#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx0 n HIS 2 N 0.00 1.51 -4.59 2.03 -0.00 -0.26 -4.82 115.22 109.09 1yx0 n HIS 2 Ca 0.00 0.30 -0.33 0.00 -0.00 0.00 0.00 57.72 57.69 1yx0 n HIS 2 Cb 0.00 -2.52 -0.16 0.00 -0.00 0.00 0.00 29.99 27.31 1yx0 n HIS 2 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1yx0 s ILE 3 N 7.58 2.26 0.37 1.59 -1.09 -1.26 0.60 121.20 131.25 1yx0 s ILE 3 Ca 1.11 -0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 58.46 1yx0 s ILE 3 Cb -0.88 -1.92 0.05 0.00 -1.58 0.00 0.00 42.46 38.13 1yx0 s ILE 3 CO 0.49 0.54 0.79 -0.54 -1.23 0.00 0.00 174.94 174.98 1yx0 s LYS 4 N 0.85 2.18 -0.10 2.79 1.02 -1.08 -5.02 119.74 120.38 1yx0 s LYS 4 Ca -0.06 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.49 1yx0 s LYS 4 Cb -0.15 0.62 -0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1yx0 s LYS 4 CO -0.02 -1.02 0.13 0.42 -0.92 0.00 0.00 175.35 173.94 1yx0 s ILE 5 N -2.47 5.36 -0.07 2.17 1.01 -1.26 -1.48 121.20 124.47 1yx0 s ILE 5 Ca 0.15 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.94 1yx0 s ILE 5 Cb -0.05 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.08 1yx0 s ILE 5 CO 0.11 0.58 -0.15 -0.62 0.00 0.00 0.00 174.94 174.86 1yx0 s ASP 6 N -1.12 2.04 -0.33 3.58 2.15 -0.39 -4.83 116.67 117.77 1yx0 s ASP 6 Ca 0.16 -0.35 0.04 0.00 0.43 0.00 0.00 52.55 52.83 1yx0 s ASP 6 Cb -0.12 -0.88 0.10 0.00 -0.30 0.00 0.00 42.92 41.71 1yx0 s ASP 6 CO 0.05 0.07 0.04 1.51 -0.17 0.00 0.00 175.17 176.67 1yx0 s ASP 7 N 0.51 4.68 -0.38 -0.34 -4.77 -1.26 -4.23 116.67 110.88 1yx0 s ASP 7 Ca -0.14 -2.04 -0.33 0.00 -3.30 0.00 0.00 52.55 46.74 1yx0 s ASP 7 Cb -0.15 -1.57 0.05 0.00 -1.09 0.00 0.00 42.92 40.16 1yx0 s ASP 7 CO 0.04 -0.36 0.56 0.18 0.70 0.00 0.00 175.17 176.29 1yx0 n LEU 8 N 4.31 -2.72 -3.15 2.11 4.32 -1.26 -4.98 117.00 115.64 1yx0 n LEU 8 Ca 0.02 -0.07 0.04 0.00 -0.02 0.00 0.00 56.01 55.98 1yx0 n LEU 8 Cb 0.42 -1.61 -0.00 0.00 -1.62 0.00 0.00 43.42 40.60 1yx0 n LEU 8 CO 0.21 -0.25 0.14 -0.89 -1.22 0.00 0.00 177.39 175.39 1yx0 s THR 9 N -1.40 -0.92 0.00 -5.08 2.01 -1.26 -5.10 115.64 103.89 1yx0 s THR 9 Ca 0.33 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.33 1yx0 s THR 9 Cb -0.03 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1yx0 s THR 9 CO 0.74 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.28 1yx0 n GLY 10 N 5.24 2.21 0.34 4.40 0.00 -1.26 -4.63 105.19 111.49 1yx0 n GLY 10 Ca 0.06 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.57 -0.48 1.61 0.11 -1.99 0.74 114.38 114.95 1yx0 h ARG 11 Ca 0.00 -0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.07 1yx0 h ARG 11 Cb 0.00 -0.13 -0.03 0.00 1.11 0.00 0.00 29.97 30.93 1yx0 h ARG 11 CO 0.00 0.38 0.32 1.96 0.10 0.00 0.00 179.97 182.73 1yx0 h GLN 12 N 0.59 0.55 -0.17 0.08 1.08 -1.98 1.21 115.11 116.48 1yx0 h GLN 12 Ca 0.59 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.63 1yx0 h GLN 12 Cb 1.06 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1yx0 h GLN 12 CO -0.45 0.36 -0.42 0.28 -0.95 0.00 0.00 178.83 177.65 1yx0 h VAL 13 N 0.57 1.34 -0.01 -0.54 2.07 0.16 -2.29 116.25 117.55 1yx0 h VAL 13 Ca 0.19 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 1yx0 h VAL 13 Cb 0.06 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1yx0 h VAL 13 CO -0.05 0.51 -0.01 0.58 0.02 0.00 0.00 177.57 178.63 1yx0 h VAL 14 N 0.24 1.33 -0.89 2.57 2.07 -0.19 -2.80 116.25 118.58 1yx0 h VAL 14 Ca -0.01 -0.99 0.22 0.00 0.82 0.00 0.00 66.70 66.74 1yx0 h VAL 14 Cb 1.04 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 32.73 1yx0 h VAL 14 CO 0.09 0.26 0.61 -1.28 0.02 0.00 0.00 177.57 177.27 1yx0 h SER 15 N -0.39 0.27 -0.62 0.57 0.87 0.14 0.70 113.55 115.09 1yx0 h SER 15 Ca 0.00 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1yx0 h SER 15 Cb 0.43 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1yx0 h SER 15 CO 0.00 0.10 0.06 -0.07 -0.53 0.00 0.00 176.83 176.39 1yx0 h LEU 16 N 0.26 1.03 -0.12 2.23 4.07 -1.16 -0.86 115.31 120.76 1yx0 h LEU 16 Ca 0.46 -0.26 -0.24 0.00 0.08 0.00 0.00 57.88 57.92 1yx0 h LEU 16 Cb 1.35 -0.27 0.01 0.00 1.08 0.00 0.00 40.66 42.83 1yx0 h LEU 16 CO -0.12 1.05 -0.89 0.58 -1.08 0.00 0.00 178.44 177.97 1yx0 h VAL 17 N 0.99 1.29 0.00 1.22 2.07 0.34 -2.78 116.25 119.37 1yx0 h VAL 17 Ca 0.19 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.58 1yx0 h VAL 17 Cb 0.48 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1yx0 h VAL 17 CO 0.02 0.66 0.00 0.78 0.02 0.00 0.00 177.57 179.05 1yx0 h ASN 18 N 0.44 0.00 -5.78 0.57 2.35 0.19 -3.47 115.58 109.88 1yx0 h ASN 18 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1yx0 h ASN 18 Cb 1.53 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.86 1yx0 h ASN 18 CO 0.18 0.00 -0.78 -0.62 -1.65 0.00 0.00 177.43 174.55 1yx0 n GLU 19 N -2.33 -2.18 -0.10 0.81 1.02 -0.35 -4.91 120.64 112.60 1yx0 n GLU 19 Ca 0.00 1.90 -0.17 0.00 -0.02 0.00 0.00 57.16 58.87 1yx0 n GLU 19 Cb 0.14 -2.58 -0.08 0.00 -0.02 0.00 0.00 31.44 28.90 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1yx0 n HIS 20 N 1.76 0.85 0.38 -0.32 -0.00 -1.25 -4.41 115.22 112.23 1yx0 n HIS 20 Ca -0.10 0.37 -0.19 0.00 0.46 0.00 0.00 57.72 58.26 1yx0 n HIS 20 Cb 0.28 -0.97 -0.09 0.00 -0.12 0.00 0.00 29.99 29.08 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 -1.10 -8.76 0.27 4.07 -1.92 -3.28 115.31 103.59 1yx0 h LEU 21 Ca -0.28 0.06 -0.62 0.00 0.08 0.00 0.00 57.88 57.12 1yx0 h LEU 21 Cb 1.10 0.32 -0.13 0.00 1.08 0.00 0.00 40.66 43.04 1yx0 h LEU 21 CO -0.17 -0.67 0.25 -2.28 -1.08 0.00 0.00 178.44 174.49 1yx0 s HIS 22 N -5.98 3.12 0.28 1.13 2.46 -1.26 -4.79 115.29 110.24 1yx0 s HIS 22 Ca -0.18 0.38 0.00 0.00 0.47 0.00 0.00 55.06 55.73 1yx0 s HIS 22 Cb 0.04 -3.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.19 1yx0 s HIS 22 CO 0.61 -0.71 0.00 0.45 -2.47 0.00 0.00 174.74 172.62 1yx0 n SER 23 N 6.25 -6.99 -2.59 9.88 2.88 -1.26 -4.69 113.62 117.10 1yx0 n SER 23 Ca 0.01 0.91 -0.03 0.00 -1.33 0.00 0.00 58.87 58.43 1yx0 n SER 23 Cb 0.48 -3.12 -0.03 0.00 -0.75 0.00 0.00 64.21 60.80 1yx0 n SER 23 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1yx0 n MET 24 N 0.04 -3.98 -0.05 -1.46 0.00 -1.26 -4.10 117.12 106.31 1yx0 n MET 24 Ca 0.00 3.08 0.02 0.00 0.00 0.00 0.00 57.70 60.80 1yx0 n MET 24 Cb 0.00 -5.02 0.04 0.00 0.00 0.00 0.00 33.22 28.24 1yx0 n MET 24 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1yx0 n THR 25 N 1.23 0.90 -0.93 2.03 5.66 -1.24 -4.11 114.28 117.83 1yx0 n THR 25 Ca -0.24 -0.95 -0.34 0.00 -3.05 0.00 0.00 64.05 59.46 1yx0 n THR 25 Cb 0.37 0.56 0.08 0.00 -1.55 0.00 0.00 70.33 69.80 1yx0 n THR 25 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yx0 n LEU 26 N -0.16 -2.15 -4.08 1.09 -0.00 -1.26 -4.85 117.00 105.59 1yx0 n LEU 26 Ca 0.03 0.32 -0.37 0.00 -0.00 0.00 0.00 56.01 56.00 1yx0 n LEU 26 Cb 0.28 -1.05 0.06 0.00 -0.00 0.00 0.00 43.42 42.72 1yx0 n LEU 26 CO 0.02 -4.42 -1.52 0.23 -0.00 0.00 0.00 177.39 171.70 1yx0 n MET 27 N -0.10 -0.30 -1.42 1.47 2.81 -1.26 -4.75 117.12 113.58 1yx0 n MET 27 Ca 0.04 -0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.43 1yx0 n MET 27 Cb 0.54 -1.18 -0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1yx0 n MET 27 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1yx0 n SER 28 N 2.25 -1.27 -4.79 7.83 7.64 -1.26 -4.93 113.62 119.08 1yx0 n SER 28 Ca -0.01 0.92 -0.29 0.00 1.01 0.00 0.00 58.87 60.50 1yx0 n SER 28 Cb 0.67 -1.05 0.12 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.38 1.55 0.42 1.43 0.04 -1.26 -5.02 135.00 130.78 1yx0 s PRO 29 Ca 0.62 0.44 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 1yx0 s PRO 29 Cb -0.65 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1yx0 s PRO 29 CO 0.59 -1.94 1.05 -1.25 0.04 0.00 0.00 177.00 175.49 1yx0 s PRO 30 N -5.23 4.06 -0.58 0.56 0.04 -1.26 -4.95 135.00 127.65 1yx0 s PRO 30 Ca 0.62 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 63.13 1yx0 s PRO 30 Cb -0.15 -2.43 0.31 0.00 0.04 0.00 0.00 34.50 32.28 1yx0 s PRO 30 CO 0.54 -0.23 2.15 -0.85 0.04 0.00 0.00 177.00 178.65 1yx0 n GLU 31 N -0.30 2.43 -2.66 4.56 0.28 -1.26 -4.55 120.64 119.13 1yx0 n GLU 31 Ca 0.06 -2.75 -0.28 0.00 -0.16 0.00 0.00 57.16 54.03 1yx0 n GLU 31 Cb 0.50 -2.09 -0.02 0.00 1.43 0.00 0.00 31.44 31.27 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1yx0 n SER 32 N -0.24 4.81 -1.51 -1.84 3.41 -1.26 -5.06 113.62 111.93 1yx0 n SER 32 Ca 0.51 -3.71 0.03 0.00 -0.26 0.00 0.00 58.87 55.43 1yx0 n SER 32 Cb 0.54 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1yx0 n ILE 33 N -0.37 -2.52 -1.50 -1.33 2.08 -1.26 -4.40 119.36 110.06 1yx0 n ILE 33 Ca 0.36 1.34 -0.36 0.00 0.56 0.00 0.00 62.75 64.65 1yx0 n ILE 33 Cb 0.52 -2.20 -0.16 0.00 -0.75 0.00 0.00 39.64 37.04 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1yx0 n HIS 34 N -2.86 0.48 -3.64 1.39 -0.00 -1.26 -4.79 115.22 104.54 1yx0 n HIS 34 Ca -0.02 0.28 -0.28 0.00 0.46 0.00 0.00 57.72 58.16 1yx0 n HIS 34 Cb 0.50 -1.96 -0.11 0.00 -0.12 0.00 0.00 29.99 28.30 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 7.14 2.47 0.05 1.57 0.00 -1.26 -4.89 121.76 126.84 1yx0 s ALA 35 Ca 1.33 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1yx0 s ALA 35 Cb -1.10 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1yx0 s ALA 35 CO 0.49 -2.04 0.00 -0.11 0.00 0.00 0.00 175.76 174.11 1yx0 n LEU 36 N 2.57 -0.01 0.00 0.00 7.94 -1.26 -4.91 117.00 121.33 1yx0 n LEU 36 Ca 0.23 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1yx0 n LEU 36 Cb 0.41 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1yx0 n LEU 36 CO 0.18 -0.55 0.00 0.61 -1.11 0.00 0.00 177.39 176.51 1yx0 n GLY 37 N 1.72 -0.59 0.00 -3.96 0.00 -1.26 -5.08 105.19 96.02 1yx0 n GLY 37 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yx0 n LEU 38 N 0.00 0.00 -3.75 0.99 7.99 -1.26 -4.83 117.00 116.15 1yx0 n LEU 38 Ca 0.00 0.87 -0.31 0.00 -0.01 0.00 0.00 56.01 56.56 1yx0 n LEU 38 Cb 0.00 -0.37 0.03 0.00 -0.11 0.00 0.00 43.42 42.96 1yx0 n LEU 38 CO 0.00 -0.37 -0.09 -0.62 -1.51 0.00 0.00 177.39 174.79 1yx0 n GLU 39 N -2.48 -1.04 0.00 3.23 1.02 -1.26 -4.67 120.64 115.44 1yx0 n GLU 39 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1yx0 n GLU 39 Cb 0.00 -3.48 0.00 0.00 -0.02 0.00 0.00 31.44 27.94 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yx0 n LYS 40 N -3.86 0.00 -2.10 3.49 4.81 -1.26 -4.98 118.16 114.26 1yx0 n LYS 40 Ca -0.14 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.92 1yx0 n LYS 40 Cb 0.60 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.66 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yx0 n LEU 41 N -1.64 7.39 -3.81 3.14 4.77 -1.26 -4.79 117.00 120.80 1yx0 n LEU 41 Ca 0.00 -4.92 -0.28 0.00 -0.03 0.00 0.00 56.01 50.77 1yx0 n LEU 41 Cb 0.00 -1.15 -0.12 0.00 -2.33 0.00 0.00 43.42 39.82 1yx0 n LEU 41 CO 0.00 1.88 -0.13 -0.60 -1.33 0.00 0.00 177.39 177.21 1yx0 s ARG 42 N -3.60 1.99 0.04 3.23 3.52 -1.26 -5.05 118.95 117.83 1yx0 s ARG 42 Ca 0.49 -2.86 -0.00 0.00 -0.13 0.00 0.00 55.73 53.23 1yx0 s ARG 42 Cb 0.33 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 1yx0 s ARG 42 CO -0.27 -1.25 -0.03 0.20 -0.81 0.00 0.00 175.30 173.13 1yx0 s GLY 43 N -0.79 0.41 0.16 8.12 0.00 -1.26 -5.03 107.32 108.93 1yx0 s GLY 43 Ca 0.24 -0.99 0.24 0.00 0.00 0.00 0.00 44.72 44.20 1yx0 s GLY 43 CO -0.12 -1.08 1.73 -1.55 0.00 0.00 0.00 173.10 172.08 1yx0 n PRO 44 N 0.66 0.16 -2.55 2.90 -0.04 -1.26 -3.31 135.00 131.56 1yx0 n PRO 44 Ca -0.18 0.26 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 1yx0 n PRO 44 Cb 0.59 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 1yx0 n PRO 44 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1yx0 n GLU 45 N -2.02 2.84 -4.95 0.54 0.28 -1.26 -5.04 120.64 111.04 1yx0 n GLU 45 Ca 0.04 -4.21 -0.32 0.00 -0.16 0.00 0.00 57.16 52.51 1yx0 n GLU 45 Cb 0.31 -2.00 -0.14 0.00 1.43 0.00 0.00 31.44 31.03 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 -4.89 2.83 -0.04 3.84 -1.09 -1.21 -4.69 121.20 115.95 1yx0 s ILE 46 Ca 0.43 -0.79 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 1yx0 s ILE 46 Cb 0.41 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1yx0 s ILE 46 CO -0.13 0.57 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.03 1yx0 s THR 47 N -0.33 1.87 -0.14 2.92 2.01 -1.26 -5.00 115.64 115.72 1yx0 s THR 47 Ca 0.02 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1yx0 s THR 47 Cb -0.13 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1yx0 s THR 47 CO 0.02 0.53 -0.19 0.12 -0.69 0.00 0.00 174.62 174.41 1yx0 s PHE 48 N -0.30 2.50 0.05 4.92 2.19 -1.26 -3.00 117.98 123.08 1yx0 s PHE 48 Ca 0.02 -1.31 -0.04 0.00 0.33 0.00 0.00 56.93 55.93 1yx0 s PHE 48 Cb -0.11 -1.74 -0.05 0.00 -1.31 0.00 0.00 43.02 39.81 1yx0 s PHE 48 CO 0.01 -0.63 0.26 -1.58 1.83 0.00 0.00 175.22 175.11 1yx0 s TRP 49 N 1.01 3.53 -0.02 10.12 0.51 -0.40 -1.27 118.94 132.43 1yx0 s TRP 49 Ca -0.03 0.44 -0.01 0.00 -2.12 0.00 0.00 56.10 54.38 1yx0 s TRP 49 Cb -0.15 -1.90 0.01 0.00 -0.81 0.00 0.00 33.47 30.63 1yx0 s TRP 49 CO -0.05 0.58 0.04 -1.12 -0.51 0.00 0.00 176.95 175.88 1yx0 s SER 50 N -2.12 0.00 -0.15 2.95 0.01 -0.55 0.38 113.70 114.23 1yx0 s SER 50 Ca 0.32 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.60 1yx0 s SER 50 Cb -0.13 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1yx0 s SER 50 CO 0.22 -0.06 0.02 0.00 0.41 0.00 0.00 173.24 173.82 1yx0 s ALA 51 N 0.47 3.26 -0.14 1.44 0.00 -0.67 -2.64 121.76 123.48 1yx0 s ALA 51 Ca -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1yx0 s ALA 51 Cb -0.05 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.34 1yx0 s ALA 51 CO -0.01 0.27 -0.15 -1.58 0.00 0.00 0.00 175.76 174.29 1yx0 s TRP 52 N 0.12 2.77 -0.47 0.00 0.52 0.20 0.21 118.94 122.29 1yx0 s TRP 52 Ca 0.02 -0.83 0.05 0.00 0.02 0.00 0.00 56.10 55.37 1yx0 s TRP 52 Cb -0.13 -1.85 0.19 0.00 -1.15 0.00 0.00 33.47 30.54 1yx0 s TRP 52 CO 0.02 -0.33 0.44 -1.91 0.02 0.00 0.00 176.95 175.18 1yx0 n GLU 53 N 3.72 0.73 0.00 4.98 2.13 -1.23 -1.11 120.64 129.87 1yx0 n GLU 53 Ca -0.19 -3.49 0.00 0.00 0.66 0.00 0.00 57.16 54.14 1yx0 n GLU 53 Cb 0.52 -1.70 0.00 0.00 0.27 0.00 0.00 31.44 30.54 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 2.22 0.31 0.70 8.31 0.00 -1.26 -4.47 105.19 111.00 1yx0 n GLY 54 Ca 0.26 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.79 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 2.84 -4.42 1.61 2.03 -1.26 -4.98 116.55 112.37 1yx0 n ASP 55 Ca 0.00 -1.88 -0.21 0.00 0.52 0.00 0.00 54.79 53.22 1yx0 n ASP 55 Cb 0.00 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.09 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1yx0 s GLU 56 N -1.03 1.52 -0.07 -0.67 -1.05 -1.26 -5.09 118.70 111.05 1yx0 s GLU 56 Ca 0.24 -1.76 -0.30 0.00 -0.15 0.00 0.00 54.97 53.01 1yx0 s GLU 56 Cb 0.13 -1.15 -0.05 0.00 -0.44 0.00 0.00 34.13 32.62 1yx0 s GLU 56 CO 0.18 0.06 1.61 -0.51 0.95 0.00 0.00 175.26 177.56 1yx0 s LEU 57 N -3.42 4.30 0.06 1.83 2.01 -1.26 -3.48 118.68 118.73 1yx0 s LEU 57 Ca 0.29 2.18 -0.16 0.00 0.01 0.00 0.00 54.13 56.44 1yx0 s LEU 57 Cb 0.03 -3.53 -0.17 0.00 0.01 0.00 0.00 46.19 42.52 1yx0 s LEU 57 CO 0.11 -0.91 1.25 0.00 1.01 0.00 0.00 176.35 177.81 1yx0 h ALA 58 N 9.41 0.23 0.00 4.21 0.00 -0.55 -3.42 119.26 129.14 1yx0 h ALA 58 Ca -0.38 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1yx0 h ALA 58 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yx0 h ALA 58 CO 0.96 0.50 0.00 0.41 0.00 0.00 0.00 179.25 181.12 1yx0 n GLY 59 N 0.73 -1.34 3.32 0.00 0.00 0.04 -4.34 105.19 103.61 1yx0 n GLY 59 Ca -0.08 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.86 0.16 -0.09 0.00 0.00 0.16 -4.40 107.32 100.29 1yx0 s GLY 61 Ca 0.07 -0.46 -0.28 0.00 0.00 0.00 0.00 44.72 44.05 1yx0 s GLY 61 CO -0.08 0.50 0.65 0.00 0.00 0.00 0.00 173.10 174.17 1yx0 s ALA 62 N -2.63 -1.67 -0.26 3.20 0.00 -1.26 -1.27 121.76 117.86 1yx0 s ALA 62 Ca 0.16 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 1yx0 s ALA 62 Cb -0.04 -0.22 0.14 0.00 0.00 0.00 0.00 23.12 22.99 1yx0 s ALA 62 CO 0.08 -0.35 0.51 -0.48 0.00 0.00 0.00 175.76 175.52 1yx0 s LEU 63 N -0.89 -0.96 -0.13 0.00 0.05 -1.16 -2.81 118.68 112.78 1yx0 s LEU 63 Ca -0.09 0.93 -0.05 0.00 0.05 0.00 0.00 54.13 54.98 1yx0 s LEU 63 Cb -0.01 1.75 -0.04 0.00 -2.05 0.00 0.00 46.19 45.84 1yx0 s LEU 63 CO 0.08 -0.25 0.04 -0.75 -0.55 0.00 0.00 176.35 174.92 1yx0 s LYS 64 N 2.73 3.44 0.44 1.48 2.20 -1.14 -4.31 119.74 124.58 1yx0 s LYS 64 Ca 0.06 -0.34 -0.26 0.00 -0.36 0.00 0.00 55.97 55.07 1yx0 s LYS 64 Cb -0.14 -3.01 -0.09 0.00 -1.51 0.00 0.00 37.83 33.09 1yx0 s LYS 64 CO -0.17 0.55 1.43 -0.85 -0.36 0.00 0.00 175.35 175.95 1yx0 n GLU 65 N 2.66 2.29 0.03 4.03 0.28 -1.26 -3.37 120.64 125.30 1yx0 n GLU 65 Ca -0.18 0.81 -0.01 0.00 -0.16 0.00 0.00 57.16 57.62 1yx0 n GLU 65 Cb 0.53 -2.62 -0.00 0.00 1.43 0.00 0.00 31.44 30.78 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yx0 n LEU 66 N -0.07 1.07 -4.77 -1.84 4.32 -0.72 -4.94 117.00 110.05 1yx0 n LEU 66 Ca 0.05 0.14 -0.32 0.00 -0.02 0.00 0.00 56.01 55.86 1yx0 n LEU 66 Cb 0.41 -0.34 -0.07 0.00 -1.62 0.00 0.00 43.42 41.80 1yx0 n LEU 66 CO 0.60 -0.64 -0.23 -1.81 -1.22 0.00 0.00 177.39 174.09 1yx0 s ASP 67 N -5.91 4.17 0.46 -1.43 -0.00 -1.07 -4.95 116.67 107.94 1yx0 s ASP 67 Ca -0.02 -1.58 0.20 0.00 -0.00 0.00 0.00 52.55 51.14 1yx0 s ASP 67 Cb 0.00 0.43 1.18 0.00 -0.00 0.00 0.00 42.92 44.53 1yx0 s ASP 67 CO 0.03 -0.84 1.93 0.00 -0.00 0.00 0.00 175.17 176.29 1yx0 h THR 68 N 1.32 0.74 -0.62 -1.27 1.03 -2.03 -2.85 112.91 109.23 1yx0 h THR 68 Ca -0.43 -0.09 -0.28 0.00 -0.01 0.00 0.00 66.41 65.59 1yx0 h THR 68 Cb 1.31 0.44 -0.37 0.00 -1.07 0.00 0.00 68.15 68.46 1yx0 h THR 68 CO 0.73 0.05 -1.07 0.54 -0.01 0.00 0.00 175.52 175.76 1yx0 n ARG 69 N -4.44 1.44 -3.99 0.00 1.74 -1.26 -4.98 116.66 105.16 1yx0 n ARG 69 Ca 0.14 -3.19 -0.14 0.00 -0.77 0.00 0.00 57.85 53.90 1yx0 n ARG 69 Cb 0.62 -1.27 -0.14 0.00 -1.02 0.00 0.00 32.46 30.65 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 -3.11 0.20 0.04 -1.55 2.46 -1.08 0.18 115.29 112.44 1yx0 s HIS 70 Ca 0.26 -0.04 0.02 0.00 0.47 0.00 0.00 55.06 55.77 1yx0 s HIS 70 Cb 0.39 -0.13 -0.02 0.00 -0.13 0.00 0.00 32.58 32.68 1yx0 s HIS 70 CO -0.01 -0.00 -0.07 0.20 -2.47 0.00 0.00 174.74 172.39 1yx0 s GLY 71 N -0.05 0.46 -0.02 1.59 0.00 -1.13 -1.75 107.32 106.42 1yx0 s GLY 71 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1yx0 s GLY 71 CO -0.00 -0.84 -0.07 1.85 0.00 0.00 0.00 173.10 174.04 1yx0 s GLU 72 N -1.76 0.82 0.13 2.90 2.12 -1.22 0.11 118.70 121.81 1yx0 s GLU 72 Ca -0.09 -0.24 -0.10 0.00 0.36 0.00 0.00 54.97 54.90 1yx0 s GLU 72 Cb -0.09 -0.78 -0.06 0.00 0.26 0.00 0.00 34.13 33.46 1yx0 s GLU 72 CO -0.01 0.08 0.45 0.42 -0.54 0.00 0.00 175.26 175.66 1yx0 s ILE 73 N 0.26 5.04 -0.32 -3.70 1.09 -0.56 -2.87 121.20 120.14 1yx0 s ILE 73 Ca -0.04 0.44 0.17 0.00 -1.10 0.00 0.00 60.65 60.12 1yx0 s ILE 73 Cb -0.08 -3.65 0.45 0.00 -1.06 0.00 0.00 42.46 38.12 1yx0 s ILE 73 CO 0.00 0.17 1.26 2.29 -0.10 0.00 0.00 174.94 178.56 1yx0 n LYS 74 N 0.54 1.42 -3.54 2.79 0.00 -1.12 -3.73 118.16 114.52 1yx0 n LYS 74 Ca -0.05 -2.45 -0.00 0.00 -0.00 0.00 0.00 58.31 55.81 1yx0 n LYS 74 Cb 0.52 -0.63 -0.04 0.00 -0.00 0.00 0.00 35.03 34.88 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 -2.40 -0.87 -0.45 -5.58 0.15 -1.26 -4.78 113.70 98.52 1yx0 s SER 75 Ca 0.20 1.20 0.07 0.00 0.70 0.00 0.00 55.95 58.12 1yx0 s SER 75 Cb 0.40 1.96 0.29 0.00 -1.71 0.00 0.00 66.02 66.96 1yx0 s SER 75 CO -0.06 -0.17 0.94 0.23 1.20 0.00 0.00 173.24 175.37 1yx0 n MET 76 N 5.16 0.90 -5.11 5.44 2.81 -1.26 -4.37 117.12 120.69 1yx0 n MET 76 Ca -0.11 -2.16 -0.30 0.00 -1.81 0.00 0.00 57.70 53.32 1yx0 n MET 76 Cb 0.51 -1.28 -0.16 0.00 -0.71 0.00 0.00 33.22 31.58 1yx0 n MET 76 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1yx0 s ARG 77 N -0.05 2.30 0.28 0.03 6.06 -1.26 -4.94 118.95 121.38 1yx0 s ARG 77 Ca 0.29 -0.80 -0.14 0.00 -2.50 0.00 0.00 55.73 52.58 1yx0 s ARG 77 Cb 0.26 -1.95 -0.08 0.00 0.06 0.00 0.00 34.95 33.24 1yx0 s ARG 77 CO -0.13 0.32 0.67 0.99 -2.50 0.00 0.00 175.30 174.65 1yx0 s THR 78 N -0.06 4.75 0.10 4.11 2.01 -1.26 -3.97 115.64 121.33 1yx0 s THR 78 Ca -0.05 0.83 -0.33 0.00 0.31 0.00 0.00 61.69 62.46 1yx0 s THR 78 Cb -0.13 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 1yx0 s THR 78 CO 0.03 -0.10 1.58 -1.28 -0.69 0.00 0.00 174.62 174.17 1yx0 h SER 79 N 2.50 -1.29 -1.01 3.53 0.87 -1.81 -3.47 113.55 112.87 1yx0 h SER 79 Ca -0.48 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1yx0 h SER 79 Cb 1.18 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.60 1yx0 h SER 79 CO 0.66 -0.55 0.00 0.00 -0.53 0.00 0.00 176.83 176.41 1yx0 n ALA 80 N -2.82 0.00 -0.87 6.23 0.00 -1.26 -4.94 120.51 116.85 1yx0 n ALA 80 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1yx0 n ALA 80 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.22 4.16 -3.01 0.00 7.64 -1.26 -4.84 113.62 115.09 1yx0 n SER 81 Ca 0.00 -2.43 -0.09 0.00 1.01 0.00 0.00 58.87 57.36 1yx0 n SER 81 Cb 0.00 -1.11 0.04 0.00 -1.01 0.00 0.00 64.21 62.14 1yx0 n SER 81 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1yx0 n HIS 82 N 5.21 -3.15 -0.86 1.43 8.25 -1.26 -5.06 115.22 119.78 1yx0 n HIS 82 Ca 0.46 -0.70 -0.31 0.00 -0.26 0.00 0.00 57.72 56.90 1yx0 n HIS 82 Cb 0.21 -0.28 0.15 0.00 1.12 0.00 0.00 29.99 31.20 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 1yx0 s LEU 83 N 0.00 2.93 0.13 2.41 2.34 -1.26 -5.02 118.68 120.21 1yx0 s LEU 83 Ca 0.26 2.16 0.01 0.00 0.06 0.00 0.00 54.13 56.62 1yx0 s LEU 83 Cb -0.02 -4.56 -0.04 0.00 -0.56 0.00 0.00 46.19 41.01 1yx0 s LEU 83 CO 0.17 -2.85 0.28 0.00 -1.06 0.00 0.00 176.35 172.88 1yx0 s ARG 84 N -4.61 3.45 -0.73 1.48 1.70 -1.26 -4.47 118.95 114.52 1yx0 s ARG 84 Ca 0.67 -0.52 -0.04 0.00 -0.47 0.00 0.00 55.73 55.37 1yx0 s ARG 84 Cb -0.23 -2.97 -0.04 0.00 -0.57 0.00 0.00 34.95 31.14 1yx0 s ARG 84 CO 0.56 0.53 0.63 1.63 -1.08 0.00 0.00 175.30 177.58 1yx0 n LYS 85 N -0.32 -1.79 0.00 3.89 4.76 -1.26 -4.86 118.16 118.57 1yx0 n LYS 85 Ca -0.06 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1yx0 n LYS 85 Cb 0.53 -4.50 0.00 0.00 -1.84 0.00 0.00 35.03 29.22 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yx0 n GLY 86 N -1.30 -0.33 0.27 0.72 0.00 -1.26 -4.84 105.19 98.45 1yx0 n GLY 86 Ca -0.06 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.12 1.61 2.07 -1.78 0.16 116.25 118.19 1yx0 h VAL 87 Ca 0.00 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 1yx0 h VAL 87 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1yx0 h VAL 87 CO 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 177.08 1yx0 h ALA 88 N -1.27 0.91 -0.39 1.67 0.00 -1.92 -2.71 119.26 115.55 1yx0 h ALA 88 Ca -0.06 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1yx0 h ALA 88 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1yx0 h ALA 88 CO 0.10 0.67 0.16 0.87 0.00 0.00 0.00 179.25 181.05 1yx0 h LYS 89 N 0.26 0.58 -0.11 0.00 1.79 -1.89 0.78 116.57 117.97 1yx0 h LYS 89 Ca 0.01 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1yx0 h LYS 89 Cb 0.99 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.52 1yx0 h LYS 89 CO 0.08 0.55 -0.06 1.96 -1.08 0.00 0.00 179.45 180.90 1yx0 h GLN 90 N 0.48 -0.06 -0.53 3.15 1.08 -0.52 1.31 115.11 120.02 1yx0 h GLN 90 Ca 0.13 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.24 1yx0 h GLN 90 Cb 0.18 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.61 1yx0 h GLN 90 CO -0.01 -0.04 -0.02 0.28 -0.95 0.00 0.00 178.83 178.09 1yx0 h VAL 91 N -0.06 1.27 0.09 -0.54 2.07 -1.28 -0.78 116.25 117.01 1yx0 h VAL 91 Ca 0.07 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1yx0 h VAL 91 Cb 0.16 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1yx0 h VAL 91 CO -0.15 0.40 -0.04 0.25 0.02 0.00 0.00 177.57 178.05 1yx0 h LEU 92 N 0.83 -0.10 -1.73 2.57 5.85 0.12 0.22 115.31 123.07 1yx0 h LEU 92 Ca 0.15 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.87 1yx0 h LEU 92 Cb 0.55 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1yx0 h LEU 92 CO 0.03 -0.02 0.26 1.56 -0.34 0.00 0.00 178.44 179.94 1yx0 h GLN 93 N -0.17 0.34 0.24 1.25 7.50 0.18 0.13 115.11 124.58 1yx0 h GLN 93 Ca -0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 1yx0 h GLN 93 Cb 0.14 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.60 1yx0 h GLN 93 CO 0.02 0.22 -0.12 1.25 -1.50 0.00 0.00 178.83 178.71 1yx0 h HIS 94 N 0.35 -0.30 -0.57 2.96 2.76 -0.40 -0.48 115.15 119.48 1yx0 h HIS 94 Ca 0.17 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.42 1yx0 h HIS 94 Cb 0.22 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.21 1yx0 h HIS 94 CO -0.00 0.07 0.16 0.82 -1.30 0.00 0.00 177.93 177.69 1yx0 h ILE 95 N -0.83 0.73 0.16 6.26 2.04 -0.09 0.69 117.51 126.47 1yx0 h ILE 95 Ca -0.03 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1yx0 h ILE 95 Cb 0.51 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1yx0 h ILE 95 CO 0.05 0.06 -0.16 0.40 0.00 0.00 0.00 178.15 178.50 1yx0 h ILE 96 N 0.32 0.64 -0.89 -0.67 2.04 -0.77 -1.09 117.51 117.10 1yx0 h ILE 96 Ca 0.29 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.21 1yx0 h ILE 96 Cb 0.38 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1yx0 h ILE 96 CO -0.33 0.00 0.55 -0.08 0.00 0.00 0.00 178.15 178.29 1yx0 h GLU 97 N -0.35 0.98 -0.62 2.37 4.22 -0.01 0.15 114.58 121.31 1yx0 h GLU 97 Ca 0.00 -0.06 0.07 0.00 0.08 0.00 0.00 59.36 59.46 1yx0 h GLU 97 Cb 0.33 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1yx0 h GLU 97 CO -0.04 0.65 0.29 1.49 -2.18 0.00 0.00 179.01 179.22 1yx0 h GLU 98 N 1.01 0.52 -0.03 1.92 4.22 0.10 1.24 114.58 123.56 1yx0 h GLU 98 Ca 0.38 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.67 1yx0 h GLU 98 Cb 0.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1yx0 h GLU 98 CO -0.17 0.34 -0.57 0.00 -2.18 0.00 0.00 179.01 176.43 1yx0 h ALA 99 N 1.37 1.01 -0.07 2.92 0.00 -0.19 -1.78 119.26 122.53 1yx0 h ALA 99 Ca 0.30 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1yx0 h ALA 99 Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yx0 h ALA 99 CO -0.24 0.71 -0.15 0.93 0.00 0.00 0.00 179.25 180.50 1yx0 h GLU 100 N 0.06 0.23 -0.10 0.00 5.08 0.13 0.75 114.58 120.72 1yx0 h GLU 100 Ca -0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1yx0 h GLU 100 Cb 1.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 1yx0 h GLU 100 CO 0.08 0.74 -0.03 1.57 -1.00 0.00 0.00 179.01 180.36 1yx0 h LYS 101 N -0.26 0.15 0.18 2.33 2.10 0.15 -2.49 116.57 118.73 1yx0 h LYS 101 Ca 0.00 -0.02 -0.26 0.00 -2.00 0.00 0.00 60.65 58.37 1yx0 h LYS 101 Cb 0.73 -0.03 0.02 0.00 -0.90 0.00 0.00 32.23 32.05 1yx0 h LYS 101 CO 0.03 0.20 -1.20 0.00 -2.00 0.00 0.00 179.45 176.48 1yx0 h ARG 102 N 0.15 0.37 -1.06 0.07 -0.00 -1.21 -3.49 114.38 109.21 1yx0 h ARG 102 Ca 0.04 -0.63 0.00 0.00 -0.50 0.00 0.00 59.98 58.88 1yx0 h ARG 102 Cb 0.16 0.24 0.00 0.00 0.00 0.00 0.00 29.97 30.37 1yx0 h ARG 102 CO 0.01 1.30 0.00 0.41 0.00 0.00 0.00 179.97 181.69 1yx0 n GLY 103 N 1.71 0.78 3.91 0.04 0.00 0.25 -5.08 105.19 106.80 1yx0 n GLY 103 Ca -0.18 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.21 1.42 -0.22 1.61 1.51 -0.54 -4.94 117.35 113.99 1yx0 s TYR 104 Ca 0.00 0.31 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1yx0 s TYR 104 Cb 0.00 -4.10 -0.20 0.00 -0.11 0.00 0.00 41.96 37.55 1yx0 s TYR 104 CO 0.00 -2.81 -0.05 -1.91 -1.11 0.00 0.00 175.55 169.68 1yx0 n GLU 105 N -3.88 0.68 -3.49 -0.62 2.13 0.47 -4.89 120.64 111.05 1yx0 n GLU 105 Ca 0.15 0.16 -0.12 0.00 0.66 0.00 0.00 57.16 58.01 1yx0 n GLU 105 Cb 0.59 -1.57 -0.03 0.00 0.27 0.00 0.00 31.44 30.70 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 -2.53 1.01 -0.18 5.31 0.52 -1.18 -4.33 118.95 117.58 1yx0 s ARG 106 Ca -0.28 -0.15 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1yx0 s ARG 106 Cb 0.08 0.47 -0.00 0.00 0.52 0.00 0.00 34.95 36.02 1yx0 s ARG 106 CO 0.67 -0.40 -0.11 -0.51 0.02 0.00 0.00 175.30 174.97 1yx0 s LEU 107 N -2.05 2.63 0.33 2.53 1.43 -0.84 -2.82 118.68 119.88 1yx0 s LEU 107 Ca -0.01 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1yx0 s LEU 107 Cb -0.01 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1yx0 s LEU 107 CO -0.04 0.04 0.44 -0.44 0.23 0.00 0.00 176.35 176.58 1yx0 s SER 108 N 1.09 5.89 -0.10 2.29 0.01 0.31 -1.96 113.70 121.22 1yx0 s SER 108 Ca 0.00 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 1yx0 s SER 108 Cb -0.15 -1.23 0.07 0.00 0.21 0.00 0.00 66.02 64.92 1yx0 s SER 108 CO -0.03 -0.40 0.68 -1.48 0.41 0.00 0.00 173.24 172.42 1yx0 s LEU 109 N -4.13 -0.62 -0.46 2.44 0.05 -1.17 -1.49 118.68 113.29 1yx0 s LEU 109 Ca 0.44 0.87 -0.11 0.00 0.05 0.00 0.00 54.13 55.37 1yx0 s LEU 109 Cb -0.09 2.47 0.09 0.00 -2.05 0.00 0.00 46.19 46.62 1yx0 s LEU 109 CO 0.30 -0.52 0.34 -1.83 -0.55 0.00 0.00 176.35 174.09 1yx0 s GLU 110 N -0.82 2.69 -0.10 1.48 -1.05 -1.24 -4.05 118.70 115.60 1yx0 s GLU 110 Ca -0.08 -1.55 -0.03 0.00 -0.15 0.00 0.00 54.97 53.16 1yx0 s GLU 110 Cb -0.01 -3.95 -0.05 0.00 -0.44 0.00 0.00 34.13 29.68 1yx0 s GLU 110 CO 0.08 -1.08 -0.12 -2.37 0.95 0.00 0.00 175.26 172.72 1yx0 n THR 111 N 5.01 0.58 -2.29 1.83 5.66 -1.26 -4.90 114.28 118.91 1yx0 n THR 111 Ca -0.10 -0.18 -0.02 0.00 -3.05 0.00 0.00 64.05 60.70 1yx0 n THR 111 Cb 0.42 -1.30 -0.00 0.00 -1.55 0.00 0.00 70.33 67.90 1yx0 n THR 111 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1yx0 n GLY 112 N 2.63 -0.40 3.15 1.09 0.00 0.18 0.17 105.19 112.00 1yx0 n GLY 112 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.21 -4.39 -4.82 1.61 3.41 -1.21 -3.65 113.62 103.36 1yx0 n SER 113 Ca -0.02 -0.28 -0.33 0.00 -0.26 0.00 0.00 58.87 57.98 1yx0 n SER 113 Cb 0.45 -3.61 -0.01 0.00 -0.26 0.00 0.00 64.21 60.78 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 -5.80 3.60 0.46 4.33 1.00 0.45 -4.80 119.30 118.54 1yx0 s MET 114 Ca 0.32 1.14 0.14 0.00 0.00 0.00 0.00 55.69 57.29 1yx0 s MET 114 Cb -0.16 -2.08 1.04 0.00 0.00 0.00 0.00 34.83 33.63 1yx0 s MET 114 CO 0.39 -0.58 2.02 0.00 0.00 0.00 0.00 175.02 176.86 1yx0 h ALA 115 N 0.74 1.75 0.00 3.03 0.00 -1.91 1.54 119.26 124.41 1yx0 h ALA 115 Ca -0.47 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 1yx0 h ALA 115 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1yx0 h ALA 115 CO 0.59 0.19 -0.39 0.77 0.00 0.00 0.00 179.25 180.40 1yx0 h SER 116 N 0.04 0.00 0.00 0.00 0.02 -1.92 -3.20 113.55 108.48 1yx0 h SER 116 Ca 0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1yx0 h SER 116 Cb 0.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1yx0 h SER 116 CO 0.02 0.39 -0.29 0.49 -1.14 0.00 0.00 176.83 176.30 1yx0 n PHE 117 N -3.29 0.00 0.03 3.45 3.72 -0.09 -4.74 117.46 116.53 1yx0 n PHE 117 Ca 0.01 -1.29 -0.13 0.00 -0.05 0.00 0.00 57.45 56.00 1yx0 n PHE 117 Cb 0.63 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 38.87 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yx0 h GLU 118 N 0.58 -0.06 0.00 -1.08 5.08 0.21 -2.21 114.58 117.10 1yx0 h GLU 118 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1yx0 h GLU 118 Cb 1.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 1yx0 h GLU 118 CO 0.00 0.23 -0.74 -1.00 -1.00 0.00 0.00 179.01 176.51 1yx0 h PRO 119 N -0.37 0.00 -0.32 2.33 0.13 -1.84 -3.03 132.00 128.91 1yx0 h PRO 119 Ca -0.01 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1yx0 h PRO 119 Cb 0.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.43 1yx0 h PRO 119 CO 0.01 0.74 0.16 0.00 -0.23 0.00 0.00 178.00 178.68 1yx0 h ALA 120 N 1.26 0.39 -0.70 -0.56 0.00 -1.84 1.38 119.26 119.19 1yx0 h ALA 120 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1yx0 h ALA 120 Cb 1.32 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1yx0 h ALA 120 CO 0.10 -0.22 0.27 -0.09 0.00 0.00 0.00 179.25 179.31 1yx0 h ARG 121 N 0.33 1.04 -0.05 0.00 2.43 -1.39 0.90 114.38 117.63 1yx0 h ARG 121 Ca 0.14 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 1yx0 h ARG 121 Cb 0.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1yx0 h ARG 121 CO -0.10 0.85 -0.67 0.87 -1.51 0.00 0.00 179.97 179.41 1yx0 h LYS 122 N 1.01 0.23 0.00 0.20 1.57 -1.21 -0.69 116.57 117.68 1yx0 h LYS 122 Ca 0.23 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1yx0 h LYS 122 Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1yx0 h LYS 122 CO -0.02 0.81 -0.76 1.25 -0.57 0.00 0.00 179.45 180.16 1yx0 h LEU 123 N 0.16 0.00 0.08 2.94 6.46 0.26 -2.86 115.31 122.35 1yx0 h LEU 123 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1yx0 h LEU 123 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1yx0 h LEU 123 CO 0.10 0.76 -0.04 1.88 -0.62 0.00 0.00 178.44 180.52 1yx0 h TYR 124 N 0.00 -0.10 -0.28 1.25 0.99 0.10 -3.19 116.97 115.74 1yx0 h TYR 124 Ca -0.01 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.80 1yx0 h TYR 124 Cb 1.45 0.03 -0.01 0.00 1.00 0.00 0.00 36.73 39.21 1yx0 h TYR 124 CO 0.00 0.45 0.21 1.05 -0.00 0.00 0.00 178.16 179.87 1yx0 h GLU 125 N -0.80 0.00 0.00 4.88 -0.00 -1.22 0.61 114.58 118.05 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 0.00 0.45 -0.00 0.00 0.00 179.01 179.48 1yx0 n SER 126 N -4.38 0.70 -0.00 3.06 2.88 -1.08 -1.92 113.62 112.88 1yx0 n SER 126 Ca 0.04 0.67 0.11 0.00 -1.33 0.00 0.00 58.87 58.36 1yx0 n SER 126 Cb 0.37 -0.82 -0.14 0.00 -0.75 0.00 0.00 64.21 62.87 1yx0 n SER 126 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1yx0 n PHE 127 N -2.27 0.05 0.00 0.66 -0.00 0.21 -4.98 117.46 111.13 1yx0 n PHE 127 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1yx0 n PHE 127 Cb 0.24 -0.39 0.00 0.00 -0.00 0.00 0.00 39.48 39.32 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 1.32 2.52 2.86 7.13 0.00 -0.81 -5.11 105.19 113.10 1yx0 n GLY 128 Ca -0.02 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.73 -4.31 1.61 3.72 -1.02 -4.85 117.46 111.88 1yx0 n PHE 129 Ca 0.00 0.75 -0.16 0.00 -0.05 0.00 0.00 57.45 57.99 1yx0 n PHE 129 Cb 0.00 -1.62 -0.10 0.00 -0.94 0.00 0.00 39.48 36.81 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 -0.85 1.25 0.39 -1.08 -0.21 -1.11 -3.95 119.66 114.11 1yx0 s GLN 130 Ca 0.53 -1.61 -0.25 0.00 0.02 0.00 0.00 55.36 54.05 1yx0 s GLN 130 Cb -0.73 -0.63 -0.09 0.00 1.00 0.00 0.00 33.01 32.57 1yx0 s GLN 130 CO 0.49 -0.04 1.18 0.71 -2.12 0.00 0.00 175.29 175.51 1yx0 s TYR 131 N -3.38 3.07 0.30 0.91 1.51 -1.26 -2.31 117.35 116.19 1yx0 s TYR 131 Ca 0.25 1.55 -0.01 0.00 -1.01 0.00 0.00 57.07 57.85 1yx0 s TYR 131 Cb 0.05 -3.41 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 1yx0 s TYR 131 CO 0.06 -1.34 0.41 0.00 -1.11 0.00 0.00 175.55 173.57 1yx0 n GLU 133 N -0.51 -1.98 -1.55 0.00 1.02 -1.26 -3.73 120.64 112.63 1yx0 n GLU 133 Ca 0.01 -0.55 -0.30 0.00 -0.02 0.00 0.00 57.16 56.31 1yx0 n GLU 133 Cb 0.51 -2.02 0.10 0.00 -0.02 0.00 0.00 31.44 30.01 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 -4.07 1.92 0.00 3.49 0.04 -1.26 -4.46 135.00 130.65 1yx0 s PRO 134 Ca 0.64 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1yx0 s PRO 134 Cb -0.21 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1yx0 s PRO 134 CO 0.65 -1.72 0.00 0.34 0.04 0.00 0.00 177.00 176.31 1yx0 n PHE 135 N -3.49 -0.33 -0.05 0.56 7.35 -1.26 -4.85 117.46 115.38 1yx0 n PHE 135 Ca 0.07 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.74 1yx0 n PHE 135 Cb 0.57 0.07 -0.01 0.00 0.35 0.00 0.00 39.48 40.45 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1yx0 h ALA 136 N 0.00 -0.14 -0.52 3.13 0.00 -1.91 0.50 119.26 120.31 1yx0 h ALA 136 Ca 0.00 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1yx0 h ALA 136 Cb 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 1yx0 h ALA 136 CO 0.00 -0.20 0.25 -3.47 0.00 0.00 0.00 179.25 175.83 1yx0 n ASP 137 N -3.27 3.64 -0.62 0.00 2.03 -1.26 -5.02 116.55 112.04 1yx0 n ASP 137 Ca 0.00 -2.84 0.04 0.00 0.52 0.00 0.00 54.79 52.52 1yx0 n ASP 137 Cb 0.04 -0.67 -0.01 0.00 -0.72 0.00 0.00 41.12 39.75 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1yx0 n TYR 138 N -0.18 -2.08 -0.10 -0.67 4.01 0.17 -4.82 117.16 113.49 1yx0 n TYR 138 Ca 0.30 0.39 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 1yx0 n TYR 138 Cb 1.08 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx0 n GLY 139 N -1.02 0.70 3.95 2.72 0.00 -1.26 -4.49 105.19 105.78 1yx0 n GLY 139 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 1yx0 n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yx0 s GLU 140 N 0.00 1.76 -0.13 1.61 2.02 -1.26 -4.35 118.70 118.35 1yx0 s GLU 140 Ca 0.00 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 1yx0 s GLU 140 Cb 0.00 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.12 1yx0 s GLU 140 CO 0.00 -1.52 -0.01 0.16 0.02 0.00 0.00 175.26 173.92 1yx0 s ASP 141 N -4.64 2.29 0.10 -0.19 1.47 -1.26 -4.99 116.67 109.45 1yx0 s ASP 141 Ca 0.64 -0.44 -0.11 0.00 1.18 0.00 0.00 52.55 53.82 1yx0 s ASP 141 Cb -0.08 -0.63 -0.17 0.00 -0.34 0.00 0.00 42.92 41.70 1yx0 s ASP 141 CO 0.46 -0.22 1.26 1.55 0.68 0.00 0.00 175.17 178.90 1yx0 h PRO 142 N 8.24 0.68 -2.01 2.11 0.13 -1.99 -3.38 132.00 135.78 1yx0 h PRO 142 Ca -0.21 -0.66 -0.55 0.00 -0.87 0.00 0.00 66.00 63.71 1yx0 h PRO 142 Cb 1.12 0.17 -0.39 0.00 0.13 0.00 0.00 31.00 32.03 1yx0 h PRO 142 CO 0.33 1.26 -1.10 0.27 -0.23 0.00 0.00 178.00 178.52 1yx0 n ASN 143 N -3.86 0.32 -3.65 1.44 6.94 -1.26 -5.07 115.26 110.12 1yx0 n ASN 143 Ca -0.09 -2.74 -0.04 0.00 -0.02 0.00 0.00 54.58 51.69 1yx0 n ASN 143 Cb 0.83 -0.64 -0.07 0.00 -2.36 0.00 0.00 39.78 37.54 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1yx0 s SER 144 N -1.32 -0.17 0.03 0.53 0.01 -1.26 -4.87 113.70 106.64 1yx0 s SER 144 Ca 0.36 0.32 0.07 0.00 1.31 0.00 0.00 55.95 58.01 1yx0 s SER 144 Cb 0.19 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.79 1yx0 s SER 144 CO -0.11 -0.06 -0.20 0.68 0.41 0.00 0.00 173.24 173.97 1yx0 s VAL 145 N 0.19 2.64 0.39 3.43 -7.23 -1.24 -4.71 120.40 113.88 1yx0 s VAL 145 Ca 0.05 -1.16 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 1yx0 s VAL 145 Cb -0.05 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1yx0 s VAL 145 CO -0.13 0.39 0.55 0.12 -0.31 0.00 0.00 175.10 175.73 1yx0 s PHE 146 N -0.85 3.02 -0.11 2.82 2.19 -1.24 0.49 117.98 124.29 1yx0 s PHE 146 Ca 0.13 -0.19 -0.08 0.00 0.33 0.00 0.00 56.93 57.12 1yx0 s PHE 146 Cb -0.10 -2.22 0.04 0.00 -1.31 0.00 0.00 43.02 39.43 1yx0 s PHE 146 CO 0.04 -0.26 0.28 1.41 1.83 0.00 0.00 175.22 178.52 1yx0 s MET 147 N -4.33 0.29 0.05 10.12 1.75 -1.26 -2.63 119.30 123.29 1yx0 s MET 147 Ca 0.49 0.49 -0.00 0.00 -1.25 0.00 0.00 55.69 55.42 1yx0 s MET 147 Cb -0.10 0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.57 1yx0 s MET 147 CO 0.33 -0.10 -0.04 -0.08 -0.65 0.00 0.00 175.02 174.49 1yx0 s THR 148 N 0.70 0.29 0.06 10.11 -1.32 -0.98 -3.04 115.64 121.47 1yx0 s THR 148 Ca -0.05 -1.58 0.02 0.00 -1.21 0.00 0.00 61.69 58.87 1yx0 s THR 148 Cb -0.06 -1.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.69 1yx0 s THR 148 CO -0.04 -0.83 -0.08 -0.75 -2.21 0.00 0.00 174.62 170.71 1yx0 s LYS 149 N -3.21 0.60 -0.25 7.08 2.36 -0.83 -2.74 119.74 122.75 1yx0 s LYS 149 Ca 0.02 -0.89 -0.02 0.00 -2.55 0.00 0.00 55.97 52.52 1yx0 s LYS 149 Cb 0.02 -0.28 0.02 0.00 -1.05 0.00 0.00 37.83 36.54 1yx0 s LYS 149 CO -0.06 0.04 -0.04 0.21 1.55 0.00 0.00 175.35 177.04 1yx0 s LYS 150 N -2.09 2.90 0.00 4.03 2.20 -1.26 -1.99 119.74 123.53 1yx0 s LYS 150 Ca -0.05 -0.94 0.00 0.00 -0.36 0.00 0.00 55.97 54.62 1yx0 s LYS 150 Cb -0.07 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1yx0 s LYS 150 CO -0.01 -0.40 0.39 1.28 -0.36 0.00 0.00 175.35 176.26