#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq n LYS 2 N 0.00 0.49 -2.26 4.33 2.85 -1.26 -4.80 118.16 117.51 1yhq n LYS 2 Ca 0.00 0.06 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 1yhq n LYS 2 Cb 0.00 -1.73 -0.03 0.00 -0.65 0.00 0.00 35.03 32.62 1yhq n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1yhq s GLN 3 N -3.31 4.27 0.26 -1.58 -0.21 -1.26 -4.93 119.66 112.90 1yhq s GLN 3 Ca 0.01 1.90 -0.01 0.00 0.02 0.00 0.00 55.36 57.28 1yhq s GLN 3 Cb 0.12 -3.67 0.57 0.00 1.00 0.00 0.00 33.01 31.03 1yhq s GLN 3 CO 0.79 -0.62 1.73 -1.35 -2.12 0.00 0.00 175.29 173.71 1yhq h PRO 4 N 8.10 0.46 -0.34 2.91 0.11 -1.99 -1.58 132.00 139.66 1yhq h PRO 4 Ca -0.35 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1yhq h PRO 4 Cb 1.16 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1yhq h PRO 4 CO 0.92 0.30 0.21 -0.44 -0.21 0.00 0.00 178.00 178.78 1yhq h ASP 5 N 0.47 0.34 0.06 -2.05 5.19 -2.00 -1.16 116.42 117.29 1yhq h ASP 5 Ca 0.48 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.79 1yhq h ASP 5 Cb 0.78 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 1yhq h ASP 5 CO -0.44 0.25 -0.29 0.11 -3.12 0.00 0.00 179.24 175.75 1yhq h LYS 6 N 0.43 0.36 0.27 3.56 1.57 -1.79 -1.27 116.57 119.69 1yhq h LYS 6 Ca 0.13 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1yhq h LYS 6 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1yhq h LYS 6 CO -0.05 0.62 -0.13 1.96 -0.57 0.00 0.00 179.45 181.28 1yhq h GLN 7 N 0.31 -0.35 -0.59 3.15 1.08 -0.84 -1.21 115.11 116.67 1yhq h GLN 7 Ca 0.04 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1yhq h GLN 7 Cb 0.68 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 1yhq h GLN 7 CO 0.05 -0.06 0.29 0.00 -0.95 0.00 0.00 178.83 178.16 1yhq h ARG 8 N -0.62 0.83 -0.25 1.46 3.08 -1.20 -2.71 114.38 114.98 1yhq h ARG 8 Ca -0.04 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1yhq h ARG 8 Cb 0.44 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1yhq h ARG 8 CO 0.06 0.64 0.04 -0.22 -1.07 0.00 0.00 179.97 179.42 1yhq h LYS 9 N 0.83 0.41 0.00 0.04 3.64 -1.13 -0.55 116.57 119.81 1yhq h LYS 9 Ca 0.21 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1yhq h LYS 9 Cb 0.08 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1yhq h LYS 9 CO -0.03 0.54 0.00 0.66 -2.27 0.00 0.00 179.45 178.35 1yhq h SER 10 N 0.22 0.00 0.16 4.20 4.64 -1.02 -0.89 113.55 120.85 1yhq h SER 10 Ca 0.07 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.07 1yhq h SER 10 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1yhq h SER 10 CO 0.00 0.00 -1.62 1.56 -0.87 0.00 0.00 176.83 175.91 1yhq h GLN 11 N 0.00 0.34 0.00 4.77 4.20 -1.17 -3.07 115.11 120.19 1yhq h GLN 11 Ca 0.00 -0.58 -0.05 0.00 0.06 0.00 0.00 58.65 58.09 1yhq h GLN 11 Cb 0.37 0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1yhq h GLN 11 CO 0.00 1.28 -0.22 0.00 -0.67 0.00 0.00 178.83 179.22 1yhq h ARG 12 N -0.05 0.00 -0.26 1.46 3.08 -0.76 -3.26 114.38 114.59 1yhq h ARG 12 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1yhq h ARG 12 Cb 1.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.02 1yhq h ARG 12 CO 0.13 0.22 0.00 0.54 -1.07 0.00 0.00 179.97 179.79 1yhq n ARG 13 N -3.28 2.08 -1.74 0.04 1.74 -0.37 -5.02 116.66 110.11 1yhq n ARG 13 Ca 0.01 -1.82 -0.42 0.00 -0.77 0.00 0.00 57.85 54.85 1yhq n ARG 13 Cb 0.49 -1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 30.63 1yhq n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yhq n ALA 14 N 0.72 2.13 -0.99 7.54 0.00 -1.16 -4.96 120.51 123.79 1yhq n ALA 14 Ca 0.11 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1yhq n ALA 14 Cb 0.41 -2.39 0.14 0.00 0.00 0.00 0.00 19.45 17.60 1yhq n ALA 14 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1yhq s PRO 15 N -1.39 1.50 0.29 0.00 0.02 -1.26 -4.75 135.00 129.42 1yhq s PRO 15 Ca 0.58 1.64 0.03 0.00 0.02 0.00 0.00 61.00 63.27 1yhq s PRO 15 Cb -0.51 -1.77 0.73 0.00 0.02 0.00 0.00 34.50 32.96 1yhq s PRO 15 CO 0.57 -2.29 1.66 -0.07 -0.33 0.00 0.00 177.00 176.55 1yhq h LEU 16 N -1.21 0.12 -0.72 -5.54 3.38 -1.98 -0.16 115.31 109.21 1yhq h LEU 16 Ca -0.45 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yhq h LEU 16 Cb 1.28 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1yhq h LEU 16 CO 0.45 -0.11 0.00 1.12 0.09 0.00 0.00 178.44 179.99 1yhq h HIS 17 N 0.27 0.00 -0.01 1.13 2.07 -2.02 -2.19 115.15 114.40 1yhq h HIS 17 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 1yhq h HIS 17 Cb 1.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.09 1yhq h HIS 17 CO -0.21 0.00 -0.35 0.39 -3.07 0.00 0.00 177.93 174.69 1yhq n GLU 18 N -2.39 0.89 0.00 5.12 1.02 -0.09 -3.96 120.64 121.24 1yhq n GLU 18 Ca 0.02 -0.60 0.13 0.00 -0.02 0.00 0.00 57.16 56.69 1yhq n GLU 18 Cb 0.27 -1.49 0.45 0.00 -0.02 0.00 0.00 31.44 30.66 1yhq n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yhq n ARG 19 N -0.53 0.33 -0.30 3.49 1.74 -0.82 -3.71 116.66 116.85 1yhq n ARG 19 Ca 0.11 -0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.01 1yhq n ARG 19 Cb 0.38 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.42 1yhq n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1yhq h HIS 20 N 0.34 1.20 0.00 -1.55 3.86 -1.69 -0.79 115.15 116.52 1yhq h HIS 20 Ca 0.00 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1yhq h HIS 20 Cb 0.46 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1yhq h HIS 20 CO 0.00 0.87 0.00 0.36 0.86 0.00 0.00 177.93 180.02 1yhq n LYS 21 N -4.31 0.03 0.00 2.45 2.85 -1.24 -1.39 118.16 116.55 1yhq n LYS 21 Ca 0.08 0.27 0.13 0.00 -1.05 0.00 0.00 58.31 57.74 1yhq n LYS 21 Cb 0.14 -1.50 0.39 0.00 -0.65 0.00 0.00 35.03 33.41 1yhq n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1yhq n GLN 22 N -1.47 1.59 -1.55 -1.58 6.02 -0.31 -3.92 117.38 116.17 1yhq n GLN 22 Ca 0.03 -1.04 -0.08 0.00 -0.01 0.00 0.00 57.00 55.90 1yhq n GLN 22 Cb 0.14 -1.48 0.09 0.00 1.02 0.00 0.00 30.24 30.01 1yhq n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1yhq n VAL 23 N 0.20 2.05 -3.69 5.09 0.24 -0.48 -4.75 118.33 116.99 1yhq n VAL 23 Ca 0.16 -3.44 -0.33 0.00 -2.04 0.00 0.00 64.34 58.70 1yhq n VAL 23 Cb 0.40 -0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 32.37 1yhq n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1yhq s ARG 24 N -3.17 3.62 0.07 7.34 0.52 -1.24 -1.88 118.95 124.21 1yhq s ARG 24 Ca 0.42 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 1yhq s ARG 24 Cb 0.38 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1yhq s ARG 24 CO -0.03 0.54 -0.08 0.00 0.02 0.00 0.00 175.30 175.75 1yhq s ALA 25 N -1.52 0.83 0.51 2.13 0.00 0.27 -4.21 121.76 119.76 1yhq s ALA 25 Ca 0.36 -1.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.04 1yhq s ALA 25 Cb -0.13 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 1yhq s ALA 25 CO 0.22 -0.11 1.15 -0.08 0.00 0.00 0.00 175.76 176.94 1yhq s THR 26 N -2.46 3.13 0.31 0.00 -1.32 -1.24 -0.78 115.64 113.28 1yhq s THR 26 Ca 0.01 0.77 -0.05 0.00 -1.21 0.00 0.00 61.69 61.22 1yhq s THR 26 Cb -0.03 -3.35 -0.05 0.00 -1.51 0.00 0.00 72.50 67.57 1yhq s THR 26 CO -0.02 -0.09 0.58 -0.76 -2.21 0.00 0.00 174.62 172.13 1yhq s LEU 27 N -3.45 4.01 1.13 9.08 1.43 0.54 -1.50 118.68 129.91 1yhq s LEU 27 Ca 0.69 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.38 1yhq s LEU 27 Cb -0.26 -3.57 0.26 0.00 0.03 0.00 0.00 46.19 42.65 1yhq s LEU 27 CO 0.30 -0.24 1.05 -0.94 0.23 0.00 0.00 176.35 176.75 1yhq s SER 28 N -3.30 1.42 0.11 2.29 1.04 -0.79 -4.71 113.70 109.76 1yhq s SER 28 Ca 0.44 1.22 -0.21 0.00 0.48 0.00 0.00 55.95 57.88 1yhq s SER 28 Cb -0.11 -1.89 -0.08 0.00 0.10 0.00 0.00 66.02 64.04 1yhq s SER 28 CO 0.31 -3.89 1.72 0.00 0.98 0.00 0.00 173.24 172.37 1yhq h ALA 29 N -2.41 0.08 0.41 5.32 0.00 -1.98 -1.49 119.26 119.19 1yhq h ALA 29 Ca -0.57 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1yhq h ALA 29 Cb 1.33 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1yhq h ALA 29 CO 0.51 -0.48 -0.23 -0.44 0.00 0.00 0.00 179.25 178.61 1yhq h ASP 30 N 0.02 -0.57 -0.74 0.00 3.32 -1.98 -2.61 116.42 113.86 1yhq h ASP 30 Ca 0.05 0.03 0.08 0.00 0.02 0.00 0.00 57.03 57.21 1yhq h ASP 30 Cb 0.08 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1yhq h ASP 30 CO -0.11 -0.38 0.48 -0.07 -1.72 0.00 0.00 179.24 177.45 1yhq h LEU 31 N -0.61 0.64 -0.53 1.55 3.38 -1.91 0.16 115.31 118.00 1yhq h LEU 31 Ca -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1yhq h LEU 31 Cb 0.49 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1yhq h LEU 31 CO 0.06 0.40 0.22 0.03 0.09 0.00 0.00 178.44 179.25 1yhq h ARG 32 N 0.72 0.78 -0.44 1.13 3.08 -1.08 -1.29 114.38 117.27 1yhq h ARG 32 Ca 0.33 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1yhq h ARG 32 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1yhq h ARG 32 CO -0.11 0.67 -0.22 1.49 -1.07 0.00 0.00 179.97 180.72 1yhq h GLU 33 N 0.71 0.91 -0.36 0.04 4.57 -0.92 -0.33 114.58 119.19 1yhq h GLU 33 Ca 0.18 -0.38 -0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1yhq h GLU 33 Cb 0.17 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1yhq h GLU 33 CO -0.02 1.04 0.03 1.49 -1.18 0.00 0.00 179.01 180.37 1yhq h GLU 34 N 0.79 0.62 -0.28 1.92 4.81 -0.40 -3.33 114.58 118.71 1yhq h GLU 34 Ca 0.10 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1yhq h GLU 34 Cb 0.78 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1yhq h GLU 34 CO 0.06 0.71 0.00 0.66 -0.73 0.00 0.00 179.01 179.72 1yhq n TYR 35 N -4.52 0.37 -3.64 0.92 4.02 -0.52 -5.02 117.16 108.78 1yhq n TYR 35 Ca -0.01 -0.45 -0.22 0.00 -0.01 0.00 0.00 57.90 57.21 1yhq n TYR 35 Cb 0.25 -0.03 0.04 0.00 -0.02 0.00 0.00 39.34 39.59 1yhq n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yhq n GLY 36 N 0.42 -0.49 3.23 2.72 0.00 -0.14 -4.81 105.19 106.12 1yhq n GLY 36 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1yhq n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yhq s GLN 37 N -5.78 0.76 -0.07 1.61 -0.21 -1.17 -5.06 119.66 109.73 1yhq s GLN 37 Ca 0.12 -0.47 0.09 0.00 0.02 0.00 0.00 55.36 55.12 1yhq s GLN 37 Cb -0.03 0.33 -0.24 0.00 1.00 0.00 0.00 33.01 34.07 1yhq s GLN 37 CO 0.81 -0.23 0.54 -2.13 -2.12 0.00 0.00 175.29 172.15 1yhq n ARG 38 N 0.73 0.66 -4.11 2.91 0.63 -1.26 -4.32 116.66 111.90 1yhq n ARG 38 Ca -0.19 0.26 -0.13 0.00 -0.92 0.00 0.00 57.85 56.87 1yhq n ARG 38 Cb 0.59 -1.75 -0.06 0.00 0.45 0.00 0.00 32.46 31.68 1yhq n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1yhq s ASN 39 N -6.23 0.51 0.19 6.15 4.22 -1.26 -0.34 114.94 118.18 1yhq s ASN 39 Ca -0.09 -1.33 -0.09 0.00 -2.14 0.00 0.00 52.86 49.21 1yhq s ASN 39 Cb 0.08 0.56 -0.01 0.00 1.28 0.00 0.00 41.25 43.15 1yhq s ASN 39 CO 0.81 -1.11 0.32 0.54 -2.04 0.00 0.00 177.10 175.62 1yhq s VAL 40 N -3.65 0.04 -0.36 3.54 0.11 0.04 -4.80 120.40 115.31 1yhq s VAL 40 Ca 0.31 -1.45 -0.25 0.00 -2.93 0.00 0.00 61.98 57.66 1yhq s VAL 40 Cb 0.02 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.86 1yhq s VAL 40 CO 0.16 -0.17 0.87 -0.60 -3.33 0.00 0.00 175.10 172.02 1yhq s ARG 41 N -4.00 3.83 0.20 1.54 3.52 -1.24 -0.57 118.95 122.23 1yhq s ARG 41 Ca 0.21 0.50 -0.33 0.00 -0.13 0.00 0.00 55.73 55.99 1yhq s ARG 41 Cb 0.03 -3.79 -0.13 0.00 -1.56 0.00 0.00 34.95 29.49 1yhq s ARG 41 CO 0.04 -0.88 1.63 0.28 -0.81 0.00 0.00 175.30 175.56 1yhq n VAL 42 N 5.86 0.15 -4.29 7.11 0.31 -0.79 -4.96 118.33 121.72 1yhq n VAL 42 Ca 0.05 -0.04 -0.24 0.00 -0.01 0.00 0.00 64.34 64.11 1yhq n VAL 42 Cb 0.48 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1yhq n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1yhq s ASN 43 N 0.94 4.52 0.00 4.52 0.01 -1.26 -4.98 114.94 118.69 1yhq s ASN 43 Ca 0.75 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1yhq s ASN 43 Cb -0.59 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1yhq s ASN 43 CO 0.37 0.02 0.29 0.00 -1.51 0.00 0.00 177.10 176.27 1yhq n ALA 44 N -0.73 1.80 0.00 0.60 0.00 -1.26 -2.33 120.51 118.59 1yhq n ALA 44 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1yhq n ALA 44 Cb 0.58 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1yhq n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 45 N 0.21 0.00 3.63 0.00 0.00 -1.25 -4.55 105.19 103.23 1yhq n GLY 45 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1yhq n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yhq n ASP 46 N -1.39 -0.04 -4.62 1.61 8.00 -0.98 -4.57 116.55 114.56 1yhq n ASP 46 Ca 0.00 0.39 -0.32 0.00 0.71 0.00 0.00 54.79 55.57 1yhq n ASP 46 Cb 0.22 -1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 39.78 1yhq n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1yhq s THR 47 N -2.60 3.77 0.05 -3.53 2.01 0.45 -0.93 115.64 114.86 1yhq s THR 47 Ca 0.66 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.83 1yhq s THR 47 Cb -0.23 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1yhq s THR 47 CO 0.59 0.35 0.08 0.54 -0.69 0.00 0.00 174.62 175.49 1yhq s VAL 48 N -1.05 0.16 -0.10 3.82 0.11 0.29 -1.78 120.40 121.84 1yhq s VAL 48 Ca 0.18 -1.34 0.04 0.00 -2.93 0.00 0.00 61.98 57.93 1yhq s VAL 48 Cb -0.11 -1.19 -0.00 0.00 -1.53 0.00 0.00 36.38 33.55 1yhq s VAL 48 CO 0.09 -0.74 -0.23 -1.83 -3.33 0.00 0.00 175.10 169.06 1yhq s GLU 49 N -3.32 3.07 -0.15 1.54 -1.05 0.79 -1.45 118.70 118.13 1yhq s GLU 49 Ca 0.01 -0.87 -0.29 0.00 -0.15 0.00 0.00 54.97 53.67 1yhq s GLU 49 Cb 0.03 -2.33 -0.01 0.00 -0.44 0.00 0.00 34.13 31.38 1yhq s GLU 49 CO -0.08 0.17 1.23 0.08 0.95 0.00 0.00 175.26 177.61 1yhq s VAL 50 N 0.37 4.32 -1.69 1.83 1.01 0.24 -1.37 120.40 125.11 1yhq s VAL 50 Ca -0.18 1.61 0.17 0.00 0.00 0.00 0.00 61.98 63.58 1yhq s VAL 50 Cb -0.18 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1yhq s VAL 50 CO 0.08 -0.12 0.92 0.18 0.00 0.00 0.00 175.10 176.17 1yhq n LEU 51 N 6.34 1.84 0.00 3.92 4.77 -0.42 0.83 117.00 134.27 1yhq n LEU 51 Ca 0.13 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1yhq n LEU 51 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1yhq n LEU 51 CO 0.55 0.34 -0.08 0.54 -1.33 0.00 0.00 177.39 177.42 1yhq n ARG 52 N 0.09 0.00 0.00 3.23 5.12 -1.22 -4.85 116.66 119.03 1yhq n ARG 52 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1yhq n ARG 52 Cb 0.38 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.35 1yhq n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yhq n GLY 53 N 1.77 -2.83 0.01 -0.13 0.00 -1.26 -4.58 105.19 98.16 1yhq n GLY 53 Ca 0.00 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.22 1yhq n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yhq n ASP 54 N 0.00 0.10 -1.22 1.61 10.43 -1.26 -2.89 116.55 123.32 1yhq n ASP 54 Ca 0.00 0.44 0.09 0.00 2.57 0.00 0.00 54.79 57.89 1yhq n ASP 54 Cb 0.00 -0.45 0.29 0.00 1.84 0.00 0.00 41.12 42.80 1yhq n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1yhq n PHE 55 N -1.55 1.05 -1.66 1.24 3.01 -1.26 -5.00 117.46 113.28 1yhq n PHE 55 Ca 0.07 -0.58 -0.46 0.00 1.01 0.00 0.00 57.45 57.49 1yhq n PHE 55 Cb 0.35 -0.14 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 1yhq n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yhq n ALA 56 N 0.93 1.02 0.00 4.37 0.00 -1.14 -1.71 120.51 123.98 1yhq n ALA 56 Ca 0.21 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1yhq n ALA 56 Cb 0.71 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1yhq n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 57 N 2.60 3.17 3.87 0.00 0.00 0.24 -4.97 105.19 110.12 1yhq n GLY 57 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1yhq n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yhq s GLU 58 N -0.80 3.82 0.17 1.61 2.02 -0.69 -4.84 118.70 119.99 1yhq s GLU 58 Ca 0.00 0.41 0.09 0.00 0.02 0.00 0.00 54.97 55.49 1yhq s GLU 58 Cb 0.00 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1yhq s GLU 58 CO 0.00 0.12 -0.19 -1.21 0.02 0.00 0.00 175.26 174.01 1yhq s GLU 59 N -3.37 1.32 -0.11 1.61 2.02 -1.26 -0.59 118.70 118.31 1yhq s GLU 59 Ca 0.50 -1.45 -0.33 0.00 0.02 0.00 0.00 54.97 53.71 1yhq s GLU 59 Cb -0.10 -1.39 0.15 0.00 0.10 0.00 0.00 34.13 32.89 1yhq s GLU 59 CO 0.25 0.28 1.43 0.20 0.02 0.00 0.00 175.26 177.45 1yhq s GLY 60 N -2.74 -0.47 0.10 -1.39 0.00 -0.53 -4.97 107.32 97.32 1yhq s GLY 60 Ca 0.17 1.05 -0.23 0.00 0.00 0.00 0.00 44.72 45.71 1yhq s GLY 60 CO 0.07 0.22 0.70 1.85 0.00 0.00 0.00 173.10 175.95 1yhq s GLU 61 N -2.03 4.43 0.01 2.90 2.12 -1.26 -0.55 118.70 124.32 1yhq s GLU 61 Ca 0.15 0.99 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 1yhq s GLU 61 Cb 0.07 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 1yhq s GLU 61 CO -0.06 0.51 1.37 0.08 -0.54 0.00 0.00 175.26 176.62 1yhq s VAL 62 N -0.81 3.75 -0.10 3.70 1.01 -0.10 -0.67 120.40 127.17 1yhq s VAL 62 Ca 0.34 1.15 0.20 0.00 0.00 0.00 0.00 61.98 63.66 1yhq s VAL 62 Cb -0.21 -3.74 -0.29 0.00 0.00 0.00 0.00 36.38 32.14 1yhq s VAL 62 CO 0.23 0.01 0.29 -0.38 0.00 0.00 0.00 175.10 175.25 1yhq n ILE 63 N 4.57 0.59 -3.64 2.22 2.08 0.12 -3.94 119.36 121.36 1yhq n ILE 63 Ca 0.13 -0.64 -0.14 0.00 0.56 0.00 0.00 62.75 62.65 1yhq n ILE 63 Cb 0.44 -0.20 -0.08 0.00 -0.75 0.00 0.00 39.64 39.05 1yhq n ILE 63 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1yhq s ASN 64 N -4.86 -0.62 -0.22 4.38 2.47 -1.17 -4.94 114.94 109.98 1yhq s ASN 64 Ca -0.09 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.28 1yhq s ASN 64 Cb 0.10 1.08 0.06 0.00 -1.45 0.00 0.00 41.25 41.04 1yhq s ASN 64 CO 0.85 -0.30 -0.05 -0.69 -3.72 0.00 0.00 177.10 173.19 1yhq s VAL 65 N -0.04 1.34 -0.46 -5.21 1.01 -1.26 -0.25 120.40 115.54 1yhq s VAL 65 Ca -0.03 -1.02 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 1yhq s VAL 65 Cb -0.04 -1.61 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1yhq s VAL 65 CO 0.03 -0.06 0.43 -0.62 0.00 0.00 0.00 175.10 174.87 1yhq s ASP 66 N 1.49 6.16 0.21 3.32 -1.08 0.42 -4.94 116.67 122.25 1yhq s ASP 66 Ca -0.04 -1.04 -0.05 0.00 -0.52 0.00 0.00 52.55 50.90 1yhq s ASP 66 Cb -0.18 -2.21 0.17 0.00 -1.46 0.00 0.00 42.92 39.24 1yhq s ASP 66 CO -0.07 -0.64 1.62 -0.07 0.52 0.00 0.00 175.17 176.54 1yhq h LEU 67 N 8.96 0.81 0.21 -1.34 3.38 -1.94 0.20 115.31 125.59 1yhq h LEU 67 Ca -0.28 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.41 1yhq h LEU 67 Cb 1.11 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1yhq h LEU 67 CO 0.85 1.01 -0.35 -0.78 0.09 0.00 0.00 178.44 179.26 1yhq h ASP 68 N 0.70 -0.98 -0.07 -0.43 1.82 -1.96 -2.36 116.42 113.15 1yhq h ASP 68 Ca 0.10 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1yhq h ASP 68 Cb 0.74 0.36 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1yhq h ASP 68 CO 0.06 -0.45 0.00 0.29 -1.61 0.00 0.00 179.24 177.53 1yhq n LYS 69 N -5.44 1.72 -3.82 0.28 5.02 -1.22 -4.95 118.16 109.74 1yhq n LYS 69 Ca -0.08 -1.06 -0.25 0.00 -2.02 0.00 0.00 58.31 54.91 1yhq n LYS 69 Cb 0.35 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1yhq n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1yhq n ALA 70 N 0.28 -2.12 -2.13 7.82 0.00 0.59 -4.98 120.51 119.97 1yhq n ALA 70 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1yhq n ALA 70 Cb 0.36 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.57 1yhq n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yhq s VAL 71 N -3.78 0.18 0.11 0.00 1.01 -0.63 -4.68 120.40 112.60 1yhq s VAL 71 Ca 0.09 -1.87 0.05 0.00 0.00 0.00 0.00 61.98 60.25 1yhq s VAL 71 Cb -0.03 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1yhq s VAL 71 CO 0.86 -0.70 -0.13 0.27 0.00 0.00 0.00 175.10 175.40 1yhq s ILE 72 N -3.98 1.16 -0.17 2.22 -4.36 -0.63 -0.44 121.20 115.01 1yhq s ILE 72 Ca 0.17 -1.64 -0.04 0.00 -0.26 0.00 0.00 60.65 58.87 1yhq s ILE 72 Cb 0.08 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 1yhq s ILE 72 CO -0.03 -0.45 -0.02 -1.00 0.24 0.00 0.00 174.94 173.68 1yhq s HIS 73 N -2.15 3.05 -0.06 1.37 3.76 0.66 -1.42 115.29 120.50 1yhq s HIS 73 Ca 0.06 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.72 1yhq s HIS 73 Cb -0.05 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 1yhq s HIS 73 CO 0.02 -0.06 -0.16 0.08 -0.85 0.00 0.00 174.74 173.77 1yhq s VAL 74 N 0.49 2.91 0.16 -0.90 1.01 -1.26 0.14 120.40 122.95 1yhq s VAL 74 Ca -0.02 -0.77 -0.34 0.00 0.00 0.00 0.00 61.98 60.85 1yhq s VAL 74 Cb -0.14 -2.14 -0.14 0.00 0.00 0.00 0.00 36.38 33.96 1yhq s VAL 74 CO 0.02 0.58 1.52 1.21 0.00 0.00 0.00 175.10 178.44 1yhq n GLU 75 N 2.57 2.00 -0.41 2.72 2.13 0.15 -1.68 120.64 128.11 1yhq n GLU 75 Ca -0.17 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1yhq n GLU 75 Cb 0.52 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1yhq n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1yhq n ASP 76 N 3.14 0.00 -4.46 4.31 8.00 -1.26 -4.64 116.55 121.65 1yhq n ASP 76 Ca 0.17 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.23 1yhq n ASP 76 Cb 0.28 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 1yhq n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yhq s VAL 77 N -3.02 4.78 0.33 2.53 1.01 -0.68 -4.95 120.40 120.40 1yhq s VAL 77 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 61.98 60.19 1yhq s VAL 77 Cb 0.00 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1yhq s VAL 77 CO 0.00 -1.55 0.13 0.42 0.00 0.00 0.00 175.10 174.10 1yhq s THR 78 N 2.48 0.57 0.06 3.92 -4.23 -1.26 -1.46 115.64 115.72 1yhq s THR 78 Ca 0.36 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1yhq s THR 78 Cb -0.04 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 1yhq s THR 78 CO -0.07 0.00 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.09 1yhq s LEU 79 N -3.45 2.24 -0.31 4.79 1.43 0.35 -4.73 118.68 119.00 1yhq s LEU 79 Ca 0.33 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1yhq s LEU 79 Cb 0.05 -0.66 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 1yhq s LEU 79 CO 0.16 0.01 0.22 -0.70 0.23 0.00 0.00 176.35 176.27 1yhq s GLU 80 N -1.52 3.73 1.29 1.70 2.12 -1.26 -0.54 118.70 124.21 1yhq s GLU 80 Ca 0.02 -0.48 -0.21 0.00 0.36 0.00 0.00 54.97 54.66 1yhq s GLU 80 Cb -0.09 -3.73 0.32 0.00 0.26 0.00 0.00 34.13 30.89 1yhq s GLU 80 CO 0.02 -0.31 1.07 0.15 -0.54 0.00 0.00 175.26 175.65 1yhq s LYS 81 N 1.75 -1.92 0.12 4.30 1.02 0.27 -4.90 119.74 120.38 1yhq s LYS 81 Ca 0.07 -0.14 -0.13 0.00 0.02 0.00 0.00 55.97 55.79 1yhq s LYS 81 Cb -0.17 -1.52 -0.08 0.00 -0.52 0.00 0.00 37.83 35.54 1yhq s LYS 81 CO 0.11 -4.16 1.41 1.15 -0.92 0.00 0.00 175.35 172.94 1yhq h THR 82 N -2.90 1.29 0.00 2.17 2.02 -1.98 -2.81 112.91 110.70 1yhq h THR 82 Ca -0.42 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.14 1yhq h THR 82 Cb 1.30 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1yhq h THR 82 CO 0.28 0.53 0.00 -0.90 0.37 0.00 0.00 175.52 175.80 1yhq n ASP 83 N -4.11 0.00 0.00 4.18 5.68 -1.26 -4.84 116.55 116.20 1yhq n ASP 83 Ca -0.04 0.33 0.00 0.00 -0.50 0.00 0.00 54.79 54.58 1yhq n ASP 83 Cb 0.57 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1yhq n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yhq n GLY 84 N -0.25 2.72 3.62 6.12 0.00 -1.06 -5.07 105.19 111.27 1yhq n GLY 84 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1yhq n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yhq n GLU 85 N -0.80 0.92 -3.84 1.61 2.13 -1.26 -4.58 120.64 114.82 1yhq n GLU 85 Ca 0.00 0.36 -0.36 0.00 0.66 0.00 0.00 57.16 57.81 1yhq n GLU 85 Cb 0.00 -2.17 -0.13 0.00 0.27 0.00 0.00 31.44 29.40 1yhq n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1yhq s GLU 86 N -2.75 2.86 0.16 5.31 2.12 -1.26 -0.56 118.70 124.57 1yhq s GLU 86 Ca 0.76 -0.99 0.07 0.00 0.36 0.00 0.00 54.97 55.16 1yhq s GLU 86 Cb -0.42 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 1yhq s GLU 86 CO 0.47 -0.49 -0.01 0.14 -0.54 0.00 0.00 175.26 174.83 1yhq s VAL 87 N 1.40 3.70 0.51 3.70 -7.23 0.30 -4.89 120.40 117.90 1yhq s VAL 87 Ca 0.00 -1.38 -0.21 0.00 -1.81 0.00 0.00 61.98 58.58 1yhq s VAL 87 Cb -0.18 -2.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.86 1yhq s VAL 87 CO -0.00 -0.07 1.19 -2.16 -0.31 0.00 0.00 175.10 173.75 1yhq s PRO 88 N -2.83 3.47 -0.43 4.82 0.04 -1.26 0.13 135.00 138.94 1yhq s PRO 88 Ca 0.27 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 1yhq s PRO 88 Cb -0.10 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.30 1yhq s PRO 88 CO 0.18 -0.80 0.29 0.50 0.04 0.00 0.00 177.00 177.21 1yhq s ARG 89 N -2.94 2.59 0.37 4.56 6.06 -0.54 -4.66 118.95 124.39 1yhq s ARG 89 Ca 0.69 -1.53 -0.25 0.00 -2.50 0.00 0.00 55.73 52.14 1yhq s ARG 89 Cb -0.29 -3.83 -0.13 0.00 0.06 0.00 0.00 34.95 30.76 1yhq s ARG 89 CO 0.35 -1.02 0.80 -2.30 -2.50 0.00 0.00 175.30 170.63 1yhq n PRO 90 N 4.93 0.95 -4.47 5.12 -0.02 -1.26 -4.77 135.00 135.48 1yhq n PRO 90 Ca -0.10 0.34 -0.23 0.00 -2.02 0.00 0.00 63.50 61.49 1yhq n PRO 90 Cb 0.42 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.06 1yhq n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yhq s LEU 91 N 0.83 2.19 0.03 2.45 1.43 -0.51 -4.94 118.68 120.17 1yhq s LEU 91 Ca 0.62 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.97 1yhq s LEU 91 Cb -0.64 -0.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 1yhq s LEU 91 CO 0.58 0.09 0.68 -0.62 0.23 0.00 0.00 176.35 177.31 1yhq s ASP 92 N -1.30 7.10 0.54 2.29 -1.08 -1.26 -1.61 116.67 121.36 1yhq s ASP 92 Ca 0.05 1.32 0.36 0.00 -0.52 0.00 0.00 52.55 53.75 1yhq s ASP 92 Cb -0.09 -2.42 1.75 0.00 -1.46 0.00 0.00 42.92 40.71 1yhq s ASP 92 CO 0.02 0.08 2.08 0.71 0.52 0.00 0.00 175.17 178.58 1yhq h THR 93 N 4.04 0.00 0.00 1.71 1.35 -1.83 -2.15 112.91 116.03 1yhq h THR 93 Ca -0.45 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1yhq h THR 93 Cb 1.20 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1yhq h THR 93 CO 0.70 0.00 -0.05 -1.28 -0.25 0.00 0.00 175.52 174.64 1yhq h SER 94 N 0.00 0.00 -0.53 5.36 0.87 -1.92 -1.14 113.55 116.19 1yhq h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yhq h SER 94 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1yhq h SER 94 CO 0.00 0.05 0.00 0.59 -0.53 0.00 0.00 176.83 176.94 1yhq n ASN 95 N -3.72 5.14 -4.29 6.23 3.02 -0.81 -4.96 115.26 115.87 1yhq n ASN 95 Ca -0.02 -2.82 -0.17 0.00 -0.03 0.00 0.00 54.58 51.53 1yhq n ASN 95 Cb 0.15 -0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 38.59 1yhq n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1yhq s VAL 96 N -2.54 1.49 -0.05 2.41 1.01 -0.43 -1.31 120.40 120.98 1yhq s VAL 96 Ca 0.51 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1yhq s VAL 96 Cb 0.38 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1yhq s VAL 96 CO 0.17 -0.59 -0.02 -0.60 0.00 0.00 0.00 175.10 174.06 1yhq s ARG 97 N -3.44 0.61 -0.19 2.72 3.52 -0.47 -3.72 118.95 117.98 1yhq s ARG 97 Ca 0.18 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.50 1yhq s ARG 97 Cb -0.01 -0.79 -0.00 0.00 -1.56 0.00 0.00 34.95 32.60 1yhq s ARG 97 CO 0.04 -0.17 1.09 0.08 -0.81 0.00 0.00 175.30 175.53 1yhq s VAL 98 N 1.31 4.59 -0.04 7.11 1.01 -0.56 -0.15 120.40 133.67 1yhq s VAL 98 Ca -0.05 1.91 0.16 0.00 0.00 0.00 0.00 61.98 63.99 1yhq s VAL 98 Cb -0.13 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.78 1yhq s VAL 98 CO -0.02 -0.14 0.31 0.35 0.00 0.00 0.00 175.10 175.60 1yhq n THR 99 N 5.20 0.13 -3.76 3.92 -2.24 -0.74 -1.88 114.28 114.91 1yhq n THR 99 Ca 0.12 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 1yhq n THR 99 Cb 0.46 0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 1yhq n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yhq s ASP 100 N -3.96 -0.26 0.06 3.42 -1.08 -1.15 -4.95 116.67 108.74 1yhq s ASP 100 Ca -0.06 0.51 0.02 0.00 -0.52 0.00 0.00 52.55 52.50 1yhq s ASP 100 Cb 0.09 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.97 1yhq s ASP 100 CO 0.65 -0.12 0.11 -0.76 0.52 0.00 0.00 175.17 175.57 1yhq s LEU 101 N 0.64 3.96 -0.48 -1.34 1.43 -1.26 -0.41 118.68 121.22 1yhq s LEU 101 Ca -0.04 0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 1yhq s LEU 101 Cb -0.06 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.69 1yhq s LEU 101 CO -0.04 0.19 0.38 -0.62 0.23 0.00 0.00 176.35 176.50 1yhq s ASP 102 N -2.31 6.00 -0.46 2.29 -1.08 -1.26 -4.88 116.67 114.97 1yhq s ASP 102 Ca 0.30 -1.53 0.04 0.00 -0.52 0.00 0.00 52.55 50.83 1yhq s ASP 102 Cb -0.12 -2.13 0.55 0.00 -1.46 0.00 0.00 42.92 39.76 1yhq s ASP 102 CO 0.22 -0.68 1.78 0.18 0.52 0.00 0.00 175.17 177.20 1yhq n LEU 103 N 5.12 6.24 0.28 -1.34 4.77 -1.26 -4.62 117.00 126.19 1yhq n LEU 103 Ca -0.12 -3.95 0.18 0.00 -0.03 0.00 0.00 56.01 52.09 1yhq n LEU 103 Cb 0.42 -0.79 0.88 0.00 -2.33 0.00 0.00 43.42 41.60 1yhq n LEU 103 CO 0.46 1.32 1.04 -0.33 -1.33 0.00 0.00 177.39 178.56 1yhq h GLU 104 N 1.39 0.00 -5.18 3.23 5.08 -2.02 -3.42 114.58 113.66 1yhq h GLU 104 Ca 0.51 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 58.25 1yhq h GLU 104 Cb 1.88 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 31.00 1yhq h GLU 104 CO 1.05 0.00 -0.35 0.34 -1.00 0.00 0.00 179.01 179.05 1yhq s ASP 105 N -5.17 6.24 0.20 1.42 2.15 -1.26 -4.98 116.67 115.27 1yhq s ASP 105 Ca -0.01 0.26 -0.11 0.00 0.43 0.00 0.00 52.55 53.12 1yhq s ASP 105 Cb 0.10 -2.17 0.22 0.00 -0.30 0.00 0.00 42.92 40.77 1yhq s ASP 105 CO 0.44 -0.05 1.76 -0.33 -0.17 0.00 0.00 175.17 176.83 1yhq h GLU 106 N 7.72 0.44 -0.21 4.34 5.08 -2.00 -2.01 114.58 127.94 1yhq h GLU 106 Ca -0.36 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1yhq h GLU 106 Cb 1.17 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1yhq h GLU 106 CO 0.66 0.29 0.14 0.87 -1.00 0.00 0.00 179.01 179.97 1yhq h LYS 107 N 0.46 0.28 -0.21 2.33 1.57 -1.96 0.42 116.57 119.46 1yhq h LYS 107 Ca 0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1yhq h LYS 107 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1yhq h LYS 107 CO -0.24 0.19 0.11 -0.09 -0.57 0.00 0.00 179.45 178.85 1yhq h ARG 108 N 0.28 0.30 -0.22 3.15 2.43 -1.91 -0.84 114.38 117.57 1yhq h ARG 108 Ca 0.08 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1yhq h ARG 108 Cb -0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1yhq h ARG 108 CO -0.02 0.31 0.03 1.49 -1.51 0.00 0.00 179.97 180.27 1yhq h GLU 109 N 0.22 0.11 -0.42 0.20 4.81 -1.21 -0.82 114.58 117.46 1yhq h GLU 109 Ca 0.07 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1yhq h GLU 109 Cb 0.10 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1yhq h GLU 109 CO -0.01 0.07 0.21 0.00 -0.73 0.00 0.00 179.01 178.55 1yhq h ALA 110 N 1.17 0.53 -0.41 2.92 0.00 -0.76 -1.31 119.26 121.40 1yhq h ALA 110 Ca 0.10 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1yhq h ALA 110 Cb 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1yhq h ALA 110 CO -0.15 -0.14 0.14 -0.09 0.00 0.00 0.00 179.25 179.00 1yhq h ARG 111 N 0.43 0.29 0.34 0.00 2.43 -0.64 0.79 114.38 118.02 1yhq h ARG 111 Ca 0.18 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1yhq h ARG 111 Cb 0.08 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1yhq h ARG 111 CO -0.12 0.19 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.29 1yhq h LEU 112 N 0.30 -0.39 -0.96 3.80 3.38 -0.76 -3.19 115.31 117.48 1yhq h LEU 112 Ca 0.19 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1yhq h LEU 112 Cb 0.18 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1yhq h LEU 112 CO -0.20 -0.24 0.31 -0.33 0.09 0.00 0.00 178.44 178.07 1yhq h GLU 113 N -0.51 1.05 -6.99 1.13 5.08 -1.05 -3.44 114.58 109.86 1yhq h GLU 113 Ca -0.05 -0.17 -0.55 0.00 -1.00 0.00 0.00 59.36 57.59 1yhq h GLU 113 Cb 0.38 -0.18 0.18 0.00 0.50 0.00 0.00 28.75 29.63 1yhq h GLU 113 CO 0.08 0.84 0.15 -1.13 -1.00 0.00 0.00 179.01 177.95 1yhq n SER 114 N -4.30 0.64 -0.07 1.42 3.41 0.26 -4.93 113.62 110.05 1yhq n SER 114 Ca 0.07 0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1yhq n SER 114 Cb 0.16 -1.43 -0.14 0.00 -0.26 0.00 0.00 64.21 62.54 1yhq n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1yhq n GLU 115 N -2.00 0.68 0.00 4.33 0.28 -1.26 -4.30 120.64 118.37 1yhq n GLU 115 Ca 0.13 0.15 0.09 0.00 -0.16 0.00 0.00 57.16 57.37 1yhq n GLU 115 Cb 0.49 -1.63 0.41 0.00 1.43 0.00 0.00 31.44 32.15 1yhq n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1yhq n ASP 116 N -3.06 0.00 -4.05 -1.84 8.00 -1.26 -4.79 116.55 109.56 1yhq n ASP 116 Ca -0.31 0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.35 1yhq n ASP 116 Cb 1.08 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 41.69 1yhq n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yhq s ASP 117 N -2.77 0.48 0.12 -2.24 -1.08 -1.26 -5.16 116.67 104.76 1yhq s ASP 117 Ca 0.13 -0.72 0.10 0.00 -0.52 0.00 0.00 52.55 51.54 1yhq s ASP 117 Cb 0.12 0.13 -0.04 0.00 -1.46 0.00 0.00 42.92 41.66 1yhq s ASP 117 CO 0.29 -0.41 -0.23 -0.94 0.52 0.00 0.00 175.17 174.41 1yhq s SER 118 N -2.12 3.57 0.00 -0.34 1.04 -1.26 -4.71 113.70 109.88 1yhq s SER 118 Ca -0.05 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1yhq s SER 118 Cb -0.02 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1yhq s SER 118 CO -0.04 0.18 0.49 0.00 0.98 0.00 0.00 173.24 174.85