#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 -1.26 -0.04 2.03 5.65 -1.22 -5.03 115.29 115.42 1yx0 s HIS 2 Ca 0.00 1.25 0.07 0.00 0.25 0.00 0.00 55.06 56.62 1yx0 s HIS 2 Cb 0.00 0.41 -0.02 0.00 -1.18 0.00 0.00 32.58 31.79 1yx0 s HIS 2 CO 0.00 -0.70 -0.24 0.42 -0.65 0.00 0.00 174.74 173.57 1yx0 s ILE 3 N 2.89 2.15 0.33 0.89 -1.09 -1.26 -1.00 121.20 124.11 1yx0 s ILE 3 Ca 0.14 -1.05 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 1yx0 s ILE 3 Cb -0.13 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 39.00 1yx0 s ILE 3 CO -0.19 0.57 0.54 -1.59 -1.23 0.00 0.00 174.94 173.05 1yx0 s LYS 4 N -0.38 1.89 -0.11 2.79 0.00 -0.92 -4.98 119.74 118.03 1yx0 s LYS 4 Ca 0.03 -1.58 -0.01 0.00 0.00 0.00 0.00 55.97 54.41 1yx0 s LYS 4 Cb -0.12 0.49 -0.02 0.00 0.00 0.00 0.00 37.83 38.17 1yx0 s LYS 4 CO 0.02 -0.81 -0.09 0.42 0.00 0.00 0.00 175.35 174.89 1yx0 s ILE 5 N -3.13 3.46 0.01 3.79 1.01 -1.26 0.23 121.20 125.31 1yx0 s ILE 5 Ca 0.26 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1yx0 s ILE 5 Cb -0.01 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1yx0 s ILE 5 CO 0.16 0.54 -0.16 -0.62 0.00 0.00 0.00 174.94 174.86 1yx0 s ASP 6 N -0.06 1.92 -0.32 3.58 3.68 0.22 -4.79 116.67 120.90 1yx0 s ASP 6 Ca -0.01 -0.37 0.02 0.00 2.13 0.00 0.00 52.55 54.33 1yx0 s ASP 6 Cb -0.14 -0.18 0.10 0.00 -1.45 0.00 0.00 42.92 41.25 1yx0 s ASP 6 CO 0.03 0.15 0.05 -1.81 0.13 0.00 0.00 175.17 173.73 1yx0 s ASP 7 N -0.68 4.41 -0.33 -0.34 -0.00 -1.26 -2.81 116.67 115.66 1yx0 s ASP 7 Ca 0.05 -1.87 -0.29 0.00 -0.00 0.00 0.00 52.55 50.45 1yx0 s ASP 7 Cb -0.07 -1.32 0.04 0.00 -0.00 0.00 0.00 42.92 41.58 1yx0 s ASP 7 CO 0.00 -0.37 0.49 0.18 -0.00 0.00 0.00 175.17 175.46 1yx0 n LEU 8 N 4.50 -2.87 -3.61 1.23 7.99 -1.26 -4.99 117.00 117.99 1yx0 n LEU 8 Ca -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 55.99 1yx0 n LEU 8 Cb 0.42 -1.62 -0.06 0.00 -0.11 0.00 0.00 43.42 42.05 1yx0 n LEU 8 CO 0.18 -0.42 0.70 -0.89 -1.51 0.00 0.00 177.39 175.45 1yx0 s THR 9 N -1.35 -0.07 0.00 -5.08 2.01 -1.26 -5.13 115.64 104.76 1yx0 s THR 9 Ca 0.28 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1yx0 s THR 9 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1yx0 s THR 9 CO 0.64 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 1yx0 n GLY 10 N 3.81 2.02 0.21 4.40 0.00 -1.26 -4.65 105.19 109.73 1yx0 n GLY 10 Ca -0.17 -1.09 -0.15 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.44 0.00 1.61 3.08 -2.00 0.56 114.38 117.19 1yx0 h ARG 11 Ca 0.00 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1yx0 h ARG 11 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1yx0 h ARG 11 CO 0.00 -0.21 -0.25 1.96 -1.07 0.00 0.00 179.97 180.40 1yx0 h GLN 12 N -0.59 0.00 -0.17 0.04 4.20 -1.97 1.34 115.11 117.96 1yx0 h GLN 12 Ca -0.05 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 1yx0 h GLN 12 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1yx0 h GLN 12 CO 0.08 0.25 -0.52 0.28 -0.67 0.00 0.00 178.83 178.24 1yx0 h VAL 13 N 0.00 1.32 0.02 -0.54 2.07 -1.77 -2.45 116.25 114.91 1yx0 h VAL 13 Ca -0.00 -1.77 -0.17 0.00 0.82 0.00 0.00 66.70 65.58 1yx0 h VAL 13 Cb 0.46 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1yx0 h VAL 13 CO 0.03 0.55 -0.66 0.58 0.02 0.00 0.00 177.57 178.09 1yx0 h VAL 14 N 0.34 1.43 -0.94 2.57 2.07 0.61 -3.09 116.25 119.25 1yx0 h VAL 14 Ca -0.02 -2.16 0.21 0.00 0.82 0.00 0.00 66.70 65.55 1yx0 h VAL 14 Cb 1.15 2.68 -0.07 0.00 -1.52 0.00 0.00 31.29 33.52 1yx0 h VAL 14 CO 0.11 0.63 0.61 -1.28 0.02 0.00 0.00 177.57 177.66 1yx0 h SER 15 N -0.12 0.46 -0.36 0.57 0.87 0.17 0.90 113.55 116.04 1yx0 h SER 15 Ca -0.09 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1yx0 h SER 15 Cb 1.39 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1yx0 h SER 15 CO 0.13 0.17 -0.05 0.25 -0.53 0.00 0.00 176.83 176.80 1yx0 h LEU 16 N 0.45 0.66 -1.05 2.23 6.46 -1.42 0.84 115.31 123.48 1yx0 h LEU 16 Ca 0.50 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1yx0 h LEU 16 Cb 1.19 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1yx0 h LEU 16 CO -0.21 0.84 -0.24 0.58 -0.62 0.00 0.00 178.44 178.80 1yx0 h VAL 17 N 0.47 0.56 0.00 1.05 2.07 -0.37 -3.26 116.25 116.77 1yx0 h VAL 17 Ca 0.10 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1yx0 h VAL 17 Cb 0.53 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1yx0 h VAL 17 CO 0.03 0.23 -0.01 0.78 0.02 0.00 0.00 177.57 178.62 1yx0 h ASN 18 N 0.00 0.00 0.00 0.57 2.35 0.11 -3.49 115.58 115.13 1yx0 h ASN 18 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1yx0 h ASN 18 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1yx0 h ASN 18 CO 0.03 0.51 0.00 -1.84 -1.65 0.00 0.00 177.43 174.48 1yx0 n GLU 19 N -4.78 0.00 -0.09 0.81 0.28 0.29 -4.81 120.64 112.34 1yx0 n GLU 19 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.90 1yx0 n GLU 19 Cb 0.01 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.85 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1yx0 n HIS 20 N 0.00 0.36 0.03 -1.84 -0.00 -1.22 -4.70 115.22 107.85 1yx0 n HIS 20 Ca 0.00 0.16 -0.03 0.00 0.46 0.00 0.00 57.72 58.31 1yx0 n HIS 20 Cb 0.00 -0.65 -0.01 0.00 -0.12 0.00 0.00 29.99 29.21 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 -0.15 -6.82 0.27 3.38 -1.93 -3.49 115.31 105.57 1yx0 h LEU 21 Ca -0.06 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.11 1yx0 h LEU 21 Cb 0.89 0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.37 1yx0 h LEU 21 CO -0.04 0.27 0.64 -2.28 0.09 0.00 0.00 178.44 177.13 1yx0 s HIS 22 N -2.12 -0.16 0.00 1.13 2.46 -1.26 -5.09 115.29 110.25 1yx0 s HIS 22 Ca -0.03 0.32 0.00 0.00 0.47 0.00 0.00 55.06 55.82 1yx0 s HIS 22 Cb 0.00 0.10 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 1yx0 s HIS 22 CO 0.08 -0.08 0.29 0.45 -2.47 0.00 0.00 174.74 173.00 1yx0 n SER 23 N 3.50 0.00 -0.28 9.88 2.88 -1.26 -5.03 113.62 123.31 1yx0 n SER 23 Ca -0.15 0.62 0.04 0.00 -1.33 0.00 0.00 58.87 58.04 1yx0 n SER 23 Cb 0.56 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 1yx0 n SER 23 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1yx0 n MET 24 N -1.91 -0.61 -4.11 -1.46 0.00 -1.26 -4.90 117.12 102.87 1yx0 n MET 24 Ca 0.00 0.46 -0.34 0.00 0.00 0.00 0.00 57.70 57.82 1yx0 n MET 24 Cb 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 33.22 32.39 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 -2.36 4.56 1.19 1.12 -1.32 -1.26 -5.10 115.64 112.47 1yx0 s THR 25 Ca 0.00 -0.12 -0.18 0.00 -1.21 0.00 0.00 61.69 60.18 1yx0 s THR 25 Cb 0.00 -3.04 0.29 0.00 -1.51 0.00 0.00 72.50 68.24 1yx0 s THR 25 CO 0.00 0.47 0.65 0.00 -2.21 0.00 0.00 174.62 173.53 1yx0 n LEU 26 N 3.52 0.00 -3.39 9.08 -0.00 -1.26 -4.95 117.00 119.99 1yx0 n LEU 26 Ca -0.17 -0.65 -0.27 0.00 -0.00 0.00 0.00 56.01 54.92 1yx0 n LEU 26 Cb 0.52 -0.83 -0.08 0.00 -0.00 0.00 0.00 43.42 43.04 1yx0 n LEU 26 CO 0.35 -2.59 0.07 1.15 -0.00 0.00 0.00 177.39 176.36 1yx0 n MET 27 N -3.98 2.50 -4.30 1.47 0.00 -1.26 -5.06 117.12 106.49 1yx0 n MET 27 Ca 0.10 -4.63 -0.22 0.00 0.00 0.00 0.00 57.70 52.95 1yx0 n MET 27 Cb 0.45 -2.22 -0.13 0.00 0.00 0.00 0.00 33.22 31.32 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 -2.48 2.25 0.69 3.17 0.01 -1.26 -5.14 113.70 110.94 1yx0 s SER 28 Ca 0.40 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1yx0 s SER 28 Cb 0.16 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.27 1yx0 s SER 28 CO -0.02 0.03 1.06 -2.16 0.41 0.00 0.00 173.24 172.57 1yx0 s PRO 29 N -1.73 2.94 -0.35 12.44 0.04 -1.26 -4.97 135.00 142.11 1yx0 s PRO 29 Ca 0.04 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.75 1yx0 s PRO 29 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1yx0 s PRO 29 CO 0.03 -1.09 1.38 -1.25 0.04 0.00 0.00 177.00 176.11 1yx0 s PRO 30 N -5.04 3.73 0.00 0.56 0.04 -1.26 -4.64 135.00 128.39 1yx0 s PRO 30 Ca 0.58 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1yx0 s PRO 30 Cb -0.14 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1yx0 s PRO 30 CO 0.55 -1.37 0.00 -1.91 0.04 0.00 0.00 177.00 174.31 1yx0 n GLU 31 N 7.74 0.00 -3.63 4.56 2.13 -1.26 -5.17 120.64 125.01 1yx0 n GLU 31 Ca 0.16 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.99 1yx0 n GLU 31 Cb 0.47 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 1yx0 n GLU 31 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1yx0 s SER 32 N 0.00 -0.07 -1.00 4.31 0.15 -1.26 -5.08 113.70 110.74 1yx0 s SER 32 Ca 0.00 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 1yx0 s SER 32 Cb 0.00 0.18 0.26 0.00 -1.71 0.00 0.00 66.02 64.75 1yx0 s SER 32 CO 0.00 -0.33 1.04 -0.38 1.20 0.00 0.00 173.24 174.76 1yx0 n ILE 33 N -0.45 4.00 0.00 6.45 5.41 -1.26 -4.89 119.36 128.61 1yx0 n ILE 33 Ca -0.08 -5.37 0.00 0.00 1.00 0.00 0.00 62.75 58.30 1yx0 n ILE 33 Cb 0.62 -2.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.16 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1yx0 n HIS 34 N 2.19 0.00 -2.18 1.39 8.25 -1.26 -4.77 115.22 118.84 1yx0 n HIS 34 Ca 0.24 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.68 1yx0 n HIS 34 Cb 0.37 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yx0 n ALA 35 N 0.22 -2.78 -1.93 -1.41 0.00 -1.26 -5.06 120.51 108.29 1yx0 n ALA 35 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.46 1yx0 n ALA 35 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 1yx0 n ALA 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1yx0 n LEU 36 N 1.40 0.00 -1.32 0.00 7.94 -1.26 -5.05 117.00 118.71 1yx0 n LEU 36 Ca -0.14 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.74 1yx0 n LEU 36 Cb 0.21 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.18 1yx0 n LEU 36 CO 0.13 0.00 0.27 0.61 -1.11 0.00 0.00 177.39 177.29 1yx0 n GLY 37 N 0.00 0.06 0.00 -3.96 0.00 -1.26 -4.97 105.19 95.06 1yx0 n GLY 37 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.30 0.00 0.00 0.99 4.32 -1.26 0.13 117.00 120.87 1yx0 n LEU 38 Ca -0.09 0.77 0.05 0.00 -0.02 0.00 0.00 56.01 56.71 1yx0 n LEU 38 Cb 0.54 -0.27 0.24 0.00 -1.62 0.00 0.00 43.42 42.31 1yx0 n LEU 38 CO -0.06 -0.27 0.65 -0.62 -1.22 0.00 0.00 177.39 175.88 1yx0 n GLU 39 N -1.80 0.04 0.00 3.23 1.02 -1.26 -3.17 120.64 118.70 1yx0 n GLU 39 Ca 0.00 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1yx0 n GLU 39 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.44 0.00 -1.28 3.49 3.00 0.27 -4.10 118.16 118.09 1yx0 n LYS 40 Ca 0.03 0.32 -0.25 0.00 -0.00 0.00 0.00 58.31 58.42 1yx0 n LYS 40 Cb 0.11 -0.89 -0.09 0.00 0.00 0.00 0.00 35.03 34.16 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yx0 n LEU 41 N -1.47 6.69 -2.66 3.14 4.32 0.34 -4.26 117.00 123.10 1yx0 n LEU 41 Ca 0.00 -3.84 -0.03 0.00 -0.02 0.00 0.00 56.01 52.11 1yx0 n LEU 41 Cb 0.00 -1.41 0.04 0.00 -1.62 0.00 0.00 43.42 40.43 1yx0 n LEU 41 CO 0.00 1.84 0.53 -1.14 -1.22 0.00 0.00 177.39 177.40 1yx0 n ARG 42 N 2.38 0.07 0.00 3.23 0.63 -1.19 -4.94 116.66 116.84 1yx0 n ARG 42 Ca 0.55 -0.68 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1yx0 n ARG 42 Cb 0.60 0.21 0.00 0.00 0.45 0.00 0.00 32.46 33.72 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yx0 n GLY 43 N 2.42 1.53 2.25 5.14 0.00 -1.26 -4.63 105.19 110.64 1yx0 n GLY 43 Ca 0.10 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 1yx0 n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yx0 n PRO 44 N -0.54 1.92 0.00 1.61 -0.04 -1.26 -3.06 135.00 133.63 1yx0 n PRO 44 Ca 0.00 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.37 1yx0 n PRO 44 Cb 0.00 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 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 3.06 0.00 -3.45 0.54 0.28 -1.26 -5.07 120.64 114.74 1yx0 n GLU 45 Ca 0.41 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 57.04 1yx0 n GLU 45 Cb 0.52 -0.26 -0.07 0.00 1.43 0.00 0.00 31.44 33.06 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 -1.52 5.26 -0.02 3.84 1.01 -1.17 -4.98 121.20 123.63 1yx0 s ILE 46 Ca 0.00 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 1yx0 s ILE 46 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 1yx0 s ILE 46 CO 0.00 0.36 0.35 -0.89 0.00 0.00 0.00 174.94 174.76 1yx0 s THR 47 N 0.55 5.14 -0.17 2.92 2.01 -1.26 -4.78 115.64 120.05 1yx0 s THR 47 Ca 0.20 0.66 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 1yx0 s THR 47 Cb -0.14 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1yx0 s THR 47 CO 0.06 0.56 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.07 1yx0 s PHE 48 N -1.10 2.85 -0.24 4.92 0.40 -1.12 -3.66 117.98 120.02 1yx0 s PHE 48 Ca 0.23 -0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 55.45 1yx0 s PHE 48 Cb -0.15 -1.96 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1yx0 s PHE 48 CO 0.12 -0.46 0.33 -1.58 0.70 0.00 0.00 175.22 174.32 1yx0 s TRP 49 N 0.97 3.31 0.36 0.36 0.51 0.41 0.70 118.94 125.55 1yx0 s TRP 49 Ca -0.02 0.44 0.05 0.00 -2.12 0.00 0.00 56.10 54.45 1yx0 s TRP 49 Cb -0.15 -2.48 0.05 0.00 -0.81 0.00 0.00 33.47 30.08 1yx0 s TRP 49 CO -0.01 -0.08 0.39 0.43 -0.51 0.00 0.00 176.95 177.17 1yx0 n SER 50 N 4.76 1.70 -3.63 2.95 7.64 0.13 0.83 113.62 128.01 1yx0 n SER 50 Ca -0.10 -2.08 -0.06 0.00 1.01 0.00 0.00 58.87 57.64 1yx0 n SER 50 Cb 0.51 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 1yx0 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 s ALA 51 N -2.47 -2.06 -0.08 -0.43 0.00 -0.20 -2.18 121.76 114.34 1yx0 s ALA 51 Ca 0.30 1.75 0.02 0.00 0.00 0.00 0.00 51.96 54.03 1yx0 s ALA 51 Cb -0.02 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1yx0 s ALA 51 CO 0.19 -0.22 -0.11 -1.58 0.00 0.00 0.00 175.76 174.04 1yx0 s TRP 52 N -0.44 1.49 -0.52 0.00 0.52 -0.17 -2.21 118.94 117.61 1yx0 s TRP 52 Ca 0.04 -0.61 0.05 0.00 0.02 0.00 0.00 56.10 55.60 1yx0 s TRP 52 Cb -0.03 -1.13 0.17 0.00 -1.15 0.00 0.00 33.47 31.34 1yx0 s TRP 52 CO -0.07 -0.35 0.41 -1.91 0.02 0.00 0.00 176.95 175.05 1yx0 n GLU 53 N 4.12 0.84 0.00 4.98 4.07 -1.20 -3.40 120.64 130.04 1yx0 n GLU 53 Ca -0.20 -3.68 0.00 0.00 -0.06 0.00 0.00 57.16 53.22 1yx0 n GLU 53 Cb 0.51 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 30.00 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yx0 n GLY 54 N 2.44 0.95 1.32 8.31 0.00 -1.26 -4.06 105.19 112.89 1yx0 n GLY 54 Ca 0.26 -1.39 0.05 0.00 0.00 0.00 0.00 46.02 44.95 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 0.72 4.40 -3.94 1.61 10.43 -1.26 -4.93 116.55 123.59 1yx0 n ASP 55 Ca 0.00 -3.08 -0.17 0.00 2.57 0.00 0.00 54.79 54.12 1yx0 n ASP 55 Cb 0.00 -0.62 -0.15 0.00 1.84 0.00 0.00 41.12 42.20 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1yx0 s GLU 56 N -2.87 0.48 -0.45 -1.24 2.02 -1.26 -5.08 118.70 110.30 1yx0 s GLU 56 Ca 0.47 -0.15 -0.33 0.00 0.02 0.00 0.00 54.97 54.98 1yx0 s GLU 56 Cb 0.38 -0.48 -0.12 0.00 0.10 0.00 0.00 34.13 34.01 1yx0 s GLU 56 CO 0.11 0.07 2.28 1.28 0.02 0.00 0.00 175.26 179.02 1yx0 n LEU 57 N 3.21 1.92 -0.01 1.80 7.99 -1.26 -3.28 117.00 127.37 1yx0 n LEU 57 Ca -0.16 0.25 0.11 0.00 -0.01 0.00 0.00 56.01 56.20 1yx0 n LEU 57 Cb 0.56 -1.26 0.52 0.00 -0.11 0.00 0.00 43.42 43.13 1yx0 n LEU 57 CO 0.25 -0.85 1.17 0.00 -1.51 0.00 0.00 177.39 176.44 1yx0 h ALA 58 N 13.37 2.00 0.00 -1.18 0.00 -1.73 -3.46 119.26 128.26 1yx0 h ALA 58 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1yx0 h ALA 58 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1yx0 h ALA 58 CO 1.08 -0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.65 1yx0 n GLY 59 N -1.53 2.03 3.53 0.00 0.00 -1.16 -4.21 105.19 103.86 1yx0 n GLY 59 Ca 0.07 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.12 1.38 0.24 0.00 0.00 0.24 -2.98 107.32 105.09 1yx0 s GLY 61 Ca -0.10 -1.44 -0.10 0.00 0.00 0.00 0.00 44.72 43.08 1yx0 s GLY 61 CO 0.09 -0.95 0.39 0.00 0.00 0.00 0.00 173.10 172.64 1yx0 s ALA 62 N -3.07 0.11 -0.26 3.20 0.00 0.18 0.15 121.76 122.08 1yx0 s ALA 62 Ca 0.29 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 1yx0 s ALA 62 Cb -0.01 1.15 0.09 0.00 0.00 0.00 0.00 23.12 24.36 1yx0 s ALA 62 CO 0.19 -0.79 0.60 -0.48 0.00 0.00 0.00 175.76 175.28 1yx0 s LEU 63 N -3.06 -0.83 0.24 0.00 0.05 -1.24 -0.86 118.68 112.99 1yx0 s LEU 63 Ca 0.27 1.37 -0.07 0.00 0.05 0.00 0.00 54.13 55.74 1yx0 s LEU 63 Cb 0.01 2.06 -0.06 0.00 -2.05 0.00 0.00 46.19 46.15 1yx0 s LEU 63 CO 0.10 -0.23 0.52 -0.75 -0.55 0.00 0.00 176.35 175.45 1yx0 s LYS 64 N 2.08 3.70 -0.47 1.48 2.20 -1.01 -4.50 119.74 123.22 1yx0 s LYS 64 Ca -0.08 0.11 -0.25 0.00 -0.36 0.00 0.00 55.97 55.39 1yx0 s LYS 64 Cb -0.08 -2.68 0.03 0.00 -1.51 0.00 0.00 37.83 33.59 1yx0 s LYS 64 CO -0.18 0.30 0.90 -2.00 -0.36 0.00 0.00 175.35 174.01 1yx0 s GLU 65 N -3.09 3.47 0.00 4.03 2.12 -1.26 -2.98 118.70 120.99 1yx0 s GLU 65 Ca 0.45 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.81 1yx0 s GLU 65 Cb -0.11 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1yx0 s GLU 65 CO 0.25 -1.24 0.00 -0.11 -0.54 0.00 0.00 175.26 173.62 1yx0 n LEU 66 N 7.12 1.12 0.00 2.70 7.94 -1.25 -5.02 117.00 129.61 1yx0 n LEU 66 Ca 0.05 0.08 -0.20 0.00 -1.11 0.00 0.00 56.01 54.83 1yx0 n LEU 66 Cb 0.48 -0.15 -0.02 0.00 0.53 0.00 0.00 43.42 44.26 1yx0 n LEU 66 CO 0.63 -0.15 -0.06 0.47 -1.11 0.00 0.00 177.39 177.17 1yx0 n ASP 67 N -1.35 2.57 0.20 1.96 9.92 -0.24 -5.01 116.55 124.61 1yx0 n ASP 67 Ca 0.00 -2.40 0.08 0.00 -0.53 0.00 0.00 54.79 51.94 1yx0 n ASP 67 Cb 0.00 0.11 0.29 0.00 -0.64 0.00 0.00 41.12 40.88 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yx0 h THR 68 N 0.89 0.56 0.00 -3.53 1.03 -2.03 -3.35 112.91 106.49 1yx0 h THR 68 Ca -0.26 -1.43 -0.06 0.00 -0.01 0.00 0.00 66.41 64.65 1yx0 h THR 68 Cb 0.86 2.00 -0.01 0.00 -1.07 0.00 0.00 68.15 69.93 1yx0 h THR 68 CO 0.42 0.27 -1.22 0.54 -0.01 0.00 0.00 175.52 175.52 1yx0 n ARG 69 N -3.29 1.27 -3.11 0.00 1.74 -1.26 -4.89 116.66 107.11 1yx0 n ARG 69 Ca 0.01 0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.81 1yx0 n ARG 69 Cb 0.53 -1.08 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 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 -2.08 3.46 0.00 -1.55 2.46 -1.26 -1.59 115.29 114.74 1yx0 s HIS 70 Ca -0.04 0.87 0.00 0.00 0.47 0.00 0.00 55.06 56.36 1yx0 s HIS 70 Cb 0.01 -2.29 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 1yx0 s HIS 70 CO 0.10 0.05 0.00 0.41 -2.47 0.00 0.00 174.74 172.83 1yx0 n GLY 71 N -1.01 3.19 3.30 1.59 0.00 -1.26 -1.08 105.19 109.92 1yx0 n GLY 71 Ca 0.01 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 1yx0 n GLY 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yx0 s GLU 72 N -1.97 0.72 -0.17 1.61 4.04 -1.16 -3.86 118.70 117.92 1yx0 s GLU 72 Ca 0.00 -0.02 0.01 0.00 0.04 0.00 0.00 54.97 54.99 1yx0 s GLU 72 Cb 0.00 0.33 0.02 0.00 0.02 0.00 0.00 34.13 34.50 1yx0 s GLU 72 CO 0.00 -0.20 -0.17 0.42 -1.84 0.00 0.00 175.26 173.48 1yx0 s ILE 73 N -1.13 1.80 0.26 1.83 1.09 -0.84 -2.40 121.20 121.81 1yx0 s ILE 73 Ca -0.12 -0.79 0.06 0.00 -1.10 0.00 0.00 60.65 58.70 1yx0 s ILE 73 Cb -0.04 -1.66 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 1yx0 s ILE 73 CO 0.05 0.48 -0.06 -0.75 -0.10 0.00 0.00 174.94 174.56 1yx0 s LYS 74 N 1.39 1.47 0.17 2.79 2.47 -0.04 -4.48 119.74 123.50 1yx0 s LYS 74 Ca 0.05 -1.73 0.00 0.00 -1.56 0.00 0.00 55.97 52.73 1yx0 s LYS 74 Cb -0.13 -1.02 0.00 0.00 -1.46 0.00 0.00 37.83 35.22 1yx0 s LYS 74 CO -0.12 0.03 0.00 0.45 0.16 0.00 0.00 175.35 175.87 1yx0 n SER 75 N -0.51 -2.59 -0.23 1.43 2.88 -1.26 -0.65 113.62 112.68 1yx0 n SER 75 Ca -0.06 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1yx0 n SER 75 Cb 0.63 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1yx0 n SER 75 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1yx0 n MET 76 N -2.92 0.00 -3.74 -1.46 0.00 -1.16 -4.45 117.12 103.39 1yx0 n MET 76 Ca -0.02 0.23 -0.14 0.00 0.00 0.00 0.00 57.70 57.78 1yx0 n MET 76 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.34 1yx0 n MET 76 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1yx0 s ARG 77 N -3.48 0.64 0.42 2.12 3.03 -1.26 -5.03 118.95 115.38 1yx0 s ARG 77 Ca 0.00 -0.02 -0.24 0.00 2.03 0.00 0.00 55.73 57.50 1yx0 s ARG 77 Cb 0.00 0.29 -0.08 0.00 -1.03 0.00 0.00 34.95 34.13 1yx0 s ARG 77 CO 0.00 -0.16 1.13 0.99 -1.13 0.00 0.00 175.30 176.13 1yx0 s THR 78 N -1.00 3.29 0.32 4.99 2.01 -1.26 -4.86 115.64 119.14 1yx0 s THR 78 Ca -0.11 1.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.90 1yx0 s THR 78 Cb -0.04 -3.54 0.07 0.00 0.01 0.00 0.00 72.50 69.00 1yx0 s THR 78 CO 0.04 0.03 0.44 -1.20 -0.69 0.00 0.00 174.62 173.24 1yx0 n SER 79 N -0.17 0.47 -3.71 3.53 7.64 -1.26 -4.98 113.62 115.15 1yx0 n SER 79 Ca 0.06 -1.42 -0.25 0.00 1.01 0.00 0.00 58.87 58.26 1yx0 n SER 79 Cb 0.48 -0.30 0.20 0.00 -1.01 0.00 0.00 64.21 63.58 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 n ALA 80 N -3.04 -2.76 -1.25 -0.43 0.00 -1.26 -4.79 120.51 106.99 1yx0 n ALA 80 Ca -0.07 -1.35 -0.21 0.00 0.00 0.00 0.00 53.44 51.81 1yx0 n ALA 80 Cb 0.25 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.84 6.23 -2.84 0.00 2.88 -1.26 -4.20 113.62 111.59 1yx0 n SER 81 Ca 0.07 -3.03 -0.11 0.00 -1.33 0.00 0.00 58.87 54.46 1yx0 n SER 81 Cb 0.48 -1.22 0.04 0.00 -0.75 0.00 0.00 64.21 62.76 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 1.05 -0.66 -4.19 0.66 -0.00 -1.26 -5.11 115.22 105.71 1yx0 n HIS 82 Ca 0.42 -2.80 -0.14 0.00 -0.00 0.00 0.00 57.72 55.20 1yx0 n HIS 82 Cb 0.62 0.40 -0.10 0.00 -0.00 0.00 0.00 29.99 30.90 1yx0 n HIS 82 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1yx0 s LEU 83 N -2.76 2.45 -0.17 0.27 0.20 -1.26 -5.14 118.68 112.27 1yx0 s LEU 83 Ca 0.29 -0.89 -0.08 0.00 0.69 0.00 0.00 54.13 54.14 1yx0 s LEU 83 Cb 0.38 -0.27 -0.04 0.00 -0.43 0.00 0.00 46.19 45.83 1yx0 s LEU 83 CO -0.04 -0.31 0.09 -0.13 -0.29 0.00 0.00 176.35 175.66 1yx0 s ARG 84 N -3.18 3.92 0.27 1.98 3.00 -1.26 -4.96 118.95 118.72 1yx0 s ARG 84 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 55.73 55.53 1yx0 s ARG 84 Cb -0.00 -3.24 0.00 0.00 0.00 0.00 0.00 34.95 31.70 1yx0 s ARG 84 CO -0.01 0.37 0.00 1.17 0.00 0.00 0.00 175.30 176.83 1yx0 n LYS 85 N 3.26 -1.53 -2.60 3.54 4.81 -1.26 -4.78 118.16 119.60 1yx0 n LYS 85 Ca -0.17 1.24 -0.43 0.00 -0.87 0.00 0.00 58.31 58.08 1yx0 n LYS 85 Cb 0.53 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.83 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1yx0 s GLY 86 N -5.17 1.61 -0.05 3.14 0.00 -1.26 -4.93 107.32 100.65 1yx0 s GLY 86 Ca 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.75 1yx0 s GLY 86 CO 0.00 2.30 0.37 -2.08 0.00 0.00 0.00 173.10 173.69 1yx0 h VAL 87 N 5.62 0.00 -0.28 1.40 2.07 -1.86 -2.62 116.25 120.57 1yx0 h VAL 87 Ca -0.21 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1yx0 h VAL 87 Cb 1.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1yx0 h VAL 87 CO 1.01 0.00 0.19 0.00 0.02 0.00 0.00 177.57 178.78 1yx0 h ALA 88 N -1.21 1.86 -0.23 1.67 0.00 -1.89 0.10 119.26 119.56 1yx0 h ALA 88 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1yx0 h ALA 88 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yx0 h ALA 88 CO 0.05 0.12 0.01 0.87 0.00 0.00 0.00 179.25 180.29 1yx0 h LYS 89 N 0.33 0.34 0.21 0.00 1.57 -1.93 1.45 116.57 118.52 1yx0 h LYS 89 Ca 0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1yx0 h LYS 89 Cb 0.03 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1yx0 h LYS 89 CO -0.02 0.36 -0.10 1.96 -0.57 0.00 0.00 179.45 181.08 1yx0 h GLN 90 N 0.33 -0.27 -0.03 3.15 4.20 -0.41 -2.14 115.11 119.94 1yx0 h GLN 90 Ca 0.08 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1yx0 h GLN 90 Cb 0.22 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 1yx0 h GLN 90 CO 0.00 0.12 0.00 0.28 -0.67 0.00 0.00 178.83 178.57 1yx0 h VAL 91 N -0.80 1.25 -0.86 -0.54 2.07 -1.20 -2.61 116.25 113.55 1yx0 h VAL 91 Ca -0.03 -0.74 0.22 0.00 0.82 0.00 0.00 66.70 66.97 1yx0 h VAL 91 Cb 0.51 1.68 -0.13 0.00 -1.52 0.00 0.00 31.29 31.84 1yx0 h VAL 91 CO 0.05 0.20 0.27 0.25 0.02 0.00 0.00 177.57 178.35 1yx0 h LEU 92 N -0.24 0.09 -0.15 2.57 5.85 0.19 1.43 115.31 125.05 1yx0 h LEU 92 Ca 0.01 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1yx0 h LEU 92 Cb 0.32 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1yx0 h LEU 92 CO 0.00 -0.10 0.05 -0.61 -0.34 0.00 0.00 178.44 177.44 1yx0 h GLN 93 N 0.26 0.13 -0.18 1.25 -0.00 -1.14 0.97 115.11 116.40 1yx0 h GLN 93 Ca 0.54 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 59.09 1yx0 h GLN 93 Cb 1.05 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.49 1yx0 h GLN 93 CO -0.60 0.08 -0.30 1.25 0.00 0.00 0.00 178.83 179.26 1yx0 h HIS 94 N 0.13 0.40 0.10 3.99 2.76 -0.01 0.36 115.15 122.88 1yx0 h HIS 94 Ca 0.06 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1yx0 h HIS 94 Cb 0.04 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 28.90 1yx0 h HIS 94 CO -0.11 0.62 -0.05 0.82 -1.30 0.00 0.00 177.93 177.92 1yx0 h ILE 95 N 0.31 0.92 -0.19 6.26 1.08 0.25 1.11 117.51 127.25 1yx0 h ILE 95 Ca 0.04 -0.07 -0.09 0.00 -0.39 0.00 0.00 64.86 64.35 1yx0 h ILE 95 Cb 0.69 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1yx0 h ILE 95 CO 0.05 0.02 -0.26 0.40 -0.69 0.00 0.00 178.15 177.67 1yx0 h ILE 96 N -0.17 1.26 -0.27 -0.67 2.04 -0.66 -2.51 117.51 116.52 1yx0 h ILE 96 Ca -0.01 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 1yx0 h ILE 96 Cb 0.14 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1yx0 h ILE 96 CO 0.02 0.38 -0.17 -0.08 0.00 0.00 0.00 178.15 178.30 1yx0 h GLU 97 N 0.31 0.60 -0.27 2.37 4.81 -0.33 -0.55 114.58 121.52 1yx0 h GLU 97 Ca 0.05 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1yx0 h GLU 97 Cb 0.63 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.96 1yx0 h GLU 97 CO 0.05 0.86 -0.03 1.49 -0.73 0.00 0.00 179.01 180.64 1yx0 h GLU 98 N 0.33 0.04 -0.15 1.92 4.57 0.15 0.80 114.58 122.24 1yx0 h GLU 98 Ca 0.06 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1yx0 h GLU 98 Cb 0.70 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1yx0 h GLU 98 CO 0.05 0.03 -0.24 0.00 -1.18 0.00 0.00 179.01 177.67 1yx0 h ALA 99 N 1.25 1.33 -0.27 2.92 0.00 -1.42 -2.04 119.26 121.03 1yx0 h ALA 99 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1yx0 h ALA 99 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1yx0 h ALA 99 CO -0.25 0.46 -0.02 0.93 0.00 0.00 0.00 179.25 180.36 1yx0 h GLU 100 N 0.24 0.41 0.17 0.00 4.39 0.61 0.37 114.58 120.78 1yx0 h GLU 100 Ca 0.04 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1yx0 h GLU 100 Cb 0.55 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1yx0 h GLU 100 CO 0.04 0.46 -0.08 0.87 -1.16 0.00 0.00 179.01 179.13 1yx0 h LYS 101 N 0.39 -0.22 -0.85 2.33 1.79 -0.21 -3.16 116.57 116.64 1yx0 h LYS 101 Ca 0.09 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1yx0 h LYS 101 Cb 0.30 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 1yx0 h LYS 101 CO 0.01 0.15 0.46 0.00 -1.08 0.00 0.00 179.45 178.99 1yx0 h ARG 102 N -0.65 1.19 -1.95 3.15 -0.00 -1.24 -3.47 114.38 111.41 1yx0 h ARG 102 Ca -0.02 -0.14 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 1yx0 h ARG 102 Cb 0.48 -0.23 0.00 0.00 0.00 0.00 0.00 29.97 30.21 1yx0 h ARG 102 CO 0.04 0.88 0.00 0.41 0.00 0.00 0.00 179.97 181.30 1yx0 n GLY 103 N -1.13 0.79 3.45 0.04 0.00 0.13 -5.10 105.19 103.37 1yx0 n GLY 103 Ca 0.09 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.92 -3.77 -0.04 1.61 4.01 -1.09 -4.97 117.16 111.99 1yx0 n TYR 104 Ca 0.00 -1.17 -0.20 0.00 -0.16 0.00 0.00 57.90 56.37 1yx0 n TYR 104 Cb 0.32 -0.86 -0.13 0.00 -0.31 0.00 0.00 39.34 38.36 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 -3.32 0.72 -3.49 -0.72 4.07 -0.62 -4.73 120.64 112.55 1yx0 n GLU 105 Ca 0.15 0.22 -0.10 0.00 -0.06 0.00 0.00 57.16 57.37 1yx0 n GLU 105 Cb 0.52 -1.64 -0.02 0.00 -0.06 0.00 0.00 31.44 30.24 1yx0 n GLU 105 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1yx0 s ARG 106 N -2.55 1.12 -0.18 5.31 3.03 -1.26 -3.38 118.95 121.04 1yx0 s ARG 106 Ca -0.26 -0.44 -0.04 0.00 2.03 0.00 0.00 55.73 57.02 1yx0 s ARG 106 Cb 0.07 0.50 -0.02 0.00 -1.03 0.00 0.00 34.95 34.47 1yx0 s ARG 106 CO 0.71 -0.49 -0.02 -0.51 -1.13 0.00 0.00 175.30 173.86 1yx0 s LEU 107 N -2.66 3.19 0.02 -1.89 1.43 0.74 -4.09 118.68 115.42 1yx0 s LEU 107 Ca 0.04 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1yx0 s LEU 107 Cb -0.01 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1yx0 s LEU 107 CO -0.10 0.10 -0.19 -0.44 0.23 0.00 0.00 176.35 175.95 1yx0 s SER 108 N 0.79 3.68 -0.15 2.29 0.01 -1.25 -1.11 113.70 117.96 1yx0 s SER 108 Ca -0.01 -0.42 -0.28 0.00 1.31 0.00 0.00 55.95 56.55 1yx0 s SER 108 Cb -0.14 -0.58 0.07 0.00 0.21 0.00 0.00 66.02 65.58 1yx0 s SER 108 CO 0.02 0.28 0.72 -1.48 0.41 0.00 0.00 173.24 173.19 1yx0 s LEU 109 N -1.23 -0.68 -0.05 2.44 0.05 -1.23 -1.98 118.68 116.00 1yx0 s LEU 109 Ca 0.13 1.00 -0.30 0.00 0.05 0.00 0.00 54.13 55.01 1yx0 s LEU 109 Cb -0.10 2.46 -0.02 0.00 -2.05 0.00 0.00 46.19 46.47 1yx0 s LEU 109 CO 0.04 -0.44 1.03 -1.83 -0.55 0.00 0.00 176.35 174.60 1yx0 s GLU 110 N -0.53 4.46 -0.45 1.48 -1.05 -1.26 -4.07 118.70 117.29 1yx0 s GLU 110 Ca -0.06 1.46 0.05 0.00 -0.15 0.00 0.00 54.97 56.28 1yx0 s GLU 110 Cb -0.02 -3.50 0.29 0.00 -0.44 0.00 0.00 34.13 30.46 1yx0 s GLU 110 CO 0.06 -0.23 1.07 -2.37 0.95 0.00 0.00 175.26 174.74 1yx0 n THR 111 N 4.28 0.00 0.00 1.83 5.66 -1.26 -5.02 114.28 119.77 1yx0 n THR 111 Ca 0.08 -1.37 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 1yx0 n THR 111 Cb 0.49 1.44 0.00 0.00 -1.55 0.00 0.00 70.33 70.71 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 0.88 -0.35 1.25 1.09 0.00 -0.97 -4.27 105.19 102.82 1yx0 n GLY 112 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1yx0 n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yx0 n SER 113 N 0.00 -0.15 -4.78 1.61 7.64 -1.26 -1.06 113.62 115.62 1yx0 n SER 113 Ca 0.00 -0.82 -0.37 0.00 1.01 0.00 0.00 58.87 58.69 1yx0 n SER 113 Cb 0.00 0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1yx0 s MET 114 N 0.01 4.29 0.57 1.43 1.00 -1.26 -4.76 119.30 120.58 1yx0 s MET 114 Ca 0.01 1.55 0.28 0.00 0.00 0.00 0.00 55.69 57.53 1yx0 s MET 114 Cb 0.03 -2.68 1.49 0.00 0.00 0.00 0.00 34.83 33.67 1yx0 s MET 114 CO -0.01 -0.04 1.95 0.00 0.00 0.00 0.00 175.02 176.92 1yx0 h ALA 115 N 2.80 2.24 -0.58 3.03 0.00 -2.01 1.18 119.26 125.91 1yx0 h ALA 115 Ca -0.48 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1yx0 h ALA 115 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1yx0 h ALA 115 CO 0.63 -0.67 0.06 0.77 0.00 0.00 0.00 179.25 180.05 1yx0 h SER 116 N 0.00 0.96 -0.40 0.00 0.02 -2.03 -3.18 113.55 108.91 1yx0 h SER 116 Ca 0.22 -0.28 -0.30 0.00 -0.84 0.00 0.00 61.79 60.59 1yx0 h SER 116 Cb 1.08 -0.26 -0.25 0.00 0.14 0.00 0.00 62.40 63.11 1yx0 h SER 116 CO -0.00 1.00 -0.72 0.49 -1.14 0.00 0.00 176.83 176.46 1yx0 n PHE 117 N -4.28 1.46 0.06 3.45 3.72 0.13 -4.79 117.46 117.21 1yx0 n PHE 117 Ca 0.03 -1.86 -0.13 0.00 -0.05 0.00 0.00 57.45 55.44 1yx0 n PHE 117 Cb 0.30 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 1.68 -0.14 0.00 -1.08 5.08 0.12 -2.95 114.58 117.30 1yx0 h GLU 118 Ca 0.17 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1yx0 h GLU 118 Cb 1.32 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1yx0 h GLU 118 CO 0.40 0.14 -0.07 -1.00 -1.00 0.00 0.00 179.01 177.48 1yx0 h PRO 119 N -0.41 0.00 -0.07 2.33 0.13 -1.85 -3.15 132.00 128.98 1yx0 h PRO 119 Ca -0.01 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1yx0 h PRO 119 Cb 0.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.44 1yx0 h PRO 119 CO 0.02 0.07 -0.09 0.00 -0.23 0.00 0.00 178.00 177.78 1yx0 h ALA 120 N 1.93 -0.03 -0.15 -0.56 0.00 -1.84 0.79 119.26 119.40 1yx0 h ALA 120 Ca -0.00 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1yx0 h ALA 120 Cb 0.80 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1yx0 h ALA 120 CO 0.01 -0.56 -0.28 0.07 0.00 0.00 0.00 179.25 178.49 1yx0 h ARG 121 N -0.12 0.29 0.00 0.00 0.11 -1.53 -1.74 114.38 111.39 1yx0 h ARG 121 Ca 0.06 -0.10 -0.07 0.00 0.10 0.00 0.00 59.98 59.97 1yx0 h ARG 121 Cb 0.20 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1yx0 h ARG 121 CO -0.14 0.55 -0.33 0.87 0.10 0.00 0.00 179.97 181.01 1yx0 h LYS 122 N 0.26 0.00 0.00 0.08 1.57 -1.25 -2.11 116.57 115.12 1yx0 h LYS 122 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1yx0 h LYS 122 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1yx0 h LYS 122 CO 0.05 0.33 -0.63 1.25 -0.57 0.00 0.00 179.45 179.88 1yx0 h LEU 123 N 0.00 0.00 0.08 2.94 6.46 0.14 -2.95 115.31 121.98 1yx0 h LEU 123 Ca -0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1yx0 h LEU 123 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1yx0 h LEU 123 CO 0.04 0.63 -0.04 1.88 -0.62 0.00 0.00 178.44 180.33 1yx0 h TYR 124 N 0.00 -0.10 -0.63 1.25 0.99 -0.89 -3.19 116.97 114.40 1yx0 h TYR 124 Ca -0.01 -0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.84 1yx0 h TYR 124 Cb 1.39 0.03 -0.04 0.00 1.00 0.00 0.00 36.73 39.12 1yx0 h TYR 124 CO 0.00 0.46 0.43 1.05 -0.00 0.00 0.00 178.16 180.10 1yx0 h GLU 125 N -0.82 0.36 0.00 4.88 4.11 -1.49 0.72 114.58 122.34 1yx0 h GLU 125 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1yx0 h GLU 125 Cb 0.60 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1yx0 h GLU 125 CO 0.02 0.24 0.00 0.45 0.07 0.00 0.00 179.01 179.79 1yx0 n SER 126 N -4.46 0.65 0.01 3.06 2.88 -1.11 -1.49 113.62 113.14 1yx0 n SER 126 Ca 0.11 0.69 0.11 0.00 -1.33 0.00 0.00 58.87 58.45 1yx0 n SER 126 Cb 0.44 -0.81 -0.11 0.00 -0.75 0.00 0.00 64.21 62.97 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 -2.24 0.13 0.00 0.66 -0.00 0.25 -4.97 117.46 111.28 1yx0 n PHE 127 Ca 0.01 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1yx0 n PHE 127 Cb 0.19 -0.44 0.00 0.00 -0.00 0.00 0.00 39.48 39.23 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 1.31 2.51 2.57 7.13 0.00 -0.56 -5.11 105.19 113.04 1yx0 n GLY 128 Ca -0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.01 -4.41 1.61 3.01 -1.02 -4.85 117.46 110.78 1yx0 n PHE 129 Ca 0.00 0.61 -0.26 0.00 1.01 0.00 0.00 57.45 58.80 1yx0 n PHE 129 Cb 0.00 -1.43 -0.12 0.00 -0.01 0.00 0.00 39.48 37.92 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 -0.77 1.47 -0.19 -1.08 -0.21 -0.86 -4.09 119.66 113.93 1yx0 s GLN 130 Ca 0.47 -1.49 -0.14 0.00 0.02 0.00 0.00 55.36 54.22 1yx0 s GLN 130 Cb -0.60 -1.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1yx0 s GLN 130 CO 0.46 0.39 0.31 0.71 -2.12 0.00 0.00 175.29 175.03 1yx0 s TYR 131 N -1.66 3.40 0.00 0.91 2.02 -1.26 -1.25 117.35 119.51 1yx0 s TYR 131 Ca 0.19 0.54 0.00 0.00 -0.37 0.00 0.00 57.07 57.44 1yx0 s TYR 131 Cb -0.08 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1yx0 s TYR 131 CO 0.09 0.11 0.00 0.00 -1.57 0.00 0.00 175.55 174.18 1yx0 n GLU 133 N -0.23 -4.00 -1.05 0.00 2.13 -1.26 -4.54 120.64 111.68 1yx0 n GLU 133 Ca 0.00 3.02 -0.31 0.00 0.66 0.00 0.00 57.16 60.53 1yx0 n GLU 133 Cb 0.00 -4.11 -0.02 0.00 0.27 0.00 0.00 31.44 27.58 1yx0 n GLU 133 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1yx0 n PRO 134 N 1.90 2.68 0.00 5.31 -0.04 -1.26 -4.52 135.00 139.07 1yx0 n PRO 134 Ca -0.25 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.37 1yx0 n PRO 134 Cb 0.39 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1yx0 n PRO 134 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1yx0 n PHE 135 N 4.37 -0.78 -0.66 0.54 -0.00 -1.26 -4.15 117.46 115.53 1yx0 n PHE 135 Ca 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 58.09 1yx0 n PHE 135 Cb 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 39.48 39.65 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 -3.00 -1.60 -0.32 3.13 0.00 -1.26 -4.31 120.51 113.15 1yx0 n ALA 136 Ca 0.00 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.89 1yx0 n ALA 136 Cb 0.00 -0.75 0.14 0.00 0.00 0.00 0.00 19.45 18.84 1yx0 n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yx0 n ASP 137 N -2.86 -0.29 -4.79 0.00 8.00 -1.26 -4.23 116.55 111.11 1yx0 n ASP 137 Ca -0.04 1.52 -0.36 0.00 0.71 0.00 0.00 54.79 56.63 1yx0 n ASP 137 Cb 0.29 -0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 1yx0 n ASP 137 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1yx0 s TYR 138 N -6.08 3.51 0.00 1.24 1.13 -1.26 -5.07 117.35 110.82 1yx0 s TYR 138 Ca -0.13 1.71 0.00 0.00 -1.41 0.00 0.00 57.07 57.24 1yx0 s TYR 138 Cb 0.24 -2.92 0.00 0.00 -1.10 0.00 0.00 41.96 38.18 1yx0 s TYR 138 CO 0.69 0.01 0.00 0.41 -2.51 0.00 0.00 175.55 174.15 1yx0 n GLY 139 N 0.13 4.39 3.21 5.49 0.00 -1.26 -4.46 105.19 112.69 1yx0 n GLY 139 Ca 0.04 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.41 0.00 1.61 1.02 -1.26 -4.92 120.64 116.68 1yx0 n GLU 140 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1yx0 n GLU 140 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yx0 n ASP 141 N 0.71 0.00 0.21 1.62 8.00 -1.26 -5.00 116.55 120.84 1yx0 n ASP 141 Ca 0.02 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.66 1yx0 n ASP 141 Cb 0.59 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 42.13 1yx0 n ASP 141 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1yx0 h PRO 142 N 0.00 0.00 -1.71 -0.24 0.13 -2.07 -3.37 132.00 124.75 1yx0 h PRO 142 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 1yx0 h PRO 142 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 1yx0 h PRO 142 CO 0.00 0.00 -0.78 -1.71 -0.23 0.00 0.00 178.00 175.28 1yx0 n ASN 143 N -2.85 -1.67 0.00 1.44 5.15 -1.26 -5.09 115.26 110.98 1yx0 n ASN 143 Ca 0.03 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.36 1yx0 n ASN 143 Cb 0.39 0.42 0.00 0.00 -0.53 0.00 0.00 39.78 40.06 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1yx0 n SER 144 N 2.70 0.00 -4.03 1.20 2.88 -1.26 -4.63 113.62 110.48 1yx0 n SER 144 Ca 0.24 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.70 1yx0 n SER 144 Cb 0.52 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 1yx0 n SER 144 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1yx0 s VAL 145 N 0.00 0.16 0.37 2.46 -7.23 -0.23 -4.44 120.40 111.50 1yx0 s VAL 145 Ca 0.00 -1.29 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1yx0 s VAL 145 Cb 0.00 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.11 1yx0 s VAL 145 CO 0.00 -0.71 0.26 0.12 -0.31 0.00 0.00 175.10 174.46 1yx0 s PHE 146 N -2.50 2.74 -0.02 2.82 5.36 -1.26 -2.29 117.98 122.83 1yx0 s PHE 146 Ca -0.06 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1yx0 s PHE 146 Cb -0.02 -1.89 0.01 0.00 -0.34 0.00 0.00 43.02 40.77 1yx0 s PHE 146 CO -0.05 0.14 -0.05 1.41 -1.46 0.00 0.00 175.22 175.20 1yx0 s MET 147 N -3.98 0.64 -0.00 10.12 1.75 -1.26 -3.54 119.30 123.03 1yx0 s MET 147 Ca 0.42 -0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 1yx0 s MET 147 Cb -0.03 -0.64 0.00 0.00 2.84 0.00 0.00 34.83 37.01 1yx0 s MET 147 CO 0.25 0.04 -0.00 -0.08 -0.65 0.00 0.00 175.02 174.58 1yx0 s THR 148 N 0.33 0.06 0.10 10.11 -1.32 -0.38 -3.58 115.64 120.96 1yx0 s THR 148 Ca -0.04 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.50 1yx0 s THR 148 Cb -0.08 -0.08 -0.04 0.00 -1.51 0.00 0.00 72.50 70.79 1yx0 s THR 148 CO -0.00 0.04 -0.06 -0.75 -2.21 0.00 0.00 174.62 171.63 1yx0 s LYS 149 N 0.18 2.27 -0.20 7.08 2.36 -0.27 -2.03 119.74 129.14 1yx0 s LYS 149 Ca -0.02 -0.96 -0.03 0.00 -2.55 0.00 0.00 55.97 52.42 1yx0 s LYS 149 Cb -0.03 -2.39 -0.00 0.00 -1.05 0.00 0.00 37.83 34.36 1yx0 s LYS 149 CO -0.01 0.52 -0.08 0.21 1.55 0.00 0.00 175.35 177.54 1yx0 s LYS 150 N -2.25 3.32 0.00 4.03 2.20 -1.26 -0.18 119.74 125.59 1yx0 s LYS 150 Ca 0.23 -0.67 0.27 0.00 -0.36 0.00 0.00 55.97 55.44 1yx0 s LYS 150 Cb -0.11 -2.89 0.85 0.00 -1.51 0.00 0.00 37.83 34.18 1yx0 s LYS 150 CO 0.15 -0.14 1.63 1.28 -0.36 0.00 0.00 175.35 177.91