#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq n SER 2 N 0.00 0.62 -3.95 2.55 3.41 -1.26 -4.91 113.62 110.08 1yhq n SER 2 Ca 0.00 -0.13 -0.09 0.00 -0.26 0.00 0.00 58.87 58.39 1yhq n SER 2 Cb 0.00 0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 64.31 1yhq n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1yhq s SER 3 N -3.75 0.16 -0.15 4.04 1.04 -1.26 -5.09 113.70 108.70 1yhq s SER 3 Ca 0.07 -0.83 0.15 0.00 0.48 0.00 0.00 55.95 55.81 1yhq s SER 3 Cb 0.15 0.35 0.39 0.00 0.10 0.00 0.00 66.02 67.01 1yhq s SER 3 CO 0.75 -0.77 1.19 -3.20 0.98 0.00 0.00 173.24 172.19 1yhq n ASN 4 N -0.10 1.56 -4.70 7.02 5.15 -1.26 -4.92 115.26 118.00 1yhq n ASN 4 Ca -0.11 -3.33 -0.29 0.00 -0.60 0.00 0.00 54.58 50.25 1yhq n ASN 4 Cb 0.63 -0.46 0.16 0.00 -0.53 0.00 0.00 39.78 39.58 1yhq n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1yhq s GLY 5 N -2.85 1.58 0.51 8.20 0.00 -1.26 -4.94 107.32 108.55 1yhq s GLY 5 Ca 0.35 -0.35 0.17 0.00 0.00 0.00 0.00 44.72 44.89 1yhq s GLY 5 CO -0.08 0.23 2.11 -2.55 0.00 0.00 0.00 173.10 172.82 1yhq h PRO 6 N -1.76 0.00 -0.65 2.90 0.11 -2.05 -2.78 132.00 127.77 1yhq h PRO 6 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1yhq h PRO 6 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1yhq h PRO 6 CO 0.58 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 179.70 1yhq n LEU 7 N -4.43 4.31 -4.74 2.35 4.77 -1.26 -4.61 117.00 113.40 1yhq n LEU 7 Ca -0.03 -2.17 -0.42 0.00 -0.03 0.00 0.00 56.01 53.36 1yhq n LEU 7 Cb 0.13 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1yhq n LEU 7 CO 0.34 0.76 1.15 -0.70 -1.33 0.00 0.00 177.39 177.61 1yhq s GLU 8 N -1.76 4.24 -1.79 3.23 -6.30 -1.05 -2.45 118.70 112.83 1yhq s GLU 8 Ca 0.47 2.33 0.00 0.00 -2.50 0.00 0.00 54.97 55.26 1yhq s GLU 8 Cb 0.29 -3.12 0.00 0.00 0.00 0.00 0.00 34.13 31.30 1yhq s GLU 8 CO 0.23 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1yhq n GLY 9 N 2.73 0.72 1.30 -1.50 0.00 -1.26 -4.88 105.19 102.30 1yhq n GLY 9 Ca 0.09 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1yhq n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yhq n THR 10 N -3.23 1.89 0.04 2.61 -2.24 -1.03 -4.68 114.28 107.64 1yhq n THR 10 Ca -0.20 -1.34 -0.15 0.00 -2.27 0.00 0.00 64.05 60.09 1yhq n THR 10 Cb 0.64 0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 1yhq n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1yhq h ARG 11 N 3.21 -0.59 0.79 -0.78 2.43 -1.90 -1.95 114.38 115.59 1yhq h ARG 11 Ca 0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1yhq h ARG 11 Cb 1.38 0.14 0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1yhq h ARG 11 CO 0.22 -0.40 -0.38 0.78 -1.51 0.00 0.00 179.97 178.68 1yhq h GLY 12 N -0.62 -1.11 1.70 2.80 0.00 -1.94 -3.22 103.07 100.67 1yhq h GLY 12 Ca 0.03 0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.80 1yhq h GLY 12 CO -0.37 -0.40 0.12 0.07 0.00 0.00 0.00 176.54 175.96 1yhq h LYS 13 N -1.24 0.00 -0.43 4.80 2.10 -1.88 -2.32 116.57 117.60 1yhq h LYS 13 Ca -0.11 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1yhq h LYS 13 Cb 0.82 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.14 1yhq h LYS 13 CO 0.18 0.00 0.02 1.28 -2.00 0.00 0.00 179.45 178.93 1yhq n LEU 14 N -3.71 4.84 -4.29 7.07 4.77 -0.74 -4.88 117.00 120.07 1yhq n LEU 14 Ca -0.01 -3.02 -0.31 0.00 -0.03 0.00 0.00 56.01 52.64 1yhq n LEU 14 Cb 0.22 -0.62 -0.16 0.00 -2.33 0.00 0.00 43.42 40.53 1yhq n LEU 14 CO 0.26 0.68 -0.57 -0.75 -1.33 0.00 0.00 177.39 175.69 1yhq s LYS 15 N -2.84 2.37 0.38 3.23 2.20 -0.88 -4.67 119.74 119.55 1yhq s LYS 15 Ca 0.49 -0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 54.97 1yhq s LYS 15 Cb 0.38 -2.11 -0.10 0.00 -1.51 0.00 0.00 37.83 34.48 1yhq s LYS 15 CO 0.12 0.46 0.91 -0.80 -0.36 0.00 0.00 175.35 175.68 1yhq s ASN 16 N -0.35 7.02 0.35 1.43 0.02 -1.26 -4.95 114.94 117.19 1yhq s ASN 16 Ca 0.02 1.66 -0.27 0.00 -1.02 0.00 0.00 52.86 53.25 1yhq s ASN 16 Cb -0.12 -2.52 -0.09 0.00 0.02 0.00 0.00 41.25 38.53 1yhq s ASN 16 CO 0.02 -0.26 1.18 -0.54 0.02 0.00 0.00 177.10 177.52 1yhq s LYS 17 N -2.84 4.31 0.34 -0.60 3.01 -1.26 -4.88 119.74 117.81 1yhq s LYS 17 Ca 0.58 1.91 0.17 0.00 -1.01 0.00 0.00 55.97 57.61 1yhq s LYS 17 Cb -0.12 -2.92 1.17 0.00 -1.01 0.00 0.00 37.83 34.96 1yhq s LYS 17 CO 0.16 -0.12 1.49 -2.30 0.51 0.00 0.00 175.35 175.09 1yhq n PRO 18 N 0.58 -0.06 0.23 -1.68 -0.02 -1.26 -0.73 135.00 132.06 1yhq n PRO 18 Ca 0.02 1.32 0.12 0.00 -2.02 0.00 0.00 63.50 62.94 1yhq n PRO 18 Cb 0.45 -2.33 0.40 0.00 -0.02 0.00 0.00 33.50 32.00 1yhq n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yhq h ARG 19 N 0.00 0.00 -0.53 -0.52 3.08 -2.05 -2.76 114.38 111.61 1yhq h ARG 19 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.81 1yhq h ARG 19 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.00 1yhq h ARG 19 CO -0.76 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 178.01 1yhq n ASP 20 N -3.19 2.84 -4.77 7.04 8.00 0.09 -4.94 116.55 121.63 1yhq n ASP 20 Ca 0.02 -2.02 -0.33 0.00 0.71 0.00 0.00 54.79 53.17 1yhq n ASP 20 Cb 0.45 -0.36 0.06 0.00 -0.02 0.00 0.00 41.12 41.25 1yhq n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1yhq s ARG 21 N -1.32 2.67 0.00 -1.24 3.52 -1.04 -4.86 118.95 116.67 1yhq s ARG 21 Ca 0.35 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1yhq s ARG 21 Cb 0.19 -1.94 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 1yhq s ARG 21 CO 0.24 -1.35 0.00 0.41 -0.81 0.00 0.00 175.30 173.79 1yhq n GLY 22 N -0.59 0.40 3.51 8.12 0.00 -1.26 -4.96 105.19 110.41 1yhq n GLY 22 Ca 0.10 -1.78 -0.50 0.00 0.00 0.00 0.00 46.02 43.84 1yhq n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yhq n THR 23 N 0.53 1.13 -2.87 2.61 -1.04 -1.26 -4.84 114.28 108.53 1yhq n THR 23 Ca 0.00 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.05 61.43 1yhq n THR 23 Cb 0.00 -0.44 -0.02 0.00 -1.82 0.00 0.00 70.33 68.04 1yhq n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1yhq s SER 24 N -0.34 6.45 0.32 8.00 0.01 -1.26 -5.03 113.70 121.85 1yhq s SER 24 Ca 0.73 1.03 -0.29 0.00 1.31 0.00 0.00 55.95 58.73 1yhq s SER 24 Cb -0.95 -2.28 -0.11 0.00 0.21 0.00 0.00 66.02 62.89 1yhq s SER 24 CO 0.55 -0.41 1.54 -2.84 0.41 0.00 0.00 173.24 172.49 1yhq s PRO 25 N -4.01 4.14 0.44 12.44 0.02 -1.26 -4.91 135.00 141.85 1yhq s PRO 25 Ca 0.49 2.54 0.20 0.00 0.02 0.00 0.00 61.00 64.25 1yhq s PRO 25 Cb -0.10 -3.01 1.02 0.00 0.02 0.00 0.00 34.50 32.43 1yhq s PRO 25 CO 0.34 -0.57 1.92 -1.35 -0.33 0.00 0.00 177.00 177.01 1yhq h PRO 26 N 4.24 0.00 -0.74 5.54 0.11 -2.00 -3.32 132.00 135.82 1yhq h PRO 26 Ca -0.48 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1yhq h PRO 26 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1yhq h PRO 26 CO 0.74 0.25 -0.39 0.37 -0.21 0.00 0.00 178.00 178.76 1yhq h GLN 27 N 0.00 -0.11 0.00 1.05 5.75 -1.99 0.23 115.11 120.04 1yhq h GLN 27 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1yhq h GLN 27 Cb 0.54 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1yhq h GLN 27 CO 0.03 -0.08 0.00 2.89 -2.65 0.00 0.00 178.83 179.03 1yhq n ARG 28 N -5.43 0.12 0.02 1.69 1.85 -1.25 -2.35 116.66 111.32 1yhq n ARG 28 Ca 0.05 0.24 0.13 0.00 -1.00 0.00 0.00 57.85 57.27 1yhq n ARG 28 Cb 0.36 -1.69 0.42 0.00 -1.05 0.00 0.00 32.46 30.51 1yhq n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yhq n ALA 29 N -1.65 2.75 0.29 2.89 0.00 0.04 -3.41 120.51 121.41 1yhq n ALA 29 Ca 0.04 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1yhq n ALA 29 Cb 0.29 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.42 1yhq n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yhq n VAL 30 N -1.70 0.00 -1.39 0.00 0.31 -0.99 -4.32 118.33 110.24 1yhq n VAL 30 Ca 0.06 -0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 63.56 1yhq n VAL 30 Cb 0.37 1.10 0.05 0.00 -0.91 0.00 0.00 33.84 34.44 1yhq n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1yhq n GLU 31 N -0.12 0.43 -5.10 5.55 4.07 -1.04 -4.99 120.64 119.45 1yhq n GLU 31 Ca 0.03 0.18 -0.32 0.00 -0.06 0.00 0.00 57.16 56.99 1yhq n GLU 31 Cb 0.15 -1.74 -0.16 0.00 -0.06 0.00 0.00 31.44 29.63 1yhq n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1yhq s GLU 32 N -2.32 3.05 0.14 5.31 0.41 -1.26 -4.84 118.70 119.19 1yhq s GLU 32 Ca 0.67 -0.82 0.10 0.00 -0.41 0.00 0.00 54.97 54.51 1yhq s GLU 32 Cb -0.41 -2.37 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 1yhq s GLU 32 CO 0.56 0.23 -0.19 -0.06 -0.49 0.00 0.00 175.26 175.31 1yhq s PHE 33 N 0.24 2.47 0.13 1.61 0.40 -1.26 -5.14 117.98 116.43 1yhq s PHE 33 Ca -0.14 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1yhq s PHE 33 Cb -0.17 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1yhq s PHE 33 CO 0.07 0.42 0.20 -0.51 0.70 0.00 0.00 175.22 176.10 1yhq s ASP 34 N -2.34 5.96 0.28 1.36 1.01 -1.26 -5.04 116.67 116.65 1yhq s ASP 34 Ca 0.19 0.06 -0.30 0.00 0.71 0.00 0.00 52.55 53.22 1yhq s ASP 34 Cb -0.10 -1.71 -0.13 0.00 1.01 0.00 0.00 42.92 42.00 1yhq s ASP 34 CO 0.10 0.09 1.33 0.47 0.21 0.00 0.00 175.17 177.38 1yhq n ASP 35 N -0.21 2.66 0.00 0.27 8.00 -1.26 -1.37 116.55 124.64 1yhq n ASP 35 Ca -0.07 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.60 1yhq n ASP 35 Cb 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1yhq n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yhq n GLY 36 N 1.53 3.40 3.76 0.44 0.00 0.19 -4.98 105.19 109.54 1yhq n GLY 36 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1yhq n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yhq s GLU 37 N -0.80 4.44 -0.03 1.61 2.02 -0.47 -4.72 118.70 120.75 1yhq s GLU 37 Ca 0.00 2.07 -0.26 0.00 0.02 0.00 0.00 54.97 56.80 1yhq s GLU 37 Cb 0.00 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 1yhq s GLU 37 CO 0.00 -0.09 0.81 0.15 0.02 0.00 0.00 175.26 176.16 1yhq s LYS 38 N -1.38 4.49 -0.01 1.61 -0.14 -1.26 -1.37 119.74 121.68 1yhq s LYS 38 Ca 0.49 1.10 0.03 0.00 -1.36 0.00 0.00 55.97 56.23 1yhq s LYS 38 Cb -0.37 -3.45 -0.00 0.00 -1.68 0.00 0.00 37.83 32.33 1yhq s LYS 38 CO 0.47 0.03 -0.09 0.14 -0.76 0.00 0.00 175.35 175.14 1yhq s VAL 39 N 0.83 0.75 0.12 3.17 -7.23 -0.61 -1.76 120.40 115.67 1yhq s VAL 39 Ca 0.43 -0.39 -0.23 0.00 -1.81 0.00 0.00 61.98 59.98 1yhq s VAL 39 Cb -0.19 -0.63 -0.07 0.00 0.56 0.00 0.00 36.38 36.04 1yhq s VAL 39 CO 0.22 0.22 0.70 -1.00 -0.31 0.00 0.00 175.10 174.93 1yhq s HIS 40 N -0.12 3.86 -0.22 2.82 3.76 0.30 -1.01 115.29 124.68 1yhq s HIS 40 Ca 0.02 1.50 -0.08 0.00 -0.15 0.00 0.00 55.06 56.34 1yhq s HIS 40 Cb -0.05 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 1yhq s HIS 40 CO -0.00 0.52 0.09 -0.51 -0.85 0.00 0.00 174.74 174.00 1yhq s LEU 41 N -1.06 3.79 -0.29 0.89 1.02 0.41 -2.47 118.68 120.98 1yhq s LEU 41 Ca 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 54.13 54.43 1yhq s LEU 41 Cb -0.22 -1.99 0.15 0.00 0.02 0.00 0.00 46.19 44.15 1yhq s LEU 41 CO 0.23 0.08 0.59 -0.75 0.02 0.00 0.00 176.35 176.53 1yhq s LYS 42 N 0.95 0.54 0.38 1.70 2.47 -0.66 -0.99 119.74 124.13 1yhq s LYS 42 Ca 0.05 1.20 -0.27 0.00 -1.56 0.00 0.00 55.97 55.39 1yhq s LYS 42 Cb -0.14 0.63 -0.09 0.00 -1.46 0.00 0.00 37.83 36.77 1yhq s LYS 42 CO 0.03 -0.38 1.33 0.42 0.16 0.00 0.00 175.35 176.91 1yhq s ILE 43 N 2.84 2.56 -0.41 5.43 1.01 -1.26 -4.42 121.20 126.94 1yhq s ILE 43 Ca 0.05 0.53 -0.16 0.00 0.00 0.00 0.00 60.65 61.07 1yhq s ILE 43 Cb -0.13 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.03 1yhq s ILE 43 CO -0.19 0.10 0.36 -0.62 0.00 0.00 0.00 174.94 174.59 1yhq s ASP 44 N -0.59 6.15 0.37 3.58 -1.08 -1.26 -4.97 116.67 118.88 1yhq s ASP 44 Ca 0.54 -0.78 0.19 0.00 -0.52 0.00 0.00 52.55 51.99 1yhq s ASP 44 Cb -0.40 -2.19 1.21 0.00 -1.46 0.00 0.00 42.92 40.09 1yhq s ASP 44 CO 0.52 -0.51 1.64 -0.65 0.52 0.00 0.00 175.17 176.70 1yhq h PRO 45 N 8.67 0.20 0.00 4.34 0.11 -1.90 0.11 132.00 143.54 1yhq h PRO 45 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1yhq h PRO 45 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1yhq h PRO 45 CO 0.76 0.14 0.00 0.77 -0.21 0.00 0.00 178.00 179.45 1yhq h SER 46 N 0.21 0.00 -3.45 -2.05 0.02 -1.91 -3.42 113.55 102.94 1yhq h SER 46 Ca 0.77 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 61.00 1yhq h SER 46 Cb 1.97 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 64.30 1yhq h SER 46 CO -0.59 0.00 -0.38 -0.69 -1.14 0.00 0.00 176.83 174.04 1yhq s VAL 47 N -3.45 5.23 0.06 2.27 1.01 0.38 -4.85 120.40 121.06 1yhq s VAL 47 Ca 0.04 -0.72 -0.34 0.00 0.00 0.00 0.00 61.98 60.96 1yhq s VAL 47 Cb 0.08 -3.99 -0.19 0.00 0.00 0.00 0.00 36.38 32.27 1yhq s VAL 47 CO 0.58 -0.39 1.58 -0.65 0.00 0.00 0.00 175.10 176.22 1yhq h PRO 48 N 8.67 -0.96 -7.15 2.72 0.11 -1.82 -3.43 132.00 130.14 1yhq h PRO 48 Ca -0.27 0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.44 1yhq h PRO 48 Cb 1.12 0.22 0.06 0.00 0.11 0.00 0.00 31.00 32.51 1yhq h PRO 48 CO 0.77 -0.64 0.18 -0.80 -0.21 0.00 0.00 178.00 177.31 1yhq s ASN 49 N -4.33 5.33 -0.39 -2.05 0.01 -1.26 -4.42 114.94 107.83 1yhq s ASN 49 Ca -0.18 0.59 0.00 0.00 -0.71 0.00 0.00 52.86 52.56 1yhq s ASN 49 Cb 0.03 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.22 1yhq s ASN 49 CO 0.61 -1.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.57 1yhq n GLY 50 N -2.67 0.65 3.89 0.66 0.00 -1.26 -4.89 105.19 101.56 1yhq n GLY 50 Ca 0.06 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 1yhq n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yhq s ARG 51 N -1.71 2.93 0.53 1.61 0.52 -1.26 -2.30 118.95 119.26 1yhq s ARG 51 Ca 0.00 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1yhq s ARG 51 Cb 0.00 -2.07 0.01 0.00 0.52 0.00 0.00 34.95 33.41 1yhq s ARG 51 CO 0.00 -0.93 0.18 -0.59 0.02 0.00 0.00 175.30 173.98 1yhq s PHE 52 N -3.27 1.70 0.03 -0.53 -0.12 -1.26 -4.85 117.98 109.68 1yhq s PHE 52 Ca 0.57 -0.93 -0.30 0.00 -0.05 0.00 0.00 56.93 56.22 1yhq s PHE 52 Cb -0.11 -1.73 -0.07 0.00 -0.63 0.00 0.00 43.02 40.48 1yhq s PHE 52 CO 0.51 -0.10 1.51 -1.58 -0.05 0.00 0.00 175.22 175.51 1yhq s HIS 53 N -2.85 2.68 0.45 3.49 5.65 -1.26 -4.86 115.29 118.59 1yhq s HIS 53 Ca 0.16 0.61 0.32 0.00 0.25 0.00 0.00 55.06 56.40 1yhq s HIS 53 Cb -0.00 -3.79 1.45 0.00 -1.18 0.00 0.00 32.58 29.06 1yhq s HIS 53 CO 0.10 -3.04 1.62 -1.35 -0.65 0.00 0.00 174.74 171.43 1yhq h PRO 54 N 8.01 0.07 -0.14 2.88 0.11 -1.98 0.23 132.00 141.19 1yhq h PRO 54 Ca -0.40 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.75 1yhq h PRO 54 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1yhq h PRO 54 CO 0.91 0.05 0.34 -0.09 -0.21 0.00 0.00 178.00 179.00 1yhq h ARG 55 N 0.08 0.00 -0.11 1.05 2.43 -1.89 -1.27 114.38 114.66 1yhq h ARG 55 Ca 0.82 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.99 1yhq h ARG 55 Cb 2.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.20 1yhq h ARG 55 CO -0.38 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.27 1yhq n PHE 56 N -3.22 0.13 -1.73 2.20 3.72 0.79 -4.95 117.46 114.40 1yhq n PHE 56 Ca 0.01 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.92 1yhq n PHE 56 Cb 0.43 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.96 1yhq n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1yhq n ASP 57 N 0.48 3.44 0.00 4.37 8.00 -0.48 -2.29 116.55 130.07 1yhq n ASP 57 Ca 0.17 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.85 1yhq n ASP 57 Cb 0.39 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1yhq n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yhq n GLY 58 N 1.53 1.76 3.76 0.44 0.00 -0.16 -5.03 105.19 107.49 1yhq n GLY 58 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1yhq n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yhq s GLN 59 N -0.95 2.25 -0.34 1.61 -1.52 -0.97 -4.78 119.66 114.97 1yhq s GLN 59 Ca 0.00 1.26 -0.00 0.00 -1.95 0.00 0.00 55.36 54.66 1yhq s GLN 59 Cb 0.00 -1.89 0.11 0.00 -0.22 0.00 0.00 33.01 31.01 1yhq s GLN 59 CO 0.00 -1.66 0.13 0.99 -0.25 0.00 0.00 175.29 174.50 1yhq s THR 60 N -2.76 0.92 0.00 -0.19 2.01 -1.26 -0.44 115.64 113.92 1yhq s THR 60 Ca 0.63 -1.63 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1yhq s THR 60 Cb -0.18 -1.69 0.00 0.00 0.01 0.00 0.00 72.50 70.64 1yhq s THR 60 CO 0.53 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 1yhq n GLY 61 N 4.56 1.53 2.94 4.40 0.00 -0.18 -4.83 105.19 113.61 1yhq n GLY 61 Ca 0.01 -2.04 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 1yhq n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yhq s THR 62 N 1.07 1.30 0.16 2.61 2.01 -0.21 -1.57 115.64 121.00 1yhq s THR 62 Ca 0.00 -0.68 -0.33 0.00 0.31 0.00 0.00 61.69 61.00 1yhq s THR 62 Cb 0.00 -1.39 -0.12 0.00 0.01 0.00 0.00 72.50 71.00 1yhq s THR 62 CO 0.00 0.22 1.70 0.52 -0.69 0.00 0.00 174.62 176.37 1yhq n VAL 63 N 4.82 0.10 -2.61 3.82 0.31 -0.47 -1.44 118.33 122.86 1yhq n VAL 63 Ca -0.13 -0.02 -0.11 0.00 -0.01 0.00 0.00 64.34 64.07 1yhq n VAL 63 Cb 0.48 -1.85 0.03 0.00 -0.91 0.00 0.00 33.84 31.59 1yhq n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yhq n GLU 64 N 4.23 1.97 0.00 5.55 -0.58 -0.22 0.56 120.64 132.15 1yhq n GLU 64 Ca 0.17 -3.63 0.00 0.00 -0.42 0.00 0.00 57.16 53.28 1yhq n GLU 64 Cb 0.33 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1yhq n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yhq n GLY 65 N -0.36 -1.15 3.25 0.62 0.00 -1.26 -4.88 105.19 101.41 1yhq n GLY 65 Ca 0.17 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1yhq n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yhq s LYS 66 N -0.96 1.06 -0.26 1.61 -2.85 -1.26 -1.29 119.74 115.79 1yhq s LYS 66 Ca 0.00 -1.31 -0.00 0.00 -1.00 0.00 0.00 55.97 53.66 1yhq s LYS 66 Cb 0.00 0.31 0.08 0.00 -2.06 0.00 0.00 37.83 36.16 1yhq s LYS 66 CO 0.00 -0.35 0.02 -1.14 0.10 0.00 0.00 175.35 173.98 1yhq s GLN 67 N -4.01 1.11 5.29 1.78 0.74 -0.56 -4.86 119.66 119.16 1yhq s GLN 67 Ca 0.21 -0.96 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1yhq s GLN 67 Cb 0.05 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.81 1yhq s GLN 67 CO 0.01 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.41 1yhq n GLY 68 N 4.78 2.03 0.10 2.59 0.00 -1.26 -2.16 105.19 111.27 1yhq n GLY 68 Ca -0.07 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1yhq n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yhq h ASP 69 N 9.49 0.00 -4.37 1.61 3.32 -2.00 -3.46 116.42 121.00 1yhq h ASP 69 Ca 0.00 -0.10 -0.50 0.00 0.02 0.00 0.00 57.03 56.45 1yhq h ASP 69 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1yhq h ASP 69 CO 0.00 0.05 0.39 0.00 -1.72 0.00 0.00 179.24 177.96 1yhq s ALA 70 N -3.17 2.76 0.18 3.45 0.00 -0.92 -4.74 121.76 119.32 1yhq s ALA 70 Ca 0.07 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.94 1yhq s ALA 70 Cb 0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1yhq s ALA 70 CO 0.68 -1.17 0.11 0.71 0.00 0.00 0.00 175.76 176.09 1yhq s TYR 71 N -3.20 3.07 -0.36 0.00 1.51 0.10 -1.49 117.35 116.99 1yhq s TYR 71 Ca 0.58 -0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 56.50 1yhq s TYR 71 Cb -0.12 -1.46 0.04 0.00 -0.11 0.00 0.00 41.96 40.31 1yhq s TYR 71 CO 0.54 0.52 0.15 0.15 -1.11 0.00 0.00 175.55 175.79 1yhq s LYS 72 N -3.19 2.65 -0.15 -0.62 1.02 -0.41 -0.54 119.74 118.50 1yhq s LYS 72 Ca 0.30 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 55.06 1yhq s LYS 72 Cb -0.09 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1yhq s LYS 72 CO 0.22 -0.71 -0.04 0.08 -0.92 0.00 0.00 175.35 173.98 1yhq s VAL 73 N 1.43 3.87 -0.06 3.17 1.01 0.49 -1.05 120.40 129.26 1yhq s VAL 73 Ca -0.00 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1yhq s VAL 73 Cb -0.20 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1yhq s VAL 73 CO 0.03 0.50 0.45 -1.81 0.00 0.00 0.00 175.10 174.28 1yhq s ASP 74 N 0.26 6.76 0.31 3.32 1.01 -0.52 -0.10 116.67 127.71 1yhq s ASP 74 Ca -0.03 0.90 0.05 0.00 0.71 0.00 0.00 52.55 54.18 1yhq s ASP 74 Cb -0.14 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.48 1yhq s ASP 74 CO 0.03 0.15 0.26 0.27 0.21 0.00 0.00 175.17 176.09 1yhq s ILE 75 N -0.18 0.00 -0.26 0.77 -4.36 -0.46 -1.05 121.20 115.66 1yhq s ILE 75 Ca 0.25 -1.98 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1yhq s ILE 75 Cb -0.16 -2.50 0.08 0.00 1.25 0.00 0.00 42.46 41.12 1yhq s ILE 75 CO 0.12 0.00 0.04 -0.69 0.24 0.00 0.00 174.94 174.65 1yhq s VAL 76 N -3.56 0.99 -0.56 8.37 1.01 -1.26 -1.50 120.40 123.89 1yhq s VAL 76 Ca 0.40 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 1yhq s VAL 76 Cb 0.03 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.89 1yhq s VAL 76 CO 0.24 -0.40 1.12 -0.62 0.00 0.00 0.00 175.10 175.45 1yhq s ASP 77 N 1.60 6.45 1.22 3.32 2.15 0.13 -4.74 116.67 126.80 1yhq s ASP 77 Ca 0.03 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1yhq s ASP 77 Cb -0.18 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1yhq s ASP 77 CO -0.15 -1.38 0.00 0.61 -0.17 0.00 0.00 175.17 174.09 1yhq n GLY 78 N 5.04 0.66 0.16 2.66 0.00 -1.26 -0.08 105.19 112.38 1yhq n GLY 78 Ca 0.07 0.54 0.02 0.00 0.00 0.00 0.00 46.02 46.65 1yhq n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 79 N 0.00 -1.03 3.69 -0.02 0.00 -1.26 -5.02 105.19 101.56 1yhq n GLY 79 Ca 0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1yhq n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yhq s LYS 80 N -0.37 3.79 0.17 1.61 2.20 0.89 -5.08 119.74 122.94 1yhq s LYS 80 Ca 0.05 -0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 1yhq s LYS 80 Cb 0.03 -3.18 -0.07 0.00 -1.51 0.00 0.00 37.83 33.10 1yhq s LYS 80 CO 0.05 0.42 1.04 -1.21 -0.36 0.00 0.00 175.35 175.29 1yhq s GLU 81 N -0.03 4.66 0.03 4.03 2.02 -1.26 0.20 118.70 128.35 1yhq s GLU 81 Ca 0.07 1.61 -0.01 0.00 0.02 0.00 0.00 54.97 56.65 1yhq s GLU 81 Cb -0.12 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.78 1yhq s GLU 81 CO 0.01 0.17 -0.01 0.15 0.02 0.00 0.00 175.26 175.61 1yhq s LYS 82 N -0.37 0.44 -0.16 1.61 1.02 -0.56 -4.91 119.74 116.79 1yhq s LYS 82 Ca 0.47 -0.78 -0.02 0.00 0.02 0.00 0.00 55.97 55.66 1yhq s LYS 82 Cb -0.27 0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.18 1yhq s LYS 82 CO 0.33 -0.08 -0.07 0.99 -0.92 0.00 0.00 175.35 175.60 1yhq s THR 83 N -2.27 3.46 -0.14 2.17 2.01 -1.26 -1.36 115.64 118.24 1yhq s THR 83 Ca -0.08 -0.50 -0.00 0.00 0.31 0.00 0.00 61.69 61.41 1yhq s THR 83 Cb -0.04 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1yhq s THR 83 CO -0.04 0.48 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.61 1yhq s ILE 84 N 0.67 2.95 -0.21 1.82 1.01 0.85 -4.92 121.20 123.37 1yhq s ILE 84 Ca -0.04 -0.69 -0.22 0.00 0.00 0.00 0.00 60.65 59.70 1yhq s ILE 84 Cb -0.15 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1yhq s ILE 84 CO 0.02 0.52 0.70 -0.63 0.00 0.00 0.00 174.94 175.55 1yhq s ILE 85 N 0.55 4.96 -0.22 2.92 -1.09 -1.26 -0.38 121.20 126.68 1yhq s ILE 85 Ca -0.09 1.33 -0.20 0.00 -2.23 0.00 0.00 60.65 59.46 1yhq s ILE 85 Cb -0.16 -4.01 0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1yhq s ILE 85 CO 0.04 0.05 0.58 0.54 -1.23 0.00 0.00 174.94 174.91 1yhq s VAL 86 N 2.20 -0.00 0.48 2.92 0.11 0.30 -4.52 120.40 121.89 1yhq s VAL 86 Ca 0.31 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 1yhq s VAL 86 Cb -0.16 -0.80 -0.06 0.00 -1.53 0.00 0.00 36.38 33.83 1yhq s VAL 86 CO 0.10 0.00 0.88 0.42 -3.33 0.00 0.00 175.10 173.17 1yhq s THR 87 N 0.33 4.71 0.48 5.04 -4.23 -0.97 0.03 115.64 121.03 1yhq s THR 87 Ca -0.00 0.80 0.22 0.00 -1.18 0.00 0.00 61.69 61.53 1yhq s THR 87 Cb -0.04 -3.76 0.40 0.00 1.34 0.00 0.00 72.50 70.43 1yhq s THR 87 CO 0.00 -0.70 1.93 0.00 -0.54 0.00 0.00 174.62 175.32 1yhq h ALA 88 N 0.81 2.40 -0.73 3.99 0.00 -1.83 -1.59 119.26 122.30 1yhq h ALA 88 Ca -0.47 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.65 1yhq h ALA 88 Cb 1.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1yhq h ALA 88 CO 0.63 -0.61 0.69 0.00 0.00 0.00 0.00 179.25 179.96 1yhq h ALA 89 N 1.66 2.55 -0.27 0.00 0.00 -1.74 0.23 119.26 121.69 1yhq h ALA 89 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1yhq h ALA 89 Cb 1.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yhq h ALA 89 CO -0.06 -1.07 0.00 0.72 0.00 0.00 0.00 179.25 178.84 1yhq n HIS 90 N -3.78 0.76 -4.39 0.00 -0.00 -0.60 -4.54 115.22 102.67 1yhq n HIS 90 Ca 0.15 -0.77 -0.24 0.00 -0.00 0.00 0.00 57.72 56.86 1yhq n HIS 90 Cb 0.95 -0.23 -0.11 0.00 -0.00 0.00 0.00 29.99 30.60 1yhq n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yhq s LEU 91 N -2.31 2.46 -0.08 2.41 1.43 0.81 -1.66 118.68 121.75 1yhq s LEU 91 Ca 0.36 -0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1yhq s LEU 91 Cb 0.27 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.53 1yhq s LEU 91 CO 0.10 0.03 0.21 -0.13 0.23 0.00 0.00 176.35 176.79 1yhq s ARG 92 N -2.88 0.23 0.42 1.70 1.81 -1.03 -4.96 118.95 114.23 1yhq s ARG 92 Ca 0.20 0.35 -0.26 0.00 -1.72 0.00 0.00 55.73 54.30 1yhq s ARG 92 Cb -0.06 0.05 -0.09 0.00 -0.45 0.00 0.00 34.95 34.40 1yhq s ARG 92 CO 0.09 -0.07 1.34 1.03 -0.68 0.00 0.00 175.30 177.01 1yhq s ARG 93 N 0.44 3.88 0.18 3.54 0.52 -1.26 -0.54 118.95 125.70 1yhq s ARG 93 Ca -0.03 2.23 -0.28 0.00 -0.52 0.00 0.00 55.73 57.13 1yhq s ARG 93 Cb -0.04 -2.72 -0.08 0.00 0.52 0.00 0.00 34.95 32.63 1yhq s ARG 93 CO -0.02 -0.59 0.89 -1.14 0.02 0.00 0.00 175.30 174.45 1yhq s GLN 94 N -2.31 4.72 0.00 3.54 0.74 -0.72 -4.76 119.66 120.86 1yhq s GLN 94 Ca 0.58 1.36 0.00 0.00 0.05 0.00 0.00 55.36 57.35 1yhq s GLN 94 Cb -0.40 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1yhq s GLN 94 CO 0.51 0.45 0.00 -1.91 -0.55 0.00 0.00 175.29 173.78