#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 -1.38 -0.07 2.03 5.65 -1.24 -5.08 115.29 115.21 1yx0 s HIS 2 Ca 0.00 1.61 0.04 0.00 0.25 0.00 0.00 55.06 56.96 1yx0 s HIS 2 Cb 0.00 0.54 -0.02 0.00 -1.18 0.00 0.00 32.58 31.92 1yx0 s HIS 2 CO 0.00 -0.74 -0.18 0.42 -0.65 0.00 0.00 174.74 173.58 1yx0 s ILE 3 N 2.86 2.65 0.30 0.89 -1.09 -1.26 -1.36 121.20 124.20 1yx0 s ILE 3 Ca 0.13 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1yx0 s ILE 3 Cb -0.14 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.70 1yx0 s ILE 3 CO -0.19 0.57 0.31 -0.54 -1.23 0.00 0.00 174.94 173.86 1yx0 s LYS 4 N -0.31 1.68 -0.13 2.79 1.02 -0.44 -4.98 119.74 119.37 1yx0 s LYS 4 Ca 0.02 -1.83 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 1yx0 s LYS 4 Cb -0.13 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.52 1yx0 s LYS 4 CO 0.02 -0.64 -0.11 0.42 -0.92 0.00 0.00 175.35 174.13 1yx0 s ILE 5 N -3.51 3.25 -0.01 2.17 1.01 -1.26 -0.48 121.20 122.37 1yx0 s ILE 5 Ca 0.37 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1yx0 s ILE 5 Cb 0.02 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1yx0 s ILE 5 CO 0.22 0.52 -0.11 -0.62 0.00 0.00 0.00 174.94 174.95 1yx0 s ASP 6 N 0.26 1.24 -0.30 3.58 3.68 -0.50 -4.83 116.67 119.79 1yx0 s ASP 6 Ca -0.08 -0.20 0.02 0.00 2.13 0.00 0.00 52.55 54.42 1yx0 s ASP 6 Cb -0.15 -0.14 0.09 0.00 -1.45 0.00 0.00 42.92 41.27 1yx0 s ASP 6 CO 0.05 0.12 0.03 -0.62 0.13 0.00 0.00 175.17 174.88 1yx0 s ASP 7 N -0.27 4.34 0.62 -0.34 2.15 -1.26 -4.00 116.67 117.91 1yx0 s ASP 7 Ca 0.04 -1.74 0.00 0.00 0.43 0.00 0.00 52.55 51.28 1yx0 s ASP 7 Cb -0.04 -1.32 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 1yx0 s ASP 7 CO -0.00 -0.34 0.00 0.18 -0.17 0.00 0.00 175.17 174.83 1yx0 n LEU 8 N 4.52 0.00 -1.36 -1.34 4.32 -1.26 -5.03 117.00 116.85 1yx0 n LEU 8 Ca -0.03 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1yx0 n LEU 8 Cb 0.42 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 1yx0 n LEU 8 CO 0.18 -1.48 -0.40 1.07 -1.22 0.00 0.00 177.39 175.54 1yx0 n THR 9 N -2.14 -3.64 0.00 -5.08 5.66 -1.26 -4.94 114.28 102.87 1yx0 n THR 9 Ca 0.00 1.68 0.00 0.00 -3.05 0.00 0.00 64.05 62.68 1yx0 n THR 9 Cb 0.16 -2.48 0.00 0.00 -1.55 0.00 0.00 70.33 66.46 1yx0 n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1yx0 n GLY 10 N -1.65 1.24 0.32 1.09 0.00 -1.26 -4.36 105.19 100.56 1yx0 n GLY 10 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.74 -0.12 1.61 -0.00 -1.97 0.92 114.38 114.08 1yx0 h ARG 11 Ca 0.00 0.05 -0.08 0.00 -0.50 0.00 0.00 59.98 59.45 1yx0 h ARG 11 Cb 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.13 1yx0 h ARG 11 CO 0.00 -0.49 -0.29 1.96 0.00 0.00 0.00 179.97 181.15 1yx0 h GLN 12 N -0.77 0.22 -0.02 0.04 4.20 -1.96 0.87 115.11 117.70 1yx0 h GLN 12 Ca -0.08 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 1yx0 h GLN 12 Cb 0.59 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1yx0 h GLN 12 CO 0.12 0.50 -0.00 0.28 -0.67 0.00 0.00 178.83 179.06 1yx0 h VAL 13 N 0.20 1.30 -0.03 -0.54 2.07 -1.75 -0.78 116.25 116.72 1yx0 h VAL 13 Ca 0.03 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1yx0 h VAL 13 Cb 0.62 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1yx0 h VAL 13 CO 0.05 0.24 -0.04 0.58 0.02 0.00 0.00 177.57 178.41 1yx0 h VAL 14 N -0.33 1.39 -0.90 2.57 2.07 0.11 -2.73 116.25 118.42 1yx0 h VAL 14 Ca 0.00 -1.21 0.23 0.00 0.82 0.00 0.00 66.70 66.55 1yx0 h VAL 14 Cb 0.39 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1yx0 h VAL 14 CO 0.00 0.32 0.62 0.28 0.02 0.00 0.00 177.57 178.81 1yx0 h SER 15 N -0.38 0.25 -0.36 0.57 0.02 0.74 0.51 113.55 114.90 1yx0 h SER 15 Ca 0.01 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1yx0 h SER 15 Cb 0.54 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1yx0 h SER 15 CO 0.01 0.09 -0.13 0.25 -1.14 0.00 0.00 176.83 175.91 1yx0 h LEU 16 N 0.24 0.74 -0.33 5.07 7.12 -0.94 0.49 115.31 127.70 1yx0 h LEU 16 Ca 0.46 -0.39 -0.07 0.00 0.13 0.00 0.00 57.88 58.02 1yx0 h LEU 16 Cb 1.40 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1yx0 h LEU 16 CO -0.12 0.96 -0.06 0.58 -0.13 0.00 0.00 178.44 179.67 1yx0 h VAL 17 N 0.51 1.27 0.00 1.05 2.07 0.08 -3.33 116.25 117.91 1yx0 h VAL 17 Ca 0.09 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1yx0 h VAL 17 Cb 0.66 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1yx0 h VAL 17 CO 0.04 0.35 0.00 0.59 0.02 0.00 0.00 177.57 178.58 1yx0 n ASN 18 N -4.46 0.00 0.00 0.57 3.02 0.12 -4.93 115.26 109.58 1yx0 n ASN 18 Ca -0.02 0.83 0.00 0.00 -0.03 0.00 0.00 54.58 55.36 1yx0 n ASN 18 Cb 0.31 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1yx0 n ASN 18 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1yx0 n GLU 19 N -1.92 0.00 -0.12 3.52 0.28 0.16 -5.03 120.64 117.53 1yx0 n GLU 19 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1yx0 n GLU 19 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 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 0.33 -0.01 -1.84 -0.00 -0.72 -4.45 115.22 108.53 1yx0 n HIS 20 Ca 0.00 0.14 -0.10 0.00 0.46 0.00 0.00 57.72 58.22 1yx0 n HIS 20 Cb 0.00 -0.98 0.04 0.00 -0.12 0.00 0.00 29.99 28.93 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 0.68 -9.40 0.27 -0.00 -1.88 -3.43 115.31 100.55 1yx0 h LEU 21 Ca -0.53 -0.36 -0.58 0.00 -0.00 0.00 0.00 57.88 56.42 1yx0 h LEU 21 Cb 1.44 -0.19 -0.07 0.00 -0.00 0.00 0.00 40.66 41.84 1yx0 h LEU 21 CO -0.32 1.08 -0.10 -2.28 -0.00 0.00 0.00 178.44 176.82 1yx0 s HIS 22 N -4.04 3.57 0.30 1.13 2.46 -1.26 -5.07 115.29 112.37 1yx0 s HIS 22 Ca -0.08 0.99 -0.00 0.00 0.47 0.00 0.00 55.06 56.44 1yx0 s HIS 22 Cb 0.11 -2.56 0.06 0.00 -0.13 0.00 0.00 32.58 30.06 1yx0 s HIS 22 CO 0.85 0.24 0.41 0.45 -2.47 0.00 0.00 174.74 174.22 1yx0 n SER 23 N 3.32 0.56 -2.61 9.88 2.88 -1.26 -4.71 113.62 121.67 1yx0 n SER 23 Ca -0.07 -1.47 -0.05 0.00 -1.33 0.00 0.00 58.87 55.95 1yx0 n SER 23 Cb 0.52 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 63.66 1yx0 n SER 23 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1yx0 n MET 24 N -1.76 -4.58 -3.33 -1.46 2.81 -1.26 -4.98 117.12 102.57 1yx0 n MET 24 Ca 0.07 3.45 -0.36 0.00 -1.81 0.00 0.00 57.70 59.05 1yx0 n MET 24 Cb 0.24 -5.13 -0.06 0.00 -0.71 0.00 0.00 33.22 27.56 1yx0 n MET 24 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1yx0 s THR 25 N -0.75 4.82 0.34 2.03 -1.32 -1.26 -5.01 115.64 114.50 1yx0 s THR 25 Ca -0.27 0.93 -0.25 0.00 -1.21 0.00 0.00 61.69 60.90 1yx0 s THR 25 Cb 0.02 -3.77 -0.14 0.00 -1.51 0.00 0.00 72.50 67.09 1yx0 s THR 25 CO 0.80 0.32 0.55 0.00 -2.21 0.00 0.00 174.62 174.08 1yx0 n LEU 26 N 1.02 -0.43 -4.67 9.08 -0.00 -1.26 -4.80 117.00 115.94 1yx0 n LEU 26 Ca -0.06 0.99 -0.42 0.00 -0.00 0.00 0.00 56.01 56.52 1yx0 n LEU 26 Cb 0.52 -1.07 -0.00 0.00 -0.00 0.00 0.00 43.42 42.86 1yx0 n LEU 26 CO 0.42 -2.85 0.82 0.80 -0.00 0.00 0.00 177.39 176.57 1yx0 n MET 27 N 0.82 1.90 -2.20 1.47 0.00 -1.26 -4.91 117.12 112.93 1yx0 n MET 27 Ca 0.13 0.67 -0.41 0.00 -0.00 0.00 0.00 57.70 58.08 1yx0 n MET 27 Cb 0.35 -2.24 -0.03 0.00 0.00 0.00 0.00 33.22 31.30 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 -0.43 6.89 0.85 6.12 0.01 -1.26 -5.01 113.70 120.85 1yx0 s SER 28 Ca 0.58 2.48 -0.12 0.00 1.31 0.00 0.00 55.95 60.20 1yx0 s SER 28 Cb -0.57 -2.62 0.10 0.00 0.21 0.00 0.00 66.02 63.13 1yx0 s SER 28 CO 0.61 -0.50 1.11 -2.16 0.41 0.00 0.00 173.24 172.71 1yx0 s PRO 29 N -0.73 1.68 0.55 12.44 0.04 -1.26 -5.07 135.00 142.65 1yx0 s PRO 29 Ca 0.53 0.49 -0.09 0.00 0.04 0.00 0.00 61.00 61.97 1yx0 s PRO 29 Cb -0.37 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.42 1yx0 s PRO 29 CO 0.43 -1.87 0.61 -0.35 0.04 0.00 0.00 177.00 175.86 1yx0 n PRO 30 N -3.57 -1.35 -0.40 0.56 -0.04 -1.26 -4.92 135.00 124.01 1yx0 n PRO 30 Ca 0.07 -0.95 -0.09 0.00 -0.04 0.00 0.00 63.50 62.48 1yx0 n PRO 30 Cb 0.58 -0.75 -0.08 0.00 -0.04 0.00 0.00 33.50 33.21 1yx0 n PRO 30 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yx0 n GLU 31 N -2.78 -0.40 0.00 0.54 2.13 -1.26 -4.57 120.64 114.30 1yx0 n GLU 31 Ca 0.08 1.46 0.00 0.00 0.66 0.00 0.00 57.16 59.36 1yx0 n GLU 31 Cb 0.29 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1yx0 n GLU 31 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1yx0 n SER 32 N -5.24 0.00 -2.61 4.31 7.64 -1.26 -5.05 113.62 111.41 1yx0 n SER 32 Ca 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 1yx0 n SER 32 Cb 0.27 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.59 1yx0 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 n ILE 33 N 0.00 0.05 0.01 0.44 0.13 -1.26 -5.00 119.36 113.73 1yx0 n ILE 33 Ca 0.00 -1.04 0.00 0.00 -1.10 0.00 0.00 62.75 60.61 1yx0 n ILE 33 Cb 0.00 0.99 0.00 0.00 -0.84 0.00 0.00 39.64 39.79 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 -1.46 -0.60 -3.17 9.51 -0.00 -1.26 -5.01 115.22 113.22 1yx0 n HIS 34 Ca -0.17 0.04 -0.12 0.00 0.46 0.00 0.00 57.72 57.93 1yx0 n HIS 34 Cb 0.87 0.55 0.01 0.00 -0.12 0.00 0.00 29.99 31.30 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1yx0 n ALA 35 N -2.56 -2.42 -0.31 1.57 0.00 -1.26 -4.74 120.51 110.79 1yx0 n ALA 35 Ca 0.00 0.28 0.16 0.00 0.00 0.00 0.00 53.44 53.88 1yx0 n ALA 35 Cb 0.00 -1.37 0.33 0.00 0.00 0.00 0.00 19.45 18.41 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 2.95 -0.05 0.00 0.00 5.85 -2.05 -3.45 115.31 118.56 1yx0 h LEU 36 Ca -0.16 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1yx0 h LEU 36 Cb 0.95 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1yx0 h LEU 36 CO 0.10 -0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.58 1yx0 n GLY 37 N -1.39 0.74 0.00 3.75 0.00 -1.26 -5.10 105.19 101.93 1yx0 n GLY 37 Ca 0.24 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.18 0.99 4.32 -1.26 -4.78 117.00 112.08 1yx0 n LEU 38 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1yx0 n LEU 38 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 1yx0 n LEU 38 CO 0.00 0.00 -0.36 1.21 -1.22 0.00 0.00 177.39 177.02 1yx0 n GLU 39 N 0.00 -1.20 0.00 3.23 2.13 -1.26 -4.75 120.64 118.80 1yx0 n GLU 39 Ca 0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1yx0 n GLU 39 Cb 0.00 -3.53 0.00 0.00 0.27 0.00 0.00 31.44 28.18 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yx0 n LYS 40 N -4.65 0.00 -1.19 5.31 4.81 -1.26 -4.91 118.16 116.27 1yx0 n LYS 40 Ca -0.27 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 56.96 1yx0 n LYS 40 Cb 0.66 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.60 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yx0 n LEU 41 N -2.31 6.14 0.00 3.14 4.32 -1.26 -4.04 117.00 122.98 1yx0 n LEU 41 Ca 0.00 -3.62 0.00 0.00 -0.02 0.00 0.00 56.01 52.37 1yx0 n LEU 41 Cb 0.00 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.40 1yx0 n LEU 41 CO 0.00 1.78 0.00 -1.14 -1.22 0.00 0.00 177.39 176.81 1yx0 n ARG 42 N 2.29 0.00 -3.82 3.23 0.63 -1.26 -5.05 116.66 112.67 1yx0 n ARG 42 Ca 0.50 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.36 1yx0 n ARG 42 Cb 0.71 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.64 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 0.00 0.28 -0.49 5.14 0.00 -1.26 -4.88 107.32 106.12 1yx0 s GLY 43 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 44.72 44.03 1yx0 s GLY 43 CO 0.00 0.07 2.71 -1.55 0.00 0.00 0.00 173.10 174.33 1yx0 n PRO 44 N -0.54 2.02 0.00 2.90 -0.04 -1.26 -2.69 135.00 135.39 1yx0 n PRO 44 Ca -0.07 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.23 1yx0 n PRO 44 Cb 0.60 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1yx0 n PRO 44 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yx0 n GLU 45 N 3.14 0.00 -3.27 0.54 4.07 -1.26 -5.11 120.64 118.75 1yx0 n GLU 45 Ca 0.43 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 57.15 1yx0 n GLU 45 Cb 0.49 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.81 1yx0 n GLU 45 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1yx0 s ILE 46 N -1.14 4.95 -0.04 6.31 -1.09 -1.09 -4.85 121.20 124.25 1yx0 s ILE 46 Ca 0.00 1.14 0.03 0.00 -2.23 0.00 0.00 60.65 59.59 1yx0 s ILE 46 Cb 0.00 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1yx0 s ILE 46 CO 0.00 0.44 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.14 1yx0 s THR 47 N -0.31 1.08 -0.24 2.92 2.01 -1.26 -4.48 115.64 115.37 1yx0 s THR 47 Ca 0.29 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 1yx0 s THR 47 Cb -0.18 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.36 1yx0 s THR 47 CO 0.16 0.33 0.02 0.12 -0.69 0.00 0.00 174.62 174.56 1yx0 s PHE 48 N 0.22 3.03 -0.07 4.92 5.36 -1.26 -2.02 117.98 128.17 1yx0 s PHE 48 Ca -0.05 -0.63 -0.18 0.00 -0.96 0.00 0.00 56.93 55.11 1yx0 s PHE 48 Cb -0.11 -2.18 -0.05 0.00 -0.34 0.00 0.00 43.02 40.35 1yx0 s PHE 48 CO 0.02 -0.43 0.49 -1.58 -1.46 0.00 0.00 175.22 172.26 1yx0 s TRP 49 N 1.53 3.59 -0.09 10.12 0.51 0.37 -1.41 118.94 133.56 1yx0 s TRP 49 Ca 0.06 0.98 0.03 0.00 -2.12 0.00 0.00 56.10 55.05 1yx0 s TRP 49 Cb -0.15 -2.52 0.00 0.00 -0.81 0.00 0.00 33.47 29.99 1yx0 s TRP 49 CO 0.01 0.29 -0.21 -1.12 -0.51 0.00 0.00 176.95 175.40 1yx0 s SER 50 N 0.17 2.75 -0.15 2.95 0.01 0.37 -0.23 113.70 119.56 1yx0 s SER 50 Ca 0.27 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 1yx0 s SER 50 Cb -0.16 -1.26 -0.05 0.00 0.21 0.00 0.00 66.02 64.77 1yx0 s SER 50 CO 0.12 0.12 0.16 0.00 0.41 0.00 0.00 173.24 174.06 1yx0 s ALA 51 N 0.44 3.76 -0.07 1.44 0.00 0.37 -1.33 121.76 126.37 1yx0 s ALA 51 Ca -0.18 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1yx0 s ALA 51 Cb -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1yx0 s ALA 51 CO 0.07 0.36 -0.20 -1.58 0.00 0.00 0.00 175.76 174.41 1yx0 s TRP 52 N -0.26 2.08 -0.42 0.00 0.52 -0.46 0.18 118.94 120.58 1yx0 s TRP 52 Ca 0.12 -0.75 0.05 0.00 0.02 0.00 0.00 56.10 55.55 1yx0 s TRP 52 Cb -0.12 -1.41 0.20 0.00 -1.15 0.00 0.00 33.47 30.99 1yx0 s TRP 52 CO 0.02 -0.30 0.45 -1.91 0.02 0.00 0.00 176.95 175.23 1yx0 n GLU 53 N 3.43 0.38 0.00 4.98 2.13 -1.16 -3.60 120.64 126.80 1yx0 n GLU 53 Ca -0.20 -3.01 0.00 0.00 0.66 0.00 0.00 57.16 54.61 1yx0 n GLU 53 Cb 0.52 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx0 n GLY 54 N 2.41 0.82 1.34 8.31 0.00 -1.26 -4.24 105.19 112.58 1yx0 n GLY 54 Ca 0.25 -1.48 0.08 0.00 0.00 0.00 0.00 46.02 44.87 1yx0 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yx0 n ASP 55 N 0.00 4.56 -3.92 1.61 9.92 -1.26 -4.92 116.55 122.54 1yx0 n ASP 55 Ca 0.00 -2.73 -0.15 0.00 -0.53 0.00 0.00 54.79 51.38 1yx0 n ASP 55 Cb 0.00 -0.56 -0.14 0.00 -0.64 0.00 0.00 41.12 39.77 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1yx0 s GLU 56 N -2.35 0.29 -0.02 -1.24 2.02 -1.26 -5.10 118.70 111.03 1yx0 s GLU 56 Ca 0.46 -0.12 -0.35 0.00 0.02 0.00 0.00 54.97 54.98 1yx0 s GLU 56 Cb 0.34 -0.29 -0.13 0.00 0.10 0.00 0.00 34.13 34.15 1yx0 s GLU 56 CO 0.16 0.07 1.72 1.28 0.02 0.00 0.00 175.26 178.51 1yx0 n LEU 57 N 3.05 3.05 0.12 1.80 7.99 -1.26 -2.97 117.00 128.77 1yx0 n LEU 57 Ca -0.13 1.03 0.13 0.00 -0.01 0.00 0.00 56.01 57.03 1yx0 n LEU 57 Cb 0.58 -1.34 0.42 0.00 -0.11 0.00 0.00 43.42 42.97 1yx0 n LEU 57 CO 0.25 -0.26 0.88 0.00 -1.51 0.00 0.00 177.39 176.75 1yx0 h ALA 58 N 7.56 1.00 0.00 -1.18 0.00 0.17 -3.45 119.26 123.35 1yx0 h ALA 58 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yx0 h ALA 58 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yx0 h ALA 58 CO 0.92 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1yx0 n GLY 59 N 0.94 2.63 3.25 0.00 0.00 -0.59 -4.15 105.19 107.27 1yx0 n GLY 59 Ca 0.04 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.38 -0.04 0.21 0.00 0.00 0.68 -4.19 107.32 101.60 1yx0 s GLY 61 Ca -0.01 2.46 0.07 0.00 0.00 0.00 0.00 44.72 47.23 1yx0 s GLY 61 CO -0.07 0.96 0.13 0.00 0.00 0.00 0.00 173.10 174.12 1yx0 s ALA 62 N -1.36 3.48 -0.25 3.20 0.00 0.58 0.14 121.76 127.56 1yx0 s ALA 62 Ca 0.08 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 1yx0 s ALA 62 Cb -0.01 -1.22 0.13 0.00 0.00 0.00 0.00 23.12 22.02 1yx0 s ALA 62 CO -0.06 0.37 0.47 -1.17 0.00 0.00 0.00 175.76 175.38 1yx0 s LEU 63 N -3.46 -0.86 -0.08 0.00 0.20 -0.85 -1.79 118.68 111.85 1yx0 s LEU 63 Ca 0.31 0.81 0.03 0.00 0.69 0.00 0.00 54.13 55.97 1yx0 s LEU 63 Cb -0.09 1.57 0.01 0.00 -0.43 0.00 0.00 46.19 47.26 1yx0 s LEU 63 CO 0.23 -0.26 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.13 1yx0 s LYS 64 N 2.68 2.05 0.84 1.98 2.20 -1.23 -4.13 119.74 124.13 1yx0 s LYS 64 Ca 0.07 -0.53 -0.15 0.00 -0.36 0.00 0.00 55.97 54.99 1yx0 s LYS 64 Cb -0.14 -1.66 -0.05 0.00 -1.51 0.00 0.00 37.83 34.47 1yx0 s LYS 64 CO -0.16 0.04 0.13 -0.85 -0.36 0.00 0.00 175.35 174.15 1yx0 n GLU 65 N 3.81 0.02 0.04 4.03 0.28 -1.26 -3.79 120.64 123.77 1yx0 n GLU 65 Ca -0.21 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1yx0 n GLU 65 Cb 0.52 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.82 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yx0 n LEU 66 N 0.50 0.19 0.00 -1.84 4.77 -0.81 -4.86 117.00 114.96 1yx0 n LEU 66 Ca 0.06 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1yx0 n LEU 66 Cb 0.52 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1yx0 n LEU 66 CO 0.51 -0.62 0.00 0.47 -1.33 0.00 0.00 177.39 176.43 1yx0 n ASP 67 N -2.91 1.67 -0.25 -1.43 9.92 0.35 -4.97 116.55 118.93 1yx0 n ASP 67 Ca 0.00 -0.86 -0.06 0.00 -0.53 0.00 0.00 54.79 53.34 1yx0 n ASP 67 Cb 0.00 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.53 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 0.86 1.21 -0.34 -3.53 1.03 -2.00 -3.26 112.91 106.88 1yx0 h THR 68 Ca 0.00 -0.51 -0.26 0.00 -0.01 0.00 0.00 66.41 65.63 1yx0 h THR 68 Cb 0.00 0.27 -0.37 0.00 -1.07 0.00 0.00 68.15 66.99 1yx0 h THR 68 CO 0.00 0.23 -1.00 0.54 -0.01 0.00 0.00 175.52 175.28 1yx0 n ARG 69 N -4.51 1.59 -4.02 0.00 1.74 -1.26 -4.78 116.66 105.42 1yx0 n ARG 69 Ca 0.06 -3.22 -0.16 0.00 -0.77 0.00 0.00 57.85 53.76 1yx0 n ARG 69 Cb 0.08 -1.31 -0.15 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.75 0.35 0.31 -1.55 2.46 -1.23 -2.12 115.29 110.75 1yx0 s HIS 70 Ca 0.34 -0.05 0.04 0.00 0.47 0.00 0.00 55.06 55.86 1yx0 s HIS 70 Cb 0.36 -0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.45 1yx0 s HIS 70 CO -0.06 -0.07 0.17 0.20 -2.47 0.00 0.00 174.74 172.51 1yx0 s GLY 71 N 0.42 2.10 0.09 1.59 0.00 -1.19 -0.50 107.32 109.84 1yx0 s GLY 71 Ca -0.04 -1.76 -0.11 0.00 0.00 0.00 0.00 44.72 42.81 1yx0 s GLY 71 CO -0.01 -1.58 0.25 1.85 0.00 0.00 0.00 173.10 173.61 1yx0 s GLU 72 N -3.78 0.89 -0.09 2.90 2.12 -1.25 0.42 118.70 119.92 1yx0 s GLU 72 Ca 0.36 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.82 1yx0 s GLU 72 Cb 0.05 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 1yx0 s GLU 72 CO 0.18 -0.30 -0.06 0.42 -0.54 0.00 0.00 175.26 174.97 1yx0 s ILE 73 N -3.74 3.77 0.04 -3.70 1.09 -1.22 -3.47 121.20 113.98 1yx0 s ILE 73 Ca 0.04 -0.44 0.09 0.00 -1.10 0.00 0.00 60.65 59.23 1yx0 s ILE 73 Cb 0.04 -2.57 -0.03 0.00 -1.06 0.00 0.00 42.46 38.84 1yx0 s ILE 73 CO -0.11 0.58 -0.24 -0.54 -0.10 0.00 0.00 174.94 174.52 1yx0 s LYS 74 N -0.54 1.65 -0.03 2.79 -0.14 -0.74 -4.72 119.74 118.02 1yx0 s LYS 74 Ca 0.08 -1.05 -0.00 0.00 -1.36 0.00 0.00 55.97 53.64 1yx0 s LYS 74 Cb -0.12 -1.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 1yx0 s LYS 74 CO 0.02 0.47 0.01 0.43 -0.76 0.00 0.00 175.35 175.51 1yx0 n SER 75 N 1.80 -6.77 -3.71 2.83 7.64 -1.26 -0.31 113.62 113.85 1yx0 n SER 75 Ca -0.17 0.64 -0.30 0.00 1.01 0.00 0.00 58.87 60.06 1yx0 n SER 75 Cb 0.52 -1.95 -0.15 0.00 -1.01 0.00 0.00 64.21 61.63 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 -0.79 0.76 -0.01 1.43 1.75 -1.26 -3.24 119.30 117.95 1yx0 s MET 76 Ca -0.01 -1.20 0.01 0.00 -1.25 0.00 0.00 55.69 53.24 1yx0 s MET 76 Cb 0.00 -1.97 0.00 0.00 2.84 0.00 0.00 34.83 35.70 1yx0 s MET 76 CO 0.08 -1.02 -0.04 1.03 -0.65 0.00 0.00 175.02 174.42 1yx0 s ARG 77 N 1.43 0.36 0.51 4.11 0.52 -1.26 -5.04 118.95 119.57 1yx0 s ARG 77 Ca 0.11 -0.13 -0.08 0.00 -0.52 0.00 0.00 55.73 55.11 1yx0 s ARG 77 Cb -0.19 -0.37 0.12 0.00 0.52 0.00 0.00 34.95 35.04 1yx0 s ARG 77 CO -0.21 0.06 0.69 -2.37 0.02 0.00 0.00 175.30 173.50 1yx0 n THR 78 N 3.14 0.00 -4.38 0.02 5.66 -1.26 -4.39 114.28 113.07 1yx0 n THR 78 Ca -0.15 -0.52 -0.27 0.00 -3.05 0.00 0.00 64.05 60.06 1yx0 n THR 78 Cb 0.57 -1.72 -0.11 0.00 -1.55 0.00 0.00 70.33 67.52 1yx0 n THR 78 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1yx0 s SER 79 N -3.54 3.64 -1.18 1.09 0.15 -1.26 -4.37 113.70 108.24 1yx0 s SER 79 Ca 0.39 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 56.24 1yx0 s SER 79 Cb -0.01 -0.38 0.22 0.00 -1.71 0.00 0.00 66.02 64.14 1yx0 s SER 79 CO 0.28 0.13 2.09 0.00 1.20 0.00 0.00 173.24 176.94 1yx0 n ALA 80 N 0.33 6.41 -0.87 5.45 0.00 -1.26 -4.61 120.51 125.95 1yx0 n ALA 80 Ca -0.13 -4.35 -0.07 0.00 0.00 0.00 0.00 53.44 48.89 1yx0 n ALA 80 Cb 0.55 -2.49 0.27 0.00 0.00 0.00 0.00 19.45 17.79 1yx0 n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yx0 n SER 81 N 0.90 4.54 -2.72 0.00 3.41 -1.26 -4.87 113.62 113.61 1yx0 n SER 81 Ca 0.54 -3.14 -0.13 0.00 -0.26 0.00 0.00 58.87 55.88 1yx0 n SER 81 Cb 0.26 -0.74 0.06 0.00 -0.26 0.00 0.00 64.21 63.53 1yx0 n SER 81 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1yx0 n HIS 82 N -0.18 -1.68 -4.38 7.33 8.25 -1.26 -5.03 115.22 118.27 1yx0 n HIS 82 Ca 0.39 0.68 -0.24 0.00 -0.26 0.00 0.00 57.72 58.29 1yx0 n HIS 82 Cb 1.33 -4.12 -0.09 0.00 1.12 0.00 0.00 29.99 28.23 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1yx0 s LEU 83 N -5.20 2.86 -0.27 2.41 1.43 -1.26 -5.12 118.68 113.54 1yx0 s LEU 83 Ca 0.10 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 1yx0 s LEU 83 Cb -0.04 -1.41 0.08 0.00 0.03 0.00 0.00 46.19 44.85 1yx0 s LEU 83 CO 0.52 0.04 0.01 -0.13 0.23 0.00 0.00 176.35 177.01 1yx0 s ARG 84 N -3.46 1.34 -0.07 1.70 3.00 -1.26 -4.93 118.95 115.28 1yx0 s ARG 84 Ca 0.30 -1.16 -0.00 0.00 0.00 0.00 0.00 55.73 54.87 1yx0 s ARG 84 Cb -0.06 -2.55 0.00 0.00 0.00 0.00 0.00 34.95 32.34 1yx0 s ARG 84 CO 0.17 -0.76 0.00 1.63 0.00 0.00 0.00 175.30 176.34 1yx0 n LYS 85 N 4.65 -0.96 0.13 3.54 4.01 -1.26 -4.91 118.16 123.36 1yx0 n LYS 85 Ca -0.06 1.21 0.00 0.00 -0.51 0.00 0.00 58.31 58.94 1yx0 n LYS 85 Cb 0.43 -1.93 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yx0 n GLY 86 N 1.17 -1.75 0.41 0.72 0.00 -1.26 -4.87 105.19 99.61 1yx0 n GLY 86 Ca -0.00 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.19 1.61 2.07 -1.91 1.56 116.25 119.39 1yx0 h VAL 87 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 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 0.13 0.00 0.02 0.00 0.00 177.57 177.72 1yx0 h ALA 88 N -0.28 1.94 -0.48 1.67 0.00 -1.92 -0.60 119.26 119.59 1yx0 h ALA 88 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1yx0 h ALA 88 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1yx0 h ALA 88 CO -0.48 0.04 0.01 -0.22 0.00 0.00 0.00 179.25 178.61 1yx0 h LYS 89 N 0.19 0.84 -0.22 0.00 3.64 -0.47 0.13 116.57 120.68 1yx0 h LYS 89 Ca 0.07 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1yx0 h LYS 89 Cb 0.06 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1yx0 h LYS 89 CO -0.01 0.87 0.04 1.96 -2.27 0.00 0.00 179.45 180.04 1yx0 h GLN 90 N 0.70 0.12 0.42 1.90 1.08 0.35 0.23 115.11 119.90 1yx0 h GLN 90 Ca 0.14 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.31 1yx0 h GLN 90 Cb 0.49 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1yx0 h GLN 90 CO 0.02 0.08 -0.20 0.28 -0.95 0.00 0.00 178.83 178.06 1yx0 h VAL 91 N 0.12 0.57 -1.06 -0.54 2.07 -1.28 -2.51 116.25 113.62 1yx0 h VAL 91 Ca 0.10 -0.33 0.28 0.00 0.82 0.00 0.00 66.70 67.57 1yx0 h VAL 91 Cb 0.10 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 30.49 1yx0 h VAL 91 CO -0.14 0.06 0.67 0.25 0.02 0.00 0.00 177.57 178.43 1yx0 h LEU 92 N -0.76 0.47 -0.80 2.57 7.12 -0.53 0.83 115.31 124.22 1yx0 h LEU 92 Ca -0.06 0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1yx0 h LEU 92 Cb 0.53 0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 1yx0 h LEU 92 CO 0.09 0.05 0.51 -0.61 -0.13 0.00 0.00 178.44 178.35 1yx0 h GLN 93 N 0.40 1.07 0.00 1.25 -0.00 -0.13 -1.11 115.11 116.58 1yx0 h GLN 93 Ca 0.63 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.65 59.10 1yx0 h GLN 93 Cb 1.56 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 28.80 1yx0 h GLN 93 CO -0.35 0.73 -0.47 1.25 0.00 0.00 0.00 178.83 179.99 1yx0 h HIS 94 N 1.09 0.00 -0.24 3.99 2.76 0.91 -2.23 115.15 121.43 1yx0 h HIS 94 Ca 0.29 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1yx0 h HIS 94 Cb -0.08 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1yx0 h HIS 94 CO -0.01 0.47 0.11 0.82 -1.30 0.00 0.00 177.93 178.02 1yx0 h ILE 95 N 0.00 1.14 -0.44 6.26 1.08 0.48 1.44 117.51 127.48 1yx0 h ILE 95 Ca -0.00 -0.41 -0.12 0.00 -0.39 0.00 0.00 64.86 63.93 1yx0 h ILE 95 Cb 1.03 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 1yx0 h ILE 95 CO 0.06 0.14 -0.21 0.40 -0.69 0.00 0.00 178.15 177.85 1yx0 h ILE 96 N 0.25 1.27 -0.21 -0.67 2.04 -1.25 -1.66 117.51 117.28 1yx0 h ILE 96 Ca 0.08 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.54 1yx0 h ILE 96 Cb 0.12 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1yx0 h ILE 96 CO -0.01 0.46 -0.07 -0.08 0.00 0.00 0.00 178.15 178.45 1yx0 h GLU 97 N 0.77 0.41 -0.37 2.37 4.22 -1.02 0.27 114.58 121.23 1yx0 h GLU 97 Ca 0.10 -0.17 0.05 0.00 0.08 0.00 0.00 59.36 59.42 1yx0 h GLU 97 Cb 0.76 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1yx0 h GLU 97 CO 0.06 0.68 0.12 0.93 -2.18 0.00 0.00 179.01 178.62 1yx0 h GLU 98 N 0.12 0.25 -0.11 1.92 4.39 0.21 1.39 114.58 122.76 1yx0 h GLU 98 Ca 0.05 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1yx0 h GLU 98 Cb 0.54 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1yx0 h GLU 98 CO 0.02 0.17 -0.46 0.00 -1.16 0.00 0.00 179.01 177.58 1yx0 h ALA 99 N 1.25 1.02 -0.29 3.43 0.00 -1.25 -1.81 119.26 121.62 1yx0 h ALA 99 Ca 0.17 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1yx0 h ALA 99 Cb 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yx0 h ALA 99 CO -0.19 0.63 -0.50 0.93 0.00 0.00 0.00 179.25 180.12 1yx0 h GLU 100 N 0.22 0.80 0.00 0.00 4.39 0.90 0.56 114.58 121.44 1yx0 h GLU 100 Ca 0.01 -0.47 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1yx0 h GLU 100 Cb 0.90 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1yx0 h GLU 100 CO 0.07 1.11 0.00 1.57 -1.16 0.00 0.00 179.01 180.60 1yx0 h LYS 101 N 0.62 0.00 0.10 2.33 5.09 0.20 -3.06 116.57 121.86 1yx0 h LYS 101 Ca 0.03 0.00 -0.32 0.00 0.09 0.00 0.00 60.65 60.45 1yx0 h LYS 101 Cb 1.08 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.39 1yx0 h LYS 101 CO 0.11 0.00 -1.71 0.00 -2.09 0.00 0.00 179.45 175.76 1yx0 h ARG 102 N 0.00 0.20 0.00 0.07 3.08 -0.87 -3.49 114.38 113.37 1yx0 h ARG 102 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1yx0 h ARG 102 Cb 0.50 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1yx0 h ARG 102 CO 0.00 1.17 0.00 0.41 -1.07 0.00 0.00 179.97 180.48 1yx0 n GLY 103 N 1.81 0.87 3.98 0.04 0.00 0.09 -5.09 105.19 106.89 1yx0 n GLY 103 Ca -0.31 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.36 2.92 -0.00 1.61 1.51 -0.64 -4.77 117.35 116.62 1yx0 s TYR 104 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 55.98 1yx0 s TYR 104 Cb 0.00 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.31 1yx0 s TYR 104 CO 0.00 -0.63 0.62 -1.91 -1.11 0.00 0.00 175.55 172.52 1yx0 n GLU 105 N -2.14 0.51 -3.46 -0.62 2.13 -0.99 -4.86 120.64 111.20 1yx0 n GLU 105 Ca 0.06 -0.72 -0.10 0.00 0.66 0.00 0.00 57.16 57.06 1yx0 n GLU 105 Cb 0.59 -0.59 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1yx0 n GLU 105 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1yx0 s ARG 106 N -0.20 1.09 -0.18 5.31 3.52 -0.90 -3.55 118.95 124.03 1yx0 s ARG 106 Ca 0.00 -0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.07 1yx0 s ARG 106 Cb 0.00 0.50 0.05 0.00 -1.56 0.00 0.00 34.95 33.94 1yx0 s ARG 106 CO 0.00 -0.48 0.45 -0.51 -0.81 0.00 0.00 175.30 173.96 1yx0 s LEU 107 N -2.64 0.04 0.38 -0.88 1.02 -1.03 -3.17 118.68 112.40 1yx0 s LEU 107 Ca 0.03 0.95 0.08 0.00 0.02 0.00 0.00 54.13 55.21 1yx0 s LEU 107 Cb -0.01 1.54 -0.05 0.00 0.02 0.00 0.00 46.19 47.68 1yx0 s LEU 107 CO -0.11 -0.18 0.12 -0.94 0.02 0.00 0.00 176.35 175.26 1yx0 s SER 108 N 0.79 4.36 0.03 2.29 1.04 0.17 -2.08 113.70 120.30 1yx0 s SER 108 Ca -0.04 -1.02 -0.29 0.00 0.48 0.00 0.00 55.95 55.08 1yx0 s SER 108 Cb -0.05 -0.53 0.10 0.00 0.10 0.00 0.00 66.02 65.63 1yx0 s SER 108 CO -0.06 -0.41 1.06 -1.48 0.98 0.00 0.00 173.24 173.33 1yx0 s LEU 109 N -3.83 -0.18 -0.17 2.42 0.05 -1.24 -3.39 118.68 112.34 1yx0 s LEU 109 Ca 0.38 -0.19 -0.07 0.00 0.05 0.00 0.00 54.13 54.30 1yx0 s LEU 109 Cb 0.02 1.82 -0.04 0.00 -2.05 0.00 0.00 46.19 45.94 1yx0 s LEU 109 CO 0.21 -0.59 0.07 -1.83 -0.55 0.00 0.00 176.35 173.66 1yx0 s GLU 110 N -2.90 3.87 0.28 1.48 -1.05 -1.26 -4.39 118.70 114.72 1yx0 s GLU 110 Ca 0.11 -0.32 -0.16 0.00 -0.15 0.00 0.00 54.97 54.45 1yx0 s GLU 110 Cb 0.00 -3.19 0.06 0.00 -0.44 0.00 0.00 34.13 30.56 1yx0 s GLU 110 CO -0.03 0.35 0.80 -2.37 0.95 0.00 0.00 175.26 174.96 1yx0 n THR 111 N 3.28 0.00 -0.53 1.83 5.66 -1.26 -4.98 114.28 118.28 1yx0 n THR 111 Ca -0.17 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.09 1yx0 n THR 111 Cb 0.53 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 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 -0.55 1.46 0.15 1.09 0.00 -1.26 -4.07 105.19 102.01 1yx0 n GLY 112 Ca -0.06 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 1.33 -4.72 1.61 3.41 -1.26 -4.66 113.62 109.34 1yx0 n SER 113 Ca 0.00 -1.17 -0.39 0.00 -0.26 0.00 0.00 58.87 57.05 1yx0 n SER 113 Cb 0.00 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1yx0 n SER 113 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1yx0 n MET 114 N 0.21 1.55 -0.06 4.33 0.00 -1.26 -4.58 117.12 117.30 1yx0 n MET 114 Ca 0.02 0.57 0.24 0.00 0.00 0.00 0.00 57.70 58.53 1yx0 n MET 114 Cb 0.10 -2.49 0.71 0.00 0.00 0.00 0.00 33.22 31.54 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 1.29 2.59 0.00 -5.12 0.00 -1.98 1.38 119.26 117.42 1yx0 h ALA 115 Ca -0.50 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 1yx0 h ALA 115 Cb 1.32 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1yx0 h ALA 115 CO 0.56 -0.84 -0.85 1.03 0.00 0.00 0.00 179.25 179.15 1yx0 h SER 116 N 0.00 0.06 -0.50 0.00 0.87 -2.00 -3.13 113.55 108.86 1yx0 h SER 116 Ca 0.32 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1yx0 h SER 116 Cb 1.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1yx0 h SER 116 CO -0.00 0.88 0.00 0.49 -0.53 0.00 0.00 176.83 177.67 1yx0 n PHE 117 N -3.58 1.14 -0.00 2.24 3.72 0.29 -4.33 117.46 116.94 1yx0 n PHE 117 Ca -0.01 -0.64 -0.11 0.00 -0.05 0.00 0.00 57.45 56.64 1yx0 n PHE 117 Cb 0.80 -0.21 -0.09 0.00 -0.94 0.00 0.00 39.48 39.05 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 3.15 -0.10 -0.03 -1.08 5.08 0.15 -2.89 114.58 118.85 1yx0 h GLU 118 Ca 0.00 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1yx0 h GLU 118 Cb 1.28 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.56 1yx0 h GLU 118 CO 0.17 0.46 -0.51 -1.00 -1.00 0.00 0.00 179.01 177.13 1yx0 h PRO 119 N -0.86 0.41 -0.90 2.33 0.13 -1.79 -2.05 132.00 129.27 1yx0 h PRO 119 Ca -0.01 -0.39 0.20 0.00 -0.87 0.00 0.00 66.00 64.93 1yx0 h PRO 119 Cb 0.60 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.77 1yx0 h PRO 119 CO 0.02 1.05 0.60 0.00 -0.23 0.00 0.00 178.00 179.43 1yx0 h ALA 120 N 0.37 2.21 0.08 -0.56 0.00 -1.76 1.48 119.26 121.08 1yx0 h ALA 120 Ca -0.05 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1yx0 h ALA 120 Cb 1.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1yx0 h ALA 120 CO 0.10 -0.49 -1.14 -0.09 0.00 0.00 0.00 179.25 177.63 1yx0 h ARG 121 N 0.40 0.18 0.00 0.00 2.43 -1.48 -2.40 114.38 113.52 1yx0 h ARG 121 Ca 0.47 -0.30 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1yx0 h ARG 121 Cb 1.17 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 1yx0 h ARG 121 CO -0.17 1.13 -0.51 0.87 -1.51 0.00 0.00 179.97 179.78 1yx0 h LYS 122 N 0.06 0.00 0.04 0.20 1.57 0.51 -1.46 116.57 117.49 1yx0 h LYS 122 Ca -0.09 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.45 1yx0 h LYS 122 Cb 1.87 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.19 1yx0 h LYS 122 CO 0.18 0.51 -1.04 1.25 -0.57 0.00 0.00 179.45 179.78 1yx0 h LEU 123 N 0.00 0.58 0.08 2.94 7.12 0.18 -2.51 115.31 123.71 1yx0 h LEU 123 Ca -0.01 -0.50 -0.00 0.00 0.13 0.00 0.00 57.88 57.50 1yx0 h LEU 123 Cb 1.15 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1yx0 h LEU 123 CO 0.07 1.32 -0.04 1.88 -0.13 0.00 0.00 178.44 181.53 1yx0 h TYR 124 N 0.22 -0.10 -0.02 1.25 0.99 -1.31 -3.06 116.97 114.93 1yx0 h TYR 124 Ca -0.11 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.63 1yx0 h TYR 124 Cb 1.70 0.03 -0.00 0.00 1.00 0.00 0.00 36.73 39.46 1yx0 h TYR 124 CO 0.07 0.37 0.02 1.05 -0.00 0.00 0.00 178.16 179.67 1yx0 h GLU 125 N -0.63 0.00 0.00 4.88 -0.00 -1.37 0.13 114.58 117.60 1yx0 h GLU 125 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1yx0 h GLU 125 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.27 1yx0 h GLU 125 CO 0.02 0.00 0.00 0.77 -0.00 0.00 0.00 179.01 179.80 1yx0 h SER 126 N 0.00 0.00 0.06 3.06 0.02 -1.34 0.44 113.55 115.80 1yx0 h SER 126 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1yx0 h SER 126 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1yx0 h SER 126 CO -0.00 0.00 -1.66 0.33 -1.14 0.00 0.00 176.83 174.36 1yx0 n PHE 127 N -2.88 0.05 0.00 3.45 7.35 0.45 -4.98 117.46 120.91 1yx0 n PHE 127 Ca -0.02 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1yx0 n PHE 127 Cb 0.10 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 39.54 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 1.32 2.68 2.39 7.13 0.00 0.15 -5.11 105.19 113.74 1yx0 n GLY 128 Ca -0.02 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.02 -4.41 1.61 3.72 -1.15 -4.83 117.46 112.37 1yx0 n PHE 129 Ca 0.00 0.70 -0.27 0.00 -0.05 0.00 0.00 57.45 57.83 1yx0 n PHE 129 Cb 0.00 -1.40 -0.12 0.00 -0.94 0.00 0.00 39.48 37.03 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1yx0 s GLN 130 N -0.41 1.48 -0.38 -1.08 -1.52 -1.20 -3.87 119.66 112.69 1yx0 s GLN 130 Ca 0.52 -1.49 -0.07 0.00 -1.95 0.00 0.00 55.36 52.37 1yx0 s GLN 130 Cb -0.74 -1.83 0.06 0.00 -0.22 0.00 0.00 33.01 30.28 1yx0 s GLN 130 CO 0.39 0.40 0.18 1.52 -0.25 0.00 0.00 175.29 177.53 1yx0 s TYR 131 N -1.59 3.32 0.00 0.91 1.13 -1.26 -0.54 117.35 119.32 1yx0 s TYR 131 Ca 0.19 -1.55 0.00 0.00 -1.41 0.00 0.00 57.07 54.30 1yx0 s TYR 131 Cb -0.08 -2.63 0.00 0.00 -1.10 0.00 0.00 41.96 38.15 1yx0 s TYR 131 CO 0.09 -0.80 0.00 0.00 -2.51 0.00 0.00 175.55 172.33 1yx0 n GLU 133 N -0.44 0.00 -1.61 0.00 0.28 -1.26 -3.80 120.64 113.82 1yx0 n GLU 133 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1yx0 n GLU 133 Cb 0.00 -0.85 0.05 0.00 1.43 0.00 0.00 31.44 32.06 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1yx0 s PRO 134 N -0.85 2.97 0.00 3.44 0.04 -1.26 -4.33 135.00 135.01 1yx0 s PRO 134 Ca 0.49 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1yx0 s PRO 134 Cb -0.44 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1yx0 s PRO 134 CO 0.56 -1.07 0.00 0.34 0.04 0.00 0.00 177.00 176.87 1yx0 n PHE 135 N -3.04 0.00 0.00 0.56 7.35 -1.26 -4.90 117.46 116.17 1yx0 n PHE 135 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1yx0 n PHE 135 Cb 0.53 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.36 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1yx0 n ALA 136 N -2.11 0.00 -2.38 3.13 0.00 -1.26 0.77 120.51 118.66 1yx0 n ALA 136 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1yx0 n ALA 136 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1yx0 n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx0 n ASP 137 N 3.38 1.04 -1.61 0.00 4.64 -1.26 -5.09 116.55 117.64 1yx0 n ASP 137 Ca 0.00 -2.20 -0.04 0.00 -1.38 0.00 0.00 54.79 51.17 1yx0 n ASP 137 Cb 0.00 -0.32 -0.01 0.00 -1.04 0.00 0.00 41.12 39.75 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 1yx0 n TYR 138 N 0.31 -0.93 -3.91 -0.67 4.01 0.23 -5.19 117.16 111.01 1yx0 n TYR 138 Ca 0.07 -0.70 0.00 0.00 -0.16 0.00 0.00 57.90 57.11 1yx0 n TYR 138 Cb 1.08 0.20 0.00 0.00 -0.31 0.00 0.00 39.34 40.32 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 -0.18 4.02 3.40 2.72 0.00 -1.26 -4.12 105.19 109.77 1yx0 n GLY 139 Ca -0.01 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.09 0.07 -3.57 1.61 1.02 -1.26 -4.84 120.64 113.58 1yx0 n GLU 140 Ca 0.00 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.15 1yx0 n GLU 140 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 1yx0 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1yx0 s ASP 141 N -1.60 -0.20 0.02 1.62 -1.08 -1.26 -5.01 116.67 109.16 1yx0 s ASP 141 Ca 0.60 0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.87 1yx0 s ASP 141 Cb -0.29 0.21 0.93 0.00 -1.46 0.00 0.00 42.92 42.30 1yx0 s ASP 141 CO 0.64 -0.33 1.70 -0.81 0.52 0.00 0.00 175.17 176.89 1yx0 n PRO 142 N -0.08 0.02 -3.01 4.34 -0.04 -1.26 -3.89 135.00 131.07 1yx0 n PRO 142 Ca -0.02 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1yx0 n PRO 142 Cb 0.59 -1.53 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1yx0 n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1yx0 n ASN 143 N -1.56 -1.06 -3.64 3.54 4.13 -1.26 -5.08 115.26 110.34 1yx0 n ASN 143 Ca 0.05 -2.96 -0.10 0.00 1.68 0.00 0.00 54.58 53.26 1yx0 n ASN 143 Cb 0.26 0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 38.81 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1yx0 s SER 144 N -1.42 -0.52 0.06 6.41 0.01 -1.25 -4.44 113.70 112.55 1yx0 s SER 144 Ca 0.34 0.99 -0.00 0.00 1.31 0.00 0.00 55.95 58.58 1yx0 s SER 144 Cb 0.20 1.02 0.00 0.00 0.21 0.00 0.00 66.02 67.45 1yx0 s SER 144 CO -0.16 -0.17 0.09 1.33 0.41 0.00 0.00 173.24 174.74 1yx0 n VAL 145 N 2.46 0.00 -3.69 3.43 0.24 -1.26 -4.64 118.33 114.87 1yx0 n VAL 145 Ca -0.13 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.75 1yx0 n VAL 145 Cb 0.56 0.19 -0.10 0.00 -1.47 0.00 0.00 33.84 33.02 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 -4.78 -0.67 -0.12 6.34 5.36 -1.25 -4.26 117.98 118.60 1yx0 s PHE 146 Ca 0.05 1.45 -0.05 0.00 -0.96 0.00 0.00 56.93 57.42 1yx0 s PHE 146 Cb -0.00 0.32 -0.04 0.00 -0.34 0.00 0.00 43.02 42.96 1yx0 s PHE 146 CO 0.04 -0.36 0.07 1.41 -1.46 0.00 0.00 175.22 174.92 1yx0 s MET 147 N 1.18 3.37 -0.01 10.12 1.75 -1.26 -1.47 119.30 132.97 1yx0 s MET 147 Ca -0.07 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.09 1yx0 s MET 147 Cb -0.07 -3.05 0.02 0.00 2.84 0.00 0.00 34.83 34.58 1yx0 s MET 147 CO -0.11 0.66 0.02 -0.08 -0.65 0.00 0.00 175.02 174.86 1yx0 s THR 148 N -0.72 -0.04 -0.18 10.11 -1.32 0.30 -3.68 115.64 120.12 1yx0 s THR 148 Ca 0.12 0.15 -0.08 0.00 -1.21 0.00 0.00 61.69 60.66 1yx0 s THR 148 Cb -0.12 -0.06 -0.05 0.00 -1.51 0.00 0.00 72.50 70.77 1yx0 s THR 148 CO 0.03 0.06 0.11 -0.75 -2.21 0.00 0.00 174.62 171.85 1yx0 s LYS 149 N 0.72 3.95 -0.35 7.08 2.36 -0.88 -3.21 119.74 129.41 1yx0 s LYS 149 Ca -0.06 -0.25 -0.09 0.00 -2.55 0.00 0.00 55.97 53.03 1yx0 s LYS 149 Cb -0.09 -3.30 0.03 0.00 -1.05 0.00 0.00 37.83 33.42 1yx0 s LYS 149 CO -0.02 0.39 0.15 0.21 1.55 0.00 0.00 175.35 177.64 1yx0 s LYS 150 N 0.07 2.79 0.00 4.03 2.20 -1.26 -2.46 119.74 125.10 1yx0 s LYS 150 Ca 0.08 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.61 1yx0 s LYS 150 Cb -0.12 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1yx0 s LYS 150 CO -0.00 -0.65 0.13 -0.11 -0.36 0.00 0.00 175.35 174.36