#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 -1.27 -0.16 2.03 0.09 -0.47 -5.00 115.29 110.51 1yx0 s HIS 2 Ca 0.00 1.22 0.02 0.00 -0.00 0.00 0.00 55.06 56.30 1yx0 s HIS 2 Cb 0.00 0.40 0.01 0.00 -0.00 0.00 0.00 32.58 32.99 1yx0 s HIS 2 CO 0.00 -0.70 -0.21 0.42 -0.00 0.00 0.00 174.74 174.25 1yx0 s ILE 3 N 2.89 2.07 0.25 0.60 -1.09 -1.26 -0.18 121.20 124.48 1yx0 s ILE 3 Ca 0.14 -0.96 -0.21 0.00 -2.23 0.00 0.00 60.65 57.39 1yx0 s ILE 3 Cb -0.12 -1.85 0.05 0.00 -1.58 0.00 0.00 42.46 38.96 1yx0 s ILE 3 CO -0.19 0.54 0.85 -1.59 -1.23 0.00 0.00 174.94 173.33 1yx0 s LYS 4 N 1.05 1.65 0.08 2.79 -2.85 -1.16 -5.04 119.74 116.26 1yx0 s LYS 4 Ca -0.01 -0.98 -0.21 0.00 -1.00 0.00 0.00 55.97 53.77 1yx0 s LYS 4 Cb -0.14 0.52 -0.07 0.00 -2.06 0.00 0.00 37.83 36.08 1yx0 s LYS 4 CO -0.07 -0.76 0.64 0.42 0.10 0.00 0.00 175.35 175.67 1yx0 s ILE 5 N -3.11 4.69 -0.25 3.79 1.09 -1.26 -1.72 121.20 124.42 1yx0 s ILE 5 Ca 0.14 1.36 -0.07 0.00 -1.10 0.00 0.00 60.65 60.99 1yx0 s ILE 5 Cb -0.04 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.37 1yx0 s ILE 5 CO 0.06 0.51 0.05 -0.62 -0.10 0.00 0.00 174.94 174.85 1yx0 s ASP 6 N -0.86 4.98 -0.32 3.58 -1.08 -0.61 -4.86 116.67 117.50 1yx0 s ASP 6 Ca 0.32 -0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.01 1yx0 s ASP 6 Cb -0.20 -1.88 0.10 0.00 -1.46 0.00 0.00 42.92 39.47 1yx0 s ASP 6 CO 0.21 -0.07 0.06 1.51 0.52 0.00 0.00 175.17 177.40 1yx0 s ASP 7 N 1.57 4.40 0.27 -0.34 1.47 -1.26 -4.45 116.67 118.32 1yx0 s ASP 7 Ca 0.05 -1.87 0.00 0.00 1.18 0.00 0.00 52.55 51.92 1yx0 s ASP 7 Cb -0.15 -1.28 0.00 0.00 -0.34 0.00 0.00 42.92 41.14 1yx0 s ASP 7 CO 0.02 -0.38 0.00 -0.11 0.68 0.00 0.00 175.17 175.38 1yx0 n LEU 8 N 4.53 -0.52 -0.14 2.11 0.00 -1.26 -4.80 117.00 116.92 1yx0 n LEU 8 Ca 0.00 1.17 -0.02 0.00 0.00 0.00 0.00 56.01 57.16 1yx0 n LEU 8 Cb 0.42 -3.33 -0.01 0.00 0.00 0.00 0.00 43.42 40.51 1yx0 n LEU 8 CO 0.17 -2.41 -0.02 1.07 0.00 0.00 0.00 177.39 176.20 1yx0 n THR 9 N -3.22 0.00 -3.49 1.96 5.66 -1.26 -4.93 114.28 109.00 1yx0 n THR 9 Ca -0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 1yx0 n THR 9 Cb 0.62 -0.55 -0.10 0.00 -1.55 0.00 0.00 70.33 68.75 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 -1.51 3.17 0.21 1.09 0.00 -1.26 -4.96 105.19 101.94 1yx0 n GLY 10 Ca -0.02 -1.92 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 1yx0 n GLY 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yx0 h ARG 11 N 5.02 0.02 0.00 1.61 0.11 -1.98 0.64 114.38 119.81 1yx0 h ARG 11 Ca 0.19 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.26 1yx0 h ARG 11 Cb 0.83 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.90 1yx0 h ARG 11 CO 0.55 0.02 -0.03 1.96 0.10 0.00 0.00 179.97 182.56 1yx0 h GLN 12 N 0.03 0.00 -0.09 0.08 1.08 -1.97 1.11 115.11 115.34 1yx0 h GLN 12 Ca 0.26 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.27 1yx0 h GLN 12 Cb 0.40 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1yx0 h GLN 12 CO -0.52 0.03 -0.68 0.28 -0.95 0.00 0.00 178.83 176.99 1yx0 h VAL 13 N 0.00 1.33 -0.03 -0.54 2.07 -0.37 -2.53 116.25 116.18 1yx0 h VAL 13 Ca -0.00 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.53 1yx0 h VAL 13 Cb 0.06 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1yx0 h VAL 13 CO 0.00 0.60 -0.09 0.58 0.02 0.00 0.00 177.57 178.68 1yx0 h VAL 14 N 0.26 1.46 -0.95 2.57 2.07 0.82 -2.09 116.25 120.39 1yx0 h VAL 14 Ca -0.06 -1.49 0.23 0.00 0.82 0.00 0.00 66.70 66.20 1yx0 h VAL 14 Cb 1.33 2.36 -0.07 0.00 -1.52 0.00 0.00 31.29 33.39 1yx0 h VAL 14 CO 0.14 0.40 0.63 -1.28 0.02 0.00 0.00 177.57 177.48 1yx0 h SER 15 N -0.43 0.36 -0.10 0.57 0.87 0.12 0.71 113.55 115.65 1yx0 h SER 15 Ca -0.00 0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 60.50 1yx0 h SER 15 Cb 0.70 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1yx0 h SER 15 CO 0.02 0.12 -0.35 0.25 -0.53 0.00 0.00 176.83 176.34 1yx0 h LEU 16 N 0.35 0.48 -1.95 2.23 6.46 -1.35 -0.43 115.31 121.09 1yx0 h LEU 16 Ca 0.50 -0.62 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1yx0 h LEU 16 Cb 1.35 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1yx0 h LEU 16 CO -0.18 1.02 -0.10 0.58 -0.62 0.00 0.00 178.44 179.13 1yx0 h VAL 17 N -0.03 0.49 0.10 1.05 2.07 0.12 -3.06 116.25 117.00 1yx0 h VAL 17 Ca -0.02 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1yx0 h VAL 17 Cb 0.98 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1yx0 h VAL 17 CO 0.07 0.10 -0.05 0.78 0.02 0.00 0.00 177.57 178.49 1yx0 h ASN 18 N 0.00 -0.12 0.00 0.57 2.35 0.45 -3.48 115.58 115.36 1yx0 h ASN 18 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1yx0 h ASN 18 Cb 0.32 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1yx0 h ASN 18 CO 0.01 0.30 0.00 1.21 -1.65 0.00 0.00 177.43 177.30 1yx0 n GLU 19 N -4.50 0.00 -0.09 0.81 0.00 -0.19 -4.59 120.64 112.08 1yx0 n GLU 19 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.04 1yx0 n GLU 19 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.46 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1yx0 n HIS 20 N 0.00 0.28 -0.02 4.31 -0.00 -1.22 -4.71 115.22 113.86 1yx0 n HIS 20 Ca 0.00 0.12 -0.09 0.00 0.46 0.00 0.00 57.72 58.21 1yx0 n HIS 20 Cb 0.00 -0.63 -0.08 0.00 -0.12 0.00 0.00 29.99 29.16 1yx0 n HIS 20 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1yx0 h LEU 21 N -1.00 -0.07 0.00 0.27 3.38 -1.88 -3.50 115.31 112.50 1yx0 h LEU 21 Ca -0.07 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1yx0 h LEU 21 Cb 0.93 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1yx0 h LEU 21 CO -0.04 0.63 0.00 1.41 0.09 0.00 0.00 178.44 180.53 1yx0 n HIS 22 N -4.78 0.00 -0.80 1.13 8.25 -1.26 -5.17 115.22 112.59 1yx0 n HIS 22 Ca -0.07 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.49 1yx0 n HIS 22 Cb 0.28 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.34 1yx0 n HIS 22 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1yx0 n SER 23 N 0.00 -4.43 -2.74 0.41 7.64 -1.26 -4.92 113.62 108.33 1yx0 n SER 23 Ca 0.00 0.75 -0.05 0.00 1.01 0.00 0.00 58.87 60.58 1yx0 n SER 23 Cb 0.00 -2.70 0.01 0.00 -1.01 0.00 0.00 64.21 60.50 1yx0 n SER 23 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1yx0 n MET 24 N -3.34 -2.61 -3.69 1.43 2.00 -1.26 -4.62 117.12 105.02 1yx0 n MET 24 Ca -0.05 2.25 -0.12 0.00 0.00 0.00 0.00 57.70 59.78 1yx0 n MET 24 Cb 0.38 -5.38 -0.12 0.00 0.00 0.00 0.00 33.22 28.10 1yx0 n MET 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1yx0 s THR 25 N -2.21 -0.24 0.20 2.03 2.01 -1.26 -4.34 115.64 111.82 1yx0 s THR 25 Ca 0.16 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1yx0 s THR 25 Cb -0.05 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1yx0 s THR 25 CO 0.73 0.08 0.00 0.18 -0.69 0.00 0.00 174.62 174.92 1yx0 n LEU 26 N 4.78 0.00 -4.75 4.42 4.77 -1.26 -4.81 117.00 120.15 1yx0 n LEU 26 Ca -0.16 0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 56.46 1yx0 n LEU 26 Cb 0.52 -2.77 0.19 0.00 -2.33 0.00 0.00 43.42 39.03 1yx0 n LEU 26 CO 0.07 -1.88 0.72 0.00 -1.33 0.00 0.00 177.39 174.97 1yx0 s MET 27 N -1.59 -0.00 0.13 3.23 0.23 -1.26 -5.07 119.30 114.97 1yx0 s MET 27 Ca 0.00 -0.06 0.03 0.00 -1.03 0.00 0.00 55.69 54.63 1yx0 s MET 27 Cb 0.00 -1.74 -0.04 0.00 -1.53 0.00 0.00 34.83 31.52 1yx0 s MET 27 CO 0.00 -2.90 0.17 -1.54 -2.03 0.00 0.00 175.02 168.72 1yx0 s SER 28 N -4.22 5.86 0.93 -1.18 1.04 -1.26 -5.11 113.70 109.75 1yx0 s SER 28 Ca 0.70 0.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.03 1yx0 s SER 28 Cb -0.10 -1.65 0.15 0.00 0.10 0.00 0.00 66.02 64.53 1yx0 s SER 28 CO 0.54 0.10 1.15 -2.16 0.98 0.00 0.00 173.24 173.85 1yx0 s PRO 29 N -2.91 0.99 -0.41 4.02 0.04 -1.26 -4.96 135.00 130.52 1yx0 s PRO 29 Ca 0.32 0.23 -0.29 0.00 0.04 0.00 0.00 61.00 61.31 1yx0 s PRO 29 Cb -0.11 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1yx0 s PRO 29 CO 0.25 -2.28 1.41 -1.25 0.04 0.00 0.00 177.00 175.17 1yx0 s PRO 30 N -5.32 3.58 0.00 0.56 0.04 -1.26 -4.91 135.00 127.69 1yx0 s PRO 30 Ca 0.65 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1yx0 s PRO 30 Cb -0.14 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1yx0 s PRO 30 CO 0.53 -1.56 0.00 0.39 0.04 0.00 0.00 177.00 176.41 1yx0 n GLU 31 N 8.06 0.00 -0.77 4.56 1.02 -1.26 -5.03 120.64 127.23 1yx0 n GLU 31 Ca 0.16 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 1yx0 n GLU 31 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.88 1yx0 n GLU 31 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1yx0 n SER 32 N 0.00 4.68 -2.80 1.62 7.64 -1.26 -4.01 113.62 119.49 1yx0 n SER 32 Ca 0.00 -2.35 -0.10 0.00 1.01 0.00 0.00 58.87 57.43 1yx0 n SER 32 Cb 0.00 -1.09 0.07 0.00 -1.01 0.00 0.00 64.21 62.18 1yx0 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 n ILE 33 N 4.37 0.07 -2.65 0.44 3.06 -1.26 -4.97 119.36 118.42 1yx0 n ILE 33 Ca 0.44 -2.21 -0.02 0.00 -2.50 0.00 0.00 62.75 58.46 1yx0 n ILE 33 Cb 0.15 0.97 0.12 0.00 0.54 0.00 0.00 39.64 41.42 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1yx0 n HIS 34 N 0.04 -0.17 -3.42 9.51 -0.00 -1.26 -5.05 115.22 114.87 1yx0 n HIS 34 Ca 0.07 -0.60 -0.45 0.00 0.46 0.00 0.00 57.72 57.21 1yx0 n HIS 34 Cb 0.75 1.13 -0.04 0.00 -0.12 0.00 0.00 29.99 31.71 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1yx0 s ALA 35 N 0.02 4.01 0.00 1.57 0.00 -1.26 -4.98 121.76 121.12 1yx0 s ALA 35 Ca 0.20 -3.35 0.00 0.00 0.00 0.00 0.00 51.96 48.82 1yx0 s ALA 35 Cb 0.30 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1yx0 s ALA 35 CO -0.21 -2.24 0.00 -0.11 0.00 0.00 0.00 175.76 173.20 1yx0 n LEU 36 N 3.79 0.00 -2.77 0.00 7.94 -1.26 -5.08 117.00 119.61 1yx0 n LEU 36 Ca 0.13 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 55.00 1yx0 n LEU 36 Cb 0.45 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.45 1yx0 n LEU 36 CO 0.34 0.00 0.01 0.61 -1.11 0.00 0.00 177.39 177.23 1yx0 n GLY 37 N 5.00 1.70 0.65 -3.96 0.00 -1.26 -4.91 105.19 102.41 1yx0 n GLY 37 Ca 0.00 -1.06 0.50 0.00 0.00 0.00 0.00 46.02 45.46 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 2.63 0.05 -4.68 0.99 4.07 -1.98 1.34 115.31 117.73 1yx0 h LEU 38 Ca -0.15 0.04 -0.65 0.00 0.08 0.00 0.00 57.88 57.20 1yx0 h LEU 38 Cb 1.24 0.04 -0.24 0.00 1.08 0.00 0.00 40.66 42.79 1yx0 h LEU 38 CO 0.25 -0.07 0.80 -0.62 -1.08 0.00 0.00 178.44 177.73 1yx0 n GLU 39 N -4.14 2.59 0.08 1.13 1.02 -1.26 -4.03 120.64 116.03 1yx0 n GLU 39 Ca 0.44 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 1yx0 n GLU 39 Cb 1.91 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1yx0 n LYS 40 N -0.09 0.00 -0.01 3.49 5.02 0.46 -4.87 118.16 122.16 1yx0 n LYS 40 Ca 0.52 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.69 1yx0 n LYS 40 Cb 0.39 -0.22 -0.09 0.00 -0.02 0.00 0.00 35.03 35.09 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yx0 h LEU 41 N 0.00 0.04 -5.18 -0.35 4.07 -1.74 -3.24 115.31 108.91 1yx0 h LEU 41 Ca 0.00 -0.34 -0.63 0.00 0.08 0.00 0.00 57.88 56.99 1yx0 h LEU 41 Cb 0.10 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 41.85 1yx0 h LEU 41 CO 0.00 0.37 3.58 0.54 -1.08 0.00 0.00 178.44 181.85 1yx0 n ARG 42 N -4.90 3.34 -4.30 1.13 1.74 -1.26 -4.77 116.66 107.66 1yx0 n ARG 42 Ca -0.08 -2.11 -0.25 0.00 -0.77 0.00 0.00 57.85 54.64 1yx0 n ARG 42 Cb 0.19 -2.79 -0.08 0.00 -1.02 0.00 0.00 32.46 28.76 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 2.50 2.20 0.24 -0.13 0.00 -1.22 -4.92 107.32 105.99 1yx0 s GLY 43 Ca 0.63 -2.04 0.11 0.00 0.00 0.00 0.00 44.72 43.42 1yx0 s GLY 43 CO -0.06 -1.92 1.52 -0.56 0.00 0.00 0.00 173.10 172.09 1yx0 h PRO 44 N 1.67 0.00 -2.01 2.90 0.13 -1.91 -3.27 132.00 129.52 1yx0 h PRO 44 Ca -0.43 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 63.99 1yx0 h PRO 44 Cb 1.25 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.05 1yx0 h PRO 44 CO 0.69 0.69 0.40 -1.91 -0.23 0.00 0.00 178.00 177.64 1yx0 n GLU 45 N -3.60 3.70 -4.84 0.86 2.13 -1.26 -4.97 120.64 112.67 1yx0 n GLU 45 Ca -0.01 -4.26 -0.26 0.00 0.66 0.00 0.00 57.16 53.30 1yx0 n GLU 45 Cb 0.70 -2.31 -0.16 0.00 0.27 0.00 0.00 31.44 29.94 1yx0 n GLU 45 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1yx0 s ILE 46 N -4.88 1.42 -0.12 6.31 -1.09 -1.23 -4.86 121.20 116.74 1yx0 s ILE 46 Ca 0.47 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1yx0 s ILE 46 Cb 0.34 -1.22 0.01 0.00 -1.58 0.00 0.00 42.46 40.01 1yx0 s ILE 46 CO -0.25 0.41 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.78 1yx0 s THR 47 N -0.04 1.87 -0.28 2.92 2.01 -1.26 -4.97 115.64 115.89 1yx0 s THR 47 Ca -0.02 -0.87 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 1yx0 s THR 47 Cb -0.11 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1yx0 s THR 47 CO 0.02 0.51 0.10 -0.36 -0.69 0.00 0.00 174.62 174.20 1yx0 s PHE 48 N 0.81 3.13 -0.06 4.92 0.40 -1.26 -3.05 117.98 122.87 1yx0 s PHE 48 Ca -0.08 -0.61 -0.20 0.00 -0.60 0.00 0.00 56.93 55.44 1yx0 s PHE 48 Cb -0.16 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 1yx0 s PHE 48 CO -0.01 -0.45 0.55 -1.58 0.70 0.00 0.00 175.22 174.44 1yx0 s TRP 49 N 1.59 3.59 0.29 0.36 0.51 -1.08 -1.58 118.94 122.62 1yx0 s TRP 49 Ca 0.05 1.06 0.09 0.00 -2.12 0.00 0.00 56.10 55.17 1yx0 s TRP 49 Cb -0.16 -2.60 -0.06 0.00 -0.81 0.00 0.00 33.47 29.84 1yx0 s TRP 49 CO 0.04 0.25 -0.11 -1.12 -0.51 0.00 0.00 176.95 175.50 1yx0 s SER 50 N 0.28 3.19 -0.05 2.95 0.01 -0.70 -1.25 113.70 118.12 1yx0 s SER 50 Ca 0.29 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.43 1yx0 s SER 50 Cb -0.17 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1yx0 s SER 50 CO 0.14 -0.21 -0.09 0.00 0.41 0.00 0.00 173.24 173.49 1yx0 s ALA 51 N -2.79 1.02 -0.21 1.44 0.00 -0.78 -2.98 121.76 117.46 1yx0 s ALA 51 Ca 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1yx0 s ALA 51 Cb 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.68 1yx0 s ALA 51 CO 0.13 0.09 -0.16 -1.58 0.00 0.00 0.00 175.76 174.23 1yx0 s TRP 52 N 0.66 2.95 -0.42 0.00 0.52 0.75 0.19 118.94 123.58 1yx0 s TRP 52 Ca -0.12 -1.84 0.06 0.00 0.02 0.00 0.00 56.10 54.22 1yx0 s TRP 52 Cb -0.14 -1.93 0.20 0.00 -1.15 0.00 0.00 33.47 30.44 1yx0 s TRP 52 CO 0.02 -0.82 0.46 -0.85 0.02 0.00 0.00 176.95 175.78 1yx0 n GLU 53 N 4.57 0.42 0.00 4.98 0.28 -1.25 -1.37 120.64 128.26 1yx0 n GLU 53 Ca -0.19 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 53.81 1yx0 n GLU 53 Cb 0.47 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.85 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yx0 n GLY 54 N 2.32 -0.14 0.03 -1.84 0.00 -1.26 -4.87 105.19 99.42 1yx0 n GLY 54 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.55 -3.51 1.61 4.64 -1.26 -5.03 116.55 113.55 1yx0 n ASP 55 Ca 0.00 -0.77 -0.17 0.00 -1.38 0.00 0.00 54.79 52.46 1yx0 n ASP 55 Cb 0.00 0.93 -0.08 0.00 -1.04 0.00 0.00 41.12 40.93 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1yx0 s GLU 56 N -1.83 1.67 0.28 -0.67 2.02 -1.26 -5.12 118.70 113.78 1yx0 s GLU 56 Ca 0.04 -1.90 -0.30 0.00 0.02 0.00 0.00 54.97 52.83 1yx0 s GLU 56 Cb 0.07 0.33 -0.12 0.00 0.10 0.00 0.00 34.13 34.52 1yx0 s GLU 56 CO 0.37 -0.62 1.60 1.47 0.02 0.00 0.00 175.26 178.11 1yx0 n LEU 57 N -0.54 4.29 0.09 1.80 -0.00 -1.26 -3.96 117.00 117.42 1yx0 n LEU 57 Ca 0.06 1.14 -0.18 0.00 -0.00 0.00 0.00 56.01 57.02 1yx0 n LEU 57 Cb 0.63 -1.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.32 1yx0 n LEU 57 CO 0.32 0.13 -0.25 0.00 -0.00 0.00 0.00 177.39 177.59 1yx0 h ALA 58 N 4.95 0.14 0.00 1.47 0.00 0.17 -3.47 119.26 122.52 1yx0 h ALA 58 Ca -0.47 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.44 1yx0 h ALA 58 Cb 1.22 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1yx0 h ALA 58 CO 0.81 1.01 0.00 0.41 0.00 0.00 0.00 179.25 181.47 1yx0 n GLY 59 N 1.65 -1.32 1.42 0.00 0.00 -0.76 -4.66 105.19 101.52 1yx0 n GLY 59 Ca -0.15 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1yx0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s GLY 61 N -2.01 -0.33 -0.06 0.00 0.00 -0.38 -4.53 107.32 100.00 1yx0 s GLY 61 Ca 0.17 1.42 0.01 0.00 0.00 0.00 0.00 44.72 46.32 1yx0 s GLY 61 CO 0.12 0.42 -0.07 0.00 0.00 0.00 0.00 173.10 173.56 1yx0 s ALA 62 N -2.16 0.97 -0.06 3.20 0.00 -1.24 -2.63 121.76 119.85 1yx0 s ALA 62 Ca 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1yx0 s ALA 62 Cb 0.02 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1yx0 s ALA 62 CO -0.04 -0.08 0.03 -1.17 0.00 0.00 0.00 175.76 174.51 1yx0 s LEU 63 N 1.05 0.35 -0.04 0.00 0.20 -1.17 -3.24 118.68 115.83 1yx0 s LEU 63 Ca -0.08 -0.01 0.07 0.00 0.69 0.00 0.00 54.13 54.79 1yx0 s LEU 63 Cb -0.14 -0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 45.33 1yx0 s LEU 63 CO -0.00 -0.23 -0.25 -0.75 -0.29 0.00 0.00 176.35 174.82 1yx0 s LYS 64 N 2.08 2.36 0.59 1.98 2.20 -1.24 -4.04 119.74 123.67 1yx0 s LYS 64 Ca 0.05 -0.91 -0.20 0.00 -0.36 0.00 0.00 55.97 54.55 1yx0 s LYS 64 Cb -0.12 -2.10 -0.03 0.00 -1.51 0.00 0.00 37.83 34.06 1yx0 s LYS 64 CO -0.04 0.45 1.29 -1.83 -0.36 0.00 0.00 175.35 174.86 1yx0 s GLU 65 N -0.34 2.93 0.00 4.03 -1.05 -1.26 -3.92 118.70 119.08 1yx0 s GLU 65 Ca 0.02 2.04 0.00 0.00 -0.15 0.00 0.00 54.97 56.88 1yx0 s GLU 65 Cb -0.12 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 1yx0 s GLU 65 CO 0.02 -1.30 0.00 1.28 0.95 0.00 0.00 175.26 176.21 1yx0 n LEU 66 N -1.44 0.00 0.00 1.83 4.32 -0.94 -4.96 117.00 115.80 1yx0 n LEU 66 Ca 0.13 0.00 -0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1yx0 n LEU 66 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1yx0 n LEU 66 CO 0.48 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.13 1yx0 n ASP 67 N -0.87 0.21 -0.21 -1.43 10.43 -0.17 -4.96 116.55 119.56 1yx0 n ASP 67 Ca 0.00 -1.02 -0.06 0.00 2.57 0.00 0.00 54.79 56.27 1yx0 n ASP 67 Cb 0.00 -0.01 0.04 0.00 1.84 0.00 0.00 41.12 42.99 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yx0 h THR 68 N 0.09 1.16 -0.55 -3.53 1.03 -2.04 -3.27 112.91 105.80 1yx0 h THR 68 Ca -0.00 -0.29 -0.31 0.00 -0.01 0.00 0.00 66.41 65.79 1yx0 h THR 68 Cb 0.02 0.29 -0.41 0.00 -1.07 0.00 0.00 68.15 66.98 1yx0 h THR 68 CO 0.01 0.15 -1.06 0.54 -0.01 0.00 0.00 175.52 175.15 1yx0 n ARG 69 N -4.67 2.08 -3.83 0.00 1.74 -1.26 -4.99 116.66 105.73 1yx0 n ARG 69 Ca 0.04 -3.64 -0.15 0.00 -0.77 0.00 0.00 57.85 53.33 1yx0 n ARG 69 Cb 0.02 -1.72 -0.16 0.00 -1.02 0.00 0.00 32.46 29.58 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 -3.72 0.12 0.24 -1.55 2.46 -1.23 -1.97 115.29 109.64 1yx0 s HIS 70 Ca 0.32 0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.93 1yx0 s HIS 70 Cb 0.35 -0.27 -0.05 0.00 -0.13 0.00 0.00 32.58 32.48 1yx0 s HIS 70 CO -0.02 -0.09 0.11 0.20 -2.47 0.00 0.00 174.74 172.47 1yx0 s GLY 71 N 0.93 1.63 0.04 1.59 0.00 -1.25 -1.00 107.32 109.26 1yx0 s GLY 71 Ca -0.08 -1.79 -0.13 0.00 0.00 0.00 0.00 44.72 42.71 1yx0 s GLY 71 CO -0.02 -1.51 0.29 1.85 0.00 0.00 0.00 173.10 173.70 1yx0 s GLU 72 N -4.07 0.77 -0.05 2.90 2.12 -1.25 -2.31 118.70 116.81 1yx0 s GLU 72 Ca 0.38 -0.49 0.04 0.00 0.36 0.00 0.00 54.97 55.27 1yx0 s GLU 72 Cb 0.07 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 1yx0 s GLU 72 CO 0.13 -0.24 -0.18 0.42 -0.54 0.00 0.00 175.26 174.85 1yx0 s ILE 73 N -2.41 2.75 -0.32 -3.70 1.01 -1.16 -3.69 121.20 113.67 1yx0 s ILE 73 Ca -0.06 -0.83 0.17 0.00 0.00 0.00 0.00 60.65 59.93 1yx0 s ILE 73 Cb -0.01 -2.05 0.47 0.00 0.01 0.00 0.00 42.46 40.87 1yx0 s ILE 73 CO -0.03 0.58 1.02 0.29 0.00 0.00 0.00 174.94 176.81 1yx0 n LYS 74 N 2.50 1.71 -3.15 2.79 4.01 -1.20 -4.08 118.16 120.74 1yx0 n LYS 74 Ca -0.17 -3.52 0.06 0.00 -0.51 0.00 0.00 58.31 54.17 1yx0 n LYS 74 Cb 0.52 -1.52 -0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1yx0 s SER 75 N -3.38 -0.02 -0.39 4.39 0.15 -1.26 -4.82 113.70 108.37 1yx0 s SER 75 Ca 0.31 0.00 0.03 0.00 0.70 0.00 0.00 55.95 56.99 1yx0 s SER 75 Cb 0.41 1.01 0.16 0.00 -1.71 0.00 0.00 66.02 65.90 1yx0 s SER 75 CO -0.01 -0.00 0.30 -0.32 1.20 0.00 0.00 173.24 174.40 1yx0 s MET 76 N 3.00 0.79 -0.05 5.44 1.75 -1.26 -3.64 119.30 125.32 1yx0 s MET 76 Ca 0.24 -1.84 0.05 0.00 -1.25 0.00 0.00 55.69 52.89 1yx0 s MET 76 Cb -0.01 -1.38 -0.01 0.00 2.84 0.00 0.00 34.83 36.27 1yx0 s MET 76 CO -0.19 -1.33 -0.21 1.03 -0.65 0.00 0.00 175.02 173.68 1yx0 s ARG 77 N 0.41 2.07 0.00 4.11 1.81 -1.26 -5.08 118.95 121.00 1yx0 s ARG 77 Ca 0.28 -0.74 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1yx0 s ARG 77 Cb -0.06 -1.80 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 1yx0 s ARG 77 CO -0.13 0.32 0.18 2.41 -0.68 0.00 0.00 175.30 177.40 1yx0 n THR 78 N 3.01 0.00 0.00 0.02 -1.04 -1.26 -4.27 114.28 110.74 1yx0 n THR 78 Ca -0.18 0.47 0.00 0.00 -2.04 0.00 0.00 64.05 62.31 1yx0 n THR 78 Cb 0.53 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 1yx0 n THR 78 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yx0 n SER 79 N -0.31 0.00 0.00 8.00 7.64 -1.26 -4.37 113.62 123.32 1yx0 n SER 79 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 1yx0 n SER 79 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 n ALA 80 N 0.00 2.62 0.00 -0.43 0.00 -1.26 -4.51 120.51 116.93 1yx0 n ALA 80 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1yx0 n ALA 80 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx0 n SER 81 N -2.61 0.00 -3.72 0.00 7.64 -1.26 -5.00 113.62 108.67 1yx0 n SER 81 Ca -0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1yx0 n SER 81 Cb 0.01 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.04 1yx0 n SER 81 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1yx0 s HIS 82 N 0.00 0.84 0.06 1.43 -3.43 -1.26 -5.13 115.29 107.80 1yx0 s HIS 82 Ca 0.00 -0.67 -0.00 0.00 -0.80 0.00 0.00 55.06 53.59 1yx0 s HIS 82 Cb 0.00 -0.94 -0.04 0.00 -1.43 0.00 0.00 32.58 30.17 1yx0 s HIS 82 CO 0.00 -0.55 -0.04 -1.17 -2.00 0.00 0.00 174.74 170.98 1yx0 s LEU 83 N 1.92 2.49 0.33 5.38 0.20 -1.26 -5.13 118.68 122.60 1yx0 s LEU 83 Ca 0.00 -0.99 -0.06 0.00 0.69 0.00 0.00 54.13 53.78 1yx0 s LEU 83 Cb -0.16 0.13 -0.05 0.00 -0.43 0.00 0.00 46.19 45.67 1yx0 s LEU 83 CO -0.08 -0.56 0.61 -0.13 -0.29 0.00 0.00 176.35 175.91 1yx0 s ARG 84 N -3.83 3.65 0.00 1.98 3.00 -1.26 -4.44 118.95 118.05 1yx0 s ARG 84 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 55.73 55.91 1yx0 s ARG 84 Cb 0.07 -2.58 0.00 0.00 0.00 0.00 0.00 34.95 32.44 1yx0 s ARG 84 CO -0.08 0.13 0.00 1.17 0.00 0.00 0.00 175.30 176.52 1yx0 n LYS 85 N -1.13 0.00 0.00 3.54 4.81 -1.26 -4.60 118.16 119.52 1yx0 n LYS 85 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1yx0 n LYS 85 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yx0 n GLY 86 N 0.00 2.97 0.18 3.14 0.00 -1.26 -4.96 105.19 105.26 1yx0 n GLY 86 Ca 0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 1yx0 n GLY 86 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yx0 h VAL 87 N 0.00 0.00 -0.84 1.61 2.07 -1.87 -2.45 116.25 114.77 1yx0 h VAL 87 Ca 0.00 -0.62 0.15 0.00 0.82 0.00 0.00 66.70 67.05 1yx0 h VAL 87 Cb 0.00 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1yx0 h VAL 87 CO 0.00 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.02 1yx0 h ALA 88 N -1.21 1.26 -0.68 1.67 0.00 -1.90 0.23 119.26 118.63 1yx0 h ALA 88 Ca -0.04 0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1yx0 h ALA 88 Cb 0.29 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1yx0 h ALA 88 CO 0.06 -0.09 0.34 0.87 0.00 0.00 0.00 179.25 180.43 1yx0 h LYS 89 N 0.61 0.58 0.37 0.00 1.57 -1.93 1.00 116.57 118.77 1yx0 h LYS 89 Ca 0.46 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1yx0 h LYS 89 Cb 0.65 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1yx0 h LYS 89 CO -0.36 0.39 -0.18 1.96 -0.57 0.00 0.00 179.45 180.68 1yx0 h GLN 90 N 0.60 -0.48 0.23 3.15 1.08 -0.12 0.44 115.11 120.00 1yx0 h GLN 90 Ca 0.33 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1yx0 h GLN 90 Cb 0.31 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1yx0 h GLN 90 CO -0.24 -0.26 -0.21 0.28 -0.95 0.00 0.00 178.83 177.45 1yx0 h VAL 91 N -0.60 0.54 -0.61 -0.54 2.07 -0.51 0.16 116.25 116.77 1yx0 h VAL 91 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 1yx0 h VAL 91 Cb 0.44 0.54 -0.12 0.00 -1.52 0.00 0.00 31.29 30.64 1yx0 h VAL 91 CO 0.08 0.00 -0.14 0.25 0.02 0.00 0.00 177.57 177.78 1yx0 h LEU 92 N -0.46 -0.55 -0.77 2.57 7.12 0.11 0.37 115.31 123.69 1yx0 h LEU 92 Ca -0.00 0.18 0.02 0.00 0.13 0.00 0.00 57.88 58.21 1yx0 h LEU 92 Cb 0.43 0.37 -0.04 0.00 -0.53 0.00 0.00 40.66 40.89 1yx0 h LEU 92 CO -0.04 -0.20 0.50 -0.61 -0.13 0.00 0.00 178.44 177.96 1yx0 h GLN 93 N 0.01 0.96 -0.18 1.25 -0.00 -0.33 -0.59 115.11 116.24 1yx0 h GLN 93 Ca 0.30 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.92 1yx0 h GLN 93 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 27.48 27.69 1yx0 h GLN 93 CO -0.63 0.64 -0.02 1.25 0.00 0.00 0.00 178.83 180.07 1yx0 h HIS 94 N 0.99 -0.05 -0.14 3.99 2.76 0.25 1.14 115.15 124.09 1yx0 h HIS 94 Ca 0.29 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.51 1yx0 h HIS 94 Cb -0.05 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1yx0 h HIS 94 CO -0.03 -0.05 -0.05 0.82 -1.30 0.00 0.00 177.93 177.32 1yx0 h ILE 95 N 0.03 0.81 0.19 6.26 5.03 -0.16 0.75 117.51 130.42 1yx0 h ILE 95 Ca 0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.82 1yx0 h ILE 95 Cb 0.12 0.81 0.00 0.00 -3.03 0.00 0.00 36.82 34.72 1yx0 h ILE 95 CO -0.16 0.00 -0.10 0.40 -0.68 0.00 0.00 178.15 177.61 1yx0 h ILE 96 N -0.03 0.79 -0.87 -0.67 2.04 -0.55 0.15 117.51 118.37 1yx0 h ILE 96 Ca 0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.04 1yx0 h ILE 96 Cb 0.14 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 1yx0 h ILE 96 CO -0.16 0.00 0.51 -0.08 0.00 0.00 0.00 178.15 178.41 1yx0 h GLU 97 N -0.27 0.81 0.09 2.37 4.22 0.18 1.29 114.58 123.26 1yx0 h GLU 97 Ca -0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 1yx0 h GLU 97 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1yx0 h GLU 97 CO 0.03 0.53 -0.04 1.49 -2.18 0.00 0.00 179.01 178.85 1yx0 h GLU 98 N 0.83 -0.12 -0.07 1.92 4.57 0.10 -1.51 114.58 120.31 1yx0 h GLU 98 Ca 0.42 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.54 1yx0 h GLU 98 Cb 0.40 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1yx0 h GLU 98 CO -0.25 0.04 -0.27 0.00 -1.18 0.00 0.00 179.01 177.35 1yx0 h ALA 99 N 0.64 1.42 -0.42 2.92 0.00 0.07 -2.60 119.26 121.30 1yx0 h ALA 99 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1yx0 h ALA 99 Cb 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1yx0 h ALA 99 CO 0.02 0.41 0.27 0.93 0.00 0.00 0.00 179.25 180.89 1yx0 h GLU 100 N 0.11 0.54 0.18 0.00 4.39 0.21 0.82 114.58 120.82 1yx0 h GLU 100 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1yx0 h GLU 100 Cb 0.54 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1yx0 h GLU 100 CO 0.04 0.35 -0.09 -0.22 -1.16 0.00 0.00 179.01 177.94 1yx0 h LYS 101 N 0.55 -0.23 -0.45 2.33 3.64 -0.93 -2.38 116.57 119.11 1yx0 h LYS 101 Ca 0.16 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1yx0 h LYS 101 Cb -0.05 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1yx0 h LYS 101 CO -0.04 -0.12 0.23 0.00 -2.27 0.00 0.00 179.45 177.25 1yx0 h ARG 102 N -0.29 0.62 -2.71 1.90 -0.00 -1.19 -3.47 114.38 109.24 1yx0 h ARG 102 Ca -0.02 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 1yx0 h ARG 102 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.07 1yx0 h ARG 102 CO 0.04 0.47 -0.00 0.41 0.00 0.00 0.00 179.97 180.89 1yx0 n GLY 103 N -1.28 0.78 1.34 0.04 0.00 0.28 -5.07 105.19 101.28 1yx0 n GLY 103 Ca 0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.36 -3.39 -0.07 1.61 4.01 -0.92 -5.00 117.16 112.04 1yx0 n TYR 104 Ca -0.00 -0.38 -0.09 0.00 -0.16 0.00 0.00 57.90 57.27 1yx0 n TYR 104 Cb 0.50 -0.43 -0.08 0.00 -0.31 0.00 0.00 39.34 39.02 1yx0 n TYR 104 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1yx0 n GLU 105 N -2.71 1.05 -3.49 -0.72 2.13 -0.83 -4.78 120.64 111.28 1yx0 n GLU 105 Ca 0.06 0.05 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 1yx0 n GLU 105 Cb 0.22 -1.31 -0.02 0.00 0.27 0.00 0.00 31.44 30.60 1yx0 n GLU 105 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1yx0 s ARG 106 N -2.30 1.14 -0.17 5.31 0.52 -1.24 -3.77 118.95 118.43 1yx0 s ARG 106 Ca -0.15 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1yx0 s ARG 106 Cb 0.05 0.51 0.03 0.00 0.52 0.00 0.00 34.95 36.05 1yx0 s ARG 106 CO 0.41 -0.50 -0.14 -0.51 0.02 0.00 0.00 175.30 174.58 1yx0 s LEU 107 N -2.67 1.99 0.40 2.53 1.43 -0.60 -3.97 118.68 117.78 1yx0 s LEU 107 Ca 0.04 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.56 1yx0 s LEU 107 Cb -0.01 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 1yx0 s LEU 107 CO -0.10 -0.07 0.35 -0.44 0.23 0.00 0.00 176.35 176.32 1yx0 s SER 108 N 1.41 5.08 0.04 2.29 0.01 -0.98 -1.24 113.70 120.31 1yx0 s SER 108 Ca 0.03 -0.70 -0.15 0.00 1.31 0.00 0.00 55.95 56.44 1yx0 s SER 108 Cb -0.14 -0.65 0.05 0.00 0.21 0.00 0.00 66.02 65.49 1yx0 s SER 108 CO -0.10 -0.58 0.68 0.00 0.41 0.00 0.00 173.24 173.64 1yx0 n LEU 109 N -1.50 0.00 -4.70 2.44 -0.00 -1.26 -3.01 117.00 108.97 1yx0 n LEU 109 Ca 0.02 -0.48 -0.37 0.00 -0.00 0.00 0.00 56.01 55.18 1yx0 n LEU 109 Cb 0.61 1.29 -0.07 0.00 -0.00 0.00 0.00 43.42 45.25 1yx0 n LEU 109 CO 0.42 -0.16 0.02 -1.83 -0.00 0.00 0.00 177.39 175.84 1yx0 s GLU 110 N -2.02 4.22 -0.05 1.47 -1.05 -1.26 -4.29 118.70 115.72 1yx0 s GLU 110 Ca 0.16 0.11 -0.09 0.00 -0.15 0.00 0.00 54.97 55.00 1yx0 s GLU 110 Cb -0.01 -3.47 0.02 0.00 -0.44 0.00 0.00 34.13 30.23 1yx0 s GLU 110 CO 0.01 0.13 0.22 0.99 0.95 0.00 0.00 175.26 177.56 1yx0 s THR 111 N 0.80 0.03 0.00 1.83 2.01 -1.26 -4.99 115.64 114.05 1yx0 s THR 111 Ca 0.17 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1yx0 s THR 111 Cb -0.14 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1yx0 s THR 111 CO 0.05 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1yx0 n GLY 112 N 2.35 2.46 0.00 4.40 0.00 -1.05 -4.01 105.19 109.34 1yx0 n GLY 112 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -4.86 1.61 3.41 -1.26 -3.02 113.62 109.50 1yx0 n SER 113 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1yx0 n SER 113 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.00 3.75 0.50 4.33 1.00 -1.26 -4.91 119.30 122.70 1yx0 s MET 114 Ca 0.00 0.19 0.25 0.00 0.00 0.00 0.00 55.69 56.13 1yx0 s MET 114 Cb 0.00 -3.11 1.32 0.00 0.00 0.00 0.00 34.83 33.03 1yx0 s MET 114 CO 0.00 0.65 1.92 0.00 0.00 0.00 0.00 175.02 177.59 1yx0 h ALA 115 N 4.26 2.51 -0.39 3.03 0.00 -2.01 0.98 119.26 127.64 1yx0 h ALA 115 Ca -0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1yx0 h ALA 115 Cb 1.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1yx0 h ALA 115 CO 0.64 -0.73 0.10 0.66 0.00 0.00 0.00 179.25 179.91 1yx0 h SER 116 N 0.14 0.59 -1.21 0.00 4.64 -2.06 -3.21 113.55 112.44 1yx0 h SER 116 Ca 0.37 -0.23 -0.58 0.00 -0.47 0.00 0.00 61.79 60.89 1yx0 h SER 116 Cb 1.27 -0.16 -0.42 0.00 -0.31 0.00 0.00 62.40 62.78 1yx0 h SER 116 CO -0.06 0.67 -0.71 0.49 -0.87 0.00 0.00 176.83 176.35 1yx0 n PHE 117 N -4.57 3.14 0.05 4.77 0.99 0.82 -4.79 117.46 117.86 1yx0 n PHE 117 Ca -0.01 -2.74 -0.12 0.00 -0.00 0.00 0.00 57.45 54.59 1yx0 n PHE 117 Cb 0.20 -0.22 -0.09 0.00 -1.00 0.00 0.00 39.48 38.37 1yx0 n PHE 117 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1yx0 h GLU 118 N 2.42 -0.17 0.00 -1.08 4.81 0.79 -3.16 114.58 118.19 1yx0 h GLU 118 Ca 0.34 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1yx0 h GLU 118 Cb 1.16 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1yx0 h GLU 118 CO 0.83 0.29 0.00 -0.35 -0.73 0.00 0.00 179.01 179.05 1yx0 n PRO 119 N -4.92 0.13 -0.04 0.92 -0.04 -1.26 -3.43 135.00 126.35 1yx0 n PRO 119 Ca -0.08 0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1yx0 n PRO 119 Cb 0.27 -1.69 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 1yx0 n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yx0 h ALA 120 N 2.55 -0.01 -0.13 0.55 0.00 -1.88 0.79 119.26 121.14 1yx0 h ALA 120 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1yx0 h ALA 120 Cb 0.47 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1yx0 h ALA 120 CO 0.00 -0.59 -0.31 0.07 0.00 0.00 0.00 179.25 178.42 1yx0 h ARG 121 N -0.17 0.24 -0.47 0.00 0.11 -1.67 -2.45 114.38 109.98 1yx0 h ARG 121 Ca 0.13 -0.09 -0.10 0.00 0.10 0.00 0.00 59.98 60.02 1yx0 h ARG 121 Cb 0.36 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.41 1yx0 h ARG 121 CO -0.32 0.53 -0.10 0.87 0.10 0.00 0.00 179.97 181.06 1yx0 h LYS 122 N 0.21 0.84 -0.37 0.08 1.57 -1.14 -1.11 116.57 116.66 1yx0 h LYS 122 Ca 0.03 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1yx0 h LYS 122 Cb 0.66 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1yx0 h LYS 122 CO 0.05 0.90 0.01 1.25 -0.57 0.00 0.00 179.45 181.09 1yx0 h LEU 123 N 0.76 0.53 0.01 2.94 5.85 0.97 -2.43 115.31 123.94 1yx0 h LEU 123 Ca 0.13 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1yx0 h LEU 123 Cb 0.59 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1yx0 h LEU 123 CO 0.04 0.60 -0.01 1.88 -0.34 0.00 0.00 178.44 180.61 1yx0 h TYR 124 N 0.55 -0.01 -0.84 1.25 0.05 -1.05 -3.15 116.97 113.76 1yx0 h TYR 124 Ca 0.12 -0.00 0.18 0.00 0.05 0.00 0.00 58.73 59.08 1yx0 h TYR 124 Cb 0.33 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 37.97 1yx0 h TYR 124 CO 0.01 0.45 0.36 0.93 -1.05 0.00 0.00 178.16 178.86 1yx0 h GLU 125 N -0.48 0.43 0.00 4.88 5.08 -1.02 1.47 114.58 124.94 1yx0 h GLU 125 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1yx0 h GLU 125 Cb 0.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1yx0 h GLU 125 CO 0.00 0.29 0.00 1.03 -1.00 0.00 0.00 179.01 179.33 1yx0 h SER 126 N 0.45 0.00 0.78 1.42 0.87 -1.40 0.22 113.55 115.88 1yx0 h SER 126 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1yx0 h SER 126 Cb 0.85 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1yx0 h SER 126 CO -0.47 0.00 -0.94 0.33 -0.53 0.00 0.00 176.83 175.23 1yx0 n PHE 127 N -2.58 0.64 0.00 2.24 -0.00 0.50 -4.94 117.46 113.32 1yx0 n PHE 127 Ca -0.02 0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1yx0 n PHE 127 Cb 0.08 -0.72 0.00 0.00 -0.00 0.00 0.00 39.48 38.83 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx0 n GLY 128 N 1.28 1.86 3.49 7.13 0.00 0.78 -5.09 105.19 114.63 1yx0 n GLY 128 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 1yx0 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yx0 n PHE 129 N 0.00 0.34 -4.31 1.61 3.72 -1.06 -4.93 117.46 112.84 1yx0 n PHE 129 Ca 0.00 0.85 -0.24 0.00 -0.05 0.00 0.00 57.45 58.01 1yx0 n PHE 129 Cb 0.00 -2.10 -0.08 0.00 -0.94 0.00 0.00 39.48 36.36 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1yx0 s GLN 130 N -1.23 2.14 -0.01 -1.08 -1.52 -1.23 -4.34 119.66 112.39 1yx0 s GLN 130 Ca 0.62 -1.62 -0.19 0.00 -1.95 0.00 0.00 55.36 52.22 1yx0 s GLN 130 Cb -0.83 -2.02 -0.05 0.00 -0.22 0.00 0.00 33.01 29.89 1yx0 s GLN 130 CO 0.58 0.23 0.55 0.71 -0.25 0.00 0.00 175.29 177.11 1yx0 s TYR 131 N -2.44 3.69 0.10 0.91 4.12 -1.26 -2.85 117.35 119.62 1yx0 s TYR 131 Ca 0.33 1.15 -0.11 0.00 0.02 0.00 0.00 57.07 58.47 1yx0 s TYR 131 Cb -0.03 -2.55 0.01 0.00 -1.52 0.00 0.00 41.96 37.87 1yx0 s TYR 131 CO 0.19 0.40 0.25 0.00 0.02 0.00 0.00 175.55 176.42 1yx0 n GLU 133 N -0.11 -0.12 -2.47 0.00 1.02 -1.26 -3.27 120.64 114.43 1yx0 n GLU 133 Ca -0.15 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 1yx0 n GLU 133 Cb 0.63 -1.12 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1yx0 s PRO 134 N -2.24 4.48 0.00 3.49 0.04 -1.26 -4.39 135.00 135.11 1yx0 s PRO 134 Ca 0.41 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1yx0 s PRO 134 Cb -0.10 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1yx0 s PRO 134 CO 0.76 -0.16 0.00 0.34 0.04 0.00 0.00 177.00 177.98 1yx0 n PHE 135 N 3.54 0.00 -0.26 0.56 -0.00 -1.26 -4.87 117.46 115.17 1yx0 n PHE 135 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.45 1yx0 n PHE 135 Cb 0.47 0.09 -0.06 0.00 -0.00 0.00 0.00 39.48 39.98 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yx0 n ALA 136 N -2.14 -0.39 0.04 3.13 0.00 -1.26 -4.81 120.51 115.08 1yx0 n ALA 136 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1yx0 n ALA 136 Cb 0.20 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1yx0 n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx0 n ASP 137 N -4.46 -0.80 -4.70 0.00 4.64 -1.26 -5.01 116.55 104.96 1yx0 n ASP 137 Ca 0.01 0.32 -0.57 0.00 -1.38 0.00 0.00 54.79 53.17 1yx0 n ASP 137 Cb 0.16 0.99 -0.07 0.00 -1.04 0.00 0.00 41.12 41.15 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1yx0 n TYR 138 N -2.50 1.98 -0.85 -0.67 0.53 -1.26 -4.95 117.16 109.44 1yx0 n TYR 138 Ca 0.00 0.57 0.00 0.00 -1.02 0.00 0.00 57.90 57.45 1yx0 n TYR 138 Cb 0.00 -2.44 0.00 0.00 -1.03 0.00 0.00 39.34 35.87 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1yx0 n GLY 139 N 4.00 -0.22 3.36 2.72 0.00 -1.26 -4.57 105.19 109.22 1yx0 n GLY 139 Ca 0.26 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 1yx0 n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yx0 n GLU 140 N -0.37 -0.01 0.00 1.61 1.02 -1.26 -4.82 120.64 116.81 1yx0 n GLU 140 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1yx0 n GLU 140 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 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 -0.02 0.00 0.00 1.62 8.00 -1.26 -4.96 116.55 119.93 1yx0 n ASP 141 Ca 0.07 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.68 1yx0 n ASP 141 Cb 0.52 0.00 0.68 0.00 -0.02 0.00 0.00 41.12 42.30 1yx0 n ASP 141 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1yx0 n PRO 142 N -0.62 0.75 -2.86 -0.24 -0.04 -1.26 -3.99 135.00 126.74 1yx0 n PRO 142 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1yx0 n PRO 142 Cb 0.00 -1.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.98 -2.90 -3.63 3.54 3.02 -1.26 -5.12 115.26 107.93 1yx0 n ASN 143 Ca 0.17 -2.86 -0.04 0.00 -0.03 0.00 0.00 54.58 51.81 1yx0 n ASN 143 Cb 0.08 1.37 -0.07 0.00 -0.61 0.00 0.00 39.78 40.55 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1yx0 s SER 144 N 0.49 -0.74 -0.12 6.41 0.15 -1.26 -4.46 113.70 114.18 1yx0 s SER 144 Ca 0.31 1.17 -0.20 0.00 0.70 0.00 0.00 55.95 57.92 1yx0 s SER 144 Cb 0.03 1.36 0.05 0.00 -1.71 0.00 0.00 66.02 65.74 1yx0 s SER 144 CO -0.09 -0.18 0.50 0.68 1.20 0.00 0.00 173.24 175.35 1yx0 s VAL 145 N 1.59 0.01 0.23 4.45 -7.23 -1.17 -4.80 120.40 113.48 1yx0 s VAL 145 Ca -0.09 -0.12 0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1yx0 s VAL 145 Cb -0.05 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 36.09 1yx0 s VAL 145 CO -0.17 -0.07 -0.15 0.12 -0.31 0.00 0.00 175.10 174.52 1yx0 s PHE 146 N -0.46 2.45 0.02 2.82 5.36 -1.20 -2.54 117.98 124.43 1yx0 s PHE 146 Ca -0.06 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 55.66 1yx0 s PHE 146 Cb -0.03 -1.15 -0.02 0.00 -0.34 0.00 0.00 43.02 41.49 1yx0 s PHE 146 CO 0.04 0.59 -0.12 1.41 -1.46 0.00 0.00 175.22 175.67 1yx0 s MET 147 N -3.12 0.84 -0.03 10.12 1.75 -1.26 -2.22 119.30 125.38 1yx0 s MET 147 Ca 0.26 -0.59 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1yx0 s MET 147 Cb -0.07 -0.81 0.03 0.00 2.84 0.00 0.00 34.83 36.81 1yx0 s MET 147 CO 0.14 0.21 0.02 -0.08 -0.65 0.00 0.00 175.02 174.67 1yx0 s THR 148 N -0.65 0.03 0.15 10.11 -1.32 -1.13 -4.17 115.64 118.65 1yx0 s THR 148 Ca 0.01 0.20 -0.14 0.00 -1.21 0.00 0.00 61.69 60.56 1yx0 s THR 148 Cb -0.06 -0.17 -0.07 0.00 -1.51 0.00 0.00 72.50 70.69 1yx0 s THR 148 CO 0.00 0.13 0.54 -0.75 -2.21 0.00 0.00 174.62 172.34 1yx0 s LYS 149 N 1.26 3.95 -0.33 7.08 2.36 -0.37 -3.49 119.74 130.21 1yx0 s LYS 149 Ca -0.07 0.46 -0.04 0.00 -2.55 0.00 0.00 55.97 53.77 1yx0 s LYS 149 Cb -0.13 -2.91 0.05 0.00 -1.05 0.00 0.00 37.83 33.79 1yx0 s LYS 149 CO -0.03 0.47 0.06 0.21 1.55 0.00 0.00 175.35 177.61 1yx0 s LYS 150 N -2.03 2.47 0.00 4.03 2.20 -1.26 -1.56 119.74 123.59 1yx0 s LYS 150 Ca 0.38 -1.28 0.30 0.00 -0.36 0.00 0.00 55.97 55.01 1yx0 s LYS 150 Cb -0.15 -3.33 1.53 0.00 -1.51 0.00 0.00 37.83 34.38 1yx0 s LYS 150 CO 0.19 -0.68 2.02 1.28 -0.36 0.00 0.00 175.35 177.80