#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8h s LEU 2 N 0.00 4.15 0.00 1.34 1.43 -1.26 -5.06 118.68 119.28 1y8h s LEU 2 Ca 0.00 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.79 1y8h s LEU 2 Cb 0.00 -2.85 0.17 0.00 0.03 0.00 0.00 46.19 43.54 1y8h s LEU 2 CO 0.00 -0.25 0.60 -0.24 0.23 0.00 0.00 176.35 176.69 1y8h n SER 3 N 4.97 -1.62 -0.03 2.29 2.88 -1.26 -4.87 113.62 115.99 1y8h n SER 3 Ca -0.02 -0.86 -0.15 0.00 -1.33 0.00 0.00 58.87 56.50 1y8h n SER 3 Cb 0.50 -0.55 -0.09 0.00 -0.75 0.00 0.00 64.21 63.31 1y8h n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y8h h ALA 4 N -2.41 0.13 0.00 -1.46 0.00 -2.01 -3.10 119.26 110.42 1y8h h ALA 4 Ca -0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1y8h h ALA 4 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1y8h h ALA 4 CO 0.15 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1y8h n ALA 5 N -2.52 2.28 -0.00 0.00 0.00 -1.26 -2.94 120.51 116.06 1y8h n ALA 5 Ca -0.09 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 1y8h n ALA 5 Cb 0.54 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1y8h n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1y8h h ASP 6 N 0.00 0.48 0.02 0.00 3.32 -1.92 -2.31 116.42 116.00 1y8h h ASP 6 Ca 0.00 -0.77 0.03 0.00 0.02 0.00 0.00 57.03 56.31 1y8h h ASP 6 Cb 0.64 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1y8h h ASP 6 CO 0.00 1.18 -0.27 0.11 -1.72 0.00 0.00 179.24 178.54 1y8h h LYS 7 N -0.18 -0.42 -0.59 3.56 1.57 -1.46 -0.38 116.57 118.68 1y8h h LYS 7 Ca -0.07 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1y8h h LYS 7 Cb 1.27 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 33.62 1y8h h LYS 7 CO 0.11 -0.28 0.29 1.79 -0.57 0.00 0.00 179.45 180.79 1y8h h THR 8 N -0.43 0.91 -0.14 -0.16 1.35 -1.59 -0.22 112.91 112.62 1y8h h THR 8 Ca 0.06 -0.18 0.03 0.00 -0.55 0.00 0.00 66.41 65.77 1y8h h THR 8 Cb 0.51 0.33 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 1y8h h THR 8 CO -0.22 0.10 -0.08 0.78 -0.25 0.00 0.00 175.52 175.85 1y8h h ASN 9 N 0.53 -0.25 0.52 5.36 -0.26 -0.93 -1.74 115.58 118.81 1y8h h ASN 9 Ca 0.27 0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 56.05 1y8h h ASN 9 Cb 0.22 0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1y8h h ASN 9 CO -0.21 -0.10 -0.34 0.58 -1.06 0.00 0.00 177.43 176.30 1y8h h VAL 10 N -0.07 0.00 -0.92 2.81 2.07 -0.44 0.19 116.25 119.88 1y8h h VAL 10 Ca 0.08 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.86 1y8h h VAL 10 Cb 0.19 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.82 1y8h h VAL 10 CO -0.19 0.00 0.37 0.11 0.02 0.00 0.00 177.57 177.89 1y8h h LYS 11 N -0.81 0.29 -0.10 1.57 1.57 -0.99 -0.15 116.57 117.94 1y8h h LYS 11 Ca -0.07 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.47 1y8h h LYS 11 Cb 0.66 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1y8h h LYS 11 CO 0.06 0.19 -0.82 0.00 -0.57 0.00 0.00 179.45 178.31 1y8h h ALA 12 N 1.78 0.35 -0.45 3.86 0.00 -1.16 -3.05 119.26 120.59 1y8h h ALA 12 Ca 0.61 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1y8h h ALA 12 Cb 1.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1y8h h ALA 12 CO -0.61 0.71 -0.08 0.00 0.00 0.00 0.00 179.25 179.27 1y8h h ALA 13 N 0.63 1.00 0.00 0.00 0.00 0.11 -2.64 119.26 118.36 1y8h h ALA 13 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y8h h ALA 13 Cb 1.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y8h h ALA 13 CO 0.16 0.60 0.00 1.87 0.00 0.00 0.00 179.25 181.88 1y8h n TRP 14 N -4.17 0.62 0.13 0.00 -0.00 -0.38 -2.46 117.44 111.16 1y8h n TRP 14 Ca 0.02 0.20 0.04 0.00 -0.00 0.00 0.00 57.50 57.76 1y8h n TRP 14 Cb 0.35 -0.83 0.02 0.00 -0.00 0.00 0.00 31.31 30.85 1y8h n TRP 14 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1y8h h SER 15 N 0.00 0.00 0.99 5.87 4.64 -1.35 -2.81 113.55 120.89 1y8h h SER 15 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1y8h h SER 15 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1y8h h SER 15 CO 0.00 0.39 -0.83 0.11 -0.87 0.00 0.00 176.83 175.63 1y8h h LYS 16 N 0.00 0.00 -0.60 4.77 1.57 -1.42 -2.90 116.57 117.99 1y8h h LYS 16 Ca -0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1y8h h LYS 16 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.61 1y8h h LYS 16 CO 0.04 0.83 0.16 0.28 -0.57 0.00 0.00 179.45 180.20 1y8h h VAL 17 N 0.00 1.25 0.00 0.50 2.07 -1.44 -3.46 116.25 115.17 1y8h h VAL 17 Ca -0.01 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1y8h h VAL 17 Cb 1.55 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1y8h h VAL 17 CO 0.11 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.64 1y8h n GLY 18 N -0.66 2.44 1.16 2.17 0.00 -1.07 -2.68 105.19 106.55 1y8h n GLY 18 Ca 0.03 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1y8h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8h n GLY 19 N 0.00 3.11 0.95 -0.02 0.00 -1.26 -4.32 105.19 103.64 1y8h n GLY 19 Ca 0.00 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.36 1y8h n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y8h n HIS 20 N 0.52 0.12 -0.21 1.61 8.25 -1.09 -4.40 115.22 120.02 1y8h n HIS 20 Ca 0.21 -0.06 -0.04 0.00 -0.26 0.00 0.00 57.72 57.57 1y8h n HIS 20 Cb 0.78 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.90 1y8h n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y8h h ALA 21 N 4.62 0.03 -0.29 -1.41 0.00 -1.76 0.15 119.26 120.59 1y8h h ALA 21 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1y8h h ALA 21 Cb 0.93 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.40 1y8h h ALA 21 CO 0.00 -0.64 -0.20 0.78 0.00 0.00 0.00 179.25 179.20 1y8h h GLY 22 N -0.14 -0.01 0.37 0.00 0.00 -1.87 -0.87 103.07 100.54 1y8h h GLY 22 Ca 0.25 0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.91 1y8h h GLY 22 CO -0.68 -0.19 0.14 0.83 0.00 0.00 0.00 176.54 176.64 1y8h h GLU 23 N -0.17 0.28 -0.58 4.80 5.08 -1.27 -2.73 114.58 119.99 1y8h h GLU 23 Ca 0.16 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1y8h h GLU 23 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1y8h h GLU 23 CO -0.40 0.18 -0.01 1.88 -1.00 0.00 0.00 179.01 179.67 1y8h h TYR 24 N 0.29 1.14 0.00 4.33 0.05 -0.16 -2.29 116.97 120.32 1y8h h TYR 24 Ca 0.27 -0.20 -0.05 0.00 0.05 0.00 0.00 58.73 58.79 1y8h h TYR 24 Cb 0.35 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1y8h h TYR 24 CO -0.21 1.01 -0.26 0.78 -1.05 0.00 0.00 178.16 178.43 1y8h h GLY 25 N 0.93 0.00 0.90 3.88 0.00 -1.04 0.21 103.07 107.96 1y8h h GLY 25 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.37 1y8h h GLY 25 CO 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.22 1y8h h ALA 26 N 1.74 0.30 0.00 3.60 0.00 -1.17 -2.14 119.26 121.60 1y8h h ALA 26 Ca -0.00 -0.43 -0.18 0.00 0.00 0.00 0.00 54.91 54.30 1y8h h ALA 26 Cb 0.52 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1y8h h ALA 26 CO 0.03 0.37 -0.84 1.49 0.00 0.00 0.00 179.25 180.31 1y8h h GLU 27 N 0.25 0.01 -0.25 0.00 4.81 -1.09 -2.18 114.58 116.14 1y8h h GLU 27 Ca 0.01 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 1y8h h GLU 27 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1y8h h GLU 27 CO 0.08 0.84 -0.32 0.00 -0.73 0.00 0.00 179.01 178.88 1y8h h ALA 28 N 1.15 0.99 0.00 2.92 0.00 -0.60 -2.22 119.26 121.51 1y8h h ALA 28 Ca -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1y8h h ALA 28 Cb 1.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1y8h h ALA 28 CO 0.11 0.60 -0.00 -0.07 0.00 0.00 0.00 179.25 179.89 1y8h h LEU 29 N 0.44 -0.00 -1.39 0.00 3.38 -1.25 -2.91 115.31 113.57 1y8h h LEU 29 Ca 0.05 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1y8h h LEU 29 Cb 0.78 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1y8h h LEU 29 CO 0.06 0.36 0.51 -0.08 0.09 0.00 0.00 178.44 179.38 1y8h h GLU 30 N -0.36 0.65 -0.39 1.13 4.81 -1.26 -1.09 114.58 118.06 1y8h h GLU 30 Ca -0.00 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1y8h h GLU 30 Cb 0.36 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1y8h h GLU 30 CO 0.00 0.43 -0.19 0.00 -0.73 0.00 0.00 179.01 178.52 1y8h h ARG 31 N 0.67 0.74 -0.31 1.92 3.08 -1.33 -3.03 114.38 116.12 1y8h h ARG 31 Ca 0.36 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1y8h h ARG 31 Cb 0.51 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1y8h h ARG 31 CO -0.14 0.88 -0.45 1.98 -1.07 0.00 0.00 179.97 181.17 1y8h h MET 32 N 0.66 0.85 0.00 0.04 4.05 -1.05 -1.66 114.93 117.82 1y8h h MET 32 Ca 0.10 -0.50 -0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1y8h h MET 32 Cb 0.68 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.52 1y8h h MET 32 CO 0.05 1.14 -0.02 0.74 0.23 0.00 0.00 176.91 179.05 1y8h h PHE 33 N 0.64 0.00 0.00 1.39 -1.00 -1.19 -0.47 116.94 116.31 1y8h h PHE 33 Ca 0.03 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.44 1y8h h PHE 33 Cb 1.05 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.54 1y8h h PHE 33 CO 0.07 0.02 -2.37 1.28 -1.61 0.00 0.00 178.31 175.70 1y8h n LEU 34 N -3.17 1.01 0.02 1.54 4.77 -1.15 -4.19 117.00 115.84 1y8h n LEU 34 Ca -0.01 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 1y8h n LEU 34 Cb 0.19 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.16 1y8h n LEU 34 CO 0.24 0.64 -0.32 1.23 -1.33 0.00 0.00 177.39 177.85 1y8h h GLY 35 N 3.30 0.09 -6.30 -0.72 0.00 -1.21 -3.40 103.07 94.82 1y8h h GLY 35 Ca -0.54 -0.22 -0.59 0.00 0.00 0.00 0.00 47.33 45.97 1y8h h GLY 35 CO -0.00 0.20 -0.80 0.69 0.00 0.00 0.00 176.54 176.62 1y8h n PHE 36 N -3.25 1.72 -0.03 5.60 3.01 -0.19 -4.96 117.46 119.36 1y8h n PHE 36 Ca -0.13 -3.88 0.24 0.00 1.01 0.00 0.00 57.45 54.68 1y8h n PHE 36 Cb 1.02 -0.40 0.64 0.00 -0.01 0.00 0.00 39.48 40.73 1y8h n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y8h h PRO 37 N 4.51 0.00 0.00 -1.08 0.11 -1.74 -1.20 132.00 132.60 1y8h h PRO 37 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1y8h h PRO 37 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1y8h h PRO 37 CO 0.64 0.00 0.07 1.15 -0.21 0.00 0.00 178.00 179.64 1y8h h THR 38 N 0.00 0.00 0.00 -1.15 2.02 -1.92 -1.71 112.91 110.16 1y8h h THR 38 Ca 0.31 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 1y8h h THR 38 Cb 1.80 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1y8h h THR 38 CO -0.00 0.00 -0.39 0.71 0.37 0.00 0.00 175.52 176.21 1y8h h THR 39 N 0.00 0.09 0.00 3.16 1.35 -1.55 -3.25 112.91 112.72 1y8h h THR 39 Ca 0.00 -1.14 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1y8h h THR 39 Cb 0.13 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1y8h h THR 39 CO 0.00 0.05 0.00 0.29 -0.25 0.00 0.00 175.52 175.61 1y8h n LYS 40 N -2.98 0.10 -0.05 4.72 5.02 -0.64 -1.81 118.16 122.52 1y8h n LYS 40 Ca 0.02 0.16 -0.15 0.00 -2.02 0.00 0.00 58.31 56.32 1y8h n LYS 40 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 1y8h n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1y8h h THR 41 N 0.00 1.28 0.00 -0.18 2.02 -1.75 -2.97 112.91 111.31 1y8h h THR 41 Ca 0.00 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1y8h h THR 41 Cb 0.03 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1y8h h THR 41 CO 0.00 0.59 0.00 -1.22 0.37 0.00 0.00 175.52 175.26 1y8h n TYR 42 N -3.97 0.00 -3.23 3.16 4.02 -0.75 -4.14 117.16 112.24 1y8h n TYR 42 Ca -0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.59 1y8h n TYR 42 Cb 0.67 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.93 1y8h n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1y8h n PHE 43 N -0.90 0.76 0.12 -0.72 3.72 -1.12 -4.91 117.46 114.41 1y8h n PHE 43 Ca 0.19 -3.74 0.04 0.00 -0.05 0.00 0.00 57.45 53.89 1y8h n PHE 43 Cb 0.09 -0.41 0.01 0.00 -0.94 0.00 0.00 39.48 38.23 1y8h n PHE 43 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y8h h PRO 44 N 3.91 0.00 -0.01 -1.08 0.11 -1.72 -3.30 132.00 129.91 1y8h h PRO 44 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1y8h h PRO 44 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1y8h h PRO 44 CO 0.56 0.32 -0.13 -2.39 -0.21 0.00 0.00 178.00 176.16 1y8h n HIS 45 N -3.06 0.00 -3.37 0.65 1.44 -1.26 -4.92 115.22 104.70 1y8h n HIS 45 Ca -0.01 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.48 1y8h n HIS 45 Cb 0.71 -0.10 -0.00 0.00 0.12 0.00 0.00 29.99 30.72 1y8h n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y8h s PHE 46 N -2.34 3.30 -0.43 -1.40 0.40 -1.25 -5.07 117.98 111.21 1y8h s PHE 46 Ca 0.31 0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 56.59 1y8h s PHE 46 Cb 0.20 -2.00 0.03 0.00 0.51 0.00 0.00 43.02 41.76 1y8h s PHE 46 CO 0.45 -0.02 0.32 0.34 0.70 0.00 0.00 175.22 177.02 1y8h s ASP 47 N -4.12 6.12 -0.06 1.36 2.15 -1.26 -4.94 116.67 115.92 1y8h s ASP 47 Ca 0.43 -1.01 0.13 0.00 0.43 0.00 0.00 52.55 52.53 1y8h s ASP 47 Cb -0.10 -2.17 0.47 0.00 -0.30 0.00 0.00 42.92 40.83 1y8h s ASP 47 CO 0.34 -0.50 1.34 0.18 -0.17 0.00 0.00 175.17 176.36 1y8h n LEU 48 N 5.17 3.16 -4.70 -1.34 4.32 -1.26 -4.57 117.00 117.78 1y8h n LEU 48 Ca -0.11 -1.59 -0.33 0.00 -0.02 0.00 0.00 56.01 53.96 1y8h n LEU 48 Cb 0.46 -0.44 0.13 0.00 -1.62 0.00 0.00 43.42 41.95 1y8h n LEU 48 CO 0.43 0.59 0.75 -0.94 -1.22 0.00 0.00 177.39 176.99 1y8h s SER 49 N -0.81 3.64 0.26 -1.43 1.04 -1.26 -4.91 113.70 110.23 1y8h s SER 49 Ca 0.34 2.28 -0.02 0.00 0.48 0.00 0.00 55.95 59.02 1y8h s SER 49 Cb 0.21 -2.58 0.52 0.00 0.10 0.00 0.00 66.02 64.27 1y8h s SER 49 CO 0.18 -2.63 1.72 0.45 0.98 0.00 0.00 173.24 173.93 1y8h h HIS 50 N -1.00 0.52 -0.54 5.02 3.86 -2.03 -2.01 115.15 118.97 1y8h h HIS 50 Ca -0.46 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1y8h h HIS 50 Cb 1.28 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1y8h h HIS 50 CO 0.48 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.71 1y8h n GLY 51 N -1.33 2.56 3.72 2.45 0.00 -1.26 -5.00 105.19 106.32 1y8h n GLY 51 Ca 0.16 -0.77 -0.61 0.00 0.00 0.00 0.00 46.02 44.80 1y8h n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y8h n SER 52 N 0.79 1.95 0.00 1.61 2.88 -0.76 -4.83 113.62 115.27 1y8h n SER 52 Ca 0.23 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 59.01 1y8h n SER 52 Cb 0.92 -1.05 0.65 0.00 -0.75 0.00 0.00 64.21 63.97 1y8h n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y8h n ALA 53 N 4.82 2.30 0.09 -1.46 0.00 -1.26 -2.54 120.51 122.45 1y8h n ALA 53 Ca 0.28 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1y8h n ALA 53 Cb 0.07 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 17.95 1y8h n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1y8h h GLN 54 N 0.00 0.42 -0.21 0.00 4.15 -1.88 -2.72 115.11 114.87 1y8h h GLN 54 Ca 0.00 -0.72 -0.11 0.00 0.77 0.00 0.00 58.65 58.59 1y8h h GLN 54 Cb 0.24 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1y8h h GLN 54 CO 0.00 1.34 -0.28 0.28 -1.93 0.00 0.00 178.83 178.24 1y8h h VAL 55 N 0.12 1.33 -0.95 2.39 2.07 -1.76 -0.10 116.25 119.35 1y8h h VAL 55 Ca -0.32 -1.48 0.07 0.00 0.82 0.00 0.00 66.70 65.79 1y8h h VAL 55 Cb 2.11 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 33.60 1y8h h VAL 55 CO 0.20 0.46 0.61 0.11 0.02 0.00 0.00 177.57 178.97 1y8h h LYS 56 N 0.25 1.07 0.05 1.57 1.57 -1.62 0.77 116.57 120.23 1y8h h LYS 56 Ca 0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1y8h h LYS 56 Cb 0.86 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1y8h h LYS 56 CO 0.07 0.70 -0.03 0.00 -0.57 0.00 0.00 179.45 179.63 1y8h h ALA 57 N 1.44 -0.07 -0.46 3.86 0.00 -1.23 -2.74 119.26 120.07 1y8h h ALA 57 Ca 0.42 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1y8h h ALA 57 Cb 0.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1y8h h ALA 57 CO -0.18 -0.48 -0.14 1.25 0.00 0.00 0.00 179.25 179.70 1y8h h HIS 58 N -0.18 1.02 -0.70 0.00 -0.00 -0.37 -2.94 115.15 111.98 1y8h h HIS 58 Ca -0.01 -0.23 0.14 0.00 -0.00 0.00 0.00 60.37 60.28 1y8h h HIS 58 Cb 0.16 -0.24 -0.13 0.00 -0.00 0.00 0.00 27.41 27.19 1y8h h HIS 58 CO -0.04 1.01 -0.14 0.78 -0.00 0.00 0.00 177.93 179.54 1y8h h GLY 59 N 0.74 0.56 0.46 5.26 0.00 0.61 0.28 103.07 110.98 1y8h h GLY 59 Ca 0.11 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.69 1y8h h GLY 59 CO 0.05 -0.27 -0.11 1.70 0.00 0.00 0.00 176.54 177.92 1y8h h LYS 60 N 0.02 -0.08 -0.71 4.80 1.63 -1.34 0.17 116.57 121.07 1y8h h LYS 60 Ca 0.35 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.31 1y8h h LYS 60 Cb 0.55 0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 32.07 1y8h h LYS 60 CO -0.70 -0.05 -0.00 -0.22 -3.45 0.00 0.00 179.45 175.02 1y8h h LYS 61 N -0.08 0.10 -0.09 1.90 1.63 -0.35 -1.04 116.57 118.64 1y8h h LYS 61 Ca 0.11 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1y8h h LYS 61 Cb 0.26 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 1y8h h LYS 61 CO -0.26 0.07 -0.03 0.28 -3.45 0.00 0.00 179.45 176.05 1y8h h VAL 62 N 0.10 1.31 -0.53 2.00 2.07 0.05 -2.81 116.25 118.44 1y8h h VAL 62 Ca 0.38 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1y8h h VAL 62 Cb 0.64 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1y8h h VAL 62 CO -0.62 0.28 0.26 1.23 0.02 0.00 0.00 177.57 178.75 1y8h h GLY 63 N -0.18 0.75 1.13 2.17 0.00 -0.11 -2.56 103.07 104.27 1y8h h GLY 63 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1y8h h GLY 63 CO 0.01 0.10 0.48 -0.55 0.00 0.00 0.00 176.54 176.59 1y8h h ASP 64 N 0.51 1.02 -0.83 0.19 3.32 -1.24 -2.16 116.42 117.22 1y8h h ASP 64 Ca 0.24 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1y8h h ASP 64 Cb 0.16 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1y8h h ASP 64 CO -0.17 0.80 0.44 0.00 -1.72 0.00 0.00 179.24 178.58 1y8h h ALA 65 N 1.37 1.06 0.24 3.45 0.00 -1.20 -1.45 119.26 122.74 1y8h h ALA 65 Ca 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1y8h h ALA 65 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1y8h h ALA 65 CO -0.05 0.59 -0.12 -0.07 0.00 0.00 0.00 179.25 179.60 1y8h h LEU 66 N 1.16 -0.27 -2.03 0.00 3.38 -1.03 -1.80 115.31 114.71 1y8h h LEU 66 Ca 0.29 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.29 1y8h h LEU 66 Cb 0.05 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1y8h h LEU 66 CO -0.04 -0.06 0.36 0.74 0.09 0.00 0.00 178.44 179.52 1y8h h THR 67 N -0.48 0.64 -0.18 0.22 2.02 -1.24 0.74 112.91 114.62 1y8h h THR 67 Ca -0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1y8h h THR 67 Cb 0.36 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1y8h h THR 67 CO 0.05 0.00 -0.04 0.25 0.37 0.00 0.00 175.52 176.15 1y8h h LEU 68 N 0.00 0.36 -1.29 2.58 7.12 -0.57 -3.14 115.31 120.37 1y8h h LEU 68 Ca 0.21 -0.37 -0.06 0.00 0.13 0.00 0.00 57.88 57.80 1y8h h LEU 68 Cb 0.92 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 1y8h h LEU 68 CO -0.00 0.64 -0.28 0.00 -0.13 0.00 0.00 178.44 178.67 1y8h h ALA 69 N 0.73 1.15 0.00 1.25 0.00 -0.09 -2.65 119.26 119.64 1y8h h ALA 69 Ca 0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1y8h h ALA 69 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1y8h h ALA 69 CO 0.02 0.35 -0.30 0.28 0.00 0.00 0.00 179.25 179.60 1y8h h VAL 70 N 0.00 0.96 -0.17 0.00 2.07 -1.20 -2.35 116.25 115.56 1y8h h VAL 70 Ca -0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1y8h h VAL 70 Cb 0.68 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1y8h h VAL 70 CO 0.04 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1y8h n GLY 71 N -0.32 0.51 2.71 2.17 0.00 -1.00 -4.23 105.19 105.04 1y8h n GLY 71 Ca -0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 1y8h n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y8h n HIS 72 N 0.55 0.11 0.20 1.61 -0.00 -0.91 -4.94 115.22 111.84 1y8h n HIS 72 Ca 0.17 -2.34 0.04 0.00 -0.00 0.00 0.00 57.72 55.59 1y8h n HIS 72 Cb 0.39 0.26 0.46 0.00 -0.00 0.00 0.00 29.99 31.11 1y8h n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1y8h h LEU 73 N 2.49 0.05 -0.48 2.41 4.07 -1.67 -2.62 115.31 119.57 1y8h h LEU 73 Ca -0.18 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1y8h h LEU 73 Cb 1.24 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1y8h h LEU 73 CO 0.23 0.24 0.00 0.47 -1.08 0.00 0.00 178.44 178.31 1y8h n ASP 74 N -4.29 0.37 0.00 -0.43 9.92 -1.26 -3.85 116.55 117.00 1y8h n ASP 74 Ca -0.02 -1.55 0.00 0.00 -0.53 0.00 0.00 54.79 52.69 1y8h n ASP 74 Cb 0.26 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1y8h n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1y8h n ASP 75 N -0.21 0.00 0.18 -2.24 2.03 -1.00 -5.03 116.55 110.28 1y8h n ASP 75 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1y8h n ASP 75 Cb 0.09 0.00 0.38 0.00 -0.72 0.00 0.00 41.12 40.88 1y8h n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1y8h h LEU 76 N 0.00 0.06 -1.49 -2.67 3.38 -1.63 -2.42 115.31 110.53 1y8h h LEU 76 Ca 0.00 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1y8h h LEU 76 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1y8h h LEU 76 CO 0.00 0.35 -0.22 -0.65 0.09 0.00 0.00 178.44 178.01 1y8h h PRO 77 N 0.05 0.00 0.06 1.13 0.11 -1.93 -2.00 132.00 129.42 1y8h h PRO 77 Ca 0.01 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.86 1y8h h PRO 77 Cb 0.55 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1y8h h PRO 77 CO 0.04 0.22 -1.27 0.78 -0.21 0.00 0.00 178.00 177.56 1y8h h GLY 78 N 1.31 0.14 0.95 -0.55 0.00 -1.83 -3.18 103.07 99.92 1y8h h GLY 78 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1y8h h GLY 78 CO 0.03 0.32 -1.11 0.00 0.00 0.00 0.00 176.54 175.78 1y8h n ALA 79 N -2.49 2.44 0.21 3.60 0.00 -1.09 -4.17 120.51 119.02 1y8h n ALA 79 Ca -0.08 -0.29 0.06 0.00 0.00 0.00 0.00 53.44 53.13 1y8h n ALA 79 Cb 1.00 -1.07 0.10 0.00 0.00 0.00 0.00 19.45 19.48 1y8h n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y8h n LEU 80 N -2.69 2.48 -0.34 0.00 4.77 -0.77 -4.73 117.00 115.72 1y8h n LEU 80 Ca -0.02 -1.43 0.35 0.00 -0.03 0.00 0.00 56.01 54.88 1y8h n LEU 80 Cb 0.60 -0.11 0.56 0.00 -2.33 0.00 0.00 43.42 42.13 1y8h n LEU 80 CO 0.41 0.54 1.32 -1.28 -1.33 0.00 0.00 177.39 177.05 1y8h h SER 81 N 2.40 0.00 0.19 -1.43 0.87 -1.71 0.24 113.55 114.10 1y8h h SER 81 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1y8h h SER 81 Cb 0.63 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1y8h h SER 81 CO 0.00 0.00 -1.83 -2.24 -0.53 0.00 0.00 176.83 172.23 1y8h h ASP 82 N 0.00 0.53 0.61 6.23 2.03 -1.91 -3.22 116.42 120.69 1y8h h ASP 82 Ca 0.60 -0.91 -0.06 0.00 -0.73 0.00 0.00 57.03 55.93 1y8h h ASP 82 Cb 3.09 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 41.41 1y8h h ASP 82 CO -0.01 1.79 -0.31 -0.07 -1.03 0.00 0.00 179.24 179.61 1y8h h LEU 83 N 0.09 0.00 -0.62 0.15 4.07 -0.95 -1.66 115.31 116.40 1y8h h LEU 83 Ca -0.37 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.45 1y8h h LEU 83 Cb 2.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.80 1y8h h LEU 83 CO 0.14 0.31 -0.42 -1.28 -1.08 0.00 0.00 178.44 176.11 1y8h h SER 84 N 0.00 0.65 0.26 -0.43 0.87 -1.30 -1.69 113.55 111.91 1y8h h SER 84 Ca -0.00 -0.30 -0.22 0.00 -1.23 0.00 0.00 61.79 60.04 1y8h h SER 84 Cb 0.70 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1y8h h SER 84 CO 0.04 0.99 -0.87 0.78 -0.53 0.00 0.00 176.83 177.24 1y8h h ASN 85 N 0.50 0.57 -0.16 6.23 4.21 -1.43 -1.72 115.58 123.77 1y8h h ASN 85 Ca 0.04 -0.43 -0.06 0.00 1.21 0.00 0.00 56.30 57.06 1y8h h ASN 85 Cb 0.94 -0.17 -0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1y8h h ASN 85 CO 0.08 1.21 -0.13 0.25 -1.29 0.00 0.00 177.43 177.55 1y8h h LEU 86 N 0.28 0.40 0.00 1.61 5.85 -1.23 -0.92 115.31 121.31 1y8h h LEU 86 Ca -0.07 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 1y8h h LEU 86 Cb 1.49 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1y8h h LEU 86 CO 0.15 0.78 -0.35 0.45 -0.34 0.00 0.00 178.44 179.13 1y8h h HIS 87 N 0.03 0.00 0.00 1.25 3.86 -1.39 0.17 115.15 119.07 1y8h h HIS 87 Ca 0.03 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.99 1y8h h HIS 87 Cb 0.65 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.08 1y8h h HIS 87 CO 0.08 0.22 -1.95 0.00 0.86 0.00 0.00 177.93 177.14 1y8h n ALA 88 N -2.17 1.65 -0.05 2.45 0.00 -0.65 -2.18 120.51 119.56 1y8h n ALA 88 Ca 0.02 -0.80 -0.22 0.00 0.00 0.00 0.00 53.44 52.44 1y8h n ALA 88 Cb 0.63 0.04 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 1y8h n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y8h h HIS 89 N 0.00 0.22 0.00 0.00 3.86 -1.32 -3.37 115.15 114.54 1y8h h HIS 89 Ca -0.37 -0.16 -0.18 0.00 -1.16 0.00 0.00 60.37 58.50 1y8h h HIS 89 Cb 1.70 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 30.13 1y8h h HIS 89 CO 0.01 1.62 -1.16 1.17 0.86 0.00 0.00 177.93 180.43 1y8h n LYS 90 N -4.02 0.53 0.06 2.45 3.00 -0.88 -4.61 118.16 114.69 1y8h n LYS 90 Ca -0.32 0.52 -0.08 0.00 -0.00 0.00 0.00 58.31 58.43 1y8h n LYS 90 Cb 0.84 -1.69 -0.12 0.00 0.00 0.00 0.00 35.03 34.06 1y8h n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1y8h h LEU 91 N -1.00 0.04 -1.86 3.14 3.38 -1.17 -3.49 115.31 114.36 1y8h h LEU 91 Ca -0.27 -0.04 -0.41 0.00 0.09 0.00 0.00 57.88 57.25 1y8h h LEU 91 Cb 1.09 -0.01 0.06 0.00 0.09 0.00 0.00 40.66 41.89 1y8h h LEU 91 CO -0.16 1.03 -0.83 0.54 0.09 0.00 0.00 178.44 179.11 1y8h n ARG 92 N -3.34 -4.71 -2.29 1.13 1.74 -1.09 -4.93 116.66 103.18 1y8h n ARG 92 Ca -0.03 0.62 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 1y8h n ARG 92 Cb 0.96 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 1y8h n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y8h s VAL 93 N -3.65 3.09 0.11 1.55 1.01 -0.92 -4.98 120.40 116.60 1y8h s VAL 93 Ca 0.03 1.09 -0.31 0.00 0.00 0.00 0.00 61.98 62.80 1y8h s VAL 93 Cb -0.01 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1y8h s VAL 93 CO 0.81 0.26 1.34 -0.62 0.00 0.00 0.00 175.10 176.89 1y8h s ASP 94 N -0.64 6.89 0.65 3.32 -1.08 -1.26 -4.91 116.67 119.64 1y8h s ASP 94 Ca 0.47 2.26 0.40 0.00 -0.52 0.00 0.00 52.55 55.15 1y8h s ASP 94 Cb -0.36 -2.59 2.22 0.00 -1.46 0.00 0.00 42.92 40.73 1y8h s ASP 94 CO 0.47 -0.61 2.31 1.55 0.52 0.00 0.00 175.17 179.41 1y8h h PRO 95 N 6.75 0.00 0.00 4.34 0.13 -1.98 -1.75 132.00 139.50 1y8h h PRO 95 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1y8h h PRO 95 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1y8h h PRO 95 CO 0.85 0.00 0.00 0.28 -0.23 0.00 0.00 178.00 178.90 1y8h h VAL 96 N 0.00 0.00 0.00 1.56 2.07 -2.01 -1.96 116.25 115.91 1y8h h VAL 96 Ca 0.00 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 66.99 1y8h h VAL 96 Cb 0.07 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1y8h h VAL 96 CO -0.00 0.00 -0.29 0.78 0.02 0.00 0.00 177.57 178.08 1y8h h ASN 97 N 0.00 0.00 0.02 0.57 2.35 -1.71 -3.10 115.58 113.72 1y8h h ASN 97 Ca 0.00 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1y8h h ASN 97 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1y8h h ASN 97 CO 0.00 0.29 -0.38 -0.26 -1.65 0.00 0.00 177.43 175.44 1y8h h PHE 98 N 0.00 0.55 -0.12 1.19 0.04 -1.49 -2.31 116.94 114.80 1y8h h PHE 98 Ca -0.00 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.53 1y8h h PHE 98 Cb 0.96 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.98 1y8h h PHE 98 CO 0.00 0.78 -0.31 0.87 -0.60 0.00 0.00 178.31 179.05 1y8h h LYS 99 N 0.39 0.23 -0.07 1.51 1.57 -1.62 -1.98 116.57 116.61 1y8h h LYS 99 Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1y8h h LYS 99 Cb 0.84 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1y8h h LYS 99 CO 0.07 0.52 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.27 1y8h h LEU 100 N 0.21 0.23 -0.89 2.94 3.38 -1.52 -1.79 115.31 117.88 1y8h h LEU 100 Ca 0.03 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 1y8h h LEU 100 Cb 0.65 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1y8h h LEU 100 CO 0.05 0.75 -0.16 0.25 0.09 0.00 0.00 178.44 179.42 1y8h h LEU 101 N -0.27 0.64 -0.60 1.67 5.85 -1.39 -1.20 115.31 120.01 1y8h h LEU 101 Ca 0.00 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1y8h h LEU 101 Cb 0.71 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1y8h h LEU 101 CO 0.03 0.81 0.27 0.28 -0.34 0.00 0.00 178.44 179.49 1y8h h SER 102 N 0.58 0.80 -0.67 1.25 0.02 -1.37 -0.40 113.55 113.76 1y8h h SER 102 Ca 0.10 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1y8h h SER 102 Cb 0.60 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1y8h h SER 102 CO 0.04 0.72 0.25 -0.74 -1.14 0.00 0.00 176.83 175.96 1y8h h HIS 103 N 0.82 1.03 0.00 3.45 -0.00 -0.93 -1.30 115.15 118.23 1y8h h HIS 103 Ca 0.20 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.38 1y8h h HIS 103 Cb 0.15 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 1y8h h HIS 103 CO 0.00 0.82 -0.48 0.00 -0.00 0.00 0.00 177.93 178.27 1y8h h LEU 105 N 0.00 0.79 -1.20 0.00 5.85 -0.67 -2.39 115.31 117.68 1y8h h LEU 105 Ca -0.00 -0.49 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1y8h h LEU 105 Cb 0.88 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1y8h h LEU 105 CO 0.06 1.12 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.83 1y8h h LEU 106 N 0.48 0.00 -0.62 2.25 3.38 -1.08 -2.55 115.31 117.17 1y8h h LEU 106 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1y8h h LEU 106 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1y8h h LEU 106 CO 0.08 0.38 -0.62 0.28 0.09 0.00 0.00 178.44 178.66 1y8h h SER 107 N 0.00 0.30 0.24 -0.43 0.02 -1.19 -2.80 113.55 109.70 1y8h h SER 107 Ca -0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1y8h h SER 107 Cb 0.73 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1y8h h SER 107 CO 0.05 0.84 -0.12 0.74 -1.14 0.00 0.00 176.83 177.21 1y8h h THR 108 N 0.20 0.82 -0.84 -2.27 2.02 -1.08 -2.92 112.91 108.84 1y8h h THR 108 Ca -0.01 -0.59 0.14 0.00 0.77 0.00 0.00 66.41 66.72 1y8h h THR 108 Cb 1.13 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.63 1y8h h THR 108 CO 0.10 0.13 0.55 -0.07 0.37 0.00 0.00 175.52 176.59 1y8h h LEU 109 N -0.64 0.57 -0.78 2.58 4.07 -1.46 0.18 115.31 119.83 1y8h h LEU 109 Ca -0.03 0.03 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1y8h h LEU 109 Cb 0.45 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 1y8h h LEU 109 CO 0.05 0.29 0.14 0.00 -1.08 0.00 0.00 178.44 177.85 1y8h h ALA 110 N 1.61 0.99 -0.11 1.53 0.00 -1.44 0.59 119.26 122.43 1y8h h ALA 110 Ca 0.41 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1y8h h ALA 110 Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1y8h h ALA 110 CO -0.17 0.65 -0.37 0.28 0.00 0.00 0.00 179.25 179.64 1y8h h VAL 111 N 1.01 1.29 0.00 0.00 2.07 -0.79 -2.99 116.25 116.83 1y8h h VAL 111 Ca 0.21 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.32 1y8h h VAL 111 Cb 0.39 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1y8h h VAL 111 CO 0.01 0.42 -1.70 1.41 0.02 0.00 0.00 177.57 177.72 1y8h n HIS 112 N -4.06 0.00 -2.64 1.57 8.25 -0.77 -4.59 115.22 112.97 1y8h n HIS 112 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1y8h n HIS 112 Cb 0.45 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.23 1y8h n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y8h n LEU 113 N -2.04 1.98 -0.16 2.41 4.77 0.17 -4.95 117.00 119.19 1y8h n LEU 113 Ca -0.02 -3.86 0.28 0.00 -0.03 0.00 0.00 56.01 52.39 1y8h n LEU 113 Cb 0.48 0.30 0.62 0.00 -2.33 0.00 0.00 43.42 42.50 1y8h n LEU 113 CO 0.43 1.60 1.26 1.55 -1.33 0.00 0.00 177.39 180.90 1y8h h PRO 114 N 2.88 0.00 0.00 3.23 0.13 -1.69 -0.10 132.00 136.45 1y8h h PRO 114 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1y8h h PRO 114 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1y8h h PRO 114 CO 0.51 0.00 -1.19 0.09 -0.23 0.00 0.00 178.00 177.18 1y8h n ASN 115 N -3.58 0.65 0.01 1.44 3.02 -1.26 -4.13 115.26 111.41 1y8h n ASN 115 Ca 0.19 0.20 0.07 0.00 -0.03 0.00 0.00 54.58 55.02 1y8h n ASN 115 Cb 1.20 0.78 -0.12 0.00 -0.61 0.00 0.00 39.78 41.04 1y8h n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1y8h n ASP 116 N -2.50 0.32 -3.33 6.41 8.00 -0.15 -4.63 116.55 120.67 1y8h n ASP 116 Ca -0.01 0.13 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 1y8h n ASP 116 Cb 0.54 1.25 -0.02 0.00 -0.02 0.00 0.00 41.12 42.86 1y8h n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1y8h n PHE 117 N -2.51 1.92 -2.40 1.24 7.35 -0.62 -4.86 117.46 117.59 1y8h n PHE 117 Ca -0.07 -2.33 -0.34 0.00 -0.76 0.00 0.00 57.45 53.95 1y8h n PHE 117 Cb 0.68 -1.97 -0.02 0.00 0.35 0.00 0.00 39.48 38.51 1y8h n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y8h s THR 118 N 3.31 3.85 0.35 -2.13 -4.23 -1.26 -4.84 115.64 110.69 1y8h s THR 118 Ca 0.51 1.06 0.13 0.00 -1.18 0.00 0.00 61.69 62.21 1y8h s THR 118 Cb 0.13 -3.45 0.35 0.00 1.34 0.00 0.00 72.50 70.87 1y8h s THR 118 CO -0.02 -0.34 1.76 -0.65 -0.54 0.00 0.00 174.62 174.82 1y8h h PRO 119 N 1.22 0.50 -0.35 3.99 0.11 -1.99 0.91 132.00 136.38 1y8h h PRO 119 Ca -0.49 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1y8h h PRO 119 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1y8h h PRO 119 CO 0.59 0.33 -0.23 0.00 -0.21 0.00 0.00 178.00 178.47 1y8h h ALA 120 N 1.67 0.93 0.00 -0.75 0.00 -1.97 -2.17 119.26 116.97 1y8h h ALA 120 Ca 0.61 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1y8h h ALA 120 Cb 1.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1y8h h ALA 120 CO -0.38 0.61 -0.39 0.28 0.00 0.00 0.00 179.25 179.38 1y8h h VAL 121 N 0.61 1.03 -0.11 0.00 2.07 -1.20 -2.82 116.25 115.83 1y8h h VAL 121 Ca 0.08 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.12 1y8h h VAL 121 Cb 0.72 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1y8h h VAL 121 CO 0.06 0.38 -0.03 -0.74 0.02 0.00 0.00 177.57 177.26 1y8h h HIS 122 N 0.00 0.25 -0.59 1.57 6.17 -0.82 -1.93 115.15 119.80 1y8h h HIS 122 Ca -0.00 -0.05 -0.04 0.00 0.71 0.00 0.00 60.37 60.98 1y8h h HIS 122 Cb 0.81 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.65 1y8h h HIS 122 CO 0.00 0.53 0.21 0.00 0.71 0.00 0.00 177.93 179.38 1y8h h ALA 123 N 0.69 1.27 -0.03 5.26 0.00 -1.27 -2.14 119.26 123.03 1y8h h ALA 123 Ca 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1y8h h ALA 123 Cb 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1y8h h ALA 123 CO 0.01 0.53 -0.12 0.77 0.00 0.00 0.00 179.25 180.44 1y8h h SER 124 N 0.85 0.17 -0.78 0.00 0.02 -1.46 -2.94 113.55 109.40 1y8h h SER 124 Ca 0.20 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1y8h h SER 124 Cb 0.20 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1y8h h SER 124 CO -0.01 0.77 0.50 -0.07 -1.14 0.00 0.00 176.83 176.88 1y8h h LEU 125 N -0.43 0.92 -0.34 5.07 3.38 -1.33 0.15 115.31 122.73 1y8h h LEU 125 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1y8h h LEU 125 Cb 0.76 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1y8h h LEU 125 CO 0.03 0.68 0.17 -0.78 0.09 0.00 0.00 178.44 178.63 1y8h h ASP 126 N 1.07 0.44 -0.12 -0.43 3.58 -1.45 0.99 116.42 120.51 1y8h h ASP 126 Ca 0.29 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1y8h h ASP 126 Cb -0.09 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 1y8h h ASP 126 CO -0.06 0.43 -0.01 0.11 -2.88 0.00 0.00 179.24 176.83 1y8h h LYS 127 N 0.42 0.21 -0.46 0.28 1.57 -1.23 -1.06 116.57 116.30 1y8h h LYS 127 Ca 0.12 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 1y8h h LYS 127 Cb 0.10 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1y8h h LYS 127 CO -0.02 0.47 0.04 0.35 -0.57 0.00 0.00 179.45 179.73 1y8h h PHE 128 N -0.07 0.04 -0.89 -1.35 3.57 -0.57 -0.48 116.94 117.20 1y8h h PHE 128 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1y8h h PHE 128 Cb 0.38 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1y8h h PHE 128 CO 0.04 -0.06 0.56 -0.07 -2.23 0.00 0.00 178.31 176.55 1y8h h LEU 129 N 0.16 1.05 -1.18 0.59 3.38 -0.68 -2.43 115.31 116.19 1y8h h LEU 129 Ca 0.23 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 1y8h h LEU 129 Cb 0.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1y8h h LEU 129 CO -0.35 0.79 -0.06 0.28 0.09 0.00 0.00 178.44 179.19 1y8h h SER 130 N 1.22 0.47 -0.33 -0.43 0.02 0.23 -0.92 113.55 113.81 1y8h h SER 130 Ca 0.32 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1y8h h SER 130 Cb -0.09 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1y8h h SER 130 CO -0.06 0.58 0.12 0.28 -1.14 0.00 0.00 176.83 176.61 1y8h h SER 131 N 0.47 0.47 -0.34 3.07 0.02 -0.76 -0.65 113.55 115.83 1y8h h SER 131 Ca 0.09 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1y8h h SER 131 Cb 0.40 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1y8h h SER 131 CO 0.02 0.53 0.03 0.58 -1.14 0.00 0.00 176.83 176.85 1y8h h VAL 132 N 0.39 1.22 -0.05 2.27 2.07 -1.18 -1.57 116.25 119.39 1y8h h VAL 132 Ca 0.11 -0.87 -0.11 0.00 0.82 0.00 0.00 66.70 66.65 1y8h h VAL 132 Cb 0.22 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1y8h h VAL 132 CO -0.01 0.31 -0.49 0.28 0.02 0.00 0.00 177.57 177.68 1y8h h SER 133 N 0.65 0.15 -0.04 0.57 0.02 -0.73 -2.36 113.55 111.80 1y8h h SER 133 Ca 0.14 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1y8h h SER 133 Cb 0.36 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1y8h h SER 133 CO 0.01 0.62 -0.68 0.74 -1.14 0.00 0.00 176.83 176.38 1y8h h THR 134 N 0.11 1.37 0.59 -2.27 2.02 -0.71 -3.22 112.91 110.80 1y8h h THR 134 Ca 0.00 -2.03 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 1y8h h THR 134 Cb 0.91 2.39 0.01 0.00 -1.74 0.00 0.00 68.15 69.71 1y8h h THR 134 CO 0.07 0.61 -0.29 0.58 0.37 0.00 0.00 175.52 176.87 1y8h h VAL 135 N 0.12 0.39 0.00 3.16 2.07 -1.26 -2.96 116.25 117.78 1y8h h VAL 135 Ca -0.07 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1y8h h VAL 135 Cb 1.36 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1y8h h VAL 135 CO 0.14 0.02 0.10 -0.07 0.02 0.00 0.00 177.57 177.77 1y8h h LEU 136 N -0.87 0.00 -3.04 2.57 3.38 -1.54 -1.92 115.31 113.89 1y8h h LEU 136 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y8h h LEU 136 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1y8h h LEU 136 CO 0.13 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.01 1y8h n THR 137 N -2.31 1.52 -3.67 0.22 -2.24 -1.13 -3.71 114.28 102.95 1y8h n THR 137 Ca -0.01 -1.42 -0.38 0.00 -2.27 0.00 0.00 64.05 59.97 1y8h n THR 137 Cb 0.13 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 1y8h n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y8h s SER 138 N -1.50 5.49 -0.98 3.42 0.01 -0.72 -4.95 113.70 114.47 1y8h s SER 138 Ca 0.27 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 56.95 1y8h s SER 138 Cb 0.19 -1.99 0.10 0.00 0.21 0.00 0.00 66.02 64.52 1y8h s SER 138 CO 0.10 -0.13 1.28 -0.54 0.41 0.00 0.00 173.24 174.36 1y8h s LYS 139 N 1.63 3.62 -0.19 12.44 1.02 -1.26 -4.78 119.74 132.22 1y8h s LYS 139 Ca 0.05 -1.52 0.06 0.00 0.02 0.00 0.00 55.97 54.58 1y8h s LYS 139 Cb -0.16 -5.12 0.45 0.00 -0.52 0.00 0.00 37.83 32.48 1y8h s LYS 139 CO 0.06 -1.96 1.36 0.66 -0.92 0.00 0.00 175.35 174.55 1y8h n TYR 140 N 7.52 1.46 0.05 3.18 4.02 -1.26 -5.18 117.16 126.96 1y8h n TYR 140 Ca 0.28 -0.76 0.01 0.00 -0.01 0.00 0.00 57.90 57.42 1y8h n TYR 140 Cb 0.50 -0.47 0.01 0.00 -0.02 0.00 0.00 39.34 39.35 1y8h n TYR 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39