#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8i n LEU 2 N 0.00 -7.35 -5.00 7.52 7.99 -1.26 -5.06 117.00 113.84 1y8i n LEU 2 Ca 0.00 1.25 -0.22 0.00 -0.01 0.00 0.00 56.01 57.03 1y8i n LEU 2 Cb 0.00 -3.09 0.09 0.00 -0.11 0.00 0.00 43.42 40.31 1y8i n LEU 2 CO 0.00 -2.84 0.49 -0.94 -1.51 0.00 0.00 177.39 172.59 1y8i s SER 3 N -1.48 4.57 0.18 -1.43 1.04 -1.26 -4.88 113.70 110.43 1y8i s SER 3 Ca 0.01 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.82 1y8i s SER 3 Cb -0.00 0.02 0.15 0.00 0.10 0.00 0.00 66.02 66.29 1y8i s SER 3 CO 0.70 -1.71 1.69 0.00 0.98 0.00 0.00 173.24 174.90 1y8i h ALA 4 N -0.33 0.41 -0.61 5.32 0.00 -2.00 -2.13 119.26 119.92 1y8i h ALA 4 Ca -0.35 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1y8i h ALA 4 Cb 1.27 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1y8i h ALA 4 CO 0.41 -0.40 0.15 0.00 0.00 0.00 0.00 179.25 179.41 1y8i h ALA 5 N 1.41 1.12 -0.25 0.00 0.00 -2.00 -2.66 119.26 116.88 1y8i h ALA 5 Ca 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1y8i h ALA 5 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1y8i h ALA 5 CO -0.38 0.59 0.08 -0.44 0.00 0.00 0.00 179.25 179.09 1y8i h ASP 6 N 0.91 0.36 -0.72 0.00 3.32 -1.78 -2.49 116.42 116.01 1y8i h ASP 6 Ca 0.20 -0.20 0.10 0.00 0.02 0.00 0.00 57.03 57.14 1y8i h ASP 6 Cb 0.32 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 1y8i h ASP 6 CO -0.00 0.46 0.36 0.11 -1.72 0.00 0.00 179.24 178.45 1y8i h LYS 7 N 0.23 0.58 -0.82 3.56 1.57 -1.27 0.30 116.57 120.72 1y8i h LYS 7 Ca 0.08 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1y8i h LYS 7 Cb 0.23 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1y8i h LYS 7 CO -0.00 0.38 0.43 1.15 -0.57 0.00 0.00 179.45 180.84 1y8i h THR 8 N 0.59 1.25 -0.29 -0.16 2.02 -1.33 -0.02 112.91 114.96 1y8i h THR 8 Ca 0.36 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.81 1y8i h THR 8 Cb 0.40 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1y8i h THR 8 CO -0.28 0.28 -0.15 0.78 0.37 0.00 0.00 175.52 176.52 1y8i h ASN 9 N 1.15 0.63 0.43 4.18 -0.26 -0.69 -1.42 115.58 119.60 1y8i h ASN 9 Ca 0.29 -0.41 -0.02 0.00 -0.56 0.00 0.00 56.30 55.59 1y8i h ASN 9 Cb 0.06 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1y8i h ASN 9 CO -0.04 0.91 -0.21 0.58 -1.06 0.00 0.00 177.43 177.61 1y8i h VAL 10 N 0.36 0.58 -0.64 2.81 2.07 -0.18 0.42 116.25 121.67 1y8i h VAL 10 Ca 0.06 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1y8i h VAL 10 Cb 0.67 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1y8i h VAL 10 CO 0.04 0.02 0.35 0.11 0.02 0.00 0.00 177.57 178.11 1y8i h LYS 11 N -0.63 0.63 -0.21 1.57 1.57 -1.04 0.37 116.57 118.84 1y8i h LYS 11 Ca -0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1y8i h LYS 11 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1y8i h LYS 11 CO 0.10 0.42 0.02 0.00 -0.57 0.00 0.00 179.45 179.42 1y8i h ALA 12 N 1.33 0.27 -0.51 3.86 0.00 -1.10 -2.60 119.26 120.51 1y8i h ALA 12 Ca 0.28 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1y8i h ALA 12 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1y8i h ALA 12 CO -0.18 -0.04 0.01 0.00 0.00 0.00 0.00 179.25 179.04 1y8i h ALA 13 N 0.82 1.06 0.00 0.00 0.00 0.24 -2.16 119.26 119.22 1y8i h ALA 13 Ca 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1y8i h ALA 13 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1y8i h ALA 13 CO 0.01 0.59 -0.32 2.35 0.00 0.00 0.00 179.25 181.88 1y8i h TRP 14 N 0.79 0.00 -0.82 0.00 2.91 -0.92 -1.50 115.95 116.41 1y8i h TRP 14 Ca 0.15 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 1y8i h TRP 14 Cb 0.46 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.08 1y8i h TRP 14 CO 0.03 0.32 0.44 1.03 -1.03 0.00 0.00 178.44 179.23 1y8i h SER 15 N 0.00 1.03 0.77 2.65 0.87 -0.99 -0.64 113.55 117.24 1y8i h SER 15 Ca -0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 1y8i h SER 15 Cb 0.67 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1y8i h SER 15 CO 0.04 0.84 -0.17 0.11 -0.53 0.00 0.00 176.83 177.12 1y8i h LYS 16 N 1.15 0.00 -0.06 2.24 1.79 -1.05 -2.66 116.57 117.98 1y8i h LYS 16 Ca 0.29 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.55 1y8i h LYS 16 Cb 0.04 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1y8i h LYS 16 CO -0.05 0.17 -0.76 0.28 -1.08 0.00 0.00 179.45 178.01 1y8i h VAL 17 N 0.00 1.33 0.00 0.50 2.07 -0.88 -3.48 116.25 115.79 1y8i h VAL 17 Ca -0.00 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 1y8i h VAL 17 Cb 0.60 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1y8i h VAL 17 CO 0.02 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1y8i n GLY 18 N 0.90 3.55 0.89 2.17 0.00 -0.37 -2.61 105.19 109.72 1y8i n GLY 18 Ca -0.09 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 1.31 0.57 -0.02 0.00 -1.26 -3.77 105.19 102.01 1y8i n GLY 19 Ca 0.00 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.54 0.12 -0.19 1.61 8.25 -1.07 -4.23 115.22 120.25 1y8i n HIS 20 Ca 0.14 -0.06 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 1y8i n HIS 20 Cb 0.47 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.60 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 4.23 0.09 -0.55 -1.41 0.00 -1.76 0.11 119.26 119.97 1y8i h ALA 21 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1y8i h ALA 21 Cb 0.54 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1y8i h ALA 21 CO 0.00 -0.60 0.19 0.78 0.00 0.00 0.00 179.25 179.63 1y8i h GLY 22 N -0.13 0.74 1.43 0.00 0.00 -1.83 -0.24 103.07 103.05 1y8i h GLY 22 Ca 0.25 -0.10 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1y8i h GLY 22 CO -0.64 -0.01 -0.29 0.83 0.00 0.00 0.00 176.54 176.43 1y8i h GLU 23 N 0.37 0.65 -0.19 4.80 5.08 -1.43 -2.62 114.58 121.23 1y8i h GLU 23 Ca 0.27 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1y8i h GLU 23 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1y8i h GLU 23 CO -0.28 0.86 -0.46 1.88 -1.00 0.00 0.00 179.01 180.01 1y8i h TYR 24 N 0.56 0.59 -0.72 4.33 0.05 -0.35 -1.66 116.97 119.77 1y8i h TYR 24 Ca 0.07 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.60 1y8i h TYR 24 Cb 0.77 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1y8i h TYR 24 CO 0.03 0.86 0.19 0.78 -1.05 0.00 0.00 178.16 178.98 1y8i h GLY 25 N 1.12 1.22 0.86 3.88 0.00 -0.92 0.58 103.07 109.81 1y8i h GLY 25 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1y8i h GLY 25 CO 0.08 0.70 0.02 0.00 0.00 0.00 0.00 176.54 177.35 1y8i h ALA 26 N 1.10 0.35 -0.64 3.60 0.00 -1.22 -1.80 119.26 120.65 1y8i h ALA 26 Ca 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1y8i h ALA 26 Cb 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1y8i h ALA 26 CO -0.00 0.06 0.23 1.49 0.00 0.00 0.00 179.25 181.03 1y8i h GLU 27 N 0.24 0.97 -0.37 0.00 4.81 -1.09 -1.66 114.58 117.49 1y8i h GLU 27 Ca 0.08 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1y8i h GLU 27 Cb 0.37 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1y8i h GLU 27 CO 0.01 0.83 0.15 0.00 -0.73 0.00 0.00 179.01 179.27 1y8i h ALA 28 N 1.09 0.44 -0.17 2.92 0.00 -0.79 -0.33 119.26 122.42 1y8i h ALA 28 Ca 0.21 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1y8i h ALA 28 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1y8i h ALA 28 CO -0.01 -0.23 0.07 -0.07 0.00 0.00 0.00 179.25 179.00 1y8i h LEU 29 N 0.32 0.09 -1.07 0.00 3.38 -0.99 -0.54 115.31 116.50 1y8i h LEU 29 Ca 0.16 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1y8i h LEU 29 Cb 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1y8i h LEU 29 CO -0.15 0.08 0.63 -0.08 0.09 0.00 0.00 178.44 179.01 1y8i h GLU 30 N 0.16 1.19 -0.29 1.13 4.81 -0.93 0.51 114.58 121.15 1y8i h GLU 30 Ca 0.07 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1y8i h GLU 30 Cb 0.03 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1y8i h GLU 30 CO -0.07 0.78 -0.20 0.00 -0.73 0.00 0.00 179.01 178.79 1y8i h ARG 31 N 1.22 0.54 -0.04 1.92 3.08 -0.57 -2.31 114.38 118.23 1y8i h ARG 31 Ca 0.37 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1y8i h ARG 31 Cb -0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1y8i h ARG 31 CO -0.11 0.72 -0.03 1.98 -1.07 0.00 0.00 179.97 181.46 1y8i h MET 32 N 0.49 0.08 -0.78 0.04 4.05 0.23 0.21 114.93 119.25 1y8i h MET 32 Ca 0.08 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1y8i h MET 32 Cb 0.62 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.37 1y8i h MET 32 CO 0.04 0.51 0.47 0.74 0.23 0.00 0.00 176.91 178.91 1y8i h PHE 33 N -0.35 0.88 0.11 1.39 0.04 -0.91 0.78 116.94 118.87 1y8i h PHE 33 Ca 0.01 0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.54 1y8i h PHE 33 Cb 0.49 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1y8i h PHE 33 CO 0.08 0.45 -1.19 -0.07 -0.60 0.00 0.00 178.31 176.98 1y8i h LEU 34 N 0.88 0.37 0.10 1.54 4.07 -1.44 -3.31 115.31 117.52 1y8i h LEU 34 Ca 0.34 -0.39 -0.29 0.00 0.08 0.00 0.00 57.88 57.61 1y8i h LEU 34 Cb 0.15 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1y8i h LEU 34 CO -0.16 1.30 -1.48 1.23 -1.08 0.00 0.00 178.44 178.24 1y8i h GLY 35 N 1.77 0.24 -6.74 0.83 0.00 -0.27 -3.42 103.07 95.49 1y8i h GLY 35 Ca -0.11 -0.62 -0.60 0.00 0.00 0.00 0.00 47.33 45.99 1y8i h GLY 35 CO 0.19 0.54 -0.79 -1.36 0.00 0.00 0.00 176.54 175.13 1y8i s PHE 36 N -2.63 2.13 0.32 5.60 0.40 0.27 -5.01 117.98 119.06 1y8i s PHE 36 Ca -0.08 -2.69 0.07 0.00 -0.60 0.00 0.00 56.93 53.64 1y8i s PHE 36 Cb 0.07 -1.73 0.89 0.00 0.51 0.00 0.00 43.02 42.77 1y8i s PHE 36 CO 0.85 -0.72 1.60 -1.35 0.70 0.00 0.00 175.22 176.30 1y8i h PRO 37 N 5.79 0.07 -0.69 0.24 0.11 -1.74 -1.20 132.00 134.58 1y8i h PRO 37 Ca 0.17 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.48 1y8i h PRO 37 Cb 0.86 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1y8i h PRO 37 CO 0.51 0.05 0.80 1.79 -0.21 0.00 0.00 178.00 180.94 1y8i h THR 38 N 0.07 0.19 0.00 -1.15 1.35 -1.92 0.21 112.91 111.65 1y8i h THR 38 Ca 0.65 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.51 1y8i h THR 38 Cb 1.45 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1y8i h THR 38 CO -0.80 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 174.82 1y8i n THR 39 N -3.47 0.30 0.34 6.82 -2.24 -0.45 -3.37 114.28 112.20 1y8i n THR 39 Ca 0.15 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 61.95 1y8i n THR 39 Cb 1.04 -0.55 0.61 0.00 -2.10 0.00 0.00 70.33 69.33 1y8i n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1y8i h LYS 40 N 0.00 0.00 -0.80 -0.78 1.57 -0.78 -3.20 116.57 112.58 1y8i h LYS 40 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1y8i h LYS 40 Cb 0.61 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 1y8i h LYS 40 CO 0.00 0.00 0.45 1.15 -0.57 0.00 0.00 179.45 180.48 1y8i h THR 41 N 0.00 0.89 0.00 -0.16 2.02 -1.73 -2.54 112.91 111.39 1y8i h THR 41 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1y8i h THR 41 Cb 0.42 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1y8i h THR 41 CO 0.00 0.14 0.00 -1.22 0.37 0.00 0.00 175.52 174.81 1y8i n TYR 42 N -4.77 0.00 -2.83 3.16 4.01 -1.21 -3.90 117.16 111.62 1y8i n TYR 42 Ca 0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.65 1y8i n TYR 42 Cb 0.28 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.21 2.53 -0.01 -0.72 3.01 -0.96 -4.91 117.46 115.18 1y8i n PHE 43 Ca 0.11 -3.52 0.11 0.00 1.01 0.00 0.00 57.45 55.17 1y8i n PHE 43 Cb 0.14 -0.35 0.54 0.00 -0.01 0.00 0.00 39.48 39.80 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 2.88 0.31 -0.01 -1.08 0.11 -1.73 -1.94 132.00 130.55 1y8i h PRO 44 Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1y8i h PRO 44 Cb 0.83 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1y8i h PRO 44 CO 0.70 0.20 -0.10 -2.39 -0.21 0.00 0.00 178.00 176.21 1y8i n HIS 45 N -4.47 0.00 -3.00 0.65 1.44 -1.26 -4.94 115.22 103.65 1y8i n HIS 45 Ca 0.07 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.51 1y8i n HIS 45 Cb 0.33 -0.08 -0.02 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 -2.25 3.51 -0.65 -1.40 0.40 -0.73 -5.04 117.98 111.82 1y8i s PHE 46 Ca 0.33 0.73 -0.17 0.00 -0.60 0.00 0.00 56.93 57.22 1y8i s PHE 46 Cb 0.20 -2.20 0.14 0.00 0.51 0.00 0.00 43.02 41.67 1y8i s PHE 46 CO 0.42 -0.05 0.68 0.34 0.70 0.00 0.00 175.22 177.31 1y8i s ASP 47 N -3.66 6.35 -0.04 1.36 2.15 -1.26 -4.92 116.67 116.65 1y8i s ASP 47 Ca 0.46 -1.89 0.03 0.00 0.43 0.00 0.00 52.55 51.58 1y8i s ASP 47 Cb -0.10 -2.26 0.14 0.00 -0.30 0.00 0.00 42.92 40.41 1y8i s ASP 47 CO 0.37 -0.90 0.78 0.18 -0.17 0.00 0.00 175.17 175.43 1y8i n LEU 48 N 5.43 1.69 -4.81 -1.34 4.32 -1.26 -4.60 117.00 116.43 1y8i n LEU 48 Ca -0.04 -0.85 -0.34 0.00 -0.02 0.00 0.00 56.01 54.77 1y8i n LEU 48 Cb 0.43 -0.47 -0.04 0.00 -1.62 0.00 0.00 43.42 41.72 1y8i n LEU 48 CO 0.51 0.30 0.69 -0.94 -1.22 0.00 0.00 177.39 176.73 1y8i s SER 49 N -0.27 6.53 -0.19 -1.43 1.04 -1.26 -4.93 113.70 113.18 1y8i s SER 49 Ca 0.10 1.83 -0.34 0.00 0.48 0.00 0.00 55.95 58.02 1y8i s SER 49 Cb 0.07 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.54 1y8i s SER 49 CO 0.03 -0.65 2.03 1.57 0.98 0.00 0.00 173.24 177.20 1y8i n HIS 50 N -0.92 2.05 0.00 5.02 -0.00 -1.26 -1.27 115.22 118.84 1y8i n HIS 50 Ca 0.08 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.33 1y8i n HIS 50 Cb 0.53 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.77 1y8i n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y8i n GLY 51 N 5.25 0.83 3.51 1.57 0.00 -1.26 -5.07 105.19 110.02 1y8i n GLY 51 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -0.10 0.15 1.61 2.88 -0.40 -4.89 113.62 112.88 1y8i n SER 52 Ca 0.00 0.96 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 1y8i n SER 52 Cb 0.00 -1.20 0.08 0.00 -0.75 0.00 0.00 64.21 62.35 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 1.06 0.72 0.06 -1.46 0.00 -1.91 -2.82 119.26 114.90 1y8i h ALA 53 Ca -0.41 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1y8i h ALA 53 Cb 1.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1y8i h ALA 53 CO 0.54 0.00 -0.45 1.96 0.00 0.00 0.00 179.25 181.30 1y8i h GLN 54 N 0.00 0.20 0.36 0.00 4.20 -1.90 -2.50 115.11 115.48 1y8i h GLN 54 Ca 0.00 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.40 1y8i h GLN 54 Cb 0.99 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.87 1y8i h GLN 54 CO 0.00 1.09 -0.17 0.28 -0.67 0.00 0.00 178.83 179.36 1y8i h VAL 55 N -0.55 0.64 -0.85 -0.54 2.07 -1.82 0.27 116.25 115.49 1y8i h VAL 55 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1y8i h VAL 55 Cb 1.30 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 1y8i h VAL 55 CO 0.09 0.00 0.50 0.50 0.02 0.00 0.00 177.57 178.67 1y8i h LYS 56 N -0.49 0.83 -0.36 1.57 3.64 -1.63 0.42 116.57 120.55 1y8i h LYS 56 Ca -0.05 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1y8i h LYS 56 Cb 0.37 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1y8i h LYS 56 CO 0.08 0.55 0.04 0.00 -2.27 0.00 0.00 179.45 177.85 1y8i h ALA 57 N 1.45 0.48 -0.53 5.00 0.00 -1.10 -2.48 119.26 122.09 1y8i h ALA 57 Ca 0.40 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1y8i h ALA 57 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1y8i h ALA 57 CO -0.23 0.21 0.01 1.25 0.00 0.00 0.00 179.25 180.49 1y8i h HIS 58 N 0.44 1.01 -0.82 0.00 -0.00 0.30 -2.29 115.15 113.79 1y8i h HIS 58 Ca 0.11 -0.17 0.15 0.00 -0.00 0.00 0.00 60.37 60.46 1y8i h HIS 58 Cb 0.39 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.48 1y8i h HIS 58 CO 0.03 0.92 0.54 0.78 -0.00 0.00 0.00 177.93 180.20 1y8i h GLY 59 N 0.81 0.91 1.04 5.26 0.00 0.00 0.21 103.07 111.29 1y8i h GLY 59 Ca 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1y8i h GLY 59 CO 0.02 0.07 0.10 1.70 0.00 0.00 0.00 176.54 178.43 1y8i h LYS 60 N 0.52 1.00 -0.44 4.80 1.63 -0.95 -0.66 116.57 122.47 1y8i h LYS 60 Ca 0.41 -0.27 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1y8i h LYS 60 Cb 0.83 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1y8i h LYS 60 CO -0.16 0.94 0.27 0.87 -3.45 0.00 0.00 179.45 177.92 1y8i h LYS 61 N 0.90 0.59 -0.80 1.90 1.79 -0.40 -2.04 116.57 118.50 1y8i h LYS 61 Ca 0.18 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 1y8i h LYS 61 Cb 0.42 -0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1y8i h LYS 61 CO 0.01 0.43 0.33 0.28 -1.08 0.00 0.00 179.45 179.42 1y8i h VAL 62 N 0.58 1.26 -0.02 0.50 2.07 -1.02 -2.24 116.25 117.38 1y8i h VAL 62 Ca 0.16 -0.80 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1y8i h VAL 62 Cb -0.02 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1y8i h VAL 62 CO -0.03 0.33 -0.02 1.23 0.02 0.00 0.00 177.57 179.10 1y8i h GLY 63 N 1.17 0.01 1.65 2.17 0.00 -0.59 -1.49 103.07 105.98 1y8i h GLY 63 Ca 0.27 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.51 1y8i h GLY 63 CO -0.02 -0.02 -0.34 -0.55 0.00 0.00 0.00 176.54 175.60 1y8i h ASP 64 N -0.02 0.41 -0.56 0.19 3.32 -1.33 -1.83 116.42 116.60 1y8i h ASP 64 Ca 0.02 -0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1y8i h ASP 64 Cb 0.04 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1y8i h ASP 64 CO -0.03 0.73 0.36 0.00 -1.72 0.00 0.00 179.24 178.58 1y8i h ALA 65 N 1.30 0.71 -0.32 3.45 0.00 -1.13 0.28 119.26 123.55 1y8i h ALA 65 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1y8i h ALA 65 Cb 0.77 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1y8i h ALA 65 CO 0.06 0.12 -0.29 -0.07 0.00 0.00 0.00 179.25 179.08 1y8i h LEU 66 N 0.74 0.68 -0.85 0.00 3.38 -1.02 -1.76 115.31 116.48 1y8i h LEU 66 Ca 0.21 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1y8i h LEU 66 Cb -0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1y8i h LEU 66 CO -0.06 0.94 -0.03 0.74 0.09 0.00 0.00 178.44 180.12 1y8i h THR 67 N 0.57 1.25 -0.04 0.22 2.02 -0.65 -1.63 112.91 114.65 1y8i h THR 67 Ca 0.07 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1y8i h THR 67 Cb 0.78 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1y8i h THR 67 CO 0.06 0.37 0.02 0.25 0.37 0.00 0.00 175.52 176.60 1y8i h LEU 68 N 0.77 0.05 -0.84 2.58 6.46 -0.13 -2.87 115.31 121.32 1y8i h LEU 68 Ca 0.14 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1y8i h LEU 68 Cb 0.50 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1y8i h LEU 68 CO 0.03 0.09 0.54 0.00 -0.62 0.00 0.00 178.44 178.47 1y8i h ALA 69 N 0.96 1.07 -0.03 1.25 0.00 -1.10 -1.48 119.26 119.93 1y8i h ALA 69 Ca 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y8i h ALA 69 Cb 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1y8i h ALA 69 CO -0.00 0.51 0.10 0.28 0.00 0.00 0.00 179.25 180.13 1y8i h VAL 70 N 1.15 0.16 -0.25 0.00 2.07 -1.09 0.70 116.25 118.99 1y8i h VAL 70 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1y8i h VAL 70 Cb -0.09 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1y8i h VAL 70 CO -0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.14 1y8i n GLY 71 N -1.20 1.18 2.67 2.17 0.00 -0.56 -4.36 105.19 105.08 1y8i n GLY 71 Ca -0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 1.14 0.66 0.30 1.61 -0.00 0.23 -4.92 115.22 114.24 1y8i n HIS 72 Ca 0.18 -2.67 0.17 0.00 -0.00 0.00 0.00 57.72 55.40 1y8i n HIS 72 Cb 0.53 -0.11 0.75 0.00 -0.00 0.00 0.00 29.99 31.16 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 2.86 0.00 0.00 2.41 3.38 -1.73 -2.40 115.31 119.83 1y8i h LEU 73 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1y8i h LEU 73 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1y8i h LEU 73 CO 0.42 0.00 -0.28 0.44 0.09 0.00 0.00 178.44 179.11 1y8i h ASP 74 N 0.00 0.00 -1.07 -0.43 3.32 -1.91 -3.39 116.42 112.94 1y8i h ASP 74 Ca 0.00 -0.07 -0.39 0.00 0.02 0.00 0.00 57.03 56.60 1y8i h ASP 74 Cb 0.38 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.65 1y8i h ASP 74 CO 0.00 0.03 -0.84 -0.67 -1.72 0.00 0.00 179.24 176.05 1y8i n ASP 75 N -2.38 -0.95 -0.16 6.45 2.03 -0.93 -4.97 116.55 115.64 1y8i n ASP 75 Ca 0.04 -3.16 -0.04 0.00 0.52 0.00 0.00 54.79 52.15 1y8i n ASP 75 Cb 0.46 0.54 0.15 0.00 -0.72 0.00 0.00 41.12 41.55 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 3.50 0.85 -2.26 -2.67 3.38 -1.70 -2.55 115.31 113.86 1y8i h LEU 76 Ca -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1y8i h LEU 76 Cb 0.99 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1y8i h LEU 76 CO 0.36 0.83 -0.01 -0.65 0.09 0.00 0.00 178.44 179.07 1y8i h PRO 77 N 0.87 0.00 0.00 1.13 0.11 -1.93 -1.87 132.00 130.31 1y8i h PRO 77 Ca 0.19 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.17 1y8i h PRO 77 Cb 0.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1y8i h PRO 77 CO 0.00 0.01 -0.77 0.78 -0.21 0.00 0.00 178.00 177.81 1y8i h GLY 78 N 0.05 0.00 2.00 -0.55 0.00 -1.87 -2.98 103.07 99.72 1y8i h GLY 78 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1y8i h GLY 78 CO 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.37 1y8i h ALA 79 N -0.48 1.62 -0.03 3.60 0.00 -1.45 -2.73 119.26 119.78 1y8i h ALA 79 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1y8i h ALA 79 Cb 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1y8i h ALA 79 CO -0.12 0.21 -0.07 1.28 0.00 0.00 0.00 179.25 180.55 1y8i n LEU 80 N -4.19 2.71 -0.29 0.00 4.77 -0.71 -4.67 117.00 114.63 1y8i n LEU 80 Ca -0.02 -0.96 0.20 0.00 -0.03 0.00 0.00 56.01 55.19 1y8i n LEU 80 Cb 0.24 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 41.70 1y8i n LEU 80 CO 0.35 0.46 0.79 -0.24 -1.33 0.00 0.00 177.39 177.43 1y8i n SER 81 N 1.05 0.09 0.10 -1.43 2.88 -1.03 -0.70 113.62 114.58 1y8i n SER 81 Ca 0.12 1.45 -0.13 0.00 -1.33 0.00 0.00 58.87 58.98 1y8i n SER 81 Cb 0.54 -0.61 -0.08 0.00 -0.75 0.00 0.00 64.21 63.30 1y8i n SER 81 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1y8i h ASP 82 N 0.00 -0.20 -0.21 -3.46 2.03 -1.83 -2.61 116.42 110.14 1y8i h ASP 82 Ca 0.62 -0.21 0.04 0.00 -0.73 0.00 0.00 57.03 56.75 1y8i h ASP 82 Cb 1.49 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 40.03 1y8i h ASP 82 CO -0.74 0.10 0.14 -0.07 -1.03 0.00 0.00 179.24 177.65 1y8i h LEU 83 N -0.51 0.11 -0.29 0.15 4.07 -1.26 -1.12 115.31 116.46 1y8i h LEU 83 Ca -0.02 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 1y8i h LEU 83 Cb 0.39 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 1y8i h LEU 83 CO 0.04 0.07 -0.00 -1.28 -1.08 0.00 0.00 178.44 176.19 1y8i h SER 84 N 0.13 0.50 -0.63 -0.43 0.87 -1.22 -0.35 113.55 112.41 1y8i h SER 84 Ca 0.09 -0.31 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1y8i h SER 84 Cb 0.21 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1y8i h SER 84 CO -0.01 0.69 0.18 -1.13 -0.53 0.00 0.00 176.83 176.03 1y8i h ASN 85 N 0.30 0.95 0.13 6.23 -0.00 -0.91 -0.95 115.58 121.33 1y8i h ASN 85 Ca 0.08 -0.18 -0.01 0.00 -0.00 0.00 0.00 56.30 56.20 1y8i h ASN 85 Cb 0.44 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1y8i h ASN 85 CO 0.02 0.90 -0.06 0.25 -0.00 0.00 0.00 177.43 178.54 1y8i h LEU 86 N 0.98 -0.14 -0.11 0.34 5.85 -1.00 -1.80 115.31 119.42 1y8i h LEU 86 Ca 0.21 -0.23 -0.24 0.00 0.84 0.00 0.00 57.88 58.46 1y8i h LEU 86 Cb 0.31 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1y8i h LEU 86 CO -0.00 0.16 -0.94 0.45 -0.34 0.00 0.00 178.44 177.77 1y8i h HIS 87 N -0.46 0.93 0.14 1.25 3.86 -1.02 0.20 115.15 120.05 1y8i h HIS 87 Ca -0.02 -0.47 -0.36 0.00 -1.16 0.00 0.00 60.37 58.36 1y8i h HIS 87 Cb 0.37 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1y8i h HIS 87 CO 0.02 1.30 -1.92 0.00 0.86 0.00 0.00 177.93 178.19 1y8i h ALA 88 N 0.55 0.37 0.00 2.45 0.00 -1.17 -0.47 119.26 120.99 1y8i h ALA 88 Ca -0.09 -1.32 -0.22 0.00 0.00 0.00 0.00 54.91 53.28 1y8i h ALA 88 Cb 1.57 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.96 1y8i h ALA 88 CO 0.18 1.24 -1.26 1.58 0.00 0.00 0.00 179.25 181.00 1y8i n HIS 89 N -3.50 0.91 -0.03 0.00 -0.00 -0.84 -3.87 115.22 107.89 1y8i n HIS 89 Ca -0.29 0.40 -0.06 0.00 -0.00 0.00 0.00 57.72 57.76 1y8i n HIS 89 Cb 1.06 -1.04 -0.05 0.00 -0.00 0.00 0.00 29.99 29.96 1y8i n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1y8i h LYS 90 N -1.00 -0.06 0.01 1.57 1.63 -1.28 -3.39 116.57 114.04 1y8i h LYS 90 Ca -0.33 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.26 1y8i h LYS 90 Cb 1.21 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 1y8i h LYS 90 CO -0.20 0.28 -1.10 -0.07 -3.45 0.00 0.00 179.45 174.91 1y8i h LEU 91 N -0.99 0.02 -2.27 5.20 3.38 -0.74 -3.49 115.31 116.42 1y8i h LEU 91 Ca -0.01 -0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 1y8i h LEU 91 Cb 0.37 -0.01 0.14 0.00 0.09 0.00 0.00 40.66 41.25 1y8i h LEU 91 CO 0.01 1.02 -0.85 0.54 0.09 0.00 0.00 178.44 179.25 1y8i n ARG 92 N -3.32 -3.59 -2.60 1.13 1.74 -0.30 -4.95 116.66 104.77 1y8i n ARG 92 Ca -0.03 0.73 -0.40 0.00 -0.77 0.00 0.00 57.85 57.39 1y8i n ARG 92 Cb 0.96 -5.37 -0.05 0.00 -1.02 0.00 0.00 32.46 26.97 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 -3.46 3.77 -0.01 1.55 1.01 -0.51 -4.99 120.40 117.75 1y8i s VAL 93 Ca 0.26 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 1y8i s VAL 93 Cb -0.05 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 1y8i s VAL 93 CO 0.78 0.35 1.29 -0.62 0.00 0.00 0.00 175.10 176.90 1y8i s ASP 94 N -1.11 6.97 0.52 3.32 -1.08 -1.26 -4.90 116.67 119.12 1y8i s ASP 94 Ca 0.45 1.98 0.30 0.00 -0.52 0.00 0.00 52.55 54.76 1y8i s ASP 94 Cb -0.28 -2.56 1.44 0.00 -1.46 0.00 0.00 42.92 40.06 1y8i s ASP 94 CO 0.35 -0.63 1.88 1.55 0.52 0.00 0.00 175.17 178.84 1y8i h PRO 95 N 7.50 0.04 -0.93 4.34 0.13 -1.97 -1.17 132.00 139.94 1y8i h PRO 95 Ca -0.37 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1y8i h PRO 95 Cb 1.18 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 1y8i h PRO 95 CO 0.88 0.03 0.60 0.28 -0.23 0.00 0.00 178.00 179.56 1y8i h VAL 96 N 0.05 1.04 -0.68 1.56 2.07 -2.02 -1.70 116.25 116.56 1y8i h VAL 96 Ca 0.44 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.73 1y8i h VAL 96 Cb 1.69 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1y8i h VAL 96 CO -0.03 0.19 0.45 0.78 0.02 0.00 0.00 177.57 178.98 1y8i h ASN 97 N 1.03 0.39 0.28 0.57 2.35 -1.60 -1.18 115.58 117.42 1y8i h ASN 97 Ca 0.41 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.12 1y8i h ASN 97 Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1y8i h ASN 97 CO -0.16 0.22 -0.24 -0.26 -1.65 0.00 0.00 177.43 175.33 1y8i h PHE 98 N 0.42 0.00 -0.04 1.19 0.04 -1.45 -1.49 116.94 115.62 1y8i h PHE 98 Ca 0.32 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.91 1y8i h PHE 98 Cb 0.68 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.82 1y8i h PHE 98 CO -0.00 0.24 -0.76 0.87 -0.60 0.00 0.00 178.31 178.06 1y8i h LYS 99 N 0.00 0.25 -0.16 1.51 1.57 -1.29 -1.97 116.57 116.47 1y8i h LYS 99 Ca -0.00 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1y8i h LYS 99 Cb 0.45 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1y8i h LYS 99 CO 0.03 0.89 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.70 1y8i h LEU 100 N 0.16 0.31 -0.12 2.94 3.38 -1.20 -0.57 115.31 120.22 1y8i h LEU 100 Ca -0.03 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1y8i h LEU 100 Cb 1.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1y8i h LEU 100 CO 0.12 0.60 0.08 0.25 0.09 0.00 0.00 178.44 179.58 1y8i h LEU 101 N 0.02 0.14 -0.64 1.67 5.85 -1.30 0.04 115.31 121.10 1y8i h LEU 101 Ca 0.04 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1y8i h LEU 101 Cb 0.46 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1y8i h LEU 101 CO 0.02 0.11 0.12 0.28 -0.34 0.00 0.00 178.44 178.63 1y8i h SER 102 N 0.15 -0.03 0.35 1.25 0.02 -1.26 0.51 113.55 114.54 1y8i h SER 102 Ca 0.04 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1y8i h SER 102 Cb -0.01 0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1y8i h SER 102 CO -0.01 -0.02 -0.17 -0.74 -1.14 0.00 0.00 176.83 174.76 1y8i h HIS 103 N 0.24 -0.43 -0.31 3.45 -0.00 -0.59 -0.87 115.15 116.64 1y8i h HIS 103 Ca 0.34 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.76 1y8i h HIS 103 Cb 0.53 0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 28.07 1y8i h HIS 103 CO -0.27 -0.21 0.21 0.00 -0.00 0.00 0.00 177.93 177.67 1y8i h LEU 105 N 0.15 0.04 -1.22 0.00 5.85 0.34 -1.67 115.31 118.80 1y8i h LEU 105 Ca 0.14 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1y8i h LEU 105 Cb 0.36 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1y8i h LEU 105 CO -0.02 0.59 0.53 -0.07 -0.34 0.00 0.00 178.44 179.12 1y8i h LEU 106 N -0.51 0.91 -1.39 2.25 3.38 -0.60 0.16 115.31 119.52 1y8i h LEU 106 Ca 0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1y8i h LEU 106 Cb 0.58 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1y8i h LEU 106 CO 0.00 0.65 -0.24 0.28 0.09 0.00 0.00 178.44 179.23 1y8i h SER 107 N 1.07 0.10 -0.14 -0.43 0.02 -0.96 -0.23 113.55 112.98 1y8i h SER 107 Ca 0.30 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 1y8i h SER 107 Cb -0.11 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1y8i h SER 107 CO -0.07 0.34 -0.29 0.74 -1.14 0.00 0.00 176.83 176.42 1y8i h THR 108 N 0.09 1.36 -0.28 -2.27 2.02 -0.05 -2.87 112.91 110.91 1y8i h THR 108 Ca 0.02 -1.55 -0.02 0.00 0.77 0.00 0.00 66.41 65.62 1y8i h THR 108 Cb 0.48 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1y8i h THR 108 CO 0.03 0.46 0.07 -0.07 0.37 0.00 0.00 175.52 176.38 1y8i h LEU 109 N 0.06 0.37 -1.12 2.58 4.07 -0.63 -1.77 115.31 118.87 1y8i h LEU 109 Ca 0.00 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.84 1y8i h LEU 109 Cb 0.88 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1y8i h LEU 109 CO 0.06 0.38 -0.24 0.00 -1.08 0.00 0.00 178.44 177.56 1y8i h ALA 110 N 1.68 1.26 -0.23 1.53 0.00 -0.99 -1.23 119.26 121.28 1y8i h ALA 110 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1y8i h ALA 110 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1y8i h ALA 110 CO -0.00 0.49 -0.06 0.28 0.00 0.00 0.00 179.25 179.96 1y8i h VAL 111 N 0.29 1.29 0.00 0.00 2.07 -1.11 -3.18 116.25 115.61 1y8i h VAL 111 Ca 0.05 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 1y8i h VAL 111 Cb 0.59 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1y8i h VAL 111 CO 0.04 0.33 -1.38 1.41 0.02 0.00 0.00 177.57 177.99 1y8i n HIS 112 N -4.58 0.72 -2.95 1.57 -0.00 -1.01 -4.53 115.22 104.44 1y8i n HIS 112 Ca -0.04 0.22 -0.19 0.00 -0.00 0.00 0.00 57.72 57.71 1y8i n HIS 112 Cb 0.30 -0.89 -0.02 0.00 -0.00 0.00 0.00 29.99 29.38 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 -2.64 2.10 0.16 2.41 4.77 -0.47 -4.93 117.00 118.40 1y8i n LEU 113 Ca -0.05 -4.88 0.18 0.00 -0.03 0.00 0.00 56.01 51.23 1y8i n LEU 113 Cb 0.65 0.28 0.78 0.00 -2.33 0.00 0.00 43.42 42.80 1y8i n LEU 113 CO 0.42 2.14 1.16 1.55 -1.33 0.00 0.00 177.39 181.33 1y8i h PRO 114 N 2.96 0.00 0.00 3.23 0.13 -1.73 -0.12 132.00 136.46 1y8i h PRO 114 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1y8i h PRO 114 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1y8i h PRO 114 CO 0.60 0.00 -0.84 0.09 -0.23 0.00 0.00 178.00 177.62 1y8i n ASN 115 N -3.92 0.63 -0.01 1.44 3.02 -1.26 -3.91 115.26 111.26 1y8i n ASN 115 Ca 0.04 -0.20 0.10 0.00 -0.03 0.00 0.00 54.58 54.48 1y8i n ASN 115 Cb 0.41 0.57 -0.13 0.00 -0.61 0.00 0.00 39.78 40.01 1y8i n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1y8i n ASP 116 N -1.87 0.66 -3.55 6.41 8.00 -0.52 -4.63 116.55 121.05 1y8i n ASP 116 Ca 0.03 -0.42 -0.41 0.00 0.71 0.00 0.00 54.79 54.70 1y8i n ASP 116 Cb 0.41 1.51 -0.01 0.00 -0.02 0.00 0.00 41.12 43.01 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 -1.86 2.85 -1.74 1.24 7.35 -0.17 -4.84 117.46 120.29 1y8i n PHE 117 Ca -0.00 -2.96 -0.31 0.00 -0.76 0.00 0.00 57.45 53.42 1y8i n PHE 117 Cb 0.42 -2.30 0.04 0.00 0.35 0.00 0.00 39.48 37.99 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 1.54 4.14 0.33 -2.13 -4.23 -1.26 -4.79 115.64 109.24 1y8i s THR 118 Ca 0.56 0.70 0.08 0.00 -1.18 0.00 0.00 61.69 61.84 1y8i s THR 118 Cb 0.16 -3.58 0.32 0.00 1.34 0.00 0.00 72.50 70.74 1y8i s THR 118 CO -0.06 -0.91 1.82 -0.65 -0.54 0.00 0.00 174.62 174.27 1y8i h PRO 119 N -0.58 0.71 -0.15 3.99 0.11 -1.99 0.14 132.00 134.23 1y8i h PRO 119 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1y8i h PRO 119 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1y8i h PRO 119 CO 0.60 0.47 -0.05 0.00 -0.21 0.00 0.00 178.00 178.81 1y8i h ALA 120 N 1.61 0.21 -0.45 -0.75 0.00 -1.97 -1.29 119.26 116.62 1y8i h ALA 120 Ca 0.53 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1y8i h ALA 120 Cb 0.85 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1y8i h ALA 120 CO -0.29 -0.01 -0.02 0.28 0.00 0.00 0.00 179.25 179.20 1y8i h VAL 121 N -0.02 1.24 -0.36 0.00 2.07 -1.74 -1.65 116.25 115.80 1y8i h VAL 121 Ca 0.04 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1y8i h VAL 121 Cb 0.50 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1y8i h VAL 121 CO 0.02 0.35 0.20 -0.74 0.02 0.00 0.00 177.57 177.41 1y8i h HIS 122 N 0.69 0.37 -0.58 1.57 6.17 -0.61 -0.25 115.15 122.51 1y8i h HIS 122 Ca 0.13 0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.16 1y8i h HIS 122 Cb 0.45 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 1y8i h HIS 122 CO 0.02 0.21 0.09 0.00 0.71 0.00 0.00 177.93 178.97 1y8i h ALA 123 N 1.17 1.08 -0.17 5.26 0.00 -0.72 -2.34 119.26 123.53 1y8i h ALA 123 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1y8i h ALA 123 Cb 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1y8i h ALA 123 CO -0.08 0.60 -0.18 0.77 0.00 0.00 0.00 179.25 180.36 1y8i h SER 124 N 0.87 0.46 0.36 0.00 0.02 -0.96 -3.05 113.55 111.25 1y8i h SER 124 Ca 0.18 -0.48 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1y8i h SER 124 Cb 0.39 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1y8i h SER 124 CO 0.01 0.85 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.45 1y8i h LEU 125 N 0.08 0.00 0.09 5.07 4.07 -0.97 -1.68 115.31 121.97 1y8i h LEU 125 Ca 0.03 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.78 1y8i h LEU 125 Cb 0.72 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.48 1y8i h LEU 125 CO 0.04 0.03 -0.88 -0.78 -1.08 0.00 0.00 178.44 175.77 1y8i h ASP 126 N 0.00 0.62 -0.30 -0.43 3.58 -1.35 -2.93 116.42 115.62 1y8i h ASP 126 Ca -0.00 -0.85 -0.05 0.00 0.42 0.00 0.00 57.03 56.55 1y8i h ASP 126 Cb 0.21 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1y8i h ASP 126 CO 0.00 1.41 0.01 0.11 -2.88 0.00 0.00 179.24 177.89 1y8i h LYS 127 N -0.08 0.52 -0.32 0.28 1.57 -1.35 -2.08 116.57 115.10 1y8i h LYS 127 Ca -0.14 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.56 1y8i h LYS 127 Cb 1.62 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.81 1y8i h LYS 127 CO 0.17 0.66 -0.22 0.35 -0.57 0.00 0.00 179.45 179.84 1y8i h PHE 128 N 0.32 -0.57 -0.41 -1.35 3.57 -1.42 -0.77 116.94 116.31 1y8i h PHE 128 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1y8i h PHE 128 Cb 0.42 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1y8i h PHE 128 CO 0.03 -0.30 0.20 -0.07 -2.23 0.00 0.00 178.31 175.95 1y8i h LEU 129 N -0.18 0.51 -0.33 0.59 3.38 -1.41 -1.72 115.31 116.15 1y8i h LEU 129 Ca 0.17 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1y8i h LEU 129 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1y8i h LEU 129 CO -0.43 0.44 -0.12 0.28 0.09 0.00 0.00 178.44 178.70 1y8i h SER 130 N 0.58 0.68 -0.86 -0.43 0.02 -0.56 -1.43 113.55 111.54 1y8i h SER 130 Ca 0.15 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1y8i h SER 130 Cb 0.07 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.38 1y8i h SER 130 CO -0.02 0.91 0.45 0.28 -1.14 0.00 0.00 176.83 177.31 1y8i h SER 131 N 0.44 1.10 -0.18 3.07 0.02 -0.81 0.19 113.55 117.38 1y8i h SER 131 Ca 0.08 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.80 1y8i h SER 131 Cb 0.63 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1y8i h SER 131 CO 0.04 0.91 -0.26 0.58 -1.14 0.00 0.00 176.83 176.96 1y8i h VAL 132 N 1.22 1.27 -0.61 2.27 2.07 -1.19 -2.43 116.25 118.85 1y8i h VAL 132 Ca 0.30 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1y8i h VAL 132 Cb 0.07 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1y8i h VAL 132 CO -0.04 0.44 0.08 0.28 0.02 0.00 0.00 177.57 178.35 1y8i h SER 133 N 0.57 0.99 -0.67 0.57 0.02 -0.54 -1.83 113.55 112.66 1y8i h SER 133 Ca 0.08 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1y8i h SER 133 Cb 0.74 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1y8i h SER 133 CO 0.06 1.01 0.31 0.74 -1.14 0.00 0.00 176.83 177.80 1y8i h THR 134 N 0.93 1.23 -0.26 -2.27 2.02 -0.79 -1.51 112.91 112.27 1y8i h THR 134 Ca 0.18 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 1y8i h THR 134 Cb 0.45 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1y8i h THR 134 CO 0.01 0.27 0.04 0.58 0.37 0.00 0.00 175.52 176.80 1y8i h VAL 135 N 0.93 1.23 0.00 3.16 2.07 -1.27 0.01 116.25 122.38 1y8i h VAL 135 Ca 0.23 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1y8i h VAL 135 Cb 0.14 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1y8i h VAL 135 CO -0.03 0.24 -0.13 -0.07 0.02 0.00 0.00 177.57 177.61 1y8i h LEU 136 N 0.23 0.00 -0.58 2.57 3.38 -1.19 -2.16 115.31 117.56 1y8i h LEU 136 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1y8i h LEU 136 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1y8i h LEU 136 CO 0.00 0.13 -0.62 0.35 0.09 0.00 0.00 178.44 178.40 1y8i n THR 137 N -3.40 0.00 -1.50 0.22 -2.24 -0.58 -3.35 114.28 103.43 1y8i n THR 137 Ca -0.01 -0.15 -0.31 0.00 -2.27 0.00 0.00 64.05 61.32 1y8i n THR 137 Cb 0.31 1.03 0.07 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.67 4.96 -0.37 3.42 0.15 -0.02 -4.87 113.70 114.30 1y8i s SER 138 Ca 0.15 1.57 0.13 0.00 0.70 0.00 0.00 55.95 58.50 1y8i s SER 138 Cb 0.18 -2.38 0.37 0.00 -1.71 0.00 0.00 66.02 62.47 1y8i s SER 138 CO 0.67 -1.70 0.79 1.17 1.20 0.00 0.00 173.24 175.36 1y8i n LYS 139 N -3.29 1.00 -0.81 5.44 4.81 -1.26 -4.70 118.16 119.34 1y8i n LYS 139 Ca 0.08 -3.27 -0.14 0.00 -0.87 0.00 0.00 58.31 54.11 1y8i n LYS 139 Cb 0.54 -1.58 -0.10 0.00 0.02 0.00 0.00 35.03 33.91 1y8i n LYS 139 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 1y8i n TYR 140 N 0.22 0.44 0.00 5.64 0.18 -1.26 -5.15 117.16 117.23 1y8i n TYR 140 Ca 0.21 -1.46 0.00 0.00 1.88 0.00 0.00 57.90 58.53 1y8i n TYR 140 Cb 0.69 -1.49 0.00 0.00 -0.38 0.00 0.00 39.34 38.16 1y8i n TYR 140 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65