 -0.74 0.03 0.00 -2.04 0.00 0.00 64.05 61.27 1y0d n THR 137 Cb 0.09 0.88 0.41 0.00 -1.82 0.00 0.00 70.33 69.89 1y0d n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y0d h SER 138 N 2.06 0.13 -0.68 8.00 4.64 -0.38 -3.13 113.55 124.20 1y0d h SER 138 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1y0d h SER 138 Cb 0.58 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1y0d h SER 138 CO 0.00 0.33 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 1y0d n LYS 139 N -4.26 3.51 0.00 4.77 5.02 -1.26 -5.11 118.16 120.82 1y0d n LYS 139 Ca -0.01 -2.85 0.07 0.00 -2.02 0.00 0.00 58.31 53.50 1y0d n LYS 139 Cb 0.28 -1.82 0.40 0.00 -0.02 0.00 0.00 35.03 33.87 1y0d n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54