#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 -1.23 -0.08 1.12 0.09 -1.15 -5.04 115.29 109.00 1yx0 s HIS 2 Ca 0.00 1.25 0.04 0.00 -0.00 0.00 0.00 55.06 56.36 1yx0 s HIS 2 Cb 0.00 0.41 -0.01 0.00 -0.00 0.00 0.00 32.58 32.98 1yx0 s HIS 2 CO 0.00 -0.68 -0.23 0.42 -0.00 0.00 0.00 174.74 174.26 1yx0 s ILE 3 N 2.89 2.23 0.31 0.60 1.01 -1.26 -3.11 121.20 123.87 1yx0 s ILE 3 Ca 0.13 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1yx0 s ILE 3 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1yx0 s ILE 3 CO -0.18 0.56 0.17 -0.54 0.00 0.00 0.00 174.94 174.95 1yx0 s LYS 4 N 0.05 1.63 -0.41 2.79 1.02 -1.07 -5.02 119.74 118.74 1yx0 s LYS 4 Ca -0.09 -1.94 -0.18 0.00 0.02 0.00 0.00 55.97 53.78 1yx0 s LYS 4 Cb -0.15 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.10 1yx0 s LYS 4 CO 0.06 -0.48 0.51 0.42 -0.92 0.00 0.00 175.35 174.94 1yx0 s ILE 5 N -3.57 5.00 0.08 2.17 1.09 -1.26 -0.87 121.20 123.84 1yx0 s ILE 5 Ca 0.35 -0.05 0.06 0.00 -1.10 0.00 0.00 60.65 59.92 1yx0 s ILE 5 Cb 0.04 -4.07 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 1yx0 s ILE 5 CO 0.18 -0.42 -0.17 -0.62 -0.10 0.00 0.00 174.94 173.81 1yx0 s ASP 6 N 1.86 2.03 -0.34 3.58 3.68 -0.03 -4.90 116.67 122.54 1yx0 s ASP 6 Ca 0.17 -0.64 0.04 0.00 2.13 0.00 0.00 52.55 54.24 1yx0 s ASP 6 Cb -0.16 -0.09 0.10 0.00 -1.45 0.00 0.00 42.92 41.32 1yx0 s ASP 6 CO 0.15 -0.02 0.05 -0.62 0.13 0.00 0.00 175.17 174.86 1yx0 s ASP 7 N -1.80 4.78 -0.13 -0.34 -1.08 -1.26 -4.20 116.67 112.65 1yx0 s ASP 7 Ca 0.01 -2.12 -0.11 0.00 -0.52 0.00 0.00 52.55 49.81 1yx0 s ASP 7 Cb -0.10 -1.64 0.02 0.00 -1.46 0.00 0.00 42.92 39.74 1yx0 s ASP 7 CO 0.03 -0.38 0.19 0.00 0.52 0.00 0.00 175.17 175.53 1yx0 n LEU 8 N 4.28 -2.85 0.00 -1.34 -0.00 -1.26 -4.91 117.00 110.92 1yx0 n LEU 8 Ca 0.03 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.23 1yx0 n LEU 8 Cb 0.42 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.44 1yx0 n LEU 8 CO 0.23 -0.85 0.19 0.41 -0.00 0.00 0.00 177.39 177.36 1yx0 n THR 9 N 0.77 0.00 0.00 1.47 -1.04 -1.26 -4.93 114.28 109.29 1yx0 n THR 9 Ca -0.03 0.80 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 1yx0 n THR 9 Cb 0.50 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1yx0 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx0 n GLY 10 N -0.02 3.73 0.07 3.41 0.00 -1.26 -4.97 105.19 106.15 1yx0 n GLY 10 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -0.04 1.61 -0.00 -1.97 -2.37 114.38 111.62 1yx0 h ARG 11 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1yx0 h ARG 11 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1yx0 h ARG 11 CO 0.00 0.69 0.01 1.96 -0.00 0.00 0.00 179.97 182.63 1yx0 h GLN 12 N 0.00 0.06 -0.15 0.08 1.08 -1.98 0.73 115.11 114.92 1yx0 h GLN 12 Ca -0.17 -0.01 -0.21 0.00 -1.45 0.00 0.00 58.65 56.81 1yx0 h GLN 12 Cb 1.90 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 29.33 1yx0 h GLN 12 CO 0.10 0.21 -0.75 0.28 -0.95 0.00 0.00 178.83 177.72 1yx0 h VAL 13 N -0.11 1.30 -0.39 -0.54 2.07 -1.95 -2.79 116.25 113.84 1yx0 h VAL 13 Ca 0.01 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1yx0 h VAL 13 Cb 0.17 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1yx0 h VAL 13 CO -0.00 0.62 0.21 0.58 0.02 0.00 0.00 177.57 179.01 1yx0 h VAL 14 N 0.49 1.15 -0.48 2.57 2.07 -1.30 -1.82 116.25 118.93 1yx0 h VAL 14 Ca -0.04 -0.39 0.07 0.00 0.82 0.00 0.00 66.70 67.15 1yx0 h VAL 14 Cb 1.37 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1yx0 h VAL 14 CO 0.15 0.16 0.15 0.28 0.02 0.00 0.00 177.57 178.32 1yx0 h SER 15 N 0.50 0.12 -0.63 0.57 0.02 0.50 0.24 113.55 114.87 1yx0 h SER 15 Ca 0.14 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1yx0 h SER 15 Cb 0.06 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 1yx0 h SER 15 CO -0.02 0.09 0.31 0.25 -1.14 0.00 0.00 176.83 176.32 1yx0 h LEU 16 N 0.31 0.42 -0.28 5.07 7.12 -1.18 0.98 115.31 127.74 1yx0 h LEU 16 Ca 0.23 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.29 1yx0 h LEU 16 Cb 0.27 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.36 1yx0 h LEU 16 CO -0.26 0.26 0.15 0.58 -0.13 0.00 0.00 178.44 179.04 1yx0 h VAL 17 N 0.56 1.13 0.00 1.05 2.07 -0.32 -3.27 116.25 117.46 1yx0 h VAL 17 Ca 0.30 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1yx0 h VAL 17 Cb 0.26 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1yx0 h VAL 17 CO -0.22 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.08 1yx0 n ASN 18 N -4.82 0.00 0.00 0.57 3.02 0.71 -4.99 115.26 109.75 1yx0 n ASN 18 Ca -0.02 0.90 0.00 0.00 -0.03 0.00 0.00 54.58 55.43 1yx0 n ASN 18 Cb 0.08 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1yx0 n ASN 18 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1yx0 n GLU 19 N -1.98 0.00 -0.10 3.52 4.07 0.33 -4.78 120.64 121.69 1yx0 n GLU 19 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 1yx0 n GLU 19 Cb 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.27 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1yx0 n HIS 20 N -0.12 0.76 0.19 4.31 -0.00 -1.26 -4.59 115.22 114.51 1yx0 n HIS 20 Ca 0.00 0.29 -0.08 0.00 0.46 0.00 0.00 57.72 58.39 1yx0 n HIS 20 Cb 0.00 -1.08 -0.04 0.00 -0.12 0.00 0.00 29.99 28.75 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 -0.82 -0.45 -6.64 0.27 3.38 -1.95 -3.47 115.31 105.63 1yx0 h LEU 21 Ca -0.46 0.02 0.21 0.00 0.09 0.00 0.00 57.88 57.74 1yx0 h LEU 21 Cb 1.50 0.12 -0.30 0.00 0.09 0.00 0.00 40.66 42.07 1yx0 h LEU 21 CO -0.22 -0.09 0.59 -2.28 0.09 0.00 0.00 178.44 176.53 1yx0 s HIS 22 N -3.33 -0.18 0.01 1.13 2.46 -1.26 -5.08 115.29 109.04 1yx0 s HIS 22 Ca -0.08 0.34 -0.04 0.00 0.47 0.00 0.00 55.06 55.76 1yx0 s HIS 22 Cb 0.01 0.11 -0.02 0.00 -0.13 0.00 0.00 32.58 32.55 1yx0 s HIS 22 CO 0.23 -0.09 1.06 0.77 -2.47 0.00 0.00 174.74 174.25 1yx0 h SER 23 N 6.10 -0.17 -3.67 9.88 0.02 -1.86 -3.48 113.55 120.36 1yx0 h SER 23 Ca -0.21 0.02 0.26 0.00 -0.84 0.00 0.00 61.79 61.02 1yx0 h SER 23 Cb 1.15 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.63 1yx0 h SER 23 CO 0.16 -0.07 -0.79 0.80 -1.14 0.00 0.00 176.83 175.80 1yx0 n MET 24 N -2.74 -2.34 -3.83 3.45 0.00 -1.26 -4.99 117.12 105.41 1yx0 n MET 24 Ca -0.01 1.83 -0.13 0.00 0.00 0.00 0.00 57.70 59.39 1yx0 n MET 24 Cb 0.05 -2.76 -0.14 0.00 0.00 0.00 0.00 33.22 30.37 1yx0 n MET 24 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1yx0 s THR 25 N -3.41 -0.01 0.23 1.12 -1.32 -1.26 -5.16 115.64 105.84 1yx0 s THR 25 Ca 0.00 0.04 0.03 0.00 -1.21 0.00 0.00 61.69 60.55 1yx0 s THR 25 Cb 0.00 -0.10 -0.03 0.00 -1.51 0.00 0.00 72.50 70.86 1yx0 s THR 25 CO 0.00 0.02 0.38 -1.48 -2.21 0.00 0.00 174.62 171.33 1yx0 s LEU 26 N 0.25 4.25 0.00 9.08 2.34 -1.26 -4.99 118.68 128.35 1yx0 s LEU 26 Ca -0.02 0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.38 1yx0 s LEU 26 Cb -0.03 -3.00 0.00 0.00 -0.56 0.00 0.00 46.19 42.60 1yx0 s LEU 26 CO -0.01 -0.08 0.00 1.15 -1.06 0.00 0.00 176.35 176.35 1yx0 n MET 27 N -1.19 0.00 -1.94 1.48 0.00 -1.26 -4.39 117.12 109.83 1yx0 n MET 27 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.21 1yx0 n MET 27 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.75 1yx0 n MET 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1yx0 s SER 28 N -4.00 6.61 0.42 3.17 0.01 -1.26 -4.97 113.70 113.67 1yx0 s SER 28 Ca 0.00 2.53 -0.23 0.00 1.31 0.00 0.00 55.95 59.55 1yx0 s SER 28 Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 1yx0 s SER 28 CO 0.00 -0.86 1.05 -2.16 0.41 0.00 0.00 173.24 171.69 1yx0 s PRO 29 N 2.05 4.08 0.43 12.44 0.04 -1.26 -5.05 135.00 147.72 1yx0 s PRO 29 Ca 0.72 1.49 -0.07 0.00 0.04 0.00 0.00 61.00 63.18 1yx0 s PRO 29 Cb -0.41 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 31.78 1yx0 s PRO 29 CO 0.32 -0.21 0.47 -0.35 0.04 0.00 0.00 177.00 177.27 1yx0 n PRO 30 N -0.25 -1.17 -3.93 0.56 -0.04 -1.26 -5.04 135.00 123.86 1yx0 n PRO 30 Ca 0.06 -0.74 -0.30 0.00 -0.04 0.00 0.00 63.50 62.47 1yx0 n PRO 30 Cb 0.50 -0.59 -0.14 0.00 -0.04 0.00 0.00 33.50 33.23 1yx0 n PRO 30 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1yx0 s GLU 31 N -4.05 1.70 0.29 0.54 2.12 -1.26 -5.05 118.70 112.99 1yx0 s GLU 31 Ca 0.29 -2.28 -0.20 0.00 0.36 0.00 0.00 54.97 53.14 1yx0 s GLU 31 Cb -0.02 -3.12 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1yx0 s GLU 31 CO 0.21 -1.06 0.75 -1.54 -0.54 0.00 0.00 175.26 173.08 1yx0 s SER 32 N 0.20 -0.20 -0.92 -1.70 1.04 -1.26 -5.04 113.70 105.83 1yx0 s SER 32 Ca 0.15 -0.71 -0.14 0.00 0.48 0.00 0.00 55.95 55.73 1yx0 s SER 32 Cb -0.23 0.74 -0.10 0.00 0.10 0.00 0.00 66.02 66.53 1yx0 s SER 32 CO -0.03 -1.39 2.06 0.00 0.98 0.00 0.00 173.24 174.86 1yx0 n ILE 33 N -0.48 2.30 0.00 -1.02 3.06 -1.26 -4.65 119.36 117.31 1yx0 n ILE 33 Ca -0.05 -1.69 0.00 0.00 -2.50 0.00 0.00 62.75 58.51 1yx0 n ILE 33 Cb 0.59 -2.28 0.00 0.00 0.54 0.00 0.00 39.64 38.49 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 5.92 0.00 -2.89 9.51 -0.00 -1.26 -4.85 115.22 121.64 1yx0 n HIS 34 Ca 0.49 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.65 1yx0 n HIS 34 Cb 0.29 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.14 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1yx0 n ALA 35 N 0.10 -2.46 -0.06 1.57 0.00 -1.26 -4.82 120.51 113.58 1yx0 n ALA 35 Ca 0.00 0.84 -0.08 0.00 0.00 0.00 0.00 53.44 54.20 1yx0 n ALA 35 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1yx0 n ALA 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yx0 h LEU 36 N 4.16 -0.90 0.00 0.00 7.12 -2.01 -3.47 115.31 120.22 1yx0 h LEU 36 Ca -0.18 0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.99 1yx0 h LEU 36 Cb 0.59 0.41 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1yx0 h LEU 36 CO 0.02 -0.31 0.00 0.61 -0.13 0.00 0.00 178.44 178.63 1yx0 n GLY 37 N -1.39 0.72 0.00 3.75 0.00 -1.26 -5.09 105.19 101.91 1yx0 n GLY 37 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 0.99 4.32 -1.26 -4.72 117.00 114.08 1yx0 n LEU 38 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 1yx0 n LEU 38 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1yx0 n LEU 38 CO 0.00 0.00 -0.15 1.21 -1.22 0.00 0.00 177.39 177.23 1yx0 n GLU 39 N -0.00 -2.06 0.00 3.23 2.13 -1.26 -4.75 120.64 117.93 1yx0 n GLU 39 Ca 0.00 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1yx0 n GLU 39 Cb 0.00 -5.15 0.00 0.00 0.27 0.00 0.00 31.44 26.56 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yx0 n LYS 40 N -2.63 0.00 0.00 5.31 4.76 -1.26 -5.02 118.16 119.32 1yx0 n LYS 40 Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1yx0 n LYS 40 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1yx0 n LEU 41 N -0.97 0.34 -3.34 -0.35 7.99 -1.26 -4.94 117.00 114.46 1yx0 n LEU 41 Ca 0.00 0.07 -0.32 0.00 -0.01 0.00 0.00 56.01 55.75 1yx0 n LEU 41 Cb 0.00 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1yx0 n LEU 41 CO 0.00 0.00 -0.30 -1.14 -1.51 0.00 0.00 177.39 174.44 1yx0 n ARG 42 N -0.13 -1.59 -3.62 3.23 0.63 -1.26 -4.99 116.66 108.93 1yx0 n ARG 42 Ca 0.00 1.25 -0.15 0.00 -0.92 0.00 0.00 57.85 58.03 1yx0 n ARG 42 Cb 0.00 -1.74 -0.07 0.00 0.45 0.00 0.00 32.46 31.10 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1yx0 s GLY 43 N -1.31 -0.45 0.00 5.14 0.00 -1.26 -5.02 107.32 104.42 1yx0 s GLY 43 Ca 0.31 1.27 0.22 0.00 0.00 0.00 0.00 44.72 46.53 1yx0 s GLY 43 CO 0.71 0.99 1.70 -1.55 0.00 0.00 0.00 173.10 174.95 1yx0 n PRO 44 N 1.70 0.04 -2.73 2.90 -0.04 -1.26 -3.39 135.00 132.22 1yx0 n PRO 44 Ca -0.17 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 1yx0 n PRO 44 Cb 0.56 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.47 1.46 -4.04 0.54 0.28 -1.26 -5.07 120.64 111.09 1yx0 n GLU 45 Ca 0.06 -3.48 -0.35 0.00 -0.16 0.00 0.00 57.16 53.23 1yx0 n GLU 45 Cb 0.25 -1.47 -0.12 0.00 1.43 0.00 0.00 31.44 31.53 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 -3.36 4.24 -0.06 3.84 -1.09 -1.22 -4.82 121.20 118.74 1yx0 s ILE 46 Ca 0.32 -0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.47 1yx0 s ILE 46 Cb 0.43 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1yx0 s ILE 46 CO -0.01 0.42 0.18 -0.89 -1.23 0.00 0.00 174.94 173.41 1yx0 s THR 47 N 0.89 5.44 -0.11 2.92 2.01 -1.26 -5.02 115.64 120.50 1yx0 s THR 47 Ca 0.02 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1yx0 s THR 47 Cb -0.14 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1yx0 s THR 47 CO 0.02 0.47 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.94 1yx0 s PHE 48 N -1.18 1.75 -0.28 4.92 0.40 -1.26 -3.12 117.98 119.21 1yx0 s PHE 48 Ca 0.22 -0.86 -0.13 0.00 -0.60 0.00 0.00 56.93 55.56 1yx0 s PHE 48 Cb -0.13 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1yx0 s PHE 48 CO 0.12 -0.50 0.30 -1.58 0.70 0.00 0.00 175.22 174.26 1yx0 s TRP 49 N 1.29 3.23 -0.20 0.36 0.51 0.24 -0.85 118.94 123.52 1yx0 s TRP 49 Ca -0.01 0.26 -0.09 0.00 -2.12 0.00 0.00 56.10 54.14 1yx0 s TRP 49 Cb -0.14 -2.50 -0.05 0.00 -0.81 0.00 0.00 33.47 29.97 1yx0 s TRP 49 CO -0.05 -0.22 0.11 -1.12 -0.51 0.00 0.00 176.95 175.17 1yx0 s SER 50 N 1.69 5.99 -0.25 2.95 0.01 -0.05 0.19 113.70 124.23 1yx0 s SER 50 Ca 0.12 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 1yx0 s SER 50 Cb -0.16 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 1yx0 s SER 50 CO 0.10 0.16 0.20 0.00 0.41 0.00 0.00 173.24 174.12 1yx0 s ALA 51 N 0.49 3.58 -0.19 1.44 0.00 -0.34 -2.58 121.76 124.16 1yx0 s ALA 51 Ca 0.06 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1yx0 s ALA 51 Cb -0.12 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.62 1yx0 s ALA 51 CO -0.00 -0.32 -0.09 -1.58 0.00 0.00 0.00 175.76 173.76 1yx0 s TRP 52 N 1.32 2.25 -0.81 0.00 0.52 -1.18 0.19 118.94 121.23 1yx0 s TRP 52 Ca 0.09 -1.47 0.02 0.00 0.02 0.00 0.00 56.10 54.76 1yx0 s TRP 52 Cb -0.14 -1.57 0.21 0.00 -1.15 0.00 0.00 33.47 30.82 1yx0 s TRP 52 CO 0.07 -0.71 0.70 -1.91 0.02 0.00 0.00 176.95 175.11 1yx0 n GLU 53 N 4.73 2.39 0.00 4.98 4.07 -1.18 -2.93 120.64 132.70 1yx0 n GLU 53 Ca -0.14 -4.51 0.00 0.00 -0.06 0.00 0.00 57.16 52.45 1yx0 n GLU 53 Cb 0.47 -2.35 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yx0 n GLY 54 N 1.95 0.26 0.00 8.31 0.00 -1.26 -4.66 105.19 109.80 1yx0 n GLY 54 Ca 0.22 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 45.01 1yx0 n GLY 54 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yx0 n ASP 55 N 0.00 0.83 -4.49 1.61 5.68 -1.26 -4.97 116.55 113.95 1yx0 n ASP 55 Ca 0.00 -0.62 -0.24 0.00 -0.50 0.00 0.00 54.79 53.43 1yx0 n ASP 55 Cb 0.00 1.27 -0.10 0.00 -1.14 0.00 0.00 41.12 41.15 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1yx0 s GLU 56 N -2.86 1.75 0.32 0.11 -1.05 -1.26 -5.11 118.70 110.60 1yx0 s GLU 56 Ca 0.02 -1.76 -0.29 0.00 -0.15 0.00 0.00 54.97 52.80 1yx0 s GLU 56 Cb 0.13 -1.80 -0.10 0.00 -0.44 0.00 0.00 34.13 31.92 1yx0 s GLU 56 CO 0.74 0.31 1.30 -0.48 0.95 0.00 0.00 175.26 178.08 1yx0 s LEU 57 N -3.54 4.43 -0.14 1.83 -0.00 -1.26 -3.12 118.68 116.88 1yx0 s LEU 57 Ca 0.30 2.66 0.09 0.00 -0.00 0.00 0.00 54.13 57.18 1yx0 s LEU 57 Cb -0.04 -3.65 -0.23 0.00 -0.00 0.00 0.00 46.19 42.27 1yx0 s LEU 57 CO 0.16 -0.52 0.27 0.00 -0.00 0.00 0.00 176.35 176.25 1yx0 n ALA 58 N 0.94 1.37 0.00 1.48 0.00 0.49 -4.77 120.51 120.02 1yx0 n ALA 58 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 1yx0 n ALA 58 Cb 0.42 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 1.83 -0.67 3.82 0.00 0.00 0.22 -4.58 105.19 105.81 1yx0 n GLY 59 Ca -0.30 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.90 -0.30 0.17 0.00 0.00 0.50 -4.35 107.32 100.43 1yx0 s GLY 61 Ca 0.10 2.88 0.09 0.00 0.00 0.00 0.00 44.72 47.79 1yx0 s GLY 61 CO 0.05 3.37 -0.10 0.00 0.00 0.00 0.00 173.10 176.42 1yx0 s ALA 62 N 2.60 2.92 -0.03 3.20 0.00 -1.26 0.79 121.76 129.98 1yx0 s ALA 62 Ca -0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.49 1yx0 s ALA 62 Cb -0.08 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1yx0 s ALA 62 CO -0.16 0.49 0.05 -0.48 0.00 0.00 0.00 175.76 175.65 1yx0 s LEU 63 N -2.74 0.58 -0.19 0.00 0.05 -1.18 -1.79 118.68 113.42 1yx0 s LEU 63 Ca 0.24 0.06 -0.17 0.00 0.05 0.00 0.00 54.13 54.31 1yx0 s LEU 63 Cb -0.09 -0.11 -0.04 0.00 -2.05 0.00 0.00 46.19 43.91 1yx0 s LEU 63 CO 0.15 -0.19 0.46 -0.75 -0.55 0.00 0.00 176.35 175.46 1yx0 s LYS 64 N 1.65 4.21 0.84 1.48 2.20 0.75 -4.34 119.74 126.54 1yx0 s LYS 64 Ca -0.02 0.32 -0.15 0.00 -0.36 0.00 0.00 55.97 55.76 1yx0 s LYS 64 Cb -0.12 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 1yx0 s LYS 64 CO -0.03 -0.05 0.16 0.39 -0.36 0.00 0.00 175.35 175.46 1yx0 n GLU 65 N 4.47 0.01 0.00 4.03 1.02 -1.26 -2.88 120.64 126.03 1yx0 n GLU 65 Ca -0.07 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1yx0 n GLU 65 Cb 0.51 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1yx0 n LEU 66 N 0.36 0.00 0.00 -4.62 4.77 -1.13 -4.79 117.00 111.58 1yx0 n LEU 66 Ca 0.06 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.89 1yx0 n LEU 66 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 1yx0 n LEU 66 CO 0.51 -0.20 -0.10 0.47 -1.33 0.00 0.00 177.39 176.74 1yx0 n ASP 67 N -1.61 1.61 -0.29 -1.43 10.43 -0.79 -4.96 116.55 119.51 1yx0 n ASP 67 Ca 0.00 -2.18 -0.01 0.00 2.57 0.00 0.00 54.79 55.16 1yx0 n ASP 67 Cb 0.00 0.45 0.11 0.00 1.84 0.00 0.00 41.12 43.52 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 1.30 1.08 -0.54 -3.53 1.03 -2.01 -3.01 112.91 107.21 1yx0 h THR 68 Ca -0.19 -0.33 -0.38 0.00 -0.01 0.00 0.00 66.41 65.50 1yx0 h THR 68 Cb 0.67 0.05 -0.38 0.00 -1.07 0.00 0.00 68.15 67.42 1yx0 h THR 68 CO 0.30 0.17 -0.89 -2.11 -0.01 0.00 0.00 175.52 172.98 1yx0 n ARG 69 N -4.62 2.66 -4.02 0.00 1.85 -1.26 -4.87 116.66 106.40 1yx0 n ARG 69 Ca 0.10 -3.78 -0.17 0.00 -1.00 0.00 0.00 57.85 53.01 1yx0 n ARG 69 Cb 0.12 -1.89 -0.16 0.00 -1.05 0.00 0.00 32.46 29.48 1yx0 n ARG 69 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1yx0 s HIS 70 N -3.45 0.41 0.06 2.89 2.46 -1.14 -1.86 115.29 114.67 1yx0 s HIS 70 Ca 0.42 -0.06 0.02 0.00 0.47 0.00 0.00 55.06 55.90 1yx0 s HIS 70 Cb 0.38 -0.41 -0.03 0.00 -0.13 0.00 0.00 32.58 32.38 1yx0 s HIS 70 CO -0.01 -0.11 -0.07 0.20 -2.47 0.00 0.00 174.74 172.29 1yx0 s GLY 71 N 0.70 0.60 -0.03 1.59 0.00 -1.19 -1.88 107.32 107.11 1yx0 s GLY 71 Ca -0.08 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1yx0 s GLY 71 CO -0.01 -1.11 -0.06 1.85 0.00 0.00 0.00 173.10 173.77 1yx0 s GLU 72 N -2.68 0.80 -0.13 2.90 2.12 -1.14 -1.11 118.70 119.46 1yx0 s GLU 72 Ca -0.00 -0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.07 1yx0 s GLU 72 Cb -0.02 -0.77 -0.04 0.00 0.26 0.00 0.00 34.13 33.55 1yx0 s GLU 72 CO -0.03 0.03 0.11 0.42 -0.54 0.00 0.00 175.26 175.26 1yx0 s ILE 73 N 0.43 5.24 -0.37 -3.70 1.09 -1.11 -0.18 121.20 122.61 1yx0 s ILE 73 Ca -0.06 0.11 0.12 0.00 -1.10 0.00 0.00 60.65 59.72 1yx0 s ILE 73 Cb -0.10 -3.30 0.35 0.00 -1.06 0.00 0.00 42.46 38.35 1yx0 s ILE 73 CO 0.00 0.57 0.76 0.29 -0.10 0.00 0.00 174.94 176.46 1yx0 n LYS 74 N 2.42 0.98 0.00 2.79 5.02 -0.74 -4.31 118.16 124.32 1yx0 n LYS 74 Ca -0.19 -3.29 0.00 0.00 -2.02 0.00 0.00 58.31 52.81 1yx0 n LYS 74 Cb 0.54 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yx0 n SER 75 N 0.27 0.00 -2.84 4.39 7.64 -1.26 -4.67 113.62 117.16 1yx0 n SER 75 Ca 0.23 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.15 1yx0 n SER 75 Cb 0.67 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.87 1yx0 n SER 75 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1yx0 s MET 76 N 0.00 0.06 -0.34 1.43 1.75 -1.26 -4.17 119.30 116.77 1yx0 s MET 76 Ca 0.00 -0.00 0.03 0.00 -1.25 0.00 0.00 55.69 54.47 1yx0 s MET 76 Cb 0.00 0.01 0.10 0.00 2.84 0.00 0.00 34.83 37.78 1yx0 s MET 76 CO 0.00 -0.09 0.05 1.03 -0.65 0.00 0.00 175.02 175.36 1yx0 s ARG 77 N 2.30 1.40 1.05 4.11 3.00 -1.26 -5.11 118.95 124.44 1yx0 s ARG 77 Ca 0.20 -1.78 -0.20 0.00 0.00 0.00 0.00 55.73 53.95 1yx0 s ARG 77 Cb 0.03 -3.07 -0.00 0.00 0.00 0.00 0.00 34.95 31.91 1yx0 s ARG 77 CO -0.18 -0.94 -0.38 2.41 0.00 0.00 0.00 175.30 176.21 1yx0 n THR 78 N 4.32 0.00 -3.97 0.02 -1.04 -1.26 -4.82 114.28 107.53 1yx0 n THR 78 Ca 0.03 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.05 61.47 1yx0 n THR 78 Cb 0.42 -0.40 -0.09 0.00 -1.82 0.00 0.00 70.33 68.43 1yx0 n THR 78 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1yx0 s SER 79 N -1.59 5.71 0.45 8.00 0.15 -1.26 -4.80 113.70 120.36 1yx0 s SER 79 Ca 0.50 0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1yx0 s SER 79 Cb -0.09 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 1yx0 s SER 79 CO 0.68 0.18 0.00 0.00 1.20 0.00 0.00 173.24 175.30 1yx0 n ALA 80 N 3.48 0.00 0.00 5.45 0.00 -1.26 -4.46 120.51 123.72 1yx0 n ALA 80 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1yx0 n ALA 80 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yx0 n SER 81 N -1.57 0.00 -2.14 0.00 2.88 -1.26 -4.42 113.62 107.10 1yx0 n SER 81 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1yx0 n SER 81 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yx0 n SER 81 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1yx0 n HIS 82 N -1.99 -1.73 -4.52 0.66 -0.00 -1.26 -5.07 115.22 101.31 1yx0 n HIS 82 Ca 0.00 0.71 -0.25 0.00 0.46 0.00 0.00 57.72 58.64 1yx0 n HIS 82 Cb 0.00 -2.75 -0.14 0.00 -0.12 0.00 0.00 29.99 26.99 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 -1.63 2.21 -0.62 0.27 0.05 -1.26 -5.10 118.68 112.60 1yx0 s LEU 83 Ca 0.10 -0.57 -0.15 0.00 0.05 0.00 0.00 54.13 53.56 1yx0 s LEU 83 Cb -0.03 -0.94 0.16 0.00 -2.05 0.00 0.00 46.19 43.33 1yx0 s LEU 83 CO 0.37 0.12 0.57 -0.13 -0.55 0.00 0.00 176.35 176.73 1yx0 s ARG 84 N -1.42 3.13 0.39 1.48 3.00 -1.26 -4.64 118.95 119.63 1yx0 s ARG 84 Ca 0.07 -1.94 0.00 0.00 0.00 0.00 0.00 55.73 53.86 1yx0 s ARG 84 Cb -0.09 -4.31 0.00 0.00 0.00 0.00 0.00 34.95 30.55 1yx0 s ARG 84 CO 0.03 -1.31 0.00 1.63 0.00 0.00 0.00 175.30 175.65 1yx0 n LYS 85 N 4.84 0.00 0.00 3.54 5.02 -1.26 -5.10 118.16 125.20 1yx0 n LYS 85 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1yx0 n LYS 85 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.43 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yx0 n GLY 86 N 0.14 0.44 0.47 0.72 0.00 -1.26 -4.93 105.19 100.76 1yx0 n GLY 86 Ca 0.00 -0.79 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.52 1.61 2.07 -1.92 0.71 116.25 118.19 1yx0 h VAL 87 Ca 0.00 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1yx0 h VAL 87 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 1yx0 h VAL 87 CO 0.00 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.91 1yx0 h ALA 88 N -1.36 0.67 -0.63 1.67 0.00 -1.92 -1.20 119.26 116.48 1yx0 h ALA 88 Ca -0.12 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1yx0 h ALA 88 Cb 0.90 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1yx0 h ALA 88 CO 0.20 0.14 0.33 0.87 0.00 0.00 0.00 179.25 180.79 1yx0 h LYS 89 N 0.70 0.59 -0.01 0.00 1.57 -1.94 1.06 116.57 118.54 1yx0 h LYS 89 Ca 0.19 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1yx0 h LYS 89 Cb -0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1yx0 h LYS 89 CO -0.04 0.39 -0.07 1.96 -0.57 0.00 0.00 179.45 181.12 1yx0 h GLN 90 N 0.61 -0.12 0.16 3.15 1.08 0.11 0.31 115.11 120.41 1yx0 h GLN 90 Ca 0.29 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 1yx0 h GLN 90 Cb 0.22 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1yx0 h GLN 90 CO -0.20 -0.08 -0.08 0.28 -0.95 0.00 0.00 178.83 177.80 1yx0 h VAL 91 N -0.12 0.93 -0.49 -0.54 2.07 -0.53 -0.42 116.25 117.15 1yx0 h VAL 91 Ca 0.03 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.26 1yx0 h VAL 91 Cb 0.16 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.00 1yx0 h VAL 91 CO -0.08 0.09 -0.25 0.25 0.02 0.00 0.00 177.57 177.60 1yx0 h LEU 92 N -0.40 -0.85 -0.26 2.57 7.12 0.13 1.50 115.31 125.13 1yx0 h LEU 92 Ca -0.02 0.19 0.04 0.00 0.13 0.00 0.00 57.88 58.21 1yx0 h LEU 92 Cb 0.32 0.45 -0.04 0.00 -0.53 0.00 0.00 40.66 40.85 1yx0 h LEU 92 CO 0.04 -0.26 0.02 -0.61 -0.13 0.00 0.00 178.44 177.49 1yx0 h GLN 93 N -0.14 0.10 -0.44 1.25 -0.00 -0.25 0.70 115.11 116.34 1yx0 h GLN 93 Ca 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.87 1yx0 h GLN 93 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.93 1yx0 h GLN 93 CO -0.57 0.07 0.27 1.25 0.00 0.00 0.00 178.83 179.85 1yx0 h HIS 94 N 0.10 0.56 -0.23 3.99 2.76 0.77 0.50 115.15 123.61 1yx0 h HIS 94 Ca 0.12 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 1yx0 h HIS 94 Cb 0.15 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.86 1yx0 h HIS 94 CO -0.19 0.38 -0.15 0.82 -1.30 0.00 0.00 177.93 177.50 1yx0 h ILE 95 N 0.58 0.58 -0.37 6.26 5.03 0.27 0.70 117.51 130.56 1yx0 h ILE 95 Ca 0.16 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.88 1yx0 h ILE 95 Cb -0.03 0.58 -0.02 0.00 -3.03 0.00 0.00 36.82 34.32 1yx0 h ILE 95 CO -0.03 0.00 0.15 0.40 -0.68 0.00 0.00 178.15 177.99 1yx0 h ILE 96 N -0.13 1.19 -0.82 -0.67 2.04 -0.49 -2.46 117.51 116.17 1yx0 h ILE 96 Ca 0.13 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.49 1yx0 h ILE 96 Cb 0.33 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1yx0 h ILE 96 CO -0.31 0.21 0.47 -0.33 0.00 0.00 0.00 178.15 178.19 1yx0 h GLU 97 N 0.45 0.78 -0.22 2.37 3.07 0.10 0.41 114.58 121.54 1yx0 h GLU 97 Ca 0.12 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.97 1yx0 h GLU 97 Cb 0.19 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1yx0 h GLU 97 CO -0.01 0.52 0.01 0.93 -1.40 0.00 0.00 179.01 179.06 1yx0 h GLU 98 N 0.80 0.09 -0.22 2.33 4.39 0.80 0.26 114.58 123.03 1yx0 h GLU 98 Ca 0.39 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.00 1yx0 h GLU 98 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1yx0 h GLU 98 CO -0.24 0.06 -0.24 0.00 -1.16 0.00 0.00 179.01 177.43 1yx0 h ALA 99 N 1.18 1.19 -0.14 3.43 0.00 -0.86 -2.78 119.26 121.28 1yx0 h ALA 99 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yx0 h ALA 99 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yx0 h ALA 99 CO -0.16 0.52 0.07 0.93 0.00 0.00 0.00 179.25 180.60 1yx0 h GLU 100 N 0.36 0.20 -0.21 0.00 5.08 0.95 0.86 114.58 121.82 1yx0 h GLU 100 Ca 0.06 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1yx0 h GLU 100 Cb 0.62 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1yx0 h GLU 100 CO 0.04 0.25 -0.21 0.87 -1.00 0.00 0.00 179.01 178.97 1yx0 h LYS 101 N 0.10 -0.21 -0.55 2.33 1.79 -0.32 -1.52 116.57 118.18 1yx0 h LYS 101 Ca 0.05 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 1yx0 h LYS 101 Cb 0.12 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1yx0 h LYS 101 CO -0.01 -0.14 0.04 0.00 -1.08 0.00 0.00 179.45 178.26 1yx0 h ARG 102 N -0.22 0.95 -1.91 3.15 2.47 -1.31 -3.48 114.38 114.03 1yx0 h ARG 102 Ca 0.13 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 1yx0 h ARG 102 Cb 0.42 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1yx0 h ARG 102 CO -0.35 0.94 0.00 0.41 0.56 0.00 0.00 179.97 181.54 1yx0 n GLY 103 N -0.45 0.76 0.00 0.04 0.00 0.29 -5.09 105.19 100.74 1yx0 n GLY 103 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.95 -3.31 -0.02 1.61 4.01 -0.96 -4.96 117.16 112.57 1yx0 n TYR 104 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1yx0 n TYR 104 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.03 1.84 -3.49 -0.72 2.13 -0.78 -4.76 120.64 113.83 1yx0 n GLU 105 Ca 0.00 0.01 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1yx0 n GLU 105 Cb 0.00 -1.11 -0.02 0.00 0.27 0.00 0.00 31.44 30.58 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 -2.11 1.12 -0.07 5.31 0.52 -1.11 -3.16 118.95 119.46 1yx0 s ARG 106 Ca -0.05 -0.44 -0.04 0.00 -0.52 0.00 0.00 55.73 54.69 1yx0 s ARG 106 Cb 0.02 0.50 0.04 0.00 0.52 0.00 0.00 34.95 36.02 1yx0 s ARG 106 CO 0.15 -0.49 0.17 -0.48 0.02 0.00 0.00 175.30 174.67 1yx0 s LEU 107 N -2.66 0.74 0.34 2.53 0.05 -1.01 -3.16 118.68 115.51 1yx0 s LEU 107 Ca 0.04 0.35 0.07 0.00 0.05 0.00 0.00 54.13 54.64 1yx0 s LEU 107 Cb -0.01 0.47 -0.02 0.00 -2.05 0.00 0.00 46.19 44.58 1yx0 s LEU 107 CO -0.10 -0.14 0.38 -0.44 -0.55 0.00 0.00 176.35 175.50 1yx0 s SER 108 N 1.05 5.59 -0.00 1.48 0.01 -0.27 -2.15 113.70 119.41 1yx0 s SER 108 Ca -0.08 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1yx0 s SER 108 Cb -0.10 -1.06 0.10 0.00 0.21 0.00 0.00 66.02 65.17 1yx0 s SER 108 CO -0.06 -0.41 1.02 -1.48 0.41 0.00 0.00 173.24 172.72 1yx0 s LEU 109 N -4.09 -0.24 -0.44 2.44 0.05 -1.25 -2.75 118.68 112.40 1yx0 s LEU 109 Ca 0.43 -0.12 -0.11 0.00 0.05 0.00 0.00 54.13 54.39 1yx0 s LEU 109 Cb -0.07 1.85 0.08 0.00 -2.05 0.00 0.00 46.19 46.01 1yx0 s LEU 109 CO 0.29 -0.58 0.31 -1.83 -0.55 0.00 0.00 176.35 173.99 1yx0 s GLU 110 N -2.94 2.69 0.05 1.48 4.04 -1.26 -4.34 118.70 118.42 1yx0 s GLU 110 Ca 0.09 -1.49 0.00 0.00 0.04 0.00 0.00 54.97 53.61 1yx0 s GLU 110 Cb -0.00 -3.90 0.00 0.00 0.02 0.00 0.00 34.13 30.25 1yx0 s GLU 110 CO -0.05 -1.02 0.00 -2.37 -1.84 0.00 0.00 175.26 169.98 1yx0 n THR 111 N 4.99 0.54 -4.85 1.83 5.66 -1.26 -5.06 114.28 116.13 1yx0 n THR 111 Ca -0.10 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1yx0 n THR 111 Cb 0.43 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 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 3.11 0.80 2.58 1.09 0.00 -1.16 -4.30 105.19 107.32 1yx0 n GLY 112 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yx0 n SER 113 N -2.41 1.41 -4.80 1.61 3.41 -1.26 -4.55 113.62 107.03 1yx0 n SER 113 Ca 0.00 -2.78 -0.34 0.00 -0.26 0.00 0.00 58.87 55.50 1yx0 n SER 113 Cb 0.00 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 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 -3.02 3.84 0.43 4.33 1.00 -1.25 -4.74 119.30 119.90 1yx0 s MET 114 Ca 0.29 1.31 0.18 0.00 0.00 0.00 0.00 55.69 57.47 1yx0 s MET 114 Cb 0.44 -2.10 1.11 0.00 0.00 0.00 0.00 34.83 34.28 1yx0 s MET 114 CO 0.02 -0.39 1.89 0.00 0.00 0.00 0.00 175.02 176.54 1yx0 h ALA 115 N 1.54 2.22 0.06 3.03 0.00 -1.97 1.54 119.26 125.67 1yx0 h ALA 115 Ca -0.49 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.19 1yx0 h ALA 115 Cb 1.21 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1yx0 h ALA 115 CO 0.59 -0.46 -0.96 1.03 0.00 0.00 0.00 179.25 179.45 1yx0 h SER 116 N 0.37 0.74 -1.18 0.00 0.87 -2.00 -3.31 113.55 109.04 1yx0 h SER 116 Ca 0.41 -0.80 -0.65 0.00 -1.23 0.00 0.00 61.79 59.52 1yx0 h SER 116 Cb 1.06 -0.23 -0.34 0.00 -0.44 0.00 0.00 62.40 62.44 1yx0 h SER 116 CO -0.13 1.46 0.25 0.49 -0.53 0.00 0.00 176.83 178.36 1yx0 n PHE 117 N -3.97 3.08 0.03 2.24 3.72 0.27 -4.68 117.46 118.15 1yx0 n PHE 117 Ca -0.12 -2.69 -0.11 0.00 -0.05 0.00 0.00 57.45 54.48 1yx0 n PHE 117 Cb 0.85 -0.93 -0.08 0.00 -0.94 0.00 0.00 39.48 38.38 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 2.31 -0.15 0.00 -1.08 5.08 0.20 -3.17 114.58 117.77 1yx0 h GLU 118 Ca 0.50 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 1yx0 h GLU 118 Cb 0.88 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1yx0 h GLU 118 CO 1.25 0.34 -0.14 -1.00 -1.00 0.00 0.00 179.01 178.46 1yx0 h PRO 119 N -0.81 0.00 -0.00 2.33 0.13 -1.84 -3.15 132.00 128.65 1yx0 h PRO 119 Ca -0.02 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1yx0 h PRO 119 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1yx0 h PRO 119 CO 0.03 0.14 -0.08 0.00 -0.23 0.00 0.00 178.00 177.85 1yx0 h ALA 120 N 1.86 -0.08 -0.15 -0.56 0.00 -1.86 1.40 119.26 119.88 1yx0 h ALA 120 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1yx0 h ALA 120 Cb 0.85 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1yx0 h ALA 120 CO 0.02 -0.57 -0.17 0.07 0.00 0.00 0.00 179.25 178.60 1yx0 h ARG 121 N -0.13 0.25 -0.16 0.00 0.11 -1.55 -2.32 114.38 110.58 1yx0 h ARG 121 Ca 0.03 -0.07 -0.15 0.00 0.10 0.00 0.00 59.98 59.89 1yx0 h ARG 121 Cb 0.17 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1yx0 h ARG 121 CO -0.08 0.42 -0.50 0.87 0.10 0.00 0.00 179.97 180.78 1yx0 h LYS 122 N 0.23 0.62 -0.49 0.08 1.57 -1.27 -2.48 116.57 114.83 1yx0 h LYS 122 Ca 0.04 -0.45 0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1yx0 h LYS 122 Cb 0.45 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1yx0 h LYS 122 CO 0.03 1.08 0.34 1.25 -0.57 0.00 0.00 179.45 181.57 1yx0 h LEU 123 N 0.27 0.21 0.01 2.94 5.85 0.23 -1.58 115.31 123.24 1yx0 h LEU 123 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1yx0 h LEU 123 Cb 1.13 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1yx0 h LEU 123 CO 0.11 0.13 -0.00 1.88 -0.34 0.00 0.00 178.44 180.21 1yx0 h TYR 124 N 0.23 -0.01 -0.91 1.25 -1.99 -1.25 -3.21 116.97 111.09 1yx0 h TYR 124 Ca 0.23 -0.00 0.19 0.00 2.00 0.00 0.00 58.73 61.15 1yx0 h TYR 124 Cb 0.60 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.22 1yx0 h TYR 124 CO -0.00 0.57 0.47 0.93 -0.00 0.00 0.00 178.16 180.13 1yx0 h GLU 125 N -0.59 0.55 0.00 4.88 5.08 -0.85 1.51 114.58 125.16 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 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1yx0 h GLU 125 CO 0.00 0.37 0.00 0.45 -1.00 0.00 0.00 179.01 178.83 1yx0 n SER 126 N -4.91 0.44 0.02 1.42 2.88 -0.76 -0.22 113.62 112.49 1yx0 n SER 126 Ca 0.21 0.69 0.11 0.00 -1.33 0.00 0.00 58.87 58.55 1yx0 n SER 126 Cb 0.57 -0.75 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.07 0.24 0.00 0.66 7.35 0.51 -4.96 117.46 119.19 1yx0 n PHE 127 Ca -0.00 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1yx0 n PHE 127 Cb 0.06 -0.50 0.00 0.00 0.35 0.00 0.00 39.48 39.39 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1yx0 n GLY 128 N 1.30 1.16 3.45 7.13 0.00 0.69 -5.11 105.19 113.82 1yx0 n GLY 128 Ca -0.01 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 0.01 -4.43 1.61 3.01 -1.10 -4.89 117.46 111.67 1yx0 n PHE 129 Ca 0.00 0.91 -0.21 0.00 1.01 0.00 0.00 57.45 59.15 1yx0 n PHE 129 Cb 0.00 -2.04 -0.10 0.00 -0.01 0.00 0.00 39.48 37.33 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1yx0 s GLN 130 N -1.06 1.57 0.03 -1.08 -1.52 -1.21 -4.06 119.66 112.32 1yx0 s GLN 130 Ca 0.64 -1.82 -0.26 0.00 -1.95 0.00 0.00 55.36 51.97 1yx0 s GLN 130 Cb -0.89 -1.05 -0.05 0.00 -0.22 0.00 0.00 33.01 30.80 1yx0 s GLN 130 CO 0.57 -0.04 0.79 0.71 -0.25 0.00 0.00 175.29 177.07 1yx0 s TYR 131 N -3.11 3.71 0.36 0.91 2.02 -1.26 -2.96 117.35 117.01 1yx0 s TYR 131 Ca 0.31 1.49 0.06 0.00 -0.37 0.00 0.00 57.07 58.56 1yx0 s TYR 131 Cb 0.06 -2.87 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 1yx0 s TYR 131 CO 0.13 0.21 0.23 0.00 -1.57 0.00 0.00 175.55 174.55 1yx0 n GLU 133 N -0.72 1.14 -2.43 0.00 -0.00 -1.26 -4.24 120.64 113.13 1yx0 n GLU 133 Ca 0.03 0.41 -0.42 0.00 -0.00 0.00 0.00 57.16 57.18 1yx0 n GLU 133 Cb 0.63 -1.87 -0.03 0.00 -0.00 0.00 0.00 31.44 30.18 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1yx0 s PRO 134 N -1.82 4.33 0.00 3.44 0.04 -1.26 -4.61 135.00 135.12 1yx0 s PRO 134 Ca 0.63 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1yx0 s PRO 134 Cb -0.60 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.36 1yx0 s PRO 134 CO 0.57 -0.48 0.00 0.34 0.04 0.00 0.00 177.00 177.47 1yx0 n PHE 135 N 5.35 0.00 -0.05 0.56 -0.00 -1.26 -4.14 117.46 117.92 1yx0 n PHE 135 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 1yx0 n PHE 135 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 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 -2.50 0.00 0.36 3.13 0.00 -1.26 -2.97 120.51 117.27 1yx0 n ALA 136 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1yx0 n ALA 136 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1yx0 n ALA 136 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yx0 h ASP 137 N 0.08 -1.21 -3.30 0.00 1.82 -2.00 -3.42 116.42 108.39 1yx0 h ASP 137 Ca 0.00 0.08 -0.67 0.00 -0.39 0.00 0.00 57.03 56.05 1yx0 h ASP 137 Cb 0.00 0.37 -0.13 0.00 0.68 0.00 0.00 39.33 40.25 1yx0 h ASP 137 CO 0.00 -0.68 -0.63 -0.72 -1.61 0.00 0.00 179.24 175.60 1yx0 s TYR 138 N -5.68 3.13 0.00 0.28 -0.85 -1.16 -5.12 117.35 107.96 1yx0 s TYR 138 Ca -0.17 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.50 1yx0 s TYR 138 Cb 0.03 -1.70 0.00 0.00 0.38 0.00 0.00 41.96 40.67 1yx0 s TYR 138 CO 0.55 0.48 0.00 0.41 -1.52 0.00 0.00 175.55 175.47 1yx0 n GLY 139 N 1.49 -2.94 3.02 5.49 0.00 -1.20 -4.36 105.19 106.68 1yx0 n GLY 139 Ca -0.15 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 -1.95 -3.76 1.61 1.02 -1.26 -4.66 120.64 111.65 1yx0 n GLU 140 Ca 0.00 -0.57 0.01 0.00 -0.02 0.00 0.00 57.16 56.57 1yx0 n GLU 140 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yx0 s ASP 141 N -1.85 -0.05 0.19 1.62 1.11 -1.26 -5.01 116.67 111.42 1yx0 s ASP 141 Ca 0.35 -0.25 0.04 0.00 0.18 0.00 0.00 52.55 52.86 1yx0 s ASP 141 Cb -0.05 0.24 0.07 0.00 1.07 0.00 0.00 42.92 44.25 1yx0 s ASP 141 CO 0.35 -0.46 1.43 1.55 1.18 0.00 0.00 175.17 179.22 1yx0 h PRO 142 N 2.00 0.18 -1.73 8.23 0.13 -2.04 -3.38 132.00 135.39 1yx0 h PRO 142 Ca -0.27 -0.18 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 1yx0 h PRO 142 Cb 1.20 0.05 -0.33 0.00 0.13 0.00 0.00 31.00 32.05 1yx0 h PRO 142 CO 0.30 0.88 -0.91 0.09 -0.23 0.00 0.00 178.00 178.13 1yx0 n ASN 143 N -3.71 -0.87 -3.61 1.44 3.02 -1.26 -5.10 115.26 105.18 1yx0 n ASN 143 Ca -0.03 -2.70 -0.11 0.00 -0.03 0.00 0.00 54.58 51.71 1yx0 n ASN 143 Cb 0.75 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.85 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1yx0 s SER 144 N -0.63 -0.51 0.29 6.41 0.01 -1.26 -4.76 113.70 113.25 1yx0 s SER 144 Ca 0.33 0.82 0.05 0.00 1.31 0.00 0.00 55.95 58.47 1yx0 s SER 144 Cb 0.12 0.78 -0.02 0.00 0.21 0.00 0.00 66.02 67.11 1yx0 s SER 144 CO -0.15 -0.28 0.19 1.33 0.41 0.00 0.00 173.24 174.74 1yx0 n VAL 145 N 1.73 0.00 -4.10 3.43 0.24 -1.26 -4.50 118.33 113.87 1yx0 n VAL 145 Ca -0.13 -1.98 -0.10 0.00 -2.04 0.00 0.00 64.34 60.10 1yx0 n VAL 145 Cb 0.56 0.89 -0.10 0.00 -1.47 0.00 0.00 33.84 33.72 1yx0 n VAL 145 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1yx0 s PHE 146 N -3.00 0.65 0.03 6.34 2.19 -1.26 -2.97 117.98 119.95 1yx0 s PHE 146 Ca 0.27 -0.81 0.01 0.00 0.33 0.00 0.00 56.93 56.73 1yx0 s PHE 146 Cb 0.01 -0.41 -0.02 0.00 -1.31 0.00 0.00 43.02 41.29 1yx0 s PHE 146 CO 0.19 -0.20 -0.05 1.41 1.83 0.00 0.00 175.22 178.40 1yx0 s MET 147 N -3.03 0.38 0.01 10.12 1.75 -1.26 -2.95 119.30 124.32 1yx0 s MET 147 Ca 0.02 -0.59 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 1yx0 s MET 147 Cb 0.01 -0.09 -0.01 0.00 2.84 0.00 0.00 34.83 37.58 1yx0 s MET 147 CO -0.05 0.00 -0.03 -0.08 -0.65 0.00 0.00 175.02 174.22 1yx0 s THR 148 N -1.23 0.16 -0.12 10.11 -1.32 -1.16 -3.86 115.64 118.22 1yx0 s THR 148 Ca -0.11 -0.57 -0.02 0.00 -1.21 0.00 0.00 61.69 59.78 1yx0 s THR 148 Cb -0.09 -0.23 -0.03 0.00 -1.51 0.00 0.00 72.50 70.64 1yx0 s THR 148 CO -0.00 -0.27 -0.06 -0.75 -2.21 0.00 0.00 174.62 171.33 1yx0 s LYS 149 N -0.88 3.29 -0.36 7.08 2.36 -0.91 -3.35 119.74 126.97 1yx0 s LYS 149 Ca -0.08 -0.55 -0.08 0.00 -2.55 0.00 0.00 55.97 52.71 1yx0 s LYS 149 Cb -0.06 -2.76 0.04 0.00 -1.05 0.00 0.00 37.83 34.00 1yx0 s LYS 149 CO -0.00 0.40 0.15 0.21 1.55 0.00 0.00 175.35 177.66 1yx0 s LYS 150 N -0.10 2.70 0.00 4.03 2.20 -1.26 -2.41 119.74 124.90 1yx0 s LYS 150 Ca 0.01 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 54.47 1yx0 s LYS 150 Cb -0.13 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1yx0 s LYS 150 CO 0.03 -0.69 0.40 1.28 -0.36 0.00 0.00 175.35 176.00