#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq h VAL 2 N 0.00 0.51 -0.02 -1.45 -1.51 -2.00 -3.14 116.25 108.65 1yhq h VAL 2 Ca 0.00 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 1yhq h VAL 2 Cb 0.00 2.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1yhq h VAL 2 CO 0.00 0.28 -0.33 0.00 -1.23 0.00 0.00 177.57 176.29 1yhq n TYR 3 N -3.20 0.00 -3.49 5.19 0.18 -1.26 -4.87 117.16 109.71 1yhq n TYR 3 Ca 0.02 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.42 1yhq n TYR 3 Cb 0.61 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.47 1yhq n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1yhq s VAL 4 N -2.26 5.24 -0.24 -3.48 1.01 -1.19 -4.89 120.40 114.59 1yhq s VAL 4 Ca 0.20 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.65 1yhq s VAL 4 Cb 0.18 -3.62 0.20 0.00 0.00 0.00 0.00 36.38 33.15 1yhq s VAL 4 CO 0.48 0.20 1.14 0.47 0.00 0.00 0.00 175.10 177.39 1yhq n ASP 5 N 5.20 2.52 -3.61 3.32 8.00 -1.26 -4.81 116.55 125.90 1yhq n ASP 5 Ca -0.11 -2.41 -0.09 0.00 0.71 0.00 0.00 54.79 52.88 1yhq n ASP 5 Cb 0.51 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 1yhq n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1yhq s PHE 6 N -1.72 -0.38 -0.13 1.24 -0.12 -1.26 -5.12 117.98 110.49 1yhq s PHE 6 Ca 0.18 0.79 -0.13 0.00 -0.05 0.00 0.00 56.93 57.72 1yhq s PHE 6 Cb 0.14 0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 1yhq s PHE 6 CO 0.05 -0.26 0.30 0.34 -0.05 0.00 0.00 175.22 175.60 1yhq s ASP 7 N -0.46 6.49 -0.24 1.98 2.15 -1.26 -4.98 116.67 120.36 1yhq s ASP 7 Ca 0.01 0.58 -0.13 0.00 0.43 0.00 0.00 52.55 53.45 1yhq s ASP 7 Cb -0.03 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.37 1yhq s ASP 7 CO -0.03 0.17 0.27 -0.69 -0.17 0.00 0.00 175.17 174.71 1yhq s VAL 8 N 0.05 5.28 0.39 1.11 1.01 -1.26 -5.06 120.40 121.92 1yhq s VAL 8 Ca 0.18 0.40 -0.27 0.00 0.00 0.00 0.00 61.98 62.28 1yhq s VAL 8 Cb -0.13 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1yhq s VAL 8 CO 0.05 0.28 1.47 -2.65 0.00 0.00 0.00 175.10 174.25 1yhq n PRO 9 N 4.60 2.57 -0.26 2.72 -0.02 -1.26 -4.77 135.00 138.58 1yhq n PRO 9 Ca -0.12 0.90 0.02 0.00 -2.02 0.00 0.00 63.50 62.28 1yhq n PRO 9 Cb 0.52 -2.65 0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1yhq n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yhq h ALA 10 N 2.79 0.52 -0.63 3.55 0.00 -1.99 0.12 119.26 123.62 1yhq h ALA 10 Ca -0.51 0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1yhq h ALA 10 Cb 1.25 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1yhq h ALA 10 CO 0.63 -0.41 0.29 -0.44 0.00 0.00 0.00 179.25 179.32 1yhq h ASP 11 N 0.01 0.37 -0.40 0.00 3.32 -1.99 0.72 116.42 118.44 1yhq h ASP 11 Ca 0.37 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 1yhq h ASP 11 Cb 0.57 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1yhq h ASP 11 CO -0.77 0.23 0.20 0.25 -1.72 0.00 0.00 179.24 177.42 1yhq h LEU 12 N 0.52 0.52 -1.51 1.55 6.46 -1.17 -1.77 115.31 119.91 1yhq h LEU 12 Ca 0.31 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 1yhq h LEU 12 Cb 0.31 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 1yhq h LEU 12 CO -0.25 0.49 0.16 -0.08 -0.62 0.00 0.00 178.44 178.14 1yhq h GLU 13 N 0.50 0.48 0.14 1.25 4.81 -0.46 -1.28 114.58 120.03 1yhq h GLU 13 Ca 0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1yhq h GLU 13 Cb 0.11 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1yhq h GLU 13 CO -0.02 0.39 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.15 1yhq h ASP 14 N 0.49 -0.16 0.01 1.04 3.32 -0.15 -1.69 116.42 119.28 1yhq h ASP 14 Ca 0.12 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.08 1yhq h ASP 14 Cb 0.07 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1yhq h ASP 14 CO -0.02 0.03 -0.20 0.44 -1.72 0.00 0.00 179.24 177.78 1yhq h ASP 15 N -0.34 -0.57 -0.31 6.45 3.32 -0.90 -2.00 116.42 122.07 1yhq h ASP 15 Ca -0.02 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.18 1yhq h ASP 15 Cb 0.27 0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.97 1yhq h ASP 15 CO 0.03 -0.26 -0.34 0.00 -1.72 0.00 0.00 179.24 176.95 1yhq h ALA 16 N 0.57 -0.29 -0.67 3.45 0.00 -1.16 0.31 119.26 121.46 1yhq h ALA 16 Ca 0.05 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1yhq h ALA 16 Cb 0.39 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1yhq h ALA 16 CO -0.17 -0.78 0.44 -0.07 0.00 0.00 0.00 179.25 178.67 1yhq h LEU 17 N -0.32 0.75 -0.75 0.00 3.38 -1.17 -1.02 115.31 116.19 1yhq h LEU 17 Ca 0.14 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1yhq h LEU 17 Cb 0.55 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1yhq h LEU 17 CO -0.48 0.54 0.45 -0.33 0.09 0.00 0.00 178.44 178.71 1yhq h GLU 18 N 0.89 0.83 -0.32 1.13 5.08 -0.63 -0.20 114.58 121.36 1yhq h GLU 18 Ca 0.25 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1yhq h GLU 18 Cb -0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 1yhq h GLU 18 CO -0.07 0.55 0.09 0.00 -1.00 0.00 0.00 179.01 178.58 1yhq h ALA 19 N 1.35 1.57 -0.42 3.43 0.00 -0.19 -2.36 119.26 122.63 1yhq h ALA 19 Ca 0.32 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1yhq h ALA 19 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yhq h ALA 19 CO -0.15 0.33 -0.24 1.25 0.00 0.00 0.00 179.25 180.44 1yhq h LEU 20 N 0.45 0.95 -0.68 0.00 5.85 0.20 -2.29 115.31 119.79 1yhq h LEU 20 Ca 0.11 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1yhq h LEU 20 Cb 0.16 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1yhq h LEU 20 CO -0.01 1.15 0.38 -0.33 -0.34 0.00 0.00 178.44 179.29 1yhq h GLU 21 N 0.74 0.95 0.00 1.25 5.08 -0.74 -0.47 114.58 121.38 1yhq h GLU 21 Ca 0.09 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1yhq h GLU 21 Cb 0.81 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1yhq h GLU 21 CO 0.07 0.71 0.00 1.33 -1.00 0.00 0.00 179.01 180.12 1yhq n VAL 22 N -4.51 0.51 0.09 3.13 0.24 -1.00 -2.80 118.33 113.99 1yhq n VAL 22 Ca 0.05 0.12 -0.18 0.00 -2.04 0.00 0.00 64.34 62.29 1yhq n VAL 22 Cb 0.09 -0.75 -0.15 0.00 -1.47 0.00 0.00 33.84 31.56 1yhq n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yhq h ALA 23 N 2.74 0.12 -0.00 2.33 0.00 -0.50 -2.20 119.26 121.74 1yhq h ALA 23 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 54.91 53.75 1yhq h ALA 23 Cb 0.38 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1yhq h ALA 23 CO 0.00 0.99 -0.81 0.07 0.00 0.00 0.00 179.25 179.50 1yhq h ARG 24 N 0.09 0.08 0.00 0.00 0.11 -1.23 0.11 114.38 113.54 1yhq h ARG 24 Ca -0.22 -0.08 -0.17 0.00 0.10 0.00 0.00 59.98 59.61 1yhq h ARG 24 Cb 2.04 0.02 -0.03 0.00 1.11 0.00 0.00 29.97 33.11 1yhq h ARG 24 CO 0.20 0.84 -0.95 -0.44 0.10 0.00 0.00 179.97 179.72 1yhq h ASP 25 N 0.05 0.00 0.00 0.08 3.32 -1.62 -3.43 116.42 114.82 1yhq h ASP 25 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1yhq h ASP 25 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1yhq h ASP 25 CO 0.11 0.74 0.00 0.41 -1.72 0.00 0.00 179.24 178.78 1yhq n THR 26 N -3.20 0.00 0.00 0.35 -1.04 -0.83 -5.07 114.28 104.49 1yhq n THR 26 Ca -0.03 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1yhq n THR 26 Cb 0.86 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.12 1yhq n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yhq n GLY 27 N 2.12 0.91 3.02 3.41 0.00 0.01 -4.92 105.19 109.74 1yhq n GLY 27 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1yhq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq s ALA 28 N -3.77 0.60 0.02 4.61 0.00 -0.62 -4.64 121.76 117.96 1yhq s ALA 28 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1yhq s ALA 28 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1yhq s ALA 28 CO 0.00 0.08 -0.04 0.14 0.00 0.00 0.00 175.76 175.94 1yhq s VAL 29 N -0.66 0.25 -0.16 0.00 -7.23 -1.26 -0.50 120.40 110.84 1yhq s VAL 29 Ca -0.02 -0.82 -0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1yhq s VAL 29 Cb -0.06 -0.34 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 1yhq s VAL 29 CO 0.00 -0.37 -0.00 -0.54 -0.31 0.00 0.00 175.10 173.88 1yhq s LYS 30 N -1.25 3.69 -0.10 4.82 -0.14 0.20 -4.85 119.74 122.10 1yhq s LYS 30 Ca -0.11 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 1yhq s LYS 30 Cb -0.08 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1yhq s LYS 30 CO -0.00 0.30 -0.10 0.15 -0.76 0.00 0.00 175.35 174.94 1yhq s LYS 31 N 0.23 3.12 0.00 1.68 1.02 -1.26 -0.91 119.74 123.62 1yhq s LYS 31 Ca -0.00 -0.62 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1yhq s LYS 31 Cb -0.13 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1yhq s LYS 31 CO 0.02 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1yhq n GLY 32 N 2.97 2.59 0.18 -3.33 0.00 -0.78 -4.60 105.19 102.24 1yhq n GLY 32 Ca -0.18 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.21 1yhq n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yhq h THR 33 N 0.00 1.26 -0.03 2.61 2.02 -1.94 -1.52 112.91 115.32 1yhq h THR 33 Ca 0.00 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.79 1yhq h THR 33 Cb 0.00 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1yhq h THR 33 CO 0.00 0.37 -0.28 -1.13 0.37 0.00 0.00 175.52 174.85 1yhq h ASN 34 N 0.00 0.30 -0.06 4.18 -1.24 -1.93 -1.51 115.58 115.32 1yhq h ASN 34 Ca -0.00 -0.71 -0.07 0.00 0.71 0.00 0.00 56.30 56.22 1yhq h ASN 34 Cb 0.68 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1yhq h ASN 34 CO 0.05 0.96 -0.16 -0.33 -1.29 0.00 0.00 177.43 176.66 1yhq h GLU 35 N -0.34 0.41 -0.41 6.67 5.08 -1.80 -2.30 114.58 121.89 1yhq h GLU 35 Ca -0.03 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1yhq h GLU 35 Cb 0.98 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1yhq h GLU 35 CO 0.06 0.57 -0.26 1.15 -1.00 0.00 0.00 179.01 179.53 1yhq h THR 36 N 0.38 1.28 -0.71 1.13 2.02 -1.29 -2.81 112.91 112.90 1yhq h THR 36 Ca 0.07 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 1yhq h THR 36 Cb 0.51 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1yhq h THR 36 CO 0.03 0.47 0.33 0.74 0.37 0.00 0.00 175.52 177.46 1yhq h THR 37 N 0.71 1.23 0.00 3.16 2.02 -0.87 -2.32 112.91 116.84 1yhq h THR 37 Ca 0.08 -0.66 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 1yhq h THR 37 Cb 0.83 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1yhq h THR 37 CO 0.07 0.28 -0.49 0.11 0.37 0.00 0.00 175.52 175.86 1yhq h LYS 38 N 1.00 0.00 0.43 6.66 1.57 -1.35 -2.48 116.57 122.40 1yhq h LYS 38 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 1yhq h LYS 38 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1yhq h LYS 38 CO -0.03 0.49 -0.21 0.77 -0.57 0.00 0.00 179.45 179.90 1yhq h SER 39 N 0.00 -0.49 -0.96 0.86 0.02 -1.16 0.35 113.55 112.17 1yhq h SER 39 Ca -0.00 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1yhq h SER 39 Cb 0.91 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 1yhq h SER 39 CO 0.06 -0.31 0.61 0.40 -1.14 0.00 0.00 176.83 176.45 1yhq h ILE 40 N -0.63 0.89 0.01 3.27 2.04 -1.41 0.64 117.51 122.31 1yhq h ILE 40 Ca -0.06 -0.30 -0.21 0.00 1.00 0.00 0.00 64.86 65.29 1yhq h ILE 40 Cb 0.47 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1yhq h ILE 40 CO 0.10 0.16 -0.90 -0.33 0.00 0.00 0.00 178.15 177.17 1yhq h GLU 41 N 0.88 0.24 0.00 2.37 5.08 -1.08 -3.14 114.58 118.93 1yhq h GLU 41 Ca 0.48 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1yhq h GLU 41 Cb 0.57 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1yhq h GLU 41 CO -0.24 0.99 -0.37 0.54 -1.00 0.00 0.00 179.01 178.93 1yhq n ARG 42 N -3.67 0.28 -0.25 2.33 1.74 0.12 -4.94 116.66 112.27 1yhq n ARG 42 Ca -0.04 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1yhq n ARG 42 Cb 0.82 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 1yhq n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhq n GLY 43 N 1.33 1.57 0.46 -0.13 0.00 0.21 -4.91 105.19 103.72 1yhq n GLY 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1yhq n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yhq n SER 44 N 0.00 0.73 -4.68 1.61 3.41 -0.97 -4.79 113.62 108.93 1yhq n SER 44 Ca 0.00 -1.59 -0.35 0.00 -0.26 0.00 0.00 58.87 56.67 1yhq n SER 44 Cb 0.00 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.49 1yhq n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yhq s ALA 45 N -1.08 3.38 -0.13 7.33 0.00 -1.24 -4.18 121.76 125.83 1yhq s ALA 45 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1yhq s ALA 45 Cb 0.00 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.35 1yhq s ALA 45 CO 0.00 0.44 -0.10 0.39 0.00 0.00 0.00 175.76 176.49 1yhq n GLU 46 N 2.65 0.53 -3.68 0.00 1.02 -1.05 -4.84 120.64 115.27 1yhq n GLU 46 Ca -0.18 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 56.92 1yhq n GLU 46 Cb 0.53 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.57 1yhq n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1yhq s LEU 47 N -5.68 -0.24 -0.08 -4.62 2.96 -1.23 -4.07 118.68 105.72 1yhq s LEU 47 Ca -0.17 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1yhq s LEU 47 Cb 0.04 1.12 -0.02 0.00 0.50 0.00 0.00 46.19 47.83 1yhq s LEU 47 CO 0.32 -0.21 -0.13 0.68 -1.32 0.00 0.00 176.35 175.69 1yhq s VAL 48 N 1.99 3.14 -0.05 1.68 -7.23 -0.75 0.54 120.40 119.71 1yhq s VAL 48 Ca -0.05 -0.67 -0.02 0.00 -1.81 0.00 0.00 61.98 59.43 1yhq s VAL 48 Cb -0.11 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1yhq s VAL 48 CO -0.11 0.57 0.05 -0.36 -0.31 0.00 0.00 175.10 174.94 1yhq s PHE 49 N -0.39 3.26 -0.10 2.82 0.40 0.34 -1.43 117.98 122.89 1yhq s PHE 49 Ca 0.05 0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.60 1yhq s PHE 49 Cb -0.12 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.66 1yhq s PHE 49 CO 0.02 0.54 -0.00 0.08 0.70 0.00 0.00 175.22 176.55 1yhq s VAL 50 N -1.03 0.49 0.62 -0.44 1.01 -0.56 -1.46 120.40 119.03 1yhq s VAL 50 Ca 0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.95 1yhq s VAL 50 Cb -0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 1yhq s VAL 50 CO 0.07 0.21 1.14 0.00 0.00 0.00 0.00 175.10 176.52 1yhq s ALA 51 N 1.92 2.51 -1.11 5.51 0.00 -0.44 -1.26 121.76 128.89 1yhq s ALA 51 Ca 0.04 0.74 0.20 0.00 0.00 0.00 0.00 51.96 52.94 1yhq s ALA 51 Cb -0.13 -3.37 -0.19 0.00 0.00 0.00 0.00 23.12 19.44 1yhq s ALA 51 CO -0.06 -1.18 0.89 0.39 0.00 0.00 0.00 175.76 175.80 1yhq n GLU 52 N -1.99 0.49 -1.32 0.00 1.02 0.27 -4.40 120.64 114.70 1yhq n GLU 52 Ca 0.12 -0.15 -0.27 0.00 -0.02 0.00 0.00 57.16 56.83 1yhq n GLU 52 Cb 0.51 -1.45 0.12 0.00 -0.02 0.00 0.00 31.44 30.60 1yhq n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1yhq n ASP 53 N -1.25 5.64 -4.72 1.62 5.75 -1.23 -4.45 116.55 117.92 1yhq n ASP 53 Ca 0.05 -3.73 -0.41 0.00 -0.01 0.00 0.00 54.79 50.68 1yhq n ASP 53 Cb 0.34 -0.83 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 1yhq n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1yhq s VAL 54 N -4.17 4.91 -0.09 2.12 1.01 -1.26 -4.86 120.40 118.05 1yhq s VAL 54 Ca 0.59 1.73 -0.03 0.00 0.00 0.00 0.00 61.98 64.27 1yhq s VAL 54 Cb 0.48 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.74 1yhq s VAL 54 CO 0.03 0.24 0.16 -1.58 0.00 0.00 0.00 175.10 173.95 1yhq s GLN 55 N 0.72 0.04 0.63 2.72 -0.44 -1.26 -3.67 119.66 118.40 1yhq s GLN 55 Ca 0.44 0.51 -0.16 0.00 -2.50 0.00 0.00 55.36 53.65 1yhq s GLN 55 Cb -0.20 -0.39 -0.01 0.00 -1.64 0.00 0.00 33.01 30.77 1yhq s GLN 55 CO 0.23 -0.34 1.10 -1.25 0.50 0.00 0.00 175.29 175.53 1yhq s PRO 56 N 2.29 2.97 0.47 1.67 0.04 -1.26 -5.08 135.00 136.10 1yhq s PRO 56 Ca 0.03 1.39 0.31 0.00 0.04 0.00 0.00 61.00 62.77 1yhq s PRO 56 Cb -0.12 -1.97 1.31 0.00 0.04 0.00 0.00 34.50 33.75 1yhq s PRO 56 CO -0.06 -1.12 1.92 0.93 0.04 0.00 0.00 177.00 178.71 1yhq h GLU 57 N 0.26 0.00 -0.85 4.56 5.08 -2.00 -3.16 114.58 118.47 1yhq h GLU 57 Ca -0.47 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.03 1yhq h GLU 57 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1yhq h GLU 57 CO 0.55 0.00 0.55 0.93 -1.00 0.00 0.00 179.01 180.05 1yhq h GLU 58 N 0.00 0.58 -0.51 2.33 3.07 -1.98 -0.52 114.58 117.56 1yhq h GLU 58 Ca 0.00 -0.04 0.15 0.00 -0.50 0.00 0.00 59.36 58.97 1yhq h GLU 58 Cb 0.44 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1yhq h GLU 58 CO 0.00 0.39 0.39 0.82 -1.40 0.00 0.00 179.01 179.21 1yhq h ILE 59 N 0.60 0.65 0.00 3.13 2.04 -1.95 -3.21 117.51 118.78 1yhq h ILE 59 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.29 1yhq h ILE 59 Cb 0.77 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1yhq h ILE 59 CO -0.18 0.00 -0.73 0.52 0.00 0.00 0.00 178.15 177.76 1yhq n VAL 60 N -4.24 0.00 -0.21 1.67 0.31 -0.72 -4.81 118.33 110.33 1yhq n VAL 60 Ca 0.09 -0.07 0.20 0.00 -0.01 0.00 0.00 64.34 64.55 1yhq n VAL 60 Cb 0.61 0.54 0.37 0.00 -0.91 0.00 0.00 33.84 34.44 1yhq n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1yhq n MET 61 N -1.25 -0.04 0.14 5.55 2.81 -0.28 -0.42 117.12 123.62 1yhq n MET 61 Ca 0.00 0.90 -0.01 0.00 -1.81 0.00 0.00 57.70 56.78 1yhq n MET 61 Cb 0.00 -1.60 0.17 0.00 -0.71 0.00 0.00 33.22 31.07 1yhq n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1yhq h HIS 62 N 0.00 0.00 -0.56 2.03 2.07 -1.87 -3.37 115.15 113.44 1yhq h HIS 62 Ca 0.54 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 58.11 1yhq h HIS 62 Cb 1.40 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.30 1yhq h HIS 62 CO -0.04 0.62 -0.48 0.82 -3.07 0.00 0.00 177.93 175.79 1yhq h ILE 63 N 0.00 0.00 -0.18 6.12 1.08 -1.10 -1.66 117.51 121.76 1yhq h ILE 63 Ca -0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1yhq h ILE 63 Cb 1.11 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 1yhq h ILE 63 CO 0.08 0.00 -0.17 -0.65 -0.69 0.00 0.00 178.15 176.72 1yhq h PRO 64 N -0.19 -0.07 -0.47 2.37 0.11 -1.77 0.10 132.00 132.08 1yhq h PRO 64 Ca 0.09 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.24 1yhq h PRO 64 Cb 0.43 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 1yhq h PRO 64 CO -0.62 -0.05 0.31 1.49 -0.21 0.00 0.00 178.00 178.92 1yhq h GLU 65 N -0.08 0.52 -0.25 1.05 4.81 -1.80 -1.53 114.58 117.30 1yhq h GLU 65 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1yhq h GLU 65 Cb 0.16 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1yhq h GLU 65 CO -0.21 0.34 0.09 1.25 -0.73 0.00 0.00 179.01 179.75 1yhq h LEU 66 N 0.53 0.35 -0.35 1.64 5.85 -0.48 -2.66 115.31 120.19 1yhq h LEU 66 Ca 0.19 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1yhq h LEU 66 Cb 0.08 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1yhq h LEU 66 CO -0.05 0.43 0.23 0.00 -0.34 0.00 0.00 178.44 178.71 1yhq h ALA 67 N 0.93 0.44 -0.68 1.25 0.00 -0.16 -2.89 119.26 118.16 1yhq h ALA 67 Ca 0.08 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1yhq h ALA 67 Cb 0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1yhq h ALA 67 CO -0.01 -0.11 0.26 -0.44 0.00 0.00 0.00 179.25 178.96 1yhq h ASP 68 N 0.46 0.24 -0.30 0.00 3.32 -1.14 0.18 116.42 119.18 1yhq h ASP 68 Ca 0.13 0.09 -0.17 0.00 0.02 0.00 0.00 57.03 57.11 1yhq h ASP 68 Cb -0.04 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.49 1yhq h ASP 68 CO -0.04 0.12 0.22 -1.84 -1.72 0.00 0.00 179.24 175.98 1yhq n GLU 69 N -5.00 1.41 -0.06 3.56 0.28 -1.02 -3.04 120.64 116.78 1yhq n GLU 69 Ca 0.11 -0.93 0.00 0.00 -0.16 0.00 0.00 57.16 56.18 1yhq n GLU 69 Cb 0.34 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1yhq n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1yhq n LYS 70 N 0.18 0.00 0.00 3.44 4.76 0.55 -5.01 118.16 122.08 1yhq n LYS 70 Ca 0.18 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1yhq n LYS 70 Cb 0.79 -0.19 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1yhq n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yhq n GLY 71 N 0.00 0.33 3.68 0.72 0.00 -0.62 -4.90 105.19 104.39 1yhq n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1yhq n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yhq n VAL 72 N -1.38 0.56 -2.65 1.61 0.31 -1.13 -4.97 118.33 110.69 1yhq n VAL 72 Ca 0.00 -0.10 -0.35 0.00 -0.01 0.00 0.00 64.34 63.88 1yhq n VAL 72 Cb 0.00 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 30.66 1yhq n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1yhq s PRO 73 N 3.56 4.15 0.02 5.55 0.02 -1.26 -4.43 135.00 142.61 1yhq s PRO 73 Ca 0.85 1.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.22 1yhq s PRO 73 Cb -0.46 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 31.66 1yhq s PRO 73 CO 0.40 -0.13 -0.02 -0.59 -0.33 0.00 0.00 177.00 176.33 1yhq s PHE 74 N -1.86 0.28 0.03 6.54 -0.12 -1.26 -1.81 117.98 119.77 1yhq s PHE 74 Ca 0.60 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.93 1yhq s PHE 74 Cb -0.17 -0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 1yhq s PHE 74 CO 0.21 -0.22 -0.08 -1.50 -0.05 0.00 0.00 175.22 173.58 1yhq s ILE 75 N -1.79 0.55 0.08 -4.49 2.07 -0.51 -4.96 121.20 112.14 1yhq s ILE 75 Ca -0.13 -0.89 -0.12 0.00 -1.41 0.00 0.00 60.65 58.10 1yhq s ILE 75 Cb -0.07 -0.58 -0.06 0.00 0.13 0.00 0.00 42.46 41.88 1yhq s ILE 75 CO -0.02 -0.25 0.44 -0.36 -1.91 0.00 0.00 174.94 172.84 1yhq s PHE 76 N -1.08 3.62 -0.06 3.50 0.40 -1.26 -1.49 117.98 121.61 1yhq s PHE 76 Ca -0.07 0.91 0.05 0.00 -0.60 0.00 0.00 56.93 57.22 1yhq s PHE 76 Cb -0.08 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.19 1yhq s PHE 76 CO 0.00 0.52 -0.20 0.08 0.70 0.00 0.00 175.22 176.32 1yhq s VAL 77 N -1.35 2.50 0.10 -0.44 1.01 -0.38 -4.87 120.40 116.97 1yhq s VAL 77 Ca 0.32 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1yhq s VAL 77 Cb -0.15 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.22 1yhq s VAL 77 CO 0.17 0.57 1.60 -0.33 0.00 0.00 0.00 175.10 177.11 1yhq h GLU 78 N 5.84 0.42 -5.98 2.72 4.39 -1.95 0.78 114.58 120.81 1yhq h GLU 78 Ca -0.37 -0.10 -0.68 0.00 0.34 0.00 0.00 59.36 58.55 1yhq h GLU 78 Cb 1.17 -0.06 -0.24 0.00 -0.10 0.00 0.00 28.75 29.52 1yhq h GLU 78 CO 0.49 0.51 -0.76 -0.65 -1.16 0.00 0.00 179.01 177.44 1yhq s GLN 79 N -5.32 2.82 0.23 2.33 -0.21 -1.26 -3.53 119.66 114.73 1yhq s GLN 79 Ca -0.14 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 54.50 1yhq s GLN 79 Cb 0.08 -2.49 0.24 0.00 1.00 0.00 0.00 33.01 31.84 1yhq s GLN 79 CO 0.73 0.49 1.90 0.37 -2.12 0.00 0.00 175.29 176.67 1yhq h GLN 80 N 5.78 1.14 0.00 2.91 4.15 -1.85 -2.74 115.11 124.50 1yhq h GLN 80 Ca -0.40 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1yhq h GLN 80 Cb 1.17 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.61 1yhq h GLN 80 CO 0.52 0.75 0.00 -0.44 -1.93 0.00 0.00 178.83 177.73 1yhq h ASP 81 N 1.17 0.00 0.09 -0.69 3.32 -1.91 -1.82 116.42 116.58 1yhq h ASP 81 Ca 0.34 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.10 1yhq h ASP 81 Cb -0.08 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.49 1yhq h ASP 81 CO -0.09 0.00 -1.16 0.44 -1.72 0.00 0.00 179.24 176.71 1yhq h ASP 82 N 0.00 0.88 -0.59 6.45 3.32 -1.87 -2.24 116.42 122.38 1yhq h ASP 82 Ca 0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 57.03 56.22 1yhq h ASP 82 Cb 0.75 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1yhq h ASP 82 CO 0.00 1.57 0.13 0.25 -1.72 0.00 0.00 179.24 179.46 1yhq h LEU 83 N 0.32 0.91 -1.04 1.55 5.85 -1.51 -1.14 115.31 120.25 1yhq h LEU 83 Ca -0.16 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.23 1yhq h LEU 83 Cb 1.82 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 1yhq h LEU 83 CO 0.22 0.92 -0.26 1.23 -0.34 0.00 0.00 178.44 180.21 1yhq h GLY 84 N 0.86 0.40 0.90 3.75 0.00 -1.52 -0.73 103.07 106.72 1yhq h GLY 84 Ca 0.18 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1yhq h GLY 84 CO 0.01 0.29 -0.27 0.84 0.00 0.00 0.00 176.54 177.41 1yhq h HIS 85 N 0.33 0.71 -0.85 5.60 -0.00 -1.06 0.64 115.15 120.52 1yhq h HIS 85 Ca 0.05 -0.22 -0.03 0.00 -0.00 0.00 0.00 60.37 60.16 1yhq h HIS 85 Cb 0.63 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.86 1yhq h HIS 85 CO 0.02 0.94 0.40 0.00 -0.00 0.00 0.00 177.93 179.28 1yhq h ALA 86 N 0.65 1.10 0.00 5.26 0.00 -1.05 0.44 119.26 125.66 1yhq h ALA 86 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yhq h ALA 86 Cb 0.84 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1yhq h ALA 86 CO 0.06 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1yhq n ALA 87 N -2.42 1.54 -0.37 0.00 0.00 -0.29 -4.14 120.51 114.83 1yhq n ALA 87 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1yhq n ALA 87 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1yhq n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 88 N -0.27 0.90 3.89 0.00 0.00 0.14 -4.98 105.19 104.87 1yhq n GLY 88 Ca 0.03 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1yhq n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yhq s LEU 89 N 0.00 4.14 0.19 0.99 1.43 0.22 -4.99 118.68 120.66 1yhq s LEU 89 Ca 0.00 0.07 0.25 0.00 -1.03 0.00 0.00 54.13 53.42 1yhq s LEU 89 Cb 0.00 -2.73 0.59 0.00 0.03 0.00 0.00 46.19 44.07 1yhq s LEU 89 CO 0.00 0.07 1.58 -0.08 0.23 0.00 0.00 176.35 178.14 1yhq h GLU 90 N 2.30 0.00 -5.74 1.70 4.81 -1.94 -3.34 114.58 112.37 1yhq h GLU 90 Ca -0.48 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.14 1yhq h GLU 90 Cb 1.19 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1yhq h GLU 90 CO 0.67 0.00 -0.33 0.08 -0.73 0.00 0.00 179.01 178.70 1yhq s VAL 91 N -3.14 1.42 0.76 0.32 1.01 -1.26 -5.02 120.40 114.49 1yhq s VAL 91 Ca 0.08 -1.60 -0.06 0.00 0.00 0.00 0.00 61.98 60.40 1yhq s VAL 91 Cb 0.12 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.59 1yhq s VAL 91 CO 0.65 0.00 1.06 -0.83 0.00 0.00 0.00 175.10 175.98 1yhq s GLY 92 N -4.23 1.74 -0.13 4.51 0.00 -1.26 -4.18 107.32 103.77 1yhq s GLY 92 Ca 0.26 -1.27 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 1yhq s GLY 92 CO 0.16 -0.74 0.27 -0.45 0.00 0.00 0.00 173.10 172.35 1yhq s SER 93 N -4.66 0.10 0.44 1.64 0.15 -0.71 -4.74 113.70 105.91 1yhq s SER 93 Ca 0.65 0.61 0.24 0.00 0.70 0.00 0.00 55.95 58.14 1yhq s SER 93 Cb -0.07 0.64 0.90 0.00 -1.71 0.00 0.00 66.02 65.78 1yhq s SER 93 CO 0.46 -0.21 1.82 0.00 1.20 0.00 0.00 173.24 176.50 1yhq h ALA 94 N 7.90 1.02 -1.89 5.45 0.00 -1.95 -3.40 119.26 126.40 1yhq h ALA 94 Ca -0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1yhq h ALA 94 Cb 1.13 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.68 1yhq h ALA 94 CO 0.21 0.29 0.27 0.00 0.00 0.00 0.00 179.25 180.03 1yhq s ALA 95 N -3.65 -1.82 0.05 0.00 0.00 -1.26 -1.33 121.76 113.75 1yhq s ALA 95 Ca 0.01 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.46 1yhq s ALA 95 Cb 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1yhq s ALA 95 CO 0.64 -0.34 0.05 0.00 0.00 0.00 0.00 175.76 176.11 1yhq s ALA 96 N -0.82 0.13 -0.03 0.00 0.00 -0.54 -1.86 121.76 118.64 1yhq s ALA 96 Ca -0.06 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1yhq s ALA 96 Cb -0.01 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.41 1yhq s ALA 96 CO 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 175.76 175.47 1yhq s ALA 97 N -3.09 0.35 -0.72 0.00 0.00 -0.09 0.13 121.76 118.34 1yhq s ALA 97 Ca -0.01 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 1yhq s ALA 97 Cb 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1yhq s ALA 97 CO -0.07 -0.06 1.23 0.08 0.00 0.00 0.00 175.76 176.94 1yhq s VAL 98 N 0.98 3.82 -0.85 0.00 1.01 0.19 0.58 120.40 126.13 1yhq s VAL 98 Ca -0.10 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.98 1yhq s VAL 98 Cb -0.14 -4.88 0.09 0.00 0.00 0.00 0.00 36.38 31.46 1yhq s VAL 98 CO -0.01 -1.78 1.15 0.28 0.00 0.00 0.00 175.10 174.74 1yhq s THR 99 N 5.45 4.37 -0.14 3.92 -1.32 0.34 -2.53 115.64 125.74 1yhq s THR 99 Ca 0.33 -0.91 -0.10 0.00 -1.21 0.00 0.00 61.69 59.81 1yhq s THR 99 Cb -0.09 -4.82 0.04 0.00 -1.51 0.00 0.00 72.50 66.12 1yhq s THR 99 CO 0.15 -1.60 0.19 0.47 -2.21 0.00 0.00 174.62 171.62 1yhq n ASP 100 N 7.56 -1.19 0.00 8.08 9.92 -1.26 -3.32 116.55 136.34 1yhq n ASP 100 Ca 0.16 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.57 1yhq n ASP 100 Cb 0.48 -4.54 0.00 0.00 -0.64 0.00 0.00 41.12 36.42 1yhq n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yhq n ALA 101 N 1.43 0.00 0.00 2.24 0.00 -1.26 -1.58 120.51 121.33 1yhq n ALA 101 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1yhq n ALA 101 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1yhq n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 102 N 0.66 1.60 2.71 0.00 0.00 -1.26 -3.34 105.19 105.56 1yhq n GLY 102 Ca 0.00 0.39 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 1yhq n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yhq n GLU 103 N 0.00 -3.09 0.00 1.61 1.02 -1.26 -4.37 120.64 114.55 1yhq n GLU 103 Ca 0.00 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1yhq n GLU 103 Cb 0.00 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 25.80 1yhq n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yhq n ALA 104 N -2.73 0.00 0.05 0.62 0.00 -1.26 -4.89 120.51 112.29 1yhq n ALA 104 Ca -0.17 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.46 1yhq n ALA 104 Cb 0.64 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.79 1yhq n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yhq h ASP 105 N 0.00 0.00 0.34 0.00 3.32 -1.92 0.45 116.42 118.60 1yhq h ASP 105 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1yhq h ASP 105 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1yhq h ASP 105 CO 0.00 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 177.36 1yhq h ALA 106 N 1.75 -0.45 -0.04 3.45 0.00 -1.98 -2.12 119.26 119.87 1yhq h ALA 106 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yhq h ALA 106 Cb 0.88 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yhq h ALA 106 CO -0.00 -0.57 0.01 -0.44 0.00 0.00 0.00 179.25 178.25 1yhq h ASP 107 N -0.81 0.05 -0.37 0.00 3.32 -1.60 -2.69 116.42 114.32 1yhq h ASP 107 Ca -0.05 -0.17 0.08 0.00 0.02 0.00 0.00 57.03 56.91 1yhq h ASP 107 Cb 0.52 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.98 1yhq h ASP 107 CO 0.08 0.21 -0.19 0.58 -1.72 0.00 0.00 179.24 178.20 1yhq h VAL 108 N -0.11 0.45 -0.89 -1.35 2.07 -0.25 0.72 116.25 116.88 1yhq h VAL 108 Ca 0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.69 1yhq h VAL 108 Cb 0.18 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.29 1yhq h VAL 108 CO -0.00 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 177.99 1yhq h GLU 109 N -0.12 0.64 0.02 1.57 4.81 -1.27 0.18 114.58 120.41 1yhq h GLU 109 Ca 0.19 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1yhq h GLU 109 Cb 0.41 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1yhq h GLU 109 CO -0.45 0.42 -0.01 -0.44 -0.73 0.00 0.00 179.01 177.80 1yhq h ASP 110 N 0.66 -0.03 -0.71 1.04 3.32 -0.65 -1.72 116.42 118.33 1yhq h ASP 110 Ca 0.50 -0.29 0.14 0.00 0.02 0.00 0.00 57.03 57.40 1yhq h ASP 110 Cb 0.72 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.19 1yhq h ASP 110 CO -0.37 0.27 0.23 0.40 -1.72 0.00 0.00 179.24 178.05 1yhq h ILE 111 N -0.33 0.63 -0.28 0.35 2.04 0.07 1.37 117.51 121.36 1yhq h ILE 111 Ca -0.00 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.76 1yhq h ILE 111 Cb 0.31 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1yhq h ILE 111 CO 0.01 0.07 0.11 0.00 0.00 0.00 0.00 178.15 178.33 1yhq h ALA 112 N 1.54 0.33 -0.32 1.87 0.00 -0.85 -0.77 119.26 121.06 1yhq h ALA 112 Ca 0.38 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 1yhq h ALA 112 Cb 0.59 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1yhq h ALA 112 CO -0.42 -0.29 -0.13 -0.44 0.00 0.00 0.00 179.25 177.97 1yhq h ASP 113 N 0.25 0.54 0.61 0.00 3.32 0.30 -1.29 116.42 120.15 1yhq h ASP 113 Ca 0.12 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1yhq h ASP 113 Cb 0.07 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1yhq h ASP 113 CO -0.11 0.70 -0.29 0.11 -1.72 0.00 0.00 179.24 177.93 1yhq h LYS 114 N 0.51 0.00 0.00 3.56 1.57 0.23 -2.86 116.57 119.58 1yhq h LYS 114 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1yhq h LYS 114 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1yhq h LYS 114 CO 0.03 0.29 -0.33 0.28 -0.57 0.00 0.00 179.45 179.16 1yhq h VAL 115 N 0.00 1.52 -1.02 0.50 2.07 -0.69 -2.66 116.25 115.98 1yhq h VAL 115 Ca -0.00 -2.26 0.25 0.00 0.82 0.00 0.00 66.70 65.50 1yhq h VAL 115 Cb 0.68 2.99 -0.11 0.00 -1.52 0.00 0.00 31.29 33.33 1yhq h VAL 115 CO 0.04 0.51 0.62 -0.33 0.02 0.00 0.00 177.57 178.44 1yhq h GLU 116 N -1.00 0.52 -0.33 1.57 4.39 -1.27 0.63 114.58 119.09 1yhq h GLU 116 Ca -0.09 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1yhq h GLU 116 Cb 1.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1yhq h GLU 116 CO -0.05 0.34 -0.28 0.93 -1.16 0.00 0.00 179.01 178.79 1yhq h GLU 117 N 0.53 0.77 0.00 2.33 5.08 -1.60 -1.70 114.58 119.99 1yhq h GLU 117 Ca 0.62 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1yhq h GLU 117 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1yhq h GLU 117 CO -0.41 1.02 0.00 -0.11 -1.00 0.00 0.00 179.01 178.51 1yhq n LEU 118 N -4.23 0.00 0.00 1.33 7.94 0.20 -5.12 117.00 117.12 1yhq n LEU 118 Ca -0.03 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1yhq n LEU 118 Cb 0.47 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1yhq n LEU 118 CO 0.45 -0.01 0.00 -1.14 -1.11 0.00 0.00 177.39 175.58