#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx0 s HIS 2 N 0.00 3.28 -0.05 2.03 3.76 -1.26 -5.08 115.29 117.97 1yx0 s HIS 2 Ca 0.00 -1.69 0.06 0.00 -0.15 0.00 0.00 55.06 53.28 1yx0 s HIS 2 Cb 0.00 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1yx0 s HIS 2 CO 0.00 -0.78 -0.23 0.42 -0.85 0.00 0.00 174.74 173.30 1yx0 s ILE 3 N 1.32 2.25 0.28 0.60 -1.09 -1.26 -1.66 121.20 121.64 1yx0 s ILE 3 Ca -0.02 -1.01 -0.03 0.00 -2.23 0.00 0.00 60.65 57.36 1yx0 s ILE 3 Cb -0.20 -1.82 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1yx0 s ILE 3 CO 0.01 0.57 0.35 -0.54 -1.23 0.00 0.00 174.94 174.10 1yx0 s LYS 4 N -0.34 1.61 -0.19 2.79 1.02 -0.70 -4.98 119.74 118.94 1yx0 s LYS 4 Ca 0.02 -1.66 -0.06 0.00 0.02 0.00 0.00 55.97 54.29 1yx0 s LYS 4 Cb -0.12 0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1yx0 s LYS 4 CO 0.02 -0.62 0.04 0.42 -0.92 0.00 0.00 175.35 174.28 1yx0 s ILE 5 N -3.64 4.41 -0.11 2.17 1.01 -1.26 -0.63 121.20 123.16 1yx0 s ILE 5 Ca 0.33 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1yx0 s ILE 5 Cb 0.02 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1yx0 s ILE 5 CO 0.17 0.44 -0.17 -0.62 0.00 0.00 0.00 174.94 174.75 1yx0 s ASP 6 N 0.70 3.66 -0.33 3.58 -1.08 -0.49 -4.88 116.67 117.84 1yx0 s ASP 6 Ca 0.02 -0.40 0.03 0.00 -0.52 0.00 0.00 52.55 51.67 1yx0 s ASP 6 Cb -0.14 -1.44 0.10 0.00 -1.46 0.00 0.00 42.92 39.98 1yx0 s ASP 6 CO 0.02 0.18 0.05 -0.62 0.52 0.00 0.00 175.17 175.32 1yx0 s ASP 7 N 0.23 4.55 0.37 -0.34 -1.08 -1.26 -4.18 116.67 114.97 1yx0 s ASP 7 Ca -0.11 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 49.95 1yx0 s ASP 7 Cb -0.16 -1.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.86 1yx0 s ASP 7 CO 0.06 -0.37 0.00 0.18 0.52 0.00 0.00 175.17 175.56 1yx0 n LEU 8 N 4.41 -0.72 -1.26 -1.34 4.77 -1.26 -5.01 117.00 116.60 1yx0 n LEU 8 Ca 0.01 1.62 0.02 0.00 -0.03 0.00 0.00 56.01 57.63 1yx0 n LEU 8 Cb 0.42 -4.20 -0.01 0.00 -2.33 0.00 0.00 43.42 37.30 1yx0 n LEU 8 CO 0.19 -3.09 -0.41 1.07 -1.33 0.00 0.00 177.39 173.82 1yx0 n THR 9 N -3.97 -2.11 0.00 -5.08 5.66 -1.26 -5.08 114.28 102.44 1yx0 n THR 9 Ca -0.01 1.12 0.00 0.00 -3.05 0.00 0.00 64.05 62.10 1yx0 n THR 9 Cb 0.66 -1.84 0.00 0.00 -1.55 0.00 0.00 70.33 67.60 1yx0 n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1yx0 n GLY 10 N -2.64 1.14 0.33 1.09 0.00 -1.26 -4.71 105.19 99.14 1yx0 n GLY 10 Ca -0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1yx0 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yx0 h ARG 11 N 0.00 -0.66 -0.69 1.61 3.08 -1.97 1.21 114.38 116.96 1yx0 h ARG 11 Ca 0.00 0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.22 1yx0 h ARG 11 Cb 0.00 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1yx0 h ARG 11 CO 0.00 -0.44 0.46 1.96 -1.07 0.00 0.00 179.97 180.88 1yx0 h GLN 12 N -0.68 0.41 -0.03 0.04 7.50 -1.98 0.78 115.11 121.14 1yx0 h GLN 12 Ca -0.03 -0.02 -0.12 0.00 0.50 0.00 0.00 58.65 58.98 1yx0 h GLN 12 Cb 0.59 -0.09 0.01 0.00 0.05 0.00 0.00 27.48 28.04 1yx0 h GLN 12 CO -0.01 0.27 -0.44 0.28 -1.50 0.00 0.00 178.83 177.43 1yx0 h VAL 13 N 0.42 1.44 0.27 -0.54 2.07 -1.64 -2.34 116.25 115.94 1yx0 h VAL 13 Ca 0.33 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1yx0 h VAL 13 Cb 0.71 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1yx0 h VAL 13 CO -0.10 0.55 -0.13 0.58 0.02 0.00 0.00 177.57 178.49 1yx0 h VAL 14 N -0.18 0.75 -0.46 2.57 2.07 0.29 0.72 116.25 122.02 1yx0 h VAL 14 Ca -0.05 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.46 1yx0 h VAL 14 Cb 1.13 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 1yx0 h VAL 14 CO 0.09 0.02 -0.12 0.77 0.02 0.00 0.00 177.57 178.35 1yx0 h SER 15 N -0.42 -0.45 -0.22 0.57 4.64 0.42 0.82 113.55 118.90 1yx0 h SER 15 Ca -0.04 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 1yx0 h SER 15 Cb 0.32 0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1yx0 h SER 15 CO 0.06 -0.16 0.08 -0.07 -0.87 0.00 0.00 176.83 175.88 1yx0 h LEU 16 N -0.01 0.31 -1.53 5.97 -0.00 -1.17 0.22 115.31 119.09 1yx0 h LEU 16 Ca 0.22 -0.17 0.11 0.00 -0.00 0.00 0.00 57.88 58.03 1yx0 h LEU 16 Cb 0.35 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 40.88 1yx0 h LEU 16 CO -0.48 0.39 0.46 0.58 -0.00 0.00 0.00 178.44 179.40 1yx0 h VAL 17 N 0.20 0.90 -0.10 1.22 2.07 0.19 -0.59 116.25 120.14 1yx0 h VAL 17 Ca 0.07 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 1yx0 h VAL 17 Cb 0.19 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1yx0 h VAL 17 CO -0.01 0.10 -0.47 0.78 0.02 0.00 0.00 177.57 177.99 1yx0 h ASN 18 N 0.52 0.58 -4.32 0.57 2.35 0.13 -3.50 115.58 111.91 1yx0 h ASN 18 Ca 0.32 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1yx0 h ASN 18 Cb 0.56 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1yx0 h ASN 18 CO -0.11 1.13 -0.92 1.21 -1.65 0.00 0.00 177.43 177.09 1yx0 n GLU 19 N -4.27 -5.21 -0.07 0.81 4.07 0.70 -4.63 120.64 112.04 1yx0 n GLU 19 Ca -0.08 3.73 -0.14 0.00 -0.06 0.00 0.00 57.16 60.62 1yx0 n GLU 19 Cb 0.58 -4.05 -0.14 0.00 -0.06 0.00 0.00 31.44 27.77 1yx0 n GLU 19 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1yx0 n HIS 20 N 1.14 0.46 0.16 4.31 8.25 -1.26 -3.79 115.22 124.49 1yx0 n HIS 20 Ca 0.00 0.13 -0.14 0.00 -0.26 0.00 0.00 57.72 57.45 1yx0 n HIS 20 Cb 0.00 -1.07 -0.07 0.00 1.12 0.00 0.00 29.99 29.97 1yx0 n HIS 20 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yx0 h LEU 21 N 0.01 -1.02 -6.75 2.41 4.07 -1.94 -3.23 115.31 108.86 1yx0 h LEU 21 Ca -0.47 0.10 -0.66 0.00 0.08 0.00 0.00 57.88 56.93 1yx0 h LEU 21 Cb 2.07 0.37 -0.38 0.00 1.08 0.00 0.00 40.66 43.80 1yx0 h LEU 21 CO 0.02 -0.47 -0.25 1.57 -1.08 0.00 0.00 178.44 178.24 1yx0 n HIS 22 N -5.45 3.52 -2.04 1.13 -0.00 -1.26 -5.01 115.22 106.11 1yx0 n HIS 22 Ca -0.08 -3.94 -0.27 0.00 -0.00 0.00 0.00 57.72 53.43 1yx0 n HIS 22 Cb 0.36 -0.82 -0.05 0.00 -0.00 0.00 0.00 29.99 29.47 1yx0 n HIS 22 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1yx0 s SER 23 N -1.62 5.07 0.00 0.26 1.04 -1.22 -4.75 113.70 112.48 1yx0 s SER 23 Ca 0.33 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1yx0 s SER 23 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1yx0 s SER 23 CO -0.05 -2.89 0.00 0.80 0.98 0.00 0.00 173.24 172.08 1yx0 n MET 24 N 8.68 0.00 -4.73 4.02 1.56 -1.26 -5.11 117.12 120.27 1yx0 n MET 24 Ca 0.42 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.52 1yx0 n MET 24 Cb 0.47 0.00 -0.15 0.00 2.15 0.00 0.00 33.22 35.68 1yx0 n MET 24 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1yx0 s THR 25 N -0.16 2.63 0.46 1.12 -1.32 -1.26 -5.12 115.64 111.99 1yx0 s THR 25 Ca 0.00 -0.80 0.05 0.00 -1.21 0.00 0.00 61.69 59.73 1yx0 s THR 25 Cb 0.00 -2.09 -0.04 0.00 -1.51 0.00 0.00 72.50 68.86 1yx0 s THR 25 CO 0.00 0.53 0.10 -1.48 -2.21 0.00 0.00 174.62 171.56 1yx0 s LEU 26 N 0.60 2.74 -0.08 9.08 0.05 -1.26 -5.15 118.68 124.66 1yx0 s LEU 26 Ca -0.09 -1.36 -0.32 0.00 0.05 0.00 0.00 54.13 52.40 1yx0 s LEU 26 Cb -0.16 -1.03 0.14 0.00 -2.05 0.00 0.00 46.19 43.08 1yx0 s LEU 26 CO 0.03 -0.68 1.35 -0.04 -0.55 0.00 0.00 176.35 176.46 1yx0 s MET 27 N -3.89 0.21 0.96 1.48 -1.94 -1.26 -5.09 119.30 109.78 1yx0 s MET 27 Ca 0.28 -0.11 -0.16 0.00 -1.71 0.00 0.00 55.69 53.98 1yx0 s MET 27 Cb 0.04 0.07 -0.13 0.00 2.01 0.00 0.00 34.83 36.83 1yx0 s MET 27 CO 0.15 -0.09 -0.60 0.43 -0.01 0.00 0.00 175.02 174.89 1yx0 n SER 28 N -0.43 -5.37 -4.63 3.03 7.64 -1.26 -4.78 113.62 107.81 1yx0 n SER 28 Ca -0.07 0.23 -0.43 0.00 1.01 0.00 0.00 58.87 59.61 1yx0 n SER 28 Cb 0.62 -0.83 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1yx0 n SER 28 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1yx0 s PRO 29 N -2.16 3.88 0.99 1.43 0.04 -1.26 -5.01 135.00 132.91 1yx0 s PRO 29 Ca 0.43 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1yx0 s PRO 29 Cb -0.20 -3.91 0.19 0.00 0.04 0.00 0.00 34.50 30.62 1yx0 s PRO 29 CO 0.80 -1.17 1.18 -1.25 0.04 0.00 0.00 177.00 176.60 1yx0 s PRO 30 N 4.27 0.45 0.00 0.56 0.04 -1.26 -5.09 135.00 133.97 1yx0 s PRO 30 Ca 0.58 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1yx0 s PRO 30 Cb -0.17 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1yx0 s PRO 30 CO 0.24 -2.61 0.00 -0.85 0.04 0.00 0.00 177.00 173.82 1yx0 n GLU 31 N -4.00 0.28 -1.10 4.56 0.28 -1.26 -5.12 120.64 114.27 1yx0 n GLU 31 Ca 0.10 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.23 1yx0 n GLU 31 Cb 0.59 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.42 1yx0 n GLU 31 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1yx0 n SER 32 N 0.00 -5.92 -4.56 -1.84 7.64 -1.26 -4.24 113.62 103.44 1yx0 n SER 32 Ca 0.00 0.61 -0.43 0.00 1.01 0.00 0.00 58.87 60.06 1yx0 n SER 32 Cb 0.00 -3.53 -0.04 0.00 -1.01 0.00 0.00 64.21 59.63 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1yx0 s ILE 33 N -2.80 4.45 -0.12 0.44 1.10 -1.26 -4.50 121.20 118.50 1yx0 s ILE 33 Ca 0.00 0.70 -0.02 0.00 -0.51 0.00 0.00 60.65 60.82 1yx0 s ILE 33 Cb 0.00 -4.45 0.01 0.00 0.15 0.00 0.00 42.46 38.16 1yx0 s ILE 33 CO 0.00 -0.88 0.04 0.00 -2.11 0.00 0.00 174.94 171.99 1yx0 n HIS 34 N 7.23 -1.97 -3.61 3.50 1.44 -1.26 -5.04 115.22 115.52 1yx0 n HIS 34 Ca 0.06 0.98 -0.01 0.00 -2.01 0.00 0.00 57.72 56.73 1yx0 n HIS 34 Cb 0.48 -2.40 -0.06 0.00 0.12 0.00 0.00 29.99 28.13 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yx0 s ALA 35 N -0.95 -2.41 0.00 1.59 0.00 -1.26 -5.15 121.76 113.59 1yx0 s ALA 35 Ca -0.05 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1yx0 s ALA 35 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1yx0 s ALA 35 CO 0.37 -0.43 0.00 -0.11 0.00 0.00 0.00 175.76 175.60 1yx0 n LEU 36 N 3.77 0.00 -2.78 0.00 7.94 -1.26 -4.43 117.00 120.25 1yx0 n LEU 36 Ca -0.17 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.71 1yx0 n LEU 36 Cb 0.57 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.58 1yx0 n LEU 36 CO 0.02 0.00 0.10 0.61 -1.11 0.00 0.00 177.39 177.01 1yx0 n GLY 37 N 5.00 1.76 0.43 -3.96 0.00 -1.26 -4.90 105.19 102.27 1yx0 n GLY 37 Ca 0.00 -0.91 0.25 0.00 0.00 0.00 0.00 46.02 45.36 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yx0 h LEU 38 N 2.38 0.08 -5.37 0.99 4.07 -2.01 -1.27 115.31 114.19 1yx0 h LEU 38 Ca -0.19 0.01 -0.69 0.00 0.08 0.00 0.00 57.88 57.09 1yx0 h LEU 38 Cb 1.26 -0.01 -0.18 0.00 1.08 0.00 0.00 40.66 42.81 1yx0 h LEU 38 CO 0.16 0.03 1.43 1.21 -1.08 0.00 0.00 178.44 180.19 1yx0 n GLU 39 N -4.34 3.93 0.00 1.13 2.13 -1.26 -4.17 120.64 118.05 1yx0 n GLU 39 Ca 0.17 -3.38 0.00 0.00 0.66 0.00 0.00 57.16 54.61 1yx0 n GLU 39 Cb 0.83 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yx0 n LYS 40 N 0.89 0.00 -0.24 5.31 4.76 -0.48 -4.80 118.16 123.60 1yx0 n LYS 40 Ca 0.55 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 56.08 1yx0 n LYS 40 Cb 0.33 0.00 0.36 0.00 -1.84 0.00 0.00 35.03 33.88 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1yx0 h LEU 41 N 0.00 0.68 -5.45 -0.35 -0.00 -1.77 -1.99 115.31 106.43 1yx0 h LEU 41 Ca 0.00 0.02 -0.71 0.00 -0.00 0.00 0.00 57.88 57.19 1yx0 h LEU 41 Cb 0.00 -0.12 -0.21 0.00 -0.00 0.00 0.00 40.66 40.34 1yx0 h LEU 41 CO 0.00 0.39 1.31 0.54 -0.00 0.00 0.00 178.44 180.68 1yx0 n ARG 42 N -4.52 4.00 -3.94 1.13 1.74 -1.26 -4.76 116.66 109.04 1yx0 n ARG 42 Ca 0.14 -3.58 -0.11 0.00 -0.77 0.00 0.00 57.85 53.53 1yx0 n ARG 42 Cb 0.35 -2.41 -0.01 0.00 -1.02 0.00 0.00 32.46 29.38 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1yx0 s GLY 43 N -0.42 0.82 0.10 -0.13 0.00 -0.75 -4.88 107.32 102.07 1yx0 s GLY 43 Ca 0.50 -1.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 1yx0 s GLY 43 CO -0.20 -0.61 1.27 -0.56 0.00 0.00 0.00 173.10 173.00 1yx0 h PRO 44 N 2.07 0.64 -0.90 2.90 0.13 -1.91 -3.23 132.00 131.69 1yx0 h PRO 44 Ca -0.29 -0.62 0.24 0.00 -0.87 0.00 0.00 66.00 64.46 1yx0 h PRO 44 Cb 1.25 0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.40 1yx0 h PRO 44 CO 0.38 1.23 0.33 1.49 -0.23 0.00 0.00 178.00 181.20 1yx0 h GLU 45 N 0.39 0.28 -6.20 0.86 4.81 -1.96 -3.39 114.58 109.36 1yx0 h GLU 45 Ca -0.09 -0.02 -0.58 0.00 -0.13 0.00 0.00 59.36 58.55 1yx0 h GLU 45 Cb 1.56 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.80 1yx0 h GLU 45 CO 0.18 0.18 -0.57 0.42 -0.73 0.00 0.00 179.01 178.49 1yx0 s ILE 46 N -5.88 4.47 -0.01 2.32 1.01 -1.22 -4.87 121.20 117.00 1yx0 s ILE 46 Ca -0.12 -1.08 0.04 0.00 0.00 0.00 0.00 60.65 59.49 1yx0 s ILE 46 Cb 0.26 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1yx0 s ILE 46 CO 0.78 -0.10 -0.12 -0.89 0.00 0.00 0.00 174.94 174.61 1yx0 s THR 47 N -1.73 0.94 -0.24 2.92 2.01 -1.26 -4.56 115.64 113.72 1yx0 s THR 47 Ca 0.31 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 1yx0 s THR 47 Cb -0.10 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1yx0 s THR 47 CO 0.23 0.27 -0.02 0.12 -0.69 0.00 0.00 174.62 174.53 1yx0 s PHE 48 N -0.20 3.02 -0.01 4.92 5.36 -1.26 -3.62 117.98 126.18 1yx0 s PHE 48 Ca 0.03 -1.07 -0.15 0.00 -0.96 0.00 0.00 56.93 54.78 1yx0 s PHE 48 Cb -0.05 -2.12 -0.06 0.00 -0.34 0.00 0.00 43.02 40.45 1yx0 s PHE 48 CO -0.00 -0.59 0.42 -1.58 -1.46 0.00 0.00 175.22 172.01 1yx0 s TRP 49 N 1.45 3.70 -0.02 10.12 0.51 -1.26 -1.40 118.94 132.05 1yx0 s TRP 49 Ca 0.04 0.98 0.00 0.00 -2.12 0.00 0.00 56.10 55.01 1yx0 s TRP 49 Cb -0.15 -2.32 0.02 0.00 -0.81 0.00 0.00 33.47 30.21 1yx0 s TRP 49 CO -0.02 0.59 0.01 -1.12 -0.51 0.00 0.00 176.95 175.89 1yx0 s SER 50 N -0.87 0.18 -0.00 2.95 0.01 0.20 -3.44 113.70 112.73 1yx0 s SER 50 Ca 0.24 0.01 -0.13 0.00 1.31 0.00 0.00 55.95 57.37 1yx0 s SER 50 Cb -0.17 -0.10 -0.06 0.00 0.21 0.00 0.00 66.02 65.90 1yx0 s SER 50 CO 0.13 -0.09 0.38 0.00 0.41 0.00 0.00 173.24 174.07 1yx0 s ALA 51 N 0.84 3.72 -0.12 1.44 0.00 0.40 -1.73 121.76 126.31 1yx0 s ALA 51 Ca -0.08 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1yx0 s ALA 51 Cb -0.11 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.70 1yx0 s ALA 51 CO -0.02 0.51 -0.16 -1.58 0.00 0.00 0.00 175.76 174.51 1yx0 s TRP 52 N -1.11 2.11 -0.44 0.00 0.52 -0.66 0.19 118.94 119.54 1yx0 s TRP 52 Ca 0.24 -1.07 0.05 0.00 0.02 0.00 0.00 56.10 55.35 1yx0 s TRP 52 Cb -0.16 -1.52 0.20 0.00 -1.15 0.00 0.00 33.47 30.84 1yx0 s TRP 52 CO 0.13 -0.55 0.43 -1.91 0.02 0.00 0.00 176.95 175.07 1yx0 n GLU 53 N 4.38 0.63 0.00 4.98 4.07 -1.20 -4.25 120.64 129.25 1yx0 n GLU 53 Ca -0.18 -3.39 0.00 0.00 -0.06 0.00 0.00 57.16 53.52 1yx0 n GLU 53 Cb 0.51 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yx0 n GLY 54 N 2.20 0.36 0.59 8.31 0.00 -1.26 -4.45 105.19 110.93 1yx0 n GLY 54 Ca 0.26 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.92 1yx0 n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yx0 n ASP 55 N 0.00 3.13 -4.22 1.61 2.03 -1.26 -5.00 116.55 112.84 1yx0 n ASP 55 Ca 0.00 -2.57 -0.14 0.00 0.52 0.00 0.00 54.79 52.60 1yx0 n ASP 55 Cb 0.00 -0.36 -0.10 0.00 -0.72 0.00 0.00 41.12 39.94 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1yx0 s GLU 56 N -2.01 1.30 0.50 -0.67 2.02 -1.26 -5.12 118.70 113.47 1yx0 s GLU 56 Ca 0.29 -1.70 -0.23 0.00 0.02 0.00 0.00 54.97 53.35 1yx0 s GLU 56 Cb 0.22 0.06 -0.06 0.00 0.10 0.00 0.00 34.13 34.45 1yx0 s GLU 56 CO 0.09 -0.36 1.36 -1.17 0.02 0.00 0.00 175.26 175.20 1yx0 s LEU 57 N -3.23 3.97 -0.01 1.80 0.20 -1.26 -3.25 118.68 116.90 1yx0 s LEU 57 Ca 0.38 2.77 0.08 0.00 0.69 0.00 0.00 54.13 58.05 1yx0 s LEU 57 Cb 0.07 -4.14 -0.12 0.00 -0.43 0.00 0.00 46.19 41.57 1yx0 s LEU 57 CO 0.13 -1.35 0.18 0.00 -0.29 0.00 0.00 176.35 175.02 1yx0 n ALA 58 N -0.64 2.33 0.00 5.97 0.00 0.50 -4.62 120.51 124.05 1yx0 n ALA 58 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1yx0 n ALA 58 Cb 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1yx0 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx0 n GLY 59 N 2.00 2.02 3.17 0.00 0.00 -0.84 -3.38 105.19 108.16 1yx0 n GLY 59 Ca -0.01 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1yx0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 n GLY 61 N 0.54 -0.88 3.19 0.00 0.00 -1.22 -4.32 105.19 102.49 1yx0 n GLY 61 Ca -0.16 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1yx0 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s ALA 62 N -1.00 0.34 -0.30 4.61 0.00 -1.26 -4.17 121.76 119.98 1yx0 s ALA 62 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 50.79 1yx0 s ALA 62 Cb 0.00 0.62 0.15 0.00 0.00 0.00 0.00 23.12 23.89 1yx0 s ALA 62 CO 0.00 -0.50 0.67 -1.17 0.00 0.00 0.00 175.76 174.76 1yx0 s LEU 63 N -2.96 -1.16 0.02 0.00 0.20 -1.24 -4.21 118.68 109.34 1yx0 s LEU 63 Ca 0.14 1.33 0.08 0.00 0.69 0.00 0.00 54.13 56.37 1yx0 s LEU 63 Cb 0.06 2.21 -0.02 0.00 -0.43 0.00 0.00 46.19 48.01 1yx0 s LEU 63 CO -0.05 -0.22 -0.24 -0.75 -0.29 0.00 0.00 176.35 174.80 1yx0 s LYS 64 N 2.86 1.79 0.46 1.98 2.20 -1.23 -3.99 119.74 123.80 1yx0 s LYS 64 Ca 0.01 -0.97 -0.25 0.00 -0.36 0.00 0.00 55.97 54.40 1yx0 s LYS 64 Cb -0.12 -1.85 -0.08 0.00 -1.51 0.00 0.00 37.83 34.27 1yx0 s LYS 64 CO -0.19 0.49 1.39 -1.21 -0.36 0.00 0.00 175.35 175.46 1yx0 s GLU 65 N -0.94 3.66 0.06 4.03 8.01 -1.26 -3.91 118.70 128.34 1yx0 s GLU 65 Ca 0.10 2.33 -0.00 0.00 0.01 0.00 0.00 54.97 57.40 1yx0 s GLU 65 Cb -0.09 -2.61 -0.00 0.00 -4.31 0.00 0.00 34.13 27.11 1yx0 s GLU 65 CO 0.01 -0.80 -0.00 1.28 0.01 0.00 0.00 175.26 175.75 1yx0 n LEU 66 N -0.26 0.69 -4.34 1.80 4.77 -1.04 -4.96 117.00 113.66 1yx0 n LEU 66 Ca 0.06 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.91 1yx0 n LEU 66 Cb 0.43 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1yx0 n LEU 66 CO 0.57 -0.65 -0.12 -1.81 -1.33 0.00 0.00 177.39 174.04 1yx0 s ASP 67 N -5.60 1.96 0.45 -1.43 -0.00 -0.89 -4.94 116.67 106.22 1yx0 s ASP 67 Ca -0.00 -1.76 0.21 0.00 -0.00 0.00 0.00 52.55 50.99 1yx0 s ASP 67 Cb 0.00 0.57 1.18 0.00 -0.00 0.00 0.00 42.92 44.67 1yx0 s ASP 67 CO 0.00 -1.05 1.88 0.00 -0.00 0.00 0.00 175.17 176.00 1yx0 h THR 68 N 2.04 0.67 -0.62 -1.27 1.03 -2.03 -2.75 112.91 109.98 1yx0 h THR 68 Ca -0.27 -0.10 -0.28 0.00 -0.01 0.00 0.00 66.41 65.75 1yx0 h THR 68 Cb 1.24 0.34 -0.38 0.00 -1.07 0.00 0.00 68.15 68.29 1yx0 h THR 68 CO 0.40 0.05 -1.07 0.54 -0.01 0.00 0.00 175.52 175.43 1yx0 n ARG 69 N -4.45 1.45 -3.87 0.00 1.74 -1.26 -4.92 116.66 105.35 1yx0 n ARG 69 Ca 0.18 -3.21 -0.12 0.00 -0.77 0.00 0.00 57.85 53.93 1yx0 n ARG 69 Cb 0.72 -1.28 -0.14 0.00 -1.02 0.00 0.00 32.46 30.74 1yx0 n ARG 69 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1yx0 s HIS 70 N -3.14 0.02 0.08 -1.55 2.46 -1.04 -0.73 115.29 111.38 1yx0 s HIS 70 Ca 0.26 0.01 -0.03 0.00 0.47 0.00 0.00 55.06 55.77 1yx0 s HIS 70 Cb 0.39 -0.04 -0.03 0.00 -0.13 0.00 0.00 32.58 32.77 1yx0 s HIS 70 CO -0.01 -0.01 0.04 0.20 -2.47 0.00 0.00 174.74 172.49 1yx0 s GLY 71 N 0.12 0.51 0.01 1.59 0.00 -1.25 -2.08 107.32 106.21 1yx0 s GLY 71 Ca -0.01 -1.15 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 1yx0 s GLY 71 CO -0.00 -1.21 0.35 -1.83 0.00 0.00 0.00 173.10 170.40 1yx0 s GLU 72 N -3.94 0.77 0.03 2.90 4.04 -1.25 -2.90 118.70 118.34 1yx0 s GLU 72 Ca 0.11 -0.27 0.08 0.00 0.04 0.00 0.00 54.97 54.92 1yx0 s GLU 72 Cb 0.07 0.34 -0.02 0.00 0.02 0.00 0.00 34.13 34.54 1yx0 s GLU 72 CO -0.07 -0.23 -0.23 0.42 -1.84 0.00 0.00 175.26 173.31 1yx0 s ILE 73 N -1.81 1.84 -0.31 1.83 1.09 -1.20 -3.51 121.20 119.13 1yx0 s ILE 73 Ca -0.10 -1.19 0.18 0.00 -1.10 0.00 0.00 60.65 58.44 1yx0 s ILE 73 Cb -0.03 -1.57 0.47 0.00 -1.06 0.00 0.00 42.46 40.27 1yx0 s ILE 73 CO 0.02 0.34 1.01 2.29 -0.10 0.00 0.00 174.94 178.50 1yx0 n LYS 74 N 2.02 1.54 -3.15 2.79 0.00 -1.26 -3.85 118.16 116.25 1yx0 n LYS 74 Ca -0.17 -3.44 0.05 0.00 -0.00 0.00 0.00 58.31 54.76 1yx0 n LYS 74 Cb 0.53 -1.45 -0.01 0.00 -0.00 0.00 0.00 35.03 34.10 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yx0 s SER 75 N -3.36 -0.68 -0.24 -5.58 0.15 -1.26 -4.79 113.70 97.95 1yx0 s SER 75 Ca 0.29 0.23 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 1yx0 s SER 75 Cb 0.42 1.49 0.08 0.00 -1.71 0.00 0.00 66.02 66.30 1yx0 s SER 75 CO 0.00 -0.13 0.08 -0.32 1.20 0.00 0.00 173.24 174.08 1yx0 s MET 76 N 2.93 0.45 -0.09 5.44 1.75 -1.26 -4.02 119.30 124.49 1yx0 s MET 76 Ca 0.13 -0.52 0.02 0.00 -1.25 0.00 0.00 55.69 54.07 1yx0 s MET 76 Cb -0.07 -1.80 -0.02 0.00 2.84 0.00 0.00 34.83 35.77 1yx0 s MET 76 CO -0.18 -0.81 -0.14 1.03 -0.65 0.00 0.00 175.02 174.26 1yx0 s ARG 77 N 1.92 2.99 0.01 4.11 3.00 -1.26 -5.03 118.95 124.69 1yx0 s ARG 77 Ca 0.04 -0.70 -0.20 0.00 0.00 0.00 0.00 55.73 54.87 1yx0 s ARG 77 Cb -0.17 -2.51 0.04 0.00 0.00 0.00 0.00 34.95 32.31 1yx0 s ARG 77 CO -0.19 0.39 0.45 0.99 0.00 0.00 0.00 175.30 176.94 1yx0 s THR 78 N -0.13 0.04 -0.99 0.02 2.01 -1.26 -2.46 115.64 112.87 1yx0 s THR 78 Ca -0.01 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1yx0 s THR 78 Cb -0.14 -0.87 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 1yx0 s THR 78 CO 0.03 -0.19 0.88 -0.24 -0.69 0.00 0.00 174.62 174.41 1yx0 n SER 79 N 0.80 -6.88 -4.49 3.53 2.88 -1.26 -4.89 113.62 103.31 1yx0 n SER 79 Ca -0.19 -0.59 -0.44 0.00 -1.33 0.00 0.00 58.87 56.32 1yx0 n SER 79 Cb 0.58 -5.23 -0.00 0.00 -0.75 0.00 0.00 64.21 58.81 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx0 s ALA 80 N -3.31 3.74 0.00 -1.46 0.00 -1.26 -4.66 121.76 114.80 1yx0 s ALA 80 Ca 0.37 -3.16 0.00 0.00 0.00 0.00 0.00 51.96 49.17 1yx0 s ALA 80 Cb -0.05 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1yx0 s ALA 80 CO 0.74 -2.95 0.00 0.45 0.00 0.00 0.00 175.76 174.01 1yx0 n SER 81 N 6.49 0.00 0.00 0.00 2.88 -1.26 -4.12 113.62 117.61 1yx0 n SER 81 Ca 0.38 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1yx0 n SER 81 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1yx0 n SER 81 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1yx0 n HIS 82 N 0.00 0.00 -4.21 0.66 -0.00 -1.26 -5.18 115.22 105.23 1yx0 n HIS 82 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.58 1yx0 n HIS 82 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1yx0 n HIS 82 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1yx0 s LEU 83 N 0.00 2.46 0.39 0.27 2.96 -1.26 -5.15 118.68 118.35 1yx0 s LEU 83 Ca 0.00 -0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 52.98 1yx0 s LEU 83 Cb 0.00 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 1yx0 s LEU 83 CO 0.00 -0.29 0.65 -0.13 -1.32 0.00 0.00 176.35 175.25 1yx0 s ARG 84 N -3.22 3.54 0.50 1.98 3.00 -1.26 -4.94 118.95 118.54 1yx0 s ARG 84 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 55.73 55.78 1yx0 s ARG 84 Cb -0.00 -2.54 0.00 0.00 0.00 0.00 0.00 34.95 32.40 1yx0 s ARG 84 CO 0.00 0.02 0.00 1.63 0.00 0.00 0.00 175.30 176.95 1yx0 n LYS 85 N -1.82 -1.40 -4.06 3.54 4.01 -1.26 -4.79 118.16 112.38 1yx0 n LYS 85 Ca -0.02 0.92 -0.35 0.00 -0.51 0.00 0.00 58.31 58.36 1yx0 n LYS 85 Cb 0.55 -1.71 -0.11 0.00 -0.51 0.00 0.00 35.03 33.25 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1yx0 s GLY 86 N -4.91 1.82 -0.05 0.72 0.00 -1.26 -4.98 107.32 98.66 1yx0 s GLY 86 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1yx0 s GLY 86 CO 0.00 0.13 0.39 -2.08 0.00 0.00 0.00 173.10 171.54 1yx0 h VAL 87 N 5.09 0.00 -0.01 1.40 2.07 -1.77 -0.55 116.25 122.49 1yx0 h VAL 87 Ca -0.35 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 1yx0 h VAL 87 Cb 1.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1yx0 h VAL 87 CO 0.65 0.00 -0.47 0.00 0.02 0.00 0.00 177.57 177.77 1yx0 h ALA 88 N -1.19 1.21 -0.10 1.67 0.00 -1.74 -2.49 119.26 116.61 1yx0 h ALA 88 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1yx0 h ALA 88 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1yx0 h ALA 88 CO 0.05 0.59 0.00 0.87 0.00 0.00 0.00 179.25 180.77 1yx0 h LYS 89 N 0.02 0.18 -0.82 0.00 1.57 -1.89 1.54 116.57 117.16 1yx0 h LYS 89 Ca -0.00 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1yx0 h LYS 89 Cb 0.84 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.07 1yx0 h LYS 89 CO 0.06 0.43 0.50 1.96 -0.57 0.00 0.00 179.45 181.83 1yx0 h GLN 90 N -0.09 0.86 0.08 3.15 1.08 -0.92 0.50 115.11 119.77 1yx0 h GLN 90 Ca 0.03 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1yx0 h GLN 90 Cb 0.35 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1yx0 h GLN 90 CO 0.01 0.57 -0.04 0.28 -0.95 0.00 0.00 178.83 178.70 1yx0 h VAL 91 N 0.89 1.07 -0.75 -0.54 2.07 -1.27 -2.98 116.25 114.74 1yx0 h VAL 91 Ca 0.37 -1.45 0.17 0.00 0.82 0.00 0.00 66.70 66.61 1yx0 h VAL 91 Cb 0.21 1.88 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 1yx0 h VAL 91 CO -0.19 0.31 0.09 0.25 0.02 0.00 0.00 177.57 178.05 1yx0 h LEU 92 N -0.88 -0.18 -0.54 2.57 5.85 0.24 1.09 115.31 123.47 1yx0 h LEU 92 Ca -0.01 0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1yx0 h LEU 92 Cb 0.59 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 1yx0 h LEU 92 CO 0.02 -0.12 0.17 -0.61 -0.34 0.00 0.00 178.44 177.56 1yx0 h GLN 93 N 0.17 0.33 -0.36 1.25 -0.00 -0.05 0.76 115.11 117.21 1yx0 h GLN 93 Ca 0.42 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.91 1yx0 h GLN 93 Cb 0.74 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 1yx0 h GLN 93 CO -0.60 0.22 -0.30 1.25 0.00 0.00 0.00 178.83 179.40 1yx0 h HIS 94 N 0.34 1.00 -0.28 3.99 2.76 -0.21 -0.66 115.15 122.09 1yx0 h HIS 94 Ca 0.27 -0.29 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1yx0 h HIS 94 Cb 0.32 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1yx0 h HIS 94 CO -0.18 1.08 0.15 0.82 -1.30 0.00 0.00 177.93 178.49 1yx0 h ILE 95 N 0.64 1.01 -0.33 6.26 2.04 0.21 0.78 117.51 128.11 1yx0 h ILE 95 Ca 0.06 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1yx0 h ILE 95 Cb 0.88 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1yx0 h ILE 95 CO 0.08 0.06 -0.00 0.40 0.00 0.00 0.00 178.15 178.68 1yx0 h ILE 96 N 0.31 1.19 -0.25 -0.67 2.04 0.59 -1.38 117.51 119.34 1yx0 h ILE 96 Ca 0.11 -0.78 -0.17 0.00 1.00 0.00 0.00 64.86 65.02 1yx0 h ILE 96 Cb 0.02 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1yx0 h ILE 96 CO -0.07 0.27 -0.53 -0.08 0.00 0.00 0.00 178.15 177.74 1yx0 h GLU 97 N 0.49 0.73 -0.24 2.37 4.22 0.07 0.95 114.58 123.18 1yx0 h GLU 97 Ca 0.11 -0.45 -0.01 0.00 0.08 0.00 0.00 59.36 59.08 1yx0 h GLU 97 Cb 0.33 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1yx0 h GLU 97 CO 0.01 1.08 0.11 0.93 -2.18 0.00 0.00 179.01 178.96 1yx0 h GLU 98 N 0.57 0.35 -0.05 1.92 4.39 0.11 -0.79 114.58 121.09 1yx0 h GLU 98 Ca 0.02 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1yx0 h GLU 98 Cb 1.11 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 1yx0 h GLU 98 CO 0.11 0.37 -0.53 0.00 -1.16 0.00 0.00 179.01 177.80 1yx0 h ALA 99 N 0.97 1.03 -0.50 3.43 0.00 -1.25 -2.87 119.26 120.07 1yx0 h ALA 99 Ca 0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1yx0 h ALA 99 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1yx0 h ALA 99 CO -0.01 0.67 0.29 0.93 0.00 0.00 0.00 179.25 181.13 1yx0 h GLU 100 N 0.10 0.69 0.23 0.00 4.39 -0.33 1.26 114.58 120.93 1yx0 h GLU 100 Ca -0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1yx0 h GLU 100 Cb 0.97 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1yx0 h GLU 100 CO 0.08 0.52 -0.11 -0.22 -1.16 0.00 0.00 179.01 178.11 1yx0 h LYS 101 N 0.67 -0.30 -0.41 2.33 3.64 -1.01 -2.51 116.57 118.98 1yx0 h LYS 101 Ca 0.18 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1yx0 h LYS 101 Cb 0.02 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1yx0 h LYS 101 CO -0.03 -0.20 -0.03 -0.09 -2.27 0.00 0.00 179.45 176.82 1yx0 h ARG 102 N -0.32 0.67 -2.61 1.90 2.43 -1.28 -3.48 114.38 111.69 1yx0 h ARG 102 Ca -0.03 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1yx0 h ARG 102 Cb 0.24 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1yx0 h ARG 102 CO 0.05 0.71 0.00 0.41 -1.51 0.00 0.00 179.97 179.63 1yx0 n GLY 103 N -0.68 0.84 1.21 2.80 0.00 0.43 -5.08 105.19 104.71 1yx0 n GLY 103 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1yx0 n GLY 103 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yx0 n TYR 104 N -1.27 -3.26 -0.12 1.61 4.02 -0.79 -4.95 117.16 112.40 1yx0 n TYR 104 Ca 0.00 -0.34 -0.21 0.00 -0.01 0.00 0.00 57.90 57.34 1yx0 n TYR 104 Cb 0.44 -0.40 -0.12 0.00 -0.02 0.00 0.00 39.34 39.24 1yx0 n TYR 104 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1yx0 n GLU 105 N -2.71 0.64 -3.48 -0.72 4.07 0.09 -4.81 120.64 113.72 1yx0 n GLU 105 Ca 0.05 0.20 -0.10 0.00 -0.06 0.00 0.00 57.16 57.25 1yx0 n GLU 105 Cb 0.21 -1.54 -0.02 0.00 -0.06 0.00 0.00 31.44 30.03 1yx0 n GLU 105 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1yx0 s ARG 106 N -2.52 1.10 -0.18 5.31 0.52 -1.25 -4.13 118.95 117.81 1yx0 s ARG 106 Ca -0.35 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1yx0 s ARG 106 Cb 0.10 0.50 0.01 0.00 0.52 0.00 0.00 34.95 36.08 1yx0 s ARG 106 CO 0.59 -0.49 -0.17 -1.17 0.02 0.00 0.00 175.30 174.08 1yx0 s LEU 107 N -2.65 2.32 0.39 2.53 2.96 -0.37 -3.91 118.68 119.95 1yx0 s LEU 107 Ca 0.03 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 1yx0 s LEU 107 Cb -0.01 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1yx0 s LEU 107 CO -0.10 0.02 0.29 -0.44 -1.32 0.00 0.00 176.35 174.80 1yx0 s SER 108 N 1.16 4.89 0.16 3.68 0.01 -1.14 -1.65 113.70 120.80 1yx0 s SER 108 Ca 0.01 -0.79 -0.24 0.00 1.31 0.00 0.00 55.95 56.24 1yx0 s SER 108 Cb -0.14 -0.63 0.08 0.00 0.21 0.00 0.00 66.02 65.54 1yx0 s SER 108 CO -0.07 -0.54 1.03 -1.48 0.41 0.00 0.00 173.24 172.59 1yx0 s LEU 109 N -4.02 -0.07 -0.12 2.44 0.05 -1.26 -3.24 118.68 112.46 1yx0 s LEU 109 Ca 0.44 -0.53 -0.12 0.00 0.05 0.00 0.00 54.13 53.97 1yx0 s LEU 109 Cb -0.02 2.05 -0.05 0.00 -2.05 0.00 0.00 46.19 46.13 1yx0 s LEU 109 CO 0.26 -0.90 0.27 -1.61 -0.55 0.00 0.00 176.35 173.81 1yx0 s GLU 110 N -2.62 3.98 -0.29 1.48 8.01 -1.25 -4.51 118.70 123.50 1yx0 s GLU 110 Ca 0.18 0.08 -0.21 0.00 0.01 0.00 0.00 54.97 55.03 1yx0 s GLU 110 Cb -0.01 -3.32 0.17 0.00 -4.31 0.00 0.00 34.13 26.65 1yx0 s GLU 110 CO 0.03 0.48 1.19 -0.08 0.01 0.00 0.00 175.26 176.89 1yx0 s THR 111 N -0.25 0.00 0.00 3.63 -1.32 -1.26 -4.97 115.64 111.47 1yx0 s THR 111 Ca 0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1yx0 s THR 111 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1yx0 s THR 111 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1yx0 n GLY 112 N 2.49 3.81 1.12 6.08 0.00 -1.26 -4.02 105.19 113.42 1yx0 n GLY 112 Ca -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.21 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yx0 n SER 113 N 0.00 1.67 -4.68 1.61 3.41 -1.26 -4.59 113.62 109.77 1yx0 n SER 113 Ca 0.00 -3.13 -0.24 0.00 -0.26 0.00 0.00 58.87 55.24 1yx0 n SER 113 Cb 0.00 -0.43 0.10 0.00 -0.26 0.00 0.00 64.21 63.62 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yx0 s MET 114 N -2.13 1.74 0.28 4.33 1.00 -1.26 -4.82 119.30 118.44 1yx0 s MET 114 Ca 0.37 -0.86 0.14 0.00 0.00 0.00 0.00 55.69 55.34 1yx0 s MET 114 Cb 0.38 -2.27 0.29 0.00 0.00 0.00 0.00 34.83 33.23 1yx0 s MET 114 CO -0.10 -1.44 1.55 0.00 0.00 0.00 0.00 175.02 175.03 1yx0 h ALA 115 N -0.60 0.79 0.00 3.03 0.00 -1.98 1.52 119.26 122.03 1yx0 h ALA 115 Ca -0.39 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 53.81 1yx0 h ALA 115 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1yx0 h ALA 115 CO 0.44 0.72 -0.88 1.03 0.00 0.00 0.00 179.25 180.57 1yx0 h SER 116 N 0.00 0.05 0.19 0.00 0.87 -2.00 -3.30 113.55 109.37 1yx0 h SER 116 Ca -0.01 -0.05 -0.29 0.00 -1.23 0.00 0.00 61.79 60.22 1yx0 h SER 116 Cb 1.23 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.12 1yx0 h SER 116 CO 0.07 0.90 -2.08 0.49 -0.53 0.00 0.00 176.83 175.69 1yx0 n PHE 117 N -3.54 0.34 -0.37 2.24 3.72 -1.14 -3.92 117.46 114.79 1yx0 n PHE 117 Ca -0.01 0.12 -0.04 0.00 -0.05 0.00 0.00 57.45 57.47 1yx0 n PHE 117 Cb 0.83 -1.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1yx0 n GLU 118 N -2.78 -0.28 0.06 -1.08 1.02 0.52 0.18 120.64 118.27 1yx0 n GLU 118 Ca -0.23 1.44 -0.13 0.00 -0.02 0.00 0.00 57.16 58.22 1yx0 n GLU 118 Cb 1.03 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 1yx0 n GLU 118 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1yx0 h PRO 119 N 0.00 0.43 -0.21 3.49 0.13 -1.77 -2.54 132.00 131.53 1yx0 h PRO 119 Ca 0.27 -0.42 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1yx0 h PRO 119 Cb 0.51 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 1yx0 h PRO 119 CO -0.92 1.07 0.00 0.00 -0.23 0.00 0.00 178.00 177.93 1yx0 h ALA 120 N 0.79 0.18 -0.23 -0.56 0.00 -0.40 0.32 119.26 119.35 1yx0 h ALA 120 Ca -0.06 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1yx0 h ALA 120 Cb 1.48 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1yx0 h ALA 120 CO 0.15 -0.43 -0.14 -0.09 0.00 0.00 0.00 179.25 178.74 1yx0 h ARG 121 N 0.07 0.39 0.00 0.00 2.43 0.18 -1.50 114.38 115.95 1yx0 h ARG 121 Ca 0.10 -0.11 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1yx0 h ARG 121 Cb 0.12 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1yx0 h ARG 121 CO -0.16 0.53 -0.34 0.87 -1.51 0.00 0.00 179.97 179.36 1yx0 h LYS 122 N 0.36 0.00 0.00 0.20 1.57 -0.78 -1.89 116.57 116.04 1yx0 h LYS 122 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 1yx0 h LYS 122 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1yx0 h LYS 122 CO 0.03 0.34 -0.53 1.25 -0.57 0.00 0.00 179.45 179.97 1yx0 h LEU 123 N 0.00 0.00 0.08 2.94 6.46 0.62 -2.76 115.31 122.65 1yx0 h LEU 123 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1yx0 h LEU 123 Cb 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1yx0 h LEU 123 CO 0.04 0.53 -0.04 1.88 -0.62 0.00 0.00 178.44 180.23 1yx0 h TYR 124 N 0.00 -0.09 -0.44 1.25 0.05 -0.99 -2.75 116.97 114.00 1yx0 h TYR 124 Ca -0.01 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.90 1yx0 h TYR 124 Cb 1.05 0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.81 1yx0 h TYR 124 CO 0.00 0.46 0.38 1.05 -1.05 0.00 0.00 178.16 179.00 1yx0 h GLU 125 N -0.88 0.00 0.00 4.88 -0.00 -1.41 1.26 114.58 118.43 1yx0 h GLU 125 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1yx0 h GLU 125 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 1yx0 h GLU 125 CO 0.02 0.00 -0.18 0.77 -0.00 0.00 0.00 179.01 179.62 1yx0 h SER 126 N 0.00 0.00 0.07 3.06 0.02 -1.50 -3.21 113.55 111.98 1yx0 h SER 126 Ca 0.21 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1yx0 h SER 126 Cb 0.96 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1yx0 h SER 126 CO -0.00 0.01 -1.70 0.33 -1.14 0.00 0.00 176.83 174.33 1yx0 n PHE 127 N -2.60 0.06 0.00 3.45 7.35 0.38 -4.99 117.46 121.10 1yx0 n PHE 127 Ca 0.04 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1yx0 n PHE 127 Cb 0.48 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.90 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yx0 n GLY 128 N 1.31 0.64 2.87 7.13 0.00 0.18 -5.07 105.19 112.25 1yx0 n GLY 128 Ca -0.02 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1yx0 n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yx0 s PHE 129 N -0.67 0.89 0.17 1.61 0.08 -0.97 -4.35 117.98 114.74 1yx0 s PHE 129 Ca 0.00 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 56.75 1yx0 s PHE 129 Cb 0.00 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.59 1yx0 s PHE 129 CO 0.00 -0.28 0.35 -0.65 -0.10 0.00 0.00 175.22 174.54 1yx0 s GLN 130 N 1.29 3.50 0.34 0.44 -1.52 0.25 -4.22 119.66 119.73 1yx0 s GLN 130 Ca -0.05 -0.39 -0.27 0.00 -1.95 0.00 0.00 55.36 52.70 1yx0 s GLN 130 Cb -0.14 -2.89 -0.09 0.00 -0.22 0.00 0.00 33.01 29.67 1yx0 s GLN 130 CO -0.02 0.45 1.13 0.71 -0.25 0.00 0.00 175.29 177.31 1yx0 s TYR 131 N -1.79 3.33 0.04 0.91 1.51 -1.26 0.18 117.35 120.27 1yx0 s TYR 131 Ca 0.37 1.62 -0.00 0.00 -1.01 0.00 0.00 57.07 58.05 1yx0 s TYR 131 Cb -0.11 -3.33 0.00 0.00 -0.11 0.00 0.00 41.96 38.41 1yx0 s TYR 131 CO 0.28 -0.91 0.06 0.00 -1.11 0.00 0.00 175.55 173.87 1yx0 s GLU 133 N -2.07 2.26 -0.10 0.00 -1.05 -1.26 -3.47 118.70 113.01 1yx0 s GLU 133 Ca 0.03 1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 55.73 1yx0 s GLU 133 Cb -0.00 -1.90 -0.03 0.00 -0.44 0.00 0.00 34.13 31.77 1yx0 s GLU 133 CO 0.02 -1.64 1.24 -1.25 0.95 0.00 0.00 175.26 174.58 1yx0 s PRO 134 N -4.87 4.30 -0.15 -4.83 0.04 -1.26 -4.59 135.00 123.64 1yx0 s PRO 134 Ca 0.61 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1yx0 s PRO 134 Cb -0.17 -3.65 -0.09 0.00 0.04 0.00 0.00 34.50 30.62 1yx0 s PRO 134 CO 0.56 -0.57 -0.14 0.34 0.04 0.00 0.00 177.00 177.23 1yx0 n PHE 135 N 5.83 0.00 -0.94 0.56 7.35 -1.26 -4.90 117.46 124.09 1yx0 n PHE 135 Ca 0.12 0.00 -0.36 0.00 -0.76 0.00 0.00 57.45 56.46 1yx0 n PHE 135 Cb 0.45 -0.57 0.06 0.00 0.35 0.00 0.00 39.48 39.78 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1yx0 n ALA 136 N -2.98 -4.85 -0.32 3.13 0.00 -1.26 -4.71 120.51 109.51 1yx0 n ALA 136 Ca -0.26 -0.81 0.20 0.00 0.00 0.00 0.00 53.44 52.57 1yx0 n ALA 136 Cb 0.77 -1.26 0.38 0.00 0.00 0.00 0.00 19.45 19.35 1yx0 n ALA 136 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yx0 h ASP 137 N -1.18 -0.08 -1.78 0.00 1.82 -1.95 -3.39 116.42 109.86 1yx0 h ASP 137 Ca -0.44 0.25 -0.67 0.00 -0.39 0.00 0.00 57.03 55.78 1yx0 h ASP 137 Cb 1.31 0.35 0.04 0.00 0.68 0.00 0.00 39.33 41.71 1yx0 h ASP 137 CO 0.26 -0.32 0.74 -1.22 -1.61 0.00 0.00 179.24 177.09 1yx0 n TYR 138 N -5.33 1.91 -2.44 0.28 4.01 -1.26 -4.95 117.16 109.38 1yx0 n TYR 138 Ca 0.27 0.46 -0.23 0.00 -0.16 0.00 0.00 57.90 58.24 1yx0 n TYR 138 Cb 0.90 -2.45 0.06 0.00 -0.31 0.00 0.00 39.34 37.54 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1yx0 s GLY 139 N 2.01 1.76 0.99 2.72 0.00 -1.26 -4.65 107.32 108.90 1yx0 s GLY 139 Ca 0.89 -1.19 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 1yx0 s GLY 139 CO 0.52 -0.82 -0.58 1.18 0.00 0.00 0.00 173.10 173.40 1yx0 n GLU 140 N -2.65 -0.15 0.00 2.90 1.02 -1.26 -4.96 120.64 115.54 1yx0 n GLU 140 Ca 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1yx0 n GLU 140 Cb 0.60 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yx0 n ASP 141 N 2.12 0.00 0.00 1.62 10.43 -1.26 -4.98 116.55 124.48 1yx0 n ASP 141 Ca 0.00 0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.46 1yx0 n ASP 141 Cb 0.58 0.00 0.57 0.00 1.84 0.00 0.00 41.12 44.11 1yx0 n ASP 141 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 1yx0 n PRO 142 N -0.02 0.75 -2.90 -0.24 -0.04 -1.26 -3.97 135.00 127.32 1yx0 n PRO 142 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1yx0 n PRO 142 Cb 0.00 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 1yx0 n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1yx0 n ASN 143 N -0.90 -2.79 -3.87 3.54 3.02 -1.26 -5.13 115.26 107.86 1yx0 n ASN 143 Ca 0.14 -2.80 -0.12 0.00 -0.03 0.00 0.00 54.58 51.77 1yx0 n ASN 143 Cb 0.07 1.24 -0.13 0.00 -0.61 0.00 0.00 39.78 40.35 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1yx0 s SER 144 N 0.65 -0.00 0.25 6.41 1.04 -1.25 -4.69 113.70 116.10 1yx0 s SER 144 Ca 0.31 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.67 1yx0 s SER 144 Cb 0.01 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1yx0 s SER 144 CO -0.09 -0.09 0.34 0.68 0.98 0.00 0.00 173.24 175.07 1yx0 s VAL 145 N -0.31 0.00 0.21 5.02 -7.23 -1.26 -4.95 120.40 111.89 1yx0 s VAL 145 Ca -0.04 -1.69 -0.23 0.00 -1.81 0.00 0.00 61.98 58.22 1yx0 s VAL 145 Cb -0.02 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.55 1yx0 s VAL 145 CO 0.00 0.00 0.76 0.12 -0.31 0.00 0.00 175.10 175.67 1yx0 s PHE 146 N -3.84 -0.26 0.03 2.82 5.36 -1.23 -4.27 117.98 116.59 1yx0 s PHE 146 Ca 0.31 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1yx0 s PHE 146 Cb 0.02 0.66 -0.02 0.00 -0.34 0.00 0.00 43.02 43.34 1yx0 s PHE 146 CO 0.13 -1.04 -0.07 -1.64 -1.46 0.00 0.00 175.22 171.15 1yx0 s MET 147 N -3.71 0.48 -0.01 10.12 -1.94 -1.26 -2.38 119.30 120.60 1yx0 s MET 147 Ca 0.09 -0.56 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1yx0 s MET 147 Cb -0.04 -0.31 0.01 0.00 2.01 0.00 0.00 34.83 36.51 1yx0 s MET 147 CO 0.01 0.06 0.00 -0.08 -0.01 0.00 0.00 175.02 175.01 1yx0 s THR 148 N -0.97 0.04 -0.15 2.05 -1.32 0.46 -4.20 115.64 111.55 1yx0 s THR 148 Ca -0.06 0.06 -0.04 0.00 -1.21 0.00 0.00 61.69 60.43 1yx0 s THR 148 Cb -0.07 -0.10 -0.03 0.00 -1.51 0.00 0.00 72.50 70.79 1yx0 s THR 148 CO 0.00 0.06 -0.02 -0.75 -2.21 0.00 0.00 174.62 171.70 1yx0 s LYS 149 N 0.45 3.67 -0.25 7.08 2.36 -0.66 0.84 119.74 133.24 1yx0 s LYS 149 Ca -0.04 -0.48 -0.16 0.00 -2.55 0.00 0.00 55.97 52.74 1yx0 s LYS 149 Cb -0.06 -2.95 -0.04 0.00 -1.05 0.00 0.00 37.83 33.73 1yx0 s LYS 149 CO -0.01 0.28 0.40 0.21 1.55 0.00 0.00 175.35 177.79 1yx0 s LYS 150 N 0.26 4.08 0.00 4.03 2.20 -1.26 -1.24 119.74 127.81 1yx0 s LYS 150 Ca -0.02 0.14 0.20 0.00 -0.36 0.00 0.00 55.97 55.93 1yx0 s LYS 150 Cb -0.14 -3.62 0.16 0.00 -1.51 0.00 0.00 37.83 32.73 1yx0 s LYS 150 CO 0.02 -0.21 1.14 1.28 -0.36 0.00 0.00 175.35 177.22