#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 -1.20 -0.17 2.03 5.65 -1.25 -5.08 115.29 115.28 1yx0 s HIS 2 Ca 0.00 1.18 -0.07 0.00 0.25 0.00 0.00 55.06 56.43 1yx0 s HIS 2 Cb 0.00 0.25 -0.04 0.00 -1.18 0.00 0.00 32.58 31.61 1yx0 s HIS 2 CO 0.00 -0.81 0.05 0.42 -0.65 0.00 0.00 174.74 173.75 1yx0 s ILE 3 N 2.69 4.74 0.29 0.89 1.01 -1.26 -4.07 121.20 125.49 1yx0 s ILE 3 Ca 0.16 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 1yx0 s ILE 3 Cb -0.15 -3.11 0.05 0.00 0.01 0.00 0.00 42.46 39.26 1yx0 s ILE 3 CO -0.19 0.49 0.85 -1.59 0.00 0.00 0.00 174.94 174.50 1yx0 s LYS 4 N 0.13 1.83 0.26 2.79 -2.85 -1.18 -5.04 119.74 115.68 1yx0 s LYS 4 Ca 0.04 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.59 1yx0 s LYS 4 Cb -0.12 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.09 1yx0 s LYS 4 CO 0.01 -0.85 1.10 0.42 0.10 0.00 0.00 175.35 176.13 1yx0 s ILE 5 N -2.69 3.54 -0.17 3.79 1.09 -1.26 -2.12 121.20 123.38 1yx0 s ILE 5 Ca 0.16 1.51 -0.03 0.00 -1.10 0.00 0.00 60.65 61.19 1yx0 s ILE 5 Cb -0.04 -3.96 -0.02 0.00 -1.06 0.00 0.00 42.46 37.38 1yx0 s ILE 5 CO 0.08 0.35 -0.06 -0.62 -0.10 0.00 0.00 174.94 174.59 1yx0 s ASP 6 N -0.76 4.51 -0.19 3.58 2.15 -0.56 -4.86 116.67 120.54 1yx0 s ASP 6 Ca 0.45 -0.24 0.01 0.00 0.43 0.00 0.00 52.55 53.20 1yx0 s ASP 6 Cb -0.32 -1.74 0.04 0.00 -0.30 0.00 0.00 42.92 40.61 1yx0 s ASP 6 CO 0.40 0.12 -0.10 -0.62 -0.17 0.00 0.00 175.17 174.80 1yx0 s ASP 7 N 0.67 3.29 0.00 -0.34 -1.08 -1.26 -4.49 116.67 113.47 1yx0 s ASP 7 Ca -0.03 -0.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.16 1yx0 s ASP 7 Cb -0.15 -1.19 0.00 0.00 -1.46 0.00 0.00 42.92 40.12 1yx0 s ASP 7 CO 0.02 -0.15 0.00 0.18 0.52 0.00 0.00 175.17 175.75 1yx0 n LEU 8 N 4.71 0.00 -3.92 -1.34 7.99 -1.26 -4.85 117.00 118.33 1yx0 n LEU 8 Ca -0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 56.01 55.50 1yx0 n LEU 8 Cb 0.47 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.79 1yx0 n LEU 8 CO 0.20 0.00 -0.66 0.41 -1.51 0.00 0.00 177.39 175.83 1yx0 n THR 9 N 0.00 0.00 -0.39 -5.08 -1.04 -1.26 -4.61 114.28 101.90 1yx0 n THR 9 Ca 0.00 -0.46 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1yx0 n THR 9 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 2.42 -0.17 0.22 3.41 0.00 -1.26 -4.77 105.19 105.03 1yx0 n GLY 10 Ca 0.06 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1yx0 n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1yx0 h ARG 11 N 0.00 -0.46 -0.62 1.61 1.12 -1.98 0.65 114.38 114.71 1yx0 h ARG 11 Ca 0.00 0.03 0.08 0.00 -1.11 0.00 0.00 59.98 58.98 1yx0 h ARG 11 Cb 0.00 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.03 1yx0 h ARG 11 CO 0.00 -0.15 0.41 0.37 -3.11 0.00 0.00 179.97 177.49 1yx0 h GLN 12 N -0.78 0.52 -0.06 0.20 5.75 -1.97 1.43 115.11 120.20 1yx0 h GLN 12 Ca -0.05 -0.03 -0.19 0.00 -0.15 0.00 0.00 58.65 58.23 1yx0 h GLN 12 Cb 0.52 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 28.96 1yx0 h GLN 12 CO 0.08 0.34 -0.72 0.28 -2.65 0.00 0.00 178.83 176.16 1yx0 h VAL 13 N 0.54 1.35 0.15 2.39 2.07 -1.88 -2.44 116.25 118.42 1yx0 h VAL 13 Ca 0.28 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 1yx0 h VAL 13 Cb 0.40 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1yx0 h VAL 13 CO -0.08 0.62 -0.07 0.58 0.02 0.00 0.00 177.57 178.63 1yx0 h VAL 14 N 0.20 0.99 -0.93 2.57 2.07 0.17 -2.60 116.25 118.71 1yx0 h VAL 14 Ca -0.07 -0.73 0.22 0.00 0.82 0.00 0.00 66.70 66.93 1yx0 h VAL 14 Cb 1.38 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.51 1yx0 h VAL 14 CO 0.14 0.17 0.61 -1.28 0.02 0.00 0.00 177.57 177.24 1yx0 h SER 15 N -0.57 0.40 -0.42 0.57 0.87 0.18 0.83 113.55 115.42 1yx0 h SER 15 Ca -0.02 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 1yx0 h SER 15 Cb 0.43 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1yx0 h SER 15 CO 0.03 0.15 0.03 0.25 -0.53 0.00 0.00 176.83 176.76 1yx0 h LEU 16 N 0.39 0.76 0.07 2.23 6.46 -1.19 0.87 115.31 124.90 1yx0 h LEU 16 Ca 0.49 -0.17 -0.29 0.00 -0.12 0.00 0.00 57.88 57.79 1yx0 h LEU 16 Cb 1.25 -0.20 0.03 0.00 -0.73 0.00 0.00 40.66 41.00 1yx0 h LEU 16 CO -0.19 0.81 -1.16 0.58 -0.62 0.00 0.00 178.44 177.85 1yx0 h VAL 17 N 0.75 1.28 0.05 1.05 2.07 0.72 -3.36 116.25 118.80 1yx0 h VAL 17 Ca 0.15 -2.37 -0.00 0.00 0.82 0.00 0.00 66.70 65.30 1yx0 h VAL 17 Cb 0.41 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1yx0 h VAL 17 CO 0.01 0.73 -0.02 0.78 0.02 0.00 0.00 177.57 179.09 1yx0 h ASN 18 N 0.33 -0.06 0.00 0.57 2.35 0.45 -3.40 115.58 115.82 1yx0 h ASN 18 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1yx0 h ASN 18 Cb 1.83 0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.21 1yx0 h ASN 18 CO 0.23 -0.04 0.00 -1.84 -1.65 0.00 0.00 177.43 174.13 1yx0 n GLU 19 N -2.22 0.00 -0.08 0.81 0.28 0.14 -4.60 120.64 114.97 1yx0 n GLU 19 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.86 1yx0 n GLU 19 Cb 0.03 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.82 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1yx0 h HIS 20 N 0.00 0.00 0.10 -1.84 2.76 -1.28 -3.41 115.15 111.48 1yx0 h HIS 20 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1yx0 h HIS 20 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1yx0 h HIS 20 CO 0.00 0.81 -0.05 -0.07 -1.30 0.00 0.00 177.93 177.32 1yx0 h LEU 21 N -1.00 -0.12 0.00 0.26 3.38 -1.85 -3.50 115.31 112.48 1yx0 h LEU 21 Ca -0.15 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1yx0 h LEU 21 Cb 0.87 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1yx0 h LEU 21 CO -0.09 0.51 0.00 1.57 0.09 0.00 0.00 178.44 180.51 1yx0 n HIS 22 N -4.84 0.00 -1.86 1.13 -0.00 -1.26 -5.15 115.22 103.25 1yx0 n HIS 22 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1yx0 n HIS 22 Cb 0.23 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 1yx0 n HIS 22 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1yx0 n SER 23 N 0.00 -8.07 0.14 0.26 7.64 -1.26 -4.72 113.62 107.62 1yx0 n SER 23 Ca 0.00 1.20 -0.07 0.00 1.01 0.00 0.00 58.87 61.01 1yx0 n SER 23 Cb 0.00 -4.53 -0.03 0.00 -1.01 0.00 0.00 64.21 58.63 1yx0 n SER 23 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1yx0 h MET 24 N 3.73 -0.43 -5.31 1.43 4.05 -1.95 -3.40 114.93 113.04 1yx0 h MET 24 Ca 0.00 0.03 -0.66 0.00 -0.28 0.00 0.00 59.70 58.79 1yx0 h MET 24 Cb 0.00 0.10 -0.16 0.00 -0.80 0.00 0.00 31.60 30.74 1yx0 h MET 24 CO 0.00 -0.28 0.15 0.99 0.23 0.00 0.00 176.91 178.00 1yx0 s THR 25 N -3.02 4.79 -0.30 -0.77 2.01 -1.26 -4.62 115.64 112.46 1yx0 s THR 25 Ca -0.07 -0.07 -0.33 0.00 0.31 0.00 0.00 61.69 61.53 1yx0 s THR 25 Cb 0.01 -4.28 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 1yx0 s THR 25 CO 0.20 -0.73 2.18 -0.11 -0.69 0.00 0.00 174.62 175.47 1yx0 n LEU 26 N 6.38 2.49 0.00 4.42 0.00 -1.26 -4.46 117.00 124.57 1yx0 n LEU 26 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 56.01 56.37 1yx0 n LEU 26 Cb 0.47 -1.34 0.00 0.00 0.00 0.00 0.00 43.42 42.55 1yx0 n LEU 26 CO 0.55 -0.69 0.00 0.80 0.00 0.00 0.00 177.39 178.05 1yx0 n MET 27 N 8.25 0.00 -3.25 1.96 1.56 -1.26 -4.93 117.12 119.44 1yx0 n MET 27 Ca 0.37 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.75 1yx0 n MET 27 Cb 0.29 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.62 1yx0 n MET 27 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1yx0 s SER 28 N -3.01 -0.37 -0.06 6.12 0.01 -1.26 -5.10 113.70 110.03 1yx0 s SER 28 Ca 0.00 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 56.52 1yx0 s SER 28 Cb 0.00 1.43 -0.03 0.00 0.21 0.00 0.00 66.02 67.63 1yx0 s SER 28 CO 0.00 -0.30 1.22 -2.16 0.41 0.00 0.00 173.24 172.42 1yx0 s PRO 29 N 2.37 4.33 0.85 12.44 0.04 -1.26 -5.02 135.00 148.75 1yx0 s PRO 29 Ca 0.12 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1yx0 s PRO 29 Cb -0.11 -3.58 0.10 0.00 0.04 0.00 0.00 34.50 30.95 1yx0 s PRO 29 CO -0.22 -0.49 1.12 -1.25 0.04 0.00 0.00 177.00 176.20 1yx0 s PRO 30 N 2.39 1.64 -0.16 0.56 0.04 -1.26 -4.65 135.00 133.57 1yx0 s PRO 30 Ca 0.56 0.47 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1yx0 s PRO 30 Cb -0.25 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1yx0 s PRO 30 CO 0.21 -1.89 0.16 -1.91 0.04 0.00 0.00 177.00 173.62 1yx0 n GLU 31 N -3.59 -0.40 -0.79 4.56 0.00 -1.26 -4.84 120.64 114.32 1yx0 n GLU 31 Ca 0.07 0.79 -0.23 0.00 0.00 0.00 0.00 57.16 57.79 1yx0 n GLU 31 Cb 0.58 -2.53 -0.02 0.00 0.00 0.00 0.00 31.44 29.46 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1yx0 n SER 32 N -0.95 5.20 -0.67 4.31 3.41 -1.26 -4.23 113.62 119.43 1yx0 n SER 32 Ca 0.01 -2.33 0.13 0.00 -0.26 0.00 0.00 58.87 56.42 1yx0 n SER 32 Cb 0.38 -1.13 0.37 0.00 -0.26 0.00 0.00 64.21 63.57 1yx0 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yx0 n ILE 33 N 4.02 0.08 -2.69 -1.33 0.13 -1.26 -4.19 119.36 114.12 1yx0 n ILE 33 Ca 0.47 -0.37 -0.04 0.00 -1.10 0.00 0.00 62.75 61.71 1yx0 n ILE 33 Cb 0.17 0.77 0.12 0.00 -0.84 0.00 0.00 39.64 39.87 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1yx0 n HIS 34 N 0.61 -2.01 -1.32 9.51 -0.00 -1.26 -5.11 115.22 115.63 1yx0 n HIS 34 Ca 0.17 -1.84 0.00 0.00 0.46 0.00 0.00 57.72 56.51 1yx0 n HIS 34 Cb 0.43 1.46 0.00 0.00 -0.12 0.00 0.00 29.99 31.77 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 -1.13 -2.28 -0.25 1.57 0.00 -1.26 -4.72 120.51 112.44 1yx0 n ALA 35 Ca -0.11 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1yx0 n ALA 35 Cb 0.86 -1.18 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 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 2.09 -1.93 0.00 0.00 5.85 -1.89 -3.47 115.31 115.97 1yx0 h LEU 36 Ca 0.00 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1yx0 h LEU 36 Cb 0.00 0.83 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1yx0 h LEU 36 CO 0.00 -0.33 0.00 0.61 -0.34 0.00 0.00 178.44 178.38 1yx0 n GLY 37 N -1.34 0.38 0.06 3.75 0.00 -1.26 -4.70 105.19 102.08 1yx0 n GLY 37 Ca -0.01 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yx0 h LEU 38 N 0.00 -0.01 0.00 0.99 4.07 -1.98 -2.55 115.31 115.84 1yx0 h LEU 38 Ca 0.00 -0.39 0.00 0.00 0.08 0.00 0.00 57.88 57.57 1yx0 h LEU 38 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1yx0 h LEU 38 CO 0.00 0.38 0.00 -0.62 -1.08 0.00 0.00 178.44 177.12 1yx0 n GLU 39 N -4.91 0.39 0.00 1.13 1.02 -1.26 -3.29 120.64 113.73 1yx0 n GLU 39 Ca -0.08 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1yx0 n GLU 39 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.23 0.00 0.08 3.49 4.81 -0.96 -1.35 118.16 123.00 1yx0 n LYS 40 Ca 0.12 0.55 -0.08 0.00 -0.87 0.00 0.00 58.31 58.02 1yx0 n LYS 40 Cb 0.16 -1.26 0.05 0.00 0.02 0.00 0.00 35.03 33.99 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yx0 h LEU 41 N 0.00 0.33 -5.39 3.14 4.07 -1.73 -3.27 115.31 112.46 1yx0 h LEU 41 Ca 0.00 -0.22 -0.68 0.00 0.08 0.00 0.00 57.88 57.05 1yx0 h LEU 41 Cb 0.00 -0.10 -0.13 0.00 1.08 0.00 0.00 40.66 41.51 1yx0 h LEU 41 CO 0.00 0.96 1.98 0.54 -1.08 0.00 0.00 178.44 180.83 1yx0 n ARG 42 N -3.78 4.11 -4.17 1.13 1.74 -1.15 -4.80 116.66 109.73 1yx0 n ARG 42 Ca -0.03 -3.19 -0.16 0.00 -0.77 0.00 0.00 57.85 53.69 1yx0 n ARG 42 Cb 0.71 -2.52 -0.11 0.00 -1.02 0.00 0.00 32.46 29.52 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1yx0 s GLY 43 N 0.40 0.85 -0.42 -0.13 0.00 -0.45 -4.48 107.32 103.09 1yx0 s GLY 43 Ca 0.55 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 1yx0 s GLY 43 CO -0.12 -1.17 2.71 -1.55 0.00 0.00 0.00 173.10 172.97 1yx0 n PRO 44 N 0.83 1.94 -2.65 2.90 -0.04 -1.26 -3.36 135.00 133.36 1yx0 n PRO 44 Ca -0.18 -1.10 -0.03 0.00 -0.04 0.00 0.00 63.50 62.15 1yx0 n PRO 44 Cb 0.56 -2.12 -0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 3.08 0.09 -3.90 0.54 0.28 -1.26 -5.14 120.64 114.32 1yx0 n GLU 45 Ca 0.41 -0.60 -0.16 0.00 -0.16 0.00 0.00 57.16 56.66 1yx0 n GLU 45 Cb 0.51 -0.02 -0.16 0.00 1.43 0.00 0.00 31.44 33.21 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 0.02 0.11 -0.18 3.84 -1.09 -1.21 -4.92 121.20 117.76 1yx0 s ILE 46 Ca 0.05 0.09 -0.05 0.00 -2.23 0.00 0.00 60.65 58.51 1yx0 s ILE 46 Cb 0.08 -0.20 -0.03 0.00 -1.58 0.00 0.00 42.46 40.73 1yx0 s ILE 46 CO -0.05 0.11 0.01 -0.89 -1.23 0.00 0.00 174.94 172.89 1yx0 s THR 47 N 0.86 4.18 -0.26 2.92 2.01 -1.25 -5.04 115.64 119.06 1yx0 s THR 47 Ca -0.08 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1yx0 s THR 47 Cb -0.12 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 1yx0 s THR 47 CO -0.02 0.46 0.03 -0.36 -0.69 0.00 0.00 174.62 174.04 1yx0 s PHE 48 N 0.62 3.07 0.09 4.92 0.08 -1.26 -1.92 117.98 123.57 1yx0 s PHE 48 Ca -0.00 -0.87 -0.17 0.00 0.12 0.00 0.00 56.93 56.01 1yx0 s PHE 48 Cb -0.14 -2.19 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 1yx0 s PHE 48 CO 0.02 -0.52 0.55 -1.58 -0.10 0.00 0.00 175.22 173.59 1yx0 s TRP 49 N 1.51 3.74 0.14 0.36 0.51 0.49 -1.49 118.94 124.20 1yx0 s TRP 49 Ca 0.04 1.19 0.06 0.00 -2.12 0.00 0.00 56.10 55.27 1yx0 s TRP 49 Cb -0.16 -2.44 -0.04 0.00 -0.81 0.00 0.00 33.47 30.02 1yx0 s TRP 49 CO 0.01 0.55 -0.13 -1.12 -0.51 0.00 0.00 176.95 175.74 1yx0 s SER 50 N -1.28 2.06 -0.11 2.95 0.01 -0.90 0.19 113.70 116.62 1yx0 s SER 50 Ca 0.31 -0.88 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 1yx0 s SER 50 Cb -0.18 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1yx0 s SER 50 CO 0.18 -0.18 -0.08 0.00 0.41 0.00 0.00 173.24 173.58 1yx0 s ALA 51 N -2.46 1.31 -0.17 1.44 0.00 -0.94 -3.09 121.76 117.85 1yx0 s ALA 51 Ca 0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1yx0 s ALA 51 Cb -0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1yx0 s ALA 51 CO 0.03 -0.35 -0.08 -1.58 0.00 0.00 0.00 175.76 173.78 1yx0 s TRP 52 N 1.58 2.91 -0.63 0.00 0.52 -1.26 0.20 118.94 122.26 1yx0 s TRP 52 Ca 0.03 -0.67 0.05 0.00 0.02 0.00 0.00 56.10 55.52 1yx0 s TRP 52 Cb -0.13 -1.96 0.19 0.00 -1.15 0.00 0.00 33.47 30.43 1yx0 s TRP 52 CO -0.07 -0.29 0.53 -1.91 0.02 0.00 0.00 176.95 175.23 1yx0 n GLU 53 N 3.95 1.68 0.00 4.98 2.13 -1.16 -3.80 120.64 128.41 1yx0 n GLU 53 Ca -0.18 -4.26 0.00 0.00 0.66 0.00 0.00 57.16 53.38 1yx0 n GLU 53 Cb 0.52 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.10 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx0 n GLY 54 N 1.82 0.07 0.03 8.31 0.00 -1.26 -4.57 105.19 109.60 1yx0 n GLY 54 Ca 0.24 -1.64 0.11 0.00 0.00 0.00 0.00 46.02 44.73 1yx0 n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yx0 n ASP 55 N 0.00 0.58 -4.37 1.61 -0.08 -1.26 -4.91 116.55 108.12 1yx0 n ASP 55 Ca 0.00 -0.23 -0.29 0.00 -1.51 0.00 0.00 54.79 52.76 1yx0 n ASP 55 Cb 0.00 0.97 -0.13 0.00 2.34 0.00 0.00 41.12 44.29 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1yx0 s GLU 56 N -3.23 1.49 0.61 -0.67 2.02 -1.26 -5.11 118.70 112.55 1yx0 s GLU 56 Ca 0.02 -1.27 -0.18 0.00 0.02 0.00 0.00 54.97 53.57 1yx0 s GLU 56 Cb 0.14 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 1yx0 s GLU 56 CO 0.82 0.46 0.93 1.47 0.02 0.00 0.00 175.26 178.96 1yx0 n LEU 57 N 1.17 3.57 -0.07 1.80 -0.00 -1.26 -3.00 117.00 119.21 1yx0 n LEU 57 Ca -0.18 0.78 -0.02 0.00 -0.00 0.00 0.00 56.01 56.59 1yx0 n LEU 57 Cb 0.53 -1.38 -0.16 0.00 -0.00 0.00 0.00 43.42 42.41 1yx0 n LEU 57 CO 0.23 -1.97 -1.01 0.00 -0.00 0.00 0.00 177.39 174.64 1yx0 n ALA 58 N -1.83 1.97 0.00 1.47 0.00 0.55 -4.64 120.51 118.03 1yx0 n ALA 58 Ca 0.14 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1yx0 n ALA 58 Cb 0.48 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 1.57 -1.31 3.25 0.00 0.00 -0.23 -4.81 105.19 103.66 1yx0 n GLY 59 Ca -0.22 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.91 -0.48 0.13 0.00 0.00 0.50 -4.11 107.32 100.45 1yx0 s GLY 61 Ca 0.10 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.48 1yx0 s GLY 61 CO -0.07 0.20 -0.09 0.00 0.00 0.00 0.00 173.10 173.14 1yx0 s ALA 62 N -3.45 1.30 -0.29 3.20 0.00 -1.03 0.18 121.76 121.67 1yx0 s ALA 62 Ca 0.04 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 1yx0 s ALA 62 Cb -0.01 0.07 0.11 0.00 0.00 0.00 0.00 23.12 23.29 1yx0 s ALA 62 CO -0.08 -0.12 0.67 -1.17 0.00 0.00 0.00 175.76 175.06 1yx0 s LEU 63 N -3.06 -1.07 -0.09 0.00 0.20 -0.81 -2.56 118.68 111.30 1yx0 s LEU 63 Ca 0.14 1.54 0.04 0.00 0.69 0.00 0.00 54.13 56.53 1yx0 s LEU 63 Cb 0.03 2.32 -0.01 0.00 -0.43 0.00 0.00 46.19 48.09 1yx0 s LEU 63 CO -0.01 -0.22 -0.20 -0.75 -0.29 0.00 0.00 176.35 174.88 1yx0 s LYS 64 N 2.46 2.89 0.34 1.98 2.20 -1.23 -3.85 119.74 124.52 1yx0 s LYS 64 Ca -0.07 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.44 1yx0 s LYS 64 Cb -0.10 -2.35 -0.11 0.00 -1.51 0.00 0.00 37.83 33.77 1yx0 s LYS 64 CO -0.19 0.32 1.39 -1.83 -0.36 0.00 0.00 175.35 174.68 1yx0 s GLU 65 N 0.01 4.26 0.00 4.03 -1.05 -1.26 -3.81 118.70 120.88 1yx0 s GLU 65 Ca -0.07 2.36 0.00 0.00 -0.15 0.00 0.00 54.97 57.11 1yx0 s GLU 65 Cb -0.15 -3.04 0.00 0.00 -0.44 0.00 0.00 34.13 30.50 1yx0 s GLU 65 CO 0.05 -0.34 0.00 1.28 0.95 0.00 0.00 175.26 177.20 1yx0 n LEU 66 N 0.89 0.00 -5.01 1.83 4.32 -0.90 -4.99 117.00 113.15 1yx0 n LEU 66 Ca 0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.77 1yx0 n LEU 66 Cb 0.41 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 42.32 1yx0 n LEU 66 CO 0.61 0.00 0.55 -1.81 -1.22 0.00 0.00 177.39 175.52 1yx0 s ASP 67 N 0.24 4.29 0.52 -1.43 -0.00 -0.84 -4.94 116.67 114.50 1yx0 s ASP 67 Ca 0.00 -0.56 0.22 0.00 -0.00 0.00 0.00 52.55 52.21 1yx0 s ASP 67 Cb 0.00 0.26 1.40 0.00 -0.00 0.00 0.00 42.92 44.58 1yx0 s ASP 67 CO 0.00 -1.92 2.12 0.71 -0.00 0.00 0.00 175.17 176.08 1yx0 h THR 68 N -0.51 0.81 -0.56 -1.27 1.35 -2.04 -3.11 112.91 107.56 1yx0 h THR 68 Ca -0.33 -0.27 -0.27 0.00 -0.55 0.00 0.00 66.41 64.98 1yx0 h THR 68 Cb 1.26 1.16 -0.37 0.00 -1.73 0.00 0.00 68.15 68.48 1yx0 h THR 68 CO 0.37 0.07 -1.04 -2.11 -0.25 0.00 0.00 175.52 172.56 1yx0 n ARG 69 N -4.09 1.48 -3.73 4.72 1.85 -1.26 -5.02 116.66 110.60 1yx0 n ARG 69 Ca -0.03 -3.16 -0.14 0.00 -1.00 0.00 0.00 57.85 53.53 1yx0 n ARG 69 Cb 0.16 -1.25 -0.09 0.00 -1.05 0.00 0.00 32.46 30.23 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 -3.07 -0.28 0.24 2.89 2.46 -1.18 -1.87 115.29 114.47 1yx0 s HIS 70 Ca 0.25 0.51 -0.18 0.00 0.47 0.00 0.00 55.06 56.11 1yx0 s HIS 70 Cb 0.38 0.14 0.02 0.00 -0.13 0.00 0.00 32.58 32.99 1yx0 s HIS 70 CO -0.02 -0.38 0.59 0.20 -2.47 0.00 0.00 174.74 172.66 1yx0 s GLY 71 N -1.01 0.01 -0.03 1.59 0.00 -1.26 -1.99 107.32 104.63 1yx0 s GLY 71 Ca -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 1yx0 s GLY 71 CO 0.04 -0.25 0.08 1.85 0.00 0.00 0.00 173.10 174.82 1yx0 s GLU 72 N -3.91 0.09 0.14 2.90 2.12 -1.25 -2.03 118.70 116.75 1yx0 s GLU 72 Ca 0.12 0.13 -0.14 0.00 0.36 0.00 0.00 54.97 55.44 1yx0 s GLU 72 Cb -0.03 0.02 -0.07 0.00 0.26 0.00 0.00 34.13 34.31 1yx0 s GLU 72 CO 0.03 -0.03 0.54 0.42 -0.54 0.00 0.00 175.26 175.68 1yx0 s ILE 73 N 0.15 4.88 0.00 -3.70 1.09 -0.95 -3.58 121.20 119.09 1yx0 s ILE 73 Ca -0.01 0.79 0.00 0.00 -1.10 0.00 0.00 60.65 60.33 1yx0 s ILE 73 Cb -0.02 -3.73 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1yx0 s ILE 73 CO -0.00 0.24 0.00 0.29 -0.10 0.00 0.00 174.94 175.37 1yx0 n LYS 74 N 0.80 0.00 -1.66 2.79 4.01 -1.06 -4.53 118.16 118.52 1yx0 n LYS 74 Ca -0.05 0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.24 1yx0 n LYS 74 Cb 0.52 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.99 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1yx0 n SER 75 N 0.00 2.63 0.00 4.39 2.88 -1.26 -4.80 113.62 117.46 1yx0 n SER 75 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1yx0 n SER 75 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.16 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 4.18 0.00 -3.70 -1.46 0.00 -1.26 -2.46 117.12 112.43 1yx0 n MET 76 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.80 1yx0 n MET 76 Cb 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.40 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 0.00 1.09 -0.21 2.12 1.70 -1.26 -5.12 118.95 117.27 1yx0 s ARG 77 Ca 0.00 -0.80 -0.27 0.00 -0.47 0.00 0.00 55.73 54.19 1yx0 s ARG 77 Cb 0.00 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.91 1yx0 s ARG 77 CO 0.00 -0.42 0.76 -0.08 -1.08 0.00 0.00 175.30 174.48 1yx0 s THR 78 N -3.83 0.00 -0.34 4.99 -1.32 -1.26 -4.77 115.64 109.11 1yx0 s THR 78 Ca 0.05 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.52 1yx0 s THR 78 Cb 0.02 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.29 1yx0 s THR 78 CO -0.10 0.00 1.23 -1.20 -2.21 0.00 0.00 174.62 172.35 1yx0 n SER 79 N 2.10 -1.36 0.00 8.08 7.64 -1.26 -5.04 113.62 123.77 1yx0 n SER 79 Ca -0.15 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 57.87 1yx0 n SER 79 Cb 0.56 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 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 1.46 2.76 -0.04 -0.43 0.00 -1.26 -4.99 120.51 118.02 1yx0 n ALA 80 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1yx0 n ALA 80 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 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 -2.15 2.97 -2.28 0.00 2.88 -1.26 -5.11 113.62 108.69 1yx0 n SER 81 Ca 0.00 -0.02 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 1yx0 n SER 81 Cb 0.00 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.83 -2.81 -2.24 0.66 -0.00 -1.26 -4.99 115.22 101.75 1yx0 n HIS 82 Ca -0.15 1.40 -0.33 0.00 0.46 0.00 0.00 57.72 59.11 1yx0 n HIS 82 Cb 0.65 -3.16 -0.01 0.00 -0.12 0.00 0.00 29.99 27.34 1yx0 n HIS 82 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1yx0 s LEU 83 N -0.84 3.58 -0.68 0.27 1.98 -1.26 -4.99 118.68 116.73 1yx0 s LEU 83 Ca -0.07 1.72 -0.18 0.00 -2.89 0.00 0.00 54.13 52.70 1yx0 s LEU 83 Cb 0.00 -4.53 0.12 0.00 0.66 0.00 0.00 46.19 42.45 1yx0 s LEU 83 CO 0.53 -0.88 0.79 0.00 -1.89 0.00 0.00 176.35 174.89 1yx0 s ARG 84 N -4.00 3.22 0.08 1.98 1.70 -1.26 -4.42 118.95 116.25 1yx0 s ARG 84 Ca 0.62 -1.56 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 1yx0 s ARG 84 Cb -0.13 -4.40 0.00 0.00 -0.57 0.00 0.00 34.95 29.85 1yx0 s ARG 84 CO 0.33 -1.55 0.00 1.17 -1.08 0.00 0.00 175.30 174.17 1yx0 n LYS 85 N 6.04 0.00 0.00 3.89 3.00 -1.26 -5.06 118.16 124.76 1yx0 n LYS 85 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1yx0 n LYS 85 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.47 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yx0 n GLY 86 N -1.27 -1.52 0.45 3.14 0.00 -1.26 -4.99 105.19 99.74 1yx0 n GLY 86 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.10 1.61 2.07 -1.87 1.26 116.25 119.22 1yx0 h VAL 87 Ca 0.00 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 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 -0.32 0.00 0.02 0.00 0.00 177.57 177.27 1yx0 h ALA 88 N -1.41 1.28 -0.53 1.67 0.00 -1.96 -2.10 119.26 116.21 1yx0 h ALA 88 Ca -0.12 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1yx0 h ALA 88 Cb 0.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1yx0 h ALA 88 CO 0.19 0.50 -0.03 0.87 0.00 0.00 0.00 179.25 180.77 1yx0 h LYS 89 N 0.18 0.96 0.43 0.00 1.57 -1.91 0.14 116.57 117.94 1yx0 h LYS 89 Ca 0.02 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 1yx0 h LYS 89 Cb 0.65 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1yx0 h LYS 89 CO 0.05 0.99 -0.21 1.96 -0.57 0.00 0.00 179.45 181.67 1yx0 h GLN 90 N 0.83 -0.56 0.10 3.15 1.08 0.21 0.14 115.11 120.06 1yx0 h GLN 90 Ca 0.15 0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1yx0 h GLN 90 Cb 0.57 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1yx0 h GLN 90 CO 0.03 -0.33 -0.14 0.28 -0.95 0.00 0.00 178.83 177.73 1yx0 h VAL 91 N -0.66 0.68 -0.67 -0.54 2.07 -1.35 -0.42 116.25 115.35 1yx0 h VAL 91 Ca -0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.60 1yx0 h VAL 91 Cb 0.49 0.68 -0.10 0.00 -1.52 0.00 0.00 31.29 30.84 1yx0 h VAL 91 CO 0.10 0.00 0.14 0.25 0.02 0.00 0.00 177.57 178.08 1yx0 h LEU 92 N -0.28 -0.02 -0.38 2.57 6.46 -0.64 0.48 115.31 123.49 1yx0 h LEU 92 Ca 0.02 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 1yx0 h LEU 92 Cb 0.29 0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1yx0 h LEU 92 CO -0.07 -0.03 0.15 -0.61 -0.62 0.00 0.00 178.44 177.27 1yx0 h GLN 93 N 0.25 0.31 -0.74 1.25 -0.00 0.03 -1.03 115.11 115.18 1yx0 h GLN 93 Ca 0.37 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.98 1yx0 h GLN 93 Cb 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 27.48 27.97 1yx0 h GLN 93 CO -0.47 0.20 0.39 1.25 0.00 0.00 0.00 178.83 180.20 1yx0 h HIS 94 N 0.32 1.04 -0.32 3.99 2.76 0.78 0.15 115.15 123.87 1yx0 h HIS 94 Ca 0.17 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1yx0 h HIS 94 Cb 0.13 -0.33 -0.06 0.00 1.55 0.00 0.00 27.41 28.70 1yx0 h HIS 94 CO -0.13 0.74 -0.09 0.82 -1.30 0.00 0.00 177.93 177.97 1yx0 h ILE 95 N 1.03 0.67 -0.06 6.26 1.08 0.74 1.46 117.51 128.69 1yx0 h ILE 95 Ca 0.26 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1yx0 h ILE 95 Cb 0.06 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.48 1yx0 h ILE 95 CO -0.04 0.00 0.02 0.40 -0.69 0.00 0.00 178.15 177.84 1yx0 h ILE 96 N -0.01 1.18 -0.83 -0.67 2.04 -0.79 -1.59 117.51 116.83 1yx0 h ILE 96 Ca 0.15 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.56 1yx0 h ILE 96 Cb 0.24 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.70 1yx0 h ILE 96 CO -0.33 0.15 0.54 -0.08 0.00 0.00 0.00 178.15 178.43 1yx0 h GLU 97 N -0.11 0.84 0.08 2.37 4.81 0.05 0.52 114.58 123.14 1yx0 h GLU 97 Ca 0.02 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1yx0 h GLU 97 Cb 0.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1yx0 h GLU 97 CO -0.00 0.56 -0.04 1.49 -0.73 0.00 0.00 179.01 180.29 1yx0 h GLU 98 N 0.87 -0.10 -0.04 1.92 4.22 0.24 0.19 114.58 121.87 1yx0 h GLU 98 Ca 0.37 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.74 1yx0 h GLU 98 Cb 0.30 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1yx0 h GLU 98 CO -0.14 0.04 -0.31 0.00 -2.18 0.00 0.00 179.01 176.42 1yx0 h ALA 99 N 0.69 1.40 -0.34 2.92 0.00 -0.54 -1.52 119.26 121.88 1yx0 h ALA 99 Ca -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1yx0 h ALA 99 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1yx0 h ALA 99 CO 0.02 0.44 -0.28 0.93 0.00 0.00 0.00 179.25 180.35 1yx0 h GLU 100 N 0.07 0.72 0.00 0.00 4.39 0.49 1.01 114.58 121.26 1yx0 h GLU 100 Ca 0.01 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.33 1yx0 h GLU 100 Cb 0.59 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1yx0 h GLU 100 CO 0.04 0.91 -0.31 1.57 -1.16 0.00 0.00 179.01 180.07 1yx0 h LYS 101 N 0.61 0.00 0.00 2.33 2.10 -0.10 -3.02 116.57 118.49 1yx0 h LYS 101 Ca 0.08 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.48 1yx0 h LYS 101 Cb 0.79 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.08 1yx0 h LYS 101 CO 0.06 0.31 -1.59 0.54 -2.00 0.00 0.00 179.45 176.78 1yx0 n ARG 102 N -3.36 0.63 -2.18 0.07 5.12 -0.62 -5.01 116.66 111.30 1yx0 n ARG 102 Ca 0.01 0.28 -0.05 0.00 -1.93 0.00 0.00 57.85 56.15 1yx0 n ARG 102 Cb 0.52 -1.80 0.03 0.00 -1.16 0.00 0.00 32.46 30.05 1yx0 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yx0 n GLY 103 N 1.49 0.20 3.93 -0.13 0.00 0.35 -5.05 105.19 105.98 1yx0 n GLY 103 Ca -0.14 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.13 2.25 -0.09 1.61 2.02 -0.92 -4.99 117.35 114.11 1yx0 s TYR 104 Ca 0.12 0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 57.16 1yx0 s TYR 104 Cb -0.02 -3.56 -0.26 0.00 -0.40 0.00 0.00 41.96 37.72 1yx0 s TYR 104 CO 0.25 -1.98 0.48 0.93 -1.57 0.00 0.00 175.55 173.66 1yx0 h GLU 105 N -1.06 0.21 -2.71 -0.62 5.08 -1.74 -3.43 114.58 110.29 1yx0 h GLU 105 Ca -0.44 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 57.61 1yx0 h GLU 105 Cb 1.28 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.53 1yx0 h GLU 105 CO 0.51 1.04 0.32 1.03 -1.00 0.00 0.00 179.01 180.91 1yx0 s ARG 106 N -2.57 1.12 -0.23 2.33 3.00 -1.26 -3.82 118.95 117.52 1yx0 s ARG 106 Ca -0.17 -0.42 -0.02 0.00 0.00 0.00 0.00 55.73 55.11 1yx0 s ARG 106 Cb 0.07 0.51 0.01 0.00 0.00 0.00 0.00 34.95 35.53 1yx0 s ARG 106 CO 0.79 -0.49 -0.07 -0.51 0.00 0.00 0.00 175.30 175.02 1yx0 s LEU 107 N -2.66 2.90 0.22 2.53 1.43 0.25 -4.06 118.68 119.30 1yx0 s LEU 107 Ca 0.03 -0.62 0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1yx0 s LEU 107 Cb -0.01 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1yx0 s LEU 107 CO -0.11 -0.06 0.25 -0.94 0.23 0.00 0.00 176.35 175.73 1yx0 s SER 108 N 1.39 5.88 -0.01 2.29 1.04 -0.86 -0.44 113.70 123.00 1yx0 s SER 108 Ca 0.04 -0.08 -0.29 0.00 0.48 0.00 0.00 55.95 56.09 1yx0 s SER 108 Cb -0.15 -1.62 0.11 0.00 0.10 0.00 0.00 66.02 64.46 1yx0 s SER 108 CO -0.05 -0.03 1.28 -1.48 0.98 0.00 0.00 173.24 173.94 1yx0 s LEU 109 N -3.73 -0.04 -0.30 2.42 0.05 -1.26 -2.25 118.68 113.58 1yx0 s LEU 109 Ca 0.33 -0.17 -0.10 0.00 0.05 0.00 0.00 54.13 54.24 1yx0 s LEU 109 Cb -0.09 1.39 -0.02 0.00 -2.05 0.00 0.00 46.19 45.42 1yx0 s LEU 109 CO 0.26 -0.32 0.16 -1.83 -0.55 0.00 0.00 176.35 174.07 1yx0 s GLU 110 N -2.30 3.51 -0.30 1.48 -1.05 -1.26 -4.19 118.70 114.59 1yx0 s GLU 110 Ca 0.19 -0.61 -0.03 0.00 -0.15 0.00 0.00 54.97 54.37 1yx0 s GLU 110 Cb 0.03 -3.58 0.18 0.00 -0.44 0.00 0.00 34.13 30.31 1yx0 s GLU 110 CO -0.03 -0.35 0.63 -0.08 0.95 0.00 0.00 175.26 176.39 1yx0 s THR 111 N 1.66 -0.97 0.00 1.83 -1.32 -1.26 -5.03 115.64 110.54 1yx0 s THR 111 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1yx0 s THR 111 Cb -0.17 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.82 1yx0 s THR 111 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1yx0 n GLY 112 N 5.43 0.45 0.33 6.08 0.00 -1.20 -2.89 105.19 113.39 1yx0 n GLY 112 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -4.57 1.61 7.64 -1.26 -4.59 113.62 112.45 1yx0 n SER 113 Ca 0.00 -1.54 -0.38 0.00 1.01 0.00 0.00 58.87 57.96 1yx0 n SER 113 Cb 0.00 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.14 1yx0 n SER 113 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1yx0 n MET 114 N 0.00 0.82 -0.19 1.43 2.00 -1.26 -4.45 117.12 115.48 1yx0 n MET 114 Ca 0.00 0.32 0.17 0.00 0.00 0.00 0.00 57.70 58.19 1yx0 n MET 114 Cb 0.61 -2.00 0.52 0.00 0.00 0.00 0.00 33.22 32.35 1yx0 n MET 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yx0 h ALA 115 N 0.54 2.18 -0.00 3.04 0.00 -1.98 1.39 119.26 124.43 1yx0 h ALA 115 Ca -0.47 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 1yx0 h ALA 115 Cb 1.37 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1yx0 h ALA 115 CO 0.50 -0.41 -1.01 0.77 0.00 0.00 0.00 179.25 179.09 1yx0 h SER 116 N 0.38 0.81 -0.85 0.00 0.02 -2.04 -3.26 113.55 108.63 1yx0 h SER 116 Ca 0.40 -0.65 -0.56 0.00 -0.84 0.00 0.00 61.79 60.14 1yx0 h SER 116 Cb 0.99 -0.25 -0.31 0.00 0.14 0.00 0.00 62.40 62.97 1yx0 h SER 116 CO -0.13 1.45 0.25 0.49 -1.14 0.00 0.00 176.83 177.75 1yx0 n PHE 117 N -3.83 2.81 0.01 3.45 3.72 0.59 -4.64 117.46 119.58 1yx0 n PHE 117 Ca -0.10 -2.51 -0.12 0.00 -0.05 0.00 0.00 57.45 54.67 1yx0 n PHE 117 Cb 0.87 -0.97 -0.09 0.00 -0.94 0.00 0.00 39.48 38.35 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 1.83 -0.11 0.00 -1.08 5.08 0.17 -3.21 114.58 117.25 1yx0 h GLU 118 Ca 0.50 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1yx0 h GLU 118 Cb 1.33 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1yx0 h GLU 118 CO 1.16 0.42 0.00 -0.35 -1.00 0.00 0.00 179.01 179.24 1yx0 n PRO 119 N -4.85 0.18 0.12 2.33 -0.04 -1.26 -3.08 135.00 128.38 1yx0 n PRO 119 Ca -0.08 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1yx0 n PRO 119 Cb 0.29 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 1yx0 n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yx0 h ALA 120 N 2.48 -0.21 -0.18 0.55 0.00 -1.85 1.58 119.26 121.63 1yx0 h ALA 120 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1yx0 h ALA 120 Cb 0.51 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1yx0 h ALA 120 CO 0.00 -0.62 -0.58 0.07 0.00 0.00 0.00 179.25 178.13 1yx0 h ARG 121 N -0.21 0.57 -0.27 0.00 0.11 -1.61 -2.69 114.38 110.28 1yx0 h ARG 121 Ca -0.02 -0.38 -0.10 0.00 0.10 0.00 0.00 59.98 59.58 1yx0 h ARG 121 Cb 0.16 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1yx0 h ARG 121 CO 0.03 0.99 -0.27 0.87 0.10 0.00 0.00 179.97 181.69 1yx0 h LYS 122 N 0.43 0.54 -0.45 0.08 1.57 -1.42 -1.91 116.57 115.42 1yx0 h LYS 122 Ca 0.00 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1yx0 h LYS 122 Cb 1.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1yx0 h LYS 122 CO 0.11 0.77 0.24 1.25 -0.57 0.00 0.00 179.45 181.25 1yx0 h LEU 123 N 0.48 0.56 -0.51 2.94 5.85 0.25 -1.15 115.31 123.72 1yx0 h LEU 123 Ca 0.06 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1yx0 h LEU 123 Cb 0.72 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1yx0 h LEU 123 CO 0.06 0.49 0.25 1.88 -0.34 0.00 0.00 178.44 180.78 1yx0 h TYR 124 N 0.59 0.73 -0.33 1.25 0.05 -1.21 0.21 116.97 118.25 1yx0 h TYR 124 Ca 0.16 -0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.91 1yx0 h TYR 124 Cb 0.06 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 1yx0 h TYR 124 CO -0.02 0.57 0.22 0.93 -1.05 0.00 0.00 178.16 178.81 1yx0 h GLU 125 N 0.68 0.42 0.00 4.88 4.39 -1.01 1.50 114.58 125.44 1yx0 h GLU 125 Ca 0.18 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.76 1yx0 h GLU 125 Cb 0.11 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1yx0 h GLU 125 CO -0.02 0.28 -0.59 1.03 -1.16 0.00 0.00 179.01 178.54 1yx0 h SER 126 N 0.43 0.00 0.69 1.42 0.87 -0.53 -3.23 113.55 113.20 1yx0 h SER 126 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1yx0 h SER 126 Cb -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1yx0 h SER 126 CO -0.03 0.40 -1.00 0.33 -0.53 0.00 0.00 176.83 176.00 1yx0 n PHE 127 N -3.12 0.55 0.00 2.24 -0.00 0.67 -5.01 117.46 112.78 1yx0 n PHE 127 Ca 0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1yx0 n PHE 127 Cb 0.71 -0.67 0.00 0.00 -0.00 0.00 0.00 39.48 39.52 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 1.29 0.79 3.29 7.13 0.00 0.50 -5.04 105.19 113.14 1yx0 n GLY 128 Ca 0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1yx0 n GLY 128 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yx0 s PHE 129 N 0.00 -0.09 0.20 1.61 0.40 -1.02 -4.67 117.98 114.41 1yx0 s PHE 129 Ca 0.00 -0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.13 1yx0 s PHE 129 Cb 0.00 0.17 -0.04 0.00 0.51 0.00 0.00 43.02 43.66 1yx0 s PHE 129 CO 0.00 -0.66 0.14 -0.65 0.70 0.00 0.00 175.22 174.75 1yx0 s GLN 130 N -3.83 2.86 -0.24 0.44 -1.52 0.53 -4.78 119.66 113.12 1yx0 s GLN 130 Ca 0.04 -0.97 -0.04 0.00 -1.95 0.00 0.00 55.36 52.44 1yx0 s GLN 130 Cb 0.03 -2.58 -0.00 0.00 -0.22 0.00 0.00 33.01 30.23 1yx0 s GLN 130 CO -0.11 0.45 -0.02 -0.47 -0.25 0.00 0.00 175.29 174.88 1yx0 s TYR 131 N -1.90 3.00 0.37 0.91 5.04 -1.26 -1.46 117.35 122.06 1yx0 s TYR 131 Ca 0.31 -1.01 -0.06 0.00 -2.44 0.00 0.00 57.07 53.88 1yx0 s TYR 131 Cb -0.09 -2.12 0.02 0.00 0.35 0.00 0.00 41.96 40.12 1yx0 s TYR 131 CO 0.23 -0.57 0.59 0.00 -1.34 0.00 0.00 175.55 174.47 1yx0 n GLU 133 N -0.58 -1.47 -2.50 0.00 1.02 -1.26 -4.12 120.64 111.72 1yx0 n GLU 133 Ca -0.02 -0.40 -0.41 0.00 -0.02 0.00 0.00 57.16 56.31 1yx0 n GLU 133 Cb 0.61 -1.89 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.80 4.63 0.00 3.49 0.04 -1.26 -4.75 135.00 133.36 1yx0 s PRO 134 Ca 0.60 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1yx0 s PRO 134 Cb -0.18 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1yx0 s PRO 134 CO 0.66 0.18 0.00 0.34 0.04 0.00 0.00 177.00 178.21 1yx0 n PHE 135 N 1.65 0.00 0.00 0.56 -0.00 -1.26 -4.88 117.46 113.53 1yx0 n PHE 135 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1yx0 n PHE 135 Cb 0.45 0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.99 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 -2.57 0.00 0.12 3.13 0.00 -1.26 -4.83 120.51 115.11 1yx0 n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yx0 n ALA 136 Cb 0.38 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1yx0 n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx0 n ASP 137 N -1.87 -2.00 -3.52 0.00 4.64 -1.26 -5.04 116.55 107.50 1yx0 n ASP 137 Ca 0.00 0.46 -0.32 0.00 -1.38 0.00 0.00 54.79 53.55 1yx0 n ASP 137 Cb 0.00 2.08 0.03 0.00 -1.04 0.00 0.00 41.12 42.18 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1yx0 n TYR 138 N -3.00 -3.79 -1.84 -0.67 4.01 -1.26 -4.98 117.16 105.62 1yx0 n TYR 138 Ca 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1yx0 n TYR 138 Cb 0.00 -1.31 0.00 0.00 -0.31 0.00 0.00 39.34 37.72 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 2.70 4.79 3.07 2.72 0.00 -1.26 -4.59 105.19 112.63 1yx0 n GLY 139 Ca 0.01 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.10 0.00 1.61 1.02 -1.26 -4.83 120.64 117.08 1yx0 n GLU 140 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1yx0 n GLU 140 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 2.63 0.00 0.14 1.62 10.43 -1.26 -4.93 116.55 125.18 1yx0 n ASP 141 Ca -0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1yx0 n ASP 141 Cb 0.59 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.69 1yx0 n ASP 141 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1yx0 h PRO 142 N 0.00 0.00 -0.54 -0.24 0.13 -2.08 -3.39 132.00 125.88 1yx0 h PRO 142 Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1yx0 h PRO 142 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1yx0 h PRO 142 CO 0.00 0.60 -0.49 0.09 -0.23 0.00 0.00 178.00 177.97 1yx0 n ASN 143 N -3.53 -3.20 -3.86 1.44 3.02 -1.26 -5.13 115.26 102.74 1yx0 n ASN 143 Ca -0.00 -3.10 -0.17 0.00 -0.03 0.00 0.00 54.58 51.27 1yx0 n ASN 143 Cb 0.66 1.79 -0.16 0.00 -0.61 0.00 0.00 39.78 41.47 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1yx0 s SER 144 N -0.33 0.55 0.30 6.41 0.15 -1.26 -4.50 113.70 115.02 1yx0 s SER 144 Ca 0.31 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.94 1yx0 s SER 144 Cb 0.11 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.15 1yx0 s SER 144 CO -0.14 -0.06 0.13 1.33 1.20 0.00 0.00 173.24 175.69 1yx0 n VAL 145 N 3.92 0.00 -4.08 4.45 0.24 -1.26 -4.83 118.33 116.77 1yx0 n VAL 145 Ca -0.25 -1.84 -0.10 0.00 -2.04 0.00 0.00 64.34 60.12 1yx0 n VAL 145 Cb 0.52 0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.79 0.73 -0.14 6.34 5.36 -1.14 -3.24 117.98 123.10 1yx0 s PHE 146 Ca 0.19 -1.06 -0.16 0.00 -0.96 0.00 0.00 56.93 54.94 1yx0 s PHE 146 Cb 0.01 -0.28 0.04 0.00 -0.34 0.00 0.00 43.02 42.45 1yx0 s PHE 146 CO 0.13 -0.67 0.44 1.41 -1.46 0.00 0.00 175.22 175.07 1yx0 s MET 147 N -4.05 0.56 0.04 10.12 -2.45 -1.25 -4.15 119.30 118.13 1yx0 s MET 147 Ca 0.26 0.49 0.01 0.00 -1.25 0.00 0.00 55.69 55.19 1yx0 s MET 147 Cb 0.05 0.27 -0.03 0.00 1.25 0.00 0.00 34.83 36.37 1yx0 s MET 147 CO 0.05 -0.09 -0.05 -0.08 1.05 0.00 0.00 175.02 175.89 1yx0 s THR 148 N -0.05 0.36 -0.17 10.11 -1.32 -0.53 -4.02 115.64 120.02 1yx0 s THR 148 Ca -0.02 -1.20 -0.06 0.00 -1.21 0.00 0.00 61.69 59.20 1yx0 s THR 148 Cb -0.03 -0.71 -0.04 0.00 -1.51 0.00 0.00 72.50 70.22 1yx0 s THR 148 CO 0.02 -0.56 0.02 -0.75 -2.21 0.00 0.00 174.62 171.14 1yx0 s LYS 149 N -2.07 3.84 -0.37 7.08 2.47 0.42 0.20 119.74 131.31 1yx0 s LYS 149 Ca -0.08 -0.42 -0.12 0.00 -1.56 0.00 0.00 55.97 53.79 1yx0 s LYS 149 Cb -0.06 -3.08 0.01 0.00 -1.46 0.00 0.00 37.83 33.24 1yx0 s LYS 149 CO -0.02 0.27 0.24 0.21 0.16 0.00 0.00 175.35 176.21 1yx0 s LYS 150 N 0.34 3.07 0.00 4.03 2.20 -1.26 0.85 119.74 128.98 1yx0 s LYS 150 Ca 0.00 -0.93 0.12 0.00 -0.36 0.00 0.00 55.97 54.81 1yx0 s LYS 150 Cb -0.13 -3.80 0.74 0.00 -1.51 0.00 0.00 37.83 33.13 1yx0 s LYS 150 CO 0.01 -0.63 1.17 1.28 -0.36 0.00 0.00 175.35 176.83