#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s ARG 2 N 0.00 2.09 0.38 1.61 0.52 -0.42 -5.05 118.95 118.07 1yhq s ARG 2 Ca 0.00 -1.38 -0.28 0.00 -0.52 0.00 0.00 55.73 53.55 1yhq s ARG 2 Cb 0.00 -2.11 -0.11 0.00 0.52 0.00 0.00 34.95 33.25 1yhq s ARG 2 CO 0.00 0.40 1.50 1.03 0.02 0.00 0.00 175.30 178.25 1yhq s ARG 3 N -3.18 4.09 0.79 3.54 1.81 -1.26 -4.78 118.95 119.97 1yhq s ARG 3 Ca 0.28 2.60 -0.12 0.00 -1.72 0.00 0.00 55.73 56.76 1yhq s ARG 3 Cb -0.08 -2.96 0.07 0.00 -0.45 0.00 0.00 34.95 31.53 1yhq s ARG 3 CO 0.17 -0.56 1.15 0.96 -0.68 0.00 0.00 175.30 176.33 1yhq s ILE 4 N -1.07 2.47 0.25 1.52 -4.36 -1.26 -4.85 121.20 113.89 1yhq s ILE 4 Ca 0.53 0.15 -0.03 0.00 -0.26 0.00 0.00 60.65 61.04 1yhq s ILE 4 Cb -0.47 -3.10 0.22 0.00 1.25 0.00 0.00 42.46 40.36 1yhq s ILE 4 CO 0.63 -0.20 1.76 -0.61 0.24 0.00 0.00 174.94 176.77 1yhq h GLN 5 N -1.01 0.58 -0.00 0.37 4.15 -1.93 -0.09 115.11 117.17 1yhq h GLN 5 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1yhq h GLN 5 Cb 1.31 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 1yhq h GLN 5 CO 0.64 0.38 0.04 0.78 -1.93 0.00 0.00 178.83 178.75 1yhq h GLY 6 N 0.60 0.00 1.19 2.39 0.00 -1.99 -0.66 103.07 104.61 1yhq h GLY 6 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.46 1yhq h GLY 6 CO -0.34 0.00 -1.57 1.46 0.00 0.00 0.00 176.54 176.10 1yhq h GLN 7 N 0.00 0.10 -0.14 4.80 4.20 -1.37 -3.29 115.11 119.41 1yhq h GLN 7 Ca 0.00 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 1yhq h GLN 7 Cb 0.07 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1yhq h GLN 7 CO -0.00 0.84 -0.17 0.00 -0.67 0.00 0.00 178.83 178.83 1yhq h ARG 8 N 0.03 0.23 0.13 1.46 -0.00 -0.80 -3.21 114.38 112.22 1yhq h ARG 8 Ca -0.24 -0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.20 1yhq h ARG 8 Cb 1.97 -0.03 -0.04 0.00 0.00 0.00 0.00 29.97 31.87 1yhq h ARG 8 CO 0.11 0.41 -0.42 0.00 0.00 0.00 0.00 179.97 180.07 1yhq h ARG 9 N 0.22 -0.64 -0.99 0.04 3.08 -1.51 -2.96 114.38 111.61 1yhq h ARG 9 Ca 0.04 0.04 0.29 0.00 0.07 0.00 0.00 59.98 60.42 1yhq h ARG 9 Cb 0.44 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1yhq h ARG 9 CO 0.03 -0.43 0.80 0.78 -1.07 0.00 0.00 179.97 180.09 1yhq h GLY 10 N -0.66 0.00 1.99 0.04 0.00 -1.68 -0.50 103.07 102.25 1yhq h GLY 10 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1yhq h GLY 10 CO -0.23 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.85 1yhq n ARG 11 N -3.97 0.00 -3.29 4.80 1.74 -1.12 -4.87 116.66 109.95 1yhq n ARG 11 Ca 0.21 0.34 -0.22 0.00 -0.77 0.00 0.00 57.85 57.40 1yhq n ARG 11 Cb 1.14 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 31.14 1yhq n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhq n GLY 12 N -0.54 -0.49 3.86 -0.13 0.00 -0.20 -5.00 105.19 102.70 1yhq n GLY 12 Ca 0.02 0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1yhq n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yhq s THR 13 N -3.24 3.47 0.23 2.61 -4.23 -1.26 -4.76 115.64 108.46 1yhq s THR 13 Ca 0.44 0.48 -0.17 0.00 -1.18 0.00 0.00 61.69 61.26 1yhq s THR 13 Cb -0.19 -3.40 0.25 0.00 1.34 0.00 0.00 72.50 70.50 1yhq s THR 13 CO 0.54 -0.62 1.56 -1.28 -0.54 0.00 0.00 174.62 174.28 1yhq h SER 14 N -0.75 -1.29 -1.01 3.99 0.87 -1.95 0.59 113.55 114.00 1yhq h SER 14 Ca -0.45 0.29 0.28 0.00 -1.23 0.00 0.00 61.79 60.67 1yhq h SER 14 Cb 1.25 0.69 -0.06 0.00 -0.44 0.00 0.00 62.40 63.85 1yhq h SER 14 CO 0.62 -0.29 0.70 0.74 -0.53 0.00 0.00 176.83 178.07 1yhq h THR 15 N -0.03 0.52 0.00 2.23 2.02 -1.99 -2.15 112.91 113.52 1yhq h THR 15 Ca 0.34 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1yhq h THR 15 Cb 0.60 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1yhq h THR 15 CO -0.93 0.03 -1.03 0.49 0.37 0.00 0.00 175.52 174.45 1yhq n PHE 16 N -4.37 0.00 -1.73 3.16 3.01 0.16 -4.39 117.46 113.31 1yhq n PHE 16 Ca 0.22 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.37 1yhq n PHE 16 Cb 0.98 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 40.46 1yhq n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1yhq s ARG 17 N -3.01 3.28 0.27 -1.08 0.52 -0.81 -3.96 118.95 114.16 1yhq s ARG 17 Ca 0.07 0.86 -0.16 0.00 -0.52 0.00 0.00 55.73 55.98 1yhq s ARG 17 Cb 0.16 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 1yhq s ARG 17 CO 0.87 -0.82 0.70 0.00 0.02 0.00 0.00 175.30 176.06 1yhq s ALA 18 N -3.10 3.39 -0.64 2.13 0.00 -1.26 -4.32 121.76 117.96 1yhq s ALA 18 Ca 0.57 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.50 1yhq s ALA 18 Cb -0.12 -2.73 -0.12 0.00 0.00 0.00 0.00 23.12 20.14 1yhq s ALA 18 CO 0.54 0.36 2.56 -0.35 0.00 0.00 0.00 175.76 178.87 1yhq n PRO 19 N 0.08 2.11 -0.32 0.00 -0.04 -1.26 -4.68 135.00 130.89 1yhq n PRO 19 Ca 0.01 -1.27 0.22 0.00 -0.04 0.00 0.00 63.50 62.41 1yhq n PRO 19 Cb 0.52 -2.25 0.43 0.00 -0.04 0.00 0.00 33.50 32.16 1yhq n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1yhq h SER 20 N 4.95 0.32 0.14 3.54 0.02 -1.97 0.52 113.55 121.07 1yhq h SER 20 Ca 0.41 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1yhq h SER 20 Cb 0.60 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1yhq h SER 20 CO 1.00 -0.18 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 1yhq n HIS 21 N -5.14 0.00 0.58 3.45 1.44 -1.26 -0.53 115.22 113.76 1yhq n HIS 21 Ca 0.29 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.07 1yhq n HIS 21 Cb 0.93 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1yhq n HIS 21 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1yhq n ARG 22 N -1.39 1.77 -2.89 -1.40 0.63 0.18 -5.00 116.66 108.57 1yhq n ARG 22 Ca 0.02 -0.77 -0.33 0.00 -0.92 0.00 0.00 57.85 55.85 1yhq n ARG 22 Cb 0.05 -1.19 -0.07 0.00 0.45 0.00 0.00 32.46 31.71 1yhq n ARG 22 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1yhq s TYR 23 N -1.58 3.35 -0.10 -0.14 4.12 0.31 -4.89 117.35 118.42 1yhq s TYR 23 Ca 0.11 1.54 -0.03 0.00 0.02 0.00 0.00 57.07 58.71 1yhq s TYR 23 Cb 0.11 -2.79 -0.01 0.00 -1.52 0.00 0.00 41.96 37.75 1yhq s TYR 23 CO 0.31 -0.05 -0.06 0.87 0.02 0.00 0.00 175.55 176.65 1yhq h LYS 24 N 2.06 0.00 -2.87 -0.62 1.57 -1.94 -3.50 116.57 111.27 1yhq h LYS 24 Ca -0.49 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1yhq h LYS 24 Cb 1.18 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 1yhq h LYS 24 CO 0.62 0.00 0.10 0.00 -0.57 0.00 0.00 179.45 179.61 1yhq s ALA 25 N -2.68 -1.42 -0.88 3.86 0.00 -1.26 -5.08 121.76 114.30 1yhq s ALA 25 Ca -0.05 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1yhq s ALA 25 Cb 0.01 0.58 0.18 0.00 0.00 0.00 0.00 23.12 23.89 1yhq s ALA 25 CO 0.07 -0.61 0.93 0.34 0.00 0.00 0.00 175.76 176.49 1yhq s ASP 26 N -2.31 6.72 0.00 0.00 -1.08 -1.26 -4.97 116.67 113.77 1yhq s ASP 26 Ca -0.02 -2.44 -0.07 0.00 -0.52 0.00 0.00 52.55 49.50 1yhq s ASP 26 Cb -0.00 -2.29 -0.09 0.00 -1.46 0.00 0.00 42.92 39.08 1yhq s ASP 26 CO -0.06 -0.78 1.05 0.18 0.52 0.00 0.00 175.17 176.08 1yhq n LEU 27 N 5.05 0.20 -4.87 -1.34 4.77 -1.26 -4.92 117.00 114.64 1yhq n LEU 27 Ca 0.18 -1.06 -0.34 0.00 -0.03 0.00 0.00 56.01 54.76 1yhq n LEU 27 Cb 0.48 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1yhq n LEU 27 CO 0.41 -1.36 0.11 -1.61 -1.33 0.00 0.00 177.39 173.61 1yhq s GLU 28 N 5.10 3.78 0.45 3.23 2.02 -1.26 -4.58 118.70 127.44 1yhq s GLU 28 Ca 0.16 0.20 -0.24 0.00 0.02 0.00 0.00 54.97 55.11 1yhq s GLU 28 Cb 0.03 -2.92 -0.09 0.00 0.10 0.00 0.00 34.13 31.26 1yhq s GLU 28 CO 0.08 0.50 1.21 0.72 0.02 0.00 0.00 175.26 177.79 1yhq n HIS 29 N 0.64 1.86 -1.78 1.61 8.25 -0.83 -4.95 115.22 120.02 1yhq n HIS 29 Ca -0.06 0.50 -0.33 0.00 -0.26 0.00 0.00 57.72 57.57 1yhq n HIS 29 Cb 0.52 -2.33 0.04 0.00 1.12 0.00 0.00 29.99 29.35 1yhq n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yhq s ARG 30 N -2.31 2.85 -0.14 -0.41 0.52 -1.26 -4.74 118.95 113.46 1yhq s ARG 30 Ca 0.64 1.38 -0.11 0.00 -0.52 0.00 0.00 55.73 57.13 1yhq s ARG 30 Cb -0.50 -1.96 -0.05 0.00 0.52 0.00 0.00 34.95 32.97 1yhq s ARG 30 CO 0.56 -1.21 0.21 0.15 0.02 0.00 0.00 175.30 175.02 1yhq s LYS 31 N -4.08 3.91 -0.06 3.54 1.02 -1.26 -5.06 119.74 117.74 1yhq s LYS 31 Ca 0.67 -0.02 0.02 0.00 0.02 0.00 0.00 55.97 56.65 1yhq s LYS 31 Cb -0.20 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.81 1yhq s LYS 31 CO 0.41 0.50 -0.11 0.08 -0.92 0.00 0.00 175.35 175.31 1yhq s VAL 32 N -0.29 1.04 0.16 3.17 1.01 -1.26 -5.04 120.40 119.19 1yhq s VAL 32 Ca 0.15 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 1yhq s VAL 32 Cb -0.13 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.37 1yhq s VAL 32 CO 0.04 0.33 1.63 -0.33 0.00 0.00 0.00 175.10 176.77 1yhq h GLU 33 N 7.01 -0.17 0.00 2.72 3.07 -2.00 -3.48 114.58 121.74 1yhq h GLU 33 Ca -0.32 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1yhq h GLU 33 Cb 1.18 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1yhq h GLU 33 CO 0.47 -0.11 0.00 -3.47 -1.40 0.00 0.00 179.01 174.50 1yhq n ASP 34 N -5.38 0.00 0.00 1.42 -0.08 -1.26 -5.05 116.55 106.20 1yhq n ASP 34 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 1yhq n ASP 34 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1yhq n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yhq n GLY 35 N -0.41 1.93 0.42 0.27 0.00 -1.26 -4.35 105.19 101.79 1yhq n GLY 35 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1yhq n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yhq n ASP 36 N 2.74 0.00 -2.55 1.61 2.03 -1.26 -4.15 116.55 114.96 1yhq n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1yhq n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1yhq n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yhq n VAL 37 N -2.00 0.00 -3.80 5.18 0.24 -1.26 -4.54 118.33 112.14 1yhq n VAL 37 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1yhq n VAL 37 Cb 0.00 -1.44 -0.16 0.00 -1.47 0.00 0.00 33.84 30.76 1yhq n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1yhq s ILE 38 N 3.03 0.89 0.11 1.34 -1.09 -1.26 -5.01 121.20 119.21 1yhq s ILE 38 Ca 0.00 -0.87 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 1yhq s ILE 38 Cb 0.00 -1.35 -0.04 0.00 -1.58 0.00 0.00 42.46 39.49 1yhq s ILE 38 CO 0.00 -0.23 -0.11 0.00 -1.23 0.00 0.00 174.94 173.37 1yhq s ALA 39 N 1.68 1.26 0.24 9.38 0.00 -1.26 -1.26 121.76 131.79 1yhq s ALA 39 Ca -0.01 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.61 1yhq s ALA 39 Cb -0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1yhq s ALA 39 CO -0.09 0.00 0.39 0.20 0.00 0.00 0.00 175.76 176.27 1yhq s GLY 40 N -2.49 0.82 -0.09 0.00 0.00 -0.20 -1.01 107.32 104.35 1yhq s GLY 40 Ca 0.07 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1yhq s GLY 40 CO 0.01 -0.84 -0.24 -1.59 0.00 0.00 0.00 173.10 170.44 1yhq s THR 41 N -3.98 2.02 0.01 0.90 2.01 0.05 -1.02 115.64 115.63 1yhq s THR 41 Ca 0.27 -1.01 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1yhq s THR 41 Cb 0.01 -1.74 -0.08 0.00 0.01 0.00 0.00 72.50 70.69 1yhq s THR 41 CO 0.11 0.55 1.99 -0.69 -0.69 0.00 0.00 174.62 175.89 1yhq s VAL 42 N 0.26 3.03 -0.04 3.82 1.01 -0.40 -1.68 120.40 126.39 1yhq s VAL 42 Ca -0.16 0.03 0.21 0.00 0.00 0.00 0.00 61.98 62.06 1yhq s VAL 42 Cb -0.17 -3.02 -0.32 0.00 0.00 0.00 0.00 36.38 32.87 1yhq s VAL 42 CO 0.08 -0.00 0.43 0.52 0.00 0.00 0.00 175.10 176.12 1yhq n VAL 43 N 5.81 0.11 -3.59 2.92 0.31 0.12 -0.82 118.33 123.19 1yhq n VAL 43 Ca 0.21 -0.51 -0.04 0.00 -0.01 0.00 0.00 64.34 63.99 1yhq n VAL 43 Cb 0.42 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 33.30 1yhq n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yhq s ASP 44 N -4.51 -0.16 -0.15 4.52 2.15 -1.15 -4.92 116.67 112.45 1yhq s ASP 44 Ca -0.08 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.89 1yhq s ASP 44 Cb 0.13 0.19 0.01 0.00 -0.30 0.00 0.00 42.92 42.95 1yhq s ASP 44 CO 0.87 -0.31 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.71 1yhq s ILE 45 N -2.54 2.07 0.33 4.11 -1.09 -1.26 -0.15 121.20 122.67 1yhq s ILE 45 Ca 0.10 -0.97 0.07 0.00 -2.23 0.00 0.00 60.65 57.62 1yhq s ILE 45 Cb -0.00 -1.83 -0.07 0.00 -1.58 0.00 0.00 42.46 38.98 1yhq s ILE 45 CO -0.05 0.55 -0.05 -1.61 -1.23 0.00 0.00 174.94 172.55 1yhq s GLU 46 N 0.95 1.74 -0.01 2.79 2.02 0.60 -4.94 118.70 121.85 1yhq s GLU 46 Ca -0.04 -1.92 -0.21 0.00 0.02 0.00 0.00 54.97 52.83 1yhq s GLU 46 Cb -0.15 -1.42 -0.05 0.00 0.10 0.00 0.00 34.13 32.61 1yhq s GLU 46 CO -0.05 0.03 0.60 -1.58 0.02 0.00 0.00 175.26 174.28 1yhq s HIS 47 N -2.84 3.67 -0.42 1.61 5.65 -1.26 0.34 115.29 122.04 1yhq s HIS 47 Ca 0.32 1.19 -0.15 0.00 0.25 0.00 0.00 55.06 56.68 1yhq s HIS 47 Cb 0.05 -2.63 0.03 0.00 -1.18 0.00 0.00 32.58 28.86 1yhq s HIS 47 CO 0.15 0.32 0.31 0.34 -0.65 0.00 0.00 174.74 175.21 1yhq s ASP 48 N -0.07 6.07 0.50 9.88 -1.08 -0.11 -4.86 116.67 127.01 1yhq s ASP 48 Ca 0.31 -1.01 0.21 0.00 -0.52 0.00 0.00 52.55 51.54 1yhq s ASP 48 Cb -0.18 -2.15 1.28 0.00 -1.46 0.00 0.00 42.92 40.41 1yhq s ASP 48 CO 0.17 -0.49 2.00 -0.65 0.52 0.00 0.00 175.17 176.72 1yhq h PRO 49 N 8.63 0.12 0.00 4.34 0.11 -1.90 -1.24 132.00 142.06 1yhq h PRO 49 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1yhq h PRO 49 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1yhq h PRO 49 CO 0.76 0.08 -0.20 0.00 -0.21 0.00 0.00 178.00 178.43 1yhq h ALA 50 N 1.75 0.87 0.00 -0.75 0.00 -1.92 -3.38 119.26 115.83 1yhq h ALA 50 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yhq h ALA 50 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1yhq h ALA 50 CO -0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.76 1yhq n ARG 51 N -2.27 -0.29 -3.82 0.00 1.74 -0.88 -5.01 116.66 106.12 1yhq n ARG 51 Ca 0.05 -0.33 -0.29 0.00 -0.77 0.00 0.00 57.85 56.50 1yhq n ARG 51 Cb 0.44 -0.75 0.02 0.00 -1.02 0.00 0.00 32.46 31.15 1yhq n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1yhq n SER 52 N -0.03 -4.67 -3.97 0.55 7.64 -0.52 -4.72 113.62 107.90 1yhq n SER 52 Ca 0.00 -0.72 -0.09 0.00 1.01 0.00 0.00 58.87 59.08 1yhq n SER 52 Cb 0.15 -3.75 -0.09 0.00 -1.01 0.00 0.00 64.21 59.51 1yhq n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yhq s ALA 53 N -3.24 0.10 0.51 -0.43 0.00 -1.24 -4.95 121.76 112.50 1yhq s ALA 53 Ca 0.62 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.65 1yhq s ALA 53 Cb -0.32 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1yhq s ALA 53 CO 0.77 -0.33 1.03 -1.25 0.00 0.00 0.00 175.76 175.97 1yhq s PRO 54 N -2.97 3.75 0.09 0.00 0.04 -1.26 -0.93 135.00 133.72 1yhq s PRO 54 Ca -0.02 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.31 1yhq s PRO 54 Cb 0.01 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1yhq s PRO 54 CO -0.06 -0.46 -0.08 0.54 0.04 0.00 0.00 177.00 176.97 1yhq s VAL 55 N -2.17 0.80 -0.14 -0.36 0.11 0.15 -4.27 120.40 114.53 1yhq s VAL 55 Ca 0.65 -1.71 -0.00 0.00 -2.93 0.00 0.00 61.98 57.99 1yhq s VAL 55 Cb -0.15 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.27 1yhq s VAL 55 CO 0.24 -0.68 -0.13 0.00 -3.33 0.00 0.00 175.10 171.20 1yhq s ALA 56 N -2.84 2.59 -0.18 1.54 0.00 -0.72 -0.29 121.76 121.87 1yhq s ALA 56 Ca 0.07 -0.92 -0.25 0.00 0.00 0.00 0.00 51.96 50.86 1yhq s ALA 56 Cb -0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 23.12 21.89 1yhq s ALA 56 CO -0.02 0.18 0.81 0.00 0.00 0.00 0.00 175.76 176.74 1yhq s ALA 57 N 0.46 3.54 0.01 0.00 0.00 0.79 0.07 121.76 126.64 1yhq s ALA 57 Ca -0.10 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 51.92 1yhq s ALA 57 Cb -0.16 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1yhq s ALA 57 CO 0.05 -0.69 -0.25 0.08 0.00 0.00 0.00 175.76 174.95 1yhq s VAL 58 N 2.25 1.96 -0.29 0.00 1.01 -0.56 0.15 120.40 124.91 1yhq s VAL 58 Ca 0.37 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1yhq s VAL 58 Cb -0.16 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1yhq s VAL 58 CO 0.11 0.45 0.02 -0.70 0.00 0.00 0.00 175.10 174.98 1yhq s GLU 59 N -0.86 2.69 0.49 2.72 2.12 -0.68 -2.01 118.70 123.17 1yhq s GLU 59 Ca 0.10 -1.10 -0.09 0.00 0.36 0.00 0.00 54.97 54.24 1yhq s GLU 59 Cb -0.10 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 1yhq s GLU 59 CO 0.00 -0.54 0.85 -0.06 -0.54 0.00 0.00 175.26 174.97 1yhq s PHE 60 N 1.34 3.55 0.23 5.30 0.40 0.27 -0.77 117.98 128.30 1yhq s PHE 60 Ca -0.02 1.02 -0.09 0.00 -0.60 0.00 0.00 56.93 57.24 1yhq s PHE 60 Cb -0.18 -2.46 0.36 0.00 0.51 0.00 0.00 43.02 41.25 1yhq s PHE 60 CO -0.01 -0.33 1.65 0.93 0.70 0.00 0.00 175.22 178.17 1yhq h GLU 61 N 0.42 0.11 -1.04 0.44 5.08 -1.40 -1.52 114.58 116.68 1yhq h GLU 61 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1yhq h GLU 61 Cb 1.20 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1yhq h GLU 61 CO 0.62 0.08 0.00 -0.40 -1.00 0.00 0.00 179.01 178.31 1yhq n ASP 62 N -5.31 2.42 0.00 1.42 5.75 -1.26 -4.81 116.55 114.76 1yhq n ASP 62 Ca 0.11 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1yhq n ASP 62 Cb 0.41 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1yhq n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yhq n GLY 63 N 0.44 0.55 3.67 6.12 0.00 -0.57 -5.01 105.19 110.38 1yhq n GLY 63 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1yhq n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yhq s ASP 64 N -2.33 6.94 -0.32 1.61 1.01 -1.24 -4.86 116.67 117.48 1yhq s ASP 64 Ca 0.00 1.16 -0.08 0.00 0.71 0.00 0.00 52.55 54.34 1yhq s ASP 64 Cb 0.00 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.49 1yhq s ASP 64 CO 0.00 -0.42 0.11 -0.60 0.21 0.00 0.00 175.17 174.47 1yhq s ARG 65 N 2.28 2.99 0.00 8.23 6.06 -1.26 -0.57 118.95 136.69 1yhq s ARG 65 Ca 0.38 -0.93 -0.09 0.00 -2.50 0.00 0.00 55.73 52.59 1yhq s ARG 65 Cb -0.16 -3.46 0.01 0.00 0.06 0.00 0.00 34.95 31.40 1yhq s ARG 65 CO 0.11 -0.52 0.18 1.03 -2.50 0.00 0.00 175.30 173.61 1yhq s ARG 66 N 1.50 0.55 0.35 5.12 0.52 -0.85 -5.00 118.95 121.13 1yhq s ARG 66 Ca 0.02 -0.40 -0.24 0.00 -0.52 0.00 0.00 55.73 54.59 1yhq s ARG 66 Cb -0.18 0.23 -0.10 0.00 0.52 0.00 0.00 34.95 35.42 1yhq s ARG 66 CO 0.03 -0.14 0.93 -0.51 0.02 0.00 0.00 175.30 175.63 1yhq s LEU 67 N -1.48 4.22 0.05 2.53 1.43 -1.26 -1.50 118.68 122.67 1yhq s LEU 67 Ca -0.13 1.76 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1yhq s LEU 67 Cb -0.06 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.99 1yhq s LEU 67 CO 0.01 -0.15 -0.14 -0.51 0.23 0.00 0.00 176.35 175.79 1yhq s ILE 68 N -1.78 1.14 -0.41 -0.59 2.07 0.11 -4.74 121.20 117.00 1yhq s ILE 68 Ca 0.53 -1.08 -0.28 0.00 -1.41 0.00 0.00 60.65 58.41 1yhq s ILE 68 Cb -0.16 -1.05 -0.02 0.00 0.13 0.00 0.00 42.46 41.37 1yhq s ILE 68 CO 0.20 -0.04 1.80 -0.22 -1.91 0.00 0.00 174.94 174.78 1yhq s LEU 69 N -1.28 3.45 -0.03 8.50 2.96 -1.26 -1.75 118.68 129.28 1yhq s LEU 69 Ca 0.01 1.01 -0.27 0.00 -0.22 0.00 0.00 54.13 54.66 1yhq s LEU 69 Cb -0.08 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1yhq s LEU 69 CO 0.02 -1.89 0.85 0.00 -1.32 0.00 0.00 176.35 174.01 1yhq s ALA 70 N 7.48 3.24 0.82 5.97 0.00 -1.26 -4.93 121.76 133.08 1yhq s ALA 70 Ca 0.75 0.36 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 1yhq s ALA 70 Cb -0.19 -3.17 0.14 0.00 0.00 0.00 0.00 23.12 19.90 1yhq s ALA 70 CO 0.30 -0.17 1.14 -2.14 0.00 0.00 0.00 175.76 174.89 1yhq s PRO 71 N 0.90 1.42 0.37 0.00 0.02 -1.26 -1.54 135.00 134.92 1yhq s PRO 71 Ca 0.45 -0.52 -0.26 0.00 0.02 0.00 0.00 61.00 60.70 1yhq s PRO 71 Cb -0.20 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.17 1yhq s PRO 71 CO 0.24 -1.79 1.11 -2.00 -0.33 0.00 0.00 177.00 174.23 1yhq s GLU 72 N -5.50 4.21 0.00 5.54 2.12 0.16 -3.85 118.70 121.38 1yhq s GLU 72 Ca 0.67 1.72 0.00 0.00 0.36 0.00 0.00 54.97 57.73 1yhq s GLU 72 Cb -0.07 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.59 1yhq s GLU 72 CO 0.48 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 1yhq n GLY 73 N 0.65 0.77 3.68 -1.50 0.00 -1.26 -4.82 105.19 102.71 1yhq n GLY 73 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1yhq n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhq s VAL 74 N -2.25 5.20 0.27 1.61 1.01 -1.25 -5.07 120.40 119.93 1yhq s VAL 74 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1yhq s VAL 74 Cb 0.00 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1yhq s VAL 74 CO 0.00 0.27 -0.06 -0.83 0.00 0.00 0.00 175.10 174.49 1yhq s GLY 75 N 0.92 1.79 0.43 4.51 0.00 -1.26 -5.04 107.32 108.67 1yhq s GLY 75 Ca 0.20 -1.88 -0.25 0.00 0.00 0.00 0.00 44.72 42.79 1yhq s GLY 75 CO 0.08 -1.82 1.25 -0.62 0.00 0.00 0.00 173.10 171.99 1yhq n VAL 76 N -0.56 2.65 0.00 1.40 0.31 -1.26 -2.10 118.33 118.76 1yhq n VAL 76 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 1yhq n VAL 76 Cb 0.63 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1yhq n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1yhq n GLY 77 N 0.84 2.72 3.60 2.92 0.00 -0.00 -4.97 105.19 110.30 1yhq n GLY 77 Ca 0.07 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1yhq n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yhq n ASP 78 N 0.67 0.52 -4.40 1.61 9.92 -0.89 -4.62 116.55 119.36 1yhq n ASP 78 Ca 0.00 0.75 -0.33 0.00 -0.53 0.00 0.00 54.79 54.68 1yhq n ASP 78 Cb 0.00 -1.38 -0.14 0.00 -0.64 0.00 0.00 41.12 38.97 1yhq n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1yhq s GLU 79 N -2.89 3.47 0.16 -1.24 2.12 -1.26 -1.28 118.70 117.77 1yhq s GLU 79 Ca 0.75 -0.63 0.08 0.00 0.36 0.00 0.00 54.97 55.53 1yhq s GLU 79 Cb -0.39 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1yhq s GLU 79 CO 0.48 0.15 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.78 1yhq s LEU 80 N 0.56 3.13 0.07 2.70 1.43 -0.19 -4.96 118.68 121.41 1yhq s LEU 80 Ca -0.06 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1yhq s LEU 80 Cb -0.15 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1yhq s LEU 80 CO 0.03 0.11 -0.13 -1.10 0.23 0.00 0.00 176.35 175.49 1yhq s GLN 81 N -2.74 0.79 -0.07 1.70 -0.21 -1.26 -1.03 119.66 116.84 1yhq s GLN 81 Ca 0.25 -0.94 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 1yhq s GLN 81 Cb -0.09 -0.76 0.03 0.00 1.00 0.00 0.00 33.01 33.19 1yhq s GLN 81 CO 0.16 0.16 0.01 0.08 -2.12 0.00 0.00 175.29 173.58 1yhq s VAL 82 N -1.33 0.34 0.00 1.09 1.01 -0.39 -1.83 120.40 119.28 1yhq s VAL 82 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1yhq s VAL 82 Cb -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1yhq s VAL 82 CO 0.02 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1yhq n GLY 83 N 5.14 2.52 0.37 4.51 0.00 -0.63 -4.19 105.19 112.91 1yhq n GLY 83 Ca -0.07 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.66 1yhq n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yhq h VAL 84 N 1.07 0.92 -0.21 1.61 2.07 -1.86 -1.60 116.25 118.24 1yhq h VAL 84 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1yhq h VAL 84 Cb 0.00 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1yhq h VAL 84 CO 0.00 0.15 0.00 -1.20 0.02 0.00 0.00 177.57 176.54 1yhq n SER 85 N -4.55 1.88 -4.60 0.57 7.64 -1.26 -4.91 113.62 108.40 1yhq n SER 85 Ca 0.16 -1.77 -0.39 0.00 1.01 0.00 0.00 58.87 57.88 1yhq n SER 85 Cb 0.37 -0.13 0.04 0.00 -1.01 0.00 0.00 64.21 63.47 1yhq n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yhq n ALA 86 N 0.47 0.05 -1.24 -0.43 0.00 -0.60 -4.94 120.51 113.82 1yhq n ALA 86 Ca 0.16 0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 1yhq n ALA 86 Cb 0.36 -2.07 0.09 0.00 0.00 0.00 0.00 19.45 17.83 1yhq n ALA 86 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yhq s GLU 87 N -2.40 2.21 -1.20 0.00 2.12 -1.26 -4.93 118.70 113.24 1yhq s GLU 87 Ca 0.70 1.25 -0.05 0.00 0.36 0.00 0.00 54.97 57.23 1yhq s GLU 87 Cb -0.47 -1.89 0.21 0.00 0.26 0.00 0.00 34.13 32.25 1yhq s GLU 87 CO 0.52 -1.69 1.97 -0.89 -0.54 0.00 0.00 175.26 174.63 1yhq n ILE 88 N -3.42 5.28 -4.46 -3.70 5.41 -1.26 -4.85 119.36 112.37 1yhq n ILE 88 Ca 0.10 -5.05 -0.23 0.00 1.00 0.00 0.00 62.75 58.57 1yhq n ILE 88 Cb 0.53 -2.01 -0.10 0.00 -0.71 0.00 0.00 39.64 37.35 1yhq n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1yhq s ALA 89 N -1.90 2.60 0.36 -1.39 0.00 -1.26 -5.10 121.76 115.07 1yhq s ALA 89 Ca 0.43 -1.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.21 1yhq s ALA 89 Cb 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 23.04 1yhq s ALA 89 CO -0.04 0.14 1.51 -2.14 0.00 0.00 0.00 175.76 175.22 1yhq s PRO 90 N -3.59 4.11 0.00 0.00 0.02 -1.26 -2.55 135.00 131.73 1yhq s PRO 90 Ca 0.29 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1yhq s PRO 90 Cb -0.01 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.53 1yhq s PRO 90 CO 0.13 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1yhq n GLY 91 N 0.83 0.57 3.92 0.52 0.00 -0.02 -4.97 105.19 106.05 1yhq n GLY 91 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1yhq n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yhq s ASN 92 N -2.40 6.38 -0.08 1.61 -0.87 -1.06 -4.66 114.94 113.86 1yhq s ASN 92 Ca 0.00 0.31 0.04 0.00 -1.57 0.00 0.00 52.86 51.64 1yhq s ASN 92 Cb 0.00 -1.97 -0.01 0.00 -0.02 0.00 0.00 41.25 39.24 1yhq s ASN 92 CO 0.00 0.10 -0.20 -0.89 -2.57 0.00 0.00 177.10 173.53 1yhq s THR 93 N -1.64 2.44 0.11 1.60 2.01 -0.76 -0.96 115.64 118.44 1yhq s THR 93 Ca 0.36 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 1yhq s THR 93 Cb -0.12 -1.94 0.07 0.00 0.01 0.00 0.00 72.50 70.51 1yhq s THR 93 CO 0.28 0.56 0.61 -1.48 -0.69 0.00 0.00 174.62 173.89 1yhq s LEU 94 N 0.01 -0.54 0.46 4.42 2.34 -0.64 -1.61 118.68 123.11 1yhq s LEU 94 Ca -0.07 0.15 -0.24 0.00 0.06 0.00 0.00 54.13 54.04 1yhq s LEU 94 Cb -0.15 2.55 -0.09 0.00 -0.56 0.00 0.00 46.19 47.94 1yhq s LEU 94 CO 0.05 -0.88 1.16 -0.81 -1.06 0.00 0.00 176.35 174.81 1yhq n PRO 95 N -0.06 1.59 -0.34 1.48 -0.04 -1.26 -2.11 135.00 134.25 1yhq n PRO 95 Ca -0.17 0.57 0.21 0.00 -0.04 0.00 0.00 63.50 64.07 1yhq n PRO 95 Cb 0.63 -2.27 0.44 0.00 -0.04 0.00 0.00 33.50 32.26 1yhq n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1yhq h LEU 96 N 1.64 0.58 -1.74 1.53 3.38 -0.79 -0.06 115.31 119.85 1yhq h LEU 96 Ca -0.47 0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.76 1yhq h LEU 96 Cb 1.32 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 1yhq h LEU 96 CO 0.57 0.01 0.40 0.00 0.09 0.00 0.00 178.44 179.51 1yhq h ALA 97 N 1.75 2.16 -0.00 1.53 0.00 -1.51 -0.13 119.26 123.06 1yhq h ALA 97 Ca 0.68 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1yhq h ALA 97 Cb 1.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1yhq h ALA 97 CO -0.50 -0.31 -0.22 0.39 0.00 0.00 0.00 179.25 178.61 1yhq n GLU 98 N -4.45 0.12 -3.10 0.00 -0.58 -0.04 -4.85 120.64 107.74 1yhq n GLU 98 Ca 0.10 -0.04 -0.39 0.00 -0.42 0.00 0.00 57.16 56.40 1yhq n GLU 98 Cb 0.45 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.77 1yhq n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1yhq s ILE 99 N -2.91 4.78 0.22 -3.67 -1.09 -0.06 -5.03 121.20 113.45 1yhq s ILE 99 Ca 0.15 1.44 -0.30 0.00 -2.23 0.00 0.00 60.65 59.71 1yhq s ILE 99 Cb 0.19 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.96 1yhq s ILE 99 CO 0.59 0.41 1.17 -2.16 -1.23 0.00 0.00 174.94 173.72 1yhq s PRO 100 N -0.26 4.53 0.76 2.79 0.04 -1.26 -4.99 135.00 136.61 1yhq s PRO 100 Ca 0.34 1.86 -0.15 0.00 0.04 0.00 0.00 61.00 63.09 1yhq s PRO 100 Cb -0.20 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.14 1yhq s PRO 100 CO 0.20 0.00 0.91 0.39 0.04 0.00 0.00 177.00 178.55 1yhq n GLU 101 N 2.06 0.34 -0.97 4.56 1.02 -1.26 -2.87 120.64 123.52 1yhq n GLU 101 Ca 0.02 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1yhq n GLU 101 Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1yhq n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yhq n GLY 102 N 1.08 0.51 3.56 0.62 0.00 0.05 -5.01 105.19 106.00 1yhq n GLY 102 Ca 0.12 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1yhq n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhq s VAL 103 N -2.00 4.02 0.12 1.61 1.01 -1.14 -4.95 120.40 119.07 1yhq s VAL 103 Ca 0.00 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.34 1yhq s VAL 103 Cb 0.00 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 1yhq s VAL 103 CO 0.00 0.53 1.40 -2.84 0.00 0.00 0.00 175.10 174.19 1yhq s PRO 104 N -0.08 4.31 0.17 2.72 0.02 -1.26 -2.93 135.00 137.96 1yhq s PRO 104 Ca 0.02 2.10 0.07 0.00 0.02 0.00 0.00 61.00 63.21 1yhq s PRO 104 Cb -0.13 -3.24 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 1yhq s PRO 104 CO 0.02 -0.44 -0.14 0.08 -0.33 0.00 0.00 177.00 176.20 1yhq s VAL 105 N 1.05 1.52 0.08 3.83 1.01 -0.09 -0.75 120.40 127.05 1yhq s VAL 105 Ca 0.65 -2.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.49 1yhq s VAL 105 Cb -0.37 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1yhq s VAL 105 CO 0.31 -0.58 0.14 0.00 0.00 0.00 0.00 175.10 174.96 1yhq n ASN 107 N -0.02 -3.00 -4.74 0.00 5.15 0.15 -1.30 115.26 111.49 1yhq n ASN 107 Ca -0.15 -0.74 -0.41 0.00 -0.60 0.00 0.00 54.58 52.69 1yhq n ASN 107 Cb 0.62 -4.64 -0.05 0.00 -0.53 0.00 0.00 39.78 35.18 1yhq n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1yhq s VAL 108 N -3.48 4.22 0.40 3.44 1.01 -0.18 -4.35 120.40 121.46 1yhq s VAL 108 Ca 0.14 2.01 -0.23 0.00 0.00 0.00 0.00 61.98 63.89 1yhq s VAL 108 Cb -0.03 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.98 1yhq s VAL 108 CO 0.77 0.38 0.99 -1.61 0.00 0.00 0.00 175.10 175.64 1yhq s GLU 109 N -0.56 4.22 -0.15 2.72 2.02 -0.91 -0.20 118.70 125.84 1yhq s GLU 109 Ca 0.45 1.33 -0.18 0.00 0.02 0.00 0.00 54.97 56.58 1yhq s GLU 109 Cb -0.25 -2.42 -0.16 0.00 0.10 0.00 0.00 34.13 31.40 1yhq s GLU 109 CO 0.32 -0.06 0.33 1.03 0.02 0.00 0.00 175.26 176.90 1yhq h SER 110 N 2.32 0.00 -3.88 -0.19 0.87 -1.92 -3.46 113.55 107.29 1yhq h SER 110 Ca -0.48 -0.52 -0.68 0.00 -1.23 0.00 0.00 61.79 58.87 1yhq h SER 110 Cb 1.20 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.87 1yhq h SER 110 CO 0.62 1.00 -0.85 -0.55 -0.53 0.00 0.00 176.83 176.52 1yhq s SER 111 N -6.19 3.39 -0.05 6.23 0.15 -1.26 -4.73 113.70 111.24 1yhq s SER 111 Ca -0.17 -0.43 -0.39 0.00 0.70 0.00 0.00 55.95 55.66 1yhq s SER 111 Cb 0.01 -0.99 -0.18 0.00 -1.71 0.00 0.00 66.02 63.15 1yhq s SER 111 CO 0.46 0.25 1.38 -0.81 1.20 0.00 0.00 173.24 175.71 1yhq n PRO 112 N 2.95 0.79 -0.80 5.44 -0.04 -1.26 -1.61 135.00 140.47 1yhq n PRO 112 Ca -0.18 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1yhq n PRO 112 Cb 0.52 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1yhq n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yhq n GLY 113 N 2.74 0.68 0.01 0.55 0.00 -1.26 -4.92 105.19 102.98 1yhq n GLY 113 Ca 0.21 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1yhq n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yhq n ASP 114 N 0.00 0.03 0.00 1.61 5.68 -0.64 -4.91 116.55 118.32 1yhq n ASP 114 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 1yhq n ASP 114 Cb 0.00 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1yhq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yhq n GLY 115 N 1.26 0.75 0.00 6.12 0.00 -1.26 -4.89 105.19 107.17 1yhq n GLY 115 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1yhq n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 116 N -2.13 1.91 0.30 -0.02 0.00 -1.26 -1.97 105.19 102.02 1yhq n GLY 116 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1yhq n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yhq n LYS 117 N 2.66 0.00 -3.39 1.61 4.76 0.71 -4.87 118.16 119.64 1yhq n LYS 117 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 1yhq n LYS 117 Cb 0.00 -0.55 -0.04 0.00 -1.84 0.00 0.00 35.03 32.59 1yhq n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1yhq s PHE 118 N -1.40 3.46 -0.53 2.13 0.40 -0.06 -4.68 117.98 117.29 1yhq s PHE 118 Ca 0.00 0.72 -0.21 0.00 -0.60 0.00 0.00 56.93 56.84 1yhq s PHE 118 Cb 0.00 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.41 1yhq s PHE 118 CO 0.00 0.23 0.64 0.00 0.70 0.00 0.00 175.22 176.79 1yhq n ALA 119 N -0.55 -2.64 0.00 5.36 0.00 -1.26 -1.01 120.51 120.40 1yhq n ALA 119 Ca -0.01 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1yhq n ALA 119 Cb 0.53 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1yhq n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yhq n ARG 120 N -0.74 4.02 -1.83 0.00 1.74 -1.26 0.29 116.66 118.88 1yhq n ARG 120 Ca -0.04 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 1yhq n ARG 120 Cb 0.59 -0.29 0.03 0.00 -1.02 0.00 0.00 32.46 31.76 1yhq n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yhq s ALA 121 N -0.58 2.95 -0.12 7.54 0.00 -1.26 -4.95 121.76 125.34 1yhq s ALA 121 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 51.96 51.38 1yhq s ALA 121 Cb 0.00 -3.07 -0.20 0.00 0.00 0.00 0.00 23.12 19.85 1yhq s ALA 121 CO 0.00 -0.94 1.21 0.43 0.00 0.00 0.00 175.76 176.46 1yhq n SER 122 N -2.90 0.34 0.00 0.00 7.64 -1.26 -2.19 113.62 115.25 1yhq n SER 122 Ca 0.06 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1yhq n SER 122 Cb 0.55 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1yhq n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yhq n GLY 123 N 2.13 0.00 3.96 0.23 0.00 -0.84 -4.61 105.19 106.07 1yhq n GLY 123 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1yhq n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yhq s VAL 124 N -0.83 2.26 -0.16 1.61 -7.23 -0.93 -4.65 120.40 110.47 1yhq s VAL 124 Ca 0.00 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 1yhq s VAL 124 Cb 0.00 -2.83 0.13 0.00 0.56 0.00 0.00 36.38 34.24 1yhq s VAL 124 CO 0.00 0.00 1.05 0.54 -0.31 0.00 0.00 175.10 176.38 1yhq s ASN 125 N -4.63 -0.30 0.25 4.85 2.20 -1.26 -1.22 114.94 114.82 1yhq s ASN 125 Ca 0.64 0.27 0.05 0.00 -0.94 0.00 0.00 52.86 52.88 1yhq s ASN 125 Cb -0.08 0.26 -0.03 0.00 -2.00 0.00 0.00 41.25 39.41 1yhq s ASN 125 CO 0.44 -0.32 0.34 0.00 -2.94 0.00 0.00 177.10 174.62 1yhq s ALA 126 N -1.45 3.90 -0.22 3.54 0.00 0.19 -3.95 121.76 123.77 1yhq s ALA 126 Ca 0.01 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1yhq s ALA 126 Cb -0.01 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.50 1yhq s ALA 126 CO -0.01 0.22 -0.15 -1.14 0.00 0.00 0.00 175.76 174.67 1yhq s GLN 127 N -3.98 2.54 -0.13 0.00 2.00 0.56 -0.92 119.66 119.73 1yhq s GLN 127 Ca 0.35 -1.09 -0.29 0.00 -2.00 0.00 0.00 55.36 52.32 1yhq s GLN 127 Cb -0.09 -2.72 -0.02 0.00 0.80 0.00 0.00 33.01 30.98 1yhq s GLN 127 CO 0.29 -0.41 1.25 -1.17 -0.50 0.00 0.00 175.29 174.75 1yhq s LEU 128 N 1.20 4.21 -0.03 3.68 2.96 -1.15 -0.28 118.68 129.28 1yhq s LEU 128 Ca -0.03 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 55.55 1yhq s LEU 128 Cb -0.17 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1yhq s LEU 128 CO -0.09 -0.72 -0.14 0.18 -1.32 0.00 0.00 176.35 174.27 1yhq n LEU 129 N 6.23 1.31 -4.69 -0.68 4.77 -0.60 -0.77 117.00 122.57 1yhq n LEU 129 Ca 0.13 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.99 1yhq n LEU 129 Cb 0.45 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1yhq n LEU 129 CO 0.56 -0.53 -0.32 -0.89 -1.33 0.00 0.00 177.39 174.88 1yhq s THR 130 N -2.24 4.15 0.49 -5.08 2.01 -1.10 -4.45 115.64 109.42 1yhq s THR 130 Ca -0.12 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.27 1yhq s THR 130 Cb 0.02 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1yhq s THR 130 CO 0.17 0.33 0.20 -1.00 -0.69 0.00 0.00 174.62 173.64 1yhq s HIS 131 N -1.13 2.05 0.00 4.92 3.76 -1.26 -1.71 115.29 121.92 1yhq s HIS 131 Ca 0.21 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1yhq s HIS 131 Cb -0.12 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.73 1yhq s HIS 131 CO 0.12 -0.02 0.00 -3.47 -0.85 0.00 0.00 174.74 170.52 1yhq n ASP 132 N -1.42 0.00 0.04 1.40 -0.08 -1.23 -4.85 116.55 110.41 1yhq n ASP 132 Ca -0.07 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.33 1yhq n ASP 132 Cb 0.65 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.18 1yhq n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1yhq n ARG 133 N -0.51 0.32 -0.05 -0.67 1.74 -1.26 -4.45 116.66 111.78 1yhq n ARG 133 Ca 0.00 0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1yhq n ARG 133 Cb 0.00 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 29.76 1yhq n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1yhq n ASN 134 N -2.07 3.23 -3.79 0.55 3.02 -1.26 -4.94 115.26 110.00 1yhq n ASN 134 Ca 0.02 -0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.40 1yhq n ASN 134 Cb 0.45 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.44 1yhq n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1yhq s VAL 135 N -2.19 -0.00 -0.29 2.41 0.11 -1.26 -4.49 120.40 114.68 1yhq s VAL 135 Ca -0.12 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.87 1yhq s VAL 135 Cb 0.03 -0.33 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 1yhq s VAL 135 CO 0.24 0.01 0.09 0.00 -3.33 0.00 0.00 175.10 172.10 1yhq s ALA 136 N 0.22 3.13 -0.15 1.54 0.00 0.13 -3.52 121.76 123.11 1yhq s ALA 136 Ca -0.01 -1.38 -0.22 0.00 0.00 0.00 0.00 51.96 50.36 1yhq s ALA 136 Cb -0.02 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1yhq s ALA 136 CO -0.00 -0.84 0.65 0.08 0.00 0.00 0.00 175.76 175.64 1yhq s VAL 137 N 1.55 5.04 0.05 0.00 1.01 -0.69 -0.40 120.40 126.95 1yhq s VAL 137 Ca 0.04 1.26 0.08 0.00 0.00 0.00 0.00 61.98 63.36 1yhq s VAL 137 Cb -0.17 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1yhq s VAL 137 CO 0.03 0.17 -0.23 -0.69 0.00 0.00 0.00 175.10 174.38 1yhq s VAL 138 N 1.45 1.88 -0.36 2.92 1.01 0.42 -1.55 120.40 126.17 1yhq s VAL 138 Ca 0.32 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1yhq s VAL 138 Cb -0.16 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1yhq s VAL 138 CO 0.13 0.25 0.18 -0.75 0.00 0.00 0.00 175.10 174.90 1yhq s LYS 139 N -1.29 2.86 0.73 2.72 2.20 0.62 0.79 119.74 128.37 1yhq s LYS 139 Ca 0.09 -1.05 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1yhq s LYS 139 Cb -0.09 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.59 1yhq s LYS 139 CO 0.02 -0.65 1.08 -0.51 -0.36 0.00 0.00 175.35 174.92 1yhq s LEU 140 N 1.54 2.90 0.64 5.43 1.43 -0.19 -0.32 118.68 130.11 1yhq s LEU 140 Ca 0.02 1.40 0.30 0.00 -1.03 0.00 0.00 54.13 54.81 1yhq s LEU 140 Cb -0.19 -4.18 1.61 0.00 0.03 0.00 0.00 46.19 43.46 1yhq s LEU 140 CO 0.06 -1.57 1.93 1.55 0.23 0.00 0.00 176.35 178.55 1yhq h PRO 141 N -0.81 0.00 -0.00 1.29 0.13 -1.90 0.21 132.00 130.92 1yhq h PRO 141 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1yhq h PRO 141 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1yhq h PRO 141 CO 0.59 0.00 -0.08 -1.13 -0.23 0.00 0.00 178.00 177.16 1yhq n SER 142 N -3.13 0.09 0.00 1.44 3.41 -1.26 -4.89 113.62 109.28 1yhq n SER 142 Ca 0.00 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1yhq n SER 142 Cb 0.43 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1yhq n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yhq n GLY 143 N 1.48 0.17 3.77 5.00 0.00 0.73 -5.07 105.19 111.27 1yhq n GLY 143 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1yhq n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yhq s GLU 144 N -0.92 4.42 -0.47 1.61 2.12 -1.25 -4.76 118.70 119.45 1yhq s GLU 144 Ca 0.00 1.73 -0.22 0.00 0.36 0.00 0.00 54.97 56.84 1yhq s GLU 144 Cb 0.00 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.49 1yhq s GLU 144 CO 0.00 0.03 0.76 -1.64 -0.54 0.00 0.00 175.26 173.88 1yhq s MET 145 N -1.87 3.33 -0.23 4.30 -1.94 -1.26 -1.02 119.30 120.61 1yhq s MET 145 Ca 0.50 -0.29 -0.08 0.00 -1.71 0.00 0.00 55.69 54.11 1yhq s MET 145 Cb -0.29 -3.98 -0.04 0.00 2.01 0.00 0.00 34.83 32.53 1yhq s MET 145 CO 0.37 -1.18 0.10 0.21 -0.01 0.00 0.00 175.02 174.51 1yhq s LYS 146 N 3.23 3.86 -0.12 2.03 2.47 0.24 -4.92 119.74 126.52 1yhq s LYS 146 Ca 0.27 -0.38 -0.25 0.00 -1.56 0.00 0.00 55.97 54.05 1yhq s LYS 146 Cb -0.13 -3.37 -0.02 0.00 -1.46 0.00 0.00 37.83 32.84 1yhq s LYS 146 CO 0.20 -0.00 0.79 1.03 0.16 0.00 0.00 175.35 177.53 1yhq s ARG 147 N 1.16 4.36 0.12 4.03 0.52 -1.26 -0.43 118.95 127.45 1yhq s ARG 147 Ca 0.05 0.99 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 1yhq s ARG 147 Cb -0.14 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1yhq s ARG 147 CO 0.04 -0.17 -0.09 -0.51 0.02 0.00 0.00 175.30 174.59 1yhq s LEU 148 N 1.59 2.50 0.12 2.53 1.43 0.46 -4.95 118.68 122.36 1yhq s LEU 148 Ca 0.39 -0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 52.21 1yhq s LEU 148 Cb -0.17 -0.25 -0.08 0.00 0.03 0.00 0.00 46.19 45.71 1yhq s LEU 148 CO 0.16 -0.36 1.38 -0.62 0.23 0.00 0.00 176.35 177.13 1yhq s ASP 149 N -2.99 6.84 0.00 2.29 -1.08 -1.26 0.18 116.67 120.65 1yhq s ASP 149 Ca 0.13 2.33 0.00 0.00 -0.52 0.00 0.00 52.55 54.49 1yhq s ASP 149 Cb 0.02 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1yhq s ASP 149 CO -0.01 -0.64 0.99 -0.81 0.52 0.00 0.00 175.17 175.22 1yhq n PRO 150 N 3.81 0.00 0.00 4.34 -0.04 -1.26 -0.84 135.00 141.01 1yhq n PRO 150 Ca 0.11 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.17 1yhq n PRO 150 Cb 0.42 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.88 1yhq n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1yhq n GLN 151 N -1.48 0.32 -2.18 0.54 -0.06 -1.26 -1.37 117.38 111.89 1yhq n GLN 151 Ca 0.00 -0.12 -0.42 0.00 -2.00 0.00 0.00 57.00 54.46 1yhq n GLN 151 Cb 0.00 -1.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.66 1yhq n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1yhq s ARG 153 N 2.72 3.15 0.11 0.00 0.52 -1.26 -0.92 118.95 123.26 1yhq s ARG 153 Ca 0.65 1.09 -0.25 0.00 -0.52 0.00 0.00 55.73 56.71 1yhq s ARG 153 Cb -0.32 -2.01 0.07 0.00 0.52 0.00 0.00 34.95 33.21 1yhq s ARG 153 CO 0.27 -0.94 0.62 0.00 0.02 0.00 0.00 175.30 175.26 1yhq s ALA 154 N -2.72 -1.64 -0.12 2.13 0.00 -0.90 -2.15 121.76 116.37 1yhq s ALA 154 Ca 0.61 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 1yhq s ALA 154 Cb -0.15 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.60 1yhq s ALA 154 CO 0.45 -0.67 0.10 0.99 0.00 0.00 0.00 175.76 176.62 1yhq s THR 155 N -3.12 5.13 0.09 0.00 2.01 -0.42 -1.63 115.64 117.70 1yhq s THR 155 Ca -0.02 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.76 1yhq s THR 155 Cb -0.01 -3.23 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 1yhq s THR 155 CO -0.07 0.59 0.94 -0.63 -0.69 0.00 0.00 174.62 174.75 1yhq s ILE 156 N -0.74 4.57 0.00 1.82 1.01 -0.14 -0.33 121.20 127.39 1yhq s ILE 156 Ca 0.13 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1yhq s ILE 156 Cb -0.12 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1yhq s ILE 156 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1yhq n GLY 157 N 2.34 -0.35 3.79 6.18 0.00 0.07 -0.84 105.19 116.39 1yhq n GLY 157 Ca 0.02 -2.27 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 1yhq n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yhq s VAL 158 N -0.70 4.49 0.45 1.61 -7.23 -1.26 -3.25 120.40 114.50 1yhq s VAL 158 Ca 0.00 -1.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.90 1yhq s VAL 158 Cb 0.00 -3.26 -0.08 0.00 0.56 0.00 0.00 36.38 33.60 1yhq s VAL 158 CO 0.00 -0.06 1.28 -0.69 -0.31 0.00 0.00 175.10 175.32 1yhq s VAL 159 N -1.68 2.62 0.96 1.32 1.01 -0.36 0.36 120.40 124.64 1yhq s VAL 159 Ca 0.31 0.51 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1yhq s VAL 159 Cb -0.10 -3.29 0.17 0.00 0.00 0.00 0.00 36.38 33.16 1yhq s VAL 159 CO 0.23 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.46 1yhq s ALA 160 N -1.34 1.11 0.00 5.51 0.00 -0.59 -1.98 121.76 124.48 1yhq s ALA 160 Ca 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1yhq s ALA 160 Cb -0.36 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1yhq s ALA 160 CO 0.45 -2.70 0.00 0.41 0.00 0.00 0.00 175.76 173.92 1yhq n GLY 161 N -0.90 0.45 3.65 0.00 0.00 -1.26 -2.15 105.19 104.98 1yhq n GLY 161 Ca 0.06 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1yhq n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 162 N -2.95 -0.06 1.84 -0.02 0.00 -1.26 -3.15 105.19 99.58 1yhq n GLY 162 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1yhq n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 163 N 1.18 0.73 0.35 -0.02 0.00 -1.26 -4.87 105.19 101.30 1yhq n GLY 163 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1yhq n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1yhq h ARG 164 N 2.44 0.63 0.00 1.61 2.43 -1.91 -0.35 114.38 119.23 1yhq h ARG 164 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1yhq h ARG 164 Cb 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1yhq h ARG 164 CO 0.00 0.42 0.00 1.15 -1.51 0.00 0.00 179.97 180.03 1yhq h THR 165 N 0.65 0.00 0.00 0.20 2.02 -1.91 -3.27 112.91 110.60 1yhq h THR 165 Ca 0.31 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1yhq h THR 165 Cb 0.38 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1yhq h THR 165 CO -0.10 0.00 -0.11 0.44 0.37 0.00 0.00 175.52 176.11 1yhq h ASP 166 N 0.00 0.00 -3.19 4.18 3.32 -1.46 -3.42 116.42 115.85 1yhq h ASP 166 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1yhq h ASP 166 Cb 0.53 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.99 1yhq h ASP 166 CO 0.00 0.11 -0.35 -0.75 -1.72 0.00 0.00 179.24 176.54 1yhq s LYS 167 N -4.52 4.13 0.50 3.56 2.20 -1.23 -5.08 119.74 119.30 1yhq s LYS 167 Ca -0.04 0.07 -0.20 0.00 -0.36 0.00 0.00 55.97 55.45 1yhq s LYS 167 Cb 0.15 -3.38 -0.08 0.00 -1.51 0.00 0.00 37.83 33.01 1yhq s LYS 167 CO 0.63 0.35 1.04 -1.25 -0.36 0.00 0.00 175.35 175.75 1yhq s PRO 168 N 0.14 3.76 0.48 4.03 0.04 -1.26 -4.92 135.00 137.25 1yhq s PRO 168 Ca 0.16 1.32 0.25 0.00 0.04 0.00 0.00 61.00 62.77 1yhq s PRO 168 Cb -0.13 -2.09 1.16 0.00 0.04 0.00 0.00 34.50 33.48 1yhq s PRO 168 CO 0.04 -0.46 1.94 0.74 0.04 0.00 0.00 177.00 179.30 1yhq h PHE 169 N 1.40 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 112.47 1yhq h PHE 169 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 1yhq h PHE 169 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 1yhq h PHE 169 CO 0.57 0.18 0.00 0.28 -1.61 0.00 0.00 178.31 177.74 1yhq n VAL 170 N -3.50 0.00 -4.22 -0.55 0.31 -1.26 -4.64 118.33 104.46 1yhq n VAL 170 Ca -0.01 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1yhq n VAL 170 Cb 0.34 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.16 1yhq n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1yhq s LYS 171 N 0.00 0.97 0.28 5.55 -2.85 -1.26 -5.04 119.74 117.39 1yhq s LYS 171 Ca 0.00 -1.12 0.02 0.00 -1.00 0.00 0.00 55.97 53.87 1yhq s LYS 171 Cb 0.00 -0.95 0.62 0.00 -2.06 0.00 0.00 37.83 35.44 1yhq s LYS 171 CO 0.00 0.20 1.77 0.00 0.10 0.00 0.00 175.35 177.42 1yhq h ALA 172 N 3.88 1.45 -0.80 0.59 0.00 -2.01 -1.18 119.26 121.20 1yhq h ALA 172 Ca -0.41 0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.71 1yhq h ALA 172 Cb 1.19 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1yhq h ALA 172 CO 0.45 -0.07 0.52 0.78 0.00 0.00 0.00 179.25 180.93 1yhq h GLY 173 N 0.69 0.97 1.10 0.00 0.00 -1.96 0.19 103.07 104.05 1yhq h GLY 173 Ca 0.51 -0.26 -0.16 0.00 0.00 0.00 0.00 47.33 47.43 1yhq h GLY 173 CO -0.37 0.11 -0.40 3.43 0.00 0.00 0.00 176.54 179.31 1yhq h ASN 174 N 0.61 0.95 -0.16 0.19 2.35 -1.47 -2.42 115.58 115.62 1yhq h ASN 174 Ca 0.38 -0.48 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1yhq h ASN 174 Cb 0.64 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1yhq h ASN 174 CO -0.15 1.24 0.10 0.50 -1.65 0.00 0.00 177.43 177.47 1yhq h LYS 175 N 0.68 0.22 -0.64 0.81 3.11 -1.19 -2.77 116.57 116.78 1yhq h LYS 175 Ca 0.05 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 57.97 1yhq h LYS 175 Cb 1.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 32.23 32.07 1yhq h LYS 175 CO 0.10 0.18 -0.40 1.25 -2.81 0.00 0.00 179.45 177.77 1yhq h HIS 176 N 0.19 -1.15 -0.66 1.91 2.76 -0.47 0.62 115.15 118.35 1yhq h HIS 176 Ca 0.06 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1yhq h HIS 176 Cb 0.02 0.60 -0.03 0.00 1.55 0.00 0.00 27.41 29.54 1yhq h HIS 176 CO -0.06 -0.41 0.41 0.45 -1.30 0.00 0.00 177.93 177.03 1yhq h HIS 177 N -0.17 0.85 -0.18 5.26 3.86 -1.26 -1.69 115.15 121.82 1yhq h HIS 177 Ca 0.22 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.34 1yhq h HIS 177 Cb 0.56 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 1yhq h HIS 177 CO -0.71 0.55 -0.27 -0.22 0.86 0.00 0.00 177.93 178.14 1yhq h LYS 178 N 0.90 0.49 -0.19 2.45 3.64 -0.93 -3.16 116.57 119.78 1yhq h LYS 178 Ca 0.24 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1yhq h LYS 178 Cb -0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1yhq h LYS 178 CO -0.05 0.89 0.13 1.98 -2.27 0.00 0.00 179.45 180.13 1yhq h MET 179 N 0.14 0.19 0.00 1.90 4.05 -0.54 -0.55 114.93 120.12 1yhq h MET 179 Ca 0.02 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1yhq h MET 179 Cb 0.85 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1yhq h MET 179 CO 0.06 0.13 0.00 1.17 0.23 0.00 0.00 176.91 178.50 1yhq n LYS 180 N -4.51 0.17 -0.55 0.39 4.81 -0.67 -1.78 118.16 116.02 1yhq n LYS 180 Ca 0.00 0.51 0.08 0.00 -0.87 0.00 0.00 58.31 58.04 1yhq n LYS 180 Cb 0.12 -1.90 0.31 0.00 0.02 0.00 0.00 35.03 33.57 1yhq n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yhq n ALA 181 N -1.77 3.05 -2.27 3.14 0.00 -0.22 -4.76 120.51 117.69 1yhq n ALA 181 Ca 0.01 -1.77 -0.15 0.00 0.00 0.00 0.00 53.44 51.53 1yhq n ALA 181 Cb 0.15 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 1yhq n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yhq s ARG 182 N -2.11 1.15 -1.24 0.00 1.81 -0.74 -4.72 118.95 113.10 1yhq s ARG 182 Ca 0.45 -1.54 -0.15 0.00 -1.72 0.00 0.00 55.73 52.76 1yhq s ARG 182 Cb 0.31 -0.45 0.13 0.00 -0.45 0.00 0.00 34.95 34.50 1yhq s ARG 182 CO 0.18 -0.06 1.55 0.20 -0.68 0.00 0.00 175.30 176.48 1yhq s GLY 183 N -3.20 2.12 -0.07 -3.53 0.00 -1.26 -4.56 107.32 96.82 1yhq s GLY 183 Ca 0.23 -3.20 -0.21 0.00 0.00 0.00 0.00 44.72 41.54 1yhq s GLY 183 CO 0.04 2.30 0.48 -1.59 0.00 0.00 0.00 173.10 174.34 1yhq s THR 184 N 2.56 0.02 -0.22 0.90 2.01 -1.25 -4.82 115.64 114.84 1yhq s THR 184 Ca 0.47 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.15 1yhq s THR 184 Cb -0.00 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 1yhq s THR 184 CO 0.03 -0.11 0.23 -0.75 -0.69 0.00 0.00 174.62 173.33 1yhq s LYS 185 N -0.87 4.12 -0.01 4.92 2.47 -1.26 -4.86 119.74 124.25 1yhq s LYS 185 Ca -0.09 -0.12 -0.12 0.00 -1.56 0.00 0.00 55.97 54.08 1yhq s LYS 185 Cb -0.03 -3.52 0.02 0.00 -1.46 0.00 0.00 37.83 32.83 1yhq s LYS 185 CO 0.05 0.06 0.24 -0.46 0.16 0.00 0.00 175.35 175.41 1yhq s TRP 186 N 1.03 -0.11 0.93 4.03 -0.00 -1.26 -4.79 118.94 118.77 1yhq s TRP 186 Ca 0.11 0.15 -0.16 0.00 -0.00 0.00 0.00 56.10 56.21 1yhq s TRP 186 Cb -0.14 0.04 0.23 0.00 -0.00 0.00 0.00 33.47 33.61 1yhq s TRP 186 CO 0.05 -0.34 0.85 -0.35 -0.00 0.00 0.00 176.95 177.16 1yhq n PRO 187 N 1.44 -2.53 -3.99 5.86 -0.04 -1.26 -5.11 135.00 129.37 1yhq n PRO 187 Ca -0.21 -1.36 -0.34 0.00 -0.04 0.00 0.00 63.50 61.54 1yhq n PRO 187 Cb 0.56 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.63 1yhq n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1yhq s ASN 188 N -3.84 3.96 -0.11 3.54 0.01 -1.26 -5.09 114.94 112.15 1yhq s ASN 188 Ca 0.55 -0.62 -0.19 0.00 -0.71 0.00 0.00 52.86 51.89 1yhq s ASN 188 Cb -0.05 -1.64 -0.04 0.00 0.41 0.00 0.00 41.25 39.93 1yhq s ASN 188 CO 0.42 -0.05 0.53 -0.69 -1.51 0.00 0.00 177.10 175.80 1yhq s VAL 189 N 1.38 5.15 0.42 1.60 1.01 -1.26 -5.04 120.40 123.66 1yhq s VAL 189 Ca 0.04 1.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 1yhq s VAL 189 Cb -0.15 -3.87 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1yhq s VAL 189 CO -0.06 0.30 1.22 -0.13 0.00 0.00 0.00 175.10 176.43 1yhq s ARG 190 N 0.71 3.94 0.24 2.72 0.52 -1.26 -4.92 118.95 120.90 1yhq s ARG 190 Ca 0.28 1.96 -0.06 0.00 -0.52 0.00 0.00 55.73 57.39 1yhq s ARG 190 Cb -0.16 -2.65 0.25 0.00 0.52 0.00 0.00 34.95 32.92 1yhq s ARG 190 CO 0.12 -0.46 1.92 0.78 0.02 0.00 0.00 175.30 177.68 1yhq h GLY 191 N 2.51 1.36 2.00 -3.53 0.00 -1.96 -1.38 103.07 102.07 1yhq h GLY 191 Ca -0.49 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.34 1yhq h GLY 191 CO 0.62 0.47 0.00 -2.08 0.00 0.00 0.00 176.54 175.55 1yhq h VAL 192 N 1.28 0.00 -0.21 4.60 2.07 -1.92 -0.43 116.25 121.64 1yhq h VAL 192 Ca 0.36 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1yhq h VAL 192 Cb -0.12 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1yhq h VAL 192 CO -0.09 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.50 1yhq n ALA 193 N -1.90 2.49 -2.10 1.67 0.00 -0.52 -4.61 120.51 115.55 1yhq n ALA 193 Ca -0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 52.56 1yhq n ALA 193 Cb 0.10 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.57 1yhq n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1yhq s MET 194 N -1.74 2.46 0.49 0.00 -1.94 -0.17 -5.00 119.30 113.39 1yhq s MET 194 Ca 0.34 -1.58 -0.11 0.00 -1.71 0.00 0.00 55.69 52.63 1yhq s MET 194 Cb 0.19 -2.58 -0.06 0.00 2.01 0.00 0.00 34.83 34.40 1yhq s MET 194 CO 0.29 -0.61 0.88 -0.80 -0.01 0.00 0.00 175.02 174.76 1yhq s ASN 195 N -4.48 6.45 0.35 3.03 0.01 -1.26 -1.23 114.94 117.81 1yhq s ASN 195 Ca 0.55 1.26 0.09 0.00 -0.71 0.00 0.00 52.86 54.06 1yhq s ASN 195 Cb -0.06 -2.38 0.83 0.00 0.41 0.00 0.00 41.25 40.05 1yhq s ASN 195 CO 0.34 -0.56 1.85 0.00 -1.51 0.00 0.00 177.10 177.22 1yhq h ALA 196 N 0.70 1.85 0.00 0.60 0.00 -1.83 -0.89 119.26 119.70 1yhq h ALA 196 Ca -0.46 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1yhq h ALA 196 Cb 1.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1yhq h ALA 196 CO 0.62 -0.12 -0.12 -0.24 0.00 0.00 0.00 179.25 179.40 1yhq h VAL 197 N 0.68 0.81 0.00 0.00 3.04 -1.92 -3.13 116.25 115.72 1yhq h VAL 197 Ca 0.47 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1yhq h VAL 197 Cb 0.81 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1yhq h VAL 197 CO -0.23 0.12 -0.84 0.47 -1.01 0.00 0.00 177.57 176.08 1yhq n ASP 198 N -3.99 0.63 -3.56 3.17 8.00 -0.35 -1.30 116.55 119.16 1yhq n ASP 198 Ca -0.02 -0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 1yhq n ASP 198 Cb 0.21 0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 41.81 1yhq n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1yhq s HIS 199 N -3.15 -0.47 0.54 1.24 2.46 -1.18 -4.47 115.29 110.26 1yhq s HIS 199 Ca 0.06 0.80 0.26 0.00 0.47 0.00 0.00 55.06 56.65 1yhq s HIS 199 Cb 0.15 0.44 1.44 0.00 -0.13 0.00 0.00 32.58 34.47 1yhq s HIS 199 CO 0.77 -0.44 2.01 -1.35 -2.47 0.00 0.00 174.74 173.26 1yhq h PRO 200 N 2.71 0.00 -0.10 2.88 0.11 -1.84 0.34 132.00 136.10 1yhq h PRO 200 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1yhq h PRO 200 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yhq h PRO 200 CO 0.34 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.32 1yhq n PHE 201 N -4.23 0.10 -1.48 0.65 0.99 -1.26 -4.64 117.46 107.59 1yhq n PHE 201 Ca 0.08 -0.05 -0.29 0.00 -0.00 0.00 0.00 57.45 57.18 1yhq n PHE 201 Cb 0.54 0.00 0.12 0.00 -1.00 0.00 0.00 39.48 39.14 1yhq n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1yhq s GLY 202 N -1.87 1.60 0.00 1.37 0.00 0.11 -4.10 107.32 104.43 1yhq s GLY 202 Ca 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1yhq s GLY 202 CO 0.31 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.20 1yhq n GLY 203 N -1.94 -3.04 0.00 0.20 0.00 -0.37 -3.91 105.19 96.13 1yhq n GLY 203 Ca 0.07 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1yhq n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 204 N -0.15 0.18 0.06 -0.02 0.00 -1.26 -4.72 105.19 99.27 1yhq n GLY 204 Ca 0.00 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.52 1yhq n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 205 N 0.48 -1.50 3.29 -0.02 0.00 -1.26 -4.79 105.19 101.39 1yhq n GLY 205 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1yhq n GLY 205 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yhq s ARG 206 N -3.09 1.05 -0.26 1.61 1.70 -1.26 -5.14 118.95 113.57 1yhq s ARG 206 Ca 0.10 -1.08 -0.26 0.00 -0.47 0.00 0.00 55.73 54.02 1yhq s ARG 206 Cb 0.14 0.37 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1yhq s ARG 206 CO 0.51 -0.37 0.91 -0.65 -1.08 0.00 0.00 175.30 174.61 1yhq s GLN 207 N -3.92 4.16 -0.27 3.89 -0.21 -1.26 -4.99 119.66 117.06 1yhq s GLN 207 Ca 0.12 1.02 -0.26 0.00 0.02 0.00 0.00 55.36 56.27 1yhq s GLN 207 Cb 0.04 -3.66 0.16 0.00 1.00 0.00 0.00 33.01 30.54 1yhq s GLN 207 CO -0.04 -0.61 1.23 -3.38 -2.12 0.00 0.00 175.29 170.37 1yhq s HIS 208 N 3.04 -0.24 0.69 0.91 -3.43 -1.26 -5.10 115.29 109.89 1yhq s HIS 208 Ca 0.38 0.56 -0.15 0.00 -0.80 0.00 0.00 55.06 55.05 1yhq s HIS 208 Cb -0.15 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.46 1yhq s HIS 208 CO 0.08 -0.14 1.17 -1.25 -2.00 0.00 0.00 174.74 172.61 1yhq s PRO 209 N -0.16 2.43 -0.33 -0.38 0.04 -1.26 -4.88 135.00 130.46 1yhq s PRO 209 Ca 0.05 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.83 1yhq s PRO 209 Cb -0.04 -1.88 0.75 0.00 0.04 0.00 0.00 34.50 33.37 1yhq s PRO 209 CO -0.09 -1.58 1.82 0.41 0.04 0.00 0.00 177.00 177.60 1yhq n GLY 210 N 0.12 3.68 3.79 0.56 0.00 -1.26 -4.94 105.19 107.14 1yhq n GLY 210 Ca 0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 1yhq n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq s LYS 211 N -3.00 1.15 0.48 1.61 1.02 -1.26 -5.14 119.74 114.60 1yhq s LYS 211 Ca 0.55 -0.68 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 1yhq s LYS 211 Cb 0.44 0.36 -0.07 0.00 -0.52 0.00 0.00 37.83 38.04 1yhq s LYS 211 CO 0.14 -0.53 1.14 -1.25 -0.92 0.00 0.00 175.35 173.92 1yhq s PRO 212 N -2.74 3.69 0.44 -1.68 0.04 -1.26 -4.93 135.00 128.56 1yhq s PRO 212 Ca 0.16 1.69 0.26 0.00 0.04 0.00 0.00 61.00 63.15 1yhq s PRO 212 Cb -0.01 -2.30 0.66 0.00 0.04 0.00 0.00 34.50 32.90 1yhq s PRO 212 CO 0.03 -0.59 1.72 0.87 0.04 0.00 0.00 177.00 179.07 1yhq h LYS 213 N 1.84 0.00 -6.40 4.56 1.57 -1.95 -3.43 116.57 112.75 1yhq h LYS 213 Ca -0.49 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.74 1yhq h LYS 213 Cb 1.25 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.50 1yhq h LYS 213 CO 0.59 0.00 1.10 -1.12 -0.57 0.00 0.00 179.45 179.45 1yhq s SER 214 N -5.84 6.13 0.05 0.86 0.01 -1.26 -1.10 113.70 112.55 1yhq s SER 214 Ca 0.06 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.51 1yhq s SER 214 Cb 0.07 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1yhq s SER 214 CO 0.62 -1.72 0.29 -0.51 0.41 0.00 0.00 173.24 172.34 1yhq s ILE 215 N 6.04 5.27 0.70 1.44 1.10 -0.77 -4.92 121.20 130.07 1yhq s ILE 215 Ca 0.51 0.08 -0.15 0.00 -0.51 0.00 0.00 60.65 60.59 1yhq s ILE 215 Cb -0.10 -3.59 0.02 0.00 0.15 0.00 0.00 42.46 38.93 1yhq s ILE 215 CO 0.24 0.26 1.14 -0.55 -2.11 0.00 0.00 174.94 173.92 1yhq s SER 216 N -1.98 4.70 0.32 4.50 0.15 -1.26 -0.43 113.70 119.71 1yhq s SER 216 Ca 0.32 2.11 0.02 0.00 0.70 0.00 0.00 55.95 59.10 1yhq s SER 216 Cb -0.13 -2.56 0.54 0.00 -1.71 0.00 0.00 66.02 62.16 1yhq s SER 216 CO 0.20 -1.91 1.88 0.03 1.20 0.00 0.00 173.24 174.64 1yhq h ARG 217 N -0.20 0.68 0.00 5.44 2.47 -1.95 -2.66 114.38 118.16 1yhq h ARG 217 Ca -0.47 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 1yhq h ARG 217 Cb 1.26 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1yhq h ARG 217 CO 0.52 0.61 0.00 0.09 0.56 0.00 0.00 179.97 181.75 1yhq n ASN 218 N -4.31 0.00 -4.71 7.04 3.02 -1.26 -4.88 115.26 110.16 1yhq n ASN 218 Ca 0.03 -0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.15 1yhq n ASN 218 Cb 0.20 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 1yhq n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yhq n ALA 219 N -1.31 1.51 -1.60 5.41 0.00 -1.00 -4.96 120.51 118.57 1yhq n ALA 219 Ca 0.11 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 1yhq n ALA 219 Cb 0.21 -2.29 0.04 0.00 0.00 0.00 0.00 19.45 17.41 1yhq n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1yhq s PRO 220 N -1.73 3.05 0.43 0.00 0.04 -1.26 -4.60 135.00 130.94 1yhq s PRO 220 Ca 0.56 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.38 1yhq s PRO 220 Cb -0.56 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 1yhq s PRO 220 CO 0.61 -1.01 1.33 -1.25 0.04 0.00 0.00 177.00 176.72 1yhq s PRO 221 N -4.74 3.83 0.00 0.56 0.04 -1.26 -1.39 135.00 132.03 1yhq s PRO 221 Ca 0.60 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1yhq s PRO 221 Cb -0.15 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1yhq s PRO 221 CO 0.49 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1yhq n GLY 222 N 0.63 2.61 0.00 0.56 0.00 -1.26 -4.77 105.19 102.97 1yhq n GLY 222 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1yhq n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yhq n ARG 223 N -1.30 2.40 -2.21 1.61 0.63 -0.49 -4.72 116.66 112.58 1yhq n ARG 223 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1yhq n ARG 223 Cb 0.00 -0.83 -0.04 0.00 0.45 0.00 0.00 32.46 32.04 1yhq n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1yhq s LYS 224 N -1.52 2.85 0.17 -0.14 2.20 -0.77 -4.88 119.74 117.65 1yhq s LYS 224 Ca 0.00 -0.06 -0.09 0.00 -0.36 0.00 0.00 55.97 55.47 1yhq s LYS 224 Cb 0.00 -4.68 -0.01 0.00 -1.51 0.00 0.00 37.83 31.63 1yhq s LYS 224 CO 0.00 -2.74 0.28 0.14 -0.36 0.00 0.00 175.35 172.67 1yhq s VAL 225 N 8.17 0.06 0.00 4.02 -7.23 -1.26 -4.99 120.40 119.17 1yhq s VAL 225 Ca 0.59 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.35 1yhq s VAL 225 Cb -0.08 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.99 1yhq s VAL 225 CO 0.09 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 1yhq n GLY 226 N -0.22 0.53 3.45 2.32 0.00 -1.26 -4.50 105.19 105.51 1yhq n GLY 226 Ca -0.07 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 1yhq n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yhq s ASP 227 N -4.00 6.36 -0.11 1.61 1.01 -0.25 -4.96 116.67 116.33 1yhq s ASP 227 Ca 0.00 -1.43 -0.29 0.00 0.71 0.00 0.00 52.55 51.54 1yhq s ASP 227 Cb 0.00 -2.41 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1yhq s ASP 227 CO 0.00 -1.29 1.82 -0.63 0.21 0.00 0.00 175.17 175.28 1yhq s ILE 228 N 3.52 3.38 -0.80 0.77 1.01 -1.26 -1.84 121.20 125.97 1yhq s ILE 228 Ca 0.27 0.43 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 1yhq s ILE 228 Cb -0.12 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.04 1yhq s ILE 228 CO 0.02 -0.11 0.17 0.00 0.00 0.00 0.00 174.94 175.01 1yhq n ALA 229 N 8.42 -0.96 -1.63 9.38 0.00 0.43 -4.82 120.51 131.33 1yhq n ALA 229 Ca 0.20 0.04 -0.53 0.00 0.00 0.00 0.00 53.44 53.15 1yhq n ALA 229 Cb 0.43 -1.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.28 1yhq n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yhq n SER 230 N -1.87 1.96 0.22 0.00 3.41 -1.23 -4.84 113.62 111.29 1yhq n SER 230 Ca -0.04 1.10 0.12 0.00 -0.26 0.00 0.00 58.87 59.79 1yhq n SER 230 Cb 0.54 -1.20 0.28 0.00 -0.26 0.00 0.00 64.21 63.58 1yhq n SER 230 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1yhq h LYS 231 N 5.43 0.00 -1.70 4.33 1.57 -1.96 -3.47 116.57 120.77 1yhq h LYS 231 Ca -0.47 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.58 1yhq h LYS 231 Cb 1.32 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.52 1yhq h LYS 231 CO 0.83 0.09 0.73 -0.98 -0.57 0.00 0.00 179.45 179.55 1yhq s ARG 232 N -3.31 0.60 0.23 3.15 1.70 -1.26 -5.19 118.95 114.87 1yhq s ARG 232 Ca 0.05 -0.32 -0.01 0.00 -0.47 0.00 0.00 55.73 54.98 1yhq s ARG 232 Cb 0.07 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.62 1yhq s ARG 232 CO 0.65 -0.27 0.21 0.95 -1.08 0.00 0.00 175.30 175.76 1yhq s THR 233 N -2.66 0.00 0.00 4.99 -4.23 -1.26 -5.12 115.64 107.36 1yhq s THR 233 Ca 0.13 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1yhq s THR 233 Cb 0.02 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1yhq s THR 233 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1yhq n GLY 234 N -0.36 -1.89 0.02 3.99 0.00 -1.26 -4.75 105.19 100.96 1yhq n GLY 234 Ca 0.03 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 1yhq n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq n ARG 235 N -0.20 2.31 -0.23 1.61 1.74 -1.26 -5.07 116.66 115.55 1yhq n ARG 235 Ca 0.00 0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 1yhq n ARG 235 Cb 0.00 -1.11 0.23 0.00 -1.02 0.00 0.00 32.46 30.56 1yhq n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhq n GLY 236 N 2.89 -3.59 3.27 -0.13 0.00 -1.26 -5.29 105.19 101.08 1yhq n GLY 236 Ca -0.08 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1yhq n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93