#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s SER 2 N 0.00 5.29 0.10 8.00 1.04 -1.26 -5.00 113.70 121.88 1yhq s SER 2 Ca 0.00 0.34 -0.26 0.00 0.48 0.00 0.00 55.95 56.51 1yhq s SER 2 Cb 0.00 -1.24 -0.10 0.00 0.10 0.00 0.00 66.02 64.78 1yhq s SER 2 CO 0.00 -1.20 1.67 0.50 0.98 0.00 0.00 173.24 175.19 1yhq h LYS 3 N -0.14 -0.35 -0.67 4.02 3.64 -2.08 -2.59 116.57 118.39 1yhq h LYS 3 Ca -0.44 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.11 1yhq h LYS 3 Cb 1.29 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 33.07 1yhq h LYS 3 CO 0.57 -0.24 -0.01 0.87 -2.27 0.00 0.00 179.45 178.38 1yhq h LYS 4 N -0.37 0.10 0.00 1.90 1.57 -2.02 0.82 116.57 118.57 1yhq h LYS 4 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1yhq h LYS 4 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1yhq h LYS 4 CO -0.08 0.07 0.00 1.17 -0.57 0.00 0.00 179.45 180.04 1yhq n LYS 5 N -5.31 0.11 -0.06 3.15 3.00 -0.99 -1.76 118.16 116.29 1yhq n LYS 5 Ca 0.11 0.57 0.10 0.00 -0.00 0.00 0.00 58.31 59.08 1yhq n LYS 5 Cb 0.40 -1.83 0.12 0.00 0.00 0.00 0.00 35.03 33.72 1yhq n LYS 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1yhq n ARG 6 N -2.05 1.90 0.18 1.64 1.74 0.28 -4.58 116.66 115.76 1yhq n ARG 6 Ca -0.01 -1.82 0.04 0.00 -0.77 0.00 0.00 57.85 55.30 1yhq n ARG 6 Cb 0.05 -1.39 0.28 0.00 -1.02 0.00 0.00 32.46 30.38 1yhq n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1yhq h GLN 7 N 3.72 0.00 -6.29 5.56 1.08 -1.33 -3.44 115.11 114.41 1yhq h GLN 7 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1yhq h GLN 7 Cb 0.82 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1yhq h GLN 7 CO 0.00 0.42 1.21 0.54 -0.95 0.00 0.00 178.83 180.06 1yhq n ARG 8 N -3.52 2.51 0.00 1.46 5.12 -1.26 -1.06 116.66 119.92 1yhq n ARG 8 Ca -0.00 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 1yhq n ARG 8 Cb 0.55 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 28.97 1yhq n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yhq n GLY 9 N 4.64 2.48 0.19 -0.13 0.00 -1.26 -4.93 105.19 106.19 1yhq n GLY 9 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1yhq n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yhq h SER 10 N 0.00 0.00 0.00 1.61 4.64 -1.39 -3.48 113.55 114.94 1yhq h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yhq h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yhq h SER 10 CO 0.00 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 1yhq n ARG 11 N -2.79 0.00 -0.16 4.77 0.63 -1.26 -4.33 116.66 113.51 1yhq n ARG 11 Ca 0.04 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.08 1yhq n ARG 11 Cb 0.43 0.00 0.25 0.00 0.45 0.00 0.00 32.46 33.60 1yhq n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1yhq n THR 12 N 0.00 0.42 -4.41 5.15 -2.24 -1.26 -4.97 114.28 106.97 1yhq n THR 12 Ca 0.00 -0.63 -0.37 0.00 -2.27 0.00 0.00 64.05 60.77 1yhq n THR 12 Cb 0.00 0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 1yhq n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1yhq n HIS 13 N 1.18 -1.28 -0.62 4.78 8.25 -1.26 -0.21 115.22 126.07 1yhq n HIS 13 Ca 0.18 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 1yhq n HIS 13 Cb 0.53 -2.38 0.00 0.00 1.12 0.00 0.00 29.99 29.26 1yhq n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yhq n GLY 14 N -1.66 1.62 0.00 -1.41 0.00 -1.26 -4.91 105.19 97.57 1yhq n GLY 14 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1yhq n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 15 N -2.00 -1.00 6.38 -0.02 0.00 0.71 -5.01 105.19 104.26 1yhq n GLY 15 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yhq n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 16 N 0.85 0.09 3.58 -0.02 0.00 -1.26 -4.73 105.19 103.69 1yhq n GLY 16 Ca 0.18 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 1yhq n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yhq n SER 17 N 2.55 1.18 0.00 1.61 2.88 -1.26 -4.81 113.62 115.77 1yhq n SER 17 Ca 0.00 1.16 0.06 0.00 -1.33 0.00 0.00 58.87 58.76 1yhq n SER 17 Cb 0.00 -1.28 0.36 0.00 -0.75 0.00 0.00 64.21 62.54 1yhq n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yhq n HIS 18 N 0.11 0.00 1.42 0.66 -0.00 -1.26 -1.49 115.22 114.66 1yhq n HIS 18 Ca 0.10 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.95 1yhq n HIS 18 Cb 0.33 -0.12 0.48 0.00 -0.00 0.00 0.00 29.99 30.68 1yhq n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yhq n LYS 19 N -1.12 1.33 0.00 -1.40 5.02 -1.26 -4.57 118.16 116.16 1yhq n LYS 19 Ca 0.08 -0.76 -0.00 0.00 -2.02 0.00 0.00 58.31 55.61 1yhq n LYS 19 Cb 0.07 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1yhq n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1yhq h ASN 20 N 1.85 -0.02 -0.30 4.39 2.35 -1.56 -3.42 115.58 118.87 1yhq h ASN 20 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 1yhq h ASN 20 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1yhq h ASN 20 CO 0.00 0.05 1.29 0.54 -1.65 0.00 0.00 177.43 177.65 1yhq n ARG 21 N -2.39 1.36 0.00 0.81 1.74 -1.26 -4.73 116.66 112.20 1yhq n ARG 21 Ca -0.00 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 1yhq n ARG 21 Cb 0.01 -3.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.95 1yhq n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yhq n ARG 22 N 7.95 0.00 0.00 5.56 1.74 -1.26 -5.14 116.66 125.50 1yhq n ARG 22 Ca 0.46 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1yhq n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1yhq n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhq n GLY 23 N 5.00 1.80 0.23 -0.13 0.00 -1.26 -4.93 105.19 105.90 1yhq n GLY 23 Ca 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.19 1yhq n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq h ALA 24 N -1.05 1.06 -0.48 4.61 0.00 -1.99 -2.18 119.26 119.24 1yhq h ALA 24 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yhq h ALA 24 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1yhq h ALA 24 CO 0.00 -0.06 0.22 0.78 0.00 0.00 0.00 179.25 180.19 1yhq h GLY 25 N 0.00 0.71 2.00 0.00 0.00 -1.92 0.04 103.07 103.90 1yhq h GLY 25 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1yhq h GLY 25 CO 0.00 0.31 0.00 1.57 0.00 0.00 0.00 176.54 178.42 1yhq n HIS 26 N -4.39 0.07 -0.01 5.60 -0.00 -0.82 -1.31 115.22 114.36 1yhq n HIS 26 Ca 0.04 0.03 0.02 0.00 -0.00 0.00 0.00 57.72 57.80 1yhq n HIS 26 Cb 0.12 -0.55 0.04 0.00 -0.00 0.00 0.00 29.99 29.60 1yhq n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1yhq n ARG 27 N -1.56 2.21 -1.90 1.57 1.74 -0.16 -4.98 116.66 113.57 1yhq n ARG 27 Ca 0.02 -1.44 -0.13 0.00 -0.77 0.00 0.00 57.85 55.53 1yhq n ARG 27 Cb 0.11 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.45 1yhq n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yhq n GLY 28 N -0.14 0.44 0.00 -0.13 0.00 -0.43 -4.78 105.19 100.16 1yhq n GLY 28 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1yhq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 29 N -1.17 2.38 3.80 -0.02 0.00 -0.26 -4.65 105.19 105.27 1yhq n GLY 29 Ca -0.14 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 1yhq n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yhq s ARG 30 N -2.42 4.36 7.86 1.61 0.52 -1.26 -4.67 118.95 124.94 1yhq s ARG 30 Ca 0.00 0.93 0.00 0.00 -0.52 0.00 0.00 55.73 56.14 1yhq s ARG 30 Cb 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.24 1yhq s ARG 30 CO 0.00 0.60 0.00 0.41 0.02 0.00 0.00 175.30 176.33 1yhq n GLY 31 N 1.61 3.54 1.68 -3.53 0.00 -1.26 -2.26 105.19 104.97 1yhq n GLY 31 Ca -0.08 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1yhq n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yhq n ASP 32 N 4.80 4.22 -4.75 1.61 8.00 -1.26 -4.95 116.55 124.21 1yhq n ASP 32 Ca 0.00 -2.86 -0.41 0.00 0.71 0.00 0.00 54.79 52.23 1yhq n ASP 32 Cb 0.00 -0.77 -0.02 0.00 -0.02 0.00 0.00 41.12 40.31 1yhq n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhq s ALA 33 N -1.66 3.68 0.00 2.24 0.00 -0.96 -2.55 121.76 122.51 1yhq s ALA 33 Ca 0.29 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1yhq s ALA 33 Cb 0.24 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1yhq s ALA 33 CO 0.04 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1yhq n GLY 34 N 1.90 0.62 0.00 0.00 0.00 -1.26 -4.80 105.19 101.65 1yhq n GLY 34 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1yhq n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yhq n ARG 35 N -2.74 0.00 0.00 1.61 -4.01 -1.06 -0.31 116.66 110.15 1yhq n ARG 35 Ca 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 57.85 56.95 1yhq n ARG 35 Cb 0.00 -1.51 0.00 0.00 -3.04 0.00 0.00 32.46 27.91 1yhq n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1yhq n ASP 36 N -1.11 0.52 0.00 2.89 5.75 -1.26 -3.90 116.55 119.43 1yhq n ASP 36 Ca 0.00 -1.06 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 1yhq n ASP 36 Cb 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1yhq n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yhq n LYS 37 N -0.03 0.00 0.29 0.11 4.76 0.57 -4.78 118.16 119.08 1yhq n LYS 37 Ca 0.00 0.00 0.19 0.00 -2.87 0.00 0.00 58.31 55.63 1yhq n LYS 37 Cb 0.17 0.00 0.88 0.00 -1.84 0.00 0.00 35.03 34.23 1yhq n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1yhq h HIS 38 N 0.00 0.00 -0.56 2.13 2.07 -1.94 -3.21 115.15 113.64 1yhq h HIS 38 Ca 0.00 0.00 -0.40 0.00 -2.85 0.00 0.00 60.37 57.12 1yhq h HIS 38 Cb 0.00 0.00 -0.38 0.00 2.57 0.00 0.00 27.41 29.60 1yhq h HIS 38 CO 0.00 0.00 -0.87 0.39 -3.07 0.00 0.00 177.93 174.38 1yhq n GLU 39 N -2.99 2.76 0.23 5.12 1.02 -0.47 -4.80 120.64 121.50 1yhq n GLU 39 Ca -0.01 -3.81 0.07 0.00 -0.02 0.00 0.00 57.16 53.39 1yhq n GLU 39 Cb 0.20 -1.94 0.53 0.00 -0.02 0.00 0.00 31.44 30.21 1yhq n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yhq h PHE 40 N 2.11 0.00 -1.18 -0.32 -5.15 -1.56 -3.39 116.94 107.46 1yhq h PHE 40 Ca 0.17 0.00 -0.83 0.00 -0.20 0.00 0.00 57.97 57.12 1yhq h PHE 40 Cb 1.43 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.61 1yhq h PHE 40 CO 0.72 0.21 0.78 0.72 -2.00 0.00 0.00 178.31 178.75 1yhq n HIS 41 N -4.04 1.86 -1.01 6.09 -0.00 -1.26 -1.70 115.22 115.16 1yhq n HIS 41 Ca -0.02 0.92 -0.00 0.00 -0.00 0.00 0.00 57.72 58.62 1yhq n HIS 41 Cb 0.29 -2.31 -0.00 0.00 -0.00 0.00 0.00 29.99 27.96 1yhq n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1yhq n ASN 42 N 4.59 -4.45 -4.89 0.41 5.03 -1.26 -5.01 115.26 109.69 1yhq n ASN 42 Ca 0.30 0.01 -0.31 0.00 0.87 0.00 0.00 54.58 55.45 1yhq n ASN 42 Cb 0.01 -1.97 -0.05 0.00 -1.02 0.00 0.00 39.78 36.75 1yhq n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1yhq s HIS 43 N -1.54 3.45 0.41 3.10 3.76 -0.69 -5.04 115.29 118.75 1yhq s HIS 43 Ca 0.00 0.73 -0.25 0.00 -0.15 0.00 0.00 55.06 55.39 1yhq s HIS 43 Cb 0.00 -2.15 -0.08 0.00 1.11 0.00 0.00 32.58 31.46 1yhq s HIS 43 CO 0.00 0.29 1.21 -1.21 -0.85 0.00 0.00 174.74 174.18 1yhq s GLU 44 N -2.97 3.98 0.92 1.40 2.02 -1.26 -4.95 118.70 117.84 1yhq s GLU 44 Ca 0.45 1.93 -0.11 0.00 0.02 0.00 0.00 54.97 57.26 1yhq s GLU 44 Cb -0.11 -2.66 0.12 0.00 0.10 0.00 0.00 34.13 31.58 1yhq s GLU 44 CO 0.24 -0.41 0.98 -0.35 0.02 0.00 0.00 175.26 175.74 1yhq n PRO 45 N 0.01 -0.41 -1.65 0.39 -0.04 -1.26 -4.99 135.00 127.06 1yhq n PRO 45 Ca 0.05 -0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.14 1yhq n PRO 45 Cb 0.46 -2.26 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1yhq n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yhq s LEU 46 N -5.34 3.19 0.00 1.53 1.43 -1.26 -5.01 118.68 113.23 1yhq s LEU 46 Ca 0.65 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1yhq s LEU 46 Cb -0.23 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.49 1yhq s LEU 46 CO 0.60 -1.41 0.00 0.61 0.23 0.00 0.00 176.35 176.38 1yhq n GLY 47 N -1.79 3.03 3.93 -3.19 0.00 -1.26 -5.10 105.19 100.81 1yhq n GLY 47 Ca 0.08 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 1yhq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhq s LYS 48 N -2.31 3.13 -0.29 1.61 1.02 -1.26 -5.12 119.74 116.52 1yhq s LYS 48 Ca 0.00 -0.97 -0.15 0.00 0.02 0.00 0.00 55.97 54.86 1yhq s LYS 48 Cb 0.00 -2.74 0.12 0.00 -0.52 0.00 0.00 37.83 34.70 1yhq s LYS 48 CO 0.00 0.28 0.85 0.45 -0.92 0.00 0.00 175.35 176.01 1yhq s SER 49 N -4.00 -0.71 0.60 2.83 0.15 -1.26 -5.15 113.70 106.16 1yhq s SER 49 Ca 0.38 1.11 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1yhq s SER 49 Cb -0.08 1.40 0.00 0.00 -1.71 0.00 0.00 66.02 65.62 1yhq s SER 49 CO 0.28 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1yhq n GLY 50 N 4.17 -0.52 3.60 9.45 0.00 -1.26 -5.01 105.19 115.62 1yhq n GLY 50 Ca -0.18 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 1yhq n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yhq s PHE 51 N 0.00 0.39 -0.00 1.61 -0.12 -1.26 -5.17 117.98 113.43 1yhq s PHE 51 Ca 0.00 -0.76 0.06 0.00 -0.05 0.00 0.00 56.93 56.18 1yhq s PHE 51 Cb 0.00 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1yhq s PHE 51 CO 0.00 -1.03 -0.19 0.15 -0.05 0.00 0.00 175.22 174.11 1yhq s LYS 52 N -3.89 1.44 0.25 1.99 1.02 -1.26 -5.13 119.74 114.15 1yhq s LYS 52 Ca 0.23 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 1yhq s LYS 52 Cb -0.01 -1.43 -0.08 0.00 -0.52 0.00 0.00 37.83 35.80 1yhq s LYS 52 CO 0.10 0.38 0.60 1.03 -0.92 0.00 0.00 175.35 176.54 1yhq s ARG 53 N -0.61 3.87 0.30 1.68 0.52 -1.26 -5.01 118.95 118.43 1yhq s ARG 53 Ca 0.07 0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 55.38 1yhq s ARG 53 Cb -0.07 -2.61 -0.12 0.00 0.52 0.00 0.00 34.95 32.66 1yhq s ARG 53 CO -0.00 0.29 1.52 -0.35 0.02 0.00 0.00 175.30 176.78 1yhq n PRO 54 N -0.12 2.51 -0.29 3.54 -0.04 -1.26 -4.87 135.00 134.47 1yhq n PRO 54 Ca 0.01 0.89 0.30 0.00 -0.04 0.00 0.00 63.50 64.66 1yhq n PRO 54 Cb 0.53 -2.63 0.67 0.00 -0.04 0.00 0.00 33.50 32.02 1yhq n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1yhq h GLN 55 N 4.28 0.13 -0.75 0.54 4.20 -1.97 -0.12 115.11 121.43 1yhq h GLN 55 Ca -0.47 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1yhq h GLN 55 Cb 1.24 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1yhq h GLN 55 CO 0.75 0.09 0.00 0.36 -0.67 0.00 0.00 178.83 179.36 1yhq n LYS 56 N -4.35 3.07 0.00 1.46 2.85 -1.26 -3.03 118.16 116.91 1yhq n LYS 56 Ca 0.24 -1.71 0.00 0.00 -1.05 0.00 0.00 58.31 55.80 1yhq n LYS 56 Cb 1.07 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 1yhq n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yhq n VAL 57 N 0.36 0.20 -3.68 0.58 0.31 -0.06 -5.04 118.33 111.00 1yhq n VAL 57 Ca 0.15 -0.47 -0.35 0.00 -0.01 0.00 0.00 64.34 63.66 1yhq n VAL 57 Cb 0.75 1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 34.71 1yhq n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1yhq s GLN 58 N -0.20 3.66 -0.06 5.55 -0.21 -1.17 -5.00 119.66 122.24 1yhq s GLN 58 Ca 0.00 0.06 0.02 0.00 0.02 0.00 0.00 55.36 55.46 1yhq s GLN 58 Cb 0.00 -3.08 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 1yhq s GLN 58 CO 0.00 0.64 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.49 1yhq s GLU 59 N -1.66 2.62 -0.27 2.91 2.02 -1.26 -5.06 118.70 118.00 1yhq s GLU 59 Ca 0.28 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1yhq s GLU 59 Cb -0.14 -2.48 0.06 0.00 0.10 0.00 0.00 34.13 31.67 1yhq s GLU 59 CO 0.15 0.64 -0.08 -2.00 0.02 0.00 0.00 175.26 174.00 1yhq s GLU 60 N -0.77 2.26 0.18 1.61 2.12 -1.26 -5.01 118.70 117.82 1yhq s GLU 60 Ca 0.12 -1.35 -0.19 0.00 0.36 0.00 0.00 54.97 53.91 1yhq s GLU 60 Cb -0.11 -2.96 -0.08 0.00 0.26 0.00 0.00 34.13 31.24 1yhq s GLU 60 CO 0.01 -0.59 0.68 0.00 -0.54 0.00 0.00 175.26 174.82 1yhq s ALA 61 N 1.13 3.47 -0.31 6.30 0.00 -1.26 -0.84 121.76 130.24 1yhq s ALA 61 Ca -0.08 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1yhq s ALA 61 Cb -0.20 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1yhq s ALA 61 CO -0.04 0.35 0.41 0.00 0.00 0.00 0.00 175.76 176.48 1yhq s ALA 62 N -1.41 3.52 0.30 0.00 0.00 0.74 -4.96 121.76 119.96 1yhq s ALA 62 Ca 0.39 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1yhq s ALA 62 Cb -0.18 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1yhq s ALA 62 CO 0.21 -0.94 0.12 0.95 0.00 0.00 0.00 175.76 176.10 1yhq s THR 63 N 2.14 3.42 -0.27 0.00 -4.23 -1.26 -0.71 115.64 114.73 1yhq s THR 63 Ca 0.15 -1.68 -0.24 0.00 -1.18 0.00 0.00 61.69 58.73 1yhq s THR 63 Cb -0.16 -3.02 0.08 0.00 1.34 0.00 0.00 72.50 70.74 1yhq s THR 63 CO 0.11 -0.26 0.79 -0.51 -0.54 0.00 0.00 174.62 174.21 1yhq s ILE 64 N -2.34 0.00 0.18 2.99 2.07 -1.00 -4.96 121.20 118.14 1yhq s ILE 64 Ca 0.35 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.45 1yhq s ILE 64 Cb -0.05 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.47 1yhq s ILE 64 CO 0.23 0.00 0.58 -1.81 -1.91 0.00 0.00 174.94 172.02 1yhq s ASP 65 N 0.42 6.81 0.43 4.50 1.01 -1.26 0.12 116.67 128.71 1yhq s ASP 65 Ca 0.00 1.10 0.20 0.00 0.71 0.00 0.00 52.55 54.56 1yhq s ASP 65 Cb -0.05 -2.30 1.15 0.00 1.01 0.00 0.00 42.92 42.74 1yhq s ASP 65 CO -0.02 0.05 1.84 -0.37 0.21 0.00 0.00 175.17 176.88 1yhq h VAL 66 N 2.62 0.61 -0.94 -1.27 -1.51 -1.16 0.01 116.25 114.62 1yhq h VAL 66 Ca -0.48 -0.12 0.13 0.00 -1.23 0.00 0.00 66.70 65.00 1yhq h VAL 66 Cb 1.19 0.24 -0.09 0.00 -2.13 0.00 0.00 31.29 30.50 1yhq h VAL 66 CO 0.66 0.06 0.56 -0.09 -1.23 0.00 0.00 177.57 177.53 1yhq h ARG 67 N 0.34 0.82 -0.19 5.19 2.43 -1.61 0.16 114.38 121.53 1yhq h ARG 67 Ca 0.50 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.57 1yhq h ARG 67 Cb 1.36 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1yhq h ARG 67 CO -0.18 0.54 -0.09 1.49 -1.51 0.00 0.00 179.97 180.22 1yhq h GLU 68 N 0.85 0.39 0.00 0.20 4.81 -1.27 -1.73 114.58 117.83 1yhq h GLU 68 Ca 0.48 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1yhq h GLU 68 Cb 0.56 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1yhq h GLU 68 CO -0.30 0.69 -0.01 0.82 -0.73 0.00 0.00 179.01 179.49 1yhq h ILE 69 N 0.08 0.99 -0.74 2.32 2.04 -1.34 -3.17 117.51 117.68 1yhq h ILE 69 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 1yhq h ILE 69 Cb 0.58 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1yhq h ILE 69 CO 0.03 0.00 0.29 -0.78 0.00 0.00 0.00 178.15 177.68 1yhq h ASP 70 N -0.01 1.02 0.72 1.72 3.58 -0.70 -2.77 116.42 119.98 1yhq h ASP 70 Ca 0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1yhq h ASP 70 Cb 0.01 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1yhq h ASP 70 CO -0.00 0.92 0.00 -0.33 -2.88 0.00 0.00 179.24 176.94 1yhq h GLU 71 N 1.08 0.00 -0.03 0.28 5.08 -1.29 -3.14 114.58 116.57 1yhq h GLU 71 Ca 0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1yhq h GLU 71 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1yhq h GLU 71 CO -0.02 0.00 -0.19 0.09 -1.00 0.00 0.00 179.01 177.90 1yhq n ASN 72 N -2.62 2.19 0.31 1.42 3.02 -1.06 -4.82 115.26 113.70 1yhq n ASN 72 Ca 0.01 -3.41 -0.17 0.00 -0.03 0.00 0.00 54.58 50.97 1yhq n ASN 72 Cb 0.23 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 38.83 1yhq n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1yhq h VAL 73 N 0.48 0.18 -0.47 2.41 -1.51 -1.48 -0.11 116.25 115.75 1yhq h VAL 73 Ca 0.01 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.49 1yhq h VAL 73 Cb 1.05 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 30.36 1yhq h VAL 73 CO 0.03 0.00 0.29 0.71 -1.23 0.00 0.00 177.57 177.37 1yhq h THR 74 N -0.93 1.08 -0.53 7.19 1.35 -1.87 -1.86 112.91 117.34 1yhq h THR 74 Ca -0.06 -0.20 0.09 0.00 -0.55 0.00 0.00 66.41 65.68 1yhq h THR 74 Cb 0.78 0.43 -0.03 0.00 -1.73 0.00 0.00 68.15 67.60 1yhq h THR 74 CO 0.02 0.11 0.36 -0.07 -0.25 0.00 0.00 175.52 175.68 1yhq h LEU 75 N 0.59 0.32 -4.54 3.87 3.38 -1.86 -2.49 115.31 114.58 1yhq h LEU 75 Ca 0.18 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.72 1yhq h LEU 75 Cb -0.02 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 1yhq h LEU 75 CO -0.07 0.20 0.80 0.18 0.09 0.00 0.00 178.44 179.64 1yhq n LEU 76 N -4.47 6.51 0.12 1.67 4.77 -0.07 -4.62 117.00 120.91 1yhq n LEU 76 Ca 0.08 -3.88 0.15 0.00 -0.03 0.00 0.00 56.01 52.33 1yhq n LEU 76 Cb 0.34 -1.36 0.68 0.00 -2.33 0.00 0.00 43.42 40.75 1yhq n LEU 76 CO 0.34 1.81 1.13 0.00 -1.33 0.00 0.00 177.39 179.35 1yhq h ALA 77 N 3.46 2.25 0.00 -1.18 0.00 -1.58 -2.40 119.26 119.80 1yhq h ALA 77 Ca 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1yhq h ALA 77 Cb 0.91 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yhq h ALA 77 CO 0.83 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1yhq n ALA 78 N -2.58 3.25 -3.31 0.00 0.00 -1.26 -4.63 120.51 111.98 1yhq n ALA 78 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1yhq n ALA 78 Cb 0.37 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1yhq n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yhq s ASP 79 N 1.53 -0.27 0.00 0.00 1.01 -0.91 -5.14 116.67 112.90 1yhq s ASP 79 Ca 0.00 0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.72 1yhq s ASP 79 Cb 0.00 1.45 0.00 0.00 1.01 0.00 0.00 42.92 45.38 1yhq s ASP 79 CO 0.00 -0.28 0.00 0.47 0.21 0.00 0.00 175.17 175.57 1yhq n ASP 80 N 5.39 0.00 -3.69 0.27 9.92 -1.24 -4.65 116.55 122.54 1yhq n ASP 80 Ca -0.03 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.95 1yhq n ASP 80 Cb 0.50 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.87 1yhq n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1yhq s VAL 81 N 0.00 1.74 0.00 2.53 1.01 -1.26 -2.28 120.40 122.13 1yhq s VAL 81 Ca 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 61.98 58.55 1yhq s VAL 81 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1yhq s VAL 81 CO 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 175.10 174.03 1yhq n ALA 82 N 2.52 0.00 0.16 5.51 0.00 -1.26 -4.97 120.51 122.47 1yhq n ALA 82 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1yhq n ALA 82 Cb 0.40 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.00 1yhq n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yhq n GLU 83 N 0.00 0.05 -3.69 0.00 0.28 -1.26 -4.98 120.64 111.04 1yhq n GLU 83 Ca 0.00 0.50 -0.20 0.00 -0.16 0.00 0.00 57.16 57.30 1yhq n GLU 83 Cb 0.00 -2.19 -0.02 0.00 1.43 0.00 0.00 31.44 30.66 1yhq n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1yhq s PHE 89 N -3.10 3.07 -0.24 -1.84 0.40 0.76 -5.11 117.98 111.92 1yhq s PHE 89 Ca -0.01 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1yhq s PHE 89 Cb 0.02 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.76 1yhq s PHE 89 CO 0.05 0.14 -0.10 0.50 0.70 0.00 0.00 175.22 176.52 1yhq s ARG 90 N -4.07 2.06 -0.05 0.44 3.52 -0.97 -0.32 118.95 119.56 1yhq s ARG 90 Ca 0.42 -1.12 0.04 0.00 -0.13 0.00 0.00 55.73 54.93 1yhq s ARG 90 Cb -0.08 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 1yhq s ARG 90 CO 0.29 -0.53 -0.16 0.54 -0.81 0.00 0.00 175.30 174.62 1yhq s VAL 91 N 1.25 1.36 -0.49 7.11 0.11 -0.38 -3.69 120.40 125.67 1yhq s VAL 91 Ca -0.06 -0.65 -0.22 0.00 -2.93 0.00 0.00 61.98 58.12 1yhq s VAL 91 Cb -0.19 -1.18 0.04 0.00 -1.53 0.00 0.00 36.38 33.52 1yhq s VAL 91 CO -0.06 0.40 0.76 -0.62 -3.33 0.00 0.00 175.10 172.24 1yhq s ASP 92 N 0.22 6.32 0.30 3.54 -1.08 -1.26 -1.94 116.67 122.78 1yhq s ASP 92 Ca -0.07 -0.45 0.06 0.00 -0.52 0.00 0.00 52.55 51.57 1yhq s ASP 92 Cb -0.13 -2.36 0.79 0.00 -1.46 0.00 0.00 42.92 39.76 1yhq s ASP 92 CO 0.03 -0.97 1.73 0.58 0.52 0.00 0.00 175.17 177.06 1yhq h VAL 93 N 5.94 0.55 -0.88 1.11 2.07 -1.52 0.54 116.25 124.05 1yhq h VAL 93 Ca -0.26 -0.19 0.24 0.00 0.82 0.00 0.00 66.70 67.32 1yhq h VAL 93 Cb 1.09 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1yhq h VAL 93 CO 0.98 0.10 0.62 0.03 0.02 0.00 0.00 177.57 179.32 1yhq h ARG 94 N 0.54 0.11 -0.40 1.57 3.08 -1.92 0.68 114.38 118.04 1yhq h ARG 94 Ca 0.59 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.64 1yhq h ARG 94 Cb 1.09 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1yhq h ARG 94 CO -0.47 0.07 0.00 -0.25 -1.07 0.00 0.00 179.97 178.25 1yhq n ASP 95 N -4.34 1.96 -0.01 7.04 8.00 0.18 -4.24 116.55 125.14 1yhq n ASP 95 Ca 0.18 -2.06 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 1yhq n ASP 95 Cb 0.88 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1yhq n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1yhq n VAL 96 N 0.43 0.06 -2.16 2.53 0.31 0.23 -5.04 118.33 114.70 1yhq n VAL 96 Ca 0.11 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 1yhq n VAL 96 Cb 0.34 -1.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 1yhq n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1yhq s VAL 97 N -2.02 3.38 0.84 2.52 1.01 -0.88 -5.02 120.40 120.23 1yhq s VAL 97 Ca -0.02 0.93 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 1yhq s VAL 97 Cb 0.01 -3.60 0.10 0.00 0.00 0.00 0.00 36.38 32.88 1yhq s VAL 97 CO 0.02 0.05 1.11 -1.61 0.00 0.00 0.00 175.10 174.67 1yhq s GLU 98 N 1.54 1.69 -1.72 2.72 2.02 -1.26 -3.31 118.70 120.38 1yhq s GLU 98 Ca 0.65 0.54 0.00 0.00 0.02 0.00 0.00 54.97 56.19 1yhq s GLU 98 Cb -0.36 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1yhq s GLU 98 CO 0.29 -1.87 0.00 0.39 0.02 0.00 0.00 175.26 174.09 1yhq n GLU 99 N -3.59 -1.65 -0.14 1.61 1.02 -1.26 -4.82 120.64 111.82 1yhq n GLU 99 Ca 0.07 0.97 0.07 0.00 -0.02 0.00 0.00 57.16 58.25 1yhq n GLU 99 Cb 0.57 -5.48 0.23 0.00 -0.02 0.00 0.00 31.44 26.74 1yhq n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yhq n ALA 100 N -0.67 2.47 -0.05 0.62 0.00 -1.21 -4.05 120.51 117.63 1yhq n ALA 100 Ca -0.20 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 1yhq n ALA 100 Cb 0.63 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1yhq n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yhq n ASP 101 N 0.41 1.06 -1.04 0.00 8.00 -1.26 -4.38 116.55 119.35 1yhq n ASP 101 Ca 0.13 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1yhq n ASP 101 Cb 0.30 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.75 1yhq n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1yhq n ASP 102 N -3.58 1.90 -4.45 -2.24 5.75 -1.26 -4.69 116.55 107.98 1yhq n ASP 102 Ca -0.07 -1.25 -0.30 0.00 -0.01 0.00 0.00 54.79 53.16 1yhq n ASP 102 Cb 0.27 -0.33 -0.12 0.00 -1.03 0.00 0.00 41.12 39.91 1yhq n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yhq s ALA 103 N 0.42 2.56 0.01 2.12 0.00 -1.26 -4.98 121.76 120.64 1yhq s ALA 103 Ca 0.00 -1.33 0.17 0.00 0.00 0.00 0.00 51.96 50.80 1yhq s ALA 103 Cb 0.00 -0.61 0.37 0.00 0.00 0.00 0.00 23.12 22.89 1yhq s ALA 103 CO 0.00 0.57 1.59 0.22 0.00 0.00 0.00 175.76 178.14 1yhq h ASP 104 N 4.06 0.00 -4.31 0.00 1.82 -1.27 -3.48 116.42 113.25 1yhq h ASP 104 Ca -0.49 0.00 0.26 0.00 -0.39 0.00 0.00 57.03 56.41 1yhq h ASP 104 Cb 1.16 0.00 -0.19 0.00 0.68 0.00 0.00 39.33 40.99 1yhq h ASP 104 CO 0.45 0.45 0.81 -0.72 -1.61 0.00 0.00 179.24 178.62 1yhq s TYR 105 N -3.26 -0.12 -0.18 0.28 -0.85 -1.26 -5.03 117.35 106.93 1yhq s TYR 105 Ca 0.02 0.07 -0.07 0.00 -0.52 0.00 0.00 57.07 56.57 1yhq s TYR 105 Cb 0.09 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 1yhq s TYR 105 CO 0.71 -0.21 0.06 0.08 -1.52 0.00 0.00 175.55 174.67 1yhq s VAL 106 N -2.42 4.73 -0.04 -3.49 1.01 -1.26 -0.18 120.40 118.74 1yhq s VAL 106 Ca 0.10 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1yhq s VAL 106 Cb -0.01 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1yhq s VAL 106 CO -0.05 0.46 -0.17 -0.75 0.00 0.00 0.00 175.10 174.59 1yhq s LYS 107 N 0.41 1.76 -0.23 2.72 2.20 0.11 -1.92 119.74 124.78 1yhq s LYS 107 Ca 0.03 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 54.92 1yhq s LYS 107 Cb -0.13 -1.53 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 1yhq s LYS 107 CO 0.00 0.25 0.21 0.08 -0.36 0.00 0.00 175.35 175.53 1yhq s VAL 108 N 0.03 5.33 0.22 4.02 1.01 -0.12 -2.37 120.40 128.52 1yhq s VAL 108 Ca -0.03 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1yhq s VAL 108 Cb -0.11 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1yhq s VAL 108 CO 0.02 0.33 0.27 -0.76 0.00 0.00 0.00 175.10 174.96 1yhq s LEU 109 N 1.10 4.10 -0.87 3.92 1.43 0.12 -2.25 118.68 126.22 1yhq s LEU 109 Ca 0.10 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1yhq s LEU 109 Cb -0.14 -2.65 0.34 0.00 0.03 0.00 0.00 46.19 43.78 1yhq s LEU 109 CO 0.05 -0.03 1.86 0.61 0.23 0.00 0.00 176.35 179.07 1yhq n GLY 110 N -1.10 5.77 3.72 -3.19 0.00 -1.26 -0.94 105.19 108.19 1yhq n GLY 110 Ca -0.08 -2.55 -0.36 0.00 0.00 0.00 0.00 46.02 43.03 1yhq n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq s ALA 111 N -4.11 3.64 0.00 4.61 0.00 -1.26 -4.70 121.76 119.93 1yhq s ALA 111 Ca 0.47 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1yhq s ALA 111 Cb 0.34 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1yhq s ALA 111 CO -0.29 0.09 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1yhq n GLY 112 N 3.54 -1.81 3.70 0.00 0.00 -1.26 -2.12 105.19 107.24 1yhq n GLY 112 Ca -0.14 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 1yhq n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yhq s GLN 113 N 0.00 2.33 -0.22 1.61 -0.21 -1.26 -4.83 119.66 117.08 1yhq s GLN 113 Ca 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 55.36 53.86 1yhq s GLN 113 Cb 0.00 -2.15 0.06 0.00 1.00 0.00 0.00 33.01 31.91 1yhq s GLN 113 CO 0.00 0.19 -0.05 0.08 -2.12 0.00 0.00 175.29 173.39 1yhq s VAL 114 N -2.40 1.38 -0.25 1.09 1.01 -1.26 -4.29 120.40 115.67 1yhq s VAL 114 Ca 0.35 -1.07 0.13 0.00 0.00 0.00 0.00 61.98 61.40 1yhq s VAL 114 Cb -0.03 -1.65 0.71 0.00 0.00 0.00 0.00 36.38 35.40 1yhq s VAL 114 CO 0.22 -0.07 1.67 0.54 0.00 0.00 0.00 175.10 177.45 1yhq n ARG 115 N 4.74 3.86 -4.03 2.72 1.74 -1.26 -4.80 116.66 119.62 1yhq n ARG 115 Ca -0.12 -3.06 -0.10 0.00 -0.77 0.00 0.00 57.85 53.80 1yhq n ARG 115 Cb 0.45 -2.12 -0.08 0.00 -1.02 0.00 0.00 32.46 29.69 1yhq n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yhq s HIS 116 N -2.89 0.56 -0.40 -1.55 3.76 -1.26 -5.11 115.29 108.40 1yhq s HIS 116 Ca 0.51 -0.93 -0.20 0.00 -0.15 0.00 0.00 55.06 54.29 1yhq s HIS 116 Cb 0.40 -0.21 0.01 0.00 1.11 0.00 0.00 32.58 33.90 1yhq s HIS 116 CO 0.12 -0.65 0.63 -1.83 -0.85 0.00 0.00 174.74 172.17 1yhq s GLU 117 N -4.00 3.44 0.02 1.40 -1.05 -1.25 -4.80 118.70 112.47 1yhq s GLU 117 Ca 0.20 -0.21 0.08 0.00 -0.15 0.00 0.00 54.97 54.89 1yhq s GLU 117 Cb 0.05 -3.89 -0.03 0.00 -0.44 0.00 0.00 34.13 29.82 1yhq s GLU 117 CO 0.01 -0.89 -0.24 -0.51 0.95 0.00 0.00 175.26 174.57 1yhq s LEU 118 N 2.76 2.23 -0.37 1.83 1.43 -1.26 -0.17 118.68 125.14 1yhq s LEU 118 Ca 0.23 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1yhq s LEU 118 Cb -0.14 -1.36 0.09 0.00 0.03 0.00 0.00 46.19 44.81 1yhq s LEU 118 CO 0.17 0.28 0.13 -0.89 0.23 0.00 0.00 176.35 176.28 1yhq s THR 119 N -0.76 3.25 -0.15 5.49 2.01 0.56 -1.12 115.64 124.92 1yhq s THR 119 Ca 0.12 -1.76 -0.08 0.00 0.31 0.00 0.00 61.69 60.27 1yhq s THR 119 Cb -0.10 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 1yhq s THR 119 CO 0.01 -0.47 0.12 -0.76 -0.69 0.00 0.00 174.62 172.84 1yhq s LEU 120 N 1.20 4.25 -0.27 4.42 1.43 -0.70 -1.25 118.68 127.76 1yhq s LEU 120 Ca 0.03 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.46 1yhq s LEU 120 Cb -0.22 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 43.99 1yhq s LEU 120 CO -0.03 0.30 -0.06 -0.63 0.23 0.00 0.00 176.35 176.17 1yhq s ILE 121 N -0.38 2.69 0.25 -0.59 1.01 -0.82 0.56 121.20 123.93 1yhq s ILE 121 Ca 0.11 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 1yhq s ILE 121 Cb -0.12 -2.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 1yhq s ILE 121 CO 0.01 0.05 0.30 0.00 0.00 0.00 0.00 174.94 175.31 1yhq s ALA 122 N 1.24 0.75 -0.47 9.38 0.00 -0.90 -1.16 121.76 130.60 1yhq s ALA 122 Ca -0.04 -1.46 0.23 0.00 0.00 0.00 0.00 51.96 50.70 1yhq s ALA 122 Cb -0.18 1.27 0.38 0.00 0.00 0.00 0.00 23.12 24.58 1yhq s ALA 122 CO -0.04 -0.71 1.58 -0.44 0.00 0.00 0.00 175.76 176.16 1yhq h ASP 123 N 2.38 0.00 -4.30 0.00 3.32 -1.70 -0.24 116.42 115.89 1yhq h ASP 123 Ca -0.31 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.83 1yhq h ASP 123 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.59 1yhq h ASP 123 CO 0.44 0.00 0.53 -0.62 -1.72 0.00 0.00 179.24 177.87 1yhq s ASP 124 N -5.86 -0.37 0.05 6.45 2.15 -1.02 -4.04 116.67 114.03 1yhq s ASP 124 Ca 0.07 0.28 0.01 0.00 0.43 0.00 0.00 52.55 53.34 1yhq s ASP 124 Cb 0.07 0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.98 1yhq s ASP 124 CO 0.67 -0.42 -0.06 -0.36 -0.17 0.00 0.00 175.17 174.83 1yhq s PHE 125 N -1.72 0.62 0.23 -5.34 0.40 -1.26 -0.94 117.98 109.97 1yhq s PHE 125 Ca 0.00 -0.70 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 1yhq s PHE 125 Cb -0.01 -0.39 -0.08 0.00 0.51 0.00 0.00 43.02 43.06 1yhq s PHE 125 CO -0.01 -0.17 0.60 -1.54 0.70 0.00 0.00 175.22 174.80 1yhq s SER 126 N -2.14 6.72 0.34 1.36 1.04 -0.96 -4.94 113.70 115.12 1yhq s SER 126 Ca -0.03 1.06 0.14 0.00 0.48 0.00 0.00 55.95 57.60 1yhq s SER 126 Cb -0.03 -2.28 1.04 0.00 0.10 0.00 0.00 66.02 64.85 1yhq s SER 126 CO -0.03 -0.06 1.68 -0.08 0.98 0.00 0.00 173.24 175.73 1yhq h GLU 127 N 2.72 0.38 -0.40 4.02 4.81 -2.01 0.26 114.58 124.38 1yhq h GLU 127 Ca -0.47 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 1yhq h GLU 127 Cb 1.18 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1yhq h GLU 127 CO 0.67 0.25 -0.23 0.78 -0.73 0.00 0.00 179.01 179.76 1yhq h GLY 128 N 0.39 0.86 1.17 1.92 0.00 -1.94 -2.38 103.07 103.10 1yhq h GLY 128 Ca 0.71 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 47.24 1yhq h GLY 128 CO -0.55 0.68 0.23 0.00 0.00 0.00 0.00 176.54 176.89 1yhq h ALA 129 N 1.05 1.11 0.53 3.60 0.00 -0.78 -2.58 119.26 122.18 1yhq h ALA 129 Ca 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1yhq h ALA 129 Cb 0.75 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1yhq h ALA 129 CO 0.06 0.62 -0.25 0.00 0.00 0.00 0.00 179.25 179.68 1yhq h ARG 130 N 1.01 -0.68 -0.95 0.00 3.08 -1.31 -1.92 114.38 113.62 1yhq h ARG 130 Ca 0.23 0.05 0.28 0.00 0.07 0.00 0.00 59.98 60.60 1yhq h ARG 130 Cb 0.27 0.15 -0.14 0.00 0.08 0.00 0.00 29.97 30.33 1yhq h ARG 130 CO -0.01 -0.37 0.42 0.93 -1.07 0.00 0.00 179.97 179.86 1yhq h GLU 131 N -0.99 0.28 -0.08 0.04 5.08 -1.37 -0.32 114.58 117.22 1yhq h GLU 131 Ca -0.07 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 1yhq h GLU 131 Cb 0.62 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1yhq h GLU 131 CO 0.12 0.18 -0.56 0.87 -1.00 0.00 0.00 179.01 178.62 1yhq h LYS 132 N 0.29 0.52 -0.64 2.33 1.57 -1.42 -1.10 116.57 118.12 1yhq h LYS 132 Ca 0.65 -0.46 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1yhq h LYS 132 Cb 1.39 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 1yhq h LYS 132 CO -0.62 1.09 0.04 0.28 -0.57 0.00 0.00 179.45 179.67 1yhq h VAL 133 N 0.11 1.27 0.00 0.50 2.07 -0.41 -2.27 116.25 117.52 1yhq h VAL 133 Ca -0.05 -1.11 -0.14 0.00 0.82 0.00 0.00 66.70 66.22 1yhq h VAL 133 Cb 1.22 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1yhq h VAL 133 CO 0.12 0.41 -0.66 -0.33 0.02 0.00 0.00 177.57 177.13 1yhq h GLU 134 N 1.01 0.00 -0.13 1.57 5.08 -1.19 0.25 114.58 121.16 1yhq h GLU 134 Ca 0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1yhq h GLU 134 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1yhq h GLU 134 CO 0.02 0.66 -0.22 0.78 -1.00 0.00 0.00 179.01 179.26 1yhq h GLY 135 N 2.69 0.24 -3.05 -3.84 0.00 -0.87 -1.29 103.07 96.96 1yhq h GLY 135 Ca -0.01 -0.17 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 1yhq h GLY 135 CO 0.09 0.16 0.28 0.00 0.00 0.00 0.00 176.54 177.06 1yhq n ALA 136 N -2.48 4.10 -3.35 3.60 0.00 -0.88 -4.86 120.51 116.64 1yhq n ALA 136 Ca -0.01 -1.62 -0.17 0.00 0.00 0.00 0.00 53.44 51.63 1yhq n ALA 136 Cb 0.33 -1.22 0.08 0.00 0.00 0.00 0.00 19.45 18.64 1yhq n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhq n GLY 137 N -0.23 -0.32 2.79 0.00 0.00 -0.49 -3.92 105.19 103.03 1yhq n GLY 137 Ca 0.31 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 1yhq n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 138 N -1.37 3.63 3.17 -0.02 0.00 0.87 -4.58 105.19 106.89 1yhq n GLY 138 Ca -0.17 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.46 1yhq n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yhq s SER 139 N -3.13 1.32 -0.17 1.61 1.04 -0.27 -3.97 113.70 110.13 1yhq s SER 139 Ca 0.04 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.58 1yhq s SER 139 Cb 0.00 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1yhq s SER 139 CO 0.03 -0.35 -0.13 -0.69 0.98 0.00 0.00 173.24 173.09 1yhq s VAL 140 N -2.94 1.60 -0.26 5.02 1.01 -1.26 -1.72 120.40 121.85 1yhq s VAL 140 Ca 0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1yhq s VAL 140 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1yhq s VAL 140 CO -0.02 0.35 0.07 -1.61 0.00 0.00 0.00 175.10 173.89 1yhq s GLU 141 N 1.45 3.46 -0.23 2.72 2.02 0.19 -4.97 118.70 123.35 1yhq s GLU 141 Ca 0.03 -0.60 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 1yhq s GLU 141 Cb -0.14 -3.32 -0.00 0.00 0.10 0.00 0.00 34.13 30.77 1yhq s GLU 141 CO -0.10 -0.27 0.86 -1.17 0.02 0.00 0.00 175.26 174.61 1yhq s LEU 142 N 1.57 4.10 1.18 1.80 2.96 -1.26 -2.11 118.68 126.92 1yhq s LEU 142 Ca 0.05 1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 54.93 1yhq s LEU 142 Cb -0.16 -3.25 0.24 0.00 0.50 0.00 0.00 46.19 43.52 1yhq s LEU 142 CO 0.03 -0.52 0.67 0.41 -1.32 0.00 0.00 176.35 175.62 1yhq n THR 143 N 5.16 0.00 -0.22 3.68 -1.04 -0.10 -4.78 114.28 116.98 1yhq n THR 143 Ca 0.06 -0.43 -0.08 0.00 -2.04 0.00 0.00 64.05 61.57 1yhq n THR 143 Cb 0.48 -0.87 0.03 0.00 -1.82 0.00 0.00 70.33 68.15 1yhq n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1yhq h ASP 144 N -2.55 0.91 -0.99 8.00 3.32 -1.96 -0.07 116.42 123.07 1yhq h ASP 144 Ca -0.60 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.27 1yhq h ASP 144 Cb 1.35 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 1yhq h ASP 144 CO 0.46 0.88 0.65 0.25 -1.72 0.00 0.00 179.24 179.76 1yhq h LEU 145 N 0.89 1.10 0.00 1.55 6.46 -1.94 0.34 115.31 123.72 1yhq h LEU 145 Ca 0.20 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1yhq h LEU 145 Cb 0.29 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1yhq h LEU 145 CO -0.01 0.76 0.08 0.61 -0.62 0.00 0.00 178.44 179.27 1yhq n GLY 146 N -1.37 -0.35 2.33 3.75 0.00 -0.06 -3.18 105.19 106.31 1yhq n GLY 146 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1yhq n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yhq n GLU 147 N -1.34 3.44 -0.31 1.61 1.02 0.12 -3.94 120.64 121.24 1yhq n GLU 147 Ca 0.00 -2.39 0.05 0.00 -0.02 0.00 0.00 57.16 54.80 1yhq n GLU 147 Cb 0.08 -2.48 0.07 0.00 -0.02 0.00 0.00 31.44 29.08 1yhq n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yhq n GLU 148 N 2.34 0.60 -3.48 3.49 1.02 -1.19 -4.97 120.64 118.45 1yhq n GLU 148 Ca 0.62 -1.76 -0.42 0.00 -0.02 0.00 0.00 57.16 55.58 1yhq n GLU 148 Cb 0.42 -0.97 -0.04 0.00 -0.02 0.00 0.00 31.44 30.83 1yhq n GLU 148 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1yhq s ARG 149 N -1.36 3.41 0.00 3.49 0.52 -1.25 -5.24 118.95 118.52 1yhq s ARG 149 Ca 0.15 -2.78 0.00 0.00 -0.52 0.00 0.00 55.73 52.58 1yhq s ARG 149 Cb 0.14 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.41 1yhq s ARG 149 CO 0.01 -1.25 0.00 0.94 0.02 0.00 0.00 175.30 175.02