#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ipw s ARG 3 N 0.00 0.32 -0.02 4.33 0.52 -1.26 -1.79 118.95 121.04 2ipw s ARG 3 Ca 0.00 -0.24 -0.05 0.00 -0.52 0.00 0.00 55.73 54.92 2ipw s ARG 3 Cb 0.00 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 2ipw s ARG 3 CO 0.00 0.06 0.21 -0.51 0.02 0.00 0.00 175.30 175.08 2ipw s LEU 4 N -0.36 4.38 -0.04 2.53 1.43 0.87 -4.81 118.68 122.67 2ipw s LEU 4 Ca -0.01 0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 53.28 2ipw s LEU 4 Cb -0.03 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2ipw s LEU 4 CO -0.00 0.29 0.86 -0.22 0.23 0.00 0.00 176.35 177.51 2ipw s LEU 5 N -1.68 4.33 0.27 1.79 1.98 -1.26 -0.14 118.68 123.97 2ipw s LEU 5 Ca 0.25 1.44 -0.00 0.00 -2.89 0.00 0.00 54.13 52.92 2ipw s LEU 5 Cb -0.13 -3.36 -0.04 0.00 0.66 0.00 0.00 46.19 43.33 2ipw s LEU 5 CO 0.15 -0.22 0.46 -0.76 -1.89 0.00 0.00 176.35 174.09 2ipw s LEU 6 N 1.06 4.14 0.00 -0.68 1.43 0.02 -4.94 118.68 119.70 2ipw s LEU 6 Ca 0.45 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 2ipw s LEU 6 Cb -0.19 -3.24 0.25 0.00 0.03 0.00 0.00 46.19 43.04 2ipw s LEU 6 CO 0.23 -0.15 0.84 -0.46 0.23 0.00 0.00 176.35 177.04 2ipw n ASN 7 N -1.14 0.00 -0.84 2.29 2.04 -1.26 -1.09 115.26 115.26 2ipw n ASN 7 Ca -0.05 0.02 0.10 0.00 -0.44 0.00 0.00 54.58 54.21 2ipw n ASN 7 Cb 0.55 -0.13 0.10 0.00 -2.53 0.00 0.00 39.78 37.78 2ipw n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2ipw n ASN 8 N -1.13 2.78 0.00 0.53 2.04 -1.26 -4.97 115.26 113.25 2ipw n ASN 8 Ca 0.03 -1.86 0.00 0.00 -0.44 0.00 0.00 54.58 52.31 2ipw n ASN 8 Cb 0.02 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.23 2ipw n ASN 8 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2ipw n GLY 9 N 1.16 1.32 3.86 4.83 0.00 -0.25 -5.07 105.19 111.05 2ipw n GLY 9 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2ipw n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ipw s ALA 10 N -2.30 3.11 -0.21 4.61 0.00 -1.26 -4.79 121.76 120.93 2ipw s ALA 10 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.89 2ipw s ALA 10 Cb 0.00 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 2ipw s ALA 10 CO 0.00 -0.48 -0.01 0.15 0.00 0.00 0.00 175.76 175.42 2ipw s LYS 11 N -4.71 3.55 -0.26 0.00 1.02 -1.26 -0.80 119.74 117.28 2ipw s LYS 11 Ca 0.56 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.91 2ipw s LYS 11 Cb -0.11 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2ipw s LYS 11 CO 0.45 -0.05 0.14 1.41 -0.92 0.00 0.00 175.35 176.37 2ipw s MET 12 N 1.16 3.87 0.09 1.68 -2.45 0.81 -4.86 119.30 119.60 2ipw s MET 12 Ca 0.03 -0.37 -0.32 0.00 -1.25 0.00 0.00 55.69 53.78 2ipw s MET 12 Cb -0.14 -3.49 -0.11 0.00 1.25 0.00 0.00 34.83 32.33 2ipw s MET 12 CO 0.01 -0.11 1.82 -2.30 1.05 0.00 0.00 175.02 175.49 2ipw n PRO 13 N 4.77 2.63 0.25 4.11 -0.02 -1.26 -0.09 135.00 145.40 2ipw n PRO 13 Ca -0.15 0.96 0.16 0.00 -2.02 0.00 0.00 63.50 62.45 2ipw n PRO 13 Cb 0.52 -2.84 0.86 0.00 -0.02 0.00 0.00 33.50 32.03 2ipw n PRO 13 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2ipw h ILE 14 N 4.71 0.51 -3.46 4.25 2.10 -1.71 -3.40 117.51 120.51 2ipw h ILE 14 Ca -0.47 0.00 -0.66 0.00 1.08 0.00 0.00 64.86 64.81 2ipw h ILE 14 Cb 1.23 0.92 -0.26 0.00 -1.09 0.00 0.00 36.82 37.62 2ipw h ILE 14 CO 0.94 0.00 -0.76 -0.22 -1.08 0.00 0.00 178.15 177.03 2ipw s LEU 15 N -7.67 2.74 0.14 2.19 2.96 -1.26 -0.18 118.68 117.60 2ipw s LEU 15 Ca -0.05 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2ipw s LEU 15 Cb 0.15 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.19 2ipw s LEU 15 CO 0.55 0.20 0.04 -0.83 -1.32 0.00 0.00 176.35 174.99 2ipw s GLY 16 N 0.12 1.05 -0.24 7.98 0.00 -0.05 -4.29 107.32 111.90 2ipw s GLY 16 Ca -0.06 -1.51 -0.07 0.00 0.00 0.00 0.00 44.72 43.08 2ipw s GLY 16 CO 0.05 -1.41 0.07 -2.27 0.00 0.00 0.00 173.10 169.53 2ipw s LEU 17 N -3.09 3.53 0.44 0.66 2.96 0.14 -3.25 118.68 120.07 2ipw s LEU 17 Ca 0.24 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.86 2ipw s LEU 17 Cb 0.07 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 2ipw s LEU 17 CO 0.02 0.01 0.87 -0.83 -1.32 0.00 0.00 176.35 175.09 2ipw s GLY 18 N 1.37 2.10 0.00 7.98 0.00 -0.91 -0.65 107.32 117.21 2ipw s GLY 18 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2ipw s GLY 18 CO 0.04 0.28 0.78 -1.30 0.00 0.00 0.00 173.10 172.90 2ipw n THR 19 N -1.17 0.60 -2.42 0.90 -2.24 -1.16 -4.12 114.28 104.66 2ipw n THR 19 Ca 0.05 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 2ipw n THR 19 Cb 0.54 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 2ipw n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2ipw s TRP 20 N -0.60 3.44 0.00 4.78 -0.00 -1.26 -2.62 118.94 122.68 2ipw s TRP 20 Ca 0.00 1.30 0.00 0.00 -0.00 0.00 0.00 56.10 57.40 2ipw s TRP 20 Cb 0.00 -3.42 0.00 0.00 -0.00 0.00 0.00 33.47 30.05 2ipw s TRP 20 CO 0.00 -1.28 0.00 1.63 -0.00 0.00 0.00 176.95 177.30 2ipw n LYS 21 N 3.93 0.00 -2.62 5.86 5.02 -1.26 -4.99 118.16 124.10 2ipw n LYS 21 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 2ipw n LYS 21 Cb 0.46 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 2ipw n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2ipw s SER 22 N -3.21 6.90 0.46 4.39 0.01 -1.08 -4.99 113.70 116.17 2ipw s SER 22 Ca 0.00 1.05 -0.24 0.00 1.31 0.00 0.00 55.95 58.08 2ipw s SER 22 Cb 0.00 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 2ipw s SER 22 CO 0.00 -0.91 1.09 -2.65 0.41 0.00 0.00 173.24 171.19 2ipw n PRO 23 N 6.94 1.46 -0.01 12.44 -0.02 -1.26 -4.69 135.00 149.86 2ipw n PRO 23 Ca 0.12 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.21 2ipw n PRO 23 Cb 0.47 -2.19 0.48 0.00 -0.02 0.00 0.00 33.50 32.24 2ipw n PRO 23 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ipw h PRO 24 N 1.52 0.43 -0.14 0.52 0.11 -1.94 0.29 132.00 132.79 2ipw h PRO 24 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ipw h PRO 24 Cb 1.33 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ipw h PRO 24 CO 0.57 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2ipw n GLY 25 N -1.50 -0.26 0.00 -0.55 0.00 -1.26 -4.01 105.19 97.61 2ipw n GLY 25 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2ipw n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ipw n GLN 26 N -0.09 4.25 0.15 1.61 6.02 -0.46 -4.87 117.38 123.99 2ipw n GLN 26 Ca 0.09 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.10 2ipw n GLN 26 Cb 0.16 -0.62 0.22 0.00 1.02 0.00 0.00 30.24 31.02 2ipw n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2ipw h VAL 27 N 0.00 1.20 -0.31 5.09 3.04 -1.13 -1.99 116.25 122.15 2ipw h VAL 27 Ca 0.00 -1.95 -0.05 0.00 -1.01 0.00 0.00 66.70 63.70 2ipw h VAL 27 Cb 0.00 2.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 2ipw h VAL 27 CO 0.00 0.52 0.01 0.74 -1.01 0.00 0.00 177.57 177.83 2ipw h THR 28 N 0.00 1.25 -0.04 3.17 2.02 -1.76 -0.03 112.91 117.52 2ipw h THR 28 Ca -0.01 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.11 2ipw h THR 28 Cb 1.06 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2ipw h THR 28 CO 0.07 0.30 -0.58 -0.08 0.37 0.00 0.00 175.52 175.60 2ipw h GLU 29 N 0.35 0.13 -0.33 6.66 4.57 -1.90 -1.60 114.58 122.46 2ipw h GLU 29 Ca 0.09 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2ipw h GLU 29 Cb 0.43 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 2ipw h GLU 29 CO 0.01 0.68 -0.09 0.00 -1.18 0.00 0.00 179.01 178.43 2ipw h ALA 30 N 1.31 0.45 -0.22 2.92 0.00 -1.09 -1.69 119.26 120.94 2ipw h ALA 30 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2ipw h ALA 30 Cb 1.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2ipw h ALA 30 CO 0.08 0.30 -0.48 0.28 0.00 0.00 0.00 179.25 179.43 2ipw h VAL 31 N 0.42 1.31 -0.10 0.00 2.07 -0.93 -0.98 116.25 118.04 2ipw h VAL 31 Ca 0.08 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 2ipw h VAL 31 Cb 0.59 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2ipw h VAL 31 CO 0.03 0.53 0.05 0.11 0.02 0.00 0.00 177.57 178.32 2ipw h LYS 32 N 0.46 0.14 -0.66 1.57 1.57 -1.20 -0.88 116.57 117.57 2ipw h LYS 32 Ca 0.02 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2ipw h LYS 32 Cb 1.01 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2ipw h LYS 32 CO 0.09 0.18 0.21 0.28 -0.57 0.00 0.00 179.45 179.64 2ipw h VAL 33 N 0.07 1.25 -0.41 0.50 2.07 -1.27 -2.39 116.25 116.06 2ipw h VAL 33 Ca 0.04 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2ipw h VAL 33 Cb 0.08 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2ipw h VAL 33 CO -0.01 0.33 0.20 0.00 0.02 0.00 0.00 177.57 178.11 2ipw h ALA 34 N 1.08 0.51 -0.68 1.67 0.00 -0.89 0.04 119.26 121.00 2ipw h ALA 34 Ca 0.21 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2ipw h ALA 34 Cb 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2ipw h ALA 34 CO -0.01 -0.17 0.23 0.82 0.00 0.00 0.00 179.25 180.12 2ipw h ILE 35 N 0.40 1.25 -0.44 0.00 2.04 -0.98 0.39 117.51 120.17 2ipw h ILE 35 Ca 0.18 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 65.08 2ipw h ILE 35 Cb 0.10 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2ipw h ILE 35 CO -0.14 0.33 -0.23 0.44 0.00 0.00 0.00 178.15 178.55 2ipw h ASP 36 N 1.01 0.96 0.15 1.72 3.45 -1.01 -2.95 116.42 119.75 2ipw h ASP 36 Ca 0.22 -0.41 -0.05 0.00 0.43 0.00 0.00 57.03 57.23 2ipw h ASP 36 Cb 0.27 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2ipw h ASP 36 CO -0.01 1.16 -0.19 0.58 -1.57 0.00 0.00 179.24 179.21 2ipw h VAL 37 N 0.76 1.17 0.00 -1.35 2.07 -0.64 -3.46 116.25 114.80 2ipw h VAL 37 Ca 0.09 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2ipw h VAL 37 Cb 0.81 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2ipw h VAL 37 CO 0.07 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.50 2ipw n GLY 38 N -0.88 0.06 3.77 2.17 0.00 -0.58 -5.09 105.19 104.64 2ipw n GLY 38 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2ipw n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ipw s TYR 39 N -0.33 2.94 0.00 1.61 2.02 0.02 -4.92 117.35 118.69 2ipw s TYR 39 Ca 0.00 1.41 0.00 0.00 -0.37 0.00 0.00 57.07 58.11 2ipw s TYR 39 Cb 0.00 -3.68 0.00 0.00 -0.40 0.00 0.00 41.96 37.88 2ipw s TYR 39 CO 0.00 -1.97 0.57 0.54 -1.57 0.00 0.00 175.55 173.12 2ipw n ARG 40 N 0.48 0.78 -3.89 -0.62 5.12 -1.26 -4.25 116.66 113.01 2ipw n ARG 40 Ca 0.02 -0.72 -0.23 0.00 -1.93 0.00 0.00 57.85 54.99 2ipw n ARG 40 Cb 0.43 -0.70 -0.17 0.00 -1.16 0.00 0.00 32.46 30.85 2ipw n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ipw s HIS 41 N -0.30 0.86 -0.11 -1.55 2.46 -1.26 0.79 115.29 116.18 2ipw s HIS 41 Ca 0.00 -0.30 0.03 0.00 0.47 0.00 0.00 55.06 55.26 2ipw s HIS 41 Cb 0.00 -0.86 0.01 0.00 -0.13 0.00 0.00 32.58 31.59 2ipw s HIS 41 CO 0.00 -0.34 -0.20 0.42 -2.47 0.00 0.00 174.74 172.15 2ipw s ILE 42 N 1.68 1.86 -0.24 0.89 -1.09 -0.94 -0.68 121.20 122.66 2ipw s ILE 42 Ca 0.01 -0.88 -0.15 0.00 -2.23 0.00 0.00 60.65 57.40 2ipw s ILE 42 Cb -0.13 -1.64 -0.04 0.00 -1.58 0.00 0.00 42.46 39.08 2ipw s ILE 42 CO -0.05 0.51 0.38 -0.62 -1.23 0.00 0.00 174.94 173.94 2ipw s ASP 43 N 0.64 6.32 0.49 3.58 -1.08 0.17 -1.73 116.67 125.07 2ipw s ASP 43 Ca -0.12 0.37 0.02 0.00 -0.52 0.00 0.00 52.55 52.30 2ipw s ASP 43 Cb -0.16 -2.22 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 2ipw s ASP 43 CO 0.03 -0.14 0.04 0.00 0.52 0.00 0.00 175.17 175.62 2ipw s ALA 45 N -2.97 -2.19 0.21 0.00 0.00 -1.26 -3.74 121.76 111.82 2ipw s ALA 45 Ca 0.09 1.72 -0.10 0.00 0.00 0.00 0.00 51.96 53.66 2ipw s ALA 45 Cb 0.01 -1.72 0.16 0.00 0.00 0.00 0.00 23.12 21.57 2ipw s ALA 45 CO 0.05 -0.13 1.88 1.25 0.00 0.00 0.00 175.76 178.82 2ipw h HIS 46 N 3.36 0.96 0.00 0.00 -0.00 -1.98 -2.34 115.15 115.16 2ipw h HIS 46 Ca -0.27 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 2ipw h HIS 46 Cb 1.19 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2ipw h HIS 46 CO 0.24 0.60 0.00 -0.24 -0.00 0.00 0.00 177.93 178.53 2ipw h VAL 47 N 1.04 0.00 0.00 5.26 3.04 -1.97 -1.59 116.25 122.03 2ipw h VAL 47 Ca 0.28 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.84 2ipw h VAL 47 Cb -0.12 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.06 2ipw h VAL 47 CO -0.06 0.00 0.00 1.88 -1.01 0.00 0.00 177.57 178.38 2ipw h TYR 48 N 0.00 0.00 -5.45 3.17 0.05 -1.81 -3.47 116.97 109.46 2ipw h TYR 48 Ca 0.00 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.36 2ipw h TYR 48 Cb 0.16 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.93 2ipw h TYR 48 CO 0.00 0.00 -0.65 1.04 -1.05 0.00 0.00 178.16 177.50 2ipw n GLN 49 N -2.37 -5.49 -0.23 4.88 6.02 -0.60 -4.81 117.38 114.78 2ipw n GLN 49 Ca 0.03 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2ipw n GLN 49 Cb 0.29 -5.62 0.00 0.00 1.02 0.00 0.00 30.24 25.93 2ipw n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2ipw n ASN 50 N -2.67 0.00 0.12 1.08 2.04 -1.26 -4.85 115.26 109.72 2ipw n ASN 50 Ca -0.03 -1.25 0.02 0.00 -0.44 0.00 0.00 54.58 52.89 2ipw n ASN 50 Cb 0.57 -0.05 0.39 0.00 -2.53 0.00 0.00 39.78 38.16 2ipw n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2ipw h GLU 51 N 0.00 0.23 -0.63 -3.83 5.08 -1.89 -1.52 114.58 112.01 2ipw h GLU 51 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2ipw h GLU 51 Cb 1.10 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2ipw h GLU 51 CO 0.00 0.38 0.34 -0.97 -1.00 0.00 0.00 179.01 177.75 2ipw h ASN 52 N 0.21 0.80 0.22 1.42 -1.24 -1.92 0.16 115.58 115.24 2ipw h ASN 52 Ca 0.04 -0.10 -0.17 0.00 0.71 0.00 0.00 56.30 56.78 2ipw h ASN 52 Cb 0.39 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 2ipw h ASN 52 CO 0.02 0.67 -0.64 -0.33 -1.29 0.00 0.00 177.43 175.87 2ipw h GLU 53 N 0.87 0.40 -0.58 6.67 3.07 -1.74 -2.24 114.58 121.03 2ipw h GLU 53 Ca 0.22 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.68 2ipw h GLU 53 Cb 0.06 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2ipw h GLU 53 CO -0.03 0.91 -0.06 0.28 -1.40 0.00 0.00 179.01 178.70 2ipw h VAL 54 N 0.29 1.27 -0.10 3.13 2.07 -0.99 -2.79 116.25 119.12 2ipw h VAL 54 Ca -0.01 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2ipw h VAL 54 Cb 1.19 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2ipw h VAL 54 CO 0.11 0.44 -0.08 1.23 0.02 0.00 0.00 177.57 179.29 2ipw h GLY 55 N 0.96 0.17 1.09 2.17 0.00 -0.42 -2.37 103.07 104.65 2ipw h GLY 55 Ca 0.16 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2ipw h GLY 55 CO 0.04 0.08 0.17 -2.08 0.00 0.00 0.00 176.54 174.75 2ipw h VAL 56 N 0.15 1.26 -0.46 4.60 2.07 -1.13 -2.04 116.25 120.71 2ipw h VAL 56 Ca 0.03 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.48 2ipw h VAL 56 Cb 0.25 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2ipw h VAL 56 CO 0.01 0.37 -0.12 0.00 0.02 0.00 0.00 177.57 177.86 2ipw h ALA 57 N 1.11 0.63 -0.28 1.67 0.00 -1.40 -2.68 119.26 118.31 2ipw h ALA 57 Ca 0.22 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2ipw h ALA 57 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2ipw h ALA 57 CO 0.00 0.54 0.11 0.82 0.00 0.00 0.00 179.25 180.72 2ipw h ILE 58 N 0.73 1.18 -0.92 0.00 2.04 -1.32 -2.59 117.51 116.62 2ipw h ILE 58 Ca 0.11 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2ipw h ILE 58 Cb 0.67 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2ipw h ILE 58 CO 0.05 0.19 0.53 1.56 0.00 0.00 0.00 178.15 180.47 2ipw h GLN 59 N 0.29 1.27 -0.67 2.37 1.08 -1.37 -1.14 115.11 116.95 2ipw h GLN 59 Ca 0.09 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 2ipw h GLN 59 Cb 0.19 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 2ipw h GLN 59 CO -0.01 0.91 0.26 0.93 -0.95 0.00 0.00 178.83 179.97 2ipw h GLU 60 N 1.28 1.00 -0.11 1.46 5.08 -1.38 -0.24 114.58 121.68 2ipw h GLU 60 Ca 0.33 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 2ipw h GLU 60 Cb -0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2ipw h GLU 60 CO -0.06 0.84 -0.58 0.87 -1.00 0.00 0.00 179.01 179.08 2ipw h LYS 61 N 0.94 0.34 -0.36 2.33 1.79 -1.15 0.56 116.57 121.03 2ipw h LYS 61 Ca 0.22 -0.22 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 2ipw h LYS 61 Cb 0.21 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2ipw h LYS 61 CO -0.02 0.82 -0.35 -0.07 -1.08 0.00 0.00 179.45 178.75 2ipw h LEU 62 N 0.26 0.88 -0.53 2.94 3.38 -1.04 -1.34 115.31 119.86 2ipw h LEU 62 Ca -0.00 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2ipw h LEU 62 Cb 1.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2ipw h LEU 62 CO 0.10 1.14 -0.15 -0.09 0.09 0.00 0.00 178.44 179.52 2ipw h ARG 63 N 0.69 1.03 0.00 1.13 2.43 -0.83 -2.63 114.38 116.21 2ipw h ARG 63 Ca 0.07 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2ipw h ARG 63 Cb 0.92 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2ipw h ARG 63 CO 0.08 1.10 0.00 1.49 -1.51 0.00 0.00 179.97 181.13 2ipw h GLU 64 N 0.90 0.00 -1.37 0.20 4.81 -0.74 -3.47 114.58 114.92 2ipw h GLU 64 Ca 0.13 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.09 2ipw h GLU 64 Cb 0.73 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 2ipw h GLU 64 CO 0.06 0.00 -0.30 1.04 -0.73 0.00 0.00 179.01 179.08 2ipw n GLN 65 N -2.41 -1.00 0.07 1.92 6.02 -0.56 -4.88 117.38 116.54 2ipw n GLN 65 Ca 0.02 0.78 -0.02 0.00 -0.01 0.00 0.00 57.00 57.77 2ipw n GLN 65 Cb 0.29 -4.94 0.24 0.00 1.02 0.00 0.00 30.24 26.85 2ipw n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2ipw h VAL 66 N 0.00 1.27 -3.97 5.09 2.07 -1.68 -3.44 116.25 115.58 2ipw h VAL 66 Ca -0.30 -1.30 -0.10 0.00 0.82 0.00 0.00 66.70 65.82 2ipw h VAL 66 Cb 1.08 1.48 -0.15 0.00 -1.52 0.00 0.00 31.29 32.18 2ipw h VAL 66 CO 0.38 0.40 -0.51 0.68 0.02 0.00 0.00 177.57 178.54 2ipw s VAL 67 N -4.37 0.17 0.17 2.57 -7.23 -1.24 -5.09 120.40 105.37 2ipw s VAL 67 Ca -0.06 -1.41 0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2ipw s VAL 67 Cb 0.14 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2ipw s VAL 67 CO 0.77 -0.78 0.15 -0.54 -0.31 0.00 0.00 175.10 174.39 2ipw s LYS 68 N -3.69 2.93 0.28 4.82 1.02 -1.26 -4.46 119.74 119.38 2ipw s LYS 68 Ca 0.04 -0.86 0.02 0.00 0.02 0.00 0.00 55.97 55.18 2ipw s LYS 68 Cb 0.05 -2.66 0.57 0.00 -0.52 0.00 0.00 37.83 35.27 2ipw s LYS 68 CO -0.10 0.48 1.82 -0.09 -0.92 0.00 0.00 175.35 176.55 2ipw h ARG 69 N 2.35 0.92 0.00 1.68 9.65 -1.95 -1.00 114.38 126.03 2ipw h ARG 69 Ca -0.48 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 2ipw h ARG 69 Cb 1.20 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 2ipw h ARG 69 CO 0.63 0.61 0.00 1.05 2.80 0.00 0.00 179.97 185.06 2ipw h GLU 70 N 0.95 0.00 0.00 0.20 4.11 -2.03 -1.89 114.58 115.92 2ipw h GLU 70 Ca 0.50 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.85 2ipw h GLU 70 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2ipw h GLU 70 CO -0.28 0.00 -0.66 0.93 0.07 0.00 0.00 179.01 179.07 2ipw h GLU 71 N 0.00 0.00 -6.56 1.06 5.08 -1.58 -3.46 114.58 109.12 2ipw h GLU 71 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2ipw h GLU 71 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2ipw h GLU 71 CO 0.00 0.30 0.02 -0.51 -1.00 0.00 0.00 179.01 177.82 2ipw s LEU 72 N -6.14 4.19 -0.33 1.33 1.43 -0.71 -4.84 118.68 113.60 2ipw s LEU 72 Ca 0.03 1.18 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2ipw s LEU 72 Cb 0.08 -3.76 0.10 0.00 0.03 0.00 0.00 46.19 42.64 2ipw s LEU 72 CO 0.75 -0.08 0.08 0.12 0.23 0.00 0.00 176.35 177.46 2ipw s PHE 73 N -1.77 2.72 -0.16 0.29 5.36 0.24 -4.98 117.98 119.68 2ipw s PHE 73 Ca 0.48 -2.40 -0.12 0.00 -0.96 0.00 0.00 56.93 53.93 2ipw s PHE 73 Cb -0.12 -2.32 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2ipw s PHE 73 CO 0.19 -0.90 0.24 0.42 -1.46 0.00 0.00 175.22 173.71 2ipw s ILE 74 N 1.19 5.34 -0.03 3.12 -1.09 -1.26 -2.22 121.20 126.24 2ipw s ILE 74 Ca 0.11 0.43 0.07 0.00 -2.23 0.00 0.00 60.65 59.03 2ipw s ILE 74 Cb -0.19 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2ipw s ILE 74 CO -0.16 0.44 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.07 2ipw s VAL 75 N 0.20 1.85 0.23 2.92 1.01 -0.70 -2.04 120.40 123.87 2ipw s VAL 75 Ca 0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2ipw s VAL 75 Cb -0.13 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2ipw s VAL 75 CO 0.03 0.52 0.26 -0.55 0.00 0.00 0.00 175.10 175.36 2ipw s SER 76 N -0.39 0.19 0.04 3.32 0.15 -0.94 0.80 113.70 116.88 2ipw s SER 76 Ca 0.05 -1.28 0.02 0.00 0.70 0.00 0.00 55.95 55.44 2ipw s SER 76 Cb -0.10 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2ipw s SER 76 CO 0.01 -0.97 -0.08 -0.54 1.20 0.00 0.00 173.24 172.87 2ipw s LYS 77 N -4.02 0.52 -0.28 5.44 1.02 -1.25 -0.80 119.74 120.37 2ipw s LYS 77 Ca 0.34 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.38 2ipw s LYS 77 Cb 0.04 -0.30 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 2ipw s LYS 77 CO 0.12 0.06 0.85 -1.17 -0.92 0.00 0.00 175.35 174.29 2ipw s LEU 78 N -1.44 4.07 0.62 3.17 2.96 0.17 -4.03 118.68 124.20 2ipw s LEU 78 Ca -0.09 0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 54.57 2ipw s LEU 78 Cb -0.09 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 2ipw s LEU 78 CO 0.00 -0.61 1.08 0.86 -1.32 0.00 0.00 176.35 176.36 2ipw s TRP 79 N 3.01 2.84 0.55 5.38 -0.11 -1.26 -2.26 118.94 127.10 2ipw s TRP 79 Ca 0.36 1.53 0.30 0.00 1.22 0.00 0.00 56.10 59.50 2ipw s TRP 79 Cb -0.14 -3.08 1.46 0.00 -1.50 0.00 0.00 33.47 30.21 2ipw s TRP 79 CO 0.10 -1.35 1.90 0.00 -4.62 0.00 0.00 176.95 172.99 2ipw n THR 81 N -4.09 0.06 -1.88 0.00 -2.24 -1.26 -0.74 114.28 104.13 2ipw n THR 81 Ca 0.14 -0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.85 2ipw n THR 81 Cb 0.83 -0.11 0.14 0.00 -2.10 0.00 0.00 70.33 69.09 2ipw n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2ipw n TYR 82 N -0.49 0.37 0.51 4.78 4.02 -0.51 -4.23 117.16 121.62 2ipw n TYR 82 Ca 0.13 -1.41 0.13 0.00 -0.01 0.00 0.00 57.90 56.74 2ipw n TYR 82 Cb 0.12 -0.24 0.40 0.00 -0.02 0.00 0.00 39.34 39.60 2ipw n TYR 82 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ipw h HIS 83 N 1.20 0.00 -4.08 -0.72 3.86 -1.72 -3.32 115.15 110.36 2ipw h HIS 83 Ca -0.01 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.65 2ipw h HIS 83 Cb 1.26 0.00 0.15 0.00 1.06 0.00 0.00 27.41 29.88 2ipw h HIS 83 CO 0.64 0.00 0.56 -1.21 0.86 0.00 0.00 177.93 178.78 2ipw s GLU 84 N -3.18 2.81 0.27 2.45 8.01 -1.26 -4.44 118.70 123.35 2ipw s GLU 84 Ca 0.09 2.15 -0.01 0.00 0.01 0.00 0.00 54.97 57.20 2ipw s GLU 84 Cb 0.11 -2.03 0.47 0.00 -4.31 0.00 0.00 34.13 28.37 2ipw s GLU 84 CO 0.57 -1.42 1.84 0.87 0.01 0.00 0.00 175.26 177.12 2ipw h LYS 85 N 0.95 0.94 0.00 1.61 1.79 -1.89 -2.32 116.57 117.65 2ipw h LYS 85 Ca -0.51 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 57.90 2ipw h LYS 85 Cb 1.32 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2ipw h LYS 85 CO 0.55 0.62 -0.08 0.41 -1.08 0.00 0.00 179.45 179.87 2ipw n GLY 86 N -1.34 -1.47 0.00 3.86 0.00 -1.26 -3.89 105.19 101.10 2ipw n GLY 86 Ca 0.16 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.15 2ipw n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ipw n LEU 87 N -1.53 0.67 0.13 0.99 4.77 -0.89 -4.59 117.00 116.56 2ipw n LEU 87 Ca 0.07 -0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 55.58 2ipw n LEU 87 Cb 0.34 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2ipw n LEU 87 CO 0.28 0.17 0.72 0.58 -1.33 0.00 0.00 177.39 177.81 2ipw h VAL 88 N 0.00 0.84 -0.69 4.08 2.07 -1.63 -1.68 116.25 119.24 2ipw h VAL 88 Ca 0.00 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2ipw h VAL 88 Cb 0.66 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2ipw h VAL 88 CO 0.00 0.06 0.37 0.50 0.02 0.00 0.00 177.57 178.52 2ipw h LYS 89 N -0.43 0.96 -0.75 1.57 3.64 -1.82 -1.63 116.57 118.11 2ipw h LYS 89 Ca -0.03 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2ipw h LYS 89 Cb 0.33 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2ipw h LYS 89 CO 0.05 0.72 0.30 0.78 -2.27 0.00 0.00 179.45 179.02 2ipw h GLY 90 N 1.02 1.20 1.05 5.01 0.00 -1.78 -1.15 103.07 108.42 2ipw h GLY 90 Ca 0.24 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 2ipw h GLY 90 CO -0.04 0.62 -0.24 0.00 0.00 0.00 0.00 176.54 176.88 2ipw h ALA 91 N 1.15 0.57 -0.75 3.60 0.00 -0.83 -2.54 119.26 120.46 2ipw h ALA 91 Ca 0.25 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2ipw h ALA 91 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2ipw h ALA 91 CO -0.02 0.56 0.28 0.00 0.00 0.00 0.00 179.25 180.07 2ipw h GLN 93 N 1.09 0.31 -0.32 0.00 4.20 -1.15 -1.51 115.11 117.72 2ipw h GLN 93 Ca 0.25 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2ipw h GLN 93 Cb 0.23 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2ipw h GLN 93 CO -0.02 0.67 0.10 -0.22 -0.67 0.00 0.00 178.83 178.70 2ipw h LYS 94 N 0.26 0.50 -0.53 1.46 3.11 -1.18 -1.62 116.57 118.56 2ipw h LYS 94 Ca 0.02 -0.11 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 2ipw h LYS 94 Cb 0.84 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.97 2ipw h LYS 94 CO 0.07 0.54 0.26 1.15 -2.81 0.00 0.00 179.45 178.66 2ipw h THR 95 N 0.37 1.20 -0.24 1.00 2.02 -1.34 -1.73 112.91 114.18 2ipw h THR 95 Ca 0.10 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2ipw h THR 95 Cb 0.25 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2ipw h THR 95 CO -0.00 0.22 0.04 -0.07 0.37 0.00 0.00 175.52 176.07 2ipw h LEU 96 N 0.71 0.31 -0.05 2.58 3.38 -1.02 -0.93 115.31 120.29 2ipw h LEU 96 Ca 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2ipw h LEU 96 Cb 0.11 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ipw h LEU 96 CO -0.02 0.34 -0.08 0.28 0.09 0.00 0.00 178.44 179.05 2ipw h SER 97 N 0.34 0.15 -0.59 -0.43 0.02 -0.91 -0.52 113.55 111.61 2ipw h SER 97 Ca 0.08 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 2ipw h SER 97 Cb 0.17 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2ipw h SER 97 CO -0.00 0.66 0.31 0.44 -1.14 0.00 0.00 176.83 177.10 2ipw h ASP 98 N -0.36 0.75 1.27 3.07 3.45 -1.10 -2.39 116.42 121.10 2ipw h ASP 98 Ca 0.00 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.36 2ipw h ASP 98 Cb 0.63 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 2ipw h ASP 98 CO 0.02 0.65 0.00 -0.07 -1.57 0.00 0.00 179.24 178.26 2ipw h LEU 99 N 0.80 0.00 -1.53 1.55 3.38 -1.21 -3.32 115.31 114.98 2ipw h LEU 99 Ca 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.87 2ipw h LEU 99 Cb 0.07 0.00 0.15 0.00 0.09 0.00 0.00 40.66 40.97 2ipw h LEU 99 CO -0.03 0.00 -0.67 0.29 0.09 0.00 0.00 178.44 178.12 2ipw n LYS 100 N -2.36 -6.14 -4.35 1.13 5.02 -0.33 -4.46 118.16 106.67 2ipw n LYS 100 Ca 0.04 0.75 -0.18 0.00 -2.02 0.00 0.00 58.31 56.90 2ipw n LYS 100 Cb 0.37 -5.50 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 2ipw n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ipw s LEU 101 N -6.02 2.39 0.00 -0.35 1.43 -0.47 -4.96 118.68 110.71 2ipw s LEU 101 Ca 0.10 -1.15 0.16 0.00 -1.03 0.00 0.00 54.13 52.21 2ipw s LEU 101 Cb -0.05 -0.46 -0.14 0.00 0.03 0.00 0.00 46.19 45.57 2ipw s LEU 101 CO 0.65 -0.38 0.71 -0.90 0.23 0.00 0.00 176.35 176.66 2ipw n ASP 102 N -0.44 0.90 -3.59 2.29 3.85 -1.26 -4.55 116.55 113.76 2ipw n ASP 102 Ca -0.06 -0.95 -0.15 0.00 -0.71 0.00 0.00 54.79 52.92 2ipw n ASP 102 Cb 0.63 0.91 -0.06 0.00 -1.35 0.00 0.00 41.12 41.25 2ipw n ASP 102 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 2ipw s TYR 103 N -2.40 -0.44 0.07 2.11 1.13 -1.26 -4.72 117.35 111.85 2ipw s TYR 103 Ca 0.07 0.57 0.05 0.00 -1.41 0.00 0.00 57.07 56.35 2ipw s TYR 103 Cb 0.12 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 2ipw s TYR 103 CO 0.61 -0.61 -0.02 -0.51 -2.51 0.00 0.00 175.55 172.51 2ipw s LEU 104 N -1.75 3.40 0.11 -3.49 1.43 -0.26 -4.98 118.68 113.14 2ipw s LEU 104 Ca -0.07 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2ipw s LEU 104 Cb -0.01 -2.10 -0.19 0.00 0.03 0.00 0.00 46.19 43.92 2ipw s LEU 104 CO 0.01 0.20 1.23 0.44 0.23 0.00 0.00 176.35 178.46 2ipw h ASP 105 N 3.67 0.33 -3.33 2.29 5.19 -1.75 0.13 116.42 122.94 2ipw h ASP 105 Ca -0.48 -0.32 -0.15 0.00 -0.62 0.00 0.00 57.03 55.45 2ipw h ASP 105 Cb 1.17 -0.10 -0.28 0.00 0.18 0.00 0.00 39.33 40.29 2ipw h ASP 105 CO 0.58 1.21 -0.39 -0.22 -3.12 0.00 0.00 179.24 177.30 2ipw s LEU 106 N -7.19 0.20 -0.14 1.55 2.96 -1.08 -2.24 118.68 112.73 2ipw s LEU 106 Ca -0.03 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 2ipw s LEU 106 Cb 0.08 1.05 0.02 0.00 0.50 0.00 0.00 46.19 47.85 2ipw s LEU 106 CO 0.86 -0.18 -0.16 -0.47 -1.32 0.00 0.00 176.35 175.08 2ipw s TYR 107 N 1.25 2.28 0.05 5.38 5.04 -0.47 -2.20 117.35 128.67 2ipw s TYR 107 Ca -0.09 -1.24 0.04 0.00 -2.44 0.00 0.00 57.07 53.34 2ipw s TYR 107 Cb -0.09 -1.64 -0.04 0.00 0.35 0.00 0.00 41.96 40.55 2ipw s TYR 107 CO -0.10 -0.65 -0.02 -0.51 -1.34 0.00 0.00 175.55 172.93 2ipw s LEU 108 N 1.28 3.37 -0.52 6.97 1.43 0.02 -0.73 118.68 130.50 2ipw s LEU 108 Ca 0.01 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.70 2ipw s LEU 108 Cb -0.14 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.08 2ipw s LEU 108 CO -0.08 0.23 1.07 -0.63 0.23 0.00 0.00 176.35 177.16 2ipw s ILE 109 N -1.17 4.24 0.19 -0.59 1.01 -0.59 0.43 121.20 124.71 2ipw s ILE 109 Ca 0.22 0.84 -0.18 0.00 0.00 0.00 0.00 60.65 61.53 2ipw s ILE 109 Cb -0.11 -4.59 0.15 0.00 0.01 0.00 0.00 42.46 37.92 2ipw s ILE 109 CO 0.13 -1.09 1.62 -0.74 0.00 0.00 0.00 174.94 174.86 2ipw h HIS 110 N 9.30 -0.57 -3.72 3.97 2.76 -1.74 -1.56 115.15 123.59 2ipw h HIS 110 Ca -0.24 0.06 -0.16 0.00 -2.20 0.00 0.00 60.37 57.82 2ipw h HIS 110 Cb 1.07 0.33 -0.21 0.00 1.55 0.00 0.00 27.41 30.14 2ipw h HIS 110 CO 0.96 -0.31 -0.60 -1.58 -1.30 0.00 0.00 177.93 175.10 2ipw s TRP 111 N -6.13 0.13 -0.27 5.26 0.52 -1.25 -4.37 118.94 112.82 2ipw s TRP 111 Ca -0.14 -0.27 0.27 0.00 0.02 0.00 0.00 56.10 55.98 2ipw s TRP 111 Cb 0.16 -0.10 1.13 0.00 -1.15 0.00 0.00 33.47 33.51 2ipw s TRP 111 CO 0.71 -0.22 1.81 -1.00 0.02 0.00 0.00 176.95 178.28 2ipw h PRO 112 N 4.63 0.00 -6.01 4.98 0.13 -1.81 -3.44 132.00 130.48 2ipw h PRO 112 Ca -0.31 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.25 2ipw h PRO 112 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2ipw h PRO 112 CO 0.41 0.00 0.47 0.95 -0.23 0.00 0.00 178.00 179.61 2ipw s THR 113 N -3.45 4.84 -0.06 1.56 -4.23 -1.26 -4.75 115.64 108.29 2ipw s THR 113 Ca 0.03 1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 62.15 2ipw s THR 113 Cb 0.09 -4.19 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 2ipw s THR 113 CO 0.45 -0.00 0.38 -0.83 -0.54 0.00 0.00 174.62 174.07 2ipw s GLY 114 N 1.16 2.39 0.35 3.99 0.00 -1.26 -4.59 107.32 109.35 2ipw s GLY 114 Ca 0.41 -0.29 0.08 0.00 0.00 0.00 0.00 44.72 44.91 2ipw s GLY 114 CO 0.12 0.29 0.25 -1.36 0.00 0.00 0.00 173.10 172.40 2ipw s PHE 115 N -0.43 2.79 0.11 1.90 0.08 0.08 -1.83 117.98 120.67 2ipw s PHE 115 Ca 0.22 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.59 2ipw s PHE 115 Cb -0.15 -1.81 -0.10 0.00 -0.57 0.00 0.00 43.02 40.39 2ipw s PHE 115 CO 0.10 0.19 1.76 0.21 -0.10 0.00 0.00 175.22 177.38 2ipw s LYS 116 N -3.96 4.16 0.28 0.44 2.20 -0.18 -4.24 119.74 118.44 2ipw s LYS 116 Ca 0.41 2.50 -0.30 0.00 -0.36 0.00 0.00 55.97 58.21 2ipw s LYS 116 Cb -0.04 -3.57 -0.12 0.00 -1.51 0.00 0.00 37.83 32.59 2ipw s LYS 116 CO 0.25 -0.80 1.62 -0.35 -0.36 0.00 0.00 175.35 175.71 2ipw n PRO 117 N 5.56 2.72 -3.34 4.03 -0.04 -1.26 -4.79 135.00 137.88 2ipw n PRO 117 Ca 0.17 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.60 2ipw n PRO 117 Cb 0.39 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 2ipw n PRO 117 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ipw n GLY 118 N 2.38 -0.61 0.10 0.55 0.00 -1.26 -5.01 105.19 101.34 2ipw n GLY 118 Ca 0.09 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 2ipw n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ipw h LYS 119 N 0.00 0.22 -6.63 1.61 6.56 -1.98 -3.46 116.57 112.88 2ipw h LYS 119 Ca 0.00 -0.37 -0.52 0.00 -1.06 0.00 0.00 60.65 58.69 2ipw h LYS 119 Cb 0.00 0.14 0.02 0.00 -0.57 0.00 0.00 32.23 31.82 2ipw h LYS 119 CO 0.00 1.11 0.61 -1.21 -2.06 0.00 0.00 179.45 177.90 2ipw s GLU 120 N -2.64 4.43 0.22 3.15 0.41 -1.26 -4.92 118.70 118.09 2ipw s GLU 120 Ca -0.06 1.95 0.05 0.00 -0.41 0.00 0.00 54.97 56.50 2ipw s GLU 120 Cb 0.07 -3.24 0.20 0.00 -1.78 0.00 0.00 34.13 29.38 2ipw s GLU 120 CO 0.86 -0.20 1.52 0.74 -0.49 0.00 0.00 175.26 177.69 2ipw h PHE 121 N 5.64 0.27 -2.76 1.61 0.04 -1.97 -3.35 116.94 116.42 2ipw h PHE 121 Ca -0.44 -0.11 -0.61 0.00 2.80 0.00 0.00 57.97 59.61 2ipw h PHE 121 Cb 1.21 -0.04 -0.41 0.00 2.20 0.00 0.00 35.95 38.91 2ipw h PHE 121 CO 0.63 0.81 -0.69 1.19 -0.60 0.00 0.00 178.31 179.65 2ipw n PHE 122 N -3.81 2.23 -1.73 -0.55 3.72 -1.26 -4.69 117.46 111.36 2ipw n PHE 122 Ca -0.02 -4.04 -0.42 0.00 -0.05 0.00 0.00 57.45 52.91 2ipw n PHE 122 Cb 0.66 -0.41 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 2ipw n PHE 122 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ipw n PRO 123 N 1.97 2.43 -4.37 -1.08 -0.04 -1.26 -4.85 135.00 127.81 2ipw n PRO 123 Ca 0.24 0.86 -0.19 0.00 -0.04 0.00 0.00 63.50 64.36 2ipw n PRO 123 Cb 0.39 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.21 2ipw n PRO 123 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ipw s LEU 124 N -1.08 2.43 -0.16 1.53 1.43 -1.26 -1.22 118.68 120.35 2ipw s LEU 124 Ca 0.58 -1.14 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 2ipw s LEU 124 Cb -0.53 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2ipw s LEU 124 CO 0.58 -0.35 -0.27 -0.90 0.23 0.00 0.00 176.35 175.64 2ipw n ASP 125 N -0.46 1.84 -4.58 2.29 3.85 -1.26 -4.80 116.55 113.43 2ipw n ASP 125 Ca -0.06 0.46 -0.39 0.00 -0.71 0.00 0.00 54.79 54.09 2ipw n ASP 125 Cb 0.63 -0.79 -0.10 0.00 -1.35 0.00 0.00 41.12 39.50 2ipw n ASP 125 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 2ipw s ASN 129 N -5.79 6.15 0.02 -1.12 3.84 -1.26 -5.16 114.94 111.62 2ipw s ASN 129 Ca -0.22 -0.00 0.00 0.00 0.21 0.00 0.00 52.86 52.85 2ipw s ASN 129 Cb 0.03 -2.17 0.00 0.00 -0.55 0.00 0.00 41.25 38.56 2ipw s ASN 129 CO 0.33 -0.19 0.00 0.52 -2.79 0.00 0.00 177.10 174.97 2ipw n VAL 130 N 5.13 -8.20 -2.96 -5.21 0.31 -1.19 -4.79 118.33 101.42 2ipw n VAL 130 Ca -0.11 1.73 -0.41 0.00 -0.01 0.00 0.00 64.34 65.54 2ipw n VAL 130 Cb 0.51 -4.60 -0.05 0.00 -0.91 0.00 0.00 33.84 28.79 2ipw n VAL 130 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2ipw s VAL 131 N -0.32 4.91 0.63 2.52 1.01 -0.36 -4.94 120.40 123.85 2ipw s VAL 131 Ca 0.00 1.46 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 2ipw s VAL 131 Cb 0.00 -4.07 0.04 0.00 0.00 0.00 0.00 36.38 32.35 2ipw s VAL 131 CO 0.00 0.01 0.91 -2.16 0.00 0.00 0.00 175.10 173.87 2ipw s PRO 132 N 2.37 2.47 0.16 2.72 0.04 -1.26 -1.01 135.00 140.48 2ipw s PRO 132 Ca 0.34 -0.35 0.05 0.00 0.04 0.00 0.00 61.00 61.07 2ipw s PRO 132 Cb -0.16 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2ipw s PRO 132 CO 0.10 -0.95 0.15 0.45 0.04 0.00 0.00 177.00 176.79 2ipw s SER 133 N -4.44 5.59 0.00 6.66 0.15 -0.76 -3.96 113.70 116.94 2ipw s SER 133 Ca 0.58 -0.10 0.19 0.00 0.70 0.00 0.00 55.95 57.31 2ipw s SER 133 Cb -0.11 -1.48 0.77 0.00 -1.71 0.00 0.00 66.02 63.49 2ipw s SER 133 CO 0.43 0.07 1.54 -0.90 1.20 0.00 0.00 173.24 175.58 2ipw n ASP 134 N -0.38 1.21 -4.79 5.45 5.68 -1.26 -4.83 116.55 117.63 2ipw n ASP 134 Ca -0.08 -1.67 -0.32 0.00 -0.50 0.00 0.00 54.79 52.22 2ipw n ASP 134 Cb 0.55 -0.09 0.04 0.00 -1.14 0.00 0.00 41.12 40.48 2ipw n ASP 134 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2ipw s THR 135 N -1.83 3.61 0.39 2.12 -4.23 -1.26 -5.07 115.64 109.37 2ipw s THR 135 Ca 0.29 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.53 2ipw s THR 135 Cb 0.15 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.69 2ipw s THR 135 CO 0.23 -0.55 0.02 0.54 -0.54 0.00 0.00 174.62 174.32 2ipw s ASN 136 N -3.05 3.58 0.37 3.99 4.22 -1.26 -4.82 114.94 117.97 2ipw s ASN 136 Ca 0.63 -1.37 0.04 0.00 -2.14 0.00 0.00 52.86 50.02 2ipw s ASN 136 Cb -0.17 -0.34 0.71 0.00 1.28 0.00 0.00 41.25 42.73 2ipw s ASN 136 CO 0.45 -0.48 2.01 0.40 -2.04 0.00 0.00 177.10 177.45 2ipw h ILE 137 N 1.84 1.15 -0.15 0.54 2.04 -1.98 -2.94 117.51 118.00 2ipw h ILE 137 Ca -0.43 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 64.94 2ipw h ILE 137 Cb 1.24 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2ipw h ILE 137 CO 0.79 0.15 -0.61 -0.07 0.00 0.00 0.00 178.15 178.41 2ipw h LEU 138 N 0.71 0.60 -0.49 1.44 3.38 -1.97 -1.72 115.31 117.26 2ipw h LEU 138 Ca 0.19 -0.34 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 2ipw h LEU 138 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2ipw h LEU 138 CO -0.04 1.06 -0.39 0.44 0.09 0.00 0.00 178.44 179.60 2ipw h ASP 139 N 0.39 0.86 0.01 -0.43 3.45 -1.94 -2.37 116.42 116.38 2ipw h ASP 139 Ca -0.01 -0.39 -0.13 0.00 0.43 0.00 0.00 57.03 56.93 2ipw h ASP 139 Cb 1.16 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.68 2ipw h ASP 139 CO 0.11 1.15 -0.42 0.74 -1.57 0.00 0.00 179.24 179.25 2ipw h THR 140 N 0.66 1.30 -0.54 0.35 2.02 -1.48 -2.90 112.91 112.31 2ipw h THR 140 Ca 0.05 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 65.57 2ipw h THR 140 Cb 0.96 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2ipw h THR 140 CO 0.09 0.49 0.04 -0.25 0.37 0.00 0.00 175.52 176.26 2ipw h TRP 141 N 0.42 1.01 -0.29 3.16 2.91 -1.18 -1.92 115.95 120.07 2ipw h TRP 141 Ca 0.03 -0.16 -0.00 0.00 1.13 0.00 0.00 58.89 59.89 2ipw h TRP 141 Cb 0.91 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 2ipw h TRP 141 CO 0.03 0.91 0.17 0.00 -1.03 0.00 0.00 178.44 178.52 2ipw h ALA 142 N 0.97 1.76 -0.07 2.65 0.00 -1.33 -0.37 119.26 122.87 2ipw h ALA 142 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2ipw h ALA 142 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ipw h ALA 142 CO 0.02 0.21 -0.69 0.00 0.00 0.00 0.00 179.25 178.79 2ipw h ALA 143 N 1.79 0.69 -0.30 0.00 0.00 -1.25 -3.03 119.26 117.17 2ipw h ALA 143 Ca 0.10 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2ipw h ALA 143 Cb -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ipw h ALA 143 CO -0.02 0.77 -0.37 0.52 0.00 0.00 0.00 179.25 180.15 2ipw h MET 144 N 0.21 0.70 0.00 0.00 2.07 -0.52 -2.98 114.93 114.41 2ipw h MET 144 Ca -0.02 -0.35 -0.04 0.00 -2.07 0.00 0.00 59.70 57.22 2ipw h MET 144 Cb 1.25 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.97 2ipw h MET 144 CO 0.11 0.95 -0.19 0.93 1.07 0.00 0.00 176.91 179.79 2ipw h GLU 145 N 0.58 0.00 0.00 1.72 5.08 -1.02 -2.34 114.58 118.59 2ipw h GLU 145 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2ipw h GLU 145 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2ipw h GLU 145 CO 0.08 0.19 -0.46 0.93 -1.00 0.00 0.00 179.01 178.75 2ipw h GLU 146 N 0.00 0.00 0.00 2.33 5.08 -1.41 -2.71 114.58 117.87 2ipw h GLU 146 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2ipw h GLU 146 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2ipw h GLU 146 CO 0.02 0.46 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.13 2ipw h LEU 147 N 0.00 0.00 0.00 1.33 4.07 -1.43 -1.35 115.31 117.93 2ipw h LEU 147 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.79 2ipw h LEU 147 Cb 0.86 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.62 2ipw h LEU 147 CO 0.06 0.30 -0.65 0.58 -1.08 0.00 0.00 178.44 177.65 2ipw h VAL 148 N 0.00 1.42 0.00 1.22 2.07 -1.52 -0.82 116.25 118.62 2ipw h VAL 148 Ca -0.00 -2.11 -0.04 0.00 0.82 0.00 0.00 66.70 65.37 2ipw h VAL 148 Cb 0.53 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2ipw h VAL 148 CO 0.04 0.62 -0.19 0.44 0.02 0.00 0.00 177.57 178.49 2ipw h ASP 149 N -0.07 0.00 0.06 0.57 3.32 -1.27 -2.38 116.42 116.65 2ipw h ASP 149 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2ipw h ASP 149 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2ipw h ASP 149 CO 0.13 0.19 -0.12 -0.62 -1.72 0.00 0.00 179.24 177.09 2ipw n GLU 150 N -3.94 1.46 -1.04 3.56 1.02 -0.53 -4.96 120.64 116.21 2ipw n GLU 150 Ca -0.02 -0.96 -0.01 0.00 -0.02 0.00 0.00 57.16 56.15 2ipw n GLU 150 Cb 0.28 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.21 2ipw n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ipw n GLY 151 N 1.27 0.51 0.08 0.62 0.00 -0.90 -4.95 105.19 101.83 2ipw n GLY 151 Ca 0.15 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 2ipw n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ipw h LEU 152 N 0.00 0.23 -8.07 0.99 3.38 -1.40 -3.44 115.31 106.99 2ipw h LEU 152 Ca -0.03 -0.24 -0.33 0.00 0.09 0.00 0.00 57.88 57.37 2ipw h LEU 152 Cb 0.11 -0.07 -0.25 0.00 0.09 0.00 0.00 40.66 40.54 2ipw h LEU 152 CO 0.04 1.19 -0.75 0.68 0.09 0.00 0.00 178.44 179.69 2ipw s VAL 153 N -2.68 0.58 0.11 1.22 -7.23 -1.16 -1.10 120.40 110.14 2ipw s VAL 153 Ca -0.02 -0.67 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 2ipw s VAL 153 Cb 0.08 -0.56 -0.23 0.00 0.56 0.00 0.00 36.38 36.23 2ipw s VAL 153 CO 0.85 -0.08 1.24 0.11 -0.31 0.00 0.00 175.10 176.91 2ipw h LYS 154 N 5.28 0.11 -3.23 4.82 1.79 -0.86 -3.38 116.57 121.10 2ipw h LYS 154 Ca -0.32 -0.18 -0.09 0.00 -2.18 0.00 0.00 60.65 57.87 2ipw h LYS 154 Cb 1.19 0.07 -0.17 0.00 -1.58 0.00 0.00 32.23 31.74 2ipw h LYS 154 CO 0.46 1.07 -0.22 0.00 -1.08 0.00 0.00 179.45 179.68 2ipw s ALA 155 N -2.73 -0.76 0.16 3.86 0.00 -0.95 -5.01 121.76 116.34 2ipw s ALA 155 Ca -0.01 0.09 0.10 0.00 0.00 0.00 0.00 51.96 52.14 2ipw s ALA 155 Cb 0.09 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 2ipw s ALA 155 CO 0.84 -0.41 -0.23 0.96 0.00 0.00 0.00 175.76 176.92 2ipw s ILE 156 N -2.46 2.16 0.00 0.00 -4.36 -1.26 -1.37 121.20 113.90 2ipw s ILE 156 Ca -0.06 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 2ipw s ILE 156 Cb -0.01 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.72 2ipw s ILE 156 CO -0.03 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.68 2ipw n GLY 157 N 0.55 2.81 3.35 6.27 0.00 0.09 -1.17 105.19 117.08 2ipw n GLY 157 Ca -0.15 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 2ipw n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ipw s ILE 158 N -2.60 1.03 -0.15 -0.61 -4.36 -0.12 -1.55 121.20 112.85 2ipw s ILE 158 Ca 0.00 -2.03 -0.09 0.00 -0.26 0.00 0.00 60.65 58.27 2ipw s ILE 158 Cb 0.00 -2.43 0.05 0.00 1.25 0.00 0.00 42.46 41.34 2ipw s ILE 158 CO 0.00 -0.26 0.36 -0.55 0.24 0.00 0.00 174.94 174.73 2ipw s SER 159 N -3.33 -0.43 -1.10 4.36 0.15 -0.59 -1.59 113.70 111.17 2ipw s SER 159 Ca 0.30 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.70 2ipw s SER 159 Cb 0.06 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2ipw s SER 159 CO 0.10 -0.18 0.22 0.59 1.20 0.00 0.00 173.24 175.17 2ipw n ASN 160 N 4.04 -4.44 -4.74 5.45 4.13 -0.34 -3.94 115.26 115.42 2ipw n ASN 160 Ca -0.22 -0.11 -0.36 0.00 1.68 0.00 0.00 54.58 55.57 2ipw n ASN 160 Cb 0.55 -3.45 -0.07 0.00 -1.54 0.00 0.00 39.78 35.27 2ipw n ASN 160 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2ipw s PHE 161 N -2.84 3.46 0.76 3.10 2.99 -1.26 -4.57 117.98 119.62 2ipw s PHE 161 Ca 0.11 0.52 -0.12 0.00 0.00 0.00 0.00 56.93 57.44 2ipw s PHE 161 Cb -0.05 -2.25 0.05 0.00 0.00 0.00 0.00 43.02 40.77 2ipw s PHE 161 CO 0.13 0.30 1.13 0.54 -0.00 0.00 0.00 175.22 177.33 2ipw s ASN 162 N 0.28 4.96 0.52 1.36 6.03 -1.26 -4.79 114.94 122.03 2ipw s ASN 162 Ca 0.14 0.98 0.22 0.00 -1.03 0.00 0.00 52.86 53.17 2ipw s ASN 162 Cb -0.12 -1.64 1.33 0.00 -3.03 0.00 0.00 41.25 37.78 2ipw s ASN 162 CO 0.02 -1.64 2.03 1.12 -2.03 0.00 0.00 177.10 176.61 2ipw h HIS 163 N -0.86 0.04 -0.05 1.54 2.07 -1.40 -0.56 115.15 115.92 2ipw h HIS 163 Ca -0.46 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.90 2ipw h HIS 163 Cb 1.29 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 2ipw h HIS 163 CO 0.41 0.02 -0.69 -0.07 -3.07 0.00 0.00 177.93 174.53 2ipw h LEU 164 N 0.04 0.30 -0.27 6.12 3.38 -1.92 -0.19 115.31 122.76 2ipw h LEU 164 Ca 0.19 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 2ipw h LEU 164 Cb 0.71 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2ipw h LEU 164 CO -0.01 0.90 -0.89 1.56 0.09 0.00 0.00 178.44 180.09 2ipw h GLN 165 N 0.18 0.23 -0.31 1.13 4.20 -1.58 -1.55 115.11 117.41 2ipw h GLN 165 Ca -0.02 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.33 2ipw h GLN 165 Cb 1.24 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 2ipw h GLN 165 CO 0.11 0.98 -0.24 0.28 -0.67 0.00 0.00 178.83 179.29 2ipw h VAL 166 N 0.13 1.30 -0.90 -0.54 2.07 -1.04 -2.96 116.25 114.31 2ipw h VAL 166 Ca -0.05 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2ipw h VAL 166 Cb 1.51 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 2ipw h VAL 166 CO 0.14 0.45 0.58 -0.33 0.02 0.00 0.00 177.57 178.43 2ipw h GLU 167 N 0.46 1.20 -0.87 1.57 4.39 -0.97 -1.72 114.58 118.65 2ipw h GLU 167 Ca 0.06 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2ipw h GLU 167 Cb 0.79 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 2ipw h GLU 167 CO 0.06 0.81 0.55 1.98 -1.16 0.00 0.00 179.01 181.25 2ipw h MET 168 N 1.23 1.15 -0.13 2.33 4.05 -1.12 -0.72 114.93 121.72 2ipw h MET 168 Ca 0.33 -0.08 -0.22 0.00 -0.28 0.00 0.00 59.70 59.45 2ipw h MET 168 Cb -0.11 -0.25 0.01 0.00 -0.80 0.00 0.00 31.60 30.44 2ipw h MET 168 CO -0.07 0.78 -0.78 0.82 0.23 0.00 0.00 176.91 177.89 2ipw h ILE 169 N 1.18 1.28 0.00 1.77 2.04 -1.29 -2.99 117.51 119.50 2ipw h ILE 169 Ca 0.31 -1.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.14 2ipw h ILE 169 Cb -0.11 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2ipw h ILE 169 CO -0.06 0.63 -0.23 -0.07 0.00 0.00 0.00 178.15 178.41 2ipw h LEU 170 N 0.49 0.00 -3.08 1.44 3.38 -0.90 -2.32 115.31 114.32 2ipw h LEU 170 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2ipw h LEU 170 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2ipw h LEU 170 CO 0.16 0.23 0.00 0.59 0.09 0.00 0.00 178.44 179.51 2ipw n ASN 171 N -4.11 4.71 -4.71 -0.43 3.02 -0.31 -4.97 115.26 108.45 2ipw n ASN 171 Ca -0.02 -2.38 -0.42 0.00 -0.03 0.00 0.00 54.58 51.73 2ipw n ASN 171 Cb 0.29 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 2ipw n ASN 171 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ipw s LYS 172 N -1.72 4.28 -0.06 3.52 2.20 -0.87 -4.94 119.74 122.14 2ipw s LYS 172 Ca 0.52 2.17 -0.30 0.00 -0.36 0.00 0.00 55.97 58.00 2ipw s LYS 172 Cb 0.32 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 33.30 2ipw s LYS 172 CO 0.27 -0.53 1.70 -1.25 -0.36 0.00 0.00 175.35 175.18 2ipw s PRO 173 N 1.37 4.13 0.00 4.03 0.04 -1.26 -2.04 135.00 141.27 2ipw s PRO 173 Ca 0.67 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.91 2ipw s PRO 173 Cb -0.39 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2ipw s PRO 173 CO 0.30 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2ipw n GLY 174 N 4.24 0.60 3.66 0.56 0.00 -1.26 -4.98 105.19 108.02 2ipw n GLY 174 Ca 0.18 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2ipw n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ipw n LEU 175 N 0.00 4.18 -0.12 0.99 0.00 -0.86 -4.88 117.00 116.30 2ipw n LEU 175 Ca 0.00 0.91 -0.26 0.00 0.00 0.00 0.00 56.01 56.66 2ipw n LEU 175 Cb 0.23 -1.53 -0.11 0.00 0.00 0.00 0.00 43.42 42.01 2ipw n LEU 175 CO 0.00 0.21 -1.19 1.17 0.00 0.00 0.00 177.39 177.57 2ipw n LYS 176 N 7.31 0.60 -4.40 1.96 4.81 -1.26 -4.94 118.16 122.25 2ipw n LYS 176 Ca 0.20 0.32 -0.32 0.00 -0.87 0.00 0.00 58.31 57.63 2ipw n LYS 176 Cb 0.41 -1.57 -0.16 0.00 0.02 0.00 0.00 35.03 33.73 2ipw n LYS 176 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2ipw s TYR 177 N -2.48 2.66 0.42 5.64 1.51 -1.26 -5.12 117.35 118.72 2ipw s TYR 177 Ca -0.35 -1.45 -0.23 0.00 -1.01 0.00 0.00 57.07 54.03 2ipw s TYR 177 Cb 0.12 -1.83 -0.09 0.00 -0.11 0.00 0.00 41.96 40.05 2ipw s TYR 177 CO 0.54 -0.69 1.05 0.15 -1.11 0.00 0.00 175.55 175.49 2ipw s LYS 178 N 1.06 4.05 0.09 -0.62 1.02 -1.26 -4.97 119.74 119.11 2ipw s LYS 178 Ca -0.01 1.47 -0.31 0.00 0.02 0.00 0.00 55.97 57.14 2ipw s LYS 178 Cb -0.14 -2.41 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 2ipw s LYS 178 CO -0.07 -0.23 1.73 -2.14 -0.92 0.00 0.00 175.35 173.72 2ipw s PRO 179 N -2.71 4.17 0.13 -1.68 0.02 -1.26 -4.80 135.00 128.87 2ipw s PRO 179 Ca 0.61 2.44 0.04 0.00 0.02 0.00 0.00 61.00 64.10 2ipw s PRO 179 Cb -0.20 -3.62 -0.16 0.00 0.02 0.00 0.00 34.50 30.54 2ipw s PRO 179 CO 0.25 -0.78 1.28 0.00 -0.33 0.00 0.00 177.00 177.43 2ipw h ALA 180 N 8.51 0.36 -2.69 -1.55 0.00 -1.50 -3.43 119.26 118.95 2ipw h ALA 180 Ca -0.44 -0.85 -0.14 0.00 0.00 0.00 0.00 54.91 53.48 2ipw h ALA 180 Cb 1.21 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.69 2ipw h ALA 180 CO 0.94 1.10 -0.42 0.08 0.00 0.00 0.00 179.25 180.95 2ipw s VAL 181 N -2.83 0.07 -0.26 0.00 1.01 -1.26 -1.93 120.40 115.21 2ipw s VAL 181 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2ipw s VAL 181 Cb 0.10 -0.49 0.07 0.00 0.00 0.00 0.00 36.38 36.06 2ipw s VAL 181 CO 0.83 -0.33 0.00 0.21 0.00 0.00 0.00 175.10 175.82 2ipw s ASN 182 N -1.31 3.85 -0.18 3.32 3.04 -0.54 -0.94 114.94 122.17 2ipw s ASN 182 Ca -0.14 -1.32 -0.20 0.00 0.04 0.00 0.00 52.86 51.24 2ipw s ASN 182 Cb -0.07 -1.08 -0.03 0.00 -1.54 0.00 0.00 41.25 38.54 2ipw s ASN 182 CO 0.02 -0.30 0.58 -1.58 -3.04 0.00 0.00 177.10 172.79 2ipw s GLN 183 N 1.45 4.23 0.15 0.43 0.74 -0.62 -2.73 119.66 123.31 2ipw s GLN 183 Ca -0.00 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 55.96 2ipw s GLN 183 Cb -0.18 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 2ipw s GLN 183 CO -0.10 -0.16 0.05 0.96 -0.55 0.00 0.00 175.29 175.49 2ipw s ILE 184 N 1.65 0.22 0.04 -2.34 -4.36 -0.30 -1.20 121.20 114.91 2ipw s ILE 184 Ca 0.27 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.43 2ipw s ILE 184 Cb -0.16 -2.12 -0.05 0.00 1.25 0.00 0.00 42.46 41.39 2ipw s ILE 184 CO 0.11 -0.41 1.14 -0.70 0.24 0.00 0.00 174.94 175.31 2ipw s GLU 185 N -4.03 4.46 -0.24 0.37 2.12 -1.26 -0.83 118.70 119.29 2ipw s GLU 185 Ca 0.26 1.67 -0.13 0.00 0.36 0.00 0.00 54.97 57.13 2ipw s GLU 185 Cb 0.07 -3.39 0.07 0.00 0.26 0.00 0.00 34.13 31.15 2ipw s GLU 185 CO 0.03 -0.22 0.59 0.00 -0.54 0.00 0.00 175.26 175.13 2ipw s HIS 187 N 1.60 0.07 0.63 0.00 -3.43 -1.11 -4.17 115.29 108.87 2ipw s HIS 187 Ca -0.10 -0.44 0.32 0.00 -0.80 0.00 0.00 55.06 54.05 2ipw s HIS 187 Cb -0.06 0.69 1.75 0.00 -1.43 0.00 0.00 32.58 33.52 2ipw s HIS 187 CO -0.17 -0.85 2.05 -1.35 -2.00 0.00 0.00 174.74 172.42 2ipw h PRO 188 N 2.00 0.00 -0.00 -0.38 0.11 -1.86 -1.88 132.00 129.99 2ipw h PRO 188 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2ipw h PRO 188 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2ipw h PRO 188 CO 0.35 0.00 -0.45 0.66 -0.21 0.00 0.00 178.00 178.36 2ipw n TYR 189 N -3.35 0.00 -3.06 0.65 4.01 -1.26 -2.17 117.16 111.98 2ipw n TYR 189 Ca 0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 2ipw n TYR 189 Cb 0.35 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 2ipw n TYR 189 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2ipw n LEU 190 N -1.03 -1.72 0.22 7.72 7.94 -0.72 -0.95 117.00 128.46 2ipw n LEU 190 Ca 0.08 -3.79 0.05 0.00 -1.11 0.00 0.00 56.01 51.24 2ipw n LEU 190 Cb 0.35 0.68 0.51 0.00 0.53 0.00 0.00 43.42 45.48 2ipw n LEU 190 CO 0.32 1.94 0.92 0.71 -1.11 0.00 0.00 177.39 180.17 2ipw h THR 191 N 4.10 1.12 -5.29 1.96 1.35 -1.73 -2.94 112.91 111.47 2ipw h THR 191 Ca 0.11 -0.56 -0.41 0.00 -0.55 0.00 0.00 66.41 64.99 2ipw h THR 191 Cb 0.99 1.28 0.03 0.00 -1.73 0.00 0.00 68.15 68.72 2ipw h THR 191 CO 0.26 0.16 -0.64 0.00 -0.25 0.00 0.00 175.52 175.05 2ipw n GLN 192 N -4.35 -5.43 -0.37 4.72 1.13 -1.26 -4.83 117.38 106.99 2ipw n GLN 192 Ca -0.02 0.76 0.05 0.00 -1.94 0.00 0.00 57.00 55.84 2ipw n GLN 192 Cb 0.23 -5.64 0.21 0.00 0.11 0.00 0.00 30.24 25.14 2ipw n GLN 192 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2ipw h GLU 193 N -1.74 1.06 -0.11 -1.09 5.08 -1.99 -1.57 114.58 114.22 2ipw h GLU 193 Ca -0.53 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 57.63 2ipw h GLU 193 Cb 1.36 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.37 2ipw h GLU 193 CO 0.58 0.70 -0.46 0.87 -1.00 0.00 0.00 179.01 179.70 2ipw h LYS 194 N 1.09 0.51 -0.14 2.33 1.57 -1.99 -1.79 116.57 118.15 2ipw h LYS 194 Ca 0.47 -0.40 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 2ipw h LYS 194 Cb 0.33 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2ipw h LYS 194 CO -0.22 1.02 -0.55 1.25 -0.57 0.00 0.00 179.45 180.38 2ipw h LEU 195 N 0.10 0.45 -0.41 2.94 5.85 -1.83 -0.81 115.31 121.61 2ipw h LEU 195 Ca -0.03 -0.24 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 2ipw h LEU 195 Cb 1.10 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2ipw h LEU 195 CO 0.10 0.91 -0.47 0.40 -0.34 0.00 0.00 178.44 179.05 2ipw h ILE 196 N 0.31 1.28 -0.52 4.05 2.04 -1.35 -0.16 117.51 123.16 2ipw h ILE 196 Ca 0.00 -1.65 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 2ipw h ILE 196 Cb 1.07 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2ipw h ILE 196 CO 0.10 0.54 0.02 -0.61 0.00 0.00 0.00 178.15 178.20 2ipw h GLN 197 N 0.66 0.90 0.23 2.37 -0.00 -1.22 -1.32 115.11 116.72 2ipw h GLN 197 Ca 0.04 -0.27 -0.01 0.00 -0.00 0.00 0.00 58.65 58.40 2ipw h GLN 197 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.44 2ipw h GLN 197 CO 0.10 0.91 -0.11 -0.92 0.00 0.00 0.00 178.83 178.82 2ipw h TYR 198 N 0.77 -0.28 -0.60 3.99 5.03 -0.99 -2.53 116.97 122.36 2ipw h TYR 198 Ca 0.15 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 2ipw h TYR 198 Cb 0.49 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 2ipw h TYR 198 CO 0.04 -0.07 0.26 0.00 -1.32 0.00 0.00 178.16 177.07 2ipw h GLN 200 N 0.82 0.00 0.00 0.00 4.20 -1.26 -1.68 115.11 117.19 2ipw h GLN 200 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2ipw h GLN 200 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2ipw h GLN 200 CO -0.02 0.17 -0.02 -1.13 -0.67 0.00 0.00 178.83 177.16 2ipw n SER 201 N -3.69 0.18 -0.86 1.46 3.41 -0.96 -3.23 113.62 109.93 2ipw n SER 201 Ca -0.02 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.16 2ipw n SER 201 Cb 0.28 -0.54 0.21 0.00 -0.26 0.00 0.00 64.21 63.91 2ipw n SER 201 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ipw n LYS 202 N -1.66 2.98 -1.31 4.33 4.76 -0.71 -4.97 118.16 121.59 2ipw n LYS 202 Ca 0.07 -2.37 -0.09 0.00 -2.87 0.00 0.00 58.31 53.05 2ipw n LYS 202 Cb 0.36 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 32.02 2ipw n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ipw n GLY 203 N 0.45 1.01 3.55 0.72 0.00 -1.16 -5.01 105.19 104.75 2ipw n GLY 203 Ca 0.16 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2ipw n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ipw s ILE 204 N -2.34 4.93 0.28 -0.61 1.01 -0.75 -4.58 121.20 119.14 2ipw s ILE 204 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.39 2ipw s ILE 204 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 2ipw s ILE 204 CO 0.00 0.31 1.15 -0.69 0.00 0.00 0.00 174.94 175.71 2ipw s VAL 205 N 1.51 3.34 -0.18 2.92 1.01 -0.81 -3.74 120.40 124.45 2ipw s VAL 205 Ca 0.06 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 2ipw s VAL 205 Cb -0.15 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2ipw s VAL 205 CO 0.07 0.30 0.02 -0.69 0.00 0.00 0.00 175.10 174.80 2ipw s VAL 206 N -1.00 4.34 -0.18 2.92 1.01 -1.26 -1.47 120.40 124.76 2ipw s VAL 206 Ca 0.46 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 2ipw s VAL 206 Cb -0.34 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2ipw s VAL 206 CO 0.43 0.46 -0.03 -0.89 0.00 0.00 0.00 175.10 175.07 2ipw s THR 207 N 0.50 3.80 -0.31 3.92 2.01 -1.11 -1.05 115.64 123.40 2ipw s THR 207 Ca 0.00 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 2ipw s THR 207 Cb -0.13 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 2ipw s THR 207 CO 0.02 0.47 0.38 0.00 -0.69 0.00 0.00 174.62 174.79 2ipw s ALA 208 N 0.70 3.52 0.29 7.40 0.00 0.11 -1.15 121.76 132.63 2ipw s ALA 208 Ca -0.02 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.97 2ipw s ALA 208 Cb -0.14 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.16 2ipw s ALA 208 CO 0.02 -0.91 0.35 1.52 0.00 0.00 0.00 175.76 176.74 2ipw s TYR 209 N 2.07 3.18 -1.31 0.00 -0.85 -0.01 -3.23 117.35 117.20 2ipw s TYR 209 Ca 0.13 -0.15 -0.00 0.00 -0.52 0.00 0.00 57.07 56.53 2ipw s TYR 209 Cb -0.16 -1.70 0.00 0.00 0.38 0.00 0.00 41.96 40.48 2ipw s TYR 209 CO 0.11 0.28 0.72 0.43 -1.52 0.00 0.00 175.55 175.57 2ipw n SER 210 N -1.42 -1.28 0.26 -0.18 7.64 -1.26 -2.34 113.62 115.03 2ipw n SER 210 Ca -0.05 -0.81 0.11 0.00 1.01 0.00 0.00 58.87 59.13 2ipw n SER 210 Cb 0.58 -4.10 0.70 0.00 -1.01 0.00 0.00 64.21 60.38 2ipw n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2ipw h PRO 211 N -1.88 0.00 -0.66 1.43 0.13 -1.79 -2.10 132.00 127.13 2ipw h PRO 211 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2ipw h PRO 211 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2ipw h PRO 211 CO 0.56 0.12 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 2ipw n LEU 212 N -3.82 3.78 0.00 1.56 4.77 -1.26 -4.77 117.00 117.26 2ipw n LEU 212 Ca -0.02 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2ipw n LEU 212 Cb 0.22 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2ipw n LEU 212 CO 0.31 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 2ipw n GLY 213 N 1.46 0.61 3.74 -0.72 0.00 -0.79 -4.36 105.19 105.13 2ipw n GLY 213 Ca 0.22 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2ipw n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ipw n SER 214 N 0.17 -5.19 0.27 1.61 2.88 -1.26 -4.85 113.62 107.25 2ipw n SER 214 Ca 0.00 -0.97 0.17 0.00 -1.33 0.00 0.00 58.87 56.74 2ipw n SER 214 Cb 0.00 -2.72 0.91 0.00 -0.75 0.00 0.00 64.21 61.65 2ipw n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2ipw h PRO 215 N -1.41 0.00 -0.49 -1.46 0.13 -1.98 -2.07 132.00 124.72 2ipw h PRO 215 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2ipw h PRO 215 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2ipw h PRO 215 CO 0.44 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.81 2ipw n ASP 216 N -2.72 4.66 -4.72 1.44 3.85 -1.26 -5.01 116.55 112.79 2ipw n ASP 216 Ca -0.02 -2.72 -0.42 0.00 -0.71 0.00 0.00 54.79 50.91 2ipw n ASP 216 Cb 0.12 -0.57 -0.01 0.00 -1.35 0.00 0.00 41.12 39.31 2ipw n ASP 216 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 2ipw n ARG 217 N 0.45 2.35 -0.19 0.11 1.85 -0.78 -4.89 116.66 115.56 2ipw n ARG 217 Ca 0.24 0.83 0.17 0.00 -1.00 0.00 0.00 57.85 58.09 2ipw n ARG 217 Cb 0.95 -2.49 0.52 0.00 -1.05 0.00 0.00 32.46 30.39 2ipw n ARG 217 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2ipw h PRO 218 N 3.16 0.37 -0.08 2.89 0.11 -1.95 -2.89 132.00 133.62 2ipw h PRO 218 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ipw h PRO 218 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ipw h PRO 218 CO 0.67 0.25 0.00 2.48 -0.21 0.00 0.00 178.00 181.18 2ipw n TYR 219 N -4.48 0.10 0.00 0.65 4.11 -1.26 -5.30 117.16 110.99 2ipw n TYR 219 Ca 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 57.90 58.01 2ipw n TYR 219 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 2ipw n TYR 219 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ipw n ALA 220 N -0.31 -0.39 0.00 -3.48 0.00 -1.10 -5.17 120.51 110.06 2ipw n ALA 220 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ipw n ALA 220 Cb 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2ipw n ALA 220 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ipw n GLU 223 N -0.04 0.00 -2.59 0.00 -0.00 -1.26 -5.16 120.64 111.60 2ipw n GLU 223 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.16 56.80 2ipw n GLU 223 Cb 0.00 -0.65 -0.04 0.00 -0.00 0.00 0.00 31.44 30.75 2ipw n GLU 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2ipw s ASP 224 N -0.30 6.77 0.29 -1.84 1.01 -1.26 -5.03 116.67 116.30 2ipw s ASP 224 Ca 0.00 1.98 -0.29 0.00 0.71 0.00 0.00 52.55 54.95 2ipw s ASP 224 Cb 0.00 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2ipw s ASP 224 CO 0.00 -0.48 1.18 -2.16 0.21 0.00 0.00 175.17 173.92 2ipw s PRO 225 N -2.60 4.53 -0.16 8.23 0.04 -1.26 -5.04 135.00 138.74 2ipw s PRO 225 Ca 0.59 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 2ipw s PRO 225 Cb -0.20 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2ipw s PRO 225 CO 0.25 0.06 -0.12 0.45 0.04 0.00 0.00 177.00 177.67 2ipw s SER 226 N -0.67 3.91 -0.06 6.66 0.15 -1.26 -5.01 113.70 117.42 2ipw s SER 226 Ca 0.47 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 56.45 2ipw s SER 226 Cb -0.35 -1.62 -0.22 0.00 -1.71 0.00 0.00 66.02 62.13 2ipw s SER 226 CO 0.45 0.09 1.08 -0.07 1.20 0.00 0.00 173.24 175.99 2ipw h LEU 227 N 7.25 -0.01 -2.66 3.45 3.38 -1.94 -2.94 115.31 121.85 2ipw h LEU 227 Ca -0.32 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.00 2ipw h LEU 227 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2ipw h LEU 227 CO 0.58 0.65 0.09 -0.07 0.09 0.00 0.00 178.44 179.78 2ipw h LEU 228 N -0.68 0.00 -1.94 1.67 3.38 -1.94 -1.28 115.31 114.52 2ipw h LEU 228 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ipw h LEU 228 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ipw h LEU 228 CO 0.00 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.91 2ipw n GLU 229 N -3.20 1.79 -1.99 1.13 4.71 -1.23 -4.90 120.64 116.95 2ipw n GLU 229 Ca -0.02 -1.76 -0.42 0.00 -0.01 0.00 0.00 57.16 54.95 2ipw n GLU 229 Cb 0.16 -1.37 -0.03 0.00 -1.01 0.00 0.00 31.44 29.20 2ipw n GLU 229 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2ipw s ASP 230 N -1.41 6.53 0.41 1.62 3.68 -0.49 -4.90 116.67 122.12 2ipw s ASP 230 Ca 0.25 2.10 0.10 0.00 2.13 0.00 0.00 52.55 57.13 2ipw s ASP 230 Cb 0.16 -2.53 0.92 0.00 -1.45 0.00 0.00 42.92 40.02 2ipw s ASP 230 CO 0.23 -1.06 2.00 1.55 0.13 0.00 0.00 175.17 178.02 2ipw h PRO 231 N 10.16 0.51 -0.37 4.34 0.13 -1.92 -0.94 132.00 143.91 2ipw h PRO 231 Ca -0.39 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 2ipw h PRO 231 Cb 1.18 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2ipw h PRO 231 CO 0.96 0.33 -0.21 0.00 -0.23 0.00 0.00 178.00 178.86 2ipw h ARG 232 N 0.52 0.71 0.00 0.86 3.08 -1.97 -2.09 114.38 115.49 2ipw h ARG 232 Ca 0.25 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 2ipw h ARG 232 Cb 0.31 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2ipw h ARG 232 CO -0.07 0.86 -0.76 0.82 -1.07 0.00 0.00 179.97 179.75 2ipw h ILE 233 N 0.62 1.29 -0.04 2.04 2.04 -1.74 -3.17 117.51 118.56 2ipw h ILE 233 Ca 0.09 -2.83 -0.12 0.00 1.00 0.00 0.00 64.86 62.99 2ipw h ILE 233 Cb 0.70 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 2ipw h ILE 233 CO 0.05 0.74 -0.55 0.11 0.00 0.00 0.00 178.15 178.50 2ipw h LYS 234 N 0.00 0.11 -0.39 2.37 1.57 -0.96 -2.54 116.57 116.73 2ipw h LYS 234 Ca -0.01 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 2ipw h LYS 234 Cb 1.58 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.89 2ipw h LYS 234 CO 0.10 0.63 -0.13 0.00 -0.57 0.00 0.00 179.45 179.47 2ipw h ALA 235 N 1.36 0.54 -0.64 3.86 0.00 -1.38 -1.47 119.26 121.53 2ipw h ALA 235 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2ipw h ALA 235 Cb 0.99 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2ipw h ALA 235 CO 0.08 0.44 0.16 0.82 0.00 0.00 0.00 179.25 180.76 2ipw h ILE 236 N 0.59 1.25 -0.36 0.00 2.04 -1.51 -2.45 117.51 117.07 2ipw h ILE 236 Ca 0.09 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 2ipw h ILE 236 Cb 0.67 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2ipw h ILE 236 CO 0.05 0.34 -0.03 0.00 0.00 0.00 0.00 178.15 178.50 2ipw h ALA 237 N 1.22 0.48 -0.80 1.87 0.00 -1.29 -3.10 119.26 117.64 2ipw h ALA 237 Ca 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ipw h ALA 237 Cb 0.32 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2ipw h ALA 237 CO -0.00 0.28 0.46 0.00 0.00 0.00 0.00 179.25 179.99 2ipw h ALA 238 N 0.85 1.30 0.00 0.00 0.00 -1.07 -0.34 119.26 120.00 2ipw h ALA 238 Ca 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2ipw h ALA 238 Cb 0.51 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ipw h ALA 238 CO 0.02 0.58 -0.16 -0.22 0.00 0.00 0.00 179.25 179.48 2ipw h LYS 239 N 1.11 0.00 -0.12 0.00 3.64 -1.38 -1.94 116.57 117.87 2ipw h LYS 239 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2ipw h LYS 239 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2ipw h LYS 239 CO -0.05 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.01 2ipw n HIS 240 N -4.17 0.13 -1.79 1.91 8.25 -0.84 -4.96 115.22 113.77 2ipw n HIS 240 Ca -0.02 -0.07 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 2ipw n HIS 240 Cb 0.23 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 2ipw n HIS 240 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2ipw n ASN 241 N 1.31 -5.17 -4.86 0.41 3.02 -0.39 -5.00 115.26 104.58 2ipw n ASN 241 Ca 0.15 0.29 -0.23 0.00 -0.03 0.00 0.00 54.58 54.76 2ipw n ASN 241 Cb 0.57 -4.24 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 2ipw n ASN 241 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2ipw s LYS 242 N -3.96 2.37 0.56 3.52 -0.14 -0.28 -4.99 119.74 116.83 2ipw s LYS 242 Ca 0.00 -1.76 -0.05 0.00 -1.36 0.00 0.00 55.97 52.80 2ipw s LYS 242 Cb 0.00 -2.21 0.00 0.00 -1.68 0.00 0.00 37.83 33.94 2ipw s LYS 242 CO 0.00 -0.33 0.86 0.95 -0.76 0.00 0.00 175.35 176.07 2ipw s THR 243 N -2.60 3.88 0.37 2.17 -4.23 -1.26 -4.10 115.64 109.87 2ipw s THR 243 Ca 0.42 -0.01 0.28 0.00 -1.18 0.00 0.00 61.69 61.20 2ipw s THR 243 Cb -0.01 -3.52 0.30 0.00 1.34 0.00 0.00 72.50 70.61 2ipw s THR 243 CO 0.25 -0.51 2.05 0.71 -0.54 0.00 0.00 174.62 176.57 2ipw h THR 244 N -0.06 0.49 -0.25 3.99 1.35 -1.90 -2.57 112.91 113.95 2ipw h THR 244 Ca -0.46 -0.58 -0.18 0.00 -0.55 0.00 0.00 66.41 64.65 2ipw h THR 244 Cb 1.25 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2ipw h THR 244 CO 0.60 0.12 -0.53 0.00 -0.25 0.00 0.00 175.52 175.45 2ipw h ALA 245 N 1.88 0.40 -0.14 6.62 0.00 -1.93 -1.54 119.26 124.56 2ipw h ALA 245 Ca -0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2ipw h ALA 245 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ipw h ALA 245 CO 0.02 0.61 -0.26 1.96 0.00 0.00 0.00 179.25 181.58 2ipw h GLN 246 N 0.56 0.25 -0.09 0.00 4.20 -1.81 -0.19 115.11 118.03 2ipw h GLN 246 Ca 0.00 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 2ipw h GLN 246 Cb 1.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2ipw h GLN 246 CO 0.12 0.50 -0.29 0.28 -0.67 0.00 0.00 178.83 178.76 2ipw h VAL 247 N 0.23 1.40 0.00 -0.54 2.07 -1.42 -0.81 116.25 117.18 2ipw h VAL 247 Ca 0.04 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 2ipw h VAL 247 Cb 0.58 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2ipw h VAL 247 CO 0.04 0.47 -0.13 -0.07 0.02 0.00 0.00 177.57 177.90 2ipw h LEU 248 N -0.09 0.00 0.09 2.57 3.38 -0.97 0.86 115.31 121.15 2ipw h LEU 248 Ca -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 2ipw h LEU 248 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2ipw h LEU 248 CO 0.06 0.13 -1.64 0.40 0.09 0.00 0.00 178.44 177.48 2ipw h ILE 249 N 0.00 1.01 0.00 1.22 2.04 -1.00 -3.34 117.51 117.43 2ipw h ILE 249 Ca -0.00 -2.70 -0.10 0.00 1.00 0.00 0.00 64.86 63.05 2ipw h ILE 249 Cb 0.35 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2ipw h ILE 249 CO 0.02 0.77 -0.50 -0.09 0.00 0.00 0.00 178.15 178.35 2ipw h ARG 250 N 0.05 0.00 0.26 2.37 9.65 -0.61 -3.29 114.38 122.81 2ipw h ARG 250 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 2ipw h ARG 250 Cb 2.01 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.56 2ipw h ARG 250 CO 0.13 0.50 -0.50 0.35 2.80 0.00 0.00 179.97 183.25 2ipw h PHE 251 N 0.00 -1.42 -0.00 2.20 -0.00 -0.96 -2.34 116.94 114.41 2ipw h PHE 251 Ca -0.00 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.92 2ipw h PHE 251 Cb 0.97 0.59 -0.01 0.00 -0.00 0.00 0.00 35.95 37.50 2ipw h PHE 251 CO 0.00 -0.60 -0.32 -1.00 -0.00 0.00 0.00 178.31 176.39 2ipw h PRO 252 N -0.82 0.00 -0.80 6.41 0.13 -1.74 -2.89 132.00 132.29 2ipw h PRO 252 Ca -0.03 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2ipw h PRO 252 Cb 0.77 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.85 2ipw h PRO 252 CO -0.19 0.33 0.51 0.52 -0.23 0.00 0.00 178.00 178.93 2ipw h MET 253 N 0.00 0.94 0.00 0.86 2.86 -1.56 -0.55 114.93 117.49 2ipw h MET 253 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2ipw h MET 253 Cb 0.57 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2ipw h MET 253 CO 0.04 0.62 0.00 1.04 1.06 0.00 0.00 176.91 179.67 2ipw n GLN 254 N -4.61 0.36 -0.30 1.72 6.02 -0.91 -1.74 117.38 117.93 2ipw n GLN 254 Ca 0.10 0.06 0.12 0.00 -0.01 0.00 0.00 57.00 57.27 2ipw n GLN 254 Cb 0.12 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.15 2ipw n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ipw n ARG 255 N -1.27 2.64 -3.05 -1.09 1.74 -0.31 -4.94 116.66 110.37 2ipw n ARG 255 Ca 0.12 -2.51 -0.16 0.00 -0.77 0.00 0.00 57.85 54.53 2ipw n ARG 255 Cb 0.18 -1.54 0.04 0.00 -1.02 0.00 0.00 32.46 30.12 2ipw n ARG 255 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ipw n ASN 256 N 1.57 -4.93 -4.61 0.55 3.02 -0.71 -5.03 115.26 105.12 2ipw n ASN 256 Ca 0.22 -0.30 -0.28 0.00 -0.03 0.00 0.00 54.58 54.19 2ipw n ASN 256 Cb 0.61 -3.64 -0.09 0.00 -0.61 0.00 0.00 39.78 36.05 2ipw n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ipw s LEU 257 N -5.13 3.14 0.04 3.41 1.43 -0.60 -4.70 118.68 116.26 2ipw s LEU 257 Ca 0.32 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.79 2ipw s LEU 257 Cb -0.14 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 2ipw s LEU 257 CO 0.40 0.14 0.65 -0.69 0.23 0.00 0.00 176.35 177.07 2ipw s VAL 258 N -1.47 4.79 -0.03 -1.59 1.01 -0.22 -4.04 120.40 118.84 2ipw s VAL 258 Ca 0.24 1.37 0.07 0.00 0.00 0.00 0.00 61.98 63.67 2ipw s VAL 258 Cb -0.10 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2ipw s VAL 258 CO 0.16 0.44 -0.24 0.54 0.00 0.00 0.00 175.10 175.99 2ipw s VAL 259 N -0.40 1.96 -0.54 2.92 0.11 0.74 0.07 120.40 125.26 2ipw s VAL 259 Ca 0.33 -1.04 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 2ipw s VAL 259 Cb -0.19 -1.64 0.24 0.00 -1.53 0.00 0.00 36.38 33.26 2ipw s VAL 259 CO 0.20 0.55 0.64 2.30 -3.33 0.00 0.00 175.10 175.46 2ipw n ILE 260 N 2.67 1.07 -2.08 7.04 -5.35 -1.20 -0.87 119.36 120.64 2ipw n ILE 260 Ca -0.16 -4.69 -0.41 0.00 -0.27 0.00 0.00 62.75 57.21 2ipw n ILE 260 Cb 0.52 -2.04 -0.02 0.00 -1.74 0.00 0.00 39.64 36.36 2ipw n ILE 260 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2ipw s PRO 261 N -1.86 4.32 0.03 6.28 0.04 -1.20 -3.62 135.00 138.99 2ipw s PRO 261 Ca 0.37 2.24 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2ipw s PRO 261 Cb 0.14 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 2ipw s PRO 261 CO -0.06 -0.28 0.37 0.21 0.04 0.00 0.00 177.00 177.28 2ipw s LYS 262 N -1.23 3.76 -0.27 4.56 2.36 -1.26 -2.14 119.74 125.52 2ipw s LYS 262 Ca 0.53 0.19 -0.26 0.00 -2.55 0.00 0.00 55.97 53.87 2ipw s LYS 262 Cb -0.40 -3.09 0.14 0.00 -1.05 0.00 0.00 37.83 33.43 2ipw s LYS 262 CO 0.49 0.63 1.11 0.45 1.55 0.00 0.00 175.35 179.58 2ipw s SER 263 N -1.51 -0.35 0.00 1.43 0.15 -1.26 -4.94 113.70 107.22 2ipw s SER 263 Ca 0.28 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.57 2ipw s SER 263 Cb -0.14 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.81 2ipw s SER 263 CO 0.15 -0.15 0.99 1.33 1.20 0.00 0.00 173.24 176.76 2ipw n VAL 264 N 1.81 0.93 -3.69 4.45 0.24 -1.26 -4.93 118.33 115.88 2ipw n VAL 264 Ca -0.11 -0.97 -0.38 0.00 -2.04 0.00 0.00 64.34 60.84 2ipw n VAL 264 Cb 0.56 0.54 -0.12 0.00 -1.47 0.00 0.00 33.84 33.35 2ipw n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2ipw s THR 265 N -0.94 4.48 0.25 3.34 2.01 -1.26 -4.78 115.64 118.75 2ipw s THR 265 Ca 0.02 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 2ipw s THR 265 Cb 0.01 -3.22 0.27 0.00 0.01 0.00 0.00 72.50 69.57 2ipw s THR 265 CO 0.01 0.16 1.65 -0.65 -0.69 0.00 0.00 174.62 175.10 2ipw h PRO 266 N 8.30 0.15 -0.33 4.92 0.11 -1.95 0.11 132.00 143.31 2ipw h PRO 266 Ca -0.34 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 2ipw h PRO 266 Cb 1.16 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2ipw h PRO 266 CO 0.60 0.10 -0.23 1.05 -0.21 0.00 0.00 178.00 179.31 2ipw h GLU 267 N 0.15 0.63 -0.06 1.05 9.09 -1.99 -1.59 114.58 121.86 2ipw h GLU 267 Ca 0.43 -0.24 -0.22 0.00 0.05 0.00 0.00 59.36 59.37 2ipw h GLU 267 Cb 0.78 -0.04 0.01 0.00 -1.65 0.00 0.00 28.75 27.85 2ipw h GLU 267 CO -0.63 0.81 -0.87 0.00 0.05 0.00 0.00 179.01 178.37 2ipw h ARG 268 N 0.56 0.59 -0.58 1.06 3.08 -1.73 -0.72 114.38 116.64 2ipw h ARG 268 Ca 0.08 -0.55 0.01 0.00 0.07 0.00 0.00 59.98 59.59 2ipw h ARG 268 Cb 0.69 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 2ipw h ARG 268 CO 0.05 1.17 0.38 0.82 -1.07 0.00 0.00 179.97 181.32 2ipw h ILE 269 N 0.37 1.13 -0.42 2.04 2.04 -0.68 0.18 117.51 122.17 2ipw h ILE 269 Ca -0.07 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 2ipw h ILE 269 Cb 1.49 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 2ipw h ILE 269 CO 0.16 0.14 -0.30 0.00 0.00 0.00 0.00 178.15 178.15 2ipw h ALA 270 N 1.22 0.67 -0.55 1.87 0.00 -1.25 -3.00 119.26 118.23 2ipw h ALA 270 Ca 0.22 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2ipw h ALA 270 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2ipw h ALA 270 CO -0.06 0.67 0.22 1.49 0.00 0.00 0.00 179.25 181.58 2ipw h GLU 271 N 0.78 0.81 0.00 0.00 4.81 -0.64 -2.52 114.58 117.82 2ipw h GLU 271 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2ipw h GLU 271 Cb 0.88 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2ipw h GLU 271 CO 0.08 0.70 0.00 0.09 -0.73 0.00 0.00 179.01 179.15 2ipw n ASN 272 N -4.52 0.47 0.06 1.04 3.02 0.59 -1.98 115.26 113.94 2ipw n ASN 272 Ca 0.03 0.65 0.04 0.00 -0.03 0.00 0.00 54.58 55.27 2ipw n ASN 272 Cb 0.16 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.54 2ipw n ASN 272 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2ipw h PHE 273 N 0.00 0.00 -0.24 3.10 3.57 -1.32 -3.39 116.94 118.66 2ipw h PHE 273 Ca 0.00 0.00 -0.69 0.00 3.53 0.00 0.00 57.97 60.81 2ipw h PHE 273 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 2ipw h PHE 273 CO 0.00 0.38 3.55 1.63 -2.23 0.00 0.00 178.31 181.64 2ipw n LYS 274 N -2.84 3.86 -0.60 1.11 5.02 -0.84 -4.30 118.16 119.57 2ipw n LYS 274 Ca -0.06 -2.47 0.06 0.00 -2.02 0.00 0.00 58.31 53.82 2ipw n LYS 274 Cb 0.74 -2.78 0.12 0.00 -0.02 0.00 0.00 35.03 33.08 2ipw n LYS 274 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2ipw n VAL 275 N 3.25 1.32 0.19 -0.18 0.24 -1.26 -4.69 118.33 117.19 2ipw n VAL 275 Ca 0.75 -1.99 0.03 0.00 -2.04 0.00 0.00 64.34 61.09 2ipw n VAL 275 Cb 0.24 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.69 2ipw n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2ipw n PHE 276 N -0.71 0.00 1.22 6.34 3.01 -1.26 -4.66 117.46 121.40 2ipw n PHE 276 Ca 0.12 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.70 2ipw n PHE 276 Cb 0.77 -0.04 0.39 0.00 -0.01 0.00 0.00 39.48 40.59 2ipw n PHE 276 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2ipw n ASP 277 N -1.32 1.83 -4.20 4.37 3.85 -1.26 -4.94 116.55 114.88 2ipw n ASP 277 Ca 0.00 -1.68 -0.12 0.00 -0.71 0.00 0.00 54.79 52.28 2ipw n ASP 277 Cb 0.11 -0.08 -0.10 0.00 -1.35 0.00 0.00 41.12 39.70 2ipw n ASP 277 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 2ipw s PHE 278 N -1.84 1.09 -0.01 2.11 -0.71 -1.26 -5.16 117.98 112.19 2ipw s PHE 278 Ca 0.34 -1.24 0.00 0.00 -1.04 0.00 0.00 56.93 55.00 2ipw s PHE 278 Cb 0.19 -0.59 0.01 0.00 -1.21 0.00 0.00 43.02 41.42 2ipw s PHE 278 CO 0.29 -0.48 -0.00 -2.00 -1.34 0.00 0.00 175.22 171.69 2ipw s GLU 279 N -4.06 0.16 -0.00 1.99 2.12 -1.26 -5.06 118.70 112.59 2ipw s GLU 279 Ca 0.30 0.03 -0.25 0.00 0.36 0.00 0.00 54.97 55.41 2ipw s GLU 279 Cb 0.07 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.15 2ipw s GLU 279 CO 0.06 -0.05 0.77 -0.51 -0.54 0.00 0.00 175.26 174.99 2ipw s LEU 280 N 0.50 4.39 0.93 2.70 1.43 -1.26 -5.05 118.68 122.32 2ipw s LEU 280 Ca -0.05 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 2ipw s LEU 280 Cb -0.07 -3.22 0.15 0.00 0.03 0.00 0.00 46.19 43.08 2ipw s LEU 280 CO -0.01 -0.07 1.10 -0.94 0.23 0.00 0.00 176.35 176.66 2ipw s SER 281 N 0.41 2.98 0.54 2.29 1.04 -1.26 -4.79 113.70 114.90 2ipw s SER 281 Ca 0.40 1.82 0.27 0.00 0.48 0.00 0.00 55.95 58.92 2ipw s SER 281 Cb -0.20 -2.41 1.54 0.00 0.10 0.00 0.00 66.02 65.06 2ipw s SER 281 CO 0.22 -3.00 2.13 0.77 0.98 0.00 0.00 173.24 174.33 2ipw h SER 282 N -1.80 0.00 -0.15 7.02 4.64 -1.99 -1.64 113.55 119.62 2ipw h SER 282 Ca -0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 2ipw h SER 282 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2ipw h SER 282 CO 0.48 0.08 -0.40 -0.61 -0.87 0.00 0.00 176.83 175.52 2ipw h GLN 283 N 0.00 0.54 -0.98 4.77 4.15 -1.99 -1.96 115.11 119.63 2ipw h GLN 283 Ca -0.00 -0.38 0.02 0.00 0.77 0.00 0.00 58.65 59.06 2ipw h GLN 283 Cb 0.23 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 2ipw h GLN 283 CO 0.01 0.99 0.65 -0.44 -1.93 0.00 0.00 178.83 178.12 2ipw h ASP 284 N 0.18 1.12 0.07 -0.69 3.45 -1.67 -1.46 116.42 117.41 2ipw h ASP 284 Ca -0.01 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 2ipw h ASP 284 Cb 1.01 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.51 2ipw h ASP 284 CO 0.09 0.80 -0.03 0.24 -1.57 0.00 0.00 179.24 178.76 2ipw h MET 285 N 1.31 -0.09 -0.58 3.56 2.86 -1.27 -1.58 114.93 119.13 2ipw h MET 285 Ca 0.37 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.03 2ipw h MET 285 Cb -0.12 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2ipw h MET 285 CO -0.09 0.19 0.39 1.15 1.06 0.00 0.00 176.91 179.61 2ipw h THR 286 N -0.38 1.13 -0.14 2.22 2.02 -1.18 -1.19 112.91 115.39 2ipw h THR 286 Ca -0.01 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2ipw h THR 286 Cb 0.33 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2ipw h THR 286 CO 0.02 0.14 -0.05 0.74 0.37 0.00 0.00 175.52 176.74 2ipw h THR 287 N 0.76 1.30 -0.25 3.16 2.02 -1.22 -2.42 112.91 116.26 2ipw h THR 287 Ca 0.22 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.35 2ipw h THR 287 Cb -0.04 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2ipw h THR 287 CO -0.05 0.30 0.10 -0.07 0.37 0.00 0.00 175.52 176.17 2ipw h LEU 288 N -0.04 0.31 -0.70 2.58 3.38 -0.73 -1.96 115.31 118.15 2ipw h LEU 288 Ca 0.03 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2ipw h LEU 288 Cb 0.49 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2ipw h LEU 288 CO 0.02 0.28 -0.61 -0.07 0.09 0.00 0.00 178.44 178.15 2ipw h LEU 289 N 0.35 0.17 -0.37 1.67 -0.00 -1.12 -3.07 115.31 112.95 2ipw h LEU 289 Ca 0.09 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2ipw h LEU 289 Cb 0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2ipw h LEU 289 CO -0.01 0.74 0.00 -1.54 -0.00 0.00 0.00 178.44 177.63 2ipw n SER 290 N -3.85 0.36 -0.15 -0.43 3.41 -0.74 -2.84 113.62 109.37 2ipw n SER 290 Ca -0.02 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.24 2ipw n SER 290 Cb 0.61 -0.66 0.33 0.00 -0.26 0.00 0.00 64.21 64.23 2ipw n SER 290 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ipw n TYR 291 N -1.89 0.08 -1.83 7.33 4.01 -1.16 -4.91 117.16 118.79 2ipw n TYR 291 Ca 0.03 -0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 2ipw n TYR 291 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 2ipw n TYR 291 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2ipw s ASN 292 N -1.36 6.47 0.00 7.72 2.47 -0.92 -4.28 114.94 125.04 2ipw s ASN 292 Ca 0.20 2.78 0.00 0.00 0.42 0.00 0.00 52.86 56.26 2ipw s ASN 292 Cb 0.10 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2ipw s ASN 292 CO 0.16 -0.89 0.12 0.54 -3.72 0.00 0.00 177.10 173.30 2ipw n ARG 293 N 3.62 2.41 -3.20 0.43 1.74 -0.78 -4.99 116.66 115.89 2ipw n ARG 293 Ca 0.13 -0.12 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 2ipw n ARG 293 Cb 0.37 -0.50 0.06 0.00 -1.02 0.00 0.00 32.46 31.37 2ipw n ARG 293 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ipw n ASN 294 N -0.38 -4.28 -4.69 0.55 5.03 -0.12 -5.01 115.26 106.36 2ipw n ASN 294 Ca 0.00 -0.39 -0.36 0.00 0.87 0.00 0.00 54.58 54.69 2ipw n ASN 294 Cb 0.04 -3.71 -0.08 0.00 -1.02 0.00 0.00 39.78 35.01 2ipw n ASN 294 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 2ipw s TRP 295 N -3.23 3.37 -0.07 3.10 -0.00 -0.71 -5.00 118.94 116.41 2ipw s TRP 295 Ca 0.30 0.37 0.03 0.00 -0.00 0.00 0.00 56.10 56.80 2ipw s TRP 295 Cb -0.13 -2.29 -0.02 0.00 -0.00 0.00 0.00 33.47 31.03 2ipw s TRP 295 CO 0.51 0.15 -0.14 1.03 -0.00 0.00 0.00 176.95 178.50 2ipw s ARG 296 N 0.80 2.73 -0.05 5.86 0.52 -1.26 -4.32 118.95 123.23 2ipw s ARG 296 Ca 0.11 -0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 54.59 2ipw s ARG 296 Cb -0.13 -2.45 -0.28 0.00 0.52 0.00 0.00 34.95 32.61 2ipw s ARG 296 CO 0.03 0.53 0.66 0.28 0.02 0.00 0.00 175.30 176.82 2ipw h VAL 297 N 4.59 0.93 -3.52 3.52 2.07 -1.98 -3.42 116.25 118.44 2ipw h VAL 297 Ca -0.42 -2.59 -0.68 0.00 0.82 0.00 0.00 66.70 63.82 2ipw h VAL 297 Cb 1.17 2.66 -0.36 0.00 -1.52 0.00 0.00 31.29 33.24 2ipw h VAL 297 CO 0.52 0.81 -0.53 0.00 0.02 0.00 0.00 177.57 178.39 2ipw s ALA 298 N -2.59 3.26 -0.86 1.67 0.00 -1.26 -4.91 121.76 117.06 2ipw s ALA 298 Ca -0.14 -2.82 0.08 0.00 0.00 0.00 0.00 51.96 49.08 2ipw s ALA 298 Cb 0.06 -2.39 0.13 0.00 0.00 0.00 0.00 23.12 20.92 2ipw s ALA 298 CO 0.83 -1.89 0.94 0.00 0.00 0.00 0.00 175.76 175.64 2ipw n ALA 299 N 4.08 2.33 -3.85 0.00 0.00 -1.26 -5.01 120.51 116.79 2ipw n ALA 299 Ca 0.02 -0.80 -0.37 0.00 0.00 0.00 0.00 53.44 52.30 2ipw n ALA 299 Cb 0.39 -0.29 0.03 0.00 0.00 0.00 0.00 19.45 19.58 2ipw n ALA 299 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ipw n LEU 300 N 0.36 -1.68 -0.06 0.00 4.77 -1.26 -4.85 117.00 114.28 2ipw n LEU 300 Ca 0.06 -1.11 0.09 0.00 -0.03 0.00 0.00 56.01 55.03 2ipw n LEU 300 Cb 0.28 -1.99 0.47 0.00 -2.33 0.00 0.00 43.42 39.86 2ipw n LEU 300 CO 0.05 0.57 1.18 -0.07 -1.33 0.00 0.00 177.39 177.79 2ipw h LEU 301 N -1.99 0.41 -1.23 2.23 -0.00 -1.99 -2.43 115.31 110.31 2ipw h LEU 301 Ca -0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 2ipw h LEU 301 Cb 1.37 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 2ipw h LEU 301 CO 0.48 0.26 0.00 -1.28 -0.00 0.00 0.00 178.44 177.90 2ipw h SER 302 N 0.46 0.00 -0.41 -0.43 0.87 -1.95 -3.12 113.55 108.98 2ipw h SER 302 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2ipw h SER 302 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2ipw h SER 302 CO -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.23 2ipw h THR 304 N 2.82 0.53 -0.46 0.00 1.03 -1.61 -0.72 112.91 114.49 2ipw h THR 304 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.34 2ipw h THR 304 Cb 1.69 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 2ipw h THR 304 CO 0.35 0.03 0.00 -1.54 -0.01 0.00 0.00 175.52 174.35 2ipw n SER 305 N -4.37 3.30 -4.77 0.00 3.41 -1.26 -4.91 113.62 105.02 2ipw n SER 305 Ca 0.22 -1.95 -0.40 0.00 -0.26 0.00 0.00 58.87 56.48 2ipw n SER 305 Cb 0.97 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.60 2ipw n SER 305 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2ipw s HIS 306 N -1.10 3.14 0.56 7.33 5.04 -0.28 -4.90 115.29 125.08 2ipw s HIS 306 Ca 0.34 1.51 0.26 0.00 -1.54 0.00 0.00 55.06 55.63 2ipw s HIS 306 Cb 0.19 -3.53 1.49 0.00 0.04 0.00 0.00 32.58 30.77 2ipw s HIS 306 CO 0.25 -1.48 2.04 1.57 -2.34 0.00 0.00 174.74 174.78 2ipw h LYS 307 N 3.22 0.00 -0.36 2.88 2.10 -1.94 -2.08 116.57 120.39 2ipw h LYS 307 Ca -0.48 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.12 2ipw h LYS 307 Cb 1.23 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.53 2ipw h LYS 307 CO 0.65 0.00 0.02 -0.25 -2.00 0.00 0.00 179.45 177.87 2ipw n ASP 308 N -4.09 4.07 -4.68 7.07 9.92 -1.26 -4.99 116.55 122.59 2ipw n ASP 308 Ca 0.05 -3.12 -0.44 0.00 -0.53 0.00 0.00 54.79 50.75 2ipw n ASP 308 Cb 0.45 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.30 2ipw n ASP 308 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ipw n TYR 309 N -0.41 2.48 0.22 1.24 9.36 -0.79 -4.37 117.16 124.89 2ipw n TYR 309 Ca 0.26 -0.14 0.11 0.00 3.32 0.00 0.00 57.90 61.45 2ipw n TYR 309 Cb 1.00 -2.72 0.30 0.00 -0.63 0.00 0.00 39.34 37.29 2ipw n TYR 309 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2ipw h PRO 310 N 9.07 0.00 -0.70 2.98 0.13 -1.92 -3.37 132.00 138.19 2ipw h PRO 310 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2ipw h PRO 310 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2ipw h PRO 310 CO 0.94 0.12 0.00 1.19 -0.23 0.00 0.00 178.00 180.02 2ipw n PHE 311 N -3.16 1.30 0.02 1.56 3.72 -1.26 -4.12 117.46 115.51 2ipw n PHE 311 Ca 0.02 -0.46 -0.11 0.00 -0.05 0.00 0.00 57.45 56.86 2ipw n PHE 311 Cb 0.50 -0.33 -0.14 0.00 -0.94 0.00 0.00 39.48 38.57 2ipw n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2ipw h HIS 312 N 2.65 0.13 -4.30 1.38 3.86 -1.98 -3.46 115.15 113.42 2ipw h HIS 312 Ca 0.00 -0.09 -0.50 0.00 -1.16 0.00 0.00 60.37 58.61 2ipw h HIS 312 Cb 1.39 -0.01 0.06 0.00 1.06 0.00 0.00 27.41 29.92 2ipw h HIS 312 CO 0.68 1.13 0.39 -1.21 0.86 0.00 0.00 177.93 179.78 2ipw s GLU 313 N -2.63 3.45 0.11 2.45 8.01 -1.26 -4.99 118.70 123.84 2ipw s GLU 313 Ca -0.05 0.64 -0.21 0.00 0.01 0.00 0.00 54.97 55.35 2ipw s GLU 313 Cb 0.08 -2.10 -0.10 0.00 -4.31 0.00 0.00 34.13 27.71 2ipw s GLU 313 CO 0.83 -0.62 1.75 1.49 0.01 0.00 0.00 175.26 178.71 2ipw h GLU 314 N -0.33 0.11 0.00 1.61 4.81 -1.92 -3.52 114.58 115.34 2ipw h GLU 314 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2ipw h GLU 314 Cb 1.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2ipw h GLU 314 CO 0.62 0.07 0.00 1.97 -0.73 0.00 0.00 179.01 180.95