#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wba s LYS 3 N 0.00 3.25 -0.12 4.33 -0.14 -0.85 -4.91 119.74 121.30 2wba s LYS 3 Ca 0.00 -0.54 -0.03 0.00 -1.36 0.00 0.00 55.97 54.03 2wba s LYS 3 Cb 0.00 -2.92 -0.03 0.00 -1.68 0.00 0.00 37.83 33.19 2wba s LYS 3 CO 0.00 0.59 0.01 0.00 -0.76 0.00 0.00 175.35 175.18 2wba s ALA 4 N -1.50 3.27 -0.03 5.17 0.00 -1.26 0.25 121.76 127.65 2wba s ALA 4 Ca 0.33 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2wba s ALA 4 Cb -0.12 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.42 2wba s ALA 4 CO 0.26 0.44 0.12 -0.06 0.00 0.00 0.00 175.76 176.52 2wba s PHE 5 N -0.42 -0.07 0.20 0.00 0.08 0.47 -4.95 117.98 113.29 2wba s PHE 5 Ca 0.08 0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.20 2wba s PHE 5 Cb -0.12 0.01 0.12 0.00 -0.57 0.00 0.00 43.02 42.46 2wba s PHE 5 CO 0.02 -0.13 1.77 -0.44 -0.10 0.00 0.00 175.22 176.34 2wba h ASP 6 N 5.46 0.96 -3.47 1.36 3.32 -1.55 -1.82 116.42 120.68 2wba h ASP 6 Ca -0.27 -0.16 -0.29 0.00 0.02 0.00 0.00 57.03 56.34 2wba h ASP 6 Cb 1.20 -0.25 -0.34 0.00 0.22 0.00 0.00 39.33 40.16 2wba h ASP 6 CO 0.42 0.85 -0.69 -0.22 -1.72 0.00 0.00 179.24 177.88 2wba s LEU 7 N -9.78 0.89 -0.17 1.55 2.96 -1.06 -1.39 118.68 111.69 2wba s LEU 7 Ca -0.13 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2wba s LEU 7 Cb 0.14 0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.89 2wba s LEU 7 CO 0.81 -0.15 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.89 2wba s VAL 8 N 1.20 2.96 -0.20 1.68 1.01 -0.21 -0.90 120.40 125.95 2wba s VAL 8 Ca -0.08 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2wba s VAL 8 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2wba s VAL 8 CO -0.04 0.50 0.01 -0.69 0.00 0.00 0.00 175.10 174.88 2wba s VAL 9 N 0.86 4.08 -0.43 2.92 1.01 0.14 -0.52 120.40 128.46 2wba s VAL 9 Ca -0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 2wba s VAL 9 Cb -0.15 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.42 2wba s VAL 9 CO 0.00 0.43 0.37 -0.63 0.00 0.00 0.00 175.10 175.27 2wba s ILE 10 N 0.92 5.20 0.00 2.22 1.01 0.04 -0.73 121.20 129.86 2wba s ILE 10 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2wba s ILE 10 Cb -0.14 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2wba s ILE 10 CO 0.02 -0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.14 2wba n GLY 11 N 5.16 2.17 2.84 6.18 0.00 0.48 -0.71 105.19 121.32 2wba n GLY 11 Ca -0.10 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 2wba n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wba n ALA 12 N 1.08 6.44 -2.12 4.61 0.00 -1.16 -4.31 120.51 125.05 2wba n ALA 12 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2wba n ALA 12 Cb 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2wba n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wba n GLY 13 N -0.37 2.41 0.32 0.00 0.00 -1.26 -0.50 105.19 105.79 2wba n GLY 13 Ca 0.52 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 2wba n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wba h SER 14 N 0.00 -0.65 -0.21 1.61 0.02 -1.93 -0.98 113.55 111.42 2wba h SER 14 Ca 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2wba h SER 14 Cb 0.00 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2wba h SER 14 CO 0.00 -0.44 -0.10 1.23 -1.14 0.00 0.00 176.83 176.38 2wba h GLY 15 N -0.80 0.48 0.98 -3.77 0.00 -1.85 -2.99 103.07 95.11 2wba h GLY 15 Ca -0.08 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.83 2wba h GLY 15 CO 0.13 0.39 0.41 -1.33 0.00 0.00 0.00 176.54 176.14 2wba h GLY 16 N 0.15 0.88 1.35 4.60 0.00 -1.73 -1.34 103.07 106.97 2wba h GLY 16 Ca 0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 2wba h GLY 16 CO 0.03 0.31 -0.51 1.41 0.00 0.00 0.00 176.54 177.78 2wba h LEU 17 N 0.83 0.76 0.26 3.11 3.38 -1.26 -0.67 115.31 121.72 2wba h LEU 17 Ca 0.23 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2wba h LEU 17 Cb -0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2wba h LEU 17 CO -0.06 1.13 -0.13 -0.08 0.09 0.00 0.00 178.44 179.39 2wba h GLU 18 N 0.54 -0.34 -0.48 1.13 4.57 -1.34 0.14 114.58 118.80 2wba h GLU 18 Ca 0.02 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.30 2wba h GLU 18 Cb 1.07 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.67 2wba h GLU 18 CO 0.10 -0.17 0.12 0.00 -1.18 0.00 0.00 179.01 177.88 2wba h ALA 19 N 0.30 0.56 -0.03 2.92 0.00 -1.22 -0.30 119.26 121.48 2wba h ALA 19 Ca -0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wba h ALA 19 Cb 0.32 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wba h ALA 19 CO 0.06 -0.28 0.00 0.78 0.00 0.00 0.00 179.25 179.81 2wba h GLY 20 N 0.27 0.06 0.62 0.00 0.00 -0.93 -1.10 103.07 101.99 2wba h GLY 20 Ca 0.24 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.57 2wba h GLY 20 CO -0.29 0.04 0.04 -0.25 0.00 0.00 0.00 176.54 176.08 2wba h TRP 21 N -0.24 0.07 -0.10 5.60 2.91 -0.63 -2.11 115.95 121.45 2wba h TRP 21 Ca 0.01 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 2wba h TRP 21 Cb 0.31 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.97 2wba h TRP 21 CO 0.03 0.00 0.03 -0.91 -1.03 0.00 0.00 178.44 176.56 2wba h ASN 22 N 0.14 0.15 -0.54 2.65 4.21 -0.97 -0.27 115.58 120.96 2wba h ASN 22 Ca 0.14 -0.21 0.08 0.00 1.21 0.00 0.00 56.30 57.53 2wba h ASN 22 Cb 0.16 -0.04 -0.07 0.00 -1.12 0.00 0.00 38.32 37.25 2wba h ASN 22 CO -0.20 0.32 0.17 0.00 -1.29 0.00 0.00 177.43 176.43 2wba h ALA 23 N 0.84 0.65 -0.01 -0.83 0.00 -1.16 0.48 119.26 119.23 2wba h ALA 23 Ca 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wba h ALA 23 Cb 0.22 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wba h ALA 23 CO -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 178.98 2wba h ALA 24 N 1.38 0.02 0.00 0.00 0.00 -1.25 -2.19 119.26 117.22 2wba h ALA 24 Ca 0.27 -0.31 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 2wba h ALA 24 Cb 0.32 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2wba h ALA 24 CO -0.29 -0.16 -1.60 0.25 0.00 0.00 0.00 179.25 177.45 2wba n THR 25 N -4.76 1.40 -0.04 0.00 -2.24 -0.12 -1.86 114.28 106.65 2wba n THR 25 Ca -0.09 -0.75 -0.07 0.00 -2.27 0.00 0.00 64.05 60.87 2wba n THR 25 Cb 0.32 -0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 67.53 2wba n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wba n LEU 26 N -2.96 0.54 -0.04 3.22 4.77 0.15 -4.56 117.00 118.14 2wba n LEU 26 Ca -0.14 0.26 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 2wba n LEU 26 Cb 0.95 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.31 2wba n LEU 26 CO 0.44 0.39 0.19 -1.22 -1.33 0.00 0.00 177.39 175.85 2wba n TYR 27 N -2.90 0.00 -2.09 -1.77 4.01 -1.09 -5.03 117.16 108.29 2wba n TYR 27 Ca -0.21 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.40 2wba n TYR 27 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.06 2wba n TYR 27 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wba n GLY 28 N 0.35 0.12 3.91 2.72 0.00 -0.78 -4.96 105.19 106.56 2wba n GLY 28 Ca 0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 2wba n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wba s LYS 29 N -4.37 3.56 -0.25 1.61 -0.14 -0.86 -4.98 119.74 114.31 2wba s LYS 29 Ca 0.00 0.16 -0.19 0.00 -1.36 0.00 0.00 55.97 54.58 2wba s LYS 29 Cb 0.00 -2.41 -0.02 0.00 -1.68 0.00 0.00 37.83 33.71 2wba s LYS 29 CO 0.00 -0.14 0.57 0.50 -0.76 0.00 0.00 175.35 175.52 2wba s ARG 30 N -4.58 4.10 -0.04 1.68 3.52 -1.26 -4.26 118.95 118.11 2wba s ARG 30 Ca 0.47 0.44 0.06 0.00 -0.13 0.00 0.00 55.73 56.57 2wba s ARG 30 Cb -0.10 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2wba s ARG 30 CO 0.42 -0.36 -0.22 0.08 -0.81 0.00 0.00 175.30 174.41 2wba s VAL 31 N 2.34 1.78 -0.08 7.11 1.01 0.19 -1.47 120.40 131.28 2wba s VAL 31 Ca 0.24 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2wba s VAL 31 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2wba s VAL 31 CO 0.09 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 175.52 2wba s ALA 32 N -0.18 2.48 -0.08 5.51 0.00 -0.07 -1.01 121.76 128.41 2wba s ALA 32 Ca -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2wba s ALA 32 Cb -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.07 2wba s ALA 32 CO 0.02 0.42 -0.16 0.08 0.00 0.00 0.00 175.76 176.12 2wba s VAL 33 N -0.22 1.42 -0.10 0.00 1.01 -0.19 0.29 120.40 122.60 2wba s VAL 33 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2wba s VAL 33 Cb -0.13 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2wba s VAL 33 CO 0.03 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.75 2wba s VAL 34 N 0.57 3.31 0.16 2.92 1.01 0.09 -0.83 120.40 127.64 2wba s VAL 34 Ca -0.16 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 2wba s VAL 34 Cb -0.16 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2wba s VAL 34 CO 0.05 0.55 0.29 -0.62 0.00 0.00 0.00 175.10 175.38 2wba s ASP 35 N -0.15 0.03 0.18 3.32 -1.08 -1.13 -0.39 116.67 117.45 2wba s ASP 35 Ca 0.00 -0.83 0.23 0.00 -0.52 0.00 0.00 52.55 51.43 2wba s ASP 35 Cb -0.13 0.44 0.21 0.00 -1.46 0.00 0.00 42.92 41.97 2wba s ASP 35 CO 0.03 -0.89 1.24 -0.37 0.52 0.00 0.00 175.17 175.69 2wba h VAL 36 N 2.53 0.00 -2.76 1.11 -1.51 -1.88 -1.15 116.25 112.59 2wba h VAL 36 Ca -0.32 -0.73 -0.03 0.00 -1.23 0.00 0.00 66.70 64.39 2wba h VAL 36 Cb 1.23 1.32 -0.14 0.00 -2.13 0.00 0.00 31.29 31.57 2wba h VAL 36 CO 0.48 0.00 0.19 0.00 -1.23 0.00 0.00 177.57 177.01 2wba s GLN 37 N -3.25 1.21 0.00 5.19 -2.07 -1.26 -4.55 119.66 114.94 2wba s GLN 37 Ca 0.04 -0.29 0.24 0.00 -1.82 0.00 0.00 55.36 53.53 2wba s GLN 37 Cb 0.11 0.56 0.32 0.00 -1.09 0.00 0.00 33.01 32.91 2wba s GLN 37 CO 0.74 -0.49 1.28 0.25 -1.32 0.00 0.00 175.29 175.75 2wba n THR 38 N -0.03 0.01 -3.98 3.63 -2.24 -1.26 -1.29 114.28 109.12 2wba n THR 38 Ca -0.18 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 2wba n THR 38 Cb 0.63 0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 2wba n THR 38 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wba s SER 39 N -3.06 0.28 0.93 3.42 1.04 -1.26 -4.60 113.70 110.45 2wba s SER 39 Ca 0.10 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 2wba s SER 39 Cb 0.17 0.22 0.16 0.00 0.10 0.00 0.00 66.02 66.67 2wba s SER 39 CO 0.74 -0.55 1.14 -1.38 0.98 0.00 0.00 173.24 174.17 2wba s HIS 40 N -3.12 1.57 0.00 5.02 0.00 -1.26 -4.77 115.29 112.73 2wba s HIS 40 Ca -0.01 1.77 0.00 0.00 -3.00 0.00 0.00 55.06 53.83 2wba s HIS 40 Cb 0.02 -3.34 0.00 0.00 -4.00 0.00 0.00 32.58 25.26 2wba s HIS 40 CO -0.07 -2.91 0.00 0.41 -1.00 0.00 0.00 174.74 171.17 2wba n GLY 41 N 0.29 0.73 3.56 -1.38 0.00 -0.84 -4.91 105.19 102.64 2wba n GLY 41 Ca 0.11 -2.15 -0.44 0.00 0.00 0.00 0.00 46.02 43.54 2wba n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wba n PRO 42 N -0.01 1.15 0.14 1.61 -0.02 -1.26 -0.35 135.00 136.25 2wba n PRO 42 Ca 0.00 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2wba n PRO 42 Cb 0.00 -1.76 0.12 0.00 -0.02 0.00 0.00 33.50 31.85 2wba n PRO 42 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2wba h PRO 43 N 1.72 0.00 0.00 0.52 0.13 -1.97 -3.44 132.00 128.96 2wba h PRO 43 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2wba h PRO 43 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2wba h PRO 43 CO 0.59 0.00 -1.25 1.19 -0.23 0.00 0.00 178.00 178.30 2wba n PHE 44 N -2.68 0.00 0.00 1.56 3.72 -1.11 -5.00 117.46 113.95 2wba n PHE 44 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2wba n PHE 44 Cb 0.51 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 2wba n PHE 44 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wba n TYR 45 N -1.70 0.00 -0.74 1.38 4.02 0.52 -4.79 117.16 115.85 2wba n TYR 45 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 2wba n TYR 45 Cb 0.38 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 39.86 2wba n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wba n ALA 46 N 0.26 -0.71 -3.40 -0.72 0.00 -1.26 -1.99 120.51 112.69 2wba n ALA 46 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.94 2wba n ALA 46 Cb 0.00 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.26 2wba n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wba n ALA 47 N -4.11 -1.12 -1.70 0.00 0.00 -1.26 -4.72 120.51 107.60 2wba n ALA 47 Ca 0.12 -0.52 -0.63 0.00 0.00 0.00 0.00 53.44 52.41 2wba n ALA 47 Cb 0.52 0.34 -0.09 0.00 0.00 0.00 0.00 19.45 20.21 2wba n ALA 47 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wba n LEU 48 N 0.00 1.63 0.00 0.00 7.94 -0.42 0.13 117.00 126.28 2wba n LEU 48 Ca -0.02 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2wba n LEU 48 Cb 0.28 -0.98 0.00 0.00 0.53 0.00 0.00 43.42 43.24 2wba n LEU 48 CO 0.11 -0.69 0.00 0.61 -1.11 0.00 0.00 177.39 176.32 2wba n GLY 49 N 4.33 2.10 0.35 -3.96 0.00 0.34 -4.68 105.19 103.67 2wba n GLY 49 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2wba n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wba n GLY 50 N -0.41 -3.34 0.19 -0.02 0.00 0.12 -4.06 105.19 97.66 2wba n GLY 50 Ca 0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2wba n GLY 50 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wba h THR 51 N 0.00 1.17 -0.50 2.61 2.02 -1.93 -2.59 112.91 113.69 2wba h THR 51 Ca 0.00 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 2wba h THR 51 Cb 0.00 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2wba h THR 51 CO 0.00 0.19 0.31 0.00 0.37 0.00 0.00 175.52 176.39 2wba h VAL 53 N 0.67 1.27 0.01 0.00 2.07 -1.70 -1.30 116.25 117.28 2wba h VAL 53 Ca 0.18 -1.38 -0.34 0.00 0.82 0.00 0.00 66.70 65.98 2wba h VAL 53 Cb -0.03 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2wba h VAL 53 CO -0.04 0.47 -1.87 0.59 0.02 0.00 0.00 177.57 176.74 2wba n ASN 54 N -4.15 1.92 -2.71 0.57 3.02 -0.98 -4.36 115.26 108.58 2wba n ASN 54 Ca -0.01 0.35 -0.06 0.00 -0.03 0.00 0.00 54.58 54.83 2wba n ASN 54 Cb 0.46 -0.88 0.04 0.00 -0.61 0.00 0.00 39.78 38.79 2wba n ASN 54 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2wba n VAL 55 N -4.24 1.14 0.00 2.41 0.24 0.78 -4.82 118.33 113.84 2wba n VAL 55 Ca -0.42 -3.06 0.00 0.00 -2.04 0.00 0.00 64.34 58.82 2wba n VAL 55 Cb 0.80 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 2wba n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wba n GLY 56 N -0.27 4.18 0.34 7.63 0.00 -0.03 -4.81 105.19 112.23 2wba n GLY 56 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 2wba n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wba h VAL 58 N -0.06 0.30 -0.47 0.00 2.07 -1.52 -1.29 116.25 115.28 2wba h VAL 58 Ca 0.32 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2wba h VAL 58 Cb 0.58 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2wba h VAL 58 CO -0.82 0.03 -0.03 1.55 0.02 0.00 0.00 177.57 178.32 2wba h PRO 59 N -1.01 0.80 -0.02 1.57 0.13 -1.71 -2.73 132.00 129.04 2wba h PRO 59 Ca -0.08 -0.23 -0.12 0.00 -0.87 0.00 0.00 66.00 64.69 2wba h PRO 59 Cb 0.68 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.71 2wba h PRO 59 CO 0.14 0.83 -0.54 1.57 -0.23 0.00 0.00 178.00 179.76 2wba h LYS 60 N 0.74 0.06 -0.42 0.86 5.09 -1.27 -1.36 116.57 120.27 2wba h LYS 60 Ca 0.14 -0.04 -0.06 0.00 0.09 0.00 0.00 60.65 60.79 2wba h LYS 60 Cb 0.50 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.81 2wba h LYS 60 CO 0.03 0.59 0.04 -0.22 -2.09 0.00 0.00 179.45 177.80 2wba h LYS 61 N 0.05 0.72 -0.96 0.07 1.63 -1.12 0.27 116.57 117.23 2wba h LYS 61 Ca -0.00 -0.21 0.08 0.00 -0.85 0.00 0.00 60.65 59.67 2wba h LYS 61 Cb 0.98 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 32.46 2wba h LYS 61 CO 0.07 0.77 0.61 -0.07 -3.45 0.00 0.00 179.45 177.38 2wba h LEU 62 N 0.57 0.94 -0.22 5.20 3.38 -1.19 0.35 115.31 124.34 2wba h LEU 62 Ca 0.13 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 2wba h LEU 62 Cb 0.42 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wba h LEU 62 CO 0.01 0.57 -0.80 0.24 0.09 0.00 0.00 178.44 178.56 2wba h MET 63 N 1.06 0.66 -0.64 1.13 2.86 -0.78 -1.64 114.93 117.59 2wba h MET 63 Ca 0.43 -0.56 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2wba h MET 63 Cb 0.26 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 2wba h MET 63 CO -0.20 1.17 0.30 0.28 1.06 0.00 0.00 176.91 179.52 2wba h VAL 64 N 0.44 1.22 -0.52 -2.22 2.07 -0.27 -0.89 116.25 116.08 2wba h VAL 64 Ca -0.05 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.87 2wba h VAL 64 Cb 1.41 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2wba h VAL 64 CO 0.15 0.26 0.27 0.74 0.02 0.00 0.00 177.57 179.02 2wba h THR 65 N 0.88 0.97 -0.48 2.57 2.02 -0.81 -0.55 112.91 117.51 2wba h THR 65 Ca 0.22 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.27 2wba h THR 65 Cb 0.14 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 66.88 2wba h THR 65 CO -0.03 0.10 0.18 1.23 0.37 0.00 0.00 175.52 177.37 2wba h GLY 66 N 0.53 0.64 1.89 2.16 0.00 -1.03 -2.64 103.07 104.61 2wba h GLY 66 Ca 0.23 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 2wba h GLY 66 CO -0.15 0.03 -0.03 0.00 0.00 0.00 0.00 176.54 176.39 2wba h ALA 67 N 1.31 1.76 0.00 3.60 0.00 -0.30 -2.56 119.26 123.06 2wba h ALA 67 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wba h ALA 67 Cb 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wba h ALA 67 CO -0.22 0.18 -0.08 1.96 0.00 0.00 0.00 179.25 181.10 2wba h GLN 68 N 0.15 0.00 0.00 0.00 4.20 -0.75 -2.59 115.11 116.12 2wba h GLN 68 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2wba h GLN 68 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2wba h GLN 68 CO 0.01 0.08 -0.15 1.88 -0.67 0.00 0.00 178.83 179.97 2wba h TYR 69 N 0.00 0.00 -0.53 2.96 0.05 -1.52 -1.18 116.97 116.75 2wba h TYR 69 Ca -0.00 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 2wba h TYR 69 Cb 0.21 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.89 2wba h TYR 69 CO 0.00 0.15 0.22 1.98 -1.05 0.00 0.00 178.16 179.46 2wba h MET 70 N 0.00 0.41 -0.12 4.88 4.05 -1.65 0.13 114.93 122.63 2wba h MET 70 Ca -0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2wba h MET 70 Cb 0.29 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2wba h MET 70 CO 0.02 0.27 -0.07 -0.44 0.23 0.00 0.00 176.91 176.92 2wba h ASP 71 N 0.43 0.28 -0.30 1.39 5.19 -1.54 -2.99 116.42 118.89 2wba h ASP 71 Ca 0.25 -0.43 0.06 0.00 -0.62 0.00 0.00 57.03 56.29 2wba h ASP 71 Cb 0.24 -0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.61 2wba h ASP 71 CO -0.22 0.65 -0.08 0.45 -3.12 0.00 0.00 179.24 176.92 2wba h HIS 72 N -0.09 -0.16 -0.37 4.55 3.86 -0.91 0.20 115.15 122.22 2wba h HIS 72 Ca 0.03 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 2wba h HIS 72 Cb 0.55 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 2wba h HIS 72 CO 0.07 -0.13 0.13 -0.07 0.86 0.00 0.00 177.93 178.80 2wba h LEU 73 N -0.00 0.15 -0.42 2.43 3.38 -0.80 -0.48 115.31 119.56 2wba h LEU 73 Ca 0.14 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2wba h LEU 73 Cb 0.22 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2wba h LEU 73 CO -0.31 0.12 0.09 -0.09 0.09 0.00 0.00 178.44 178.34 2wba h ARG 74 N 0.29 0.68 0.00 1.13 2.43 -1.31 -3.22 114.38 114.38 2wba h ARG 74 Ca 0.17 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2wba h ARG 74 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2wba h ARG 74 CO -0.17 0.70 -0.26 0.93 -1.51 0.00 0.00 179.97 179.66 2wba h GLU 75 N 0.54 0.00 0.00 0.20 5.08 -0.10 -3.01 114.58 117.29 2wba h GLU 75 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wba h GLU 75 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wba h GLU 75 CO 0.00 0.26 -0.02 0.66 -1.00 0.00 0.00 179.01 178.92 2wba h SER 76 N 0.00 0.00 -1.00 1.42 4.64 -1.11 -2.92 113.55 114.58 2wba h SER 76 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2wba h SER 76 Cb 0.77 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 2wba h SER 76 CO 0.03 0.02 0.66 0.00 -0.87 0.00 0.00 176.83 176.67 2wba h ALA 77 N 1.98 1.29 0.00 5.18 0.00 -1.65 -0.44 119.26 125.62 2wba h ALA 77 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wba h ALA 77 Cb 0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2wba h ALA 77 CO 0.00 0.66 -0.01 0.78 0.00 0.00 0.00 179.25 180.68 2wba h GLY 78 N 1.35 0.00 -2.53 0.00 0.00 -1.71 -1.12 103.07 99.06 2wba h GLY 78 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2wba h GLY 78 CO -0.08 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.15 2wba n PHE 79 N -3.31 1.10 -0.07 5.60 3.01 -0.23 -4.85 117.46 118.70 2wba n PHE 79 Ca -0.03 -0.57 0.00 0.00 1.01 0.00 0.00 57.45 57.86 2wba n PHE 79 Cb 0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 2wba n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wba n GLY 80 N 1.11 0.68 3.69 1.37 0.00 -0.42 -5.05 105.19 106.56 2wba n GLY 80 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wba n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wba s TRP 81 N -2.10 3.41 -0.05 1.61 0.52 -0.85 -4.98 118.94 116.49 2wba s TRP 81 Ca 0.00 1.44 0.05 0.00 0.02 0.00 0.00 56.10 57.61 2wba s TRP 81 Cb 0.00 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.02 2wba s TRP 81 CO 0.00 -0.72 -0.22 -1.21 0.02 0.00 0.00 176.95 174.82 2wba s GLU 82 N 1.83 2.27 0.12 4.98 2.02 -1.26 -3.98 118.70 124.68 2wba s GLU 82 Ca 0.53 -0.79 -0.26 0.00 0.02 0.00 0.00 54.97 54.48 2wba s GLU 82 Cb -0.22 -1.93 0.07 0.00 0.10 0.00 0.00 34.13 32.15 2wba s GLU 82 CO 0.22 0.32 0.90 -0.59 0.02 0.00 0.00 175.26 176.13 2wba s PHE 83 N -0.06 -0.22 -0.66 1.61 -0.71 -1.26 -5.11 117.98 111.57 2wba s PHE 83 Ca -0.04 -0.05 -0.27 0.00 -1.04 0.00 0.00 56.93 55.53 2wba s PHE 83 Cb -0.13 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.30 2wba s PHE 83 CO 0.03 -0.79 1.58 0.34 -1.34 0.00 0.00 175.22 175.05 2wba s ASP 84 N -2.81 5.71 0.38 1.98 2.15 -1.26 -4.86 116.67 117.96 2wba s ASP 84 Ca 0.09 0.00 0.06 0.00 0.43 0.00 0.00 52.55 53.14 2wba s ASP 84 Cb -0.02 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.85 2wba s ASP 84 CO -0.01 -2.10 2.01 1.23 -0.17 0.00 0.00 175.17 176.12 2wba h GLY 85 N 14.76 0.77 2.00 2.66 0.00 -2.00 -2.30 103.07 118.96 2wba h GLY 85 Ca -0.27 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2wba h GLY 85 CO 1.24 0.23 0.00 1.48 0.00 0.00 0.00 176.54 179.50 2wba h SER 86 N 0.68 0.00 0.20 0.19 4.64 -2.08 -2.33 113.55 114.85 2wba h SER 86 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wba h SER 86 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2wba h SER 86 CO -0.06 0.00 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.26 2wba n SER 87 N -2.32 0.77 -4.66 4.97 3.41 -0.86 -4.89 113.62 110.04 2wba n SER 87 Ca 0.02 -0.91 -0.43 0.00 -0.26 0.00 0.00 58.87 57.29 2wba n SER 87 Cb 0.26 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 2wba n SER 87 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wba s VAL 88 N -2.31 4.45 -0.00 -3.33 1.01 -0.88 -5.03 120.40 114.31 2wba s VAL 88 Ca 0.32 1.75 0.02 0.00 0.00 0.00 0.00 61.98 64.07 2wba s VAL 88 Cb 0.20 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2wba s VAL 88 CO 0.44 -0.13 -0.05 -1.59 0.00 0.00 0.00 175.10 173.76 2wba s LYS 89 N 3.20 0.42 -0.39 2.72 0.00 -1.26 -5.12 119.74 119.30 2wba s LYS 89 Ca 0.51 -0.22 -0.16 0.00 0.00 0.00 0.00 55.97 56.10 2wba s LYS 89 Cb -0.19 -0.39 0.01 0.00 0.00 0.00 0.00 37.83 37.25 2wba s LYS 89 CO 0.12 0.11 0.36 0.00 0.00 0.00 0.00 175.35 175.94 2wba s ALA 90 N -0.19 3.47 -0.67 0.59 0.00 -1.26 -5.04 121.76 118.65 2wba s ALA 90 Ca 0.01 -1.51 -0.19 0.00 0.00 0.00 0.00 51.96 50.27 2wba s ALA 90 Cb -0.02 -2.91 0.11 0.00 0.00 0.00 0.00 23.12 20.29 2wba s ALA 90 CO -0.00 -1.38 0.83 1.21 0.00 0.00 0.00 175.76 176.42 2wba s ASN 91 N 1.74 6.28 0.20 0.00 3.84 -1.26 -4.90 114.94 120.84 2wba s ASN 91 Ca 0.09 -1.52 -0.11 0.00 0.21 0.00 0.00 52.86 51.53 2wba s ASN 91 Cb -0.18 -2.33 0.13 0.00 -0.55 0.00 0.00 41.25 38.32 2wba s ASN 91 CO 0.12 -1.14 1.85 -0.25 -2.79 0.00 0.00 177.10 174.89 2wba h TRP 92 N 9.12 0.88 -0.86 0.43 2.91 -1.96 -2.32 115.95 124.16 2wba h TRP 92 Ca -0.20 0.01 0.10 0.00 1.13 0.00 0.00 58.89 59.93 2wba h TRP 92 Cb 1.07 -0.29 -0.07 0.00 -0.51 0.00 0.00 29.16 29.35 2wba h TRP 92 CO 0.93 0.58 0.50 0.87 -1.03 0.00 0.00 178.44 180.29 2wba h LYS 93 N 0.93 0.82 -0.24 2.65 1.57 -1.91 0.59 116.57 120.98 2wba h LYS 93 Ca 0.25 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2wba h LYS 93 Cb -0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2wba h LYS 93 CO -0.05 0.54 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.10 2wba h LYS 94 N 0.84 0.45 -0.03 3.15 1.63 -1.91 -1.20 116.57 119.51 2wba h LYS 94 Ca 0.41 -0.17 0.03 0.00 -0.85 0.00 0.00 60.65 60.08 2wba h LYS 94 Cb 0.37 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.92 2wba h LYS 94 CO -0.24 0.68 -0.27 1.25 -3.45 0.00 0.00 179.45 177.41 2wba h LEU 95 N 0.20 -0.81 -0.93 5.20 5.85 -0.82 -1.07 115.31 122.92 2wba h LEU 95 Ca 0.06 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2wba h LEU 95 Cb 0.50 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2wba h LEU 95 CO 0.02 -0.33 0.56 0.40 -0.34 0.00 0.00 178.44 178.74 2wba h ILE 96 N -0.40 1.25 -0.57 4.05 1.08 -0.86 -0.07 117.51 122.00 2wba h ILE 96 Ca 0.07 -0.56 -0.08 0.00 -0.39 0.00 0.00 64.86 63.90 2wba h ILE 96 Cb 0.50 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2wba h ILE 96 CO -0.25 0.27 0.02 0.00 -0.69 0.00 0.00 178.15 177.50 2wba h ALA 97 N 1.30 0.96 -0.32 1.87 0.00 -0.96 0.32 119.26 122.43 2wba h ALA 97 Ca 0.33 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2wba h ALA 97 Cb -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wba h ALA 97 CO -0.06 0.63 -0.45 0.00 0.00 0.00 0.00 179.25 179.37 2wba h ALA 98 N 1.12 0.49 -0.47 0.00 0.00 -0.77 -2.42 119.26 117.21 2wba h ALA 98 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wba h ALA 98 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2wba h ALA 98 CO 0.02 0.64 0.29 -0.22 0.00 0.00 0.00 179.25 179.99 2wba h LYS 99 N 0.67 0.62 -0.82 0.00 3.11 -0.84 -2.13 116.57 117.18 2wba h LYS 99 Ca 0.04 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2wba h LYS 99 Cb 1.05 -0.14 -0.04 0.00 -1.00 0.00 0.00 32.23 32.11 2wba h LYS 99 CO 0.11 0.44 0.51 -0.91 -2.81 0.00 0.00 179.45 176.78 2wba h ASN 100 N 0.63 0.98 0.28 4.20 2.35 -0.83 -0.67 115.58 122.52 2wba h ASN 100 Ca 0.17 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 2wba h ASN 100 Cb -0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 2wba h ASN 100 CO -0.03 0.75 -0.55 -0.08 -1.65 0.00 0.00 177.43 175.86 2wba h GLU 101 N 1.13 0.29 -0.35 0.81 4.57 -1.33 -0.09 114.58 119.60 2wba h GLU 101 Ca 0.30 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 2wba h GLU 101 Cb -0.06 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2wba h GLU 101 CO -0.06 0.76 -0.18 0.00 -1.18 0.00 0.00 179.01 178.36 2wba h ALA 102 N 1.20 0.50 -0.44 2.92 0.00 -0.96 -1.74 119.26 120.74 2wba h ALA 102 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2wba h ALA 102 Cb 1.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2wba h ALA 102 CO 0.09 0.43 0.02 0.28 0.00 0.00 0.00 179.25 180.07 2wba h VAL 103 N 0.53 1.26 -0.86 0.00 2.07 -0.98 -2.92 116.25 115.34 2wba h VAL 103 Ca 0.08 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2wba h VAL 103 Cb 0.72 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2wba h VAL 103 CO 0.05 0.35 0.44 0.25 0.02 0.00 0.00 177.57 178.68 2wba h LEU 104 N 0.62 1.10 -1.27 2.57 5.85 -0.97 -0.23 115.31 122.99 2wba h LEU 104 Ca 0.13 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2wba h LEU 104 Cb 0.46 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2wba h LEU 104 CO 0.02 0.91 0.53 0.44 -0.34 0.00 0.00 178.44 180.00 2wba h ASP 105 N 1.22 0.77 -0.08 1.25 3.32 -1.26 0.61 116.42 122.25 2wba h ASP 105 Ca 0.30 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.27 2wba h ASP 105 Cb 0.07 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2wba h ASP 105 CO -0.04 0.49 -0.30 0.40 -1.72 0.00 0.00 179.24 178.07 2wba h ILE 106 N 0.88 1.41 -0.57 0.35 2.04 -1.09 -2.02 117.51 118.51 2wba h ILE 106 Ca 0.36 -1.67 0.11 0.00 1.00 0.00 0.00 64.86 64.65 2wba h ILE 106 Cb 0.26 2.26 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 2wba h ILE 106 CO -0.13 0.48 -0.24 0.78 0.00 0.00 0.00 178.15 179.04 2wba h ASN 107 N -0.12 -0.85 -0.69 1.72 -0.26 -0.72 -1.78 115.58 112.88 2wba h ASN 107 Ca -0.01 0.20 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 2wba h ASN 107 Cb 0.94 0.47 -0.03 0.00 -1.06 0.00 0.00 38.32 38.63 2wba h ASN 107 CO 0.06 -0.26 0.31 0.11 -1.06 0.00 0.00 177.43 176.60 2wba h LYS 108 N -0.10 1.03 -0.16 0.81 1.57 -0.83 -2.36 116.57 116.54 2wba h LYS 108 Ca 0.26 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2wba h LYS 108 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2wba h LYS 108 CO -0.63 0.82 -0.39 0.66 -0.57 0.00 0.00 179.45 179.33 2wba h SER 109 N 1.02 0.37 -0.46 0.86 4.64 -0.92 -1.54 113.55 117.51 2wba h SER 109 Ca 0.24 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 2wba h SER 109 Cb 0.15 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2wba h SER 109 CO -0.03 0.72 -0.08 1.88 -0.87 0.00 0.00 176.83 178.46 2wba h TYR 110 N 0.30 1.02 0.00 4.77 0.05 -0.84 0.17 116.97 122.43 2wba h TYR 110 Ca 0.03 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.57 2wba h TYR 110 Cb 0.82 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.29 2wba h TYR 110 CO 0.02 0.95 -0.26 1.05 -1.05 0.00 0.00 178.16 178.88 2wba h GLU 111 N 0.84 0.00 -0.36 4.88 4.11 -1.27 -2.50 114.58 120.28 2wba h GLU 111 Ca 0.14 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.44 2wba h GLU 111 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2wba h GLU 111 CO 0.04 0.26 -0.30 0.78 0.07 0.00 0.00 179.01 179.86 2wba h GLY 112 N 2.43 0.84 0.86 1.06 0.00 -0.89 -2.37 103.07 105.00 2wba h GLY 112 Ca -0.00 -0.77 0.01 0.00 0.00 0.00 0.00 47.33 46.57 2wba h GLY 112 CO 0.03 0.70 -0.03 1.98 0.00 0.00 0.00 176.54 179.23 2wba h MET 113 N 0.66 -0.02 -0.45 4.80 1.85 -0.57 -1.99 114.93 119.20 2wba h MET 113 Ca 0.08 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 2wba h MET 113 Cb 0.82 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.84 2wba h MET 113 CO 0.07 -0.01 0.30 0.74 -0.40 0.00 0.00 176.91 177.60 2wba h PHE 114 N -0.02 0.57 -0.46 1.39 0.04 -1.46 -1.31 116.94 115.69 2wba h PHE 114 Ca 0.03 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.90 2wba h PHE 114 Cb 0.07 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 2wba h PHE 114 CO -0.13 0.36 0.31 -0.91 -0.60 0.00 0.00 178.31 177.35 2wba h ASN 115 N 0.61 0.21 0.18 2.17 2.35 -1.26 -2.98 115.58 116.87 2wba h ASN 115 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2wba h ASN 115 Cb -0.07 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2wba h ASN 115 CO -0.04 0.13 -1.45 0.47 -1.65 0.00 0.00 177.43 174.90 2wba n ASP 116 N -4.46 0.45 -4.52 5.81 8.00 -0.76 -4.90 116.55 116.16 2wba n ASP 116 Ca 0.07 -0.26 -0.39 0.00 0.71 0.00 0.00 54.79 54.92 2wba n ASP 116 Cb 0.36 1.35 -0.11 0.00 -0.02 0.00 0.00 41.12 42.70 2wba n ASP 116 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wba s THR 117 N -3.31 5.09 0.18 -3.53 2.01 -0.53 -5.07 115.64 110.49 2wba s THR 117 Ca -0.01 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 2wba s THR 117 Cb 0.14 -3.55 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 2wba s THR 117 CO 0.86 0.10 1.22 -0.70 -0.69 0.00 0.00 174.62 175.41 2wba s GLU 118 N 1.70 4.47 -0.08 4.92 2.56 -1.26 -2.93 118.70 128.08 2wba s GLU 118 Ca 0.06 1.91 0.00 0.00 0.00 0.00 0.00 54.97 56.94 2wba s GLU 118 Cb -0.17 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.72 2wba s GLU 118 CO 0.09 -0.13 0.00 0.41 -0.56 0.00 0.00 175.26 175.07 2wba n GLY 119 N 2.29 0.46 2.83 -1.50 0.00 -1.26 -4.88 105.19 103.13 2wba n GLY 119 Ca 0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2wba n GLY 119 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wba s LEU 120 N -0.17 2.64 -0.02 0.99 2.96 -1.15 0.54 118.68 124.47 2wba s LEU 120 Ca 0.00 -1.54 0.06 0.00 -0.22 0.00 0.00 54.13 52.43 2wba s LEU 120 Cb 0.00 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2wba s LEU 120 CO 0.00 -0.36 -0.20 -1.81 -1.32 0.00 0.00 176.35 172.67 2wba s ASP 121 N 1.47 3.60 -0.10 3.68 1.01 -0.18 -4.74 116.67 121.40 2wba s ASP 121 Ca 0.05 -0.35 -0.10 0.00 0.71 0.00 0.00 52.55 52.87 2wba s ASP 121 Cb -0.18 -0.60 -0.05 0.00 1.01 0.00 0.00 42.92 43.10 2wba s ASP 121 CO -0.16 0.32 0.23 0.12 0.21 0.00 0.00 175.17 175.89 2wba s PHE 122 N -0.72 3.60 -0.17 4.23 5.36 -1.26 -1.02 117.98 128.00 2wba s PHE 122 Ca 0.11 0.64 0.00 0.00 -0.96 0.00 0.00 56.93 56.72 2wba s PHE 122 Cb -0.10 -2.10 0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2wba s PHE 122 CO 0.01 0.61 -0.11 -0.06 -1.46 0.00 0.00 175.22 174.21 2wba s PHE 123 N -0.73 2.21 0.02 10.12 0.08 -0.01 -4.94 117.98 124.74 2wba s PHE 123 Ca 0.17 -1.37 -0.30 0.00 0.12 0.00 0.00 56.93 55.55 2wba s PHE 123 Cb -0.13 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2wba s PHE 123 CO 0.06 -0.69 1.22 -1.17 -0.10 0.00 0.00 175.22 174.54 2wba s LEU 124 N 1.47 4.33 0.00 -0.37 0.20 -1.26 -2.84 118.68 120.21 2wba s LEU 124 Ca 0.02 1.96 0.00 0.00 0.69 0.00 0.00 54.13 56.80 2wba s LEU 124 Cb -0.15 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.04 2wba s LEU 124 CO -0.09 -0.53 0.00 0.61 -0.29 0.00 0.00 176.35 176.04 2wba n GLY 125 N 3.31 0.18 3.48 7.98 0.00 -0.44 -4.92 105.19 114.79 2wba n GLY 125 Ca 0.10 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.00 2wba n GLY 125 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wba s TRP 126 N -1.93 3.17 0.21 1.61 0.52 0.14 -3.42 118.94 119.23 2wba s TRP 126 Ca 0.00 -0.36 -0.20 0.00 0.02 0.00 0.00 56.10 55.56 2wba s TRP 126 Cb 0.00 -2.35 -0.08 0.00 -1.15 0.00 0.00 33.47 29.89 2wba s TRP 126 CO 0.00 -0.37 0.71 0.20 0.02 0.00 0.00 176.95 177.52 2wba s GLY 127 N 1.65 2.63 0.27 0.98 0.00 -1.26 -1.12 107.32 110.47 2wba s GLY 127 Ca 0.06 0.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.80 2wba s GLY 127 CO 0.07 0.53 0.54 -1.35 0.00 0.00 0.00 173.10 172.88 2wba s SER 128 N -1.59 -0.05 -0.34 1.64 1.04 -0.58 -4.53 113.70 109.29 2wba s SER 128 Ca 0.42 -0.92 -0.16 0.00 0.48 0.00 0.00 55.95 55.76 2wba s SER 128 Cb -0.17 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 2wba s SER 128 CO 0.21 -1.22 0.43 -0.76 0.98 0.00 0.00 173.24 172.89 2wba s LEU 129 N -3.02 4.39 -0.12 2.42 1.43 0.14 -1.55 118.68 122.37 2wba s LEU 129 Ca 0.21 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.12 2wba s LEU 129 Cb -0.02 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2wba s LEU 129 CO 0.10 -0.40 0.05 -0.08 0.23 0.00 0.00 176.35 176.25 2wba h GLU 130 N 8.45 0.00 0.00 1.70 4.81 -1.72 -3.44 114.58 124.38 2wba h GLU 130 Ca -0.29 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.81 2wba h GLU 130 Cb 1.14 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 2wba h GLU 130 CO 0.73 0.16 -0.12 -1.13 -0.73 0.00 0.00 179.01 177.92 2wba n SER 131 N -4.71 0.63 0.00 1.04 3.41 -1.18 -4.79 113.62 108.03 2wba n SER 131 Ca -0.04 -1.55 0.11 0.00 -0.26 0.00 0.00 58.87 57.13 2wba n SER 131 Cb 0.15 0.31 0.49 0.00 -0.26 0.00 0.00 64.21 64.90 2wba n SER 131 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2wba n LYS 132 N -0.21 0.11 0.00 4.33 2.85 -1.26 -2.85 118.16 121.12 2wba n LYS 132 Ca -0.00 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2wba n LYS 132 Cb 0.15 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 2wba n LYS 132 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2wba n ASN 133 N -1.43 1.39 -3.92 -5.58 4.13 -1.26 -4.89 115.26 103.70 2wba n ASN 133 Ca 0.07 -1.39 -0.25 0.00 1.68 0.00 0.00 54.58 54.69 2wba n ASN 133 Cb 0.23 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.30 2wba n ASN 133 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wba s VAL 134 N -0.39 0.93 -0.24 2.41 1.01 -1.13 -0.57 120.40 122.41 2wba s VAL 134 Ca 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 2wba s VAL 134 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2wba s VAL 134 CO 0.00 0.34 0.12 -0.69 0.00 0.00 0.00 175.10 174.87 2wba s VAL 135 N 1.34 4.94 -0.12 2.92 1.01 0.13 -1.95 120.40 128.67 2wba s VAL 135 Ca -0.03 0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2wba s VAL 135 Cb -0.14 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2wba s VAL 135 CO -0.04 0.35 0.27 0.54 0.00 0.00 0.00 175.10 176.23 2wba s VAL 136 N 1.19 5.30 -0.28 2.92 0.11 -0.59 0.00 120.40 129.05 2wba s VAL 136 Ca 0.06 0.51 -0.06 0.00 -2.93 0.00 0.00 61.98 59.56 2wba s VAL 136 Cb -0.14 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 2wba s VAL 136 CO 0.05 0.49 0.05 -0.69 -3.33 0.00 0.00 175.10 171.67 2wba s VAL 137 N -0.26 3.86 0.39 2.04 1.01 0.36 -1.52 120.40 126.27 2wba s VAL 137 Ca 0.17 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.61 2wba s VAL 137 Cb -0.13 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2wba s VAL 137 CO 0.06 0.17 0.26 -0.13 0.00 0.00 0.00 175.10 175.45 2wba s ARG 138 N 1.50 2.42 0.16 2.72 0.52 -0.27 -0.11 118.95 125.89 2wba s ARG 138 Ca 0.03 -1.61 -0.08 0.00 -0.52 0.00 0.00 55.73 53.56 2wba s ARG 138 Cb -0.16 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.10 2wba s ARG 138 CO 0.01 -0.07 1.48 0.93 0.02 0.00 0.00 175.30 177.68 2wba h GLU 139 N 1.29 0.81 -4.99 3.54 5.08 -1.60 0.42 114.58 119.12 2wba h GLU 139 Ca -0.43 -0.46 -0.56 0.00 -1.00 0.00 0.00 59.36 56.92 2wba h GLU 139 Cb 1.26 0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 2wba h GLU 139 CO 0.63 1.09 -0.49 0.95 -1.00 0.00 0.00 179.01 180.18 2wba s THR 140 N -4.24 0.37 0.27 1.13 -4.23 -1.26 -4.61 115.64 103.07 2wba s THR 140 Ca -0.10 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.72 2wba s THR 140 Cb 0.11 -2.33 0.33 0.00 1.34 0.00 0.00 72.50 71.95 2wba s THR 140 CO 0.87 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.96 2wba h ALA 141 N 1.81 1.09 -2.35 3.99 0.00 -1.94 -3.43 119.26 118.43 2wba h ALA 141 Ca -0.31 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.97 2wba h ALA 141 Cb 1.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2wba h ALA 141 CO 0.49 0.12 1.16 0.34 0.00 0.00 0.00 179.25 181.36 2wba s ASP 142 N -5.91 6.52 0.54 0.00 -1.08 -1.26 -4.87 116.67 110.61 2wba s ASP 142 Ca -0.01 2.55 0.37 0.00 -0.52 0.00 0.00 52.55 54.93 2wba s ASP 142 Cb 0.11 -2.54 1.98 0.00 -1.46 0.00 0.00 42.92 41.01 2wba s ASP 142 CO 0.57 -1.00 2.12 -0.65 0.52 0.00 0.00 175.17 176.72 2wba h PRO 143 N 9.92 0.00 -0.58 4.34 0.11 -1.96 -1.79 132.00 142.04 2wba h PRO 143 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wba h PRO 143 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wba h PRO 143 CO 0.94 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 2wba n LYS 144 N -2.79 2.41 -2.00 1.05 5.02 -1.26 -4.96 118.16 115.63 2wba n LYS 144 Ca -0.02 -2.18 -0.29 0.00 -2.02 0.00 0.00 58.31 53.79 2wba n LYS 144 Cb 0.06 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.64 2wba n LYS 144 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wba s SER 145 N -1.07 5.27 0.34 4.39 1.04 -0.68 -5.00 113.70 117.99 2wba s SER 145 Ca 0.41 0.95 -0.29 0.00 0.48 0.00 0.00 55.95 57.50 2wba s SER 145 Cb 0.21 -1.72 -0.10 0.00 0.10 0.00 0.00 66.02 64.51 2wba s SER 145 CO 0.28 -1.40 1.35 0.00 0.98 0.00 0.00 173.24 174.45 2wba s ALA 146 N -3.32 3.52 -0.09 5.32 0.00 -1.26 -4.69 121.76 121.24 2wba s ALA 146 Ca 0.58 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 2wba s ALA 146 Cb -0.11 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2wba s ALA 146 CO 0.50 -0.74 1.18 0.08 0.00 0.00 0.00 175.76 176.78 2wba s VAL 147 N -1.07 4.34 -0.15 0.00 1.01 -1.26 -1.69 120.40 121.57 2wba s VAL 147 Ca 0.50 1.64 -0.13 0.00 0.00 0.00 0.00 61.98 64.00 2wba s VAL 147 Cb -0.41 -4.06 -0.24 0.00 0.00 0.00 0.00 36.38 31.67 2wba s VAL 147 CO 0.55 -0.03 0.32 0.11 0.00 0.00 0.00 175.10 176.04 2wba h LYS 148 N 7.55 0.17 -2.90 2.72 1.57 -0.83 -3.48 116.57 121.37 2wba h LYS 148 Ca -0.32 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.06 2wba h LYS 148 Cb 1.14 0.11 -0.21 0.00 0.08 0.00 0.00 32.23 33.35 2wba h LYS 148 CO 0.90 1.14 -0.25 -1.21 -0.57 0.00 0.00 179.45 179.46 2wba s GLU 149 N -2.48 0.61 -0.16 3.15 0.41 -0.97 -5.01 118.70 114.25 2wba s GLU 149 Ca -0.25 0.08 -0.00 0.00 -0.41 0.00 0.00 54.97 54.39 2wba s GLU 149 Cb 0.06 0.28 -0.00 0.00 -1.78 0.00 0.00 34.13 32.69 2wba s GLU 149 CO 0.70 -0.15 -0.14 1.03 -0.49 0.00 0.00 175.26 176.22 2wba s ARG 150 N -0.79 3.25 -0.23 1.61 0.52 -1.26 -0.49 118.95 121.56 2wba s ARG 150 Ca -0.09 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 2wba s ARG 150 Cb -0.04 -2.68 -0.00 0.00 0.52 0.00 0.00 34.95 32.74 2wba s ARG 150 CO 0.03 -0.01 -0.05 -0.51 0.02 0.00 0.00 175.30 174.79 2wba s LEU 151 N 0.90 2.93 -0.02 2.53 1.43 0.10 -2.00 118.68 124.55 2wba s LEU 151 Ca -0.03 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2wba s LEU 151 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2wba s LEU 151 CO -0.01 -0.04 0.99 -1.10 0.23 0.00 0.00 176.35 176.42 2wba s GLN 152 N 1.45 4.53 -0.05 1.70 -1.52 0.14 -0.69 119.66 125.22 2wba s GLN 152 Ca 0.05 1.43 0.01 0.00 -1.95 0.00 0.00 55.36 54.90 2wba s GLN 152 Cb -0.15 -3.47 0.02 0.00 -0.22 0.00 0.00 33.01 29.20 2wba s GLN 152 CO -0.04 -0.10 -0.06 0.00 -0.25 0.00 0.00 175.29 174.84 2wba s ALA 153 N 1.18 0.80 0.16 6.09 0.00 0.26 -0.39 121.76 129.85 2wba s ALA 153 Ca 0.52 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 2wba s ALA 153 Cb -0.21 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2wba s ALA 153 CO 0.26 -0.03 1.60 -0.44 0.00 0.00 0.00 175.76 177.15 2wba h ASP 154 N 7.25 0.91 -3.95 0.00 5.19 -1.39 -3.42 116.42 121.00 2wba h ASP 154 Ca -0.35 -0.32 -0.38 0.00 -0.62 0.00 0.00 57.03 55.36 2wba h ASP 154 Cb 1.16 -0.25 -0.29 0.00 0.18 0.00 0.00 39.33 40.13 2wba h ASP 154 CO 0.46 1.01 -0.77 -1.00 -3.12 0.00 0.00 179.24 175.82 2wba s HIS 155 N -4.97 0.72 -0.12 4.55 3.76 -0.48 -4.82 115.29 113.94 2wba s HIS 155 Ca -0.12 -0.14 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2wba s HIS 155 Cb 0.12 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 33.34 2wba s HIS 155 CO 0.83 -0.03 -0.22 0.42 -0.85 0.00 0.00 174.74 174.89 2wba s ILE 156 N -0.09 2.02 -0.21 0.60 1.01 -0.02 -1.05 121.20 123.46 2wba s ILE 156 Ca 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 2wba s ILE 156 Cb -0.04 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2wba s ILE 156 CO -0.00 0.55 0.00 -0.22 0.00 0.00 0.00 174.94 175.27 2wba s LEU 157 N 0.59 3.24 -0.39 2.97 2.96 0.32 -1.06 118.68 127.31 2wba s LEU 157 Ca -0.13 -0.22 -0.21 0.00 -0.22 0.00 0.00 54.13 53.35 2wba s LEU 157 Cb -0.17 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.71 2wba s LEU 157 CO 0.03 0.04 0.66 -0.76 -1.32 0.00 0.00 176.35 175.01 2wba s LEU 158 N 1.12 4.32 -0.33 -0.68 1.43 0.10 -0.78 118.68 123.86 2wba s LEU 158 Ca 0.03 -0.01 0.17 0.00 -1.03 0.00 0.00 54.13 53.28 2wba s LEU 158 Cb -0.14 -2.80 0.45 0.00 0.03 0.00 0.00 46.19 43.73 2wba s LEU 158 CO 0.01 -0.69 0.97 0.00 0.23 0.00 0.00 176.35 176.88 2wba n ALA 159 N 6.20 3.17 1.27 4.21 0.00 0.11 -2.39 120.51 133.08 2wba n ALA 159 Ca -0.01 -3.00 0.13 0.00 0.00 0.00 0.00 53.44 50.56 2wba n ALA 159 Cb 0.48 -0.94 0.37 0.00 0.00 0.00 0.00 19.45 19.36 2wba n ALA 159 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wba n THR 160 N -0.08 0.05 -4.50 0.00 -2.24 -1.19 -4.25 114.28 102.08 2wba n THR 160 Ca 0.09 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2wba n THR 160 Cb 0.81 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 2wba n THR 160 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wba n GLY 161 N 1.24 1.02 2.71 3.38 0.00 -1.26 -4.65 105.19 107.62 2wba n GLY 161 Ca 0.17 -0.75 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2wba n GLY 161 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wba n SER 162 N 0.85 0.58 -3.71 1.61 3.41 -1.26 -0.87 113.62 114.22 2wba n SER 162 Ca 0.00 -2.78 -0.14 0.00 -0.26 0.00 0.00 58.87 55.68 2wba n SER 162 Cb 0.00 1.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.89 2wba n SER 162 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wba s TRP 163 N -2.91 -0.30 0.31 7.33 -0.11 -0.31 -4.77 118.94 118.17 2wba s TRP 163 Ca 0.22 0.53 -0.29 0.00 1.22 0.00 0.00 56.10 57.78 2wba s TRP 163 Cb 0.01 0.16 -0.11 0.00 -1.50 0.00 0.00 33.47 32.03 2wba s TRP 163 CO 0.16 -0.41 1.52 -2.14 -4.62 0.00 0.00 176.95 171.46 2wba s PRO 164 N -1.11 4.16 0.06 5.86 0.02 -1.26 -0.74 135.00 141.99 2wba s PRO 164 Ca -0.11 2.51 -0.26 0.00 0.02 0.00 0.00 61.00 63.15 2wba s PRO 164 Cb -0.04 -3.03 -0.06 0.00 0.02 0.00 0.00 34.50 31.40 2wba s PRO 164 CO 0.05 -0.54 0.80 -1.14 -0.33 0.00 0.00 177.00 175.84 2wba s GLN 165 N -0.97 4.54 -0.06 5.54 0.74 0.28 -4.80 119.66 124.93 2wba s GLN 165 Ca 0.59 1.14 0.05 0.00 0.05 0.00 0.00 55.36 57.20 2wba s GLN 165 Cb -0.46 -3.36 -0.01 0.00 1.10 0.00 0.00 33.01 30.28 2wba s GLN 165 CO 0.51 0.27 -0.23 -1.64 -0.55 0.00 0.00 175.29 173.65 2wba s MET 166 N -0.06 2.63 0.41 1.67 -1.94 -1.26 -4.50 119.30 116.24 2wba s MET 166 Ca 0.40 -0.87 -0.23 0.00 -1.71 0.00 0.00 55.69 53.28 2wba s MET 166 Cb -0.21 -2.22 -0.09 0.00 2.01 0.00 0.00 34.83 34.32 2wba s MET 166 CO 0.24 0.38 1.02 -1.25 -0.01 0.00 0.00 175.02 175.40 2wba s PRO 167 N -0.15 4.17 -1.30 2.03 0.04 -1.26 -4.96 135.00 133.57 2wba s PRO 167 Ca -0.04 1.40 -0.16 0.00 0.04 0.00 0.00 61.00 62.25 2wba s PRO 167 Cb -0.14 -2.45 0.10 0.00 0.04 0.00 0.00 34.50 32.05 2wba s PRO 167 CO 0.04 -0.12 1.73 0.00 0.04 0.00 0.00 177.00 178.69 2wba n ALA 168 N -0.22 3.97 -2.43 8.56 0.00 -1.26 -4.85 120.51 124.27 2wba n ALA 168 Ca 0.06 -3.98 -0.26 0.00 0.00 0.00 0.00 53.44 49.25 2wba n ALA 168 Cb 0.51 -3.43 -0.11 0.00 0.00 0.00 0.00 19.45 16.42 2wba n ALA 168 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2wba s ILE 169 N 3.23 2.39 0.18 0.00 -4.36 -1.26 -5.10 121.20 116.27 2wba s ILE 169 Ca 0.50 -2.09 -0.33 0.00 -0.26 0.00 0.00 60.65 58.46 2wba s ILE 169 Cb 0.04 -2.16 -0.14 0.00 1.25 0.00 0.00 42.46 41.45 2wba s ILE 169 CO 0.04 -0.17 1.59 -2.65 0.24 0.00 0.00 174.94 173.99 2wba n PRO 170 N 0.11 2.24 -0.70 0.37 -0.02 -1.26 -2.51 135.00 133.23 2wba n PRO 170 Ca -0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2wba n PRO 170 Cb 0.57 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 2wba n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wba n GLY 171 N 3.37 0.59 0.27 -1.23 0.00 -1.24 -1.00 105.19 105.95 2wba n GLY 171 Ca 0.16 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2wba n GLY 171 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2wba h ILE 172 N 0.00 0.81 0.00 -0.61 6.09 -1.78 -1.75 117.51 120.27 2wba h ILE 172 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 2wba h ILE 172 Cb 0.00 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.39 2wba h ILE 172 CO 0.00 0.04 0.00 1.05 -3.07 0.00 0.00 178.15 176.17 2wba h GLU 173 N 0.00 0.00 -0.01 2.19 9.09 -1.92 -1.26 114.58 122.67 2wba h GLU 173 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wba h GLU 173 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 2wba h GLU 173 CO 0.01 0.00 -0.09 0.72 0.05 0.00 0.00 179.01 179.69 2wba n HIS 174 N -2.79 0.00 -4.09 2.06 8.25 -0.66 -4.91 115.22 113.08 2wba n HIS 174 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 2wba n HIS 174 Cb 0.15 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.16 2wba n HIS 174 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wba s ILE 176 N -2.10 1.10 0.35 0.00 -4.36 -0.06 -5.00 121.20 111.13 2wba s ILE 176 Ca 0.33 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2wba s ILE 176 Cb -0.08 -2.39 -0.00 0.00 1.25 0.00 0.00 42.46 41.24 2wba s ILE 176 CO 0.26 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 173.90 2wba n SER 177 N -1.18 2.97 -0.12 4.36 3.41 -1.26 -0.37 113.62 121.43 2wba n SER 177 Ca -0.12 -2.53 0.12 0.00 -0.26 0.00 0.00 58.87 56.09 2wba n SER 177 Cb 0.66 0.24 0.48 0.00 -0.26 0.00 0.00 64.21 65.33 2wba n SER 177 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wba h SER 178 N 0.84 0.42 -0.34 4.04 4.64 -1.95 -2.51 113.55 118.68 2wba h SER 178 Ca -0.29 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.12 2wba h SER 178 Cb 0.88 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 62.81 2wba h SER 178 CO 0.48 0.25 -0.21 0.78 -0.87 0.00 0.00 176.83 177.26 2wba h ASN 179 N 0.47 -0.69 0.38 4.97 2.35 -1.95 -2.53 115.58 118.57 2wba h ASN 179 Ca 0.31 0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 56.02 2wba h ASN 179 Cb 0.57 0.36 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 2wba h ASN 179 CO -0.09 -0.24 -0.75 -0.33 -1.65 0.00 0.00 177.43 174.37 2wba h GLU 180 N -0.16 0.30 -0.86 0.81 3.07 -1.87 -3.12 114.58 112.75 2wba h GLU 180 Ca 0.17 -0.26 0.20 0.00 -0.50 0.00 0.00 59.36 58.98 2wba h GLU 180 Cb 0.43 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.34 2wba h GLU 180 CO -0.44 0.92 0.58 0.00 -1.40 0.00 0.00 179.01 178.66 2wba h ALA 181 N 1.01 2.30 0.00 3.43 0.00 -1.05 0.24 119.26 125.19 2wba h ALA 181 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wba h ALA 181 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wba h ALA 181 CO 0.12 -0.56 0.00 1.19 0.00 0.00 0.00 179.25 180.00 2wba n PHE 182 N -4.46 0.84 -0.23 0.00 3.72 -1.11 -3.41 117.46 112.81 2wba n PHE 182 Ca 0.18 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 2wba n PHE 182 Cb 0.71 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 2wba n PHE 182 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wba n TYR 183 N -2.28 0.00 -1.63 1.38 4.01 0.82 -5.00 117.16 114.45 2wba n TYR 183 Ca 0.02 -0.32 -0.51 0.00 -0.16 0.00 0.00 57.90 56.92 2wba n TYR 183 Cb 0.20 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 2wba n TYR 183 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2wba n LEU 184 N -0.32 2.16 0.12 7.72 4.77 -0.97 -4.86 117.00 125.62 2wba n LEU 184 Ca 0.00 1.10 0.01 0.00 -0.03 0.00 0.00 56.01 57.09 2wba n LEU 184 Cb 0.27 -1.25 0.32 0.00 -2.33 0.00 0.00 43.42 40.43 2wba n LEU 184 CO 0.00 -0.75 0.76 -0.65 -1.33 0.00 0.00 177.39 175.42 2wba h PRO 185 N 5.41 0.19 -3.98 3.23 0.11 -1.95 -3.45 132.00 131.56 2wba h PRO 185 Ca -0.47 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.45 2wba h PRO 185 Cb 1.31 -0.01 -0.17 0.00 0.11 0.00 0.00 31.00 32.24 2wba h PRO 185 CO 0.83 0.47 -0.59 -1.83 -0.21 0.00 0.00 178.00 176.68 2wba s GLU 186 N -4.38 0.59 0.08 1.05 -1.05 -1.26 -4.69 118.70 109.04 2wba s GLU 186 Ca -0.04 -0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 53.55 2wba s GLU 186 Cb 0.14 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 2wba s GLU 186 CO 0.75 -0.13 1.08 -1.25 0.95 0.00 0.00 175.26 176.65 2wba s PRO 187 N -3.06 4.55 0.27 -4.83 0.04 -1.26 -4.99 135.00 125.72 2wba s PRO 187 Ca -0.01 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.34 2wba s PRO 187 Cb 0.02 -3.36 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 2wba s PRO 187 CO -0.07 -0.04 1.40 -1.25 0.04 0.00 0.00 177.00 177.09 2wba s PRO 188 N 0.50 4.29 0.05 0.56 0.04 -1.26 -4.58 135.00 134.60 2wba s PRO 188 Ca 0.53 2.28 -0.20 0.00 0.04 0.00 0.00 61.00 63.64 2wba s PRO 188 Cb -0.26 -3.10 -0.14 0.00 0.04 0.00 0.00 34.50 31.04 2wba s PRO 188 CO 0.30 -0.37 1.37 -0.09 0.04 0.00 0.00 177.00 178.26 2wba h ARG 189 N 4.66 0.37 -5.65 4.56 2.43 -1.94 -3.40 114.38 115.41 2wba h ARG 189 Ca -0.47 -0.18 -0.65 0.00 -0.81 0.00 0.00 59.98 57.87 2wba h ARG 189 Cb 1.22 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.45 2wba h ARG 189 CO 0.75 0.73 -0.87 1.03 -1.51 0.00 0.00 179.97 180.09 2wba s ARG 190 N -4.39 2.41 -0.00 0.20 0.52 -1.26 -1.05 118.95 115.37 2wba s ARG 190 Ca -0.14 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 2wba s ARG 190 Cb 0.06 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2wba s ARG 190 CO 0.75 0.30 -0.00 0.54 0.02 0.00 0.00 175.30 176.91 2wba s VAL 191 N 0.01 0.03 -0.22 3.52 0.11 -1.04 -0.53 120.40 122.28 2wba s VAL 191 Ca -0.07 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2wba s VAL 191 Cb -0.14 -0.03 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 2wba s VAL 191 CO 0.04 0.01 0.04 -0.22 -3.33 0.00 0.00 175.10 171.64 2wba s LEU 192 N 0.00 3.39 -0.23 2.54 2.96 -0.23 -1.47 118.68 125.65 2wba s LEU 192 Ca 0.00 -0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 2wba s LEU 192 Cb -0.00 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2wba s LEU 192 CO -0.00 0.03 0.20 0.42 -1.32 0.00 0.00 176.35 175.68 2wba s THR 193 N 1.21 5.33 -0.33 3.68 -4.23 -0.05 -0.04 115.64 121.22 2wba s THR 193 Ca 0.04 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 2wba s THR 193 Cb -0.14 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 2wba s THR 193 CO 0.02 0.33 0.21 -0.69 -0.54 0.00 0.00 174.62 173.96 2wba s VAL 194 N 1.07 5.08 0.00 2.29 1.01 0.55 -1.23 120.40 129.16 2wba s VAL 194 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2wba s VAL 194 Cb -0.14 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2wba s VAL 194 CO 0.05 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2wba n GLY 195 N 5.06 3.93 0.33 4.51 0.00 0.51 -0.40 105.19 119.14 2wba n GLY 195 Ca -0.13 -1.67 0.03 0.00 0.00 0.00 0.00 46.02 44.24 2wba n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wba n GLY 196 N -1.55 2.88 1.27 -0.02 0.00 -1.26 -4.55 105.19 101.96 2wba n GLY 196 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2wba n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wba n GLY 197 N 0.03 -0.56 0.23 -0.02 0.00 -1.26 -0.42 105.19 103.19 2wba n GLY 197 Ca 0.06 -1.79 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 2wba n GLY 197 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wba h PHE 198 N -0.97 0.66 -0.47 1.61 -0.00 -1.96 -2.57 116.94 113.23 2wba h PHE 198 Ca -0.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.97 57.63 2wba h PHE 198 Cb 0.39 -0.15 -0.02 0.00 -0.00 0.00 0.00 35.95 36.18 2wba h PHE 198 CO 0.00 0.84 0.15 0.82 -0.00 0.00 0.00 178.31 180.12 2wba h ILE 199 N 0.47 1.22 -0.59 0.88 2.04 -1.94 0.10 117.51 119.70 2wba h ILE 199 Ca 0.05 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 2wba h ILE 199 Cb 0.84 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2wba h ILE 199 CO 0.07 0.27 0.06 -1.28 0.00 0.00 0.00 178.15 177.28 2wba h SER 200 N 0.63 0.96 -0.37 1.72 0.87 -1.81 -1.27 113.55 114.28 2wba h SER 200 Ca 0.15 -0.28 -0.16 0.00 -1.23 0.00 0.00 61.79 60.27 2wba h SER 200 Cb 0.27 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2wba h SER 200 CO -0.01 0.99 -0.41 0.58 -0.53 0.00 0.00 176.83 177.46 2wba h VAL 201 N 0.89 1.27 -0.16 2.23 2.07 -1.33 -1.92 116.25 119.30 2wba h VAL 201 Ca 0.17 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2wba h VAL 201 Cb 0.46 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2wba h VAL 201 CO 0.02 0.53 0.06 -0.33 0.02 0.00 0.00 177.57 177.86 2wba h GLU 202 N 0.74 0.24 -0.23 1.57 5.08 -0.64 -2.95 114.58 118.39 2wba h GLU 202 Ca 0.05 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 2wba h GLU 202 Cb 1.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2wba h GLU 202 CO 0.10 0.33 -0.39 0.74 -1.00 0.00 0.00 179.01 178.80 2wba h PHE 203 N 0.09 0.62 -0.68 4.33 0.04 -1.28 -2.71 116.94 117.35 2wba h PHE 203 Ca 0.05 -0.17 0.11 0.00 2.80 0.00 0.00 57.97 60.76 2wba h PHE 203 Cb 0.19 -0.14 -0.08 0.00 2.20 0.00 0.00 35.95 38.12 2wba h PHE 203 CO -0.01 0.83 0.27 0.00 -0.60 0.00 0.00 178.31 178.81 2wba h ALA 204 N 1.15 0.91 -0.22 2.45 0.00 -1.31 0.17 119.26 122.40 2wba h ALA 204 Ca 0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2wba h ALA 204 Cb 0.87 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2wba h ALA 204 CO 0.07 -0.18 -0.27 0.78 0.00 0.00 0.00 179.25 179.66 2wba h GLY 205 N 0.45 0.45 0.57 0.00 0.00 -1.34 -0.16 103.07 103.05 2wba h GLY 205 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2wba h GLY 205 CO -0.34 0.34 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 2wba h ILE 206 N 0.37 1.30 -0.58 2.60 2.04 -1.05 -3.02 117.51 119.17 2wba h ILE 206 Ca 0.05 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2wba h ILE 206 Cb 0.67 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 2wba h ILE 206 CO 0.05 0.25 0.22 -0.26 0.00 0.00 0.00 178.15 178.41 2wba h PHE 207 N -0.45 0.86 -0.21 1.37 0.04 -0.97 -2.67 116.94 114.90 2wba h PHE 207 Ca -0.00 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 2wba h PHE 207 Cb 0.43 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 2wba h PHE 207 CO 0.07 0.67 0.09 -0.97 -0.60 0.00 0.00 178.31 177.57 2wba h ASN 208 N 0.84 0.25 0.54 2.17 -1.24 -1.02 -1.33 115.58 115.79 2wba h ASN 208 Ca 0.20 -0.02 -0.29 0.00 0.71 0.00 0.00 56.30 56.90 2wba h ASN 208 Cb 0.18 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2wba h ASN 208 CO -0.02 0.23 -1.49 0.00 -1.29 0.00 0.00 177.43 174.86 2wba h ALA 209 N 1.82 0.38 -0.05 1.57 0.00 -1.36 -3.35 119.26 118.26 2wba h ALA 209 Ca 0.08 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.84 2wba h ALA 209 Cb 0.05 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wba h ALA 209 CO -0.01 1.24 0.00 0.66 0.00 0.00 0.00 179.25 181.14 2wba n TYR 210 N -3.37 0.04 -1.86 0.00 4.01 -1.03 -4.87 117.16 110.08 2wba n TYR 210 Ca -0.14 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 2wba n TYR 210 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.04 2wba n TYR 210 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2wba s LYS 211 N -1.96 4.17 1.07 -0.72 -2.85 -0.52 -4.80 119.74 114.14 2wba s LYS 211 Ca 0.32 2.48 -0.12 0.00 -1.00 0.00 0.00 55.97 57.65 2wba s LYS 211 Cb 0.20 -3.06 0.23 0.00 -2.06 0.00 0.00 37.83 33.15 2wba s LYS 211 CO 0.31 -0.57 1.06 -1.25 0.10 0.00 0.00 175.35 175.00 2wba s PRO 212 N -0.28 -0.20 0.62 1.78 0.04 -1.26 -4.87 135.00 130.83 2wba s PRO 212 Ca 0.63 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.41 2wba s PRO 212 Cb -0.46 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2wba s PRO 212 CO 0.45 -3.27 1.28 -2.30 0.04 0.00 0.00 177.00 173.20 2wba n PRO 213 N -4.61 1.25 -1.59 0.56 -0.02 -1.26 -2.46 135.00 126.86 2wba n PRO 213 Ca 0.05 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.92 2wba n PRO 213 Cb 0.54 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2wba n PRO 213 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wba n GLY 214 N 0.92 0.67 3.92 -1.23 0.00 -1.26 -5.02 105.19 103.18 2wba n GLY 214 Ca 0.14 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 2wba n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wba s GLY 215 N -2.80 1.50 -0.16 -0.02 0.00 -1.03 -4.90 107.32 99.91 2wba s GLY 215 Ca 0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 44.72 44.02 2wba s GLY 215 CO 0.00 -0.45 0.38 1.25 0.00 0.00 0.00 173.10 174.29 2wba s LYS 216 N -4.72 0.34 -0.19 2.90 2.47 -0.22 -5.00 119.74 115.33 2wba s LYS 216 Ca 0.48 0.80 -0.07 0.00 -1.56 0.00 0.00 55.97 55.62 2wba s LYS 216 Cb -0.10 0.03 -0.04 0.00 -1.46 0.00 0.00 37.83 36.26 2wba s LYS 216 CO 0.43 -0.19 0.05 0.08 0.16 0.00 0.00 175.35 175.89 2wba s VAL 217 N 1.68 4.64 -0.06 4.02 1.01 -1.26 -2.50 120.40 127.93 2wba s VAL 217 Ca -0.07 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2wba s VAL 217 Cb -0.10 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2wba s VAL 217 CO -0.12 0.44 -0.21 -0.89 0.00 0.00 0.00 175.10 174.32 2wba s THR 218 N 0.55 1.78 -0.10 3.92 2.01 -0.54 -1.26 115.64 122.01 2wba s THR 218 Ca 0.03 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.16 2wba s THR 218 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 2wba s THR 218 CO 0.01 0.50 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.01 2wba s LEU 219 N 0.11 2.27 0.10 4.42 0.20 0.62 -0.87 118.68 125.52 2wba s LEU 219 Ca -0.09 -0.48 0.09 0.00 0.69 0.00 0.00 54.13 54.34 2wba s LEU 219 Cb -0.14 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2wba s LEU 219 CO 0.05 0.18 -0.18 0.00 -0.29 0.00 0.00 176.35 176.11 2wba s TYR 221 N -1.10 -0.28 -0.24 0.00 5.04 0.42 -0.36 117.35 120.84 2wba s TYR 221 Ca 0.17 0.69 0.28 0.00 -2.44 0.00 0.00 57.07 55.78 2wba s TYR 221 Cb -0.11 0.05 1.09 0.00 0.35 0.00 0.00 41.96 43.35 2wba s TYR 221 CO 0.09 -0.19 1.83 0.07 -1.34 0.00 0.00 175.55 176.02 2wba h ARG 222 N 6.69 0.00 0.00 4.97 0.11 -1.76 0.05 114.38 124.44 2wba h ARG 222 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2wba h ARG 222 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 2wba h ARG 222 CO 0.38 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.54 2wba n ASN 223 N -2.69 1.39 0.10 0.08 5.03 -1.26 -4.12 115.26 113.78 2wba n ASN 223 Ca 0.02 -0.80 -0.04 0.00 0.87 0.00 0.00 54.58 54.63 2wba n ASN 223 Cb 0.30 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.06 2wba n ASN 223 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.26 174.30 2wba h ASN 224 N 0.00 0.00 -2.89 6.41 -0.00 -1.94 0.11 115.58 117.26 2wba h ASN 224 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.21 2wba h ASN 224 Cb 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 38.32 38.06 2wba h ASN 224 CO 0.00 0.81 -0.29 -0.22 -0.00 0.00 0.00 177.43 177.73 2wba s LEU 225 N -6.92 -0.41 0.96 0.34 2.96 -1.26 -4.75 118.68 109.60 2wba s LEU 225 Ca 0.01 1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.82 2wba s LEU 225 Cb 0.10 1.47 0.17 0.00 0.50 0.00 0.00 46.19 48.44 2wba s LEU 225 CO 0.79 -0.21 1.11 0.27 -1.32 0.00 0.00 176.35 176.99 2wba s ILE 226 N 1.93 2.21 -0.96 6.68 -4.36 -1.26 -4.33 121.20 121.11 2wba s ILE 226 Ca -0.07 0.07 -0.01 0.00 -0.26 0.00 0.00 60.65 60.38 2wba s ILE 226 Cb -0.10 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.44 2wba s ILE 226 CO -0.14 -0.09 0.81 0.18 0.24 0.00 0.00 174.94 175.94 2wba n LEU 227 N -4.31 -3.53 -4.65 0.37 4.77 0.44 -4.82 117.00 105.28 2wba n LEU 227 Ca 0.09 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 55.16 2wba n LEU 227 Cb 0.53 -2.56 -0.00 0.00 -2.33 0.00 0.00 43.42 39.05 2wba n LEU 227 CO 0.52 0.33 0.74 -1.14 -1.33 0.00 0.00 177.39 176.51 2wba n ARG 228 N -3.55 1.73 0.00 3.23 0.63 -1.26 -2.24 116.66 115.19 2wba n ARG 228 Ca -0.19 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.35 2wba n ARG 228 Cb 0.62 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.41 2wba n ARG 228 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wba n GLY 229 N 0.99 2.79 3.97 5.14 0.00 -1.26 -5.05 105.19 111.76 2wba n GLY 229 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2wba n GLY 229 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wba s PHE 230 N -2.65 3.31 0.19 1.61 0.40 -0.95 -4.87 117.98 115.03 2wba s PHE 230 Ca 0.00 0.03 -0.33 0.00 -0.60 0.00 0.00 56.93 56.03 2wba s PHE 230 Cb 0.00 -1.90 -0.15 0.00 0.51 0.00 0.00 43.02 41.49 2wba s PHE 230 CO 0.00 0.09 1.32 -3.47 0.70 0.00 0.00 175.22 173.87 2wba n ASP 231 N -1.67 2.14 -0.22 1.36 -0.08 -1.26 -4.79 116.55 112.03 2wba n ASP 231 Ca -0.04 1.13 -0.09 0.00 -1.51 0.00 0.00 54.79 54.29 2wba n ASP 231 Cb 0.57 -1.32 0.03 0.00 2.34 0.00 0.00 41.12 42.74 2wba n ASP 231 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2wba h GLU 232 N 4.08 1.07 -0.60 -0.67 4.81 -1.96 0.69 114.58 122.00 2wba h GLU 232 Ca -0.45 -0.30 0.07 0.00 -0.13 0.00 0.00 59.36 58.55 2wba h GLU 232 Cb 1.30 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 2wba h GLU 232 CO 0.75 1.00 0.28 1.15 -0.73 0.00 0.00 179.01 181.47 2wba h THR 233 N 0.98 0.89 -0.31 0.32 2.02 -2.00 -1.55 112.91 113.25 2wba h THR 233 Ca 0.19 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 67.06 2wba h THR 233 Cb 0.48 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2wba h THR 233 CO 0.02 0.10 -0.33 0.40 0.37 0.00 0.00 175.52 176.08 2wba h ILE 234 N 0.52 1.28 -0.30 3.11 2.04 -1.75 0.06 117.51 122.47 2wba h ILE 234 Ca 0.28 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.68 2wba h ILE 234 Cb 0.25 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2wba h ILE 234 CO -0.22 0.48 0.18 0.03 0.00 0.00 0.00 178.15 178.61 2wba h ARG 235 N 0.58 0.36 -0.64 2.37 3.08 -0.58 0.20 114.38 119.75 2wba h ARG 235 Ca 0.06 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 2wba h ARG 235 Cb 0.84 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 2wba h ARG 235 CO 0.07 0.24 0.14 0.93 -1.07 0.00 0.00 179.97 180.28 2wba h GLU 236 N 0.37 1.03 -0.25 0.04 4.39 -1.02 -2.58 114.58 116.57 2wba h GLU 236 Ca 0.11 -0.26 -0.18 0.00 0.34 0.00 0.00 59.36 59.38 2wba h GLU 236 Cb -0.02 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2wba h GLU 236 CO -0.04 0.94 -0.56 0.93 -1.16 0.00 0.00 179.01 179.12 2wba h GLU 237 N 0.95 0.77 -0.68 2.33 4.39 -0.77 -2.46 114.58 119.12 2wba h GLU 237 Ca 0.20 -0.50 -0.07 0.00 0.34 0.00 0.00 59.36 59.34 2wba h GLU 237 Cb 0.38 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2wba h GLU 237 CO 0.01 1.12 0.17 0.28 -1.16 0.00 0.00 179.01 179.42 2wba h VAL 238 N 0.59 1.26 -0.07 3.13 2.07 -0.94 -0.68 116.25 121.60 2wba h VAL 238 Ca 0.01 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.62 2wba h VAL 238 Cb 1.15 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2wba h VAL 238 CO 0.12 0.36 -0.15 0.74 0.02 0.00 0.00 177.57 178.66 2wba h THR 239 N 1.02 0.60 -0.84 2.57 2.02 -1.35 0.76 112.91 117.70 2wba h THR 239 Ca 0.22 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 2wba h THR 239 Cb 0.36 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 2wba h THR 239 CO 0.00 0.00 0.50 0.11 0.37 0.00 0.00 175.52 176.51 2wba h LYS 240 N -0.22 1.13 0.02 6.66 1.57 -1.21 -1.97 116.57 122.55 2wba h LYS 240 Ca 0.08 -0.10 -0.22 0.00 -1.87 0.00 0.00 60.65 58.53 2wba h LYS 240 Cb 0.32 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2wba h LYS 240 CO -0.20 0.79 -1.06 1.96 -0.57 0.00 0.00 179.45 180.36 2wba h GLN 241 N 1.15 0.04 -0.22 3.15 4.20 -0.70 -0.99 115.11 121.75 2wba h GLN 241 Ca 0.30 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 2wba h GLN 241 Cb -0.05 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2wba h GLN 241 CO -0.06 1.02 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.04 2wba h LEU 242 N 0.01 0.38 -0.56 1.46 3.38 -0.83 -2.96 115.31 116.19 2wba h LEU 242 Ca -0.04 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.68 2wba h LEU 242 Cb 1.81 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 2wba h LEU 242 CO 0.14 0.61 0.25 0.74 0.09 0.00 0.00 178.44 180.27 2wba h THR 243 N 0.14 0.87 0.00 0.22 2.02 -1.29 -1.34 112.91 113.54 2wba h THR 243 Ca 0.06 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2wba h THR 243 Cb 0.42 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2wba h THR 243 CO 0.01 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2wba h ALA 244 N 1.34 1.00 -0.70 6.16 0.00 -1.19 -1.29 119.26 124.58 2wba h ALA 244 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wba h ALA 244 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wba h ALA 244 CO -0.22 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.32 2wba n ASN 245 N -2.39 4.25 0.00 0.00 5.15 -0.57 -4.94 115.26 116.77 2wba n ASN 245 Ca 0.02 -2.18 0.00 0.00 -0.60 0.00 0.00 54.58 51.82 2wba n ASN 245 Cb 0.22 -0.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.95 2wba n ASN 245 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wba n GLY 246 N 1.46 0.95 3.71 8.20 0.00 -0.49 -5.05 105.19 113.98 2wba n GLY 246 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 2wba n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wba s ILE 247 N -2.01 5.26 -0.19 -0.61 1.01 -0.83 -4.48 121.20 119.37 2wba s ILE 247 Ca 0.00 0.67 -0.23 0.00 0.00 0.00 0.00 60.65 61.09 2wba s ILE 247 Cb 0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2wba s ILE 247 CO 0.00 0.35 0.71 -0.70 0.00 0.00 0.00 174.94 175.30 2wba s GLU 248 N 0.68 4.25 -0.33 2.79 2.56 -0.39 -3.69 118.70 124.58 2wba s GLU 248 Ca 0.19 0.79 -0.06 0.00 0.00 0.00 0.00 54.97 55.88 2wba s GLU 248 Cb -0.14 -3.58 0.03 0.00 2.00 0.00 0.00 34.13 32.45 2wba s GLU 248 CO 0.06 -0.28 0.09 0.42 -0.56 0.00 0.00 175.26 175.00 2wba s ILE 249 N 2.01 3.81 -0.46 -3.70 1.01 -1.26 -0.28 121.20 122.32 2wba s ILE 249 Ca 0.33 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 59.78 2wba s ILE 249 Cb -0.16 -3.10 0.04 0.00 0.01 0.00 0.00 42.46 39.25 2wba s ILE 249 CO 0.11 -0.10 0.54 -0.04 0.00 0.00 0.00 174.94 175.45 2wba s MET 250 N 1.43 3.12 0.21 2.79 -1.94 0.68 -4.99 119.30 120.60 2wba s MET 250 Ca -0.01 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.20 2wba s MET 250 Cb -0.19 -4.03 -0.03 0.00 2.01 0.00 0.00 34.83 32.59 2wba s MET 250 CO 0.03 -1.04 0.35 0.95 -0.01 0.00 0.00 175.02 175.30 2wba s THR 251 N 2.39 5.26 -1.52 2.05 -4.23 -1.26 -0.43 115.64 117.90 2wba s THR 251 Ca 0.14 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.87 2wba s THR 251 Cb -0.18 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.88 2wba s THR 251 CO 0.13 -0.24 0.52 0.59 -0.54 0.00 0.00 174.62 175.08 2wba n ASN 252 N -1.00 -5.68 -4.09 3.99 5.03 0.02 -4.91 115.26 108.62 2wba n ASN 252 Ca -0.07 -0.26 -0.17 0.00 0.87 0.00 0.00 54.58 54.94 2wba n ASN 252 Cb 0.55 -4.62 -0.13 0.00 -1.02 0.00 0.00 39.78 34.57 2wba n ASN 252 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2wba s GLU 253 N -5.67 0.72 -0.24 3.52 0.41 -0.58 -4.91 118.70 111.95 2wba s GLU 253 Ca 0.28 -0.69 -0.13 0.00 -0.41 0.00 0.00 54.97 54.03 2wba s GLU 253 Cb -0.13 -0.65 0.08 0.00 -1.78 0.00 0.00 34.13 31.64 2wba s GLU 253 CO 0.35 0.15 0.58 1.21 -0.49 0.00 0.00 175.26 177.06 2wba s ASN 254 N -1.17 -0.78 0.25 -0.19 2.47 -1.26 -2.32 114.94 111.94 2wba s ASN 254 Ca -0.02 1.28 -0.31 0.00 0.42 0.00 0.00 52.86 54.23 2wba s ASN 254 Cb -0.08 1.23 -0.13 0.00 -1.45 0.00 0.00 41.25 40.83 2wba s ASN 254 CO 0.01 -0.22 1.55 -2.65 -3.72 0.00 0.00 177.10 172.06 2wba n PRO 255 N 4.43 2.42 -0.07 0.43 -0.02 -1.26 -0.93 135.00 139.99 2wba n PRO 255 Ca -0.20 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 2wba n PRO 255 Cb 0.57 -2.61 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 2wba n PRO 255 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wba n ALA 256 N 2.47 1.63 -3.63 3.55 0.00 0.12 -4.69 120.51 119.96 2wba n ALA 256 Ca 0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 53.44 52.30 2wba n ALA 256 Cb 0.34 -0.37 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 2wba n ALA 256 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2wba s LYS 257 N -2.61 0.66 -0.03 0.00 2.20 -0.96 -4.25 119.74 114.75 2wba s LYS 257 Ca -0.09 0.81 0.04 0.00 -0.36 0.00 0.00 55.97 56.37 2wba s LYS 257 Cb 0.07 0.31 -0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2wba s LYS 257 CO 0.83 -0.08 -0.14 0.08 -0.36 0.00 0.00 175.35 175.68 2wba s VAL 258 N 0.40 1.17 0.18 4.02 1.01 -0.17 -1.12 120.40 125.88 2wba s VAL 258 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2wba s VAL 258 Cb -0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 2wba s VAL 258 CO -0.04 0.34 0.06 -0.94 0.00 0.00 0.00 175.10 174.53 2wba s SER 259 N -0.02 0.65 -0.06 3.32 1.04 -0.58 -3.72 113.70 114.32 2wba s SER 259 Ca -0.01 -1.27 -0.17 0.00 0.48 0.00 0.00 55.95 54.98 2wba s SER 259 Cb -0.09 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 2wba s SER 259 CO 0.01 -0.71 0.46 -0.76 0.98 0.00 0.00 173.24 173.22 2wba s LEU 260 N -3.15 4.36 0.71 2.42 1.02 -1.26 0.27 118.68 123.06 2wba s LEU 260 Ca 0.29 0.90 -0.11 0.00 0.02 0.00 0.00 54.13 55.23 2wba s LEU 260 Cb 0.07 -2.68 0.03 0.00 0.02 0.00 0.00 46.19 43.63 2wba s LEU 260 CO 0.06 0.13 1.09 0.20 0.02 0.00 0.00 176.35 177.85 2wba s ASN 261 N -0.05 5.26 0.29 2.29 0.01 0.13 -4.87 114.94 118.01 2wba s ASN 261 Ca 0.25 1.01 -0.01 0.00 -0.71 0.00 0.00 52.86 53.40 2wba s ASN 261 Cb -0.16 -1.76 0.43 0.00 0.41 0.00 0.00 41.25 40.17 2wba s ASN 261 CO 0.12 -1.43 1.89 0.71 -1.51 0.00 0.00 177.10 176.88 2wba h THR 262 N -0.69 1.21 0.00 1.60 1.35 -1.99 -1.32 112.91 113.08 2wba h THR 262 Ca -0.45 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2wba h THR 262 Cb 1.27 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2wba h THR 262 CO 0.64 0.26 0.00 -0.90 -0.25 0.00 0.00 175.52 175.27 2wba n ASP 263 N -4.34 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.19 2wba n ASP 263 Ca 0.06 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 2wba n ASP 263 Cb 0.14 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2wba n ASP 263 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wba n GLY 264 N 0.62 0.27 3.82 6.12 0.00 -0.50 -5.08 105.19 110.44 2wba n GLY 264 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2wba n GLY 264 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wba s SER 265 N -1.95 4.78 -0.10 1.61 1.04 -1.26 -4.71 113.70 113.11 2wba s SER 265 Ca 0.00 1.31 -0.09 0.00 0.48 0.00 0.00 55.95 57.66 2wba s SER 265 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 2wba s SER 265 CO 0.00 -1.79 0.19 -0.54 0.98 0.00 0.00 173.24 172.09 2wba s LYS 266 N -5.18 3.55 -0.34 4.02 3.01 0.90 0.22 119.74 125.92 2wba s LYS 266 Ca 0.60 -0.02 -0.06 0.00 -1.01 0.00 0.00 55.97 55.48 2wba s LYS 266 Cb -0.14 -3.20 0.05 0.00 -1.01 0.00 0.00 37.83 33.53 2wba s LYS 266 CO 0.54 0.75 0.10 -1.58 0.51 0.00 0.00 175.35 175.67 2wba s HIS 267 N -1.01 3.28 -0.17 3.18 2.46 0.14 -1.09 115.29 122.08 2wba s HIS 267 Ca 0.17 -1.55 -0.17 0.00 0.47 0.00 0.00 55.06 53.98 2wba s HIS 267 Cb -0.13 -2.34 -0.04 0.00 -0.13 0.00 0.00 32.58 29.94 2wba s HIS 267 CO 0.06 -0.76 0.43 0.08 -2.47 0.00 0.00 174.74 172.08 2wba s VAL 268 N 1.37 5.19 -0.15 0.89 1.01 0.82 -1.53 120.40 128.00 2wba s VAL 268 Ca -0.01 0.81 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 2wba s VAL 268 Cb -0.20 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2wba s VAL 268 CO 0.02 0.28 0.00 -0.89 0.00 0.00 0.00 175.10 174.51 2wba s THR 269 N 1.04 4.25 0.37 3.92 2.01 -0.28 -1.12 115.64 125.83 2wba s THR 269 Ca 0.22 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.99 2wba s THR 269 Cb -0.15 -2.86 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 2wba s THR 269 CO 0.08 0.51 0.56 -0.36 -0.69 0.00 0.00 174.62 174.73 2wba s PHE 270 N 0.06 3.36 0.46 4.92 0.08 -0.19 0.16 117.98 126.82 2wba s PHE 270 Ca 0.02 0.22 0.17 0.00 0.12 0.00 0.00 56.93 57.46 2wba s PHE 270 Cb -0.13 -2.02 1.13 0.00 -0.57 0.00 0.00 43.02 41.43 2wba s PHE 270 CO 0.02 -0.03 1.98 0.93 -0.10 0.00 0.00 175.22 178.02 2wba h GLU 271 N 0.68 0.29 0.00 0.44 5.08 -1.31 -2.02 114.58 117.75 2wba h GLU 271 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2wba h GLU 271 Cb 1.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wba h GLU 271 CO 0.59 0.19 -0.05 -1.13 -1.00 0.00 0.00 179.01 177.61 2wba n SER 272 N -4.45 0.50 0.00 1.42 3.41 -1.26 -4.92 113.62 108.32 2wba n SER 272 Ca 0.10 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2wba n SER 272 Cb 0.45 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2wba n SER 272 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wba n GLY 273 N 1.39 1.60 3.74 5.00 0.00 -0.76 -5.09 105.19 111.07 2wba n GLY 273 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2wba n GLY 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wba s LYS 274 N -0.51 2.00 0.11 1.61 1.02 -1.26 -4.75 119.74 117.96 2wba s LYS 274 Ca 0.00 1.32 0.04 0.00 0.02 0.00 0.00 55.97 57.34 2wba s LYS 274 Cb 0.00 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 2wba s LYS 274 CO 0.00 -1.86 -0.09 0.95 -0.92 0.00 0.00 175.35 173.43 2wba s THR 275 N -2.74 0.96 -0.24 2.17 -4.23 -1.26 -1.03 115.64 109.28 2wba s THR 275 Ca 0.64 -1.85 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 2wba s THR 275 Cb -0.19 -1.59 0.07 0.00 1.34 0.00 0.00 72.50 72.12 2wba s THR 275 CO 0.54 -0.69 0.59 -0.22 -0.54 0.00 0.00 174.62 174.30 2wba s LEU 276 N -2.82 -0.60 -0.22 4.79 2.96 -0.27 -5.00 118.68 117.52 2wba s LEU 276 Ca 0.11 1.28 -0.09 0.00 -0.22 0.00 0.00 54.13 55.20 2wba s LEU 276 Cb 0.01 2.01 -0.05 0.00 0.50 0.00 0.00 46.19 48.66 2wba s LEU 276 CO -0.01 -0.22 0.12 -1.81 -1.32 0.00 0.00 176.35 173.11 2wba s ASP 277 N 1.43 5.92 0.16 3.68 1.01 -1.26 -0.12 116.67 127.48 2wba s ASP 277 Ca -0.09 0.09 -0.00 0.00 0.71 0.00 0.00 52.55 53.26 2wba s ASP 277 Cb -0.06 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2wba s ASP 277 CO -0.16 0.10 0.05 0.68 0.21 0.00 0.00 175.17 176.05 2wba s VAL 278 N 0.86 0.30 -0.06 -1.27 -7.23 -0.25 -4.94 120.40 107.81 2wba s VAL 278 Ca 0.06 -1.94 0.13 0.00 -1.81 0.00 0.00 61.98 58.43 2wba s VAL 278 Cb -0.13 -2.13 -0.19 0.00 0.56 0.00 0.00 36.38 34.49 2wba s VAL 278 CO 0.03 -0.41 0.79 0.44 -0.31 0.00 0.00 175.10 175.64 2wba h ASP 279 N 2.77 0.00 -3.62 4.85 3.32 -1.11 0.26 116.42 122.89 2wba h ASP 279 Ca -0.36 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.42 2wba h ASP 279 Cb 1.21 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 2wba h ASP 279 CO 0.60 0.86 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.56 2wba s VAL 280 N -2.72 -0.00 -0.24 -1.35 1.01 -0.99 -4.68 120.40 111.43 2wba s VAL 280 Ca -0.03 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2wba s VAL 280 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 36.40 2wba s VAL 280 CO 0.82 0.06 -0.04 -0.69 0.00 0.00 0.00 175.10 175.24 2wba s VAL 281 N 0.60 3.13 -0.29 2.92 1.01 -1.26 -1.06 120.40 125.45 2wba s VAL 281 Ca -0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2wba s VAL 281 Cb -0.07 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2wba s VAL 281 CO -0.02 0.26 0.04 -0.32 0.00 0.00 0.00 175.10 175.06 2wba s MET 282 N 1.39 2.96 -0.16 2.72 1.75 0.95 -0.88 119.30 128.02 2wba s MET 282 Ca 0.02 -0.93 -0.29 0.00 -1.25 0.00 0.00 55.69 53.24 2wba s MET 282 Cb -0.16 -3.27 -0.00 0.00 2.84 0.00 0.00 34.83 34.24 2wba s MET 282 CO -0.04 -0.46 1.06 -1.64 -0.65 0.00 0.00 175.02 173.30 2wba s MET 283 N 1.44 4.32 -0.41 4.11 -1.94 0.51 -0.33 119.30 127.00 2wba s MET 283 Ca 0.01 1.42 0.11 0.00 -1.71 0.00 0.00 55.69 55.53 2wba s MET 283 Cb -0.17 -3.61 0.37 0.00 2.01 0.00 0.00 34.83 33.42 2wba s MET 283 CO 0.01 -0.51 0.82 0.00 -0.01 0.00 0.00 175.02 175.33 2wba n ALA 284 N 5.78 2.88 1.00 3.03 0.00 0.46 -4.14 120.51 129.52 2wba n ALA 284 Ca 0.11 -3.68 0.12 0.00 0.00 0.00 0.00 53.44 49.99 2wba n ALA 284 Cb 0.47 -0.87 0.08 0.00 0.00 0.00 0.00 19.45 19.13 2wba n ALA 284 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2wba n ILE 285 N 0.09 0.00 0.00 0.00 -5.35 -1.23 -4.38 119.36 108.49 2wba n ILE 285 Ca 0.25 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2wba n ILE 285 Cb 0.63 1.46 0.00 0.00 -1.74 0.00 0.00 39.64 39.98 2wba n ILE 285 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wba n GLY 286 N 1.36 2.82 3.09 3.28 0.00 -1.26 -4.97 105.19 109.51 2wba n GLY 286 Ca 0.13 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 2wba n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wba s ARG 287 N -2.09 1.69 -0.02 1.61 0.52 -1.26 -0.55 118.95 118.84 2wba s ARG 287 Ca 0.00 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 54.73 2wba s ARG 287 Cb 0.00 -1.45 -0.03 0.00 0.52 0.00 0.00 34.95 34.00 2wba s ARG 287 CO 0.00 0.17 -0.17 0.96 0.02 0.00 0.00 175.30 176.28 2wba s ILE 288 N 0.22 2.84 0.36 1.52 -4.36 0.08 -4.83 121.20 117.03 2wba s ILE 288 Ca -0.07 -0.89 -0.27 0.00 -0.26 0.00 0.00 60.65 59.16 2wba s ILE 288 Cb -0.12 -2.11 -0.12 0.00 1.25 0.00 0.00 42.46 41.35 2wba s ILE 288 CO 0.03 0.53 1.12 -2.65 0.24 0.00 0.00 174.94 174.21 2wba n PRO 289 N 2.15 1.65 -3.07 0.37 -0.02 -1.26 -1.17 135.00 133.65 2wba n PRO 289 Ca -0.17 0.58 -0.44 0.00 -2.02 0.00 0.00 63.50 61.45 2wba n PRO 289 Cb 0.52 -2.11 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2wba n PRO 289 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wba s ARG 290 N -1.87 4.08 -0.01 -0.52 3.52 -0.05 -4.69 118.95 119.41 2wba s ARG 290 Ca 0.59 -2.71 0.11 0.00 -0.13 0.00 0.00 55.73 53.59 2wba s ARG 290 Cb -0.59 -4.88 -0.14 0.00 -1.56 0.00 0.00 34.95 27.77 2wba s ARG 290 CO 0.59 -1.60 0.33 0.25 -0.81 0.00 0.00 175.30 174.07 2wba n THR 291 N 4.09 0.00 0.25 4.11 -2.24 -1.26 -4.71 114.28 114.52 2wba n THR 291 Ca 0.31 -0.25 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 2wba n THR 291 Cb 0.42 0.61 0.65 0.00 -2.10 0.00 0.00 70.33 69.91 2wba n THR 291 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2wba h ASN 292 N 0.00 0.00 0.01 3.42 -0.73 -1.97 -2.95 115.58 113.36 2wba h ASN 292 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2wba h ASN 292 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 2wba h ASN 292 CO 0.00 0.15 -0.51 0.47 -0.37 0.00 0.00 177.43 177.17 2wba n ASP 293 N -3.51 1.83 -0.00 1.15 8.00 -1.26 -4.41 116.55 118.35 2wba n ASP 293 Ca -0.01 -1.40 0.13 0.00 0.71 0.00 0.00 54.79 54.22 2wba n ASP 293 Cb 0.30 0.50 0.45 0.00 -0.02 0.00 0.00 41.12 42.35 2wba n ASP 293 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wba n LEU 294 N -0.23 0.23 -3.72 0.64 4.77 -1.11 -4.62 117.00 112.96 2wba n LEU 294 Ca 0.09 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2wba n LEU 294 Cb 0.44 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2wba n LEU 294 CO 0.30 0.06 -0.03 0.00 -1.33 0.00 0.00 177.39 176.38 2wba n GLN 295 N -1.50 -5.11 0.27 3.23 1.13 -1.26 -0.68 117.38 113.46 2wba n GLN 295 Ca 0.06 0.63 0.14 0.00 -1.94 0.00 0.00 57.00 55.89 2wba n GLN 295 Cb 0.34 -5.26 0.78 0.00 0.11 0.00 0.00 30.24 26.21 2wba n GLN 295 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wba h LEU 296 N -1.91 0.00 -2.09 1.08 3.38 -1.88 -2.27 115.31 111.62 2wba h LEU 296 Ca -0.61 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2wba h LEU 296 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2wba h LEU 296 CO 0.58 0.09 -0.06 1.23 0.09 0.00 0.00 178.44 180.37 2wba h GLY 297 N 0.81 0.00 1.33 0.83 0.00 -1.89 0.19 103.07 104.35 2wba h GLY 297 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.41 2wba h GLY 297 CO 0.01 0.00 0.26 3.43 0.00 0.00 0.00 176.54 180.25 2wba h ASN 298 N 0.00 0.13 0.00 0.19 2.35 -1.69 -3.21 115.58 113.35 2wba h ASN 298 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wba h ASN 298 Cb 0.12 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2wba h ASN 298 CO 0.01 0.08 -0.86 0.52 -1.65 0.00 0.00 177.43 175.53 2wba n VAL 299 N -4.46 0.00 -2.15 2.81 0.31 -0.79 -4.89 118.33 109.16 2wba n VAL 299 Ca 0.05 -0.16 -0.01 0.00 -0.01 0.00 0.00 64.34 64.21 2wba n VAL 299 Cb 0.35 0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 2wba n VAL 299 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wba n GLY 300 N 2.02 0.45 3.67 2.92 0.00 0.60 -5.01 105.19 109.84 2wba n GLY 300 Ca -0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2wba n GLY 300 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wba s VAL 301 N -2.29 3.59 0.38 1.61 1.01 -1.16 -4.90 120.40 118.64 2wba s VAL 301 Ca 0.01 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 2wba s VAL 301 Cb -0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2wba s VAL 301 CO 0.01 -0.05 0.99 -0.54 0.00 0.00 0.00 175.10 175.51 2wba s LYS 302 N 3.38 4.33 0.27 2.72 1.02 -1.26 -4.85 119.74 125.35 2wba s LYS 302 Ca 0.69 1.35 0.08 0.00 0.02 0.00 0.00 55.97 58.11 2wba s LYS 302 Cb -0.33 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.39 2wba s LYS 302 CO 0.28 0.04 0.15 -0.51 -0.92 0.00 0.00 175.35 174.38 2wba s LEU 303 N -2.55 3.60 0.69 3.17 1.02 -1.26 -1.88 118.68 121.46 2wba s LEU 303 Ca 0.56 -0.41 -0.11 0.00 0.02 0.00 0.00 54.13 54.19 2wba s LEU 303 Cb -0.18 -2.13 0.01 0.00 0.02 0.00 0.00 46.19 43.91 2wba s LEU 303 CO 0.23 -0.07 1.09 0.42 0.02 0.00 0.00 176.35 178.03 2wba s THR 304 N -2.22 3.68 0.29 5.49 -4.23 0.20 -4.67 115.64 114.17 2wba s THR 304 Ca 0.33 0.54 0.04 0.00 -1.18 0.00 0.00 61.69 61.43 2wba s THR 304 Cb -0.07 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.52 2wba s THR 304 CO 0.24 -0.71 1.72 -0.65 -0.54 0.00 0.00 174.62 174.67 2wba h PRO 305 N -0.61 0.47 -0.19 3.99 0.11 -2.01 -1.17 132.00 132.59 2wba h PRO 305 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wba h PRO 305 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2wba h PRO 305 CO 0.63 0.31 0.00 1.63 -0.21 0.00 0.00 178.00 180.36 2wba n LYS 306 N -4.98 1.79 0.00 1.05 4.76 -1.26 -4.93 118.16 114.60 2wba n LYS 306 Ca 0.22 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.47 2wba n LYS 306 Cb 0.63 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.42 2wba n LYS 306 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wba n GLY 307 N 1.15 0.59 3.80 0.72 0.00 -0.44 -4.89 105.19 106.12 2wba n GLY 307 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2wba n GLY 307 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wba s GLY 308 N -1.04 2.05 0.04 -0.02 0.00 -1.26 -4.69 107.32 102.40 2wba s GLY 308 Ca 0.00 0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.76 2wba s GLY 308 CO 0.00 0.66 1.52 0.14 0.00 0.00 0.00 173.10 175.42 2wba s VAL 309 N -2.55 3.33 -0.07 1.40 1.01 -0.61 0.58 120.40 123.50 2wba s VAL 309 Ca 0.63 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 2wba s VAL 309 Cb -0.16 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2wba s VAL 309 CO 0.40 0.00 1.36 -1.58 0.00 0.00 0.00 175.10 175.28 2wba s GLN 310 N 2.39 4.27 0.17 2.72 0.74 -0.79 -4.62 119.66 124.53 2wba s GLN 310 Ca 0.69 1.85 0.05 0.00 0.05 0.00 0.00 55.36 57.99 2wba s GLN 310 Cb -0.36 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.01 2wba s GLN 310 CO 0.30 -0.63 -0.09 0.14 -0.55 0.00 0.00 175.29 174.45 2wba s VAL 311 N 2.95 1.22 0.29 1.34 -7.23 -1.26 -4.34 120.40 113.37 2wba s VAL 311 Ca 0.61 -2.08 -0.00 0.00 -1.81 0.00 0.00 61.98 58.70 2wba s VAL 311 Cb -0.27 -1.94 0.06 0.00 0.56 0.00 0.00 36.38 34.78 2wba s VAL 311 CO 0.22 -0.67 0.39 -0.90 -0.31 0.00 0.00 175.10 173.84 2wba n ASP 312 N -0.25 0.52 0.27 4.85 5.68 -0.89 -4.92 116.55 121.82 2wba n ASP 312 Ca -0.09 -1.44 0.18 0.00 -0.50 0.00 0.00 54.79 52.94 2wba n ASP 312 Cb 0.61 -0.26 0.94 0.00 -1.14 0.00 0.00 41.12 41.27 2wba n ASP 312 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2wba h GLU 313 N 0.00 0.00 -0.57 0.11 5.08 -1.99 -1.06 114.58 116.15 2wba h GLU 313 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2wba h GLU 313 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2wba h GLU 313 CO 0.14 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.34 2wba n PHE 314 N -2.78 1.11 -1.18 4.33 3.01 -1.26 -4.31 117.46 116.38 2wba n PHE 314 Ca -0.02 -0.59 -0.06 0.00 1.01 0.00 0.00 57.45 57.79 2wba n PHE 314 Cb 0.09 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.38 2wba n PHE 314 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wba n SER 315 N 0.96 -3.91 -4.74 4.37 7.64 -0.40 -4.83 113.62 112.72 2wba n SER 315 Ca 0.22 0.15 -0.40 0.00 1.01 0.00 0.00 58.87 59.86 2wba n SER 315 Cb 0.74 -1.96 -0.05 0.00 -1.01 0.00 0.00 64.21 61.93 2wba n SER 315 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2wba s ARG 316 N -2.34 4.46 0.74 1.43 0.52 -1.26 -2.03 118.95 120.47 2wba s ARG 316 Ca 0.00 1.00 -0.07 0.00 -0.52 0.00 0.00 55.73 56.13 2wba s ARG 316 Cb 0.00 -3.39 0.16 0.00 0.52 0.00 0.00 34.95 32.24 2wba s ARG 316 CO 0.00 0.21 1.01 0.25 0.02 0.00 0.00 175.30 176.79 2wba n THR 317 N 3.14 0.00 0.76 0.02 -2.24 -1.05 -2.09 114.28 112.81 2wba n THR 317 Ca -0.02 -1.09 0.09 0.00 -2.27 0.00 0.00 64.05 60.75 2wba n THR 317 Cb 0.51 -1.28 0.42 0.00 -2.10 0.00 0.00 70.33 67.88 2wba n THR 317 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2wba n ASN 318 N -3.34 0.00 -4.48 3.42 6.94 -1.26 -4.56 115.26 111.97 2wba n ASN 318 Ca 0.14 0.22 -0.36 0.00 -0.02 0.00 0.00 54.58 54.57 2wba n ASN 318 Cb 0.50 -0.37 -0.12 0.00 -2.36 0.00 0.00 39.78 37.43 2wba n ASN 318 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wba s VAL 319 N -2.74 4.30 0.22 3.53 1.01 -1.26 -5.04 120.40 120.42 2wba s VAL 319 Ca 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 2wba s VAL 319 Cb 0.12 -2.98 0.17 0.00 0.00 0.00 0.00 36.38 33.69 2wba s VAL 319 CO 0.29 0.39 1.73 -0.65 0.00 0.00 0.00 175.10 176.86 2wba h PRO 320 N 7.70 0.36 -0.68 2.72 0.11 -1.99 -1.46 132.00 138.76 2wba h PRO 320 Ca -0.37 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.52 2wba h PRO 320 Cb 1.18 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.09 2wba h PRO 320 CO 0.61 0.24 0.23 0.09 -0.21 0.00 0.00 178.00 178.95 2wba n ASN 321 N -5.04 4.61 -4.16 -2.05 4.13 -1.26 -4.89 115.26 106.60 2wba n ASN 321 Ca 0.10 -3.25 -0.32 0.00 1.68 0.00 0.00 54.58 52.79 2wba n ASN 321 Cb 0.33 -0.72 -0.17 0.00 -1.54 0.00 0.00 39.78 37.68 2wba n ASN 321 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wba s ILE 322 N -3.01 1.97 0.24 2.41 1.01 -0.55 -0.84 121.20 122.43 2wba s ILE 322 Ca 0.54 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 60.34 2wba s ILE 322 Cb 0.43 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 2wba s ILE 322 CO 0.12 0.53 -0.14 -0.31 0.00 0.00 0.00 174.94 175.15 2wba s TYR 323 N 0.76 1.90 -0.02 3.97 2.02 -0.23 -2.53 117.35 123.23 2wba s TYR 323 Ca -0.09 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 2wba s TYR 323 Cb -0.16 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 2wba s TYR 323 CO -0.00 0.43 0.02 0.00 -1.57 0.00 0.00 175.55 174.43 2wba s ALA 324 N -2.87 0.07 0.23 3.71 0.00 -0.86 0.01 121.76 122.04 2wba s ALA 324 Ca 0.26 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2wba s ALA 324 Cb -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 2wba s ALA 324 CO 0.10 -0.09 0.06 0.96 0.00 0.00 0.00 175.76 176.79 2wba s ILE 325 N 0.85 0.60 0.00 0.00 -4.36 -1.00 -4.70 121.20 112.59 2wba s ILE 325 Ca -0.07 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.32 2wba s ILE 325 Cb -0.10 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.16 2wba s ILE 325 CO -0.02 -0.17 0.00 0.61 0.24 0.00 0.00 174.94 175.60 2wba n GLY 326 N -0.38 -0.31 0.31 6.27 0.00 -1.26 -3.97 105.19 105.83 2wba n GLY 326 Ca -0.02 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 45.09 2wba n GLY 326 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wba h ASP 327 N 3.99 0.00 0.04 1.61 5.19 -1.87 -1.66 116.42 123.72 2wba h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wba h ASP 327 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2wba h ASP 327 CO 0.00 0.00 0.00 -0.29 -3.12 0.00 0.00 179.24 175.83 2wba h ILE 328 N 0.00 0.00 -0.00 0.35 2.10 -1.68 -0.47 117.51 117.81 2wba h ILE 328 Ca 0.04 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.96 2wba h ILE 328 Cb 0.19 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 2wba h ILE 328 CO -0.00 0.00 -0.48 0.35 -1.08 0.00 0.00 178.15 176.94 2wba n THR 329 N -2.73 0.00 -3.60 2.19 -2.24 -0.62 -1.57 114.28 105.70 2wba n THR 329 Ca -0.02 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 2wba n THR 329 Cb 0.07 0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.80 2wba n THR 329 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wba n ASP 330 N -1.13 -2.16 0.00 3.42 2.03 -0.19 -4.66 116.55 113.87 2wba n ASP 330 Ca 0.08 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.67 2wba n ASP 330 Cb 0.35 -4.54 0.00 0.00 -0.72 0.00 0.00 41.12 36.20 2wba n ASP 330 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2wba n ARG 331 N -4.30 0.00 -3.03 -0.67 0.63 -1.26 -5.01 116.66 103.02 2wba n ARG 331 Ca -0.25 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.25 2wba n ARG 331 Cb 0.66 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.51 2wba n ARG 331 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2wba s LEU 332 N 0.00 4.63 -1.35 6.15 1.02 -1.26 -4.98 118.68 122.89 2wba s LEU 332 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 54.13 53.33 2wba s LEU 332 Cb 0.00 -2.60 0.10 0.00 0.02 0.00 0.00 46.19 43.72 2wba s LEU 332 CO 0.00 -1.02 1.96 0.23 0.02 0.00 0.00 176.35 177.54 2wba n MET 333 N 6.67 3.23 -4.25 1.70 2.81 -1.26 -4.78 117.12 121.23 2wba n MET 333 Ca -0.03 -3.15 -0.18 0.00 -1.81 0.00 0.00 57.70 52.53 2wba n MET 333 Cb 0.46 -3.16 -0.13 0.00 -0.71 0.00 0.00 33.22 29.69 2wba n MET 333 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wba s LEU 334 N 1.54 2.20 0.06 4.03 1.43 -1.26 -5.07 118.68 121.61 2wba s LEU 334 Ca 0.45 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2wba s LEU 334 Cb 0.09 -0.50 -0.17 0.00 0.03 0.00 0.00 46.19 45.65 2wba s LEU 334 CO -0.03 -0.03 1.59 0.74 0.23 0.00 0.00 176.35 178.85 2wba h THR 335 N 4.47 1.07 0.00 5.49 2.02 -2.00 -2.28 112.91 121.67 2wba h THR 335 Ca -0.38 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 2wba h THR 335 Cb 1.19 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2wba h THR 335 CO 0.43 0.09 -0.00 -0.65 0.37 0.00 0.00 175.52 175.75 2wba h PRO 336 N -0.20 0.00 -0.16 6.66 0.11 -1.98 -1.10 132.00 135.33 2wba h PRO 336 Ca -0.01 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2wba h PRO 336 Cb 0.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 2wba h PRO 336 CO 0.01 0.00 -0.51 0.28 -0.21 0.00 0.00 178.00 177.57 2wba h VAL 337 N 0.00 1.33 -0.78 3.15 2.07 -1.88 -1.65 116.25 118.49 2wba h VAL 337 Ca -0.00 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 2wba h VAL 337 Cb 0.50 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2wba h VAL 337 CO 0.00 0.55 0.43 0.00 0.02 0.00 0.00 177.57 178.57 2wba h ALA 338 N 0.55 1.00 -0.07 1.67 0.00 -0.80 -0.44 119.26 121.16 2wba h ALA 338 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wba h ALA 338 Cb 1.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2wba h ALA 338 CO 0.11 0.50 0.03 0.82 0.00 0.00 0.00 179.25 180.71 2wba h ILE 339 N 1.08 1.11 -0.98 0.00 2.04 -1.25 -0.81 117.51 118.70 2wba h ILE 339 Ca 0.28 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2wba h ILE 339 Cb 0.02 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2wba h ILE 339 CO -0.05 0.10 0.65 -1.13 0.00 0.00 0.00 178.15 177.72 2wba h ASN 340 N -0.02 1.09 -0.51 1.72 -0.73 -1.11 -1.78 115.58 114.24 2wba h ASN 340 Ca 0.02 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 2wba h ASN 340 Cb 0.13 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 2wba h ASN 340 CO -0.00 0.77 0.17 -0.33 -0.37 0.00 0.00 177.43 177.67 2wba h GLU 341 N 1.28 0.78 -0.75 6.67 5.08 -0.83 -1.40 114.58 125.40 2wba h GLU 341 Ca 0.38 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2wba h GLU 341 Cb -0.07 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 2wba h GLU 341 CO -0.10 0.72 0.29 0.78 -1.00 0.00 0.00 179.01 179.69 2wba h GLY 342 N 0.69 1.21 0.87 -3.84 0.00 -0.80 -1.19 103.07 100.01 2wba h GLY 342 Ca 0.17 -0.66 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 2wba h GLY 342 CO -0.01 0.62 -0.19 0.00 0.00 0.00 0.00 176.54 176.97 2wba h ALA 343 N 1.21 0.34 -0.64 3.60 0.00 -1.19 -2.42 119.26 120.16 2wba h ALA 343 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2wba h ALA 343 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2wba h ALA 343 CO -0.02 0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.79 2wba h ALA 344 N 0.68 0.82 -0.04 0.00 0.00 -1.18 -1.47 119.26 118.08 2wba h ALA 344 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2wba h ALA 344 Cb 0.72 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2wba h ALA 344 CO 0.05 0.39 -0.16 1.25 0.00 0.00 0.00 179.25 180.78 2wba h LEU 345 N 0.88 -0.47 -0.78 0.00 7.12 -1.19 -1.01 115.31 119.85 2wba h LEU 345 Ca 0.22 0.07 -0.06 0.00 0.13 0.00 0.00 57.88 58.24 2wba h LEU 345 Cb 0.13 0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.43 2wba h LEU 345 CO -0.03 -0.22 0.21 0.58 -0.13 0.00 0.00 178.44 178.86 2wba h VAL 346 N -0.25 1.26 -0.97 1.05 2.07 -1.25 -0.41 116.25 117.75 2wba h VAL 346 Ca 0.06 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.67 2wba h VAL 346 Cb 0.33 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2wba h VAL 346 CO -0.18 0.36 0.63 0.44 0.02 0.00 0.00 177.57 178.84 2wba h ASP 347 N 1.08 1.13 0.04 0.57 3.32 -1.12 -1.19 116.42 120.26 2wba h ASP 347 Ca 0.23 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 2wba h ASP 347 Cb 0.32 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2wba h ASP 347 CO -0.01 0.83 -0.02 0.74 -1.72 0.00 0.00 179.24 179.07 2wba h THR 348 N 1.33 1.22 0.06 0.35 2.02 -0.40 -2.16 112.91 115.33 2wba h THR 348 Ca 0.35 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 2wba h THR 348 Cb -0.13 1.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2wba h THR 348 CO -0.07 0.21 -0.53 0.58 0.37 0.00 0.00 175.52 176.08 2wba h VAL 349 N -0.43 1.54 0.00 3.16 2.07 -1.05 -2.61 116.25 118.94 2wba h VAL 349 Ca -0.01 -2.29 -0.17 0.00 0.82 0.00 0.00 66.70 65.06 2wba h VAL 349 Cb 0.39 3.01 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 2wba h VAL 349 CO 0.01 0.64 -2.08 0.49 0.02 0.00 0.00 177.57 176.65 2wba n PHE 350 N -4.29 0.00 0.75 1.57 3.72 -0.46 -4.24 117.46 114.51 2wba n PHE 350 Ca -0.12 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.40 2wba n PHE 350 Cb 0.68 -0.68 0.20 0.00 -0.94 0.00 0.00 39.48 38.74 2wba n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wba n GLY 351 N 1.62 -1.34 2.41 1.37 0.00 -0.89 -4.97 105.19 103.40 2wba n GLY 351 Ca -0.17 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2wba n GLY 351 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wba n ASN 352 N -1.84 -4.45 -3.81 1.61 4.13 -0.86 -4.94 115.26 105.10 2wba n ASN 352 Ca 0.04 0.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.15 2wba n ASN 352 Cb 0.39 -3.77 -0.15 0.00 -1.54 0.00 0.00 39.78 34.71 2wba n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2wba s LYS 353 N -4.90 0.93 0.16 3.52 1.02 -1.11 -5.02 119.74 114.33 2wba s LYS 353 Ca 0.00 -1.27 -0.34 0.00 0.02 0.00 0.00 55.97 54.38 2wba s LYS 353 Cb 0.00 -2.32 -0.15 0.00 -0.52 0.00 0.00 37.83 34.84 2wba s LYS 353 CO 0.00 -0.96 1.35 -2.30 -0.92 0.00 0.00 175.35 172.52 2wba n PRO 354 N 4.69 1.53 -3.79 -1.68 -0.02 -1.26 -3.81 135.00 130.67 2wba n PRO 354 Ca -0.01 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.88 2wba n PRO 354 Cb 0.42 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 2wba n PRO 354 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wba s ARG 355 N 0.15 0.00 0.08 -0.52 0.52 -1.26 -4.94 118.95 112.98 2wba s ARG 355 Ca 0.77 0.19 0.09 0.00 -0.52 0.00 0.00 55.73 56.26 2wba s ARG 355 Cb -0.81 -0.17 -0.03 0.00 0.52 0.00 0.00 34.95 34.46 2wba s ARG 355 CO 0.47 -0.13 -0.23 -1.59 0.02 0.00 0.00 175.30 173.85 2wba s LYS 356 N 0.83 1.77 0.15 3.54 -2.85 -1.26 -4.49 119.74 117.44 2wba s LYS 356 Ca -0.07 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 2wba s LYS 356 Cb -0.10 -2.04 -0.08 0.00 -2.06 0.00 0.00 37.83 33.55 2wba s LYS 356 CO -0.03 0.50 1.25 0.99 0.10 0.00 0.00 175.35 178.16 2wba s THR 357 N -0.97 3.57 -0.34 3.79 2.01 -1.26 -5.01 115.64 117.43 2wba s THR 357 Ca 0.14 1.24 -0.24 0.00 0.31 0.00 0.00 61.69 63.14 2wba s THR 357 Cb -0.10 -3.79 0.01 0.00 0.01 0.00 0.00 72.50 68.62 2wba s THR 357 CO 0.05 0.16 0.83 -0.62 -0.69 0.00 0.00 174.62 174.36 2wba s ASP 358 N 0.51 6.64 0.00 3.53 2.15 -1.26 -4.93 116.67 123.31 2wba s ASP 358 Ca 0.56 0.55 0.22 0.00 0.43 0.00 0.00 52.55 54.31 2wba s ASP 358 Cb -0.33 -2.42 0.63 0.00 -0.30 0.00 0.00 42.92 40.49 2wba s ASP 358 CO 0.34 -0.73 1.49 1.41 -0.17 0.00 0.00 175.17 177.52 2wba n HIS 359 N 6.45 0.28 -3.90 -5.34 8.25 -1.26 -4.83 115.22 114.87 2wba n HIS 359 Ca 0.05 -0.14 -0.25 0.00 -0.26 0.00 0.00 57.72 57.12 2wba n HIS 359 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 2wba n HIS 359 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wba s THR 360 N -1.72 5.28 -1.61 1.59 -4.23 -1.26 -4.52 115.64 109.17 2wba s THR 360 Ca 0.34 -0.72 -0.02 0.00 -1.18 0.00 0.00 61.69 60.11 2wba s THR 360 Cb 0.19 -3.78 0.01 0.00 1.34 0.00 0.00 72.50 70.26 2wba s THR 360 CO 0.28 -0.19 0.22 0.54 -0.54 0.00 0.00 174.62 174.94 2wba n ARG 361 N -0.85 -2.89 -2.94 3.99 1.74 -1.26 -4.94 116.66 109.50 2wba n ARG 361 Ca -0.07 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.51 2wba n ARG 361 Cb 0.55 -5.64 -0.04 0.00 -1.02 0.00 0.00 32.46 26.31 2wba n ARG 361 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wba s VAL 362 N -3.04 4.91 0.21 1.55 1.01 -1.26 -4.67 120.40 119.11 2wba s VAL 362 Ca 0.12 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 2wba s VAL 362 Cb -0.05 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2wba s VAL 362 CO 0.15 0.04 1.13 0.00 0.00 0.00 0.00 175.10 176.42 2wba s ALA 363 N 2.12 3.40 0.24 5.51 0.00 -1.26 -4.27 121.76 127.50 2wba s ALA 363 Ca 0.36 0.88 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 2wba s ALA 363 Cb -0.16 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2wba s ALA 363 CO 0.12 -0.24 0.31 -1.54 0.00 0.00 0.00 175.76 174.40 2wba s SER 364 N -0.29 0.18 0.05 0.00 1.04 0.11 -5.00 113.70 109.78 2wba s SER 364 Ca 0.49 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.69 2wba s SER 364 Cb -0.31 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2wba s SER 364 CO 0.38 -1.01 -0.04 0.00 0.98 0.00 0.00 173.24 173.55 2wba s ALA 365 N -3.98 0.46 -0.15 5.32 0.00 -1.26 -1.20 121.76 120.95 2wba s ALA 365 Ca 0.32 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2wba s ALA 365 Cb 0.03 0.20 0.02 0.00 0.00 0.00 0.00 23.12 23.37 2wba s ALA 365 CO 0.12 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.52 2wba s VAL 366 N -2.95 1.84 -0.29 0.00 1.01 -0.59 -4.97 120.40 114.45 2wba s VAL 366 Ca -0.01 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2wba s VAL 366 Cb 0.01 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.73 2wba s VAL 366 CO -0.06 0.51 2.78 0.49 0.00 0.00 0.00 175.10 178.82 2wba n PHE 367 N 4.49 1.11 -0.91 5.22 3.72 -1.26 -0.95 117.46 128.88 2wba n PHE 367 Ca -0.19 -1.78 -0.28 0.00 -0.05 0.00 0.00 57.45 55.14 2wba n PHE 367 Cb 0.50 -1.30 0.21 0.00 -0.94 0.00 0.00 39.48 37.96 2wba n PHE 367 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2wba s SER 368 N 0.81 1.78 -0.27 4.37 1.04 -1.26 -4.76 113.70 115.41 2wba s SER 368 Ca 0.52 1.27 0.03 0.00 0.48 0.00 0.00 55.95 58.25 2wba s SER 368 Cb 0.32 -1.99 0.06 0.00 0.10 0.00 0.00 66.02 64.52 2wba s SER 368 CO -0.11 -3.67 -0.09 -0.63 0.98 0.00 0.00 173.24 169.72 2wba s ILE 369 N -2.76 2.20 0.72 -1.02 1.01 -1.26 -1.73 121.20 118.36 2wba s ILE 369 Ca 0.67 -1.72 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 2wba s ILE 369 Cb -0.21 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 39.95 2wba s ILE 369 CO 0.61 -0.10 1.09 -2.84 0.00 0.00 0.00 174.94 173.69 2wba s PRO 370 N 1.08 2.70 0.70 2.79 0.02 -1.26 -4.61 135.00 136.43 2wba s PRO 370 Ca -0.07 0.59 -0.10 0.00 0.02 0.00 0.00 61.00 61.44 2wba s PRO 370 Cb -0.20 -1.99 0.03 0.00 0.02 0.00 0.00 34.50 32.36 2wba s PRO 370 CO -0.05 -1.17 1.07 -1.25 -0.33 0.00 0.00 177.00 175.26 2wba s PRO 371 N -5.25 2.63 -0.01 5.54 0.04 -0.71 -4.71 135.00 132.53 2wba s PRO 371 Ca 0.59 0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.91 2wba s PRO 371 Cb -0.12 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2wba s PRO 371 CO 0.53 -1.10 -0.14 0.42 0.04 0.00 0.00 177.00 176.75 2wba s ILE 372 N -3.32 3.12 -0.05 0.56 1.01 -0.12 -1.38 121.20 121.02 2wba s ILE 372 Ca 0.58 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2wba s ILE 372 Cb -0.11 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.10 2wba s ILE 372 CO 0.49 0.47 -0.07 -0.83 0.00 0.00 0.00 174.94 175.00 2wba s GLY 373 N -1.11 0.54 -0.03 6.18 0.00 -0.40 -1.54 107.32 110.96 2wba s GLY 373 Ca 0.14 -0.16 -0.09 0.00 0.00 0.00 0.00 44.72 44.61 2wba s GLY 373 CO 0.04 0.30 0.20 -1.08 0.00 0.00 0.00 173.10 172.56 2wba s THR 374 N 0.77 0.05 -0.16 0.90 -1.32 -0.34 -0.27 115.64 115.28 2wba s THR 374 Ca -0.12 -0.42 -0.07 0.00 -1.21 0.00 0.00 61.69 59.87 2wba s THR 374 Cb -0.14 -0.43 0.07 0.00 -1.51 0.00 0.00 72.50 70.48 2wba s THR 374 CO 0.01 -0.23 0.35 0.00 -2.21 0.00 0.00 174.62 172.55 2wba n GLY 376 N 4.75 -1.72 3.78 0.00 0.00 -1.26 -0.48 105.19 110.26 2wba n GLY 376 Ca -0.17 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2wba n GLY 376 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wba s LEU 377 N 0.00 4.41 0.59 0.99 1.43 -0.34 -4.81 118.68 120.95 2wba s LEU 377 Ca 0.00 1.77 -0.09 0.00 -1.03 0.00 0.00 54.13 54.78 2wba s LEU 377 Cb 0.00 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2wba s LEU 377 CO 0.00 0.01 0.96 0.27 0.23 0.00 0.00 176.35 177.82 2wba s ILE 378 N -1.50 4.48 0.32 -0.59 -4.36 -1.26 -3.96 121.20 114.34 2wba s ILE 378 Ca 0.46 0.55 0.02 0.00 -0.26 0.00 0.00 60.65 61.42 2wba s ILE 378 Cb -0.20 -3.77 0.19 0.00 1.25 0.00 0.00 42.46 39.94 2wba s ILE 378 CO 0.25 -0.93 1.91 1.05 0.24 0.00 0.00 174.94 177.46 2wba h GLU 379 N -0.21 0.73 -0.13 0.37 4.11 -1.97 -2.10 114.58 115.39 2wba h GLU 379 Ca -0.45 -0.11 0.01 0.00 0.07 0.00 0.00 59.36 58.88 2wba h GLU 379 Cb 1.21 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2wba h GLU 379 CO 0.62 0.61 0.05 0.93 0.07 0.00 0.00 179.01 181.29 2wba h GLU 380 N 0.72 0.11 -0.33 1.06 3.07 -1.99 0.26 114.58 117.49 2wba h GLU 380 Ca 0.17 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.01 2wba h GLU 380 Cb 0.17 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 2wba h GLU 380 CO -0.01 0.07 0.13 0.28 -1.40 0.00 0.00 179.01 178.08 2wba h VAL 381 N 0.12 1.19 -0.55 3.13 2.07 -1.89 -3.02 116.25 117.30 2wba h VAL 381 Ca 0.05 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2wba h VAL 381 Cb 0.02 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2wba h VAL 381 CO -0.05 0.20 0.16 0.00 0.02 0.00 0.00 177.57 177.89 2wba h ALA 382 N 0.97 1.25 0.00 1.67 0.00 -1.22 -2.47 119.26 119.46 2wba h ALA 382 Ca 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wba h ALA 382 Cb 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wba h ALA 382 CO -0.01 0.53 -0.02 0.00 0.00 0.00 0.00 179.25 179.75 2wba h ALA 383 N 1.37 1.04 0.00 0.00 0.00 -0.82 -0.41 119.26 120.45 2wba h ALA 383 Ca 0.18 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2wba h ALA 383 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2wba h ALA 383 CO -0.01 0.03 -0.97 0.87 0.00 0.00 0.00 179.25 179.17 2wba h LYS 384 N 0.00 0.00 0.00 0.00 1.57 -1.38 -3.34 116.57 113.43 2wba h LYS 384 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2wba h LYS 384 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2wba h LYS 384 CO 0.00 0.39 -1.81 -1.91 -0.57 0.00 0.00 179.45 175.55 2wba n GLU 385 N -3.05 0.65 -4.77 3.15 2.13 -0.84 -4.96 120.64 112.96 2wba n GLU 385 Ca -0.04 -0.08 -0.24 0.00 0.66 0.00 0.00 57.16 57.46 2wba n GLU 385 Cb 0.78 -1.60 -0.15 0.00 0.27 0.00 0.00 31.44 30.74 2wba n GLU 385 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2wba s PHE 386 N -3.31 1.54 0.09 4.31 0.40 -0.22 -5.05 117.98 115.74 2wba s PHE 386 Ca -0.06 -0.30 -0.18 0.00 -0.60 0.00 0.00 56.93 55.79 2wba s PHE 386 Cb 0.12 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 42.60 2wba s PHE 386 CO 0.87 -0.01 1.52 1.49 0.70 0.00 0.00 175.22 179.79 2wba h GLU 387 N 5.58 0.51 -4.79 0.44 4.81 -1.87 -3.42 114.58 115.84 2wba h GLU 387 Ca -0.37 -0.17 -0.63 0.00 -0.13 0.00 0.00 59.36 58.06 2wba h GLU 387 Cb 1.15 -0.04 -0.36 0.00 0.63 0.00 0.00 28.75 30.13 2wba h GLU 387 CO 0.48 0.67 -0.83 0.15 -0.73 0.00 0.00 179.01 178.74 2wba s LYS 388 N -4.94 2.44 0.02 1.92 3.01 -1.26 0.62 119.74 121.55 2wba s LYS 388 Ca -0.13 -0.79 0.08 0.00 -1.01 0.00 0.00 55.97 54.12 2wba s LYS 388 Cb 0.08 -2.40 -0.02 0.00 -1.01 0.00 0.00 37.83 34.47 2wba s LYS 388 CO 0.76 -0.31 -0.25 0.14 0.51 0.00 0.00 175.35 176.21 2wba s VAL 389 N 1.37 1.98 0.02 3.17 -7.23 -0.67 -1.08 120.40 117.95 2wba s VAL 389 Ca 0.02 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2wba s VAL 389 Cb -0.14 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2wba s VAL 389 CO -0.10 0.40 -0.05 0.00 -0.31 0.00 0.00 175.10 175.04 2wba s ALA 390 N -0.72 3.11 -0.15 1.32 0.00 -0.73 -1.23 121.76 123.36 2wba s ALA 390 Ca 0.10 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2wba s ALA 390 Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.87 2wba s ALA 390 CO 0.01 0.63 -0.18 0.08 0.00 0.00 0.00 175.76 176.30 2wba s VAL 391 N -1.07 1.84 -0.26 0.00 1.01 -0.52 -1.05 120.40 120.36 2wba s VAL 391 Ca 0.19 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 2wba s VAL 391 Cb -0.11 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2wba s VAL 391 CO 0.10 0.51 0.08 -0.31 0.00 0.00 0.00 175.10 175.47 2wba s TYR 392 N 1.15 3.10 -0.06 5.22 1.51 0.08 0.15 117.35 128.49 2wba s TYR 392 Ca -0.00 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2wba s TYR 392 Cb -0.14 -2.25 0.01 0.00 -0.11 0.00 0.00 41.96 39.47 2wba s TYR 392 CO -0.07 -0.38 -0.16 1.41 -1.11 0.00 0.00 175.55 175.25 2wba s MET 393 N 1.61 1.95 -0.08 -0.62 1.75 -1.26 -1.17 119.30 121.48 2wba s MET 393 Ca 0.06 -0.55 0.02 0.00 -1.25 0.00 0.00 55.69 53.98 2wba s MET 393 Cb -0.15 -1.59 0.01 0.00 2.84 0.00 0.00 34.83 35.94 2wba s MET 393 CO 0.04 0.11 -0.13 0.45 -0.65 0.00 0.00 175.02 174.84 2wba s SER 394 N 0.43 2.01 -0.22 1.11 0.15 -0.32 -4.92 113.70 111.94 2wba s SER 394 Ca -0.12 -0.34 -0.04 0.00 0.70 0.00 0.00 55.95 56.15 2wba s SER 394 Cb -0.15 -0.92 0.12 0.00 -1.71 0.00 0.00 66.02 63.36 2wba s SER 394 CO 0.04 0.03 0.36 -0.55 1.20 0.00 0.00 173.24 174.33 2wba s SER 395 N 0.74 0.27 -0.02 5.45 0.15 -1.26 -1.08 113.70 117.95 2wba s SER 395 Ca -0.13 0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.57 2wba s SER 395 Cb -0.16 1.06 0.10 0.00 -1.71 0.00 0.00 66.02 65.32 2wba s SER 395 CO 0.03 -0.29 0.89 0.72 1.20 0.00 0.00 173.24 175.80 2wba s PHE 396 N 2.53 -0.36 -0.08 3.44 -0.71 -1.09 -4.96 117.98 116.75 2wba s PHE 396 Ca 0.09 0.29 -0.30 0.00 -1.04 0.00 0.00 56.93 55.97 2wba s PHE 396 Cb -0.15 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.15 2wba s PHE 396 CO -0.14 -0.52 1.34 0.99 -1.34 0.00 0.00 175.22 175.54 2wba s THR 397 N -2.84 4.04 0.71 -4.49 2.01 -1.26 -1.13 115.64 112.68 2wba s THR 397 Ca 0.04 1.33 -0.16 0.00 0.31 0.00 0.00 61.69 63.20 2wba s THR 397 Cb -0.01 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.67 2wba s THR 397 CO -0.07 -0.06 1.24 -2.84 -0.69 0.00 0.00 174.62 172.20 2wba s PRO 398 N 3.01 2.22 0.18 4.92 0.02 -1.26 -4.86 135.00 139.23 2wba s PRO 398 Ca 0.60 1.89 -0.13 0.00 0.02 0.00 0.00 61.00 63.38 2wba s PRO 398 Cb -0.26 -1.83 0.16 0.00 0.02 0.00 0.00 34.50 32.59 2wba s PRO 398 CO 0.21 -1.80 1.75 1.25 -0.33 0.00 0.00 177.00 178.08 2wba h LEU 399 N -0.04 0.17 -2.50 -5.54 5.85 -1.99 -1.61 115.31 109.65 2wba h LEU 399 Ca -0.49 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2wba h LEU 399 Cb 1.31 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 2wba h LEU 399 CO 0.50 0.12 -0.02 0.00 -0.34 0.00 0.00 178.44 178.71 2wba h MET 400 N 0.34 0.00 0.00 1.25 -0.00 -2.00 -1.34 114.93 113.19 2wba h MET 400 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.93 2wba h MET 400 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 2wba h MET 400 CO -0.24 0.02 -0.62 0.45 -0.00 0.00 0.00 176.91 176.52 2wba h HIS 401 N 0.00 0.00 -0.35 -0.10 3.86 -1.61 0.69 115.15 117.64 2wba h HIS 401 Ca -0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2wba h HIS 401 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2wba h HIS 401 CO 0.00 0.00 -0.39 -0.91 0.86 0.00 0.00 177.93 177.49 2wba h ASN 402 N 0.00 0.89 -0.09 2.45 2.35 -1.10 -2.57 115.58 117.51 2wba h ASN 402 Ca 0.00 -0.40 -0.20 0.00 -0.55 0.00 0.00 56.30 55.14 2wba h ASN 402 Cb 0.79 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2wba h ASN 402 CO 0.00 1.17 -0.70 0.40 -1.65 0.00 0.00 177.43 176.65 2wba h ILE 403 N 0.69 1.30 0.00 2.81 2.04 -1.37 -3.25 117.51 119.73 2wba h ILE 403 Ca 0.06 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 63.95 2wba h ILE 403 Cb 0.95 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2wba h ILE 403 CO 0.09 0.61 -0.15 0.77 0.00 0.00 0.00 178.15 179.47 2wba h SER 404 N 0.52 0.00 0.00 1.72 4.64 -0.93 -3.39 113.55 116.11 2wba h SER 404 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2wba h SER 404 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2wba h SER 404 CO 0.14 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 2wba n GLY 405 N -0.14 1.36 2.73 -0.77 0.00 -1.12 -4.53 105.19 102.72 2wba n GLY 405 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wba n GLY 405 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wba n SER 406 N 0.00 5.05 0.28 1.61 7.64 -0.98 -4.71 113.62 122.50 2wba n SER 406 Ca 0.00 -2.95 0.17 0.00 1.01 0.00 0.00 58.87 57.10 2wba n SER 406 Cb 0.00 -1.56 0.67 0.00 -1.01 0.00 0.00 64.21 62.31 2wba n SER 406 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2wba h LYS 407 N 5.71 0.00 0.00 1.43 1.57 -1.89 -2.64 116.57 120.76 2wba h LYS 407 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 2wba h LYS 407 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2wba h LYS 407 CO 1.75 0.00 0.00 0.10 -0.57 0.00 0.00 179.45 180.73 2wba h TYR 408 N 0.00 0.00 0.00 -1.35 -0.00 -1.89 -3.40 116.97 110.33 2wba h TYR 408 Ca -0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.73 58.04 2wba h TYR 408 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.24 2wba h TYR 408 CO 0.00 0.00 3.00 1.63 -0.00 0.00 0.00 178.16 182.79 2wba n LYS 409 N -2.59 2.61 -2.27 0.10 5.02 -1.00 -4.83 118.16 115.20 2wba n LYS 409 Ca 0.02 -2.41 -0.42 0.00 -2.02 0.00 0.00 58.31 53.49 2wba n LYS 409 Cb 0.30 -3.17 -0.03 0.00 -0.02 0.00 0.00 35.03 32.11 2wba n LYS 409 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wba s LYS 410 N 3.52 4.37 -0.07 1.97 1.02 -1.26 -4.30 119.74 124.98 2wba s LYS 410 Ca 0.50 1.96 -0.26 0.00 0.02 0.00 0.00 55.97 58.20 2wba s LYS 410 Cb 0.14 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2wba s LYS 410 CO -0.04 -0.35 0.80 0.12 -0.92 0.00 0.00 175.35 174.96 2wba s PHE 411 N 0.98 3.57 -0.13 3.18 5.36 -0.28 -4.74 117.98 125.92 2wba s PHE 411 Ca 0.62 1.37 -0.01 0.00 -0.96 0.00 0.00 56.93 57.94 2wba s PHE 411 Cb -0.34 -2.93 -0.02 0.00 -0.34 0.00 0.00 43.02 39.38 2wba s PHE 411 CO 0.31 -0.01 -0.08 0.08 -1.46 0.00 0.00 175.22 174.06 2wba s VAL 412 N 1.15 3.52 -0.09 3.12 1.01 -0.12 -2.66 120.40 126.33 2wba s VAL 412 Ca 0.42 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2wba s VAL 412 Cb -0.18 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2wba s VAL 412 CO 0.19 0.53 -0.02 0.00 0.00 0.00 0.00 175.10 175.80 2wba s ALA 413 N 0.10 0.93 -0.02 5.51 0.00 -0.24 -0.85 121.76 127.18 2wba s ALA 413 Ca -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.68 2wba s ALA 413 Cb -0.14 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2wba s ALA 413 CO 0.04 -0.49 -0.15 0.15 0.00 0.00 0.00 175.76 175.30 2wba s LYS 414 N 1.88 1.39 -0.10 0.00 1.02 -0.06 -1.17 119.74 122.70 2wba s LYS 414 Ca 0.05 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.53 2wba s LYS 414 Cb -0.13 -1.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.90 2wba s LYS 414 CO -0.06 0.28 -0.21 0.42 -0.92 0.00 0.00 175.35 174.86 2wba s ILE 415 N -0.17 1.83 -0.17 2.17 1.01 -0.32 -1.01 121.20 124.54 2wba s ILE 415 Ca 0.02 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 2wba s ILE 415 Cb -0.08 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 2wba s ILE 415 CO 0.00 0.51 -0.02 -0.69 0.00 0.00 0.00 174.94 174.74 2wba s VAL 416 N 0.52 4.00 0.17 2.92 1.01 0.24 -0.74 120.40 128.51 2wba s VAL 416 Ca -0.16 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.60 2wba s VAL 416 Cb -0.17 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2wba s VAL 416 CO 0.06 0.47 -0.20 0.42 0.00 0.00 0.00 175.10 175.85 2wba s THR 417 N 0.53 1.92 -0.52 3.92 -4.23 -0.21 0.63 115.64 117.68 2wba s THR 417 Ca -0.02 -1.92 -0.28 0.00 -1.18 0.00 0.00 61.69 58.29 2wba s THR 417 Cb -0.14 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2wba s THR 417 CO 0.02 -0.26 1.53 0.21 -0.54 0.00 0.00 174.62 175.58 2wba s ASN 418 N -2.63 5.99 0.04 3.99 2.47 0.45 -1.78 114.94 123.48 2wba s ASN 418 Ca 0.16 0.49 0.18 0.00 0.42 0.00 0.00 52.86 54.10 2wba s ASN 418 Cb -0.06 -2.54 0.74 0.00 -1.45 0.00 0.00 41.25 37.94 2wba s ASN 418 CO 0.07 -1.78 1.56 1.57 -3.72 0.00 0.00 177.10 174.80 2wba n HIS 419 N 10.05 0.14 -0.16 0.43 -0.00 -0.24 -0.02 115.22 125.43 2wba n HIS 419 Ca 0.15 0.05 -0.08 0.00 -0.00 0.00 0.00 57.72 57.84 2wba n HIS 419 Cb 0.49 -0.59 0.06 0.00 -0.00 0.00 0.00 29.99 29.95 2wba n HIS 419 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2wba h SER 420 N 0.00 0.95 0.00 0.26 0.02 -1.91 -3.37 113.55 109.50 2wba h SER 420 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2wba h SER 420 Cb 0.30 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2wba h SER 420 CO 0.00 1.05 0.00 -0.90 -1.14 0.00 0.00 176.83 175.84 2wba n ASP 421 N -4.16 0.40 0.00 3.07 5.75 -1.08 -5.02 116.55 115.50 2wba n ASP 421 Ca 0.02 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 2wba n ASP 421 Cb 0.37 0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2wba n ASP 421 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wba n GLY 422 N 0.08 0.99 3.68 6.12 0.00 0.98 -4.93 105.19 112.10 2wba n GLY 422 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2wba n GLY 422 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wba n THR 423 N -2.00 0.23 -2.36 2.61 -1.04 -1.19 -0.87 114.28 109.66 2wba n THR 423 Ca 0.00 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.05 61.54 2wba n THR 423 Cb 0.00 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 66.75 2wba n THR 423 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wba s VAL 424 N 2.16 4.14 -0.16 12.58 1.01 -0.24 -0.41 120.40 139.48 2wba s VAL 424 Ca 0.84 1.41 0.15 0.00 0.00 0.00 0.00 61.98 64.38 2wba s VAL 424 Cb -0.65 -3.91 -0.24 0.00 0.00 0.00 0.00 36.38 31.57 2wba s VAL 424 CO 0.42 -0.09 0.20 0.18 0.00 0.00 0.00 175.10 175.81 2wba n LEU 425 N 6.28 0.45 -3.56 3.92 4.77 0.21 -4.86 117.00 124.22 2wba n LEU 425 Ca 0.14 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.07 2wba n LEU 425 Cb 0.45 0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2wba n LEU 425 CO 0.57 0.51 0.56 -0.83 -1.33 0.00 0.00 177.39 176.86 2wba s GLY 426 N -5.46 -0.46 -0.04 -0.72 0.00 -0.93 -1.20 107.32 98.50 2wba s GLY 426 Ca -0.10 1.69 0.03 0.00 0.00 0.00 0.00 44.72 46.34 2wba s GLY 426 CO 0.81 1.12 -0.12 0.14 0.00 0.00 0.00 173.10 175.05 2wba s VAL 427 N -0.91 1.06 -0.06 1.40 1.01 0.36 -0.59 120.40 122.67 2wba s VAL 427 Ca -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2wba s VAL 427 Cb -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2wba s VAL 427 CO 0.06 0.33 -0.01 -1.00 0.00 0.00 0.00 175.10 174.47 2wba s HIS 428 N 0.35 0.64 -0.00 5.22 3.76 -0.18 -1.27 115.29 123.81 2wba s HIS 428 Ca -0.08 -0.15 0.06 0.00 -0.15 0.00 0.00 55.06 54.74 2wba s HIS 428 Cb -0.12 -0.72 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 2wba s HIS 428 CO 0.02 -0.27 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.95 2wba s LEU 429 N 1.64 2.06 -0.06 0.89 1.43 0.63 -0.88 118.68 124.40 2wba s LEU 429 Ca -0.00 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2wba s LEU 429 Cb -0.13 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.23 2wba s LEU 429 CO -0.04 0.19 -0.01 -0.22 0.23 0.00 0.00 176.35 176.51 2wba s LEU 430 N -0.58 0.87 0.00 1.79 2.96 -0.03 -1.27 118.68 122.42 2wba s LEU 430 Ca 0.06 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2wba s LEU 430 Cb -0.07 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.21 2wba s LEU 430 CO -0.00 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.50 2wba n GLY 431 N 4.70 2.41 3.68 7.98 0.00 -0.48 -0.95 105.19 122.54 2wba n GLY 431 Ca -0.15 -1.69 -0.45 0.00 0.00 0.00 0.00 46.02 43.74 2wba n GLY 431 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wba n ASP 432 N 0.00 3.30 0.00 1.61 8.00 -1.26 -1.61 116.55 126.58 2wba n ASP 432 Ca 0.00 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2wba n ASP 432 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 2wba n ASP 432 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wba n GLY 433 N 3.33 1.34 0.30 0.44 0.00 -1.26 -4.96 105.19 104.38 2wba n GLY 433 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 2wba n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wba h ALA 434 N 0.00 1.22 -0.43 4.61 0.00 -1.59 -0.46 119.26 122.61 2wba h ALA 434 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2wba h ALA 434 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wba h ALA 434 CO 0.00 -0.13 0.06 -1.35 0.00 0.00 0.00 179.25 177.83 2wba h PRO 435 N 0.57 0.66 -0.03 0.00 0.11 -1.85 -2.48 132.00 128.99 2wba h PRO 435 Ca 0.45 -0.14 -0.18 0.00 0.11 0.00 0.00 66.00 66.24 2wba h PRO 435 Cb 0.65 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2wba h PRO 435 CO -0.38 0.64 -0.79 0.93 -0.21 0.00 0.00 178.00 178.19 2wba h GLU 436 N 0.64 0.25 -0.34 1.05 4.39 -1.54 -3.25 114.58 115.77 2wba h GLU 436 Ca 0.14 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 2wba h GLU 436 Cb 0.31 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2wba h GLU 436 CO 0.00 0.92 -0.40 0.82 -1.16 0.00 0.00 179.01 179.19 2wba h ILE 437 N 0.15 1.28 0.00 3.13 2.04 -1.01 -3.29 117.51 119.82 2wba h ILE 437 Ca -0.03 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 2wba h ILE 437 Cb 1.38 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 2wba h ILE 437 CO 0.12 0.52 -0.09 -0.29 0.00 0.00 0.00 178.15 178.42 2wba h ILE 438 N 0.67 0.20 0.27 -0.67 6.09 -1.48 -3.33 117.51 119.27 2wba h ILE 438 Ca 0.05 -0.88 0.01 0.00 -1.37 0.00 0.00 64.86 62.67 2wba h ILE 438 Cb 0.97 1.74 -0.03 0.00 0.47 0.00 0.00 36.82 39.98 2wba h ILE 438 CO 0.09 0.09 -0.36 -0.61 -3.07 0.00 0.00 178.15 174.29 2wba h GLN 439 N 0.00 -0.66 0.00 2.19 5.75 -1.64 -1.46 115.11 119.29 2wba h GLN 439 Ca -0.00 0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 2wba h GLN 439 Cb 0.73 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.43 2wba h GLN 439 CO 0.01 -0.44 -0.05 0.00 -2.65 0.00 0.00 178.83 175.70 2wba h ALA 440 N -0.19 1.03 -0.72 3.38 0.00 -1.81 -1.72 119.26 119.23 2wba h ALA 440 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wba h ALA 440 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2wba h ALA 440 CO -0.11 0.07 0.33 0.28 0.00 0.00 0.00 179.25 179.81 2wba h VAL 441 N 0.00 1.23 -1.00 0.00 2.07 -1.42 -1.64 116.25 115.50 2wba h VAL 441 Ca -0.00 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.89 2wba h VAL 441 Cb 0.50 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2wba h VAL 441 CO 0.01 0.28 0.65 1.23 0.02 0.00 0.00 177.57 179.76 2wba h GLY 442 N 1.09 1.49 1.07 2.17 0.00 -0.34 -1.40 103.07 107.14 2wba h GLY 442 Ca 0.25 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2wba h GLY 442 CO -0.03 0.39 0.24 -2.08 0.00 0.00 0.00 176.54 175.05 2wba h VAL 443 N 1.22 1.26 -0.93 4.60 2.07 -1.38 -2.51 116.25 120.58 2wba h VAL 443 Ca 0.41 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2wba h VAL 443 Cb 0.07 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2wba h VAL 443 CO -0.15 0.36 0.58 0.00 0.02 0.00 0.00 177.57 178.38 2wba h LEU 445 N 1.28 0.31 -1.25 0.00 4.07 -1.17 -1.50 115.31 117.06 2wba h LEU 445 Ca 0.34 -0.20 0.07 0.00 0.08 0.00 0.00 57.88 58.17 2wba h LEU 445 Cb -0.08 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.51 2wba h LEU 445 CO -0.07 0.90 0.55 -0.09 -1.08 0.00 0.00 178.44 178.65 2wba h ARG 446 N 0.19 0.86 -0.42 1.13 2.43 -1.22 -1.48 114.38 115.87 2wba h ARG 446 Ca -0.02 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wba h ARG 446 Cb 1.23 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 2wba h ARG 446 CO 0.11 0.57 0.00 1.28 -1.51 0.00 0.00 179.97 180.42 2wba n LEU 447 N -4.50 1.75 -3.82 3.80 4.77 -0.94 -4.90 117.00 113.17 2wba n LEU 447 Ca 0.13 -0.88 -0.28 0.00 -0.03 0.00 0.00 56.01 54.95 2wba n LEU 447 Cb 0.24 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2wba n LEU 447 CO 0.33 0.36 0.14 0.59 -1.33 0.00 0.00 177.39 177.48 2wba n ASN 448 N 0.26 -5.15 -4.56 -1.43 3.02 -0.56 -4.91 115.26 101.94 2wba n ASN 448 Ca 0.09 -0.71 -0.41 0.00 -0.03 0.00 0.00 54.58 53.52 2wba n ASN 448 Cb 0.32 -4.22 0.01 0.00 -0.61 0.00 0.00 39.78 35.28 2wba n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wba n ALA 449 N -4.77 -0.40 -2.48 5.41 0.00 -0.61 -4.75 120.51 112.91 2wba n ALA 449 Ca 0.02 0.19 -0.20 0.00 0.00 0.00 0.00 53.44 53.44 2wba n ALA 449 Cb 0.54 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 2wba n ALA 449 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wba s LYS 450 N -1.94 2.86 0.39 0.00 1.02 -1.26 -1.08 119.74 119.74 2wba s LYS 450 Ca 0.64 -1.20 0.08 0.00 0.02 0.00 0.00 55.97 55.52 2wba s LYS 450 Cb -0.56 -2.60 0.84 0.00 -0.52 0.00 0.00 37.83 34.99 2wba s LYS 450 CO 0.56 0.07 1.99 0.97 -0.92 0.00 0.00 175.35 178.03 2wba h ILE 451 N 1.11 1.01 -0.12 2.17 6.09 -1.34 -2.01 117.51 124.43 2wba h ILE 451 Ca -0.45 -0.21 -0.08 0.00 -1.37 0.00 0.00 64.86 62.75 2wba h ILE 451 Cb 1.25 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.88 2wba h ILE 451 CO 0.56 0.11 -0.27 0.77 -3.07 0.00 0.00 178.15 176.26 2wba h SER 452 N 0.62 0.22 -0.12 2.19 4.64 -1.95 -0.25 113.55 118.90 2wba h SER 452 Ca 0.26 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2wba h SER 452 Cb 0.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2wba h SER 452 CO -0.08 0.50 0.06 0.44 -0.87 0.00 0.00 176.83 176.88 2wba h ASP 453 N 0.20 0.20 0.10 4.97 3.32 -1.76 0.14 116.42 123.59 2wba h ASP 453 Ca 0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wba h ASP 453 Cb 0.59 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2wba h ASP 453 CO 0.04 0.19 -0.05 -0.26 -1.72 0.00 0.00 179.24 177.44 2wba h PHE 454 N 0.22 -0.13 0.00 4.55 -1.00 -1.00 -3.16 116.94 116.42 2wba h PHE 454 Ca 0.06 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 2wba h PHE 454 Cb 0.06 0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2wba h PHE 454 CO 0.00 0.36 0.00 0.10 -1.61 0.00 0.00 178.31 177.17 2wba h TYR 455 N -0.90 0.00 -0.00 -0.55 -0.00 -1.18 -2.20 116.97 112.13 2wba h TYR 455 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.72 2wba h TYR 455 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 2wba h TYR 455 CO 0.11 0.00 -0.15 0.09 -0.00 0.00 0.00 178.16 178.21 2wba n ASN 456 N -2.71 0.65 -4.75 0.10 3.02 0.50 -4.80 115.26 107.26 2wba n ASN 456 Ca 0.03 -0.68 -0.40 0.00 -0.03 0.00 0.00 54.58 53.51 2wba n ASN 456 Cb 0.40 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.51 2wba n ASN 456 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wba s THR 457 N -2.48 4.73 0.03 3.41 2.01 -0.83 -5.03 115.64 117.48 2wba s THR 457 Ca 0.28 1.59 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 2wba s THR 457 Cb 0.20 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2wba s THR 457 CO 0.49 0.38 1.06 -0.63 -0.69 0.00 0.00 174.62 175.22 2wba s ILE 458 N -0.13 4.55 0.70 1.82 1.01 -1.26 -4.88 121.20 123.01 2wba s ILE 458 Ca 0.38 1.84 -0.15 0.00 0.00 0.00 0.00 60.65 62.72 2wba s ILE 458 Cb -0.20 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.11 2wba s ILE 458 CO 0.23 0.15 1.16 -0.83 0.00 0.00 0.00 174.94 175.64 2wba s GLY 459 N 1.00 2.25 -0.23 6.18 0.00 -1.26 -5.03 107.32 110.23 2wba s GLY 459 Ca 0.54 0.72 -0.14 0.00 0.00 0.00 0.00 44.72 45.84 2wba s GLY 459 CO 0.29 1.10 0.33 0.14 0.00 0.00 0.00 173.10 174.95 2wba s VAL 460 N -2.16 5.24 -0.05 1.40 1.01 -1.26 -5.08 120.40 119.50 2wba s VAL 460 Ca 0.71 0.53 0.05 0.00 0.00 0.00 0.00 61.98 63.27 2wba s VAL 460 Cb -0.25 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2wba s VAL 460 CO 0.43 0.25 -0.21 -2.28 0.00 0.00 0.00 175.10 173.30 2wba s HIS 461 N 1.43 2.07 -0.15 5.22 5.04 -1.26 -3.06 115.29 124.59 2wba s HIS 461 Ca 0.15 -0.60 -0.14 0.00 -1.54 0.00 0.00 55.06 52.93 2wba s HIS 461 Cb -0.15 -1.37 -0.05 0.00 0.04 0.00 0.00 32.58 31.05 2wba s HIS 461 CO 0.08 -0.19 0.31 -1.25 -2.34 0.00 0.00 174.74 171.35 2wba s PRO 462 N -0.08 4.21 0.21 2.88 0.05 -1.26 -5.19 135.00 135.81 2wba s PRO 462 Ca -0.03 0.13 -0.02 0.00 0.05 0.00 0.00 61.00 61.13 2wba s PRO 462 Cb -0.12 -3.40 -0.04 0.00 0.05 0.00 0.00 34.50 30.99 2wba s PRO 462 CO 0.03 0.28 0.17 0.95 0.05 0.00 0.00 177.00 178.48 2wba s THR 463 N 0.33 0.00 0.14 1.26 -4.23 -1.17 -5.04 115.64 106.93 2wba s THR 463 Ca 0.18 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 2wba s THR 463 Cb -0.13 -2.47 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 2wba s THR 463 CO 0.05 0.00 1.33 0.28 -0.54 0.00 0.00 174.62 175.73 2wba h SER 464 N 2.57 0.19 0.22 3.99 0.02 -1.93 -3.35 113.55 115.26 2wba h SER 464 Ca -0.35 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 2wba h SER 464 Cb 1.25 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2wba h SER 464 CO 0.51 1.04 -0.18 0.00 -1.14 0.00 0.00 176.83 177.06 2wba h ALA 465 N 0.95 1.60 0.00 3.77 0.00 -1.96 -2.60 119.26 121.02 2wba h ALA 465 Ca -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wba h ALA 465 Cb 1.63 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2wba h ALA 465 CO 0.14 0.22 -0.02 1.05 0.00 0.00 0.00 179.25 180.64 2wba h GLU 466 N 0.00 0.00 -0.75 0.00 4.11 -1.78 -1.75 114.58 114.41 2wba h GLU 466 Ca -0.00 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.58 2wba h GLU 466 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2wba h GLU 466 CO 0.02 0.02 0.50 0.93 0.07 0.00 0.00 179.01 180.56 2wba h GLU 467 N 0.00 0.37 0.00 1.06 4.39 -1.70 0.33 114.58 119.03 2wba h GLU 467 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2wba h GLU 467 Cb 0.18 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2wba h GLU 467 CO 0.00 0.25 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.98 2wba h LEU 468 N 0.38 0.00 -2.56 1.33 3.38 -1.53 -2.58 115.31 113.74 2wba h LEU 468 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2wba h LEU 468 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2wba h LEU 468 CO -0.11 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.47 2wba n SER 470 N 1.10 2.56 -4.10 0.00 7.64 -0.97 -4.27 113.62 115.58 2wba n SER 470 Ca 0.17 -2.73 -0.33 0.00 1.01 0.00 0.00 58.87 56.99 2wba n SER 470 Cb 0.51 -0.33 -0.15 0.00 -1.01 0.00 0.00 64.21 63.24 2wba n SER 470 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2wba s MET 471 N -2.28 2.33 -0.09 1.43 -1.94 -1.25 -4.94 119.30 112.57 2wba s MET 471 Ca 0.25 -1.30 0.07 0.00 -1.71 0.00 0.00 55.69 53.01 2wba s MET 471 Cb 0.21 -2.93 -0.10 0.00 2.01 0.00 0.00 34.83 34.01 2wba s MET 471 CO 0.04 -0.56 0.02 0.54 -0.01 0.00 0.00 175.02 175.06 2wba n ARG 472 N 4.48 2.52 -4.15 2.03 1.74 -1.26 -4.71 116.66 117.31 2wba n ARG 472 Ca -0.14 -0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.59 2wba n ARG 472 Cb 0.43 -1.22 -0.13 0.00 -1.02 0.00 0.00 32.46 30.52 2wba n ARG 472 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wba s THR 473 N -2.21 3.59 0.48 0.55 2.01 -1.26 -5.09 115.64 113.71 2wba s THR 473 Ca -0.05 -0.44 -0.22 0.00 0.31 0.00 0.00 61.69 61.29 2wba s THR 473 Cb 0.03 -2.61 -0.09 0.00 0.01 0.00 0.00 72.50 69.84 2wba s THR 473 CO 0.35 0.45 1.00 -2.65 -0.69 0.00 0.00 174.62 173.07 2wba n PRO 474 N 4.27 1.24 0.11 4.92 -0.02 -1.26 -4.87 135.00 139.39 2wba n PRO 474 Ca -0.18 0.45 -0.18 0.00 -2.02 0.00 0.00 63.50 61.57 2wba n PRO 474 Cb 0.52 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.76 2wba n PRO 474 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2wba h SER 475 N 1.22 0.55 -5.18 2.55 0.02 -0.64 -3.49 113.55 108.58 2wba h SER 475 Ca -0.46 -0.57 0.08 0.00 -0.84 0.00 0.00 61.79 60.00 2wba h SER 475 Cb 1.34 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.68 2wba h SER 475 CO 0.55 1.44 0.39 -0.72 -1.14 0.00 0.00 176.83 177.35 2wba s TYR 476 N -2.69 0.01 0.19 3.45 -0.85 -1.14 -4.78 117.35 111.53 2wba s TYR 476 Ca -0.05 -0.51 0.03 0.00 -0.52 0.00 0.00 57.07 56.02 2wba s TYR 476 Cb 0.06 0.74 -0.05 0.00 0.38 0.00 0.00 41.96 43.10 2wba s TYR 476 CO 0.90 -1.20 -0.04 0.71 -1.52 0.00 0.00 175.55 174.40 2wba s TYR 477 N -2.72 1.37 -0.17 -3.49 1.51 0.86 -1.43 117.35 113.28 2wba s TYR 477 Ca 0.16 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 2wba s TYR 477 Cb -0.04 -0.76 0.01 0.00 -0.11 0.00 0.00 41.96 41.06 2wba s TYR 477 CO 0.07 -0.04 -0.19 0.71 -1.11 0.00 0.00 175.55 175.00 2wba s TYR 478 N -3.44 2.78 -0.39 2.71 2.02 -0.36 -1.09 117.35 119.58 2wba s TYR 478 Ca 0.23 -1.50 -0.07 0.00 -0.37 0.00 0.00 57.07 55.36 2wba s TYR 478 Cb 0.05 -1.91 0.07 0.00 -0.40 0.00 0.00 41.96 39.76 2wba s TYR 478 CO 0.05 -0.73 0.19 0.08 -1.57 0.00 0.00 175.55 173.57 2wba s VAL 479 N 1.19 3.92 -1.47 0.71 1.01 -0.53 -1.67 120.40 123.56 2wba s VAL 479 Ca 0.02 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 2wba s VAL 479 Cb -0.14 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2wba s VAL 479 CO -0.09 -0.40 0.40 0.29 0.00 0.00 0.00 175.10 175.29 2wba n LYS 480 N 4.83 -2.89 0.00 2.72 5.02 0.20 -2.20 118.16 125.84 2wba n LYS 480 Ca -0.10 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2wba n LYS 480 Cb 0.43 -4.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.99 2wba n LYS 480 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wba n GLY 481 N -2.00 1.27 3.52 0.72 0.00 -1.25 -5.03 105.19 102.41 2wba n GLY 481 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2wba n GLY 481 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wba s GLU 482 N -0.67 3.41 0.19 1.61 2.12 -0.94 -5.02 118.70 119.42 2wba s GLU 482 Ca 0.00 -0.56 -0.30 0.00 0.36 0.00 0.00 54.97 54.47 2wba s GLU 482 Cb 0.00 -3.85 -0.09 0.00 0.26 0.00 0.00 34.13 30.45 2wba s GLU 482 CO 0.00 -0.60 1.39 0.21 -0.54 0.00 0.00 175.26 175.72 2wba s LYS 483 N 1.99 4.32 -0.04 4.30 2.20 -1.26 -1.45 119.74 129.80 2wba s LYS 483 Ca 0.11 2.16 -0.26 0.00 -0.36 0.00 0.00 55.97 57.62 2wba s LYS 483 Cb -0.17 -3.18 0.06 0.00 -1.51 0.00 0.00 37.83 33.03 2wba s LYS 483 CO 0.12 -0.38 0.56 0.00 -0.36 0.00 0.00 175.35 175.29 2wba s MET 484 N 0.18 0.93 0.12 4.03 0.23 -0.25 -4.98 119.30 119.57 2wba s MET 484 Ca 0.60 0.12 -0.14 0.00 -1.03 0.00 0.00 55.69 55.24 2wba s MET 484 Cb -0.39 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.31 2wba s MET 484 CO 0.37 -0.28 1.52 1.49 -2.03 0.00 0.00 175.02 176.09 2wba h GLU 485 N 3.29 0.74 -5.34 3.16 4.22 -1.86 0.24 114.58 119.03 2wba h GLU 485 Ca -0.28 -0.29 -0.40 0.00 0.08 0.00 0.00 59.36 58.47 2wba h GLU 485 Cb 1.15 -0.04 -0.20 0.00 0.50 0.00 0.00 28.75 30.17 2wba h GLU 485 CO 0.39 0.89 -0.77 0.15 -2.18 0.00 0.00 179.01 177.50 2wba s LYS 486 N -4.75 0.91 0.36 1.92 1.02 -1.26 -4.32 119.74 113.63 2wba s LYS 486 Ca -0.13 -1.10 -0.27 0.00 0.02 0.00 0.00 55.97 54.49 2wba s LYS 486 Cb 0.10 -0.83 -0.09 0.00 -0.52 0.00 0.00 37.83 36.49 2wba s LYS 486 CO 0.81 0.17 1.20 -0.51 -0.92 0.00 0.00 175.35 176.10 2wba s LEU 487 N -2.13 4.32 0.36 3.17 1.43 -1.26 -4.95 118.68 119.62 2wba s LEU 487 Ca 0.04 2.44 -0.26 0.00 -1.03 0.00 0.00 54.13 55.32 2wba s LEU 487 Cb -0.07 -3.85 -0.13 0.00 0.03 0.00 0.00 46.19 42.18 2wba s LEU 487 CO 0.02 -0.56 0.91 -2.65 0.23 0.00 0.00 176.35 174.31 2wba n PRO 488 N 0.46 1.18 -0.38 1.29 -0.02 -1.26 -4.82 135.00 131.44 2wba n PRO 488 Ca 0.02 0.42 0.32 0.00 -2.02 0.00 0.00 63.50 62.24 2wba n PRO 488 Cb 0.45 -1.83 0.63 0.00 -0.02 0.00 0.00 33.50 32.72 2wba n PRO 488 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2wba h ASP 489 N 1.59 0.26 0.00 2.55 3.58 -2.08 -3.56 116.42 118.75 2wba h ASP 489 Ca -0.41 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2wba h ASP 489 Cb 1.35 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.45 2wba h ASP 489 CO 0.57 -0.02 0.00 -1.54 -2.88 0.00 0.00 179.24 175.37