#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8i s LEU 2 N 0.00 4.44 0.00 7.52 2.01 -1.26 -5.07 118.68 126.32 1y8i s LEU 2 Ca 0.00 1.31 0.00 0.00 0.01 0.00 0.00 54.13 55.45 1y8i s LEU 2 Cb 0.00 -3.07 0.00 0.00 0.01 0.00 0.00 46.19 43.13 1y8i s LEU 2 CO 0.00 0.08 0.00 -1.54 1.01 0.00 0.00 176.35 175.90 1y8i n SER 3 N 2.67 0.00 0.05 2.29 3.41 -1.26 -4.89 113.62 115.89 1y8i n SER 3 Ca -0.05 -0.98 -0.20 0.00 -0.26 0.00 0.00 58.87 57.38 1y8i n SER 3 Cb 0.51 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1y8i n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y8i h ALA 4 N -1.28 -0.02 -0.43 7.33 0.00 -1.99 -2.64 119.26 120.22 1y8i h ALA 4 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1y8i h ALA 4 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1y8i h ALA 4 CO 0.00 0.47 0.22 0.00 0.00 0.00 0.00 179.25 179.93 1y8i h ALA 5 N 0.22 1.57 -0.19 0.00 0.00 -1.99 -1.79 119.26 117.08 1y8i h ALA 5 Ca -0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1y8i h ALA 5 Cb 1.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1y8i h ALA 5 CO 0.17 0.35 -0.55 -0.44 0.00 0.00 0.00 179.25 178.78 1y8i h ASP 6 N 0.60 0.82 -0.71 0.00 3.32 -1.93 -1.51 116.42 117.01 1y8i h ASP 6 Ca 0.15 -0.58 -0.06 0.00 0.02 0.00 0.00 57.03 56.56 1y8i h ASP 6 Cb 0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1y8i h ASP 6 CO -0.02 1.26 0.23 0.11 -1.72 0.00 0.00 179.24 179.10 1y8i h LYS 7 N 0.42 1.11 -0.44 3.56 1.57 -1.12 -0.19 116.57 121.47 1y8i h LYS 7 Ca -0.02 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1y8i h LYS 7 Cb 1.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1y8i h LYS 7 CO 0.12 0.94 -0.24 1.15 -0.57 0.00 0.00 179.45 180.85 1y8i h THR 8 N 1.07 1.27 -0.43 -0.16 2.02 -1.32 -1.68 112.91 113.68 1y8i h THR 8 Ca 0.23 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.99 1y8i h THR 8 Cb 0.29 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 1y8i h THR 8 CO -0.01 0.48 0.17 0.78 0.37 0.00 0.00 175.52 177.30 1y8i h ASN 9 N 0.80 0.60 0.02 4.18 -0.26 -0.77 -1.98 115.58 118.17 1y8i h ASN 9 Ca 0.10 -0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1y8i h ASN 9 Cb 0.81 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1y8i h ASN 9 CO 0.07 0.61 -0.01 0.58 -1.06 0.00 0.00 177.43 177.62 1y8i h VAL 10 N 0.55 1.18 0.00 2.81 2.07 -0.96 0.15 116.25 122.05 1y8i h VAL 10 Ca 0.14 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1y8i h VAL 10 Cb 0.20 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1y8i h VAL 10 CO -0.01 0.15 -0.07 0.11 0.02 0.00 0.00 177.57 177.77 1y8i h LYS 11 N -0.28 0.00 0.08 1.57 1.57 -1.30 -0.47 116.57 117.74 1y8i h LYS 11 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1y8i h LYS 11 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1y8i h LYS 11 CO 0.00 0.07 -0.57 0.00 -0.57 0.00 0.00 179.45 178.39 1y8i h ALA 12 N 1.93 -0.04 -0.68 3.86 0.00 -1.13 -2.95 119.26 120.24 1y8i h ALA 12 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 1y8i h ALA 12 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1y8i h ALA 12 CO 0.01 0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.71 1y8i h ALA 13 N 0.11 0.90 0.00 0.00 0.00 -0.73 -1.91 119.26 117.62 1y8i h ALA 13 Ca -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1y8i h ALA 13 Cb 1.41 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1y8i h ALA 13 CO 0.11 0.60 -0.13 2.35 0.00 0.00 0.00 179.25 182.18 1y8i h TRP 14 N 1.01 0.00 -0.36 0.00 2.91 -1.20 0.06 115.95 118.38 1y8i h TRP 14 Ca 0.22 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.20 1y8i h TRP 14 Cb 0.34 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 1y8i h TRP 14 CO 0.03 0.13 0.07 1.03 -1.03 0.00 0.00 178.44 178.67 1y8i h SER 15 N 0.00 0.48 0.06 2.65 0.87 -1.16 -2.06 113.55 114.39 1y8i h SER 15 Ca -0.00 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.34 1y8i h SER 15 Cb 0.44 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1y8i h SER 15 CO 0.02 0.50 -0.51 0.11 -0.53 0.00 0.00 176.83 176.41 1y8i h LYS 16 N 0.52 0.51 -0.90 2.24 6.56 -0.87 -2.91 116.57 121.71 1y8i h LYS 16 Ca 0.12 -0.30 -0.02 0.00 -1.06 0.00 0.00 60.65 59.39 1y8i h LYS 16 Cb 0.22 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.87 1y8i h LYS 16 CO -0.00 0.90 0.49 0.28 -2.06 0.00 0.00 179.45 179.06 1y8i h VAL 17 N 0.40 1.26 0.00 0.50 2.07 -1.08 -3.46 116.25 115.94 1y8i h VAL 17 Ca 0.01 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1y8i h VAL 17 Cb 1.03 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1y8i h VAL 17 CO 0.09 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.59 1y8i n GLY 18 N -1.13 3.54 1.37 2.17 0.00 -0.86 -1.32 105.19 108.96 1y8i n GLY 18 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1y8i n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8i n GLY 19 N 0.00 2.43 0.99 -0.02 0.00 -1.26 -3.99 105.19 103.34 1y8i n GLY 19 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.54 1y8i n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y8i n HIS 20 N 0.39 0.61 -0.23 1.61 8.25 -0.43 -4.57 115.22 120.84 1y8i n HIS 20 Ca 0.17 -0.40 0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1y8i n HIS 20 Cb 0.84 -0.01 0.13 0.00 1.12 0.00 0.00 29.99 32.08 1y8i n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y8i h ALA 21 N 3.42 0.93 -0.20 -1.41 0.00 -1.73 -1.47 119.26 118.79 1y8i h ALA 21 Ca 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y8i h ALA 21 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1y8i h ALA 21 CO 0.00 -0.10 0.11 0.78 0.00 0.00 0.00 179.25 180.04 1y8i h GLY 22 N 0.53 0.31 0.88 0.00 0.00 -1.83 -0.86 103.07 102.10 1y8i h GLY 22 Ca 0.34 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1y8i h GLY 22 CO -0.29 0.14 0.15 0.83 0.00 0.00 0.00 176.54 177.37 1y8i h GLU 23 N 0.22 0.31 -0.09 4.80 5.08 -1.77 -1.93 114.58 121.20 1y8i h GLU 23 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1y8i h GLU 23 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1y8i h GLU 23 CO -0.01 0.21 -0.06 1.88 -1.00 0.00 0.00 179.01 180.02 1y8i h TYR 24 N 0.32 0.12 -0.36 4.33 0.05 -1.14 -1.10 116.97 119.19 1y8i h TYR 24 Ca 0.12 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 1y8i h TYR 24 Cb 0.03 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1y8i h TYR 24 CO -0.09 0.19 -0.08 0.78 -1.05 0.00 0.00 178.16 177.90 1y8i h GLY 25 N 0.43 0.75 1.00 3.88 0.00 -0.54 0.66 103.07 109.25 1y8i h GLY 25 Ca 0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1y8i h GLY 25 CO 0.01 0.57 0.18 0.00 0.00 0.00 0.00 176.54 177.29 1y8i h ALA 26 N 0.82 0.75 -0.52 3.60 0.00 -0.60 -0.99 119.26 122.32 1y8i h ALA 26 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1y8i h ALA 26 Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1y8i h ALA 26 CO 0.04 0.42 -0.03 1.49 0.00 0.00 0.00 179.25 181.16 1y8i h GLU 27 N 0.81 0.94 -0.21 0.00 4.81 -1.16 -0.85 114.58 118.91 1y8i h GLU 27 Ca 0.18 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1y8i h GLU 27 Cb 0.29 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1y8i h GLU 27 CO -0.01 0.97 -0.06 0.00 -0.73 0.00 0.00 179.01 179.18 1y8i h ALA 28 N 0.94 0.13 -0.93 2.92 0.00 -0.47 0.13 119.26 121.97 1y8i h ALA 28 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1y8i h ALA 28 Cb 0.56 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1y8i h ALA 28 CO 0.03 -0.48 0.55 -0.07 0.00 0.00 0.00 179.25 179.28 1y8i h LEU 29 N -0.02 1.13 -0.84 0.00 3.38 -1.00 -0.13 115.31 117.84 1y8i h LEU 29 Ca 0.10 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1y8i h LEU 29 Cb 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1y8i h LEU 29 CO -0.23 0.88 -0.06 -0.08 0.09 0.00 0.00 178.44 179.04 1y8i h GLU 30 N 1.29 0.80 -0.39 1.13 4.81 -0.49 -1.10 114.58 120.64 1y8i h GLU 30 Ca 0.33 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1y8i h GLU 30 Cb -0.03 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1y8i h GLU 30 CO -0.06 0.85 -0.32 0.00 -0.73 0.00 0.00 179.01 178.74 1y8i h ARG 31 N 0.73 0.86 -0.43 1.92 3.08 -0.16 -3.05 114.38 117.33 1y8i h ARG 31 Ca 0.13 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1y8i h ARG 31 Cb 0.53 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1y8i h ARG 31 CO 0.03 1.06 0.04 1.98 -1.07 0.00 0.00 179.97 182.01 1y8i h MET 32 N 0.72 0.73 -0.15 0.04 4.05 -0.70 0.67 114.93 120.31 1y8i h MET 32 Ca 0.08 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1y8i h MET 32 Cb 0.89 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.60 1y8i h MET 32 CO 0.08 0.78 -0.20 0.74 0.23 0.00 0.00 176.91 178.54 1y8i h PHE 33 N 0.58 0.26 0.06 1.39 0.04 -1.21 0.17 116.94 118.22 1y8i h PHE 33 Ca 0.13 -0.04 -0.30 0.00 2.80 0.00 0.00 57.97 60.55 1y8i h PHE 33 Cb 0.42 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1y8i h PHE 33 CO 0.03 0.44 -1.67 -0.07 -0.60 0.00 0.00 178.31 176.44 1y8i h LEU 34 N 0.23 0.18 -0.09 1.54 4.07 -1.51 -3.27 115.31 116.47 1y8i h LEU 34 Ca 0.04 -0.34 -0.21 0.00 0.08 0.00 0.00 57.88 57.45 1y8i h LEU 34 Cb 0.49 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1y8i h LEU 34 CO 0.03 1.29 -1.00 1.23 -1.08 0.00 0.00 178.44 178.92 1y8i h GLY 35 N 2.51 0.10 -6.30 0.83 0.00 -0.73 -3.40 103.07 96.08 1y8i h GLY 35 Ca -0.28 -0.23 -0.58 0.00 0.00 0.00 0.00 47.33 46.24 1y8i h GLY 35 CO 0.11 0.21 -0.98 0.69 0.00 0.00 0.00 176.54 176.56 1y8i n PHE 36 N -3.48 -0.98 -0.48 5.60 3.01 0.58 -5.01 117.46 116.69 1y8i n PHE 36 Ca -0.02 -3.27 0.39 0.00 1.01 0.00 0.00 57.45 55.56 1y8i n PHE 36 Cb 0.91 0.26 0.68 0.00 -0.01 0.00 0.00 39.48 41.32 1y8i n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y8i h PRO 37 N 5.49 0.07 -0.95 -1.08 0.11 -1.75 -1.53 132.00 132.36 1y8i h PRO 37 Ca 0.25 -0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.54 1y8i h PRO 37 Cb 0.91 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 31.93 1y8i h PRO 37 CO 0.37 0.04 0.60 1.15 -0.21 0.00 0.00 178.00 179.96 1y8i h THR 38 N 0.07 0.73 -0.02 -1.15 2.02 -1.92 -1.04 112.91 111.60 1y8i h THR 38 Ca 0.82 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.80 1y8i h THR 38 Cb 2.75 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1y8i h THR 38 CO -0.32 0.11 0.05 0.71 0.37 0.00 0.00 175.52 176.45 1y8i h THR 39 N 0.62 0.19 -0.02 3.16 1.35 -1.61 -1.64 112.91 114.96 1y8i h THR 39 Ca 0.51 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 66.34 1y8i h THR 39 Cb 0.96 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 1y8i h THR 39 CO -0.26 0.00 -0.12 0.11 -0.25 0.00 0.00 175.52 175.00 1y8i h LYS 40 N 0.00 0.03 -1.04 4.72 1.57 -1.40 -2.62 116.57 117.84 1y8i h LYS 40 Ca 0.01 -0.01 0.30 0.00 -1.87 0.00 0.00 60.65 59.09 1y8i h LYS 40 Cb 0.12 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.29 1y8i h LYS 40 CO -0.00 0.16 0.62 1.15 -0.57 0.00 0.00 179.45 180.80 1y8i h THR 41 N 0.03 0.38 0.00 -0.16 2.02 -1.47 0.49 112.91 114.20 1y8i h THR 41 Ca 0.01 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1y8i h THR 41 Cb 0.24 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1y8i h THR 41 CO 0.02 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 1y8i n TYR 42 N -4.92 0.03 -2.94 3.16 4.01 -0.99 -3.86 117.16 111.66 1y8i n TYR 42 Ca 0.30 0.01 -0.24 0.00 -0.16 0.00 0.00 57.90 57.81 1y8i n TYR 42 Cb 0.95 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 39.43 1y8i n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y8i n PHE 43 N -1.53 2.98 0.23 -0.72 3.01 0.17 -4.89 117.46 116.72 1y8i n PHE 43 Ca 0.05 -3.81 0.07 0.00 1.01 0.00 0.00 57.45 54.76 1y8i n PHE 43 Cb 0.23 -0.42 0.55 0.00 -0.01 0.00 0.00 39.48 39.82 1y8i n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y8i h PRO 44 N 2.94 0.00 -0.02 -1.08 0.11 -1.67 -2.67 132.00 129.62 1y8i h PRO 44 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1y8i h PRO 44 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1y8i h PRO 44 CO 0.74 0.19 -0.04 -2.39 -0.21 0.00 0.00 178.00 176.29 1y8i n HIS 45 N -4.12 0.00 -3.30 0.65 1.44 -1.26 -4.93 115.22 103.69 1y8i n HIS 45 Ca -0.02 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.44 1y8i n HIS 45 Cb 0.26 -0.01 -0.01 0.00 0.12 0.00 0.00 29.99 30.34 1y8i n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y8i s PHE 46 N -2.06 3.50 -0.48 -1.40 0.40 -1.01 -5.04 117.98 111.89 1y8i s PHE 46 Ca 0.35 0.44 -0.16 0.00 -0.60 0.00 0.00 56.93 56.96 1y8i s PHE 46 Cb 0.21 -1.97 0.07 0.00 0.51 0.00 0.00 43.02 41.84 1y8i s PHE 46 CO 0.35 0.09 0.43 0.34 0.70 0.00 0.00 175.22 177.14 1y8i s ASP 47 N -3.89 6.16 -0.10 1.36 2.15 -1.26 -4.93 116.67 116.17 1y8i s ASP 47 Ca 0.41 -1.27 0.09 0.00 0.43 0.00 0.00 52.55 52.22 1y8i s ASP 47 Cb -0.10 -2.20 0.44 0.00 -0.30 0.00 0.00 42.92 40.76 1y8i s ASP 47 CO 0.36 -0.68 1.23 0.18 -0.17 0.00 0.00 175.17 176.09 1y8i n LEU 48 N 5.35 3.26 -4.64 -1.34 7.99 -1.26 -4.57 117.00 121.79 1y8i n LEU 48 Ca -0.12 -1.65 -0.30 0.00 -0.01 0.00 0.00 56.01 53.94 1y8i n LEU 48 Cb 0.44 -0.51 0.18 0.00 -0.11 0.00 0.00 43.42 43.42 1y8i n LEU 48 CO 0.48 0.49 0.62 -0.94 -1.51 0.00 0.00 177.39 176.54 1y8i s SER 49 N -0.60 2.55 0.17 -1.43 1.04 -1.26 -4.92 113.70 109.25 1y8i s SER 49 Ca 0.30 1.63 -0.31 0.00 0.48 0.00 0.00 55.95 58.06 1y8i s SER 49 Cb 0.21 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.96 1y8i s SER 49 CO 0.12 -3.24 1.36 -1.00 0.98 0.00 0.00 173.24 171.45 1y8i s HIS 50 N -2.73 3.23 0.00 5.02 3.76 -1.26 -2.41 115.29 120.90 1y8i s HIS 50 Ca 0.66 1.09 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1y8i s HIS 50 Cb -0.21 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.82 1y8i s HIS 50 CO 0.60 -2.17 0.00 0.41 -0.85 0.00 0.00 174.74 172.73 1y8i n GLY 51 N 2.82 0.42 3.60 -2.22 0.00 -1.26 -4.96 105.19 103.59 1y8i n GLY 51 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 1y8i n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y8i n SER 52 N -0.17 1.80 0.26 1.61 2.88 -1.01 -4.85 113.62 114.14 1y8i n SER 52 Ca 0.00 1.13 0.15 0.00 -1.33 0.00 0.00 58.87 58.82 1y8i n SER 52 Cb 0.08 -1.25 0.63 0.00 -0.75 0.00 0.00 64.21 62.92 1y8i n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y8i h ALA 53 N 4.15 1.02 -0.26 -1.46 0.00 -1.91 -2.62 119.26 118.18 1y8i h ALA 53 Ca -0.45 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.20 1y8i h ALA 53 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1y8i h ALA 53 CO 0.75 0.08 -0.60 0.37 0.00 0.00 0.00 179.25 179.86 1y8i h GLN 54 N 0.00 0.86 -0.29 0.00 4.15 -1.88 -2.12 115.11 115.81 1y8i h GLN 54 Ca -0.00 -0.57 -0.17 0.00 0.77 0.00 0.00 58.65 58.68 1y8i h GLN 54 Cb 0.56 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.33 1y8i h GLN 54 CO 0.01 1.20 -0.47 0.28 -1.93 0.00 0.00 178.83 177.92 1y8i h VAL 55 N 0.64 1.29 -0.71 2.39 2.07 -1.75 -2.22 116.25 117.95 1y8i h VAL 55 Ca -0.00 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.81 1y8i h VAL 55 Cb 1.21 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1y8i h VAL 55 CO 0.13 0.54 0.26 0.11 0.02 0.00 0.00 177.57 178.63 1y8i h LYS 56 N 0.63 1.08 -0.02 1.57 1.57 -1.43 0.20 116.57 120.15 1y8i h LYS 56 Ca 0.03 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1y8i h LYS 56 Cb 1.05 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1y8i h LYS 56 CO 0.10 0.90 0.01 0.00 -0.57 0.00 0.00 179.45 179.90 1y8i h ALA 57 N 1.12 0.03 -0.43 3.86 0.00 -1.29 -2.40 119.26 120.15 1y8i h ALA 57 Ca 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1y8i h ALA 57 Cb 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1y8i h ALA 57 CO -0.01 -0.40 0.16 1.25 0.00 0.00 0.00 179.25 180.24 1y8i h HIS 58 N -0.09 0.66 -0.92 0.00 -0.00 -1.25 -2.34 115.15 111.21 1y8i h HIS 58 Ca 0.01 -0.06 0.22 0.00 -0.00 0.00 0.00 60.37 60.55 1y8i h HIS 58 Cb 0.13 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.28 1y8i h HIS 58 CO -0.03 0.58 0.62 0.78 -0.00 0.00 0.00 177.93 179.88 1y8i h GLY 59 N 0.55 0.75 1.09 5.26 0.00 -0.45 0.15 103.07 110.41 1y8i h GLY 59 Ca 0.14 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1y8i h GLY 59 CO -0.01 -0.02 -0.19 1.70 0.00 0.00 0.00 176.54 178.02 1y8i h LYS 60 N 0.32 0.98 -0.17 4.80 1.63 -0.91 -1.29 116.57 121.94 1y8i h LYS 60 Ca 0.48 -0.41 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1y8i h LYS 60 Cb 1.33 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 1y8i h LYS 60 CO -0.16 1.09 0.11 0.87 -3.45 0.00 0.00 179.45 177.90 1y8i h LYS 61 N 0.84 0.23 -0.61 1.90 1.79 -0.55 -1.03 116.57 119.14 1y8i h LYS 61 Ca 0.11 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1y8i h LYS 61 Cb 0.77 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 1y8i h LYS 61 CO 0.06 0.17 0.37 0.28 -1.08 0.00 0.00 179.45 179.24 1y8i h VAL 62 N 0.22 1.18 -0.08 0.50 2.07 -1.31 -0.54 116.25 118.29 1y8i h VAL 62 Ca 0.06 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1y8i h VAL 62 Cb -0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1y8i h VAL 62 CO -0.01 0.19 0.02 1.23 0.02 0.00 0.00 177.57 179.02 1y8i h GLY 63 N 0.82 0.09 1.01 2.17 0.00 -0.95 -1.88 103.07 104.33 1y8i h GLY 63 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1y8i h GLY 63 CO -0.04 0.01 0.46 -0.55 0.00 0.00 0.00 176.54 176.42 1y8i h ASP 64 N 0.06 0.96 -0.73 0.19 3.32 -0.94 -1.93 116.42 117.36 1y8i h ASP 64 Ca 0.03 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.05 1y8i h ASP 64 Cb 0.02 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1y8i h ASP 64 CO -0.03 0.76 0.48 0.00 -1.72 0.00 0.00 179.24 178.72 1y8i h ALA 65 N 1.24 1.63 -0.01 3.45 0.00 -0.81 -0.96 119.26 123.81 1y8i h ALA 65 Ca 0.28 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1y8i h ALA 65 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1y8i h ALA 65 CO -0.05 0.27 -0.82 -0.07 0.00 0.00 0.00 179.25 178.58 1y8i h LEU 66 N 0.82 0.23 -1.02 0.00 3.38 -0.81 -2.04 115.31 115.86 1y8i h LEU 66 Ca 0.30 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1y8i h LEU 66 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1y8i h LEU 66 CO -0.09 0.95 -0.45 0.74 0.09 0.00 0.00 178.44 179.67 1y8i h THR 67 N 0.11 1.33 -0.26 0.22 2.02 -0.58 -1.84 112.91 113.91 1y8i h THR 67 Ca -0.03 -1.58 -0.12 0.00 0.77 0.00 0.00 66.41 65.44 1y8i h THR 67 Cb 1.43 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1y8i h THR 67 CO 0.12 0.46 -0.31 0.25 0.37 0.00 0.00 175.52 176.41 1y8i h LEU 68 N 0.06 0.72 -0.88 2.58 7.12 -1.06 -2.97 115.31 120.89 1y8i h LEU 68 Ca 0.00 -0.49 -0.02 0.00 0.13 0.00 0.00 57.88 57.50 1y8i h LEU 68 Cb 0.83 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.71 1y8i h LEU 68 CO 0.06 1.07 0.48 0.00 -0.13 0.00 0.00 178.44 179.92 1y8i h ALA 69 N 0.67 1.13 0.00 1.25 0.00 -1.04 -1.29 119.26 119.99 1y8i h ALA 69 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1y8i h ALA 69 Cb 0.89 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1y8i h ALA 69 CO 0.07 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 180.19 1y8i h VAL 70 N 1.24 0.38 0.00 0.00 2.07 -1.28 -0.47 116.25 118.19 1y8i h VAL 70 Ca 0.31 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1y8i h VAL 70 Cb 0.04 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1y8i h VAL 70 CO -0.05 0.06 -0.31 0.61 0.02 0.00 0.00 177.57 177.90 1y8i n GLY 71 N -0.79 -1.43 2.60 2.17 0.00 -0.51 -4.11 105.19 103.12 1y8i n GLY 71 Ca -0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1y8i n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y8i n HIS 72 N -1.77 1.87 0.20 1.61 -0.00 -0.21 -4.87 115.22 112.06 1y8i n HIS 72 Ca 0.05 -2.87 0.07 0.00 -0.00 0.00 0.00 57.72 54.97 1y8i n HIS 72 Cb 0.38 -0.28 0.57 0.00 -0.00 0.00 0.00 29.99 30.66 1y8i n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1y8i h LEU 73 N 2.85 0.10 -0.28 2.41 3.38 -1.64 -1.71 115.31 120.42 1y8i h LEU 73 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y8i h LEU 73 Cb 1.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1y8i h LEU 73 CO 0.60 0.10 0.00 0.47 0.09 0.00 0.00 178.44 179.71 1y8i n ASP 74 N -4.49 0.51 -2.87 -0.43 9.92 -1.26 -4.21 116.55 113.72 1y8i n ASP 74 Ca -0.02 0.59 -0.12 0.00 -0.53 0.00 0.00 54.79 54.71 1y8i n ASP 74 Cb 0.11 -0.71 0.03 0.00 -0.64 0.00 0.00 41.12 39.91 1y8i n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1y8i n ASP 75 N -2.02 -1.79 -0.31 -2.24 2.03 -0.67 -5.00 116.55 106.55 1y8i n ASP 75 Ca 0.04 -3.30 -0.05 0.00 0.52 0.00 0.00 54.79 52.00 1y8i n ASP 75 Cb 0.29 1.17 0.08 0.00 -0.72 0.00 0.00 41.12 41.94 1y8i n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1y8i h LEU 76 N 3.57 1.11 -0.92 -2.67 3.38 -1.66 -2.69 115.31 115.43 1y8i h LEU 76 Ca -0.07 -0.13 0.13 0.00 0.09 0.00 0.00 57.88 57.89 1y8i h LEU 76 Cb 1.02 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 1y8i h LEU 76 CO 0.31 0.93 0.55 -0.65 0.09 0.00 0.00 178.44 179.67 1y8i h PRO 77 N 1.21 0.82 -0.00 1.13 0.11 -1.94 -1.69 132.00 131.64 1y8i h PRO 77 Ca 0.29 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.27 1y8i h PRO 77 Cb 0.11 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.05 1y8i h PRO 77 CO -0.04 0.54 -0.33 0.78 -0.21 0.00 0.00 178.00 178.74 1y8i h GLY 78 N 0.84 0.25 2.00 -0.55 0.00 -1.92 -2.97 103.07 100.73 1y8i h GLY 78 Ca 0.47 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 1y8i h GLY 78 CO -0.29 0.39 -0.29 0.00 0.00 0.00 0.00 176.54 176.35 1y8i h ALA 79 N 0.27 1.19 -0.44 3.60 0.00 -1.34 -3.06 119.26 119.48 1y8i h ALA 79 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1y8i h ALA 79 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1y8i h ALA 79 CO 0.07 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1y8i n LEU 80 N -3.72 3.65 -0.26 0.00 4.77 -0.65 -4.74 117.00 116.05 1y8i n LEU 80 Ca -0.01 -2.30 -0.02 0.00 -0.03 0.00 0.00 56.01 53.65 1y8i n LEU 80 Cb 0.40 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1y8i n LEU 80 CO 0.35 0.77 0.65 -1.28 -1.33 0.00 0.00 177.39 176.56 1y8i h SER 81 N 2.71 -1.03 -0.57 -1.43 0.87 -1.42 -1.43 113.55 111.27 1y8i h SER 81 Ca 0.00 0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1y8i h SER 81 Cb 1.06 0.57 -0.03 0.00 -0.44 0.00 0.00 62.40 63.56 1y8i h SER 81 CO 0.10 -0.28 0.10 -2.24 -0.53 0.00 0.00 176.83 173.98 1y8i h ASP 82 N -0.07 0.92 -0.20 6.23 2.03 -1.86 -2.85 116.42 120.62 1y8i h ASP 82 Ca 0.31 -0.20 -0.06 0.00 -0.73 0.00 0.00 57.03 56.34 1y8i h ASP 82 Cb 0.57 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.81 1y8i h ASP 82 CO -0.78 0.92 -0.06 -0.07 -1.03 0.00 0.00 179.24 178.22 1y8i h LEU 83 N 0.92 0.52 -0.01 0.15 -0.00 -1.64 -2.21 115.31 113.04 1y8i h LEU 83 Ca 0.19 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1y8i h LEU 83 Cb 0.39 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1y8i h LEU 83 CO 0.01 0.63 0.00 -1.28 -0.00 0.00 0.00 178.44 177.81 1y8i h SER 84 N 0.51 0.01 -0.35 -0.43 0.87 -1.14 -0.24 113.55 112.77 1y8i h SER 84 Ca 0.10 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1y8i h SER 84 Cb 0.43 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1y8i h SER 84 CO 0.02 0.11 0.22 0.78 -0.53 0.00 0.00 176.83 177.43 1y8i h ASN 85 N -0.09 0.44 -0.10 6.23 -0.26 -1.31 0.17 115.58 120.66 1y8i h ASN 85 Ca 0.00 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.59 1y8i h ASN 85 Cb 0.11 -0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1y8i h ASN 85 CO -0.00 0.35 -0.47 0.25 -1.06 0.00 0.00 177.43 176.50 1y8i h LEU 86 N 0.51 0.58 -0.06 1.61 5.85 -1.08 -2.48 115.31 120.25 1y8i h LEU 86 Ca 0.13 -0.64 -0.23 0.00 0.84 0.00 0.00 57.88 57.99 1y8i h LEU 86 Cb -0.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1y8i h LEU 86 CO -0.02 1.13 -1.04 0.45 -0.34 0.00 0.00 178.44 178.62 1y8i h HIS 87 N 0.07 0.27 0.05 1.25 3.86 -0.74 -1.27 115.15 118.63 1y8i h HIS 87 Ca -0.03 -0.18 -0.32 0.00 -1.16 0.00 0.00 60.37 58.68 1y8i h HIS 87 Cb 1.11 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 1y8i h HIS 87 CO 0.12 1.08 -1.76 0.00 0.86 0.00 0.00 177.93 178.23 1y8i n ALA 88 N -2.45 0.91 -0.01 2.45 0.00 0.58 -2.01 120.51 119.98 1y8i n ALA 88 Ca -0.04 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 1y8i n ALA 88 Cb 0.92 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 1y8i n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y8i h HIS 89 N -0.53 0.34 0.00 0.00 3.86 -1.60 -3.23 115.15 113.99 1y8i h HIS 89 Ca -0.43 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 58.50 1y8i h HIS 89 Cb 1.65 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 30.11 1y8i h HIS 89 CO 0.07 1.49 -0.34 -0.22 0.86 0.00 0.00 177.93 179.79 1y8i h LYS 90 N -0.46 0.00 0.00 2.45 3.64 -1.53 -3.40 116.57 117.28 1y8i h LYS 90 Ca -0.28 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.96 1y8i h LYS 90 Cb 1.63 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.43 1y8i h LYS 90 CO 0.02 0.21 -0.66 -0.07 -2.27 0.00 0.00 179.45 176.68 1y8i h LEU 91 N -1.00 0.00 -2.62 5.20 3.38 -1.40 -3.48 115.31 115.39 1y8i h LEU 91 Ca -0.04 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.51 1y8i h LEU 91 Cb 0.45 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.26 1y8i h LEU 91 CO -0.02 0.66 -0.90 0.54 0.09 0.00 0.00 178.44 178.80 1y8i n ARG 92 N -3.73 -2.44 -2.53 1.13 1.74 -0.86 -4.91 116.66 105.07 1y8i n ARG 92 Ca -0.01 0.52 -0.42 0.00 -0.77 0.00 0.00 57.85 57.17 1y8i n ARG 92 Cb 0.66 -4.56 -0.03 0.00 -1.02 0.00 0.00 32.46 27.51 1y8i n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y8i s VAL 93 N -3.59 4.37 0.11 1.55 1.01 -0.85 -4.97 120.40 118.03 1y8i s VAL 93 Ca 0.29 1.70 -0.32 0.00 0.00 0.00 0.00 61.98 63.65 1y8i s VAL 93 Cb -0.10 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 1y8i s VAL 93 CO 0.85 0.07 1.80 -0.67 0.00 0.00 0.00 175.10 177.15 1y8i n ASP 94 N 4.46 3.83 -0.19 3.32 -0.08 -1.26 -4.84 116.55 121.80 1y8i n ASP 94 Ca 0.09 1.00 0.28 0.00 -1.51 0.00 0.00 54.79 54.66 1y8i n ASP 94 Cb 0.48 -1.51 0.71 0.00 2.34 0.00 0.00 41.12 43.14 1y8i n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1y8i h PRO 95 N 8.19 0.02 -0.90 -0.67 0.13 -1.97 -1.70 132.00 135.11 1y8i h PRO 95 Ca -0.46 -0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.80 1y8i h PRO 95 Cb 1.23 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1y8i h PRO 95 CO 0.94 0.01 0.58 0.28 -0.23 0.00 0.00 178.00 179.58 1y8i h VAL 96 N 0.02 0.85 0.00 1.56 2.07 -2.03 -1.39 116.25 117.34 1y8i h VAL 96 Ca 0.44 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1y8i h VAL 96 Cb 1.71 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1y8i h VAL 96 CO -0.02 0.13 -0.03 0.78 0.02 0.00 0.00 177.57 178.46 1y8i h ASN 97 N 0.72 0.00 -0.40 0.57 2.35 -1.68 -2.42 115.58 114.72 1y8i h ASN 97 Ca 0.45 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.13 1y8i h ASN 97 Cb 0.69 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1y8i h ASN 97 CO -0.21 0.03 0.03 -0.26 -1.65 0.00 0.00 177.43 175.37 1y8i h PHE 98 N 0.00 0.81 -0.60 1.19 0.04 -1.42 -1.97 116.94 114.99 1y8i h PHE 98 Ca -0.00 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 1y8i h PHE 98 Cb 0.06 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 1y8i h PHE 98 CO 0.00 0.74 0.15 0.87 -0.60 0.00 0.00 178.31 179.47 1y8i h LYS 99 N 0.73 0.94 -0.57 1.51 1.57 -1.55 -1.01 116.57 118.19 1y8i h LYS 99 Ca 0.15 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1y8i h LYS 99 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1y8i h LYS 99 CO 0.01 0.83 0.13 -0.07 -0.57 0.00 0.00 179.45 179.79 1y8i h LEU 100 N 0.90 0.87 -0.54 2.94 3.38 -1.43 -1.28 115.31 120.14 1y8i h LEU 100 Ca 0.19 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1y8i h LEU 100 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1y8i h LEU 100 CO -0.00 0.88 -0.25 0.25 0.09 0.00 0.00 178.44 179.40 1y8i h LEU 101 N 0.82 0.94 -0.55 1.67 5.85 -1.08 -2.28 115.31 120.67 1y8i h LEU 101 Ca 0.18 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1y8i h LEU 101 Cb 0.35 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1y8i h LEU 101 CO 0.00 1.14 0.29 0.28 -0.34 0.00 0.00 178.44 179.81 1y8i h SER 102 N 0.78 0.70 -0.48 1.25 0.02 -0.99 -0.40 113.55 114.43 1y8i h SER 102 Ca 0.10 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1y8i h SER 102 Cb 0.82 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1y8i h SER 102 CO 0.07 0.60 0.14 -0.74 -1.14 0.00 0.00 176.83 175.76 1y8i h HIS 103 N 0.74 0.83 0.00 3.45 -0.00 -1.19 -0.77 115.15 118.21 1y8i h HIS 103 Ca 0.19 -0.07 -0.10 0.00 -0.00 0.00 0.00 60.37 60.39 1y8i h HIS 103 Cb 0.07 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1y8i h HIS 103 CO -0.01 0.69 -0.50 0.00 -0.00 0.00 0.00 177.93 178.11 1y8i h LEU 105 N 0.00 0.59 -0.42 0.00 6.46 -0.59 -1.32 115.31 120.02 1y8i h LEU 105 Ca -0.00 -0.65 -0.03 0.00 -0.12 0.00 0.00 57.88 57.07 1y8i h LEU 105 Cb 1.05 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 1y8i h LEU 105 CO 0.06 1.14 0.13 -0.07 -0.62 0.00 0.00 178.44 179.09 1y8i h LEU 106 N 0.07 0.61 -0.39 2.25 3.38 -1.08 -0.24 115.31 119.92 1y8i h LEU 106 Ca -0.03 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1y8i h LEU 106 Cb 1.13 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1y8i h LEU 106 CO 0.10 0.66 0.14 0.28 0.09 0.00 0.00 178.44 179.71 1y8i h SER 107 N 0.54 0.16 -1.00 -0.43 0.02 -1.08 0.06 113.55 111.82 1y8i h SER 107 Ca 0.14 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1y8i h SER 107 Cb 0.26 0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1y8i h SER 107 CO -0.00 0.13 0.65 0.74 -1.14 0.00 0.00 176.83 177.21 1y8i h THR 108 N 0.31 1.26 -0.18 -2.27 2.02 -0.86 -2.10 112.91 111.08 1y8i h THR 108 Ca 0.18 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.77 1y8i h THR 108 Cb 0.15 -0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1y8i h THR 108 CO -0.18 0.25 -0.36 -0.07 0.37 0.00 0.00 175.52 175.54 1y8i h LEU 109 N 1.36 0.40 -1.00 2.58 4.07 -0.21 -2.85 115.31 119.66 1y8i h LEU 109 Ca 0.37 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 58.09 1y8i h LEU 109 Cb -0.15 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1y8i h LEU 109 CO -0.08 0.73 -0.13 0.00 -1.08 0.00 0.00 178.44 177.89 1y8i h ALA 110 N 1.29 1.16 -0.44 1.53 0.00 -0.35 -0.92 119.26 121.55 1y8i h ALA 110 Ca 0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1y8i h ALA 110 Cb 0.79 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1y8i h ALA 110 CO 0.06 0.53 -0.05 0.28 0.00 0.00 0.00 179.25 180.07 1y8i h VAL 111 N 0.52 1.27 0.00 0.00 2.07 -1.26 -3.19 116.25 115.66 1y8i h VAL 111 Ca 0.09 -1.13 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 1y8i h VAL 111 Cb 0.53 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1y8i h VAL 111 CO 0.03 0.39 -1.35 1.41 0.02 0.00 0.00 177.57 178.06 1y8i n HIS 112 N -4.34 0.90 -2.89 1.57 -0.00 -1.09 -4.49 115.22 104.87 1y8i n HIS 112 Ca -0.00 0.29 -0.22 0.00 -0.00 0.00 0.00 57.72 57.78 1y8i n HIS 112 Cb 0.34 -1.02 -0.02 0.00 -0.00 0.00 0.00 29.99 29.29 1y8i n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y8i n LEU 113 N -2.79 3.11 -0.04 2.41 4.77 -0.36 -4.94 117.00 119.16 1y8i n LEU 113 Ca -0.07 -5.15 0.22 0.00 -0.03 0.00 0.00 56.01 50.98 1y8i n LEU 113 Cb 0.75 -0.05 0.70 0.00 -2.33 0.00 0.00 43.42 42.49 1y8i n LEU 113 CO 0.42 2.21 1.20 1.55 -1.33 0.00 0.00 177.39 181.45 1y8i h PRO 114 N 2.91 0.00 0.00 3.23 0.13 -1.76 -1.02 132.00 135.50 1y8i h PRO 114 Ca 0.12 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1y8i h PRO 114 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1y8i h PRO 114 CO 0.69 0.00 -1.12 -0.91 -0.23 0.00 0.00 178.00 176.44 1y8i h ASN 115 N 0.00 0.00 0.12 1.44 2.35 -1.92 -3.36 115.58 114.21 1y8i h ASN 115 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1y8i h ASN 115 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1y8i h ASN 115 CO -0.00 0.36 -1.54 0.47 -1.65 0.00 0.00 177.43 175.06 1y8i n ASP 116 N -2.87 0.40 -3.54 5.81 8.00 -0.94 -4.66 116.55 118.75 1y8i n ASP 116 Ca -0.05 -0.28 -0.41 0.00 0.71 0.00 0.00 54.79 54.77 1y8i n ASP 116 Cb 0.72 1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 43.29 1y8i n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1y8i n PHE 117 N -2.04 2.94 -1.62 1.24 7.35 -0.43 -4.86 117.46 120.04 1y8i n PHE 117 Ca -0.01 -3.00 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1y8i n PHE 117 Cb 0.49 -2.43 0.13 0.00 0.35 0.00 0.00 39.48 38.02 1y8i n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y8i s THR 118 N 2.20 1.98 0.15 -2.13 -4.23 -1.26 -4.75 115.64 107.59 1y8i s THR 118 Ca 0.57 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.90 1y8i s THR 118 Cb 0.16 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.20 1y8i s THR 118 CO -0.07 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.09 1y8i h PRO 119 N -1.47 0.15 -0.44 3.99 0.11 -1.98 0.22 132.00 132.58 1y8i h PRO 119 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1y8i h PRO 119 Cb 1.32 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1y8i h PRO 119 CO 0.60 0.10 0.26 0.00 -0.21 0.00 0.00 178.00 178.75 1y8i h ALA 120 N 1.24 0.55 0.03 -0.75 0.00 -1.98 0.15 119.26 118.50 1y8i h ALA 120 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y8i h ALA 120 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1y8i h ALA 120 CO -0.20 -0.06 -0.01 0.28 0.00 0.00 0.00 179.25 179.26 1y8i h VAL 121 N 0.53 1.10 -0.57 0.00 2.07 -1.80 -2.19 116.25 115.39 1y8i h VAL 121 Ca 0.17 -0.41 0.12 0.00 0.82 0.00 0.00 66.70 67.40 1y8i h VAL 121 Cb 0.00 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 1y8i h VAL 121 CO -0.08 0.10 -0.01 -0.74 0.02 0.00 0.00 177.57 176.87 1y8i h HIS 122 N -0.22 -0.06 -0.27 1.57 6.17 -0.16 0.13 115.15 122.31 1y8i h HIS 122 Ca -0.00 0.04 0.02 0.00 0.71 0.00 0.00 60.37 61.14 1y8i h HIS 122 Cb 0.20 0.11 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 1y8i h HIS 122 CO -0.02 -0.15 0.12 0.00 0.71 0.00 0.00 177.93 178.59 1y8i h ALA 123 N 1.52 0.32 -0.33 5.26 0.00 -0.50 -2.19 119.26 123.35 1y8i h ALA 123 Ca 0.29 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 1y8i h ALA 123 Cb 0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1y8i h ALA 123 CO -0.49 -0.28 -0.12 0.77 0.00 0.00 0.00 179.25 179.13 1y8i h SER 124 N 0.26 0.67 -0.35 0.00 0.02 -0.71 -2.76 113.55 110.67 1y8i h SER 124 Ca 0.12 -0.39 0.07 0.00 -0.84 0.00 0.00 61.79 60.75 1y8i h SER 124 Cb 0.06 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1y8i h SER 124 CO -0.10 0.90 0.24 -0.07 -1.14 0.00 0.00 176.83 176.67 1y8i h LEU 125 N 0.43 0.15 -0.21 5.07 4.07 -0.86 -0.80 115.31 123.15 1y8i h LEU 125 Ca 0.08 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.86 1y8i h LEU 125 Cb 0.63 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1y8i h LEU 125 CO 0.04 0.10 -0.57 -0.78 -1.08 0.00 0.00 178.44 176.15 1y8i h ASP 126 N 0.17 0.86 -0.66 -0.43 1.82 -1.17 -2.03 116.42 115.00 1y8i h ASP 126 Ca 0.16 -0.58 -0.04 0.00 -0.39 0.00 0.00 57.03 56.19 1y8i h ASP 126 Cb 0.42 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1y8i h ASP 126 CO -0.02 1.28 0.26 0.11 -1.61 0.00 0.00 179.24 179.26 1y8i h LYS 127 N 0.48 0.99 -0.47 0.28 6.56 -1.06 -1.98 116.57 121.36 1y8i h LYS 127 Ca -0.01 -0.18 0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1y8i h LYS 127 Cb 1.19 -0.16 -0.04 0.00 -0.57 0.00 0.00 32.23 32.65 1y8i h LYS 127 CO 0.12 0.83 0.24 0.35 -2.06 0.00 0.00 179.45 178.93 1y8i h PHE 128 N 0.93 0.45 -0.04 -1.35 3.57 -1.11 -0.59 116.94 118.79 1y8i h PHE 128 Ca 0.22 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1y8i h PHE 128 Cb 0.21 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1y8i h PHE 128 CO 0.01 0.23 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.76 1y8i h LEU 129 N 0.48 0.10 -0.45 0.59 3.38 -1.14 -1.35 115.31 116.93 1y8i h LEU 129 Ca 0.20 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1y8i h LEU 129 Cb 0.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1y8i h LEU 129 CO -0.14 0.59 -0.64 0.28 0.09 0.00 0.00 178.44 178.61 1y8i h SER 130 N 0.08 0.58 -0.44 -0.43 0.02 -1.10 -1.10 113.55 111.16 1y8i h SER 130 Ca 0.00 -0.34 -0.13 0.00 -0.84 0.00 0.00 61.79 60.48 1y8i h SER 130 Cb 0.91 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1y8i h SER 130 CO 0.07 1.07 -0.21 -1.28 -1.14 0.00 0.00 176.83 175.34 1y8i h SER 131 N 0.37 0.96 0.18 3.07 0.87 -0.87 -0.41 113.55 117.72 1y8i h SER 131 Ca -0.01 -0.36 -0.16 0.00 -1.23 0.00 0.00 61.79 60.03 1y8i h SER 131 Cb 1.21 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 1y8i h SER 131 CO 0.12 1.13 -0.61 0.58 -0.53 0.00 0.00 176.83 177.52 1y8i h VAL 132 N 0.82 1.35 -0.20 2.23 2.07 -1.15 -2.98 116.25 118.39 1y8i h VAL 132 Ca 0.11 -1.92 -0.12 0.00 0.82 0.00 0.00 66.70 65.59 1y8i h VAL 132 Cb 0.77 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1y8i h VAL 132 CO 0.06 0.58 -0.39 0.28 0.02 0.00 0.00 177.57 178.13 1y8i h SER 133 N 0.32 0.47 0.11 0.57 0.02 -0.98 -2.44 113.55 111.62 1y8i h SER 133 Ca -0.01 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1y8i h SER 133 Cb 1.14 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1y8i h SER 133 CO 0.11 0.82 -0.05 0.74 -1.14 0.00 0.00 176.83 177.30 1y8i h THR 134 N 0.38 0.97 -0.29 -2.27 2.02 -0.98 -2.56 112.91 110.17 1y8i h THR 134 Ca 0.04 -0.28 0.05 0.00 0.77 0.00 0.00 66.41 66.98 1y8i h THR 134 Cb 0.85 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 1y8i h THR 134 CO 0.07 0.07 0.03 0.58 0.37 0.00 0.00 175.52 176.64 1y8i h VAL 135 N -0.28 0.83 0.00 3.16 2.07 -1.44 -2.16 116.25 118.43 1y8i h VAL 135 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1y8i h VAL 135 Cb 0.23 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1y8i h VAL 135 CO 0.02 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.82 1y8i n LEU 136 N -5.12 0.60 -0.00 2.57 4.77 -0.93 -2.86 117.00 116.04 1y8i n LEU 136 Ca -0.00 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.72 1y8i n LEU 136 Cb 0.14 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.52 1y8i n LEU 136 CO 0.25 -0.59 -0.27 0.35 -1.33 0.00 0.00 177.39 175.80 1y8i n THR 137 N -2.19 0.00 -2.94 -5.08 -2.24 -0.97 -3.83 114.28 97.04 1y8i n THR 137 Ca 0.02 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1y8i n THR 137 Cb 0.20 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.06 1y8i n THR 137 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1y8i s SER 138 N -2.99 7.27 -0.90 3.42 0.15 -0.85 -4.85 113.70 114.95 1y8i s SER 138 Ca 0.02 1.65 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1y8i s SER 138 Cb 0.11 -2.50 0.30 0.00 -1.71 0.00 0.00 66.02 62.22 1y8i s SER 138 CO 0.66 0.05 1.28 0.29 1.20 0.00 0.00 173.24 176.71 1y8i n LYS 139 N 0.91 3.96 0.00 5.44 5.02 -1.26 -4.83 118.16 127.39 1y8i n LYS 139 Ca -0.02 -4.64 0.00 0.00 -2.02 0.00 0.00 58.31 51.63 1y8i n LYS 139 Cb 0.50 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1y8i n LYS 139 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1y8i n TYR 140 N 0.82 0.00 -0.06 2.13 0.18 -1.26 -5.20 117.16 113.76 1y8i n TYR 140 Ca 0.31 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.09 1y8i n TYR 140 Cb 0.35 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.31 1y8i n TYR 140 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65