#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 -0.05 1.12 5.65 -1.25 -5.07 115.29 114.42 1yx0 s HIS 2 Ca 0.00 1.29 0.06 0.00 0.25 0.00 0.00 55.06 56.65 1yx0 s HIS 2 Cb 0.00 0.42 -0.02 0.00 -1.18 0.00 0.00 32.58 31.81 1yx0 s HIS 2 CO 0.00 -0.70 -0.22 0.42 -0.65 0.00 0.00 174.74 173.59 1yx0 s ILE 3 N 2.89 2.33 0.42 0.89 1.09 -1.26 -0.67 121.20 126.89 1yx0 s ILE 3 Ca 0.14 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.74 1yx0 s ILE 3 Cb -0.13 -1.86 -0.03 0.00 -1.06 0.00 0.00 42.46 39.38 1yx0 s ILE 3 CO -0.18 0.57 0.09 -0.54 -0.10 0.00 0.00 174.94 174.78 1yx0 s LYS 4 N -0.35 1.95 -0.32 2.79 1.02 0.05 -4.92 119.74 119.96 1yx0 s LYS 4 Ca 0.02 -2.18 -0.05 0.00 0.02 0.00 0.00 55.97 53.78 1yx0 s LYS 4 Cb -0.12 -0.89 0.04 0.00 -0.52 0.00 0.00 37.83 36.34 1yx0 s LYS 4 CO 0.02 -0.39 0.07 0.42 -0.92 0.00 0.00 175.35 174.55 1yx0 s ILE 5 N -3.13 3.59 -0.10 2.17 1.01 -1.26 0.16 121.20 123.64 1yx0 s ILE 5 Ca 0.22 -1.13 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1yx0 s ILE 5 Cb 0.04 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 1yx0 s ILE 5 CO 0.12 -0.11 -0.05 -0.62 0.00 0.00 0.00 174.94 174.28 1yx0 s ASP 6 N 1.38 4.74 -0.31 3.58 -1.08 -0.63 -4.93 116.67 119.43 1yx0 s ASP 6 Ca -0.02 -0.05 0.03 0.00 -0.52 0.00 0.00 52.55 52.00 1yx0 s ASP 6 Cb -0.19 -1.42 0.09 0.00 -1.46 0.00 0.00 42.92 39.94 1yx0 s ASP 6 CO 0.02 0.30 0.01 -1.81 0.52 0.00 0.00 175.17 174.20 1yx0 s ASP 7 N -0.41 4.53 -0.62 -0.34 1.11 -1.26 -3.97 116.67 115.71 1yx0 s ASP 7 Ca 0.06 -1.83 -0.19 0.00 0.18 0.00 0.00 52.55 50.77 1yx0 s ASP 7 Cb -0.12 -1.49 0.03 0.00 1.07 0.00 0.00 42.92 42.40 1yx0 s ASP 7 CO 0.02 -0.32 0.64 0.18 1.18 0.00 0.00 175.17 176.87 1yx0 n LEU 8 N 4.39 -2.93 -3.62 1.23 4.32 -1.26 -4.98 117.00 114.15 1yx0 n LEU 8 Ca -0.02 -0.44 -0.09 0.00 -0.02 0.00 0.00 56.01 55.44 1yx0 n LEU 8 Cb 0.42 -1.86 -0.06 0.00 -1.62 0.00 0.00 43.42 40.30 1yx0 n LEU 8 CO 0.20 -0.09 0.78 -0.89 -1.22 0.00 0.00 177.39 176.17 1yx0 s THR 9 N -2.28 0.00 0.00 -5.08 2.01 -1.26 -5.13 115.64 103.90 1yx0 s THR 9 Ca 0.19 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1yx0 s THR 9 Cb -0.02 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.49 1yx0 s THR 9 CO 0.87 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 1yx0 n GLY 10 N 1.63 0.56 0.18 4.40 0.00 -1.26 -4.45 105.19 106.25 1yx0 n GLY 10 Ca -0.11 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.35 -0.17 1.61 3.08 -2.00 0.78 114.38 117.33 1yx0 h ARG 11 Ca 0.00 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1yx0 h ARG 11 Cb 0.00 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1yx0 h ARG 11 CO 0.00 -0.02 -0.07 1.96 -1.07 0.00 0.00 179.97 180.76 1yx0 h GLN 12 N -0.70 0.26 -0.01 0.04 4.20 -1.97 1.36 115.11 118.29 1yx0 h GLN 12 Ca -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1yx0 h GLN 12 Cb 0.48 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1yx0 h GLN 12 CO 0.06 0.35 -0.08 0.28 -0.67 0.00 0.00 178.83 178.77 1yx0 h VAL 13 N 0.26 1.52 -0.52 -0.54 2.07 -1.83 -1.46 116.25 115.75 1yx0 h VAL 13 Ca 0.06 -1.65 -0.11 0.00 0.82 0.00 0.00 66.70 65.81 1yx0 h VAL 13 Cb 0.30 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1yx0 h VAL 13 CO 0.01 0.44 -0.12 0.58 0.02 0.00 0.00 177.57 178.50 1yx0 h VAL 14 N -0.56 1.27 -0.51 2.57 2.07 0.89 -1.23 116.25 120.75 1yx0 h VAL 14 Ca -0.01 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1yx0 h VAL 14 Cb 0.77 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1yx0 h VAL 14 CO 0.02 0.44 0.33 0.28 0.02 0.00 0.00 177.57 178.66 1yx0 h SER 15 N 0.87 0.58 -0.47 0.57 0.02 0.18 0.38 113.55 115.67 1yx0 h SER 15 Ca 0.13 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1yx0 h SER 15 Cb 0.67 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1yx0 h SER 15 CO 0.05 0.42 0.20 0.25 -1.14 0.00 0.00 176.83 176.61 1yx0 h LEU 16 N 0.68 0.64 -1.82 5.07 5.85 -1.05 0.85 115.31 125.54 1yx0 h LEU 16 Ca 0.18 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1yx0 h LEU 16 Cb -0.08 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 1yx0 h LEU 16 CO -0.04 0.62 -0.11 0.58 -0.34 0.00 0.00 178.44 179.15 1yx0 h VAL 17 N 0.62 0.42 0.00 1.05 2.07 -0.67 -3.24 116.25 116.49 1yx0 h VAL 17 Ca 0.16 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1yx0 h VAL 17 Cb 0.17 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1yx0 h VAL 17 CO -0.02 0.11 -0.06 0.78 0.02 0.00 0.00 177.57 178.40 1yx0 h ASN 18 N 0.00 0.00 -0.10 0.57 2.35 0.10 -3.49 115.58 115.01 1yx0 h ASN 18 Ca -0.00 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 56.02 1yx0 h ASN 18 Cb 0.40 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.57 1yx0 h ASN 18 CO 0.01 0.19 0.18 -1.83 -1.65 0.00 0.00 177.43 174.33 1yx0 s GLU 19 N -1.26 0.06 -0.17 0.81 -1.05 0.28 -5.05 118.70 112.32 1yx0 s GLU 19 Ca -0.02 0.09 -0.14 0.00 -0.15 0.00 0.00 54.97 54.75 1yx0 s GLU 19 Cb 0.00 0.04 -0.07 0.00 -0.44 0.00 0.00 34.13 33.66 1yx0 s GLU 19 CO 0.03 -0.08 -0.14 1.58 0.95 0.00 0.00 175.26 177.59 1yx0 n HIS 20 N 5.30 0.73 0.04 4.83 -0.00 -1.24 -4.69 115.22 120.18 1yx0 n HIS 20 Ca -0.01 0.32 -0.03 0.00 0.46 0.00 0.00 57.72 58.46 1yx0 n HIS 20 Cb 0.56 -0.81 -0.02 0.00 -0.12 0.00 0.00 29.99 29.61 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 -0.17 -2.43 0.27 4.07 -1.92 -3.48 115.31 110.64 1yx0 h LEU 21 Ca -0.12 -0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.33 1yx0 h LEU 21 Cb 0.83 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 1yx0 h LEU 21 CO -0.07 0.31 -0.92 1.57 -1.08 0.00 0.00 178.44 178.24 1yx0 n HIS 22 N -4.91 -1.65 -0.76 1.13 -0.00 -1.26 -4.87 115.22 102.89 1yx0 n HIS 22 Ca -0.03 0.60 -0.32 0.00 0.46 0.00 0.00 57.72 58.43 1yx0 n HIS 22 Cb 0.08 -3.51 0.14 0.00 -0.12 0.00 0.00 29.99 26.58 1yx0 n HIS 22 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1yx0 n SER 23 N -2.82 -1.31 -4.86 0.26 3.41 -1.26 -4.97 113.62 102.06 1yx0 n SER 23 Ca -0.24 0.36 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 1yx0 n SER 23 Cb 0.65 -1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 1yx0 n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yx0 s MET 24 N -3.94 3.73 -0.07 4.33 0.23 -1.26 -5.07 119.30 117.24 1yx0 s MET 24 Ca 0.60 0.74 -0.02 0.00 -1.03 0.00 0.00 55.69 55.99 1yx0 s MET 24 Cb -0.22 -2.15 -0.03 0.00 -1.53 0.00 0.00 34.83 30.89 1yx0 s MET 24 CO 0.64 -0.39 0.01 0.95 -2.03 0.00 0.00 175.02 174.20 1yx0 s THR 25 N -2.88 4.36 -0.71 3.16 -4.23 -1.26 -4.98 115.64 109.09 1yx0 s THR 25 Ca 0.55 -0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.86 1yx0 s THR 25 Cb -0.10 -2.85 0.15 0.00 1.34 0.00 0.00 72.50 71.03 1yx0 s THR 25 CO 0.44 0.57 1.02 0.00 -0.54 0.00 0.00 174.62 176.11 1yx0 n LEU 26 N 2.01 2.27 -3.51 4.79 -0.00 -1.26 -4.93 117.00 116.37 1yx0 n LEU 26 Ca -0.18 -1.66 0.00 0.00 -0.00 0.00 0.00 56.01 54.17 1yx0 n LEU 26 Cb 0.54 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.82 1yx0 n LEU 26 CO 0.29 0.54 0.24 -0.32 -0.00 0.00 0.00 177.39 178.15 1yx0 s MET 27 N -0.87 0.57 -0.32 1.47 1.75 -1.26 -5.12 119.30 115.52 1yx0 s MET 27 Ca 0.13 1.32 0.00 0.00 -1.25 0.00 0.00 55.69 55.89 1yx0 s MET 27 Cb 0.07 0.78 0.14 0.00 2.84 0.00 0.00 34.83 38.66 1yx0 s MET 27 CO 0.10 -0.31 0.27 -1.54 -0.65 0.00 0.00 175.02 172.89 1yx0 s SER 28 N 2.88 2.08 0.54 1.11 1.04 -1.26 -5.14 113.70 114.95 1yx0 s SER 28 Ca 0.01 -1.33 -0.18 0.00 0.48 0.00 0.00 55.95 54.94 1yx0 s SER 28 Cb -0.13 0.22 -0.06 0.00 0.10 0.00 0.00 66.02 66.15 1yx0 s SER 28 CO -0.19 -0.35 1.04 -2.16 0.98 0.00 0.00 173.24 172.56 1yx0 s PRO 29 N 1.83 3.57 -0.19 4.02 0.04 -1.26 -4.98 135.00 138.03 1yx0 s PRO 29 Ca 0.13 1.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1yx0 s PRO 29 Cb -0.16 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1yx0 s PRO 29 CO -0.20 -0.61 1.29 -1.25 0.04 0.00 0.00 177.00 176.27 1yx0 s PRO 30 N -3.74 4.17 0.04 0.56 0.04 -1.26 -4.52 135.00 130.29 1yx0 s PRO 30 Ca 0.65 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1yx0 s PRO 30 Cb -0.16 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1yx0 s PRO 30 CO 0.30 -0.80 0.00 0.39 0.04 0.00 0.00 177.00 176.93 1yx0 n GLU 31 N 6.77 0.00 -3.14 4.56 1.02 -1.26 -5.07 120.64 123.52 1yx0 n GLU 31 Ca 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.23 1yx0 n GLU 31 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.85 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1yx0 s SER 32 N -1.24 -0.79 -0.58 1.62 1.04 -1.26 -5.00 113.70 107.48 1yx0 s SER 32 Ca 0.00 -1.32 0.01 0.00 0.48 0.00 0.00 55.95 55.12 1yx0 s SER 32 Cb 0.00 1.52 0.43 0.00 0.10 0.00 0.00 66.02 68.08 1yx0 s SER 32 CO 0.00 -0.16 1.73 0.00 0.98 0.00 0.00 173.24 175.79 1yx0 n ILE 33 N 3.92 3.23 -2.74 -1.02 3.06 -1.26 -4.62 119.36 119.92 1yx0 n ILE 33 Ca 0.14 -3.70 -0.07 0.00 -2.50 0.00 0.00 62.75 56.61 1yx0 n ILE 33 Cb 0.54 -1.18 0.05 0.00 0.54 0.00 0.00 39.64 39.59 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 -0.75 -2.93 -3.65 9.51 -0.00 -1.26 -5.12 115.22 111.01 1yx0 n HIS 34 Ca 0.54 -1.58 -0.03 0.00 0.46 0.00 0.00 57.72 57.11 1yx0 n HIS 34 Cb 0.66 1.50 -0.05 0.00 -0.12 0.00 0.00 29.99 31.97 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 0.62 -1.89 0.24 1.57 0.00 -1.26 -5.05 121.76 115.98 1yx0 s ALA 35 Ca 0.31 2.24 0.00 0.00 0.00 0.00 0.00 51.96 54.51 1yx0 s ALA 35 Cb 0.22 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.69 1yx0 s ALA 35 CO -0.22 -0.80 0.00 -0.11 0.00 0.00 0.00 175.76 174.63 1yx0 n LEU 36 N 5.23 -0.28 0.00 0.00 7.94 -1.26 -5.10 117.00 123.53 1yx0 n LEU 36 Ca -0.13 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1yx0 n LEU 36 Cb 0.51 0.45 0.00 0.00 0.53 0.00 0.00 43.42 44.91 1yx0 n LEU 36 CO -0.03 -0.70 0.00 0.61 -1.11 0.00 0.00 177.39 176.16 1yx0 n GLY 37 N 1.38 0.19 0.27 -3.96 0.00 -1.26 -5.05 105.19 96.76 1yx0 n GLY 37 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 -0.61 -4.69 0.99 4.07 -2.00 -2.64 115.31 110.42 1yx0 h LEU 38 Ca 0.00 0.05 -0.49 0.00 0.08 0.00 0.00 57.88 57.52 1yx0 h LEU 38 Cb 0.00 0.20 -0.09 0.00 1.08 0.00 0.00 40.66 41.86 1yx0 h LEU 38 CO 0.00 -0.34 1.32 1.21 -1.08 0.00 0.00 178.44 179.55 1yx0 n GLU 39 N -5.35 3.01 0.00 1.13 2.13 -1.26 -3.77 120.64 116.52 1yx0 n GLU 39 Ca -0.09 -2.12 0.00 0.00 0.66 0.00 0.00 57.16 55.62 1yx0 n GLU 39 Cb 0.26 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yx0 n LYS 40 N 2.15 0.00 -0.07 5.31 4.81 -1.00 -4.86 118.16 124.50 1yx0 n LYS 40 Ca 0.56 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.95 1yx0 n LYS 40 Cb 0.53 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.74 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yx0 h LEU 41 N 0.00 0.70 -5.60 3.14 4.07 -1.71 -3.21 115.31 112.69 1yx0 h LEU 41 Ca 0.00 -0.20 -0.72 0.00 0.08 0.00 0.00 57.88 57.04 1yx0 h LEU 41 Cb 0.00 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.48 1yx0 h LEU 41 CO 0.00 0.84 2.90 0.54 -1.08 0.00 0.00 178.44 181.64 1yx0 n ARG 42 N -4.17 3.97 -2.98 1.13 1.74 -1.25 -4.86 116.66 110.24 1yx0 n ARG 42 Ca 0.01 -2.98 -0.09 0.00 -0.77 0.00 0.00 57.85 54.03 1yx0 n ARG 42 Cb 0.36 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 28.96 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yx0 n GLY 43 N 2.74 3.43 3.77 -0.13 0.00 -1.21 -4.85 105.19 108.93 1yx0 n GLY 43 Ca 0.63 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1yx0 n GLY 43 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yx0 s PRO 44 N -2.59 0.00 -1.59 1.61 0.04 -1.26 -4.00 135.00 127.21 1yx0 s PRO 44 Ca 0.18 -0.14 -0.08 0.00 0.04 0.00 0.00 61.00 61.00 1yx0 s PRO 44 Cb 0.01 -1.75 0.08 0.00 0.04 0.00 0.00 34.50 32.88 1yx0 s PRO 44 CO 0.13 -2.89 0.19 -0.85 0.04 0.00 0.00 177.00 173.62 1yx0 n GLU 45 N -4.16 -0.87 -4.54 4.56 0.28 -1.26 -4.90 120.64 109.75 1yx0 n GLU 45 Ca 0.13 0.10 -0.21 0.00 -0.16 0.00 0.00 57.16 57.02 1yx0 n GLU 45 Cb 0.59 -3.78 -0.15 0.00 1.43 0.00 0.00 31.44 29.53 1yx0 n GLU 45 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1yx0 s ILE 46 N -3.93 0.96 -0.03 3.84 -1.09 -1.26 -4.73 121.20 114.97 1yx0 s ILE 46 Ca 0.27 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1yx0 s ILE 46 Cb -0.16 -0.81 0.02 0.00 -1.58 0.00 0.00 42.46 39.94 1yx0 s ILE 46 CO 0.96 0.27 -0.01 -0.89 -1.23 0.00 0.00 174.94 174.05 1yx0 s THR 47 N -0.20 0.24 -0.21 2.92 2.01 -1.24 -5.03 115.64 114.13 1yx0 s THR 47 Ca 0.03 0.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1yx0 s THR 47 Cb -0.06 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 1yx0 s THR 47 CO -0.00 0.15 0.01 0.12 -0.69 0.00 0.00 174.62 174.21 1yx0 s PHE 48 N 0.85 3.05 -0.18 4.92 2.19 -1.25 -2.32 117.98 125.23 1yx0 s PHE 48 Ca -0.09 -0.44 -0.12 0.00 0.33 0.00 0.00 56.93 56.62 1yx0 s PHE 48 Cb -0.12 -2.10 -0.05 0.00 -1.31 0.00 0.00 43.02 39.43 1yx0 s PHE 48 CO -0.01 -0.24 0.20 -1.58 1.83 0.00 0.00 175.22 175.41 1yx0 s TRP 49 N 1.06 3.43 0.20 10.12 0.51 0.26 -1.60 118.94 132.93 1yx0 s TRP 49 Ca 0.02 0.44 0.04 0.00 -2.12 0.00 0.00 56.10 54.49 1yx0 s TRP 49 Cb -0.14 -2.23 -0.03 0.00 -0.81 0.00 0.00 33.47 30.25 1yx0 s TRP 49 CO 0.02 0.27 0.31 -1.12 -0.51 0.00 0.00 176.95 175.93 1yx0 s SER 50 N 0.38 6.24 -0.13 2.95 0.01 0.43 0.49 113.70 124.07 1yx0 s SER 50 Ca 0.12 0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.44 1yx0 s SER 50 Cb -0.12 -1.83 0.04 0.00 0.21 0.00 0.00 66.02 64.32 1yx0 s SER 50 CO 0.00 -0.02 -0.02 0.00 0.41 0.00 0.00 173.24 173.62 1yx0 s ALA 51 N -1.89 1.09 -0.21 1.44 0.00 0.26 -0.77 121.76 121.68 1yx0 s ALA 51 Ca 0.34 -0.53 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 1yx0 s ALA 51 Cb -0.10 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1yx0 s ALA 51 CO 0.28 -0.71 -0.10 -1.58 0.00 0.00 0.00 175.76 173.65 1yx0 s TRP 52 N 1.81 2.93 -0.87 0.00 0.52 0.15 0.18 118.94 123.66 1yx0 s TRP 52 Ca 0.02 -1.35 -0.00 0.00 0.02 0.00 0.00 56.10 54.79 1yx0 s TRP 52 Cb -0.14 -2.03 0.24 0.00 -1.15 0.00 0.00 33.47 30.39 1yx0 s TRP 52 CO -0.07 -0.69 0.86 -1.91 0.02 0.00 0.00 176.95 175.17 1yx0 n GLU 53 N 4.70 2.84 0.00 4.98 2.13 -1.09 -3.79 120.64 130.41 1yx0 n GLU 53 Ca -0.19 -4.53 0.00 0.00 0.66 0.00 0.00 57.16 53.10 1yx0 n GLU 53 Cb 0.50 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.81 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx0 n GLY 54 N 1.87 0.18 0.00 8.31 0.00 -1.26 -4.52 105.19 109.77 1yx0 n GLY 54 Ca 0.24 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.80 1yx0 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yx0 n ASP 55 N 0.00 0.87 -4.55 1.61 8.00 -1.26 -4.94 116.55 116.29 1yx0 n ASP 55 Ca 0.00 -0.81 -0.24 0.00 0.71 0.00 0.00 54.79 54.45 1yx0 n ASP 55 Cb 0.00 0.88 -0.09 0.00 -0.02 0.00 0.00 41.12 41.89 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1yx0 s GLU 56 N -3.02 1.90 0.43 -1.24 2.02 -1.26 -5.11 118.70 112.42 1yx0 s GLU 56 Ca 0.08 -1.72 -0.25 0.00 0.02 0.00 0.00 54.97 53.11 1yx0 s GLU 56 Cb 0.16 -1.87 -0.08 0.00 0.10 0.00 0.00 34.13 32.45 1yx0 s GLU 56 CO 0.84 0.27 1.24 -0.48 0.02 0.00 0.00 175.26 177.15 1yx0 s LEU 57 N -3.59 4.12 -0.18 1.80 -0.00 -1.26 -2.68 118.68 116.88 1yx0 s LEU 57 Ca 0.31 2.49 0.12 0.00 -0.00 0.00 0.00 54.13 57.05 1yx0 s LEU 57 Cb -0.03 -4.06 -0.19 0.00 -0.00 0.00 0.00 46.19 41.90 1yx0 s LEU 57 CO 0.17 -0.90 0.00 0.00 -0.00 0.00 0.00 176.35 175.62 1yx0 n ALA 58 N -0.17 1.57 0.00 1.48 0.00 0.49 -4.66 120.51 119.23 1yx0 n ALA 58 Ca 0.05 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1yx0 n ALA 58 Cb 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.82 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 2.08 -1.34 1.71 0.00 0.00 0.84 -4.72 105.19 103.76 1yx0 n GLY 59 Ca -0.30 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.20 -0.03 0.16 0.00 0.00 0.18 -4.41 107.32 101.02 1yx0 s GLY 61 Ca 0.20 2.53 0.07 0.00 0.00 0.00 0.00 44.72 47.52 1yx0 s GLY 61 CO 0.14 1.03 -0.04 0.00 0.00 0.00 0.00 173.10 174.23 1yx0 s ALA 62 N -1.18 3.11 -0.23 3.20 0.00 -1.26 0.90 121.76 126.30 1yx0 s ALA 62 Ca 0.07 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1yx0 s ALA 62 Cb -0.01 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.27 1yx0 s ALA 62 CO -0.05 0.51 0.55 -1.17 0.00 0.00 0.00 175.76 175.60 1yx0 s LEU 63 N -2.78 -0.66 -0.03 0.00 0.20 -0.98 -4.04 118.68 110.39 1yx0 s LEU 63 Ca 0.26 1.24 0.04 0.00 0.69 0.00 0.00 54.13 56.36 1yx0 s LEU 63 Cb -0.10 1.87 -0.00 0.00 -0.43 0.00 0.00 46.19 47.53 1yx0 s LEU 63 CO 0.17 -0.22 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.12 1yx0 s LYS 64 N 1.93 1.33 0.49 1.98 2.20 -1.23 -3.62 119.74 122.82 1yx0 s LYS 64 Ca -0.08 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 54.81 1yx0 s LYS 64 Cb -0.08 -1.21 -0.07 0.00 -1.51 0.00 0.00 37.83 34.95 1yx0 s LYS 64 CO -0.16 0.22 1.38 -1.21 -0.36 0.00 0.00 175.35 175.21 1yx0 s GLU 65 N -0.03 3.48 0.04 4.03 2.02 -1.26 -3.95 118.70 123.04 1yx0 s GLU 65 Ca -0.01 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.27 1yx0 s GLU 65 Cb -0.09 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1yx0 s GLU 65 CO 0.01 -0.94 0.00 1.28 0.02 0.00 0.00 175.26 175.63 1yx0 n LEU 66 N -0.53 0.19 0.00 1.80 4.32 -1.20 -4.97 117.00 116.60 1yx0 n LEU 66 Ca 0.07 0.07 -0.19 0.00 -0.02 0.00 0.00 56.01 55.94 1yx0 n LEU 66 Cb 0.44 -0.03 -0.05 0.00 -1.62 0.00 0.00 43.42 42.16 1yx0 n LEU 66 CO 0.55 -0.57 -0.13 0.47 -1.22 0.00 0.00 177.39 176.49 1yx0 n ASP 67 N -2.77 1.90 0.21 -1.43 8.00 -0.94 -4.97 116.55 116.55 1yx0 n ASP 67 Ca 0.00 -2.50 0.05 0.00 0.71 0.00 0.00 54.79 53.04 1yx0 n ASP 67 Cb 0.00 0.51 0.45 0.00 -0.02 0.00 0.00 41.12 42.06 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yx0 h THR 68 N 1.34 1.14 -0.22 -3.53 1.03 -2.00 -3.21 112.91 107.46 1yx0 h THR 68 Ca -0.25 -0.96 -0.21 0.00 -0.01 0.00 0.00 66.41 64.99 1yx0 h THR 68 Cb 0.85 1.52 -0.39 0.00 -1.07 0.00 0.00 68.15 69.06 1yx0 h THR 68 CO 0.40 0.27 -1.07 0.54 -0.01 0.00 0.00 175.52 175.65 1yx0 n ARG 69 N -4.13 0.90 -4.24 0.00 1.74 -1.26 -4.73 116.66 104.94 1yx0 n ARG 69 Ca -0.02 -2.77 -0.19 0.00 -0.77 0.00 0.00 57.85 54.10 1yx0 n ARG 69 Cb 0.33 -0.83 -0.16 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.97 0.76 0.12 -1.55 2.46 -1.22 -2.82 115.29 111.07 1yx0 s HIS 70 Ca 0.30 -0.19 0.05 0.00 0.47 0.00 0.00 55.06 55.69 1yx0 s HIS 70 Cb 0.35 -0.60 -0.04 0.00 -0.13 0.00 0.00 32.58 32.16 1yx0 s HIS 70 CO -0.10 -0.13 -0.12 0.20 -2.47 0.00 0.00 174.74 172.12 1yx0 s GLY 71 N 0.50 0.99 -0.00 1.59 0.00 -1.17 -2.21 107.32 107.02 1yx0 s GLY 71 Ca -0.07 -1.27 -0.00 0.00 0.00 0.00 0.00 44.72 43.38 1yx0 s GLY 71 CO 0.00 -1.34 0.01 1.85 0.00 0.00 0.00 173.10 173.62 1yx0 s GLU 72 N -2.81 0.04 0.04 2.90 -6.30 -1.25 0.18 118.70 111.50 1yx0 s GLU 72 Ca 0.08 -0.05 0.08 0.00 -2.50 0.00 0.00 54.97 52.59 1yx0 s GLU 72 Cb -0.04 0.02 -0.03 0.00 0.00 0.00 0.00 34.13 34.08 1yx0 s GLU 72 CO 0.02 -0.01 -0.23 0.42 0.02 0.00 0.00 175.26 175.48 1yx0 s ILE 73 N -0.14 2.40 -0.43 -3.70 1.09 -1.19 -3.52 121.20 115.71 1yx0 s ILE 73 Ca -0.02 -1.29 0.08 0.00 -1.10 0.00 0.00 60.65 58.32 1yx0 s ILE 73 Cb -0.01 -1.96 0.29 0.00 -1.06 0.00 0.00 42.46 39.72 1yx0 s ILE 73 CO -0.00 0.37 0.82 2.29 -0.10 0.00 0.00 174.94 178.32 1yx0 n LYS 74 N 1.73 0.87 0.00 2.79 0.00 -1.26 -3.86 118.16 118.43 1yx0 n LYS 74 Ca -0.17 -2.55 0.00 0.00 -0.00 0.00 0.00 58.31 55.60 1yx0 n LYS 74 Cb 0.52 -1.35 0.00 0.00 -0.00 0.00 0.00 35.03 34.20 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1yx0 n SER 75 N 0.93 0.00 0.00 -5.58 7.64 -1.26 -4.70 113.62 110.65 1yx0 n SER 75 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1yx0 n SER 75 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1yx0 n SER 75 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1yx0 n MET 76 N -0.45 0.00 -4.34 1.43 2.81 -1.26 -4.13 117.12 111.17 1yx0 n MET 76 Ca 0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.64 1yx0 n MET 76 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.42 1yx0 n MET 76 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1yx0 s ARG 77 N -0.04 1.99 0.12 0.03 1.81 -1.26 -5.09 118.95 116.51 1yx0 s ARG 77 Ca 0.00 -1.44 -0.16 0.00 -1.72 0.00 0.00 55.73 52.41 1yx0 s ARG 77 Cb 0.00 -2.05 0.04 0.00 -0.45 0.00 0.00 34.95 32.49 1yx0 s ARG 77 CO 0.00 0.39 0.41 0.99 -0.68 0.00 0.00 175.30 176.41 1yx0 s THR 78 N -2.03 0.07 0.00 0.02 2.01 -1.26 -3.91 115.64 110.53 1yx0 s THR 78 Ca 0.27 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1yx0 s THR 78 Cb -0.07 -1.15 0.00 0.00 0.01 0.00 0.00 72.50 71.28 1yx0 s THR 78 CO 0.16 -0.31 0.00 -0.24 -0.69 0.00 0.00 174.62 173.54 1yx0 n SER 79 N -0.20 0.00 0.00 3.53 2.88 -1.26 -4.95 113.62 113.62 1yx0 n SER 79 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1yx0 n SER 79 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx0 n ALA 80 N 0.00 0.00 -0.15 -1.46 0.00 -1.26 -2.93 120.51 114.71 1yx0 n ALA 80 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1yx0 n ALA 80 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yx0 h SER 81 N 3.47 -0.92 0.00 0.00 0.02 -1.94 -3.43 113.55 110.75 1yx0 h SER 81 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1yx0 h SER 81 Cb 0.00 0.40 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1yx0 h SER 81 CO 0.00 -0.12 0.00 1.57 -1.14 0.00 0.00 176.83 177.14 1yx0 n HIS 82 N -3.96 0.00 -4.18 3.45 -0.00 -1.21 -5.15 115.22 104.18 1yx0 n HIS 82 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 1yx0 n HIS 82 Cb 0.12 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 29.87 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.48 0.46 0.00 0.00 176.34 176.32 1yx0 s LEU 83 N 0.00 2.29 -0.06 0.27 0.05 -1.15 -5.15 118.68 114.93 1yx0 s LEU 83 Ca 0.00 -0.63 0.04 0.00 0.05 0.00 0.00 54.13 53.58 1yx0 s LEU 83 Cb 0.00 -0.52 0.00 0.00 -2.05 0.00 0.00 46.19 43.63 1yx0 s LEU 83 CO 0.00 -0.08 -0.16 0.00 -0.55 0.00 0.00 176.35 175.55 1yx0 s ARG 84 N -1.83 1.90 0.00 1.48 3.03 -1.26 -4.65 118.95 117.62 1yx0 s ARG 84 Ca -0.01 -0.57 0.00 0.00 2.03 0.00 0.00 55.73 57.18 1yx0 s ARG 84 Cb -0.09 -1.58 0.00 0.00 -1.03 0.00 0.00 34.95 32.24 1yx0 s ARG 84 CO 0.02 0.16 0.00 1.17 -1.13 0.00 0.00 175.30 175.52 1yx0 n LYS 85 N 3.42 0.00 0.00 3.89 4.81 -1.26 -5.05 118.16 123.97 1yx0 n LYS 85 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 1yx0 n LYS 85 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 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 -0.51 0.43 3.14 0.00 -1.26 -4.99 105.19 102.00 1yx0 n GLY 86 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.93 1.61 2.07 -1.87 1.22 116.25 118.34 1yx0 h VAL 87 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1yx0 h VAL 87 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.69 1yx0 h VAL 87 CO 0.00 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.16 1yx0 h ALA 88 N -0.37 1.37 -0.57 1.67 0.00 -1.90 0.61 119.26 120.07 1yx0 h ALA 88 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1yx0 h ALA 88 Cb 0.62 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1yx0 h ALA 88 CO -0.42 0.19 0.36 0.87 0.00 0.00 0.00 179.25 180.25 1yx0 h LYS 89 N 0.93 0.70 0.06 0.00 1.57 -1.23 1.42 116.57 120.01 1yx0 h LYS 89 Ca 0.45 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1yx0 h LYS 89 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1yx0 h LYS 89 CO -0.25 0.46 -0.03 1.96 -0.57 0.00 0.00 179.45 181.02 1yx0 h GLN 90 N 0.72 -0.07 0.39 3.15 1.08 0.34 0.15 115.11 120.87 1yx0 h GLN 90 Ca 0.22 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1yx0 h GLN 90 Cb -0.03 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1yx0 h GLN 90 CO -0.07 -0.01 -0.19 0.28 -0.95 0.00 0.00 178.83 177.89 1yx0 h VAL 91 N -0.11 0.60 -1.21 -0.54 2.07 -0.59 -2.39 116.25 114.08 1yx0 h VAL 91 Ca -0.01 -0.39 0.35 0.00 0.82 0.00 0.00 66.70 67.46 1yx0 h VAL 91 Cb 0.09 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1yx0 h VAL 91 CO 0.01 0.07 0.83 0.25 0.02 0.00 0.00 177.57 178.75 1yx0 h LEU 92 N -0.75 0.19 -0.42 2.57 5.85 0.20 1.03 115.31 123.97 1yx0 h LEU 92 Ca -0.05 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1yx0 h LEU 92 Cb 0.52 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1yx0 h LEU 92 CO 0.09 0.00 0.01 -0.61 -0.34 0.00 0.00 178.44 177.59 1yx0 h GLN 93 N 0.15 0.73 -0.12 1.25 4.15 -0.47 -1.61 115.11 119.19 1yx0 h GLN 93 Ca 0.64 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.70 1yx0 h GLN 93 Cb 2.15 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.76 1yx0 h GLN 93 CO -0.16 0.81 -0.47 1.25 -1.93 0.00 0.00 178.83 178.33 1yx0 h HIS 94 N 0.57 0.36 0.09 3.99 2.76 0.13 0.12 115.15 123.16 1yx0 h HIS 94 Ca 0.12 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1yx0 h HIS 94 Cb 0.47 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1yx0 h HIS 94 CO 0.04 0.71 -0.04 0.82 -1.30 0.00 0.00 177.93 178.16 1yx0 h ILE 95 N 0.24 0.94 -0.35 6.26 1.08 -0.30 1.13 117.51 126.52 1yx0 h ILE 95 Ca 0.01 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1yx0 h ILE 95 Cb 0.92 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1yx0 h ILE 95 CO 0.08 0.02 -0.13 0.40 -0.69 0.00 0.00 178.15 177.83 1yx0 h ILE 96 N -0.16 1.28 -0.20 -0.67 2.04 -1.20 -2.28 117.51 116.32 1yx0 h ILE 96 Ca -0.01 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1yx0 h ILE 96 Cb 0.13 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1yx0 h ILE 96 CO 0.02 0.40 0.13 -0.33 0.00 0.00 0.00 178.15 178.36 1yx0 h GLU 97 N 0.48 0.25 -0.64 2.37 3.07 -0.53 0.49 114.58 120.08 1yx0 h GLU 97 Ca 0.08 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.01 1yx0 h GLU 97 Cb 0.65 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.44 1yx0 h GLU 97 CO 0.04 0.17 0.29 0.93 -1.40 0.00 0.00 179.01 179.04 1yx0 h GLU 98 N 0.26 0.49 -0.03 2.33 4.39 0.14 0.15 114.58 122.31 1yx0 h GLU 98 Ca 0.08 -0.03 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1yx0 h GLU 98 Cb -0.02 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1yx0 h GLU 98 CO -0.03 0.33 -0.54 0.00 -1.16 0.00 0.00 179.01 177.62 1yx0 h ALA 99 N 1.41 1.06 -0.32 3.43 0.00 -0.93 -2.70 119.26 121.20 1yx0 h ALA 99 Ca 0.32 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1yx0 h ALA 99 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yx0 h ALA 99 CO -0.27 0.67 0.13 0.93 0.00 0.00 0.00 179.25 180.71 1yx0 h GLU 100 N 0.06 0.47 0.05 0.00 5.08 0.24 0.28 114.58 120.76 1yx0 h GLU 100 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1yx0 h GLU 100 Cb 0.97 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1yx0 h GLU 100 CO 0.07 0.47 -0.04 0.87 -1.00 0.00 0.00 179.01 179.38 1yx0 h LYS 101 N 0.36 -0.10 -0.80 2.33 1.57 -0.71 -2.43 116.57 116.79 1yx0 h LYS 101 Ca 0.11 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1yx0 h LYS 101 Cb 0.17 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1yx0 h LYS 101 CO -0.01 -0.07 0.49 0.00 -0.57 0.00 0.00 179.45 179.30 1yx0 h ARG 102 N -0.10 0.89 0.00 3.15 2.47 -1.32 -3.47 114.38 116.01 1yx0 h ARG 102 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1yx0 h ARG 102 Cb 0.10 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1yx0 h ARG 102 CO -0.01 0.59 0.00 0.41 0.56 0.00 0.00 179.97 181.52 1yx0 n GLY 103 N -1.32 0.75 3.93 0.04 0.00 0.56 -5.11 105.19 104.05 1yx0 n GLY 103 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1yx0 n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yx0 s TYR 104 N -0.56 3.34 -0.00 1.61 4.12 0.67 -4.77 117.35 121.76 1yx0 s TYR 104 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 57.07 57.62 1yx0 s TYR 104 Cb 0.00 -2.42 0.01 0.00 -1.52 0.00 0.00 41.96 38.03 1yx0 s TYR 104 CO 0.00 -0.45 0.65 0.39 0.02 0.00 0.00 175.55 176.16 1yx0 n GLU 105 N -2.27 0.54 -3.52 -0.62 1.02 -1.18 -4.81 120.64 109.79 1yx0 n GLU 105 Ca 0.02 -0.77 -0.17 0.00 -0.02 0.00 0.00 57.16 56.21 1yx0 n GLU 105 Cb 0.57 -0.61 -0.06 0.00 -0.02 0.00 0.00 31.44 31.32 1yx0 n GLU 105 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1yx0 s ARG 106 N -0.24 1.06 -0.08 3.49 6.06 -1.13 -3.48 118.95 124.63 1yx0 s ARG 106 Ca 0.01 0.19 -0.04 0.00 -2.50 0.00 0.00 55.73 53.40 1yx0 s ARG 106 Cb 0.01 0.50 0.04 0.00 0.06 0.00 0.00 34.95 35.56 1yx0 s ARG 106 CO 0.00 -0.34 0.18 -0.51 -2.50 0.00 0.00 175.30 172.13 1yx0 s LEU 107 N -1.30 0.60 0.37 -0.88 1.02 -0.18 -3.07 118.68 115.23 1yx0 s LEU 107 Ca -0.10 0.38 0.07 0.00 0.02 0.00 0.00 54.13 54.50 1yx0 s LEU 107 Cb -0.00 0.49 -0.00 0.00 0.02 0.00 0.00 46.19 46.69 1yx0 s LEU 107 CO 0.08 -0.16 0.49 -0.44 0.02 0.00 0.00 176.35 176.34 1yx0 s SER 108 N 1.23 5.75 0.18 2.29 0.01 0.47 -0.30 113.70 123.33 1yx0 s SER 108 Ca -0.09 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 56.63 1yx0 s SER 108 Cb -0.11 -0.96 0.05 0.00 0.21 0.00 0.00 66.02 65.20 1yx0 s SER 108 CO -0.07 -0.56 0.58 -1.48 0.41 0.00 0.00 173.24 172.12 1yx0 s LEU 109 N -4.22 -0.24 -0.38 2.44 2.34 -1.26 -3.18 118.68 114.18 1yx0 s LEU 109 Ca 0.48 -0.26 -0.10 0.00 0.06 0.00 0.00 54.13 54.31 1yx0 s LEU 109 Cb -0.09 2.42 0.03 0.00 -0.56 0.00 0.00 46.19 47.99 1yx0 s LEU 109 CO 0.31 -1.04 0.20 -1.83 -1.06 0.00 0.00 176.35 172.94 1yx0 s GLU 110 N -3.81 2.78 0.00 1.48 -1.05 -1.25 -4.40 118.70 112.45 1yx0 s GLU 110 Ca 0.05 -1.13 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 1yx0 s GLU 110 Cb -0.01 -3.72 0.00 0.00 -0.44 0.00 0.00 34.13 29.96 1yx0 s GLU 110 CO -0.07 -0.72 0.00 0.25 0.95 0.00 0.00 175.26 175.67 1yx0 n THR 111 N 4.98 0.00 0.00 1.83 -2.24 -1.26 -5.03 114.28 112.56 1yx0 n THR 111 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1yx0 n THR 111 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1yx0 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx0 n GLY 112 N 3.43 -1.49 2.66 3.38 0.00 -0.27 -4.73 105.19 108.18 1yx0 n GLY 112 Ca 0.00 0.57 -0.03 0.00 0.00 0.00 0.00 46.02 46.56 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yx0 s SER 113 N -4.00 -0.06 0.29 1.61 1.04 -1.26 0.78 113.70 112.11 1yx0 s SER 113 Ca 0.00 -0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1yx0 s SER 113 Cb 0.00 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1yx0 s SER 113 CO 0.00 -0.00 0.16 -0.04 0.98 0.00 0.00 173.24 174.33 1yx0 s MET 114 N 1.03 1.56 0.12 4.02 1.00 -1.26 -4.96 119.30 120.80 1yx0 s MET 114 Ca 0.22 -1.88 -0.05 0.00 0.00 0.00 0.00 55.69 53.97 1yx0 s MET 114 Cb 0.15 -0.08 -0.12 0.00 0.00 0.00 0.00 34.83 34.78 1yx0 s MET 114 CO -0.12 -0.44 1.28 0.00 0.00 0.00 0.00 175.02 175.74 1yx0 h ALA 115 N 2.25 0.32 0.00 3.03 0.00 -2.02 1.74 119.26 124.59 1yx0 h ALA 115 Ca -0.34 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 53.74 1yx0 h ALA 115 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1yx0 h ALA 115 CO 0.52 0.81 -0.54 0.77 0.00 0.00 0.00 179.25 180.81 1yx0 h SER 116 N 0.24 0.00 0.21 0.00 0.02 -2.02 -3.29 113.55 108.70 1yx0 h SER 116 Ca -0.09 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.52 1yx0 h SER 116 Cb 1.61 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.10 1yx0 h SER 116 CO 0.17 0.54 -2.09 0.49 -1.14 0.00 0.00 176.83 174.80 1yx0 n PHE 117 N -3.30 0.55 -0.34 3.45 3.01 -1.19 -3.83 117.46 115.81 1yx0 n PHE 117 Ca 0.01 0.17 -0.00 0.00 1.01 0.00 0.00 57.45 58.64 1yx0 n PHE 117 Cb 0.71 -1.09 0.04 0.00 -0.01 0.00 0.00 39.48 39.13 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1yx0 n GLU 118 N -3.02 -0.20 0.04 -1.08 1.02 0.59 0.98 120.64 118.98 1yx0 n GLU 118 Ca -0.28 1.36 -0.15 0.00 -0.02 0.00 0.00 57.16 58.07 1yx0 n GLU 118 Cb 1.08 -2.02 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.56 -0.76 3.49 0.13 -1.76 -3.08 132.00 130.57 1yx0 h PRO 119 Ca 0.31 -0.54 0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1yx0 h PRO 119 Cb 0.54 0.14 -0.08 0.00 0.13 0.00 0.00 31.00 31.73 1yx0 h PRO 119 CO -0.88 1.17 0.38 0.00 -0.23 0.00 0.00 178.00 178.44 1yx0 h ALA 120 N 0.65 1.08 -0.21 -0.56 0.00 0.05 0.56 119.26 120.82 1yx0 h ALA 120 Ca -0.08 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1yx0 h ALA 120 Cb 1.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1yx0 h ALA 120 CO 0.17 -0.05 -0.12 -0.09 0.00 0.00 0.00 179.25 179.16 1yx0 h ARG 121 N 0.62 0.34 -0.08 0.00 2.43 0.62 -1.35 114.38 116.95 1yx0 h ARG 121 Ca 0.39 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 59.28 1yx0 h ARG 121 Cb 0.45 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1yx0 h ARG 121 CO -0.30 0.47 -0.74 0.87 -1.51 0.00 0.00 179.97 178.76 1yx0 h LYS 122 N 0.32 0.45 -0.36 0.20 1.57 -0.51 -1.72 116.57 116.52 1yx0 h LYS 122 Ca 0.06 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1yx0 h LYS 122 Cb 0.41 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1yx0 h LYS 122 CO 0.02 1.01 0.14 1.25 -0.57 0.00 0.00 179.45 181.31 1yx0 h LEU 123 N 0.31 0.50 0.08 2.94 7.12 0.60 -0.83 115.31 126.02 1yx0 h LEU 123 Ca -0.03 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 57.81 1yx0 h LEU 123 Cb 1.33 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1yx0 h LEU 123 CO 0.13 0.53 -0.04 1.88 -0.13 0.00 0.00 178.44 180.81 1yx0 h TYR 124 N 0.44 -0.10 -0.02 1.25 0.05 -1.23 -2.07 116.97 115.28 1yx0 h TYR 124 Ca 0.12 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.90 1yx0 h TYR 124 Cb 0.19 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1yx0 h TYR 124 CO -0.00 0.10 0.07 0.93 -1.05 0.00 0.00 178.16 178.21 1yx0 h GLU 125 N -0.28 0.00 0.00 4.88 4.39 -1.21 0.68 114.58 123.03 1yx0 h GLU 125 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1yx0 h GLU 125 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1yx0 h GLU 125 CO 0.02 0.00 -0.31 0.45 -1.16 0.00 0.00 179.01 178.01 1yx0 n SER 126 N -3.28 0.49 0.01 1.42 2.88 -0.33 -3.41 113.62 111.40 1yx0 n SER 126 Ca -0.02 0.21 0.11 0.00 -1.33 0.00 0.00 58.87 57.83 1yx0 n SER 126 Cb 0.15 -0.17 -0.12 0.00 -0.75 0.00 0.00 64.21 63.31 1yx0 n SER 126 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1yx0 n PHE 127 N -1.82 0.10 0.00 0.66 3.01 0.23 -4.97 117.46 114.66 1yx0 n PHE 127 Ca 0.05 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1yx0 n PHE 127 Cb 0.38 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yx0 n GLY 128 N 1.32 0.68 3.38 1.37 0.00 -0.61 -5.09 105.19 106.25 1yx0 n GLY 128 Ca -0.01 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.35 2.78 0.13 1.61 0.40 -1.10 -3.97 117.98 117.48 1yx0 s PHE 129 Ca 0.00 -0.58 0.09 0.00 -0.60 0.00 0.00 56.93 55.84 1yx0 s PHE 129 Cb 0.00 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1yx0 s PHE 129 CO 0.00 -0.15 -0.19 1.14 0.70 0.00 0.00 175.22 176.72 1yx0 s GLN 130 N 0.17 1.74 0.61 0.44 -2.07 0.05 -4.54 119.66 116.05 1yx0 s GLN 130 Ca -0.08 -1.22 -0.19 0.00 -1.82 0.00 0.00 55.36 52.05 1yx0 s GLN 130 Cb -0.15 -2.08 -0.03 0.00 -1.09 0.00 0.00 33.01 29.66 1yx0 s GLN 130 CO 0.05 0.47 1.24 0.66 -1.32 0.00 0.00 175.29 176.39 1yx0 n TYR 131 N 0.74 1.80 -2.98 9.60 4.02 -1.26 0.14 117.16 129.22 1yx0 n TYR 131 Ca -0.15 0.43 0.00 0.00 -0.01 0.00 0.00 57.90 58.16 1yx0 n TYR 131 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 39.34 37.58 1yx0 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yx0 s GLU 133 N -1.47 4.22 0.68 0.00 8.01 -1.26 -4.42 118.70 124.46 1yx0 s GLU 133 Ca 0.00 2.25 -0.11 0.00 0.01 0.00 0.00 54.97 57.11 1yx0 s GLU 133 Cb 0.00 -2.97 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 1yx0 s GLU 133 CO 0.00 -0.32 1.06 -1.25 0.01 0.00 0.00 175.26 174.76 1yx0 s PRO 134 N -1.96 3.00 0.00 0.39 0.04 -1.26 -4.71 135.00 130.50 1yx0 s PRO 134 Ca 0.52 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1yx0 s PRO 134 Cb -0.40 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1yx0 s PRO 134 CO 0.53 -1.05 0.00 0.34 0.04 0.00 0.00 177.00 176.86 1yx0 n PHE 135 N -2.98 0.00 0.00 0.56 -0.00 -1.26 -4.99 117.46 108.78 1yx0 n PHE 135 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.53 1yx0 n PHE 135 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 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 -2.62 0.00 -1.38 3.13 0.00 -1.26 -2.65 120.51 115.73 1yx0 n ALA 136 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1yx0 n ALA 136 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 -3.96 7.12 -2.45 0.00 4.64 -1.26 -4.94 116.55 115.71 1yx0 n ASP 137 Ca 0.00 -3.77 -0.09 0.00 -1.38 0.00 0.00 54.79 49.55 1yx0 n ASP 137 Cb 0.00 -0.91 -0.00 0.00 -1.04 0.00 0.00 41.12 39.16 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 -0.92 -1.62 -4.36 -0.67 4.01 -1.08 -5.18 117.16 107.33 1yx0 n TYR 138 Ca 0.61 -1.62 -0.24 0.00 -0.16 0.00 0.00 57.90 56.50 1yx0 n TYR 138 Cb 0.77 0.56 -0.08 0.00 -0.31 0.00 0.00 39.34 40.27 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 -2.62 1.75 1.04 2.72 0.00 -1.26 -4.63 107.32 104.31 1yx0 s GLY 139 Ca 0.17 -1.72 -0.23 0.00 0.00 0.00 0.00 44.72 42.94 1yx0 s GLY 139 CO 0.13 -1.79 -0.77 1.18 0.00 0.00 0.00 173.10 171.84 1yx0 n GLU 140 N -0.70 -0.80 -3.62 2.90 -0.58 -1.26 -5.03 120.64 111.54 1yx0 n GLU 140 Ca -0.06 -0.23 -0.03 0.00 -0.42 0.00 0.00 57.16 56.42 1yx0 n GLU 140 Cb 0.59 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 30.13 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1yx0 s ASP 141 N -1.40 -0.16 0.42 1.62 -0.00 -1.26 -5.02 116.67 110.86 1yx0 s ASP 141 Ca 0.43 -0.14 0.23 0.00 -0.00 0.00 0.00 52.55 53.07 1yx0 s ASP 141 Cb 0.00 0.27 0.67 0.00 -0.00 0.00 0.00 42.92 43.86 1yx0 s ASP 141 CO 0.62 -0.48 1.72 1.55 -0.00 0.00 0.00 175.17 178.58 1yx0 h PRO 142 N 2.00 0.00 -2.21 8.23 0.13 -2.03 -3.30 132.00 134.82 1yx0 h PRO 142 Ca -0.22 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.34 1yx0 h PRO 142 Cb 1.21 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.92 1yx0 h PRO 142 CO 0.27 0.21 -0.75 0.09 -0.23 0.00 0.00 178.00 177.58 1yx0 n ASN 143 N -3.25 3.50 -3.65 1.44 4.13 -1.26 -5.01 115.26 111.16 1yx0 n ASN 143 Ca 0.01 -3.48 -0.07 0.00 1.68 0.00 0.00 54.58 52.72 1yx0 n ASN 143 Cb 0.50 -0.59 -0.08 0.00 -1.54 0.00 0.00 39.78 38.07 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1yx0 s SER 144 N -3.01 -0.86 0.07 6.41 0.01 -1.24 -4.27 113.70 110.81 1yx0 s SER 144 Ca 0.45 1.38 0.08 0.00 1.31 0.00 0.00 55.95 59.17 1yx0 s SER 144 Cb 0.26 1.33 -0.04 0.00 0.21 0.00 0.00 66.02 67.79 1yx0 s SER 144 CO -0.11 -0.23 -0.17 0.68 0.41 0.00 0.00 173.24 173.83 1yx0 s VAL 145 N 1.72 2.90 0.04 3.43 -7.23 0.23 -4.68 120.40 116.81 1yx0 s VAL 145 Ca -0.09 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1yx0 s VAL 145 Cb -0.06 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1yx0 s VAL 145 CO -0.18 0.23 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.44 1yx0 s PHE 146 N -1.04 0.46 0.30 2.82 0.08 -1.26 -1.11 117.98 118.23 1yx0 s PHE 146 Ca 0.17 -0.72 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 1yx0 s PHE 146 Cb -0.11 -0.31 0.01 0.00 -0.57 0.00 0.00 43.02 42.04 1yx0 s PHE 146 CO 0.08 -0.23 0.53 0.00 -0.10 0.00 0.00 175.22 175.50 1yx0 s MET 147 N -2.42 1.78 0.03 0.44 0.23 -1.26 -3.03 119.30 115.07 1yx0 s MET 147 Ca -0.06 -1.45 0.00 0.00 -1.03 0.00 0.00 55.69 53.16 1yx0 s MET 147 Cb -0.03 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.73 1yx0 s MET 147 CO -0.04 -0.76 -0.04 -0.08 -2.03 0.00 0.00 175.02 172.07 1yx0 s THR 148 N -3.43 0.22 -0.24 3.16 -1.32 0.37 -4.39 115.64 110.01 1yx0 s THR 148 Ca 0.24 -1.06 -0.12 0.00 -1.21 0.00 0.00 61.69 59.54 1yx0 s THR 148 Cb -0.01 -0.49 -0.05 0.00 -1.51 0.00 0.00 72.50 70.44 1yx0 s THR 148 CO 0.13 -0.54 0.22 -0.75 -2.21 0.00 0.00 174.62 171.48 1yx0 s LYS 149 N -1.79 4.07 -0.30 7.08 2.47 0.59 -0.77 119.74 131.09 1yx0 s LYS 149 Ca -0.12 -0.17 -0.07 0.00 -1.56 0.00 0.00 55.97 54.05 1yx0 s LYS 149 Cb -0.08 -3.56 0.01 0.00 -1.46 0.00 0.00 37.83 32.74 1yx0 s LYS 149 CO -0.02 -0.00 0.09 0.21 0.16 0.00 0.00 175.35 175.79 1yx0 s LYS 150 N 1.24 3.07 0.00 4.03 2.20 -1.25 -1.02 119.74 128.01 1yx0 s LYS 150 Ca 0.10 -0.87 0.08 0.00 -0.36 0.00 0.00 55.97 54.92 1yx0 s LYS 150 Cb -0.14 -3.40 0.50 0.00 -1.51 0.00 0.00 37.83 33.28 1yx0 s LYS 150 CO 0.06 -0.46 0.96 1.28 -0.36 0.00 0.00 175.35 176.83