#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xt0 s ALA 0 N 0.00 -0.62 0.41 4.61 0.00 -1.26 -5.06 121.76 119.84 1xt0 s ALA 0 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 1xt0 s ALA 0 Cb 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1xt0 s ALA 0 CO 0.00 -0.43 0.67 -1.12 0.00 0.00 0.00 175.76 174.88 1xt0 s SER 1 N -2.16 6.29 0.35 0.00 0.01 -1.26 -5.03 113.70 111.90 1xt0 s SER 1 Ca -0.04 0.71 -0.28 0.00 1.31 0.00 0.00 55.95 57.65 1xt0 s SER 1 Cb -0.00 -2.15 -0.11 0.00 0.21 0.00 0.00 66.02 63.96 1xt0 s SER 1 CO -0.04 -0.43 1.46 1.57 0.41 0.00 0.00 173.24 176.21 1xt0 n HIS 2 N -1.97 2.80 -0.35 2.43 -0.00 -1.26 -4.74 115.22 112.12 1xt0 n HIS 2 Ca -0.02 0.44 0.29 0.00 0.46 0.00 0.00 57.72 58.89 1xt0 n HIS 2 Cb 0.55 -2.52 0.60 0.00 -0.12 0.00 0.00 29.99 28.51 1xt0 n HIS 2 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1xt0 h PRO 3 N 3.19 0.22 -0.18 1.57 0.11 -1.99 0.22 132.00 135.14 1xt0 h PRO 3 Ca -0.49 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1xt0 h PRO 3 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xt0 h PRO 3 CO 0.66 0.15 -0.57 0.93 -0.21 0.00 0.00 178.00 178.96 1xt0 h GLU 4 N 0.23 0.56 -0.44 1.05 4.39 -1.99 -1.67 114.58 116.71 1xt0 h GLU 4 Ca 0.64 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.88 1xt0 h GLU 4 Cb 1.94 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1xt0 h GLU 4 CO -0.24 0.98 -0.10 0.82 -1.16 0.00 0.00 179.01 179.30 1xt0 h ILE 5 N 0.43 1.27 -1.00 3.13 1.08 -1.35 -2.32 117.51 118.74 1xt0 h ILE 5 Ca 0.00 -1.21 0.03 0.00 -0.39 0.00 0.00 64.86 63.30 1xt0 h ILE 5 Cb 1.12 1.15 -0.06 0.00 -3.07 0.00 0.00 36.82 35.96 1xt0 h ILE 5 CO 0.11 0.41 0.66 -0.08 -0.69 0.00 0.00 178.15 178.56 1xt0 h GLU 6 N 0.67 1.25 0.00 2.37 4.81 -1.12 -0.56 114.58 122.00 1xt0 h GLU 6 Ca 0.11 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1xt0 h GLU 6 Cb 0.63 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1xt0 h GLU 6 CO 0.04 0.83 -0.54 0.87 -0.73 0.00 0.00 179.01 179.48 1xt0 h LYS 7 N 1.29 0.00 -0.67 1.92 1.57 -1.06 -3.11 116.57 116.51 1xt0 h LYS 7 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1xt0 h LYS 7 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1xt0 h LYS 7 CO -0.12 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 1xt0 n ALA 8 N -2.42 2.56 -0.30 3.86 0.00 -0.88 -4.66 120.51 118.67 1xt0 n ALA 8 Ca -0.01 -1.39 0.10 0.00 0.00 0.00 0.00 53.44 52.14 1xt0 n ALA 8 Cb 0.56 -0.90 0.26 0.00 0.00 0.00 0.00 19.45 19.37 1xt0 n ALA 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1xt0 h GLN 9 N 4.01 0.52 -0.35 0.00 3.07 -1.05 -1.89 115.11 119.43 1xt0 h GLN 9 Ca 0.00 -0.03 0.02 0.00 0.09 0.00 0.00 58.65 58.73 1xt0 h GLN 9 Cb 1.11 -0.12 -0.02 0.00 0.08 0.00 0.00 27.48 28.52 1xt0 h GLN 9 CO 0.07 0.34 0.19 0.00 0.09 0.00 0.00 178.83 179.53 1xt0 h ARG 10 N 0.53 0.39 -0.65 0.06 3.08 -1.86 0.95 114.38 116.89 1xt0 h ARG 10 Ca 0.51 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.45 1xt0 h ARG 10 Cb 0.83 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 1xt0 h ARG 10 CO -0.43 0.26 0.10 1.49 -1.07 0.00 0.00 179.97 180.31 1xt0 h GLU 11 N 0.40 1.08 -0.53 0.04 4.81 -1.77 -1.80 114.58 116.81 1xt0 h GLU 11 Ca 0.14 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1xt0 h GLU 11 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1xt0 h GLU 11 CO -0.07 1.00 0.13 0.82 -0.73 0.00 0.00 179.01 180.15 1xt0 h ILE 12 N 1.00 1.24 0.08 2.32 2.04 -0.98 -1.51 117.51 121.69 1xt0 h ILE 12 Ca 0.20 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1xt0 h ILE 12 Cb 0.45 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1xt0 h ILE 12 CO 0.01 0.32 -0.04 0.40 0.00 0.00 0.00 178.15 178.84 1xt0 h ILE 13 N 0.74 1.06 -0.90 -0.67 2.04 -0.65 0.98 117.51 120.12 1xt0 h ILE 13 Ca 0.17 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1xt0 h ILE 13 Cb 0.34 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1xt0 h ILE 13 CO 0.00 0.12 0.59 -0.08 0.00 0.00 0.00 178.15 178.78 1xt0 h GLU 14 N -0.33 1.13 -0.19 2.37 4.81 -1.32 -0.75 114.58 120.30 1xt0 h GLU 14 Ca -0.01 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1xt0 h GLU 14 Cb 0.28 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xt0 h GLU 14 CO 0.02 0.75 -0.03 0.00 -0.73 0.00 0.00 179.01 179.01 1xt0 h ALA 15 N 1.35 0.26 -0.14 2.92 0.00 -1.19 -2.54 119.26 119.91 1xt0 h ALA 15 Ca 0.34 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xt0 h ALA 15 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xt0 h ALA 15 CO -0.10 0.02 0.03 0.35 0.00 0.00 0.00 179.25 179.55 1xt0 h PHE 16 N 0.08 0.06 0.00 0.00 3.57 -0.47 0.15 116.94 120.33 1xt0 h PHE 16 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1xt0 h PHE 16 Cb 0.47 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1xt0 h PHE 16 CO 0.05 0.03 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.18 1xt0 h ASN 17 N 0.10 0.00 0.22 0.41 2.35 -1.14 -0.99 115.58 116.53 1xt0 h ASN 17 Ca 0.06 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.47 1xt0 h ASN 17 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1xt0 h ASN 17 CO -0.08 0.06 -1.90 0.00 -1.65 0.00 0.00 177.43 173.86 1xt0 h ALA 18 N 1.94 0.47 -1.49 -0.83 0.00 -1.02 -3.46 119.26 114.88 1xt0 h ALA 18 Ca -0.00 -1.37 -0.11 0.00 0.00 0.00 0.00 54.91 53.43 1xt0 h ALA 18 Cb 0.13 0.62 -0.26 0.00 0.00 0.00 0.00 17.79 18.29 1xt0 h ALA 18 CO 0.01 1.34 -0.47 0.21 0.00 0.00 0.00 179.25 180.34 1xt0 s LYS 19 N -2.57 0.46 0.22 0.00 2.20 0.49 -5.07 119.74 115.46 1xt0 s LYS 19 Ca -0.18 0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.64 1xt0 s LYS 19 Cb 0.07 -0.11 0.26 0.00 -1.51 0.00 0.00 37.83 36.53 1xt0 s LYS 19 CO 0.79 -0.96 1.59 -1.35 -0.36 0.00 0.00 175.35 175.06 1xt0 h PRO 20 N 8.11 -0.05 -0.10 4.03 0.11 -1.35 -1.10 132.00 141.66 1xt0 h PRO 20 Ca -0.09 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.05 1xt0 h PRO 20 Cb 1.15 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xt0 h PRO 20 CO 0.23 -0.03 0.07 0.87 -0.21 0.00 0.00 178.00 178.93 1xt0 h LYS 21 N -0.05 0.01 -0.15 1.05 1.57 -1.90 -0.87 116.57 116.22 1xt0 h LYS 21 Ca 0.33 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.03 1xt0 h LYS 21 Cb 0.57 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1xt0 h LYS 21 CO -0.78 0.00 -0.22 -0.97 -0.57 0.00 0.00 179.45 176.91 1xt0 h ASN 22 N 0.01 0.46 -0.70 0.86 -0.00 -1.49 -0.44 115.58 114.27 1xt0 h ASN 22 Ca 0.04 -0.52 -0.04 0.00 -0.00 0.00 0.00 56.30 55.78 1xt0 h ASN 22 Cb 0.17 -0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.33 1xt0 h ASN 22 CO -0.00 0.89 0.29 1.23 -0.00 0.00 0.00 177.43 179.84 1xt0 h GLY 23 N 0.04 1.14 0.95 1.57 0.00 -1.19 -1.81 103.07 103.77 1xt0 h GLY 23 Ca 0.01 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1xt0 h GLY 23 CO 0.05 0.57 0.07 -2.22 0.00 0.00 0.00 176.54 175.01 1xt0 h ILE 24 N 1.04 1.24 -0.09 2.60 1.08 -1.07 -2.67 117.51 119.65 1xt0 h ILE 24 Ca 0.24 -0.87 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 1xt0 h ILE 24 Cb 0.19 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1xt0 h ILE 24 CO -0.02 0.30 -0.08 0.78 -0.69 0.00 0.00 178.15 178.44 1xt0 h ASN 25 N 0.55 0.11 -0.27 1.72 2.35 -0.74 -0.90 115.58 118.40 1xt0 h ASN 25 Ca 0.13 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1xt0 h ASN 25 Cb 0.37 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 1xt0 h ASN 25 CO 0.01 0.22 -0.15 0.11 -1.65 0.00 0.00 177.43 175.97 1xt0 h LYS 26 N 0.12 0.70 -0.27 0.81 1.57 -1.01 0.16 116.57 118.65 1xt0 h LYS 26 Ca 0.03 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 1xt0 h LYS 26 Cb 0.23 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xt0 h LYS 26 CO 0.01 0.82 -0.30 0.82 -0.57 0.00 0.00 179.45 180.23 1xt0 h ILE 27 N 0.63 1.30 -0.49 1.86 2.04 -1.00 -2.65 117.51 119.20 1xt0 h ILE 27 Ca 0.10 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 1xt0 h ILE 27 Cb 0.61 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1xt0 h ILE 27 CO 0.04 0.47 0.03 0.11 0.00 0.00 0.00 178.15 178.80 1xt0 h LYS 28 N 0.42 0.81 -0.50 2.37 1.57 -0.94 -1.01 116.57 119.29 1xt0 h LYS 28 Ca 0.04 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 1xt0 h LYS 28 Cb 0.87 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1xt0 h LYS 28 CO 0.07 0.79 -0.13 0.93 -0.57 0.00 0.00 179.45 180.54 1xt0 h GLU 29 N 0.76 0.98 -0.34 3.15 5.08 -0.63 -1.21 114.58 122.37 1xt0 h GLU 29 Ca 0.15 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 1xt0 h GLU 29 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1xt0 h GLU 29 CO 0.02 1.05 -0.36 0.82 -1.00 0.00 0.00 179.01 179.54 1xt0 h ILE 30 N 0.84 1.28 -0.75 3.13 2.04 -1.27 -2.49 117.51 120.29 1xt0 h ILE 30 Ca 0.13 -1.52 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 1xt0 h ILE 30 Cb 0.70 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1xt0 h ILE 30 CO 0.05 0.50 0.28 0.00 0.00 0.00 0.00 178.15 178.98 1xt0 h GLU 32 N 1.09 0.54 -0.93 0.00 4.81 -1.08 0.31 114.58 119.32 1xt0 h GLU 32 Ca 0.25 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1xt0 h GLU 32 Cb 0.23 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1xt0 h GLU 32 CO -0.02 0.48 0.57 0.37 -0.73 0.00 0.00 179.01 179.69 1xt0 h GLN 33 N 0.47 1.25 -0.62 1.92 4.15 -0.99 -2.73 115.11 118.55 1xt0 h GLN 33 Ca 0.13 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1xt0 h GLN 33 Cb 0.12 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1xt0 h GLN 33 CO -0.02 0.86 0.00 0.66 -1.93 0.00 0.00 178.83 178.40 1xt0 n TYR 34 N -4.39 1.59 -3.83 3.99 4.02 -0.47 -4.97 117.16 113.10 1xt0 n TYR 34 Ca 0.10 -0.64 -0.24 0.00 -0.01 0.00 0.00 57.90 57.11 1xt0 n TYR 34 Cb 0.05 -0.30 0.01 0.00 -0.02 0.00 0.00 39.34 39.08 1xt0 n TYR 34 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1xt0 n LYS 35 N 0.98 -4.42 -4.43 -0.72 5.02 -0.09 -5.01 118.16 109.49 1xt0 n LYS 35 Ca 0.26 0.54 -0.25 0.00 -2.02 0.00 0.00 58.31 56.84 1xt0 n LYS 35 Cb 0.95 -5.01 -0.11 0.00 -0.02 0.00 0.00 35.03 30.84 1xt0 n LYS 35 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1xt0 s ILE 36 N -3.70 2.31 -0.23 -0.18 -4.36 -0.14 -5.03 121.20 109.87 1xt0 s ILE 36 Ca 0.12 -2.18 -0.29 0.00 -0.26 0.00 0.00 60.65 58.04 1xt0 s ILE 36 Cb -0.06 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.47 1xt0 s ILE 36 CO 0.84 -0.28 1.64 -0.55 0.24 0.00 0.00 174.94 176.84 1xt0 s SER 37 N -3.04 6.33 0.29 4.36 0.15 -1.26 -4.53 113.70 116.01 1xt0 s SER 37 Ca 0.24 1.61 0.04 0.00 0.70 0.00 0.00 55.95 58.54 1xt0 s SER 37 Cb -0.06 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.16 1xt0 s SER 37 CO 0.11 -1.30 1.72 1.55 1.20 0.00 0.00 173.24 176.53 1xt0 h PRO 38 N 10.94 0.39 -0.07 5.44 0.13 -1.93 -2.81 132.00 144.09 1xt0 h PRO 38 Ca -0.34 -0.16 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1xt0 h PRO 38 Cb 1.16 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 1xt0 h PRO 38 CO 1.00 0.65 -0.32 -0.91 -0.23 0.00 0.00 178.00 178.20 1xt0 h ASN 39 N 0.34 -0.98 -0.46 1.44 -0.26 -1.94 0.53 115.58 114.26 1xt0 h ASN 39 Ca 0.05 0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.85 1xt0 h ASN 39 Cb 0.70 0.41 -0.02 0.00 -1.06 0.00 0.00 38.32 38.35 1xt0 h ASN 39 CO 0.05 -0.37 0.02 -0.33 -1.06 0.00 0.00 177.43 175.74 1xt0 h GLU 40 N -0.44 0.86 -0.39 0.81 3.07 -1.89 -2.06 114.58 114.54 1xt0 h GLU 40 Ca 0.08 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 1xt0 h GLU 40 Cb 0.55 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1xt0 h GLU 40 CO -0.31 0.84 0.15 1.49 -1.40 0.00 0.00 179.01 179.78 1xt0 h GLU 41 N 0.80 0.59 -0.59 2.33 4.57 -1.00 0.12 114.58 121.39 1xt0 h GLU 41 Ca 0.16 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 1xt0 h GLU 41 Cb 0.45 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 1xt0 h GLU 41 CO 0.02 0.56 0.20 0.82 -1.18 0.00 0.00 179.01 179.43 1xt0 h ILE 42 N 0.48 1.24 -0.70 2.32 2.04 0.10 -1.00 117.51 121.99 1xt0 h ILE 42 Ca 0.13 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1xt0 h ILE 42 Cb 0.20 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1xt0 h ILE 42 CO -0.01 0.30 0.37 0.00 0.00 0.00 0.00 178.15 178.81 1xt0 h ALA 43 N 1.06 0.90 -0.61 1.87 0.00 -1.05 -1.59 119.26 119.84 1xt0 h ALA 43 Ca 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1xt0 h ALA 43 Cb 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xt0 h ALA 43 CO -0.01 0.43 0.10 1.49 0.00 0.00 0.00 179.25 181.26 1xt0 h GLU 44 N 0.97 1.01 -0.48 0.00 4.57 -0.76 -2.33 114.58 117.56 1xt0 h GLU 44 Ca 0.25 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xt0 h GLU 44 Cb 0.06 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1xt0 h GLU 44 CO -0.04 0.95 0.31 0.35 -1.18 0.00 0.00 179.01 179.40 1xt0 h PHE 45 N 0.92 0.62 -0.91 0.92 3.57 -0.74 0.12 116.94 121.44 1xt0 h PHE 45 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1xt0 h PHE 45 Cb 0.42 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1xt0 h PHE 45 CO 0.03 0.40 0.58 0.74 -2.23 0.00 0.00 178.31 177.84 1xt0 h PHE 46 N 0.65 1.09 -0.17 0.41 0.05 -1.02 0.18 116.94 118.14 1xt0 h PHE 46 Ca 0.18 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.91 1xt0 h PHE 46 Cb -0.06 -0.36 -0.00 0.00 2.00 0.00 0.00 35.95 37.53 1xt0 h PHE 46 CO -0.04 0.61 -0.22 0.45 -0.18 0.00 0.00 178.31 178.94 1xt0 h HIS 47 N 1.12 0.54 -0.21 -0.55 3.86 -0.88 -2.96 115.15 116.07 1xt0 h HIS 47 Ca 0.37 -0.18 -0.19 0.00 -1.16 0.00 0.00 60.37 59.21 1xt0 h HIS 47 Cb 0.04 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1xt0 h HIS 47 CO -0.02 0.85 -0.63 1.96 0.86 0.00 0.00 177.93 180.95 1xt0 h GLN 48 N 0.08 0.73 -0.59 2.45 1.08 -0.41 -3.28 115.11 115.17 1xt0 h GLN 48 Ca 0.02 -0.51 -0.17 0.00 -1.45 0.00 0.00 58.65 56.54 1xt0 h GLN 48 Cb 0.78 0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.19 1xt0 h GLN 48 CO 0.05 1.13 0.17 1.04 -0.95 0.00 0.00 178.83 180.27 1xt0 n GLN 49 N -3.96 3.28 -0.25 1.46 1.13 0.61 -4.67 117.38 114.98 1xt0 n GLN 49 Ca -0.05 -3.06 0.04 0.00 -1.94 0.00 0.00 57.00 51.99 1xt0 n GLN 49 Cb 0.66 -2.09 0.17 0.00 0.11 0.00 0.00 30.24 29.10 1xt0 n GLN 49 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1xt0 h ARG 50 N 2.24 0.50 0.00 -1.09 2.43 -1.58 -1.07 114.38 115.80 1xt0 h ARG 50 Ca 0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1xt0 h ARG 50 Cb 2.07 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1xt0 h ARG 50 CO 0.59 0.33 0.00 0.36 -1.51 0.00 0.00 179.97 179.74 1xt0 n LYS 51 N -4.94 0.07 0.00 0.20 2.85 -1.26 -2.69 118.16 112.39 1xt0 n LYS 51 Ca 0.13 0.39 0.05 0.00 -1.05 0.00 0.00 58.31 57.83 1xt0 n LYS 51 Cb 0.37 -1.66 0.01 0.00 -0.65 0.00 0.00 35.03 33.10 1xt0 n LYS 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xt0 n ASN 52 N -1.79 1.32 -4.96 -5.58 5.03 -0.44 -5.05 115.26 103.79 1xt0 n ASN 52 Ca 0.02 -1.16 -0.20 0.00 0.87 0.00 0.00 54.58 54.11 1xt0 n ASN 52 Cb 0.14 0.37 -0.01 0.00 -1.02 0.00 0.00 39.78 39.26 1xt0 n ASN 52 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xt0 s LEU 53 N -1.42 3.92 -0.86 3.41 1.43 -0.99 -4.98 118.68 119.18 1xt0 s LEU 53 Ca 0.09 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.72 1xt0 s LEU 53 Cb 0.08 -2.64 0.06 0.00 0.03 0.00 0.00 46.19 43.71 1xt0 s LEU 53 CO 0.21 -0.39 1.27 -0.62 0.23 0.00 0.00 176.35 177.06 1xt0 s ASP 54 N -4.12 6.36 0.44 2.29 -1.08 -1.26 -4.87 116.67 114.43 1xt0 s ASP 54 Ca 0.43 -1.15 0.20 0.00 -0.52 0.00 0.00 52.55 51.51 1xt0 s ASP 54 Cb -0.09 -2.52 1.16 0.00 -1.46 0.00 0.00 42.92 40.01 1xt0 s ASP 54 CO 0.30 -1.54 1.87 -0.07 0.52 0.00 0.00 175.17 176.25 1xt0 h LEU 55 N 12.29 0.33 -0.48 -1.34 3.38 -1.96 0.60 115.31 128.13 1xt0 h LEU 55 Ca -0.04 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1xt0 h LEU 55 Cb 1.03 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1xt0 h LEU 55 CO 1.29 0.13 -0.10 -0.33 0.09 0.00 0.00 178.44 179.53 1xt0 h GLU 56 N 0.33 0.91 -0.71 1.13 5.08 -1.89 -1.18 114.58 118.24 1xt0 h GLU 56 Ca 0.45 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1xt0 h GLU 56 Cb 1.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1xt0 h GLU 56 CO -0.14 0.99 0.30 0.00 -1.00 0.00 0.00 179.01 179.16 1xt0 h ALA 57 N 0.89 1.19 0.13 3.43 0.00 -1.30 -0.67 119.26 122.93 1xt0 h ALA 57 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xt0 h ALA 57 Cb 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xt0 h ALA 57 CO 0.04 0.60 -0.06 0.28 0.00 0.00 0.00 179.25 180.11 1xt0 h VAL 58 N 1.02 1.00 -1.00 0.00 2.07 -0.98 -0.41 116.25 117.96 1xt0 h VAL 58 Ca 0.24 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.32 1xt0 h VAL 58 Cb 0.17 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.20 1xt0 h VAL 58 CO -0.02 0.13 0.63 1.23 0.02 0.00 0.00 177.57 179.55 1xt0 h GLY 59 N -0.43 1.59 0.88 2.17 0.00 -0.99 0.76 103.07 107.05 1xt0 h GLY 59 Ca -0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 1xt0 h GLY 59 CO 0.03 0.21 -0.02 -1.80 0.00 0.00 0.00 176.54 174.97 1xt0 h ASP 60 N 1.04 0.53 -0.53 0.19 3.58 -0.93 -1.41 116.42 118.89 1xt0 h ASP 60 Ca 0.47 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1xt0 h ASP 60 Cb 0.38 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1xt0 h ASP 60 CO -0.24 0.73 0.19 0.22 -2.88 0.00 0.00 179.24 177.26 1xt0 h TYR 61 N 0.33 0.84 0.00 0.28 3.20 -0.29 -2.84 116.97 118.48 1xt0 h TYR 61 Ca 0.08 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1xt0 h TYR 61 Cb 0.46 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1xt0 h TYR 61 CO 0.04 0.71 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.84 1xt0 h LEU 62 N 0.73 0.00 -1.70 2.82 3.38 -0.80 -2.99 115.31 116.74 1xt0 h LEU 62 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xt0 h LEU 62 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xt0 h LEU 62 CO -0.01 0.35 0.00 -1.54 0.09 0.00 0.00 178.44 177.33 1xt0 n SER 63 N -3.60 2.53 -4.81 -0.43 3.41 -0.54 -4.73 113.62 105.45 1xt0 n SER 63 Ca -0.01 -1.89 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 1xt0 n SER 63 Cb 0.47 -0.22 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 1xt0 n SER 63 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xt0 s SER 64 N -1.38 6.40 0.37 4.04 0.01 -1.09 -4.58 113.70 117.47 1xt0 s SER 64 Ca 0.35 1.81 0.26 0.00 1.31 0.00 0.00 55.95 59.67 1xt0 s SER 64 Cb 0.19 -2.54 0.79 0.00 0.21 0.00 0.00 66.02 64.67 1xt0 s SER 64 CO 0.27 -0.74 1.75 1.55 0.41 0.00 0.00 173.24 176.48 1xt0 h PRO 65 N 1.32 0.00 -6.77 12.44 0.13 -1.92 -3.38 132.00 133.83 1xt0 h PRO 65 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 1xt0 h PRO 65 Cb 1.21 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.48 1xt0 h PRO 65 CO 0.59 0.00 0.22 0.39 -0.23 0.00 0.00 178.00 178.98 1xt0 n GLU 66 N -2.71 1.29 -0.09 0.86 -0.58 -1.26 -4.71 120.64 113.44 1xt0 n GLU 66 Ca 0.03 0.47 -0.06 0.00 -0.42 0.00 0.00 57.16 57.18 1xt0 n GLU 66 Cb 0.41 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 1xt0 n GLU 66 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xt0 h ALA 67 N 1.21 0.04 -0.32 0.62 0.00 -1.99 0.61 119.26 119.43 1xt0 h ALA 67 Ca -0.47 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1xt0 h ALA 67 Cb 1.34 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1xt0 h ALA 67 CO 0.55 -0.58 0.14 1.49 0.00 0.00 0.00 179.25 180.84 1xt0 h GLU 68 N -0.15 0.29 -0.35 0.00 4.81 -1.97 -0.65 114.58 116.55 1xt0 h GLU 68 Ca 0.17 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1xt0 h GLU 68 Cb 0.42 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1xt0 h GLU 68 CO -0.43 0.19 0.18 -0.91 -0.73 0.00 0.00 179.01 177.31 1xt0 h ASN 69 N 0.30 0.27 -0.80 1.04 4.21 -1.72 -0.13 115.58 118.74 1xt0 h ASN 69 Ca 0.14 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1xt0 h ASN 69 Cb 0.08 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 37.20 1xt0 h ASN 69 CO -0.12 0.20 0.47 1.56 -1.29 0.00 0.00 177.43 178.25 1xt0 h GLN 70 N 0.37 1.11 -0.26 0.81 1.08 -0.54 0.11 115.11 117.79 1xt0 h GLN 70 Ca 0.15 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 1xt0 h GLN 70 Cb 0.05 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1xt0 h GLN 70 CO -0.10 0.79 -0.50 0.37 -0.95 0.00 0.00 178.83 178.44 1xt0 h GLN 71 N 1.12 0.72 -0.53 1.46 5.75 -0.66 -1.33 115.11 121.65 1xt0 h GLN 71 Ca 0.29 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1xt0 h GLN 71 Cb -0.02 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 1xt0 h GLN 71 CO -0.05 1.05 0.20 0.28 -2.65 0.00 0.00 178.83 177.66 1xt0 h VAL 72 N 0.57 1.22 -0.45 2.39 2.07 -0.42 -1.70 116.25 119.94 1xt0 h VAL 72 Ca 0.02 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1xt0 h VAL 72 Cb 1.07 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1xt0 h VAL 72 CO 0.10 0.27 0.28 0.25 0.02 0.00 0.00 177.57 178.50 1xt0 h LEU 73 N 0.72 0.52 -0.40 2.57 5.85 -0.85 0.29 115.31 124.01 1xt0 h LEU 73 Ca 0.18 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1xt0 h LEU 73 Cb 0.22 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1xt0 h LEU 73 CO -0.01 0.40 0.17 0.50 -0.34 0.00 0.00 178.44 179.16 1xt0 h LYS 74 N 0.60 0.35 -0.62 1.25 3.64 -0.99 -0.06 116.57 120.73 1xt0 h LYS 74 Ca 0.16 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1xt0 h LYS 74 Cb -0.04 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1xt0 h LYS 74 CO -0.03 0.23 0.13 0.00 -2.27 0.00 0.00 179.45 177.51 1xt0 h ALA 75 N 1.23 0.82 -0.72 5.00 0.00 -0.89 -1.51 119.26 123.19 1xt0 h ALA 75 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xt0 h ALA 75 Cb 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1xt0 h ALA 75 CO -0.15 0.55 0.40 0.35 0.00 0.00 0.00 179.25 180.40 1xt0 h PHE 76 N 0.92 0.98 0.11 0.00 3.04 0.25 -2.59 116.94 119.65 1xt0 h PHE 76 Ca 0.19 -0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.85 1xt0 h PHE 76 Cb 0.39 -0.32 0.01 0.00 2.56 0.00 0.00 35.95 38.59 1xt0 h PHE 76 CO 0.03 0.69 -1.19 1.15 -2.02 0.00 0.00 178.31 176.97 1xt0 h THR 77 N 0.99 1.45 0.00 4.41 2.02 -0.95 -3.20 112.91 117.62 1xt0 h THR 77 Ca 0.25 -2.86 -0.00 0.00 0.77 0.00 0.00 66.41 64.57 1xt0 h THR 77 Cb 0.03 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1xt0 h THR 77 CO -0.04 0.84 -0.01 0.77 0.37 0.00 0.00 175.52 177.45 1xt0 h SER 78 N 0.13 0.00 0.00 4.18 4.64 -1.19 -3.44 113.55 117.86 1xt0 h SER 78 Ca -0.13 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.90 1xt0 h SER 78 Cb 1.89 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.93 1xt0 h SER 78 CO 0.20 0.01 0.52 0.00 -0.87 0.00 0.00 176.83 176.69 1xt0 n GLN 79 N -3.11 2.30 -3.73 4.77 6.02 -0.98 -5.02 117.38 117.62 1xt0 n GLN 79 Ca -0.00 -1.23 -0.25 0.00 -0.01 0.00 0.00 57.00 55.51 1xt0 n GLN 79 Cb 0.25 -2.16 -0.17 0.00 1.02 0.00 0.00 30.24 29.18 1xt0 n GLN 79 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1xt0 s ASN 81 N 2.07 2.19 0.00 1.08 2.47 -1.26 -5.12 114.94 116.37 1xt0 s ASN 81 Ca 0.66 -0.44 0.09 0.00 0.42 0.00 0.00 52.86 53.59 1xt0 s ASN 81 Cb 0.28 -0.45 0.07 0.00 -1.45 0.00 0.00 41.25 39.70 1xt0 s ASN 81 CO -0.01 -0.26 0.78 0.49 -3.72 0.00 0.00 177.10 174.38 1xt0 n PHE 82 N 5.14 0.00 -3.49 0.43 3.72 -1.26 -4.94 117.46 117.06 1xt0 n PHE 82 Ca -0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.00 1xt0 n PHE 82 Cb 0.49 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 1xt0 n PHE 82 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xt0 s ASN 83 N -0.79 6.63 -1.09 4.37 3.04 -1.26 -4.33 114.94 121.51 1xt0 s ASN 83 Ca 0.11 0.85 -0.07 0.00 0.04 0.00 0.00 52.86 53.78 1xt0 s ASN 83 Cb 0.08 -2.20 -0.05 0.00 -1.54 0.00 0.00 41.25 37.54 1xt0 s ASN 83 CO 0.12 0.03 0.90 0.61 -3.04 0.00 0.00 177.10 175.72 1xt0 n GLY 84 N 0.25 -1.02 0.00 1.21 0.00 -1.26 -4.99 105.19 99.38 1xt0 n GLY 84 Ca -0.03 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1xt0 n GLY 84 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xt0 n GLN 85 N -3.51 0.00 -0.80 1.61 7.27 -1.26 -5.13 117.38 115.56 1xt0 n GLN 85 Ca -0.11 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.63 1xt0 n GLN 85 Cb 0.62 0.00 0.12 0.00 2.41 0.00 0.00 30.24 33.39 1xt0 n GLN 85 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1xt0 n SER 86 N 0.00 -2.19 -0.08 1.69 3.41 -1.26 -4.61 113.62 110.59 1xt0 n SER 86 Ca 0.00 0.33 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 1xt0 n SER 86 Cb 0.00 -1.20 -0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1xt0 n SER 86 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xt0 h PHE 87 N -1.55 -0.08 -0.47 7.33 3.57 -1.99 0.13 116.94 123.88 1xt0 h PHE 87 Ca -0.43 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 1xt0 h PHE 87 Cb 1.28 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1xt0 h PHE 87 CO 0.39 -0.08 0.28 0.28 -2.23 0.00 0.00 178.31 176.94 1xt0 h VAL 88 N 0.05 1.15 -0.79 1.41 2.07 -1.95 0.12 116.25 118.31 1xt0 h VAL 88 Ca 0.14 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1xt0 h VAL 88 Cb 0.20 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1xt0 h VAL 88 CO -0.27 0.15 0.39 -0.33 0.02 0.00 0.00 177.57 177.53 1xt0 h GLU 89 N 0.63 1.13 -0.25 1.57 5.08 -1.77 0.72 114.58 121.68 1xt0 h GLU 89 Ca 0.17 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1xt0 h GLU 89 Cb -0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1xt0 h GLU 89 CO -0.03 0.86 -0.01 0.78 -1.00 0.00 0.00 179.01 179.61 1xt0 h GLY 90 N 1.15 0.49 1.05 -3.84 0.00 -0.25 -1.23 103.07 100.44 1xt0 h GLY 90 Ca 0.27 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1xt0 h GLY 90 CO -0.04 0.34 0.14 -2.00 0.00 0.00 0.00 176.54 174.98 1xt0 h LEU 91 N 0.22 1.02 0.09 3.11 5.85 -0.69 -0.71 115.31 124.20 1xt0 h LEU 91 Ca 0.07 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1xt0 h LEU 91 Cb 0.43 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1xt0 h LEU 91 CO 0.01 1.00 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.90 1xt0 h ARG 92 N 0.99 -0.26 -0.14 1.25 2.43 -0.74 -1.11 114.38 116.79 1xt0 h ARG 92 Ca 0.20 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1xt0 h ARG 92 Cb 0.40 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1xt0 h ARG 92 CO 0.01 -0.17 0.06 1.15 -1.51 0.00 0.00 179.97 179.50 1xt0 h THR 93 N -0.27 0.98 0.00 0.20 2.02 -1.05 -1.21 112.91 113.58 1xt0 h THR 93 Ca 0.02 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.18 1xt0 h THR 93 Cb 0.28 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1xt0 h THR 93 CO -0.06 0.02 -0.27 0.15 0.37 0.00 0.00 175.52 175.73 1xt0 h PHE 94 N 0.13 -0.73 -0.84 3.16 3.04 -0.93 -2.30 116.94 118.48 1xt0 h PHE 94 Ca 0.06 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.07 1xt0 h PHE 94 Cb 0.03 0.32 -0.05 0.00 2.56 0.00 0.00 35.95 38.80 1xt0 h PHE 94 CO -0.10 -0.36 0.53 -0.07 -2.02 0.00 0.00 178.31 176.29 1xt0 h LEU 95 N -0.41 0.87 -2.17 0.59 3.38 -1.04 -1.69 115.31 114.84 1xt0 h LEU 95 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xt0 h LEU 95 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1xt0 h LEU 95 CO -0.23 0.59 0.00 0.11 0.09 0.00 0.00 178.44 179.00 1xt0 h LYS 96 N 1.02 0.00 -0.13 1.13 1.57 -0.87 -2.58 116.57 116.71 1xt0 h LYS 96 Ca 0.34 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.03 1xt0 h LYS 96 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1xt0 h LYS 96 CO -0.13 0.00 -0.33 1.15 -0.57 0.00 0.00 179.45 179.57 1xt0 h THR 97 N 0.00 1.27 -2.27 -0.16 2.02 -0.75 -3.46 112.91 109.57 1xt0 h THR 97 Ca 0.00 -1.32 -0.46 0.00 0.77 0.00 0.00 66.41 65.40 1xt0 h THR 97 Cb 0.20 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1xt0 h THR 97 CO 0.00 0.40 -0.30 -0.36 0.37 0.00 0.00 175.52 175.63 1xt0 s PHE 98 N -4.31 3.31 -0.87 3.16 0.40 -0.97 -5.02 117.98 113.68 1xt0 s PHE 98 Ca -0.05 0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.25 1xt0 s PHE 98 Cb 0.14 -1.89 0.22 0.00 0.51 0.00 0.00 43.02 42.00 1xt0 s PHE 98 CO 0.76 0.10 0.77 0.15 0.70 0.00 0.00 175.22 177.71 1xt0 s LYS 99 N -4.20 3.38 0.17 0.44 -0.14 -1.26 -4.56 119.74 113.56 1xt0 s LYS 99 Ca 0.41 -2.97 -0.33 0.00 -1.36 0.00 0.00 55.97 51.72 1xt0 s LYS 99 Cb -0.09 -4.12 -0.15 0.00 -1.68 0.00 0.00 37.83 31.79 1xt0 s LYS 99 CO 0.32 -1.24 1.28 1.28 -0.76 0.00 0.00 175.35 176.23 1xt0 n LEU 100 N 2.94 1.98 -4.78 3.17 4.77 0.62 -4.59 117.00 121.11 1xt0 n LEU 100 Ca 0.18 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.92 1xt0 n LEU 100 Cb 0.39 -1.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 1xt0 n LEU 100 CO 0.37 -1.01 0.73 -2.84 -1.33 0.00 0.00 177.39 173.32 1xt0 s PRO 101 N -0.09 4.17 -0.26 3.23 0.02 -1.26 -0.12 135.00 140.69 1xt0 s PRO 101 Ca 0.75 1.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.22 1xt0 s PRO 101 Cb -0.82 -2.54 -0.13 0.00 0.02 0.00 0.00 34.50 31.03 1xt0 s PRO 101 CO 0.49 -0.14 3.27 0.41 -0.33 0.00 0.00 177.00 180.70 1xt0 n GLY 102 N 0.32 3.59 2.73 0.52 0.00 -1.26 -4.67 105.19 106.42 1xt0 n GLY 102 Ca 0.05 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 1xt0 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xt0 s GLU 103 N 0.01 0.13 0.20 1.61 2.02 -1.26 -4.97 118.70 116.44 1xt0 s GLU 103 Ca 0.64 0.24 -0.11 0.00 0.02 0.00 0.00 54.97 55.76 1xt0 s GLU 103 Cb 0.33 -0.56 0.24 0.00 0.10 0.00 0.00 34.13 34.24 1xt0 s GLU 103 CO -0.09 -0.27 1.73 0.00 0.02 0.00 0.00 175.26 176.66 1xt0 h ALA 104 N 8.03 0.67 -0.91 5.21 0.00 -2.00 -0.93 119.26 129.34 1xt0 h ALA 104 Ca -0.24 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xt0 h ALA 104 Cb 1.12 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1xt0 h ALA 104 CO 0.28 -0.26 0.57 1.96 0.00 0.00 0.00 179.25 181.81 1xt0 h GLN 105 N 0.31 1.22 -0.15 0.00 4.20 -1.98 -0.36 115.11 118.35 1xt0 h GLN 105 Ca 0.28 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 1xt0 h GLN 105 Cb 0.36 -0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xt0 h GLN 105 CO -0.32 0.83 -0.06 0.87 -0.67 0.00 0.00 178.83 179.47 1xt0 h LYS 106 N 1.24 0.30 -1.01 1.46 1.57 -1.65 -2.10 116.57 116.38 1xt0 h LYS 106 Ca 0.33 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1xt0 h LYS 106 Cb -0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1xt0 h LYS 106 CO -0.07 0.62 0.67 0.82 -0.57 0.00 0.00 179.45 180.92 1xt0 h ILE 107 N -0.02 1.25 -0.74 1.86 2.04 -1.02 -2.33 117.51 118.54 1xt0 h ILE 107 Ca 0.03 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1xt0 h ILE 107 Cb 0.53 -0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 1xt0 h ILE 107 CO 0.02 0.25 0.43 -0.78 0.00 0.00 0.00 178.15 178.07 1xt0 h ASP 108 N 1.35 0.91 -0.41 1.72 3.58 -0.94 -0.58 116.42 122.04 1xt0 h ASP 108 Ca 0.38 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 1xt0 h ASP 108 Cb -0.13 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.66 1xt0 h ASP 108 CO -0.09 0.72 0.11 0.03 -2.88 0.00 0.00 179.24 177.13 1xt0 h ARG 109 N 1.02 0.73 -0.23 0.28 3.08 -0.87 0.74 114.38 119.13 1xt0 h ARG 109 Ca 0.26 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1xt0 h ARG 109 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1xt0 h ARG 109 CO -0.05 0.67 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.41 1xt0 h LEU 110 N 0.71 0.43 -1.06 3.04 3.38 -0.88 -1.50 115.31 119.43 1xt0 h LEU 110 Ca 0.16 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1xt0 h LEU 110 Cb 0.28 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1xt0 h LEU 110 CO -0.00 0.69 0.39 0.58 0.09 0.00 0.00 178.44 180.19 1xt0 h VAL 111 N 0.17 1.23 -0.66 1.22 2.07 -0.76 -1.31 116.25 118.20 1xt0 h VAL 111 Ca 0.06 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1xt0 h VAL 111 Cb 0.49 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1xt0 h VAL 111 CO 0.02 0.26 0.35 1.56 0.02 0.00 0.00 177.57 179.78 1xt0 h GLN 112 N 1.05 0.93 -0.61 1.57 4.20 -0.66 -0.64 115.11 120.95 1xt0 h GLN 112 Ca 0.26 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xt0 h GLN 112 Cb 0.06 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1xt0 h GLN 112 CO -0.04 0.71 0.39 1.03 -0.67 0.00 0.00 178.83 180.26 1xt0 h SER 113 N 0.90 0.71 -0.26 1.46 0.87 -0.48 -1.93 113.55 114.81 1xt0 h SER 113 Ca 0.23 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1xt0 h SER 113 Cb 0.07 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1xt0 h SER 113 CO -0.03 0.52 0.14 0.15 -0.53 0.00 0.00 176.83 177.08 1xt0 h PHE 114 N 0.82 0.36 -0.76 2.24 3.57 -0.82 -2.12 116.94 120.24 1xt0 h PHE 114 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1xt0 h PHE 114 Cb -0.08 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1xt0 h PHE 114 CO -0.03 0.31 0.50 0.66 -2.23 0.00 0.00 178.31 177.52 1xt0 h SER 115 N 0.31 0.82 -0.21 0.41 4.64 -0.82 0.28 113.55 118.97 1xt0 h SER 115 Ca 0.09 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1xt0 h SER 115 Cb 0.07 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1xt0 h SER 115 CO -0.01 0.57 0.01 1.23 -0.87 0.00 0.00 176.83 177.75 1xt0 h GLY 116 N 0.95 0.40 1.02 -0.77 0.00 -1.09 -2.13 103.07 101.44 1xt0 h GLY 116 Ca 0.29 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1xt0 h GLY 116 CO -0.08 0.26 -0.08 0.00 0.00 0.00 0.00 176.54 176.64 1xt0 h ALA 117 N 0.80 0.63 -0.55 3.60 0.00 -0.89 -2.33 119.26 120.52 1xt0 h ALA 117 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xt0 h ALA 117 Cb 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1xt0 h ALA 117 CO 0.01 0.50 0.29 -0.92 0.00 0.00 0.00 179.25 179.14 1xt0 h TYR 118 N 0.71 0.54 0.15 0.00 3.20 -0.40 -2.15 116.97 119.02 1xt0 h TYR 118 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1xt0 h TYR 118 Cb 0.62 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1xt0 h TYR 118 CO 0.05 0.28 -0.07 0.35 -1.64 0.00 0.00 178.16 177.12 1xt0 h PHE 119 N 0.57 -0.18 -0.80 -3.82 3.57 -1.26 -0.21 116.94 114.81 1xt0 h PHE 119 Ca 0.24 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.89 1xt0 h PHE 119 Cb 0.12 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 1xt0 h PHE 119 CO -0.09 -0.03 0.53 1.96 -2.23 0.00 0.00 178.31 178.45 1xt0 h GLN 120 N -0.29 0.42 0.00 1.11 1.08 -1.23 -0.53 115.11 115.66 1xt0 h GLN 120 Ca -0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1xt0 h GLN 120 Cb 0.23 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1xt0 h GLN 120 CO 0.03 0.28 -0.58 1.04 -0.95 0.00 0.00 178.83 178.65 1xt0 n GLN 121 N -4.49 0.03 -3.10 1.46 6.02 -0.83 -4.41 117.38 112.07 1xt0 n GLN 121 Ca 0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.99 1xt0 n GLN 121 Cb 0.56 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.30 1xt0 n GLN 121 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xt0 n ASN 122 N -1.56 0.48 0.00 1.08 3.02 -0.12 -4.65 115.26 113.52 1xt0 n ASN 122 Ca 0.05 -3.06 0.04 0.00 -0.03 0.00 0.00 54.58 51.57 1xt0 n ASN 122 Cb 0.35 -0.30 0.16 0.00 -0.61 0.00 0.00 39.78 39.37 1xt0 n ASN 122 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1xt0 n PRO 123 N 0.26 0.01 0.04 3.52 -0.04 -0.50 -1.64 135.00 136.65 1xt0 n PRO 123 Ca 0.21 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.15 1xt0 n PRO 123 Cb 0.68 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1xt0 n PRO 123 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xt0 n ASP 124 N -1.48 0.46 0.03 3.54 3.85 -1.26 -4.38 116.55 117.32 1xt0 n ASP 124 Ca 0.02 0.02 -0.20 0.00 -0.71 0.00 0.00 54.79 53.92 1xt0 n ASP 124 Cb 0.08 1.17 -0.14 0.00 -1.35 0.00 0.00 41.12 40.88 1xt0 n ASP 124 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1xt0 h VAL 125 N 0.00 0.83 -3.95 2.12 2.07 -1.69 -3.47 116.25 112.16 1xt0 h VAL 125 Ca 0.00 -2.51 -0.35 0.00 0.82 0.00 0.00 66.70 64.67 1xt0 h VAL 125 Cb 0.92 2.62 -0.21 0.00 -1.52 0.00 0.00 31.29 33.10 1xt0 h VAL 125 CO 0.00 0.84 -0.76 0.68 0.02 0.00 0.00 177.57 178.35 1xt0 s VAL 126 N -2.58 0.85 0.18 2.57 -7.23 -1.15 -4.97 120.40 108.08 1xt0 s VAL 126 Ca -0.16 -1.22 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 1xt0 s VAL 126 Cb 0.06 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1xt0 s VAL 126 CO 0.82 -0.30 1.54 -1.28 -0.31 0.00 0.00 175.10 175.56 1xt0 h SER 127 N 4.36 0.82 -2.33 4.85 0.87 -1.86 -3.41 113.55 116.85 1xt0 h SER 127 Ca -0.39 -0.36 -0.03 0.00 -1.23 0.00 0.00 61.79 59.78 1xt0 h SER 127 Cb 1.20 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1xt0 h SER 127 CO 0.41 1.10 0.15 -0.46 -0.53 0.00 0.00 176.83 177.50 1xt0 n ASN 128 N -4.05 -1.39 -0.24 6.23 2.04 -1.26 -5.04 115.26 111.55 1xt0 n ASN 128 Ca -0.02 -2.02 -0.06 0.00 -0.44 0.00 0.00 54.58 52.03 1xt0 n ASN 128 Cb 0.52 2.34 0.04 0.00 -2.53 0.00 0.00 39.78 40.16 1xt0 n ASN 128 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1xt0 h ALA 129 N 1.98 0.86 -0.93 -2.53 0.00 -1.91 -2.35 119.26 114.38 1xt0 h ALA 129 Ca -0.21 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1xt0 h ALA 129 Cb 0.78 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1xt0 h ALA 129 CO 0.26 0.43 0.60 -0.44 0.00 0.00 0.00 179.25 180.10 1xt0 h ASP 130 N 0.93 0.98 -0.55 0.00 5.19 -1.97 0.72 116.42 121.72 1xt0 h ASP 130 Ca 0.23 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.57 1xt0 h ASP 130 Cb 0.12 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1xt0 h ASP 130 CO -0.03 0.65 0.06 0.00 -3.12 0.00 0.00 179.24 176.80 1xt0 h ALA 131 N 1.40 0.73 -0.60 3.45 0.00 -1.71 -1.01 119.26 121.53 1xt0 h ALA 131 Ca 0.38 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xt0 h ALA 131 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xt0 h ALA 131 CO -0.14 0.50 0.11 0.00 0.00 0.00 0.00 179.25 179.72 1xt0 h ALA 132 N 0.98 1.08 -0.47 0.00 0.00 -0.85 -1.83 119.26 118.16 1xt0 h ALA 132 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1xt0 h ALA 132 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xt0 h ALA 132 CO 0.02 0.60 0.04 -0.92 0.00 0.00 0.00 179.25 178.99 1xt0 h TYR 133 N 0.90 0.88 -0.67 0.00 3.20 -0.51 -0.50 116.97 120.27 1xt0 h TYR 133 Ca 0.19 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1xt0 h TYR 133 Cb 0.37 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1xt0 h TYR 133 CO 0.02 0.83 0.30 1.25 -1.64 0.00 0.00 178.16 178.92 1xt0 h LEU 134 N 0.67 0.89 -0.66 2.82 5.85 -0.98 0.61 115.31 124.51 1xt0 h LEU 134 Ca 0.14 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1xt0 h LEU 134 Cb 0.45 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1xt0 h LEU 134 CO 0.02 0.78 0.26 -0.07 -0.34 0.00 0.00 178.44 179.10 1xt0 h LEU 135 N 0.93 0.91 -0.35 2.25 3.38 -1.10 -0.59 115.31 120.74 1xt0 h LEU 135 Ca 0.23 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1xt0 h LEU 135 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xt0 h LEU 135 CO -0.03 0.84 0.06 0.00 0.09 0.00 0.00 178.44 179.40 1xt0 h ALA 136 N 1.11 0.46 -0.24 1.53 0.00 -0.73 -0.02 119.26 121.36 1xt0 h ALA 136 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xt0 h ALA 136 Cb 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xt0 h ALA 136 CO -0.02 0.15 0.16 0.35 0.00 0.00 0.00 179.25 179.89 1xt0 h PHE 137 N 0.41 0.30 -0.81 0.00 3.57 -0.67 -0.79 116.94 118.94 1xt0 h PHE 137 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1xt0 h PHE 137 Cb 0.34 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1xt0 h PHE 137 CO 0.02 0.19 0.45 0.37 -2.23 0.00 0.00 178.31 177.11 1xt0 h GLN 138 N 0.32 1.13 -0.61 1.11 5.75 -0.99 -2.81 115.11 119.01 1xt0 h GLN 138 Ca 0.09 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 1xt0 h GLN 138 Cb -0.03 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.27 1xt0 h GLN 138 CO -0.02 0.83 0.04 1.15 -2.65 0.00 0.00 178.83 178.18 1xt0 h THR 139 N 1.13 1.26 0.00 2.39 2.02 -0.65 -0.49 112.91 118.57 1xt0 h THR 139 Ca 0.29 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1xt0 h THR 139 Cb 0.02 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1xt0 h THR 139 CO -0.05 0.40 0.00 -0.38 0.37 0.00 0.00 175.52 175.87 1xt0 n ILE 140 N -4.22 0.16 0.00 3.11 5.41 -0.33 -0.65 119.36 122.84 1xt0 n ILE 140 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1xt0 n ILE 140 Cb 0.32 -0.43 0.00 0.00 -0.71 0.00 0.00 39.64 38.82 1xt0 n ILE 140 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xt0 n LEU 142 N 0.66 0.00 -0.35 1.39 4.77 -0.19 -2.44 117.00 120.84 1xt0 n LEU 142 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1xt0 n LEU 142 Cb 0.11 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.41 1xt0 n LEU 142 CO 0.00 0.00 1.22 -1.13 -1.33 0.00 0.00 177.39 176.15 1xt0 h ASN 143 N 0.00 0.91 0.06 -1.43 -1.24 -1.15 -1.07 115.58 111.66 1xt0 h ASN 143 Ca 0.00 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 1xt0 h ASN 143 Cb 0.00 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 38.91 1xt0 h ASN 143 CO 0.00 0.51 -0.03 0.74 -1.29 0.00 0.00 177.43 177.36 1xt0 h THR 144 N 1.00 1.06 -0.20 -3.57 2.02 -1.75 -3.34 112.91 108.12 1xt0 h THR 144 Ca 0.47 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.06 1xt0 h THR 144 Cb 0.40 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1xt0 h THR 144 CO -0.24 0.33 0.09 0.44 0.37 0.00 0.00 175.52 176.51 1xt0 h ASP 145 N -0.93 0.27 0.12 4.18 3.32 -1.82 -2.85 116.42 118.71 1xt0 h ASP 145 Ca -0.01 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1xt0 h ASP 145 Cb 0.59 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xt0 h ASP 145 CO 0.01 0.32 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.76 1xt0 h LEU 146 N 0.19 0.00 -2.31 1.55 3.38 -1.39 -2.96 115.31 113.77 1xt0 h LEU 146 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xt0 h LEU 146 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xt0 h LEU 146 CO -0.01 0.03 0.00 1.41 0.09 0.00 0.00 178.44 179.96 1xt0 n HIS 147 N -3.58 0.37 -2.37 1.13 8.25 -1.15 -4.95 115.22 112.91 1xt0 n HIS 147 Ca -0.03 -0.28 -0.43 0.00 -0.26 0.00 0.00 57.72 56.72 1xt0 n HIS 147 Cb 0.12 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 1xt0 n HIS 147 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xt0 s ASN 148 N -1.12 6.87 0.44 0.41 3.84 -1.09 -4.91 114.94 119.38 1xt0 s ASN 148 Ca 0.26 1.71 0.14 0.00 0.21 0.00 0.00 52.86 55.18 1xt0 s ASN 148 Cb 0.15 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.28 1xt0 s ASN 148 CO 0.21 -0.82 1.97 -0.65 -2.79 0.00 0.00 177.10 175.02 1xt0 h PRO 149 N 8.51 0.00 -0.50 0.43 0.11 -1.92 -2.86 132.00 135.77 1xt0 h PRO 149 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1xt0 h PRO 149 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xt0 h PRO 149 CO 0.97 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.84 1xt0 n SER 150 N -4.29 1.72 -4.24 -2.05 3.41 -1.26 -4.78 113.62 102.12 1xt0 n SER 150 Ca -0.02 -2.12 -0.35 0.00 -0.26 0.00 0.00 58.87 56.12 1xt0 n SER 150 Cb 0.26 -0.32 -0.14 0.00 -0.26 0.00 0.00 64.21 63.75 1xt0 n SER 150 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xt0 s ILE 151 N -1.63 3.03 0.18 -1.33 1.01 -1.08 -5.08 121.20 116.30 1xt0 s ILE 151 Ca 0.16 -0.76 -0.33 0.00 0.00 0.00 0.00 60.65 59.72 1xt0 s ILE 151 Cb 0.10 -2.44 -0.15 0.00 0.01 0.00 0.00 42.46 39.98 1xt0 s ILE 151 CO 0.08 0.34 1.33 -2.65 0.00 0.00 0.00 174.94 174.04 1xt0 n PRO 152 N 4.73 1.57 -0.29 2.79 -0.02 -1.26 -4.84 135.00 137.68 1xt0 n PRO 152 Ca -0.18 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1xt0 n PRO 152 Cb 0.49 -2.17 0.26 0.00 -0.02 0.00 0.00 33.50 32.06 1xt0 n PRO 152 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xt0 h GLU 153 N 4.18 0.20 0.00 -0.52 4.57 -1.96 0.16 114.58 121.21 1xt0 h GLU 153 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1xt0 h GLU 153 Cb 1.31 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1xt0 h GLU 153 CO 0.76 0.13 0.00 0.36 -1.18 0.00 0.00 179.01 179.08 1xt0 n LYS 154 N -5.23 0.10 0.04 1.92 2.85 -1.26 -1.51 118.16 115.07 1xt0 n LYS 154 Ca 0.19 0.51 0.12 0.00 -1.05 0.00 0.00 58.31 58.08 1xt0 n LYS 154 Cb 0.63 -1.78 0.13 0.00 -0.65 0.00 0.00 35.03 33.35 1xt0 n LYS 154 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1xt0 n ASN 155 N -1.99 0.64 0.00 -5.58 5.03 0.55 -5.06 115.26 108.84 1xt0 n ASN 155 Ca 0.00 -0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.39 1xt0 n ASN 155 Cb 0.09 0.41 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1xt0 n ASN 155 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1xt0 n LYS 156 N -1.96 0.00 -4.03 3.52 5.02 -0.57 -5.05 118.16 115.08 1xt0 n LYS 156 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 1xt0 n LYS 156 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.38 1xt0 n LYS 156 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xt0 s THR 158 N 0.00 0.00 0.25 -0.18 -4.23 -1.26 -5.07 115.64 105.15 1xt0 s THR 158 Ca 0.00 -1.50 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1xt0 s THR 158 Cb 0.00 -2.34 0.25 0.00 1.34 0.00 0.00 72.50 71.75 1xt0 s THR 158 CO 0.00 0.00 1.90 0.58 -0.54 0.00 0.00 174.62 176.56 1xt0 h VAL 159 N 2.26 1.17 -0.78 2.29 2.07 -1.99 -0.48 116.25 120.79 1xt0 h VAL 159 Ca -0.28 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1xt0 h VAL 159 Cb 1.25 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1xt0 h VAL 159 CO 0.38 0.22 0.49 0.44 0.02 0.00 0.00 177.57 179.13 1xt0 h ASP 160 N 1.23 0.80 -0.43 0.57 3.32 -2.00 -1.73 116.42 118.17 1xt0 h ASP 160 Ca 0.38 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1xt0 h ASP 160 Cb -0.02 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1xt0 h ASP 160 CO -0.12 0.54 0.09 1.23 -1.72 0.00 0.00 179.24 179.27 1xt0 h GLY 161 N 0.94 0.76 0.67 2.75 0.00 -1.59 -2.51 103.07 104.09 1xt0 h GLY 161 Ca 0.32 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1xt0 h GLY 161 CO -0.12 0.46 0.01 -2.00 0.00 0.00 0.00 176.54 174.88 1xt0 h LEU 162 N 0.57 -0.06 -1.29 3.11 5.85 -0.61 -0.52 115.31 122.36 1xt0 h LEU 162 Ca 0.13 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1xt0 h LEU 162 Cb 0.35 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1xt0 h LEU 162 CO 0.00 -0.00 0.49 0.11 -0.34 0.00 0.00 178.44 178.70 1xt0 h LYS 163 N 0.09 0.92 -0.32 1.25 1.57 -1.23 -1.25 116.57 117.60 1xt0 h LYS 163 Ca 0.11 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 1xt0 h LYS 163 Cb 0.13 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1xt0 h LYS 163 CO -0.17 0.61 -0.42 0.00 -0.57 0.00 0.00 179.45 178.89 1xt0 h ARG 164 N 0.95 0.80 0.00 3.15 3.08 -0.97 -3.02 114.38 118.37 1xt0 h ARG 164 Ca 0.29 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1xt0 h ARG 164 Cb -0.02 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1xt0 h ARG 164 CO -0.07 1.07 -0.10 -0.97 -1.07 0.00 0.00 179.97 178.83 1xt0 h ASN 165 N 0.65 0.00 -0.29 7.04 -1.24 -0.20 -3.00 115.58 118.54 1xt0 h ASN 165 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1xt0 h ASN 165 Cb 0.99 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.04 1xt0 h ASN 165 CO 0.09 0.10 0.00 0.18 -1.29 0.00 0.00 177.43 176.51 1xt0 n LEU 166 N -3.25 3.23 -4.66 0.34 4.77 -0.56 -4.95 117.00 111.93 1xt0 n LEU 166 Ca 0.00 -1.40 -0.49 0.00 -0.03 0.00 0.00 56.01 54.10 1xt0 n LEU 166 Cb 0.35 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1xt0 n LEU 166 CO 0.30 0.67 1.24 -1.14 -1.33 0.00 0.00 177.39 177.13 1xt0 n ARG 167 N 1.35 1.88 -1.09 3.23 3.00 -1.14 -1.01 116.66 122.89 1xt0 n ARG 167 Ca 0.17 0.68 -0.03 0.00 -0.00 0.00 0.00 57.85 58.67 1xt0 n ARG 167 Cb 0.57 -2.44 -0.01 0.00 0.00 0.00 0.00 32.46 30.57 1xt0 n ARG 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xt0 n GLY 168 N 3.61 0.50 0.44 5.14 0.00 -1.14 -4.88 105.19 108.86 1xt0 n GLY 168 Ca 0.20 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1xt0 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xt0 n GLY 169 N -1.07 -0.06 2.87 -0.02 0.00 -0.18 -2.75 105.19 103.99 1xt0 n GLY 169 Ca -0.03 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1xt0 n GLY 169 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xt0 n ASN 170 N 0.08 6.01 -3.63 1.61 5.15 -0.09 -4.46 115.26 119.92 1xt0 n ASN 170 Ca 0.19 -3.45 -0.22 0.00 -0.60 0.00 0.00 54.58 50.50 1xt0 n ASN 170 Cb 0.33 -1.14 0.06 0.00 -0.53 0.00 0.00 39.78 38.49 1xt0 n ASN 170 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1xt0 n ASN 171 N 1.09 -3.16 0.00 1.20 5.15 -1.26 -1.62 115.26 116.66 1xt0 n ASN 171 Ca 0.28 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 1xt0 n ASN 171 Cb 0.34 -4.56 0.00 0.00 -0.53 0.00 0.00 39.78 35.03 1xt0 n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xt0 n GLY 172 N -1.55 3.12 0.38 8.20 0.00 -1.11 -5.02 105.19 109.21 1xt0 n GLY 172 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1xt0 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xt0 n GLY 173 N -0.98 1.77 3.75 -0.02 0.00 -0.64 -4.54 105.19 104.52 1xt0 n GLY 173 Ca 0.00 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 1xt0 n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xt0 s ASP 174 N -1.36 4.91 0.07 1.61 1.01 -1.26 -0.92 116.67 120.74 1xt0 s ASP 174 Ca 0.06 -0.59 -0.14 0.00 0.71 0.00 0.00 52.55 52.59 1xt0 s ASP 174 Cb -0.00 -0.93 -0.06 0.00 1.01 0.00 0.00 42.92 42.93 1xt0 s ASP 174 CO 0.04 -0.18 0.47 -0.36 0.21 0.00 0.00 175.17 175.35 1xt0 s PHE 175 N -2.32 3.67 0.20 4.23 0.08 -1.26 -4.77 117.98 117.80 1xt0 s PHE 175 Ca 0.36 1.01 -0.33 0.00 0.12 0.00 0.00 56.93 58.09 1xt0 s PHE 175 Cb -0.05 -2.31 -0.14 0.00 -0.57 0.00 0.00 43.02 39.95 1xt0 s PHE 175 CO 0.23 0.54 1.42 -3.47 -0.10 0.00 0.00 175.22 173.84 1xt0 n ASP 176 N 1.29 2.60 -0.23 1.36 2.03 -1.26 -4.87 116.55 117.47 1xt0 n ASP 176 Ca -0.09 1.12 -0.02 0.00 0.52 0.00 0.00 54.79 56.32 1xt0 n ASP 176 Cb 0.52 -1.39 0.10 0.00 -0.72 0.00 0.00 41.12 39.63 1xt0 n ASP 176 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xt0 h ALA 177 N 4.60 0.89 -0.49 -1.67 0.00 -2.00 -1.77 119.26 118.82 1xt0 h ALA 177 Ca -0.45 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1xt0 h ALA 177 Cb 1.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1xt0 h ALA 177 CO 0.79 0.05 0.11 -0.22 0.00 0.00 0.00 179.25 179.98 1xt0 h LYS 178 N 0.69 0.75 -0.67 0.00 3.64 -1.99 -0.84 116.57 118.15 1xt0 h LYS 178 Ca 0.30 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1xt0 h LYS 178 Cb 0.18 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1xt0 h LYS 178 CO -0.18 0.69 0.36 0.35 -2.27 0.00 0.00 179.45 178.40 1xt0 h PHE 179 N 0.73 0.94 -0.08 1.91 3.57 -1.71 -1.12 116.94 121.18 1xt0 h PHE 179 Ca 0.16 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1xt0 h PHE 179 Cb 0.29 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xt0 h PHE 179 CO 0.02 0.68 -0.62 -0.07 -2.23 0.00 0.00 178.31 176.09 1xt0 h LEU 180 N 0.93 0.32 -0.65 0.59 3.38 -0.93 -1.13 115.31 117.81 1xt0 h LEU 180 Ca 0.24 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xt0 h LEU 180 Cb 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1xt0 h LEU 180 CO -0.04 0.86 0.13 -0.33 0.09 0.00 0.00 178.44 179.15 1xt0 h GLU 181 N 0.21 1.07 -0.30 1.13 5.08 -0.85 -0.17 114.58 120.75 1xt0 h GLU 181 Ca -0.01 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1xt0 h GLU 181 Cb 1.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1xt0 h GLU 181 CO 0.10 0.98 0.05 1.49 -1.00 0.00 0.00 179.01 180.63 1xt0 h GLU 182 N 0.99 0.49 -0.28 2.33 4.81 -1.01 -2.07 114.58 119.85 1xt0 h GLU 182 Ca 0.20 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1xt0 h GLU 182 Cb 0.41 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1xt0 h GLU 182 CO 0.01 0.59 0.14 1.25 -0.73 0.00 0.00 179.01 180.27 1xt0 h LEU 183 N 0.31 0.22 -0.89 1.64 6.46 -0.96 -1.82 115.31 120.27 1xt0 h LEU 183 Ca 0.09 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1xt0 h LEU 183 Cb 0.34 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.18 1xt0 h LEU 183 CO 0.01 0.16 0.58 0.22 -0.62 0.00 0.00 178.44 178.79 1xt0 h TYR 184 N 0.30 1.09 -0.19 1.25 3.20 -0.95 -2.44 116.97 119.23 1xt0 h TYR 184 Ca 0.11 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.90 1xt0 h TYR 184 Cb 0.02 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 37.92 1xt0 h TYR 184 CO -0.09 0.64 -0.36 0.77 -1.64 0.00 0.00 178.16 177.48 1xt0 h SER 185 N 1.13 0.42 0.05 -2.11 0.02 -1.03 -1.56 113.55 110.47 1xt0 h SER 185 Ca 0.35 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1xt0 h SER 185 Cb -0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1xt0 h SER 185 CO -0.11 0.75 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.97 1xt0 h GLU 186 N 0.35 -0.06 -0.41 3.45 5.08 -0.93 -0.96 114.58 121.10 1xt0 h GLU 186 Ca 0.04 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1xt0 h GLU 186 Cb 0.79 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1xt0 h GLU 186 CO 0.06 0.40 -0.16 0.97 -1.00 0.00 0.00 179.01 179.28 1xt0 h ILE 187 N -0.55 1.26 -0.36 3.13 6.09 -1.50 0.20 117.51 125.78 1xt0 h ILE 187 Ca -0.01 -1.23 -0.09 0.00 -1.37 0.00 0.00 64.86 62.15 1xt0 h ILE 187 Cb 0.49 1.12 -0.02 0.00 0.47 0.00 0.00 36.82 38.89 1xt0 h ILE 187 CO 0.01 0.42 -0.17 0.50 -3.07 0.00 0.00 178.15 175.84 1xt0 h LYS 188 N 0.68 0.66 0.00 2.19 3.64 -1.31 -2.98 116.57 119.45 1xt0 h LYS 188 Ca 0.11 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 1xt0 h LYS 188 Cb 0.65 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1xt0 h LYS 188 CO 0.05 0.80 -0.85 0.00 -2.27 0.00 0.00 179.45 177.17 1xt0 h ALA 189 N 1.22 0.67 -2.24 5.00 0.00 -0.90 -3.44 119.26 119.56 1xt0 h ALA 189 Ca 0.10 -0.54 -0.40 0.00 0.00 0.00 0.00 54.91 54.07 1xt0 h ALA 189 Cb 0.62 0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.13 1xt0 h ALA 189 CO 0.04 0.65 -0.69 0.21 0.00 0.00 0.00 179.25 179.46 1xt0 s LYS 190 N -2.99 0.40 0.81 0.00 2.20 0.67 -5.07 119.74 115.76 1xt0 s LYS 190 Ca 0.01 -0.51 -0.14 0.00 -0.36 0.00 0.00 55.97 54.98 1xt0 s LYS 190 Cb 0.08 -0.82 0.05 0.00 -1.51 0.00 0.00 37.83 35.63 1xt0 s LYS 190 CO 0.77 -1.09 0.95 -2.30 -0.36 0.00 0.00 175.35 173.32 1xt0 n PRO 191 N 4.90 0.14 -1.69 4.03 -0.02 -1.21 -4.45 135.00 136.71 1xt0 n PRO 191 Ca 0.02 0.11 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 1xt0 n PRO 191 Cb 0.44 -2.23 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1xt0 n PRO 191 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1xt0 s PHE 192 N -2.11 2.76 -0.48 6.00 0.08 -1.26 -5.00 117.98 117.96 1xt0 s PHE 192 Ca 0.69 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 59.15 1xt0 s PHE 192 Cb -0.29 -3.07 0.11 0.00 -0.57 0.00 0.00 43.02 39.20 1xt0 s PHE 192 CO 0.55 -1.52 0.38 -2.00 -0.10 0.00 0.00 175.22 172.52 1xt0 s GLU 193 N -4.39 2.72 -0.18 0.44 2.12 -1.26 -5.06 118.70 113.08 1xt0 s GLU 193 Ca 0.64 -1.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.32 1xt0 s GLU 193 Cb -0.18 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 30.17 1xt0 s GLU 193 CO 0.45 -1.16 -0.08 -0.51 -0.54 0.00 0.00 175.26 173.43 1xt0 s LEU 194 N 1.48 2.80 -0.33 2.70 1.43 -1.26 -4.09 118.68 121.40 1xt0 s LEU 194 Ca 0.04 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1xt0 s LEU 194 Cb -0.26 -1.68 0.08 0.00 0.03 0.00 0.00 46.19 44.36 1xt0 s LEU 194 CO 0.02 0.05 0.05 0.20 0.23 0.00 0.00 176.35 176.91 1xt0 s ASN 195 N 1.04 4.91 0.07 2.29 0.01 -1.26 -5.08 114.94 116.92 1xt0 s ASN 195 Ca -0.00 -1.70 -0.02 0.00 -0.71 0.00 0.00 52.86 50.43 1xt0 s ASN 195 Cb -0.15 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.76 1xt0 s ASN 195 CO -0.01 -0.36 0.26 -0.36 -1.51 0.00 0.00 177.10 175.12 1xt0 s PHE 196 N 1.13 3.52 1.24 2.20 0.40 -1.26 -0.28 117.98 124.93 1xt0 s PHE 196 Ca 0.02 0.37 -0.20 0.00 -0.60 0.00 0.00 56.93 56.52 1xt0 s PHE 196 Cb -0.20 -1.85 0.30 0.00 0.51 0.00 0.00 43.02 41.77 1xt0 s PHE 196 CO -0.04 0.56 1.10 0.14 0.70 0.00 0.00 175.22 177.68 1xt0 s VAL 197 N -1.50 1.52 0.00 -0.44 -7.23 0.83 -4.87 120.40 108.71 1xt0 s VAL 197 Ca 0.35 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.52 1xt0 s VAL 197 Cb -0.13 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1xt0 s VAL 197 CO 0.25 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.33 1xt0 n LYS 198 N -4.90 1.81 -0.31 4.82 5.02 -1.26 -4.75 118.16 118.59 1xt0 n LYS 198 Ca 0.14 0.00 0.29 0.00 -2.02 0.00 0.00 58.31 56.73 1xt0 n LYS 198 Cb 0.60 0.00 0.54 0.00 -0.02 0.00 0.00 35.03 36.15 1xt0 n LYS 198 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xt0 n THR 199 N 0.00 -0.41 -3.99 -0.18 -2.24 -1.26 -4.11 114.28 102.10 1xt0 n THR 199 Ca 0.00 1.98 -0.31 0.00 -2.27 0.00 0.00 64.05 63.45 1xt0 n THR 199 Cb 0.00 -3.18 -0.15 0.00 -2.10 0.00 0.00 70.33 64.90 1xt0 n THR 199 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xt0 s SER 200 N -4.58 4.58 0.00 3.42 0.15 -1.26 -5.09 113.70 110.91 1xt0 s SER 200 Ca -0.09 -1.93 0.24 0.00 0.70 0.00 0.00 55.95 54.87 1xt0 s SER 200 Cb 0.32 -1.50 0.28 0.00 -1.71 0.00 0.00 66.02 63.42 1xt0 s SER 200 CO 0.75 -0.35 1.31 -0.81 1.20 0.00 0.00 173.24 175.34