#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 1.22 -0.05 2.03 0.09 -1.26 -4.94 115.29 112.38 1yx0 s HIS 2 Ca 0.00 0.64 0.06 0.00 -0.00 0.00 0.00 55.06 55.76 1yx0 s HIS 2 Cb 0.00 -3.92 -0.02 0.00 -0.00 0.00 0.00 32.58 28.65 1yx0 s HIS 2 CO 0.00 -3.82 -0.23 0.42 -0.00 0.00 0.00 174.74 171.11 1yx0 s ILE 3 N 8.55 2.25 0.34 0.60 -1.09 -1.26 -1.66 121.20 128.92 1yx0 s ILE 3 Ca 0.98 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 1yx0 s ILE 3 Cb -0.30 -1.82 -0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1yx0 s ILE 3 CO 0.34 0.57 0.44 -0.54 -1.23 0.00 0.00 174.94 174.52 1yx0 s LYS 4 N -0.33 1.88 -0.13 2.79 1.02 -0.93 -4.97 119.74 119.06 1yx0 s LYS 4 Ca 0.02 -1.79 -0.03 0.00 0.02 0.00 0.00 55.97 54.18 1yx0 s LYS 4 Cb -0.12 0.42 -0.03 0.00 -0.52 0.00 0.00 37.83 37.58 1yx0 s LYS 4 CO 0.02 -0.76 -0.02 0.42 -0.92 0.00 0.00 175.35 174.09 1yx0 s ILE 5 N -3.13 4.08 -0.29 2.17 1.01 -1.26 -2.20 121.20 121.58 1yx0 s ILE 5 Ca 0.32 -0.31 -0.16 0.00 0.00 0.00 0.00 60.65 60.51 1yx0 s ILE 5 Cb 0.00 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1yx0 s ILE 5 CO 0.21 0.52 0.41 -0.62 0.00 0.00 0.00 174.94 175.46 1yx0 s ASP 6 N -0.03 6.28 -0.32 3.58 2.15 0.23 -4.83 116.67 123.72 1yx0 s ASP 6 Ca 0.02 0.21 0.02 0.00 0.43 0.00 0.00 52.55 53.23 1yx0 s ASP 6 Cb -0.13 -2.23 0.10 0.00 -0.30 0.00 0.00 42.92 40.36 1yx0 s ASP 6 CO 0.02 -0.25 0.06 -1.81 -0.17 0.00 0.00 175.17 173.02 1yx0 s ASP 7 N 1.66 4.40 0.41 -0.34 -0.00 -1.26 -3.38 116.67 118.16 1yx0 s ASP 7 Ca 0.16 -1.87 0.00 0.00 -0.00 0.00 0.00 52.55 50.84 1yx0 s ASP 7 Cb -0.16 -1.30 0.00 0.00 -0.00 0.00 0.00 42.92 41.47 1yx0 s ASP 7 CO 0.10 -0.38 0.00 0.18 -0.00 0.00 0.00 175.17 175.08 1yx0 n LEU 8 N 4.52 -0.73 -1.13 1.23 7.99 -1.26 -4.98 117.00 122.64 1yx0 n LEU 8 Ca 0.00 1.67 0.14 0.00 -0.01 0.00 0.00 56.01 57.82 1yx0 n LEU 8 Cb 0.42 -3.86 -0.06 0.00 -0.11 0.00 0.00 43.42 39.81 1yx0 n LEU 8 CO 0.17 -2.30 -0.39 1.07 -1.51 0.00 0.00 177.39 174.43 1yx0 n THR 9 N -3.89 -0.14 0.00 -5.08 5.66 -1.26 -5.07 114.28 104.50 1yx0 n THR 9 Ca -0.04 0.45 0.00 0.00 -3.05 0.00 0.00 64.05 61.41 1yx0 n THR 9 Cb 0.63 -0.84 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 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 -3.91 -0.08 0.05 1.09 0.00 -1.26 -4.75 105.19 96.33 1yx0 n GLY 10 Ca -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.01 -0.49 1.61 3.08 -1.98 0.13 114.38 116.72 1yx0 h ARG 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yx0 h ARG 11 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1yx0 h ARG 11 CO 0.00 0.12 0.32 1.96 -1.07 0.00 0.00 179.97 181.30 1yx0 h GLN 12 N -0.13 0.65 0.32 0.04 4.20 -1.96 1.18 115.11 119.41 1yx0 h GLN 12 Ca -0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1yx0 h GLN 12 Cb 0.13 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1yx0 h GLN 12 CO 0.00 0.44 -0.23 0.28 -0.67 0.00 0.00 178.83 178.65 1yx0 h VAL 13 N 0.67 0.51 -0.17 -0.54 2.07 -1.86 0.70 116.25 117.63 1yx0 h VAL 13 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1yx0 h VAL 13 Cb -0.07 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1yx0 h VAL 13 CO -0.04 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.23 1yx0 h VAL 14 N -0.55 1.09 -0.82 2.57 2.07 -0.49 0.68 116.25 120.80 1yx0 h VAL 14 Ca -0.03 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1yx0 h VAL 14 Cb 0.47 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 1yx0 h VAL 14 CO 0.01 0.08 0.53 0.28 0.02 0.00 0.00 177.57 178.49 1yx0 h SER 15 N 0.18 0.67 -0.15 0.57 0.02 0.17 0.75 113.55 115.76 1yx0 h SER 15 Ca 0.06 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1yx0 h SER 15 Cb 0.05 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1yx0 h SER 15 CO -0.01 0.39 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.92 1yx0 h LEU 16 N 0.74 0.33 -1.40 5.07 4.07 0.12 0.24 115.31 124.48 1yx0 h LEU 16 Ca 0.38 -0.42 -0.05 0.00 0.08 0.00 0.00 57.88 57.87 1yx0 h LEU 16 Cb 0.49 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1yx0 h LEU 16 CO -0.15 0.68 -0.14 0.58 -1.08 0.00 0.00 178.44 178.33 1yx0 h VAL 17 N -0.01 1.18 0.31 1.22 2.07 0.45 -3.15 116.25 118.31 1yx0 h VAL 17 Ca 0.03 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1yx0 h VAL 17 Cb 0.56 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1yx0 h VAL 17 CO 0.02 0.25 -0.15 0.78 0.02 0.00 0.00 177.57 178.49 1yx0 h ASN 18 N 0.21 -0.35 0.00 0.57 2.35 0.71 -3.47 115.58 115.60 1yx0 h ASN 18 Ca 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1yx0 h ASN 18 Cb 0.38 0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1yx0 h ASN 18 CO 0.02 -0.15 0.00 -1.84 -1.65 0.00 0.00 177.43 173.81 1yx0 n GLU 19 N -3.67 0.00 -0.09 0.81 0.28 0.05 -4.86 120.64 113.17 1yx0 n GLU 19 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.85 1yx0 n GLU 19 Cb 0.16 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.00 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 0.05 -1.84 -0.00 -1.24 -4.75 115.22 107.76 1yx0 n HIS 20 Ca 0.00 0.14 -0.03 0.00 0.46 0.00 0.00 57.72 58.29 1yx0 n HIS 20 Cb 0.00 -0.64 -0.02 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 -0.19 -8.75 0.27 4.07 -1.94 -3.49 115.31 104.29 1yx0 h LEU 21 Ca -0.07 0.01 -0.39 0.00 0.08 0.00 0.00 57.88 57.51 1yx0 h LEU 21 Cb 0.91 0.05 -0.11 0.00 1.08 0.00 0.00 40.66 42.58 1yx0 h LEU 21 CO -0.04 0.23 -0.39 -1.00 -1.08 0.00 0.00 178.44 176.16 1yx0 s HIS 22 N -2.25 1.47 -0.09 1.13 3.76 -1.26 -5.12 115.29 112.94 1yx0 s HIS 22 Ca -0.03 -1.51 0.03 0.00 -0.15 0.00 0.00 55.06 53.39 1yx0 s HIS 22 Cb 0.00 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 33.22 1yx0 s HIS 22 CO 0.10 -0.96 -0.19 -1.54 -0.85 0.00 0.00 174.74 171.31 1yx0 s SER 23 N -3.31 2.51 -0.30 1.40 1.04 -1.26 -4.57 113.70 109.20 1yx0 s SER 23 Ca 0.37 -0.45 -0.16 0.00 0.48 0.00 0.00 55.95 56.19 1yx0 s SER 23 Cb 0.02 -1.15 0.21 0.00 0.10 0.00 0.00 66.02 65.20 1yx0 s SER 23 CO 0.24 0.10 1.26 -0.32 0.98 0.00 0.00 173.24 175.50 1yx0 s MET 24 N 0.53 0.04 -0.46 4.02 0.00 -1.26 -5.10 119.30 117.08 1yx0 s MET 24 Ca -0.16 0.08 0.07 0.00 0.00 0.00 0.00 55.69 55.68 1yx0 s MET 24 Cb -0.17 0.01 0.26 0.00 0.00 0.00 0.00 34.83 34.93 1yx0 s MET 24 CO 0.06 -0.01 0.82 2.41 0.00 0.00 0.00 175.02 178.29 1yx0 n THR 25 N 3.18 -0.18 -1.35 10.11 -1.04 -1.26 -5.14 114.28 118.60 1yx0 n THR 25 Ca -0.17 -2.27 0.05 0.00 -2.04 0.00 0.00 64.05 59.62 1yx0 n THR 25 Cb 0.56 0.55 -0.01 0.00 -1.82 0.00 0.00 70.33 69.61 1yx0 n THR 25 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1yx0 n LEU 26 N 1.38 0.00 -4.69 -4.42 4.32 -1.26 -4.90 117.00 107.43 1yx0 n LEU 26 Ca 0.12 0.37 -0.29 0.00 -0.02 0.00 0.00 56.01 56.20 1yx0 n LEU 26 Cb 0.61 -1.20 -0.09 0.00 -1.62 0.00 0.00 43.42 41.13 1yx0 n LEU 26 CO 0.08 -0.98 -0.24 -0.32 -1.22 0.00 0.00 177.39 174.71 1yx0 s MET 27 N -0.83 2.09 0.03 3.23 1.75 -1.26 -5.16 119.30 119.15 1yx0 s MET 27 Ca 0.00 -2.13 0.06 0.00 -1.25 0.00 0.00 55.69 52.37 1yx0 s MET 27 Cb 0.00 -1.70 -0.02 0.00 2.84 0.00 0.00 34.83 35.95 1yx0 s MET 27 CO 0.00 -0.17 -0.17 -1.54 -0.65 0.00 0.00 175.02 172.49 1yx0 s SER 28 N -3.82 1.99 0.94 1.11 1.04 -1.26 -5.15 113.70 108.55 1yx0 s SER 28 Ca 0.28 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.15 1yx0 s SER 28 Cb 0.06 -0.17 0.16 0.00 0.10 0.00 0.00 66.02 66.17 1yx0 s SER 28 CO 0.15 0.12 1.15 -2.16 0.98 0.00 0.00 173.24 173.48 1yx0 s PRO 29 N -0.95 0.90 -0.54 4.02 0.04 -1.26 -4.95 135.00 132.25 1yx0 s PRO 29 Ca 0.05 0.19 -0.28 0.00 0.04 0.00 0.00 61.00 61.00 1yx0 s PRO 29 Cb -0.08 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1yx0 s PRO 29 CO 0.01 -2.34 1.49 -1.25 0.04 0.00 0.00 177.00 174.94 1yx0 s PRO 30 N -5.35 3.26 0.00 0.56 0.04 -1.26 -3.98 135.00 128.27 1yx0 s PRO 30 Ca 0.65 0.57 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1yx0 s PRO 30 Cb -0.13 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1yx0 s PRO 30 CO 0.53 -1.98 0.00 -1.91 0.04 0.00 0.00 177.00 173.68 1yx0 n GLU 31 N 8.66 0.00 -2.83 4.56 2.13 -1.26 -5.05 120.64 126.85 1yx0 n GLU 31 Ca 0.14 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.53 1yx0 n GLU 31 Cb 0.49 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.19 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1yx0 s SER 32 N 0.00 6.88 0.00 4.31 0.01 -1.26 -4.74 113.70 118.91 1yx0 s SER 32 Ca 0.00 -2.55 0.30 0.00 1.31 0.00 0.00 55.95 55.01 1yx0 s SER 32 Cb 0.00 -2.46 1.79 0.00 0.21 0.00 0.00 66.02 65.56 1yx0 s SER 32 CO 0.00 -0.97 2.13 0.00 0.41 0.00 0.00 173.24 174.81 1yx0 n ILE 33 N 5.39 0.00 -3.62 1.44 3.06 -1.26 -4.80 119.36 119.56 1yx0 n ILE 33 Ca 0.37 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.56 1yx0 n ILE 33 Cb 0.45 -0.50 -0.05 0.00 0.54 0.00 0.00 39.64 40.09 1yx0 n ILE 33 CO 0.00 0.00 0.00 -1.38 -2.50 0.00 0.00 176.55 172.67 1yx0 s HIS 34 N -2.00 -0.16 -0.03 9.51 -3.43 -1.26 -5.07 115.29 112.85 1yx0 s HIS 34 Ca 0.45 0.28 -0.01 0.00 -0.80 0.00 0.00 55.06 54.98 1yx0 s HIS 34 Cb 0.21 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.83 1yx0 s HIS 34 CO 0.35 -0.14 0.04 0.00 -2.00 0.00 0.00 174.74 172.98 1yx0 n ALA 35 N 0.64 -2.72 -0.28 -1.38 0.00 -1.26 -4.94 120.51 110.57 1yx0 n ALA 35 Ca -0.04 0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1yx0 n ALA 35 Cb 0.58 -0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 0.11 -1.88 0.00 0.00 5.85 -1.98 -3.46 115.31 113.95 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 0.24 0.83 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1yx0 h LEU 36 CO 0.01 -0.31 0.00 0.61 -0.34 0.00 0.00 178.44 178.41 1yx0 n GLY 37 N -1.34 0.74 0.00 3.75 0.00 -1.26 -5.09 105.19 101.99 1yx0 n GLY 37 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.02 0.99 4.32 -1.26 -4.86 117.00 112.17 1yx0 n LEU 38 Ca 0.00 0.32 -0.42 0.00 -0.02 0.00 0.00 56.01 55.88 1yx0 n LEU 38 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1yx0 n LEU 38 CO 0.00 0.00 -0.18 1.21 -1.22 0.00 0.00 177.39 177.20 1yx0 n GLU 39 N -0.33 -0.50 0.00 3.23 2.13 -1.26 -4.66 120.64 119.24 1yx0 n GLU 39 Ca 0.00 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1yx0 n GLU 39 Cb 0.00 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.23 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 -4.57 0.00 -1.18 5.31 4.81 -1.26 -4.95 118.16 116.31 1yx0 n LYS 40 Ca -0.15 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.09 1yx0 n LYS 40 Cb 0.59 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.59 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yx0 n LEU 41 N -1.84 6.17 -2.70 3.14 4.32 -1.26 -4.31 117.00 120.52 1yx0 n LEU 41 Ca 0.00 -3.60 -0.05 0.00 -0.02 0.00 0.00 56.01 52.35 1yx0 n LEU 41 Cb 0.00 -1.22 0.04 0.00 -1.62 0.00 0.00 43.42 40.63 1yx0 n LEU 41 CO 0.00 1.55 0.40 -1.14 -1.22 0.00 0.00 177.39 176.98 1yx0 n ARG 42 N 1.08 0.30 0.00 3.23 0.63 -1.26 -5.10 116.66 115.54 1yx0 n ARG 42 Ca 0.40 -1.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.18 1yx0 n ARG 42 Cb 0.62 -0.53 0.00 0.00 0.45 0.00 0.00 32.46 33.00 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 2.21 0.99 2.25 5.14 0.00 -1.26 -4.83 105.19 109.70 1yx0 n GLY 43 Ca 0.10 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.28 1.96 0.00 1.61 -0.04 -1.26 -3.09 135.00 133.90 1yx0 n PRO 44 Ca 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1yx0 n PRO 44 Cb 0.00 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 3.10 0.00 -3.53 0.54 4.07 -1.26 -5.09 120.64 118.47 1yx0 n GLU 45 Ca 0.42 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 57.17 1yx0 n GLU 45 Cb 0.50 -0.24 -0.05 0.00 -0.06 0.00 0.00 31.44 31.59 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 -1.59 5.05 -0.01 6.31 1.01 -1.18 -4.90 121.20 125.89 1yx0 s ILE 46 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.23 1yx0 s ILE 46 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1yx0 s ILE 46 CO 0.00 0.29 -0.12 -0.89 0.00 0.00 0.00 174.94 174.21 1yx0 s THR 47 N -1.40 3.23 -0.16 2.92 2.01 -1.26 -4.81 115.64 116.16 1yx0 s THR 47 Ca 0.34 -0.85 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1yx0 s THR 47 Cb -0.14 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1yx0 s THR 47 CO 0.18 0.45 -0.17 0.12 -0.69 0.00 0.00 174.62 174.52 1yx0 s PHE 48 N -0.88 2.77 0.10 4.92 5.36 -1.22 -3.22 117.98 125.82 1yx0 s PHE 48 Ca 0.14 -1.25 0.01 0.00 -0.96 0.00 0.00 56.93 54.87 1yx0 s PHE 48 Cb -0.11 -1.90 -0.04 0.00 -0.34 0.00 0.00 43.02 40.63 1yx0 s PHE 48 CO 0.04 -0.60 0.23 -1.58 -1.46 0.00 0.00 175.22 171.85 1yx0 s TRP 49 N 1.00 3.48 -0.19 10.12 0.51 -0.84 0.75 118.94 133.78 1yx0 s TRP 49 Ca -0.02 0.18 -0.28 0.00 -2.12 0.00 0.00 56.10 53.87 1yx0 s TRP 49 Cb -0.15 -1.71 0.10 0.00 -0.81 0.00 0.00 33.47 30.91 1yx0 s TRP 49 CO -0.04 0.56 0.89 -1.12 -0.51 0.00 0.00 176.95 176.72 1yx0 s SER 50 N -2.79 -0.52 0.35 2.95 0.01 -0.94 -1.46 113.70 111.31 1yx0 s SER 50 Ca 0.34 0.79 0.07 0.00 1.31 0.00 0.00 55.95 58.46 1yx0 s SER 50 Cb -0.12 0.72 -0.02 0.00 0.21 0.00 0.00 66.02 66.81 1yx0 s SER 50 CO 0.28 -0.33 0.38 0.00 0.41 0.00 0.00 173.24 173.97 1yx0 s ALA 51 N -0.49 4.04 -0.11 1.44 0.00 0.39 -2.20 121.76 124.84 1yx0 s ALA 51 Ca -0.02 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1yx0 s ALA 51 Cb -0.02 -1.34 0.06 0.00 0.00 0.00 0.00 23.12 21.81 1yx0 s ALA 51 CO 0.01 -0.05 0.18 -1.58 0.00 0.00 0.00 175.76 174.31 1yx0 s TRP 52 N -2.29 -0.20 -0.52 0.00 0.52 -0.67 -1.63 118.94 114.16 1yx0 s TRP 52 Ca 0.44 0.53 0.05 0.00 0.02 0.00 0.00 56.10 57.14 1yx0 s TRP 52 Cb -0.07 -0.28 0.20 0.00 -1.15 0.00 0.00 33.47 32.16 1yx0 s TRP 52 CO 0.29 -0.35 0.47 -1.91 0.02 0.00 0.00 176.95 175.47 1yx0 n GLU 53 N 5.32 1.07 0.00 4.98 2.13 -1.20 -4.20 120.64 128.74 1yx0 n GLU 53 Ca -0.05 -3.76 0.00 0.00 0.66 0.00 0.00 57.16 54.01 1yx0 n GLU 53 Cb 0.50 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 2.05 0.32 0.73 8.31 0.00 -1.26 -4.47 105.19 110.87 1yx0 n GLY 54 Ca 0.25 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.84 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 3.11 -4.30 1.61 10.43 -1.26 -4.98 116.55 121.16 1yx0 n ASP 55 Ca 0.00 -2.08 -0.16 0.00 2.57 0.00 0.00 54.79 55.12 1yx0 n ASP 55 Cb 0.00 -0.28 -0.10 0.00 1.84 0.00 0.00 41.12 42.58 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1yx0 s GLU 56 N -1.15 1.22 -0.05 -1.24 -1.05 -1.26 -5.10 118.70 110.07 1yx0 s GLU 56 Ca 0.27 -1.56 -0.30 0.00 -0.15 0.00 0.00 54.97 53.23 1yx0 s GLU 56 Cb 0.15 -0.75 -0.05 0.00 -0.44 0.00 0.00 34.13 33.04 1yx0 s GLU 56 CO 0.17 0.05 1.57 -0.51 0.95 0.00 0.00 175.26 177.49 1yx0 s LEU 57 N -3.25 4.31 0.00 1.83 2.01 -1.26 -3.24 118.68 119.08 1yx0 s LEU 57 Ca 0.22 2.18 0.28 0.00 0.01 0.00 0.00 54.13 56.82 1yx0 s LEU 57 Cb 0.03 -3.54 1.21 0.00 0.01 0.00 0.00 46.19 43.90 1yx0 s LEU 57 CO 0.05 -0.87 1.89 0.00 1.01 0.00 0.00 176.35 178.43 1yx0 n ALA 58 N 6.67 2.28 0.00 4.21 0.00 -0.65 -4.83 120.51 128.19 1yx0 n ALA 58 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1yx0 n ALA 58 Cb 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.32 4.01 3.20 0.00 0.00 -1.22 -4.15 105.19 108.35 1yx0 n GLY 59 Ca 0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.70 -0.31 0.04 0.00 0.00 -0.53 -4.50 107.32 99.32 1yx0 s GLY 61 Ca 0.03 1.56 0.08 0.00 0.00 0.00 0.00 44.72 46.39 1yx0 s GLY 61 CO -0.10 0.47 -0.23 0.00 0.00 0.00 0.00 173.10 173.25 1yx0 s ALA 62 N -2.08 2.41 -0.17 3.20 0.00 -1.26 -1.98 121.76 121.88 1yx0 s ALA 62 Ca 0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1yx0 s ALA 62 Cb 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 23.12 22.62 1yx0 s ALA 62 CO -0.04 0.55 0.25 -1.17 0.00 0.00 0.00 175.76 175.35 1yx0 s LEU 63 N -1.31 -0.23 0.12 0.00 0.20 -1.20 -2.86 118.68 113.40 1yx0 s LEU 63 Ca 0.13 0.17 -0.02 0.00 0.69 0.00 0.00 54.13 55.11 1yx0 s LEU 63 Cb -0.10 0.57 -0.05 0.00 -0.43 0.00 0.00 46.19 46.18 1yx0 s LEU 63 CO 0.03 -0.28 0.31 -1.59 -0.29 0.00 0.00 176.35 174.52 1yx0 s LYS 64 N 2.38 3.52 -0.13 1.98 -2.85 -1.22 -4.11 119.74 119.30 1yx0 s LYS 64 Ca 0.05 -0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.41 1yx0 s LYS 64 Cb -0.14 -2.93 -0.01 0.00 -2.06 0.00 0.00 37.83 32.69 1yx0 s LYS 64 CO -0.11 0.52 1.02 -1.21 0.10 0.00 0.00 175.35 175.67 1yx0 s GLU 65 N -2.76 4.38 -0.24 1.78 2.02 -1.26 -3.81 118.70 118.81 1yx0 s GLU 65 Ca 0.38 1.40 -0.15 0.00 0.02 0.00 0.00 54.97 56.61 1yx0 s GLU 65 Cb -0.12 -3.57 -0.10 0.00 0.10 0.00 0.00 34.13 30.44 1yx0 s GLU 65 CO 0.27 -0.40 -0.36 1.28 0.02 0.00 0.00 175.26 176.07 1yx0 n LEU 66 N 5.35 1.95 0.00 1.80 4.77 -1.21 -5.05 117.00 124.61 1yx0 n LEU 66 Ca 0.10 0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 56.27 1yx0 n LEU 66 Cb 0.48 -0.79 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1yx0 n LEU 66 CO 0.52 0.26 0.07 0.47 -1.33 0.00 0.00 177.39 177.38 1yx0 n ASP 67 N -4.33 -1.01 0.25 -1.43 9.92 -1.22 -4.95 116.55 113.78 1yx0 n ASP 67 Ca -0.39 -2.75 0.17 0.00 -0.53 0.00 0.00 54.79 51.29 1yx0 n ASP 67 Cb 0.75 1.98 0.83 0.00 -0.64 0.00 0.00 41.12 44.04 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 1.91 0.00 -0.56 -3.53 1.03 -2.01 -3.02 112.91 106.73 1yx0 h THR 68 Ca -0.23 -0.18 -0.28 0.00 -0.01 0.00 0.00 66.41 65.71 1yx0 h THR 68 Cb 1.05 1.04 -0.34 0.00 -1.07 0.00 0.00 68.15 68.82 1yx0 h THR 68 CO 0.32 0.00 -0.95 -2.11 -0.01 0.00 0.00 175.52 172.76 1yx0 n ARG 69 N -2.78 1.37 -3.82 0.00 1.85 -1.26 -4.85 116.66 107.16 1yx0 n ARG 69 Ca -0.01 -2.92 -0.12 0.00 -1.00 0.00 0.00 57.85 53.80 1yx0 n ARG 69 Cb 0.16 -1.01 -0.10 0.00 -1.05 0.00 0.00 32.46 30.45 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 -2.54 -0.09 -0.26 2.89 2.46 -1.14 -2.46 115.29 114.16 1yx0 s HIS 70 Ca 0.24 0.16 -0.20 0.00 0.47 0.00 0.00 55.06 55.74 1yx0 s HIS 70 Cb 0.40 0.02 0.07 0.00 -0.13 0.00 0.00 32.58 32.95 1yx0 s HIS 70 CO -0.02 -0.27 0.66 0.20 -2.47 0.00 0.00 174.74 172.83 1yx0 s GLY 71 N -1.00 -0.54 -0.06 1.59 0.00 -1.26 -3.36 107.32 102.70 1yx0 s GLY 71 Ca -0.11 2.06 0.03 0.00 0.00 0.00 0.00 44.72 46.71 1yx0 s GLY 71 CO 0.02 1.92 -0.15 1.85 0.00 0.00 0.00 173.10 176.74 1yx0 s GLU 72 N 0.89 1.76 0.01 2.90 2.12 -1.25 -1.59 118.70 123.54 1yx0 s GLU 72 Ca -0.04 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 1yx0 s GLU 72 Cb -0.05 -1.48 -0.04 0.00 0.26 0.00 0.00 34.13 32.82 1yx0 s GLU 72 CO -0.08 0.12 0.23 0.42 -0.54 0.00 0.00 175.26 175.42 1yx0 s ILE 73 N 0.37 5.36 -0.37 -3.70 1.09 -1.22 -3.39 121.20 119.34 1yx0 s ILE 73 Ca -0.10 -0.01 0.12 0.00 -1.10 0.00 0.00 60.65 59.56 1yx0 s ILE 73 Cb -0.14 -3.56 0.35 0.00 -1.06 0.00 0.00 42.46 38.05 1yx0 s ILE 73 CO 0.03 0.32 0.74 2.29 -0.10 0.00 0.00 174.94 178.22 1yx0 n LYS 74 N 0.94 0.97 0.00 2.79 2.85 -1.14 -3.50 118.16 121.07 1yx0 n LYS 74 Ca -0.10 -3.36 0.00 0.00 -1.05 0.00 0.00 58.31 53.80 1yx0 n LYS 74 Cb 0.53 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1yx0 n SER 75 N 0.28 0.00 0.00 -5.58 2.88 -1.26 -4.64 113.62 105.30 1yx0 n SER 75 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1yx0 n SER 75 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1yx0 n SER 75 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1yx0 n MET 76 N -0.11 0.00 -4.00 -1.46 2.81 -1.26 -4.80 117.12 108.30 1yx0 n MET 76 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.58 1yx0 n MET 76 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.36 1yx0 n MET 76 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1yx0 s ARG 77 N 0.00 1.62 0.00 0.03 3.00 -1.26 -5.01 118.95 117.33 1yx0 s ARG 77 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 55.73 54.18 1yx0 s ARG 77 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 32.02 1yx0 s ARG 77 CO 0.00 -0.81 0.00 2.41 0.00 0.00 0.00 175.30 176.90 1yx0 n THR 78 N 4.41 0.00 -3.65 0.02 -1.04 -1.26 -4.68 114.28 108.08 1yx0 n THR 78 Ca -0.03 0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1yx0 n THR 78 Cb 0.42 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.64 1yx0 n THR 78 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1yx0 s SER 79 N -1.23 -0.36 0.11 8.00 0.15 -1.26 -4.97 113.70 114.14 1yx0 s SER 79 Ca 0.00 -0.34 -0.23 0.00 0.70 0.00 0.00 55.95 56.09 1yx0 s SER 79 Cb 0.00 0.61 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 1yx0 s SER 79 CO 0.00 -1.07 1.39 0.00 1.20 0.00 0.00 173.24 174.76 1yx0 h ALA 80 N 2.11 -0.44 0.00 5.45 0.00 -1.97 -3.39 119.26 121.01 1yx0 h ALA 80 Ca -0.29 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1yx0 h ALA 80 Cb 1.28 1.23 -0.07 0.00 0.00 0.00 0.00 17.79 20.22 1yx0 h ALA 80 CO 0.36 -0.72 -0.13 -1.13 0.00 0.00 0.00 179.25 177.62 1yx0 n SER 81 N -4.62 -0.65 0.00 0.00 3.41 -1.26 -5.10 113.62 105.40 1yx0 n SER 81 Ca 0.01 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1yx0 n SER 81 Cb 0.20 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.58 0.00 -1.63 7.33 8.25 -1.26 -4.92 115.22 122.41 1yx0 n HIS 82 Ca -0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.01 1yx0 n HIS 82 Cb 0.63 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.82 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 0.00 3.44 -0.22 2.41 1.02 -1.26 -5.00 118.68 119.07 1yx0 s LEU 83 Ca 0.00 2.38 -0.07 0.00 0.02 0.00 0.00 54.13 56.47 1yx0 s LEU 83 Cb 0.00 -4.59 -0.03 0.00 0.02 0.00 0.00 46.19 41.59 1yx0 s LEU 83 CO 0.00 -2.04 0.05 -0.13 0.02 0.00 0.00 176.35 174.25 1yx0 s ARG 84 N -3.71 3.72 -0.12 1.70 1.81 -1.26 -4.77 118.95 116.32 1yx0 s ARG 84 Ca 0.76 -0.46 -0.10 0.00 -1.72 0.00 0.00 55.73 54.21 1yx0 s ARG 84 Cb -0.30 -3.24 0.01 0.00 -0.45 0.00 0.00 34.95 30.97 1yx0 s ARG 84 CO 0.41 -0.04 0.17 1.63 -0.68 0.00 0.00 175.30 176.79 1yx0 n LYS 85 N 4.46 -0.77 0.11 3.54 4.01 -1.26 -4.85 118.16 123.39 1yx0 n LYS 85 Ca -0.16 0.99 0.00 0.00 -0.51 0.00 0.00 58.31 58.63 1yx0 n LYS 85 Cb 0.52 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.65 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 0.91 -1.48 0.48 0.72 0.00 -1.26 -4.88 105.19 99.67 1yx0 n GLY 86 Ca -0.02 0.45 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 0.04 -0.58 1.61 2.07 -1.89 0.66 116.25 118.16 1yx0 h VAL 87 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yx0 h VAL 87 Cb 0.00 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 1yx0 h VAL 87 CO 0.00 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.96 1yx0 h ALA 88 N -0.64 1.56 -0.93 1.67 0.00 -1.91 -0.89 119.26 118.11 1yx0 h ALA 88 Ca -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yx0 h ALA 88 Cb 0.81 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1yx0 h ALA 88 CO -0.16 0.40 0.57 0.87 0.00 0.00 0.00 179.25 180.93 1yx0 h LYS 89 N 0.79 1.25 -0.93 0.00 1.57 -1.56 0.38 116.57 118.06 1yx0 h LYS 89 Ca 0.21 -0.10 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1yx0 h LYS 89 Cb -0.06 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 31.92 1yx0 h LYS 89 CO -0.04 0.86 0.59 1.96 -0.57 0.00 0.00 179.45 182.25 1yx0 h GLN 90 N 1.27 1.05 0.03 3.15 4.20 0.17 0.68 115.11 125.66 1yx0 h GLN 90 Ca 0.33 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 1yx0 h GLN 90 Cb -0.08 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.46 1yx0 h GLN 90 CO -0.07 0.70 -0.01 0.28 -0.67 0.00 0.00 178.83 179.06 1yx0 h VAL 91 N 1.08 1.43 -0.19 -0.54 2.07 -1.10 -1.15 116.25 117.84 1yx0 h VAL 91 Ca 0.40 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.33 1yx0 h VAL 91 Cb 0.14 2.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 1yx0 h VAL 91 CO -0.17 0.41 -0.27 0.25 0.02 0.00 0.00 177.57 177.81 1yx0 h LEU 92 N -0.78 -0.86 -1.75 2.57 5.85 0.04 0.82 115.31 121.20 1yx0 h LEU 92 Ca -0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1yx0 h LEU 92 Cb 0.69 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1yx0 h LEU 92 CO 0.01 -0.31 -0.10 -0.61 -0.34 0.00 0.00 178.44 177.09 1yx0 h GLN 93 N -0.31 0.03 0.44 1.25 -0.00 0.27 0.02 115.11 116.82 1yx0 h GLN 93 Ca 0.12 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1yx0 h GLN 93 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.97 1yx0 h GLN 93 CO -0.37 0.13 -0.21 1.25 0.00 0.00 0.00 178.83 179.63 1yx0 h HIS 94 N 0.03 -0.55 -0.57 3.99 2.76 0.67 -0.59 115.15 120.88 1yx0 h HIS 94 Ca 0.01 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 1yx0 h HIS 94 Cb 0.20 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 1yx0 h HIS 94 CO 0.00 -0.25 0.16 0.82 -1.30 0.00 0.00 177.93 177.36 1yx0 h ILE 95 N -1.04 0.72 -0.84 6.26 2.04 0.71 0.27 117.51 125.63 1yx0 h ILE 95 Ca -0.06 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1yx0 h ILE 95 Cb 0.55 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1yx0 h ILE 95 CO 0.10 0.06 0.55 0.40 0.00 0.00 0.00 178.15 179.26 1yx0 h ILE 96 N 0.31 1.09 -0.41 -0.67 2.04 -1.01 -0.08 117.51 118.78 1yx0 h ILE 96 Ca 0.29 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 1yx0 h ILE 96 Cb 0.38 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1yx0 h ILE 96 CO -0.33 0.18 0.00 -0.08 0.00 0.00 0.00 178.15 177.92 1yx0 h GLU 97 N 0.98 0.73 -0.24 2.37 4.81 0.10 0.45 114.58 123.78 1yx0 h GLU 97 Ca 0.35 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1yx0 h GLU 97 Cb 0.13 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1yx0 h GLU 97 CO -0.12 0.81 0.16 0.93 -0.73 0.00 0.00 179.01 180.06 1yx0 h GLU 98 N 0.56 0.32 -0.12 1.92 4.39 0.41 0.72 114.58 122.79 1yx0 h GLU 98 Ca 0.12 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 1yx0 h GLU 98 Cb 0.48 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1yx0 h GLU 98 CO 0.02 0.21 -0.44 0.00 -1.16 0.00 0.00 179.01 177.64 1yx0 h ALA 99 N 1.09 1.03 0.22 3.43 0.00 -0.95 -2.70 119.26 121.38 1yx0 h ALA 99 Ca 0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1yx0 h ALA 99 Cb -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1yx0 h ALA 99 CO -0.02 0.62 -0.10 0.93 0.00 0.00 0.00 179.25 180.68 1yx0 h GLU 100 N 0.23 -0.28 -0.10 0.00 4.39 0.61 1.43 114.58 120.87 1yx0 h GLU 100 Ca 0.02 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1yx0 h GLU 100 Cb 0.88 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.54 1yx0 h GLU 100 CO 0.07 -0.15 -0.21 -0.22 -1.16 0.00 0.00 179.01 177.34 1yx0 h LYS 101 N -0.34 -0.27 -0.69 2.33 3.64 -0.81 -1.46 116.57 118.96 1yx0 h LYS 101 Ca -0.03 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1yx0 h LYS 101 Cb 0.26 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1yx0 h LYS 101 CO 0.05 -0.18 0.22 0.00 -2.27 0.00 0.00 179.45 177.27 1yx0 h ARG 102 N -0.28 1.06 -1.87 1.90 2.47 -1.32 -3.48 114.38 112.85 1yx0 h ARG 102 Ca 0.09 -0.22 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1yx0 h ARG 102 Cb 0.41 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1yx0 h ARG 102 CO -0.26 0.90 0.00 0.41 0.56 0.00 0.00 179.97 181.58 1yx0 n GLY 103 N -0.82 -0.03 0.91 0.04 0.00 0.48 -5.09 105.19 100.67 1yx0 n GLY 103 Ca 0.06 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.45 -3.80 -0.06 1.61 0.53 -0.76 -4.86 117.16 109.37 1yx0 n TYR 104 Ca 0.00 -0.31 -0.07 0.00 -1.02 0.00 0.00 57.90 56.50 1yx0 n TYR 104 Cb 0.14 -0.22 -0.07 0.00 -1.03 0.00 0.00 39.34 38.16 1yx0 n TYR 104 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 1yx0 n GLU 105 N -1.60 1.31 -3.47 -0.72 2.13 -1.03 -4.92 120.64 112.34 1yx0 n GLU 105 Ca 0.04 0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.78 1yx0 n GLU 105 Cb 0.14 -1.26 -0.03 0.00 0.27 0.00 0.00 31.44 30.56 1yx0 n GLU 105 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1yx0 s ARG 106 N -2.25 1.05 -0.08 5.31 0.52 -1.26 -4.15 118.95 118.09 1yx0 s ARG 106 Ca -0.11 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1yx0 s ARG 106 Cb 0.04 0.48 -0.01 0.00 0.52 0.00 0.00 34.95 35.98 1yx0 s ARG 106 CO 0.35 -0.43 -0.21 -0.51 0.02 0.00 0.00 175.30 174.53 1yx0 s LEU 107 N -2.29 2.32 0.37 2.53 1.43 -0.43 -3.98 118.68 118.63 1yx0 s LEU 107 Ca 0.00 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1yx0 s LEU 107 Cb -0.01 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.74 1yx0 s LEU 107 CO -0.07 0.23 0.45 -0.44 0.23 0.00 0.00 176.35 176.75 1yx0 s SER 108 N -0.07 5.66 0.13 2.29 0.01 -0.62 -1.22 113.70 119.89 1yx0 s SER 108 Ca -0.05 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 1yx0 s SER 108 Cb -0.14 -0.96 -0.00 0.00 0.21 0.00 0.00 66.02 65.12 1yx0 s SER 108 CO 0.04 -0.52 0.25 -1.48 0.41 0.00 0.00 173.24 171.94 1yx0 s LEU 109 N -4.18 1.13 -0.45 2.44 0.05 -1.26 -3.45 118.68 112.97 1yx0 s LEU 109 Ca 0.47 -0.77 -0.11 0.00 0.05 0.00 0.00 54.13 53.77 1yx0 s LEU 109 Cb -0.08 1.14 0.09 0.00 -2.05 0.00 0.00 46.19 45.29 1yx0 s LEU 109 CO 0.30 -0.83 0.32 -1.61 -0.55 0.00 0.00 176.35 173.98 1yx0 s GLU 110 N -3.92 2.68 -0.03 1.48 2.02 -1.23 -4.57 118.70 115.13 1yx0 s GLU 110 Ca 0.12 -1.50 -0.20 0.00 0.02 0.00 0.00 54.97 53.41 1yx0 s GLU 110 Cb 0.04 -3.91 0.04 0.00 0.10 0.00 0.00 34.13 30.40 1yx0 s GLU 110 CO -0.05 -1.03 0.42 -0.08 0.02 0.00 0.00 175.26 174.55 1yx0 s THR 111 N 1.47 0.04 0.00 3.63 -1.32 -1.26 -4.97 115.64 113.23 1yx0 s THR 111 Ca 0.04 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 1yx0 s THR 111 Cb -0.24 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1yx0 s THR 111 CO 0.03 -0.17 0.71 0.61 -2.21 0.00 0.00 174.62 173.58 1yx0 n GLY 112 N 1.23 0.34 1.66 6.08 0.00 -1.25 -4.54 105.19 108.72 1yx0 n GLY 112 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.32 1.61 7.64 -1.26 -4.26 113.62 113.03 1yx0 n SER 113 Ca -0.18 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.12 1yx0 n SER 113 Cb 0.56 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 1yx0 n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1yx0 n MET 114 N -2.00 0.00 -0.01 1.43 0.00 -1.26 -4.63 117.12 110.64 1yx0 n MET 114 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 1yx0 n MET 114 Cb 0.00 -1.42 -0.04 0.00 0.00 0.00 0.00 33.22 31.76 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 3.37 0.11 -0.10 -5.12 0.00 -1.97 0.30 119.26 115.84 1yx0 h ALA 115 Ca -0.46 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1yx0 h ALA 115 Cb 1.33 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1yx0 h ALA 115 CO 0.70 -0.46 0.43 0.77 0.00 0.00 0.00 179.25 180.69 1yx0 h SER 116 N 0.03 0.00 0.00 0.00 0.02 -2.02 0.58 113.55 112.16 1yx0 h SER 116 Ca 0.06 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1yx0 h SER 116 Cb 0.08 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.53 1yx0 h SER 116 CO -0.11 0.00 -0.63 0.49 -1.14 0.00 0.00 176.83 175.44 1yx0 n PHE 117 N -3.03 0.00 0.01 3.45 0.99 0.31 -4.79 117.46 114.41 1yx0 n PHE 117 Ca 0.01 -1.26 -0.13 0.00 -0.00 0.00 0.00 57.45 56.07 1yx0 n PHE 117 Cb 0.50 -0.23 -0.09 0.00 -1.00 0.00 0.00 39.48 38.66 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1yx0 h GLU 118 N 0.99 -0.04 0.00 -1.08 5.08 0.36 -3.09 114.58 116.80 1yx0 h GLU 118 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1yx0 h GLU 118 Cb 1.21 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1yx0 h GLU 118 CO 0.02 0.38 -0.03 -1.00 -1.00 0.00 0.00 179.01 177.39 1yx0 h PRO 119 N -0.47 0.00 -0.52 2.33 0.13 -1.87 -3.14 132.00 128.46 1yx0 h PRO 119 Ca -0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 1yx0 h PRO 119 Cb 0.44 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.54 1yx0 h PRO 119 CO 0.01 0.03 0.31 0.00 -0.23 0.00 0.00 178.00 178.11 1yx0 h ALA 120 N 1.97 0.66 -0.40 -0.56 0.00 -1.85 0.16 119.26 119.24 1yx0 h ALA 120 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1yx0 h ALA 120 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1yx0 h ALA 120 CO 0.00 0.02 -0.21 -0.09 0.00 0.00 0.00 179.25 178.98 1yx0 h ARG 121 N 0.62 0.80 -0.12 0.00 2.43 -1.49 -1.44 114.38 115.18 1yx0 h ARG 121 Ca 0.21 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1yx0 h ARG 121 Cb 0.01 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1yx0 h ARG 121 CO -0.09 0.94 -0.13 0.87 -1.51 0.00 0.00 179.97 180.05 1yx0 h LYS 122 N 0.70 0.19 0.00 0.20 1.57 -1.35 0.12 116.57 117.99 1yx0 h LYS 122 Ca 0.10 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1yx0 h LYS 122 Cb 0.73 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1yx0 h LYS 122 CO 0.06 0.33 -0.81 1.25 -0.57 0.00 0.00 179.45 179.70 1yx0 h LEU 123 N 0.18 0.03 0.00 2.94 5.85 -0.23 -2.67 115.31 121.42 1yx0 h LEU 123 Ca 0.04 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1yx0 h LEU 123 Cb 0.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1yx0 h LEU 123 CO 0.02 0.83 -0.00 1.88 -0.34 0.00 0.00 178.44 180.83 1yx0 h TYR 124 N 0.01 -0.00 -0.01 1.25 0.99 -0.17 -1.86 116.97 117.19 1yx0 h TYR 124 Ca -0.01 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1yx0 h TYR 124 Cb 1.43 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 39.16 1yx0 h TYR 124 CO 0.00 0.64 0.00 0.93 -0.00 0.00 0.00 178.16 179.74 1yx0 h GLU 125 N -0.66 0.00 0.01 4.88 5.08 -0.89 0.15 114.58 123.15 1yx0 h GLU 125 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1yx0 h GLU 125 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1yx0 h GLU 125 CO 0.00 0.00 -0.95 0.77 -1.00 0.00 0.00 179.01 177.83 1yx0 h SER 126 N 0.00 0.07 1.51 1.42 0.02 -1.43 -3.14 113.55 112.01 1yx0 h SER 126 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1yx0 h SER 126 Cb 0.01 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1yx0 h SER 126 CO -0.00 0.97 -0.19 0.15 -1.14 0.00 0.00 176.83 176.63 1yx0 h PHE 127 N 0.02 0.00 0.00 3.45 3.57 -0.10 -3.48 116.94 120.41 1yx0 h PHE 127 Ca -0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1yx0 h PHE 127 Cb 1.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.39 1yx0 h PHE 127 CO 0.01 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.50 1yx0 n GLY 128 N 1.23 0.85 2.97 2.40 0.00 0.30 -5.08 105.19 107.86 1yx0 n GLY 128 Ca 0.04 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.15 0.14 1.61 0.40 -1.11 -4.42 117.98 114.45 1yx0 s PHE 129 Ca 0.00 0.40 0.10 0.00 -0.60 0.00 0.00 56.93 56.83 1yx0 s PHE 129 Cb 0.00 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.48 1yx0 s PHE 129 CO 0.00 -0.11 -0.24 -0.65 0.70 0.00 0.00 175.22 174.92 1yx0 s GLN 130 N 0.55 1.35 0.37 0.44 -1.52 -0.25 -4.58 119.66 116.02 1yx0 s GLN 130 Ca -0.04 -1.36 -0.27 0.00 -1.95 0.00 0.00 55.36 51.74 1yx0 s GLN 130 Cb -0.06 -1.69 -0.11 0.00 -0.22 0.00 0.00 33.01 30.93 1yx0 s GLN 130 CO -0.02 0.38 1.35 0.66 -0.25 0.00 0.00 175.29 177.41 1yx0 n TYR 131 N 0.71 2.48 -3.83 0.91 4.02 -1.26 0.11 117.16 120.30 1yx0 n TYR 131 Ca -0.16 0.51 -0.07 0.00 -0.01 0.00 0.00 57.90 58.16 1yx0 n TYR 131 Cb 0.54 -2.44 0.01 0.00 -0.02 0.00 0.00 39.34 37.43 1yx0 n TYR 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yx0 n GLU 133 N -0.55 1.90 -2.38 0.00 1.02 -1.26 -4.01 120.64 115.36 1yx0 n GLU 133 Ca -0.07 0.68 -0.43 0.00 -0.02 0.00 0.00 57.16 57.32 1yx0 n GLU 133 Cb 0.60 -2.34 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 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 -2.13 3.88 -0.11 3.49 0.04 -1.26 -4.75 135.00 134.16 1yx0 s PRO 134 Ca 0.60 1.28 0.08 0.00 0.04 0.00 0.00 61.00 63.00 1yx0 s PRO 134 Cb -0.52 -3.91 -0.24 0.00 0.04 0.00 0.00 34.50 29.87 1yx0 s PRO 134 CO 0.59 -1.17 0.40 1.19 0.04 0.00 0.00 177.00 178.05 1yx0 n PHE 135 N 7.81 0.79 0.00 0.56 3.72 -1.26 -4.66 117.46 124.42 1yx0 n PHE 135 Ca 0.15 0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 1yx0 n PHE 135 Cb 0.46 -1.13 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yx0 n ALA 136 N -2.76 0.00 0.20 4.37 0.00 -1.26 -4.94 120.51 116.11 1yx0 n ALA 136 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1yx0 n ALA 136 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 0.00 -2.95 -4.15 0.00 2.03 -1.26 -5.13 116.55 105.09 1yx0 n ASP 137 Ca 0.00 0.74 -0.35 0.00 0.52 0.00 0.00 54.79 55.70 1yx0 n ASP 137 Cb 0.00 2.82 0.07 0.00 -0.72 0.00 0.00 41.12 43.29 1yx0 n ASP 137 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yx0 n TYR 138 N -3.37 -3.92 -3.21 -0.67 4.11 -1.26 -5.01 117.16 103.82 1yx0 n TYR 138 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 1yx0 n TYR 138 Cb 0.00 -1.56 0.00 0.00 -0.00 0.00 0.00 39.34 37.78 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1yx0 n GLY 139 N 2.81 6.44 3.53 -7.48 0.00 -1.26 -4.76 105.19 104.46 1yx0 n GLY 139 Ca 0.01 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 1yx0 n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yx0 n GLU 140 N 0.00 -1.15 0.00 1.61 1.02 -1.26 -4.83 120.64 116.03 1yx0 n GLU 140 Ca 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1yx0 n GLU 140 Cb 0.00 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 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 -3.71 0.00 0.22 1.62 10.43 -1.26 -4.93 116.55 118.92 1yx0 n ASP 141 Ca 0.07 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.54 1yx0 n ASP 141 Cb 0.54 0.00 0.36 0.00 1.84 0.00 0.00 41.12 43.86 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 -2.05 -0.24 0.13 -2.03 -3.30 132.00 124.51 1yx0 h PRO 142 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1yx0 h PRO 142 Cb 0.00 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 30.72 1yx0 h PRO 142 CO 0.00 0.16 -0.95 0.09 -0.23 0.00 0.00 178.00 177.07 1yx0 n ASN 143 N -3.22 2.50 -3.78 1.44 3.02 -1.26 -5.05 115.26 108.91 1yx0 n ASN 143 Ca 0.02 -3.30 -0.13 0.00 -0.03 0.00 0.00 54.58 51.14 1yx0 n ASN 143 Cb 0.48 -0.59 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 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 -2.93 -0.15 0.07 6.41 0.15 -1.24 -4.76 113.70 111.25 1yx0 s SER 144 Ca 0.43 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.43 1yx0 s SER 144 Cb 0.33 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 1yx0 s SER 144 CO -0.10 -0.10 -0.09 0.68 1.20 0.00 0.00 173.24 174.83 1yx0 s VAL 145 N 0.63 0.72 -0.08 4.45 -7.23 -1.26 -4.70 120.40 112.93 1yx0 s VAL 145 Ca -0.05 -1.45 -0.27 0.00 -1.81 0.00 0.00 61.98 58.41 1yx0 s VAL 145 Cb -0.06 -1.10 0.06 0.00 0.56 0.00 0.00 36.38 35.84 1yx0 s VAL 145 CO -0.03 -0.54 0.61 0.72 -0.31 0.00 0.00 175.10 175.55 1yx0 s PHE 146 N -2.20 -0.59 0.15 2.82 -0.71 -1.26 -3.77 117.98 112.42 1yx0 s PHE 146 Ca -0.00 1.09 -0.21 0.00 -1.04 0.00 0.00 56.93 56.76 1yx0 s PHE 146 Cb -0.04 0.33 0.06 0.00 -1.21 0.00 0.00 43.02 42.16 1yx0 s PHE 146 CO -0.01 -0.53 0.55 0.00 -1.34 0.00 0.00 175.22 173.90 1yx0 s MET 147 N -0.95 1.23 0.07 1.99 0.23 -1.26 -2.41 119.30 118.20 1yx0 s MET 147 Ca -0.10 -0.53 0.02 0.00 -1.03 0.00 0.00 55.69 54.05 1yx0 s MET 147 Cb -0.02 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.81 1yx0 s MET 147 CO 0.07 -0.53 -0.07 -0.08 -2.03 0.00 0.00 175.02 172.39 1yx0 s THR 148 N -3.76 0.58 -0.17 3.16 -1.32 0.30 -4.23 115.64 110.19 1yx0 s THR 148 Ca 0.02 -1.51 -0.07 0.00 -1.21 0.00 0.00 61.69 58.91 1yx0 s THR 148 Cb -0.00 -1.15 -0.04 0.00 -1.51 0.00 0.00 72.50 69.80 1yx0 s THR 148 CO -0.13 -0.65 0.08 -0.75 -2.21 0.00 0.00 174.62 170.97 1yx0 s LYS 149 N -2.75 3.88 -0.31 7.08 2.20 -0.36 -1.09 119.74 128.40 1yx0 s LYS 149 Ca 0.01 -0.30 -0.15 0.00 -0.36 0.00 0.00 55.97 55.17 1yx0 s LYS 149 Cb -0.02 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1yx0 s LYS 149 CO -0.03 0.38 0.36 0.21 -0.36 0.00 0.00 175.35 175.92 1yx0 s LYS 150 N 0.09 3.80 0.00 4.03 2.20 -1.26 -1.31 119.74 127.29 1yx0 s LYS 150 Ca 0.06 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1yx0 s LYS 150 Cb -0.12 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1yx0 s LYS 150 CO 0.00 -0.39 0.26 1.28 -0.36 0.00 0.00 175.35 176.14