#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ipw s MET 1 N 0.00 2.14 0.63 4.33 1.00 -1.26 -5.04 119.30 121.10 3ipw s MET 1 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 55.69 55.82 3ipw s MET 1 Cb 0.00 -1.95 -0.02 0.00 0.00 0.00 0.00 34.83 32.86 3ipw s MET 1 CO 0.00 -1.51 1.14 0.00 0.00 0.00 0.00 175.02 174.66 3ipw s ALA 2 N -3.42 2.49 -0.42 3.03 0.00 -1.26 -5.01 121.76 117.16 3ipw s ALA 2 Ca 0.61 0.74 0.02 0.00 0.00 0.00 0.00 51.96 53.33 3ipw s ALA 2 Cb -0.12 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.75 3ipw s ALA 2 CO 0.51 -1.21 0.17 -0.65 0.00 0.00 0.00 175.76 174.58 3ipw s GLN 3 N -3.73 1.82 0.00 0.00 -0.21 -1.26 -4.44 119.66 111.83 3ipw s GLN 3 Ca 0.71 -2.09 0.00 0.00 0.02 0.00 0.00 55.36 54.00 3ipw s GLN 3 Cb -0.24 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 30.40 3ipw s GLN 3 CO 0.37 -1.03 0.00 1.04 -2.12 0.00 0.00 175.29 173.55 3ipw n GLN 4 N 4.00 3.11 -4.40 2.91 6.02 0.14 -4.97 117.38 124.19 3ipw n GLN 4 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.83 3ipw n GLN 4 Cb 0.39 -0.89 -0.15 0.00 1.02 0.00 0.00 30.24 30.61 3ipw n GLN 4 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3ipw s PHE 5 N -1.78 0.87 -0.21 1.08 0.08 -0.48 -4.67 117.98 112.86 3ipw s PHE 5 Ca 0.00 -0.18 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 3ipw s PHE 5 Cb 0.00 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.89 3ipw s PHE 5 CO 0.00 -0.03 -0.11 0.42 -0.10 0.00 0.00 175.22 175.40 3ipw s ILE 6 N -0.14 2.66 -0.62 0.64 1.01 -1.26 -0.90 121.20 122.58 3ipw s ILE 6 Ca 0.02 -0.87 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 3ipw s ILE 6 Cb -0.05 -2.23 0.05 0.00 0.01 0.00 0.00 42.46 40.24 3ipw s ILE 6 CO -0.00 0.39 1.00 -0.62 0.00 0.00 0.00 174.94 175.71 3ipw s ASP 7 N 1.34 6.25 0.00 3.58 -1.08 -0.87 -4.67 116.67 121.22 3ipw s ASP 7 Ca 0.03 -0.63 0.26 0.00 -0.52 0.00 0.00 52.55 51.70 3ipw s ASP 7 Cb -0.15 -2.45 1.39 0.00 -1.46 0.00 0.00 42.92 40.26 3ipw s ASP 7 CO -0.08 -1.41 1.91 2.30 0.52 0.00 0.00 175.17 178.41 3ipw n ILE 8 N 6.12 0.12 -3.16 4.11 -5.35 -1.21 -0.80 119.36 119.19 3ipw n ILE 8 Ca -0.00 0.03 -0.06 0.00 -0.27 0.00 0.00 62.75 62.44 3ipw n ILE 8 Cb 0.47 -0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 3ipw n ILE 8 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ipw s GLY 9 N -2.44 -0.81 -0.19 3.28 0.00 -1.25 -4.67 107.32 101.24 3ipw s GLY 9 Ca 0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.57 3ipw s GLY 9 CO 0.38 3.34 -0.03 0.00 0.00 0.00 0.00 173.10 176.80 3ipw s ALA 10 N 1.41 2.96 -1.34 3.20 0.00 -0.41 0.20 121.76 127.78 3ipw s ALA 10 Ca 0.20 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 3ipw s ALA 10 Cb -0.05 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.43 3ipw s ALA 10 CO -0.06 -0.07 2.66 0.09 0.00 0.00 0.00 175.76 178.38 3ipw n ASN 11 N 4.10 8.14 0.00 0.00 3.02 0.41 -1.39 115.26 129.54 3ipw n ASN 11 Ca -0.17 -2.92 0.08 0.00 -0.03 0.00 0.00 54.58 51.53 3ipw n ASN 11 Cb 0.52 -1.43 0.36 0.00 -0.61 0.00 0.00 39.78 38.62 3ipw n ASN 11 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ipw n LEU 12 N 2.36 0.00 -0.01 3.41 4.77 -1.26 -1.41 117.00 124.86 3ipw n LEU 12 Ca 0.67 0.43 0.14 0.00 -0.03 0.00 0.00 56.01 57.22 3ipw n LEU 12 Cb 0.28 -0.43 0.68 0.00 -2.33 0.00 0.00 43.42 41.63 3ipw n LEU 12 CO 0.71 -0.20 0.97 0.35 -1.33 0.00 0.00 177.39 177.89 3ipw n THR 13 N -1.43 0.00 -1.75 -5.08 -2.24 -1.26 -4.80 114.28 97.72 3ipw n THR 13 Ca 0.05 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.43 3ipw n THR 13 Cb 0.16 -0.44 0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3ipw n THR 13 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ipw n ASP 14 N -1.34 3.04 -0.36 3.42 2.03 -0.50 -4.88 116.55 117.97 3ipw n ASP 14 Ca 0.12 1.06 0.26 0.00 0.52 0.00 0.00 54.79 56.75 3ipw n ASP 14 Cb 0.28 -1.59 0.53 0.00 -0.72 0.00 0.00 41.12 39.62 3ipw n ASP 14 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 3ipw h ASP 15 N 1.92 0.42 -0.34 1.67 3.32 -1.90 -2.43 116.42 119.08 3ipw h ASP 15 Ca -0.51 0.12 0.05 0.00 0.02 0.00 0.00 57.03 56.71 3ipw h ASP 15 Cb 1.28 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 3ipw h ASP 15 CO 0.59 -0.02 0.23 0.78 -1.72 0.00 0.00 179.24 179.10 3ipw h ASN 16 N 0.31 0.21 1.14 6.45 4.21 -1.81 -0.34 115.58 125.75 3ipw h ASN 16 Ca 0.68 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.19 3ipw h ASN 16 Cb 1.81 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.96 3ipw h ASN 16 CO -0.40 0.14 0.00 -1.22 -1.29 0.00 0.00 177.43 174.66 3ipw n TYR 17 N -4.48 0.39 -0.58 1.19 4.01 -0.91 -1.81 117.16 114.98 3ipw n TYR 17 Ca 0.04 0.12 0.10 0.00 -0.16 0.00 0.00 57.90 57.99 3ipw n TYR 17 Cb 0.24 -0.69 0.36 0.00 -0.31 0.00 0.00 39.34 38.93 3ipw n TYR 17 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ipw n PHE 18 N -1.83 1.46 -1.37 -0.72 3.72 -0.23 -1.81 117.46 116.69 3ipw n PHE 18 Ca 0.06 -0.59 -0.10 0.00 -0.05 0.00 0.00 57.45 56.76 3ipw n PHE 18 Cb 0.36 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.63 3ipw n PHE 18 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ipw n GLY 19 N 1.21 1.09 3.37 1.37 0.00 -0.75 -4.00 105.19 107.49 3ipw n GLY 19 Ca 0.26 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 3ipw n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ipw s ASN 20 N -2.86 4.50 -0.23 1.61 0.01 -0.67 0.36 114.94 117.66 3ipw s ASN 20 Ca 0.00 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 3ipw s ASN 20 Cb 0.00 -1.76 0.06 0.00 0.41 0.00 0.00 41.25 39.95 3ipw s ASN 20 CO 0.00 0.03 -0.04 -0.31 -1.51 0.00 0.00 177.10 175.27 3ipw s TYR 21 N 1.19 2.19 -1.53 2.20 2.02 -0.69 -2.39 117.35 120.34 3ipw s TYR 21 Ca 0.02 -1.61 -0.13 0.00 -0.37 0.00 0.00 57.07 54.98 3ipw s TYR 21 Cb -0.14 -1.50 0.08 0.00 -0.40 0.00 0.00 41.96 40.00 3ipw s TYR 21 CO -0.00 -0.75 0.96 0.72 -1.57 0.00 0.00 175.55 174.91 3ipw n HIS 22 N 4.73 -2.26 -0.27 2.71 8.25 -1.26 -3.01 115.22 124.11 3ipw n HIS 22 Ca -0.12 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.24 3ipw n HIS 22 Cb 0.45 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.60 3ipw n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ipw n GLY 23 N -1.68 0.66 3.25 -1.41 0.00 -1.26 -5.07 105.19 99.68 3ipw n GLY 23 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3ipw n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ipw s LYS 24 N -0.73 2.43 -0.43 1.61 0.00 -1.17 -5.11 119.74 116.34 3ipw s LYS 24 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 55.97 54.84 3ipw s LYS 24 Cb 0.00 -2.08 0.02 0.00 0.00 0.00 0.00 37.83 35.78 3ipw s LYS 24 CO 0.00 0.37 0.96 -1.58 0.00 0.00 0.00 175.35 175.10 3ipw s HIS 25 N -0.15 2.96 -0.20 1.78 2.46 -1.26 -1.70 115.29 119.17 3ipw s HIS 25 Ca -0.03 0.58 0.17 0.00 0.47 0.00 0.00 55.06 56.25 3ipw s HIS 25 Cb -0.13 -3.95 -0.25 0.00 -0.13 0.00 0.00 32.58 28.12 3ipw s HIS 25 CO 0.03 -1.04 0.07 0.66 -2.47 0.00 0.00 174.74 172.00 3ipw n TYR 26 N 7.16 0.03 -3.63 3.88 4.02 0.16 -5.00 117.16 123.77 3ipw n TYR 26 Ca 0.08 0.01 -0.10 0.00 -0.01 0.00 0.00 57.90 57.88 3ipw n TYR 26 Cb 0.48 -1.00 -0.02 0.00 -0.02 0.00 0.00 39.34 38.78 3ipw n TYR 26 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 3ipw s HIS 27 N -2.49 -0.34 0.47 -0.72 -3.43 -1.21 -5.00 115.29 102.57 3ipw s HIS 27 Ca -0.11 0.02 -0.24 0.00 -0.80 0.00 0.00 55.06 53.93 3ipw s HIS 27 Cb 0.06 0.57 -0.07 0.00 -1.43 0.00 0.00 32.58 31.71 3ipw s HIS 27 CO 0.82 -0.99 1.35 -1.83 -2.00 0.00 0.00 174.74 172.09 3ipw s GLU 28 N -3.83 3.59 -0.39 -0.38 1.03 -1.26 -3.98 118.70 113.48 3ipw s GLU 28 Ca 0.06 2.23 -0.42 0.00 0.03 0.00 0.00 54.97 56.87 3ipw s GLU 28 Cb -0.03 -2.53 -0.17 0.00 -0.80 0.00 0.00 34.13 30.61 3ipw s GLU 28 CO -0.04 -0.83 1.86 -1.91 -1.33 0.00 0.00 175.26 173.01 3ipw n GLU 29 N -0.41 0.62 -0.58 -4.83 2.13 -1.26 -4.47 120.64 111.84 3ipw n GLU 29 Ca 0.07 0.21 0.06 0.00 0.66 0.00 0.00 57.16 58.16 3ipw n GLU 29 Cb 0.44 -1.89 0.19 0.00 0.27 0.00 0.00 31.44 30.46 3ipw n GLU 29 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3ipw n ASP 30 N 6.15 1.74 -0.11 4.31 5.75 -0.75 -4.69 116.55 128.94 3ipw n ASP 30 Ca 0.36 -3.73 0.18 0.00 -0.01 0.00 0.00 54.79 51.59 3ipw n ASP 30 Cb 0.06 -0.51 0.58 0.00 -1.03 0.00 0.00 41.12 40.23 3ipw n ASP 30 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3ipw h ILE 31 N 1.20 0.75 -0.15 2.12 2.04 -1.89 -1.65 117.51 119.93 3ipw h ILE 31 Ca -0.01 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.80 3ipw h ILE 31 Cb 1.04 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3ipw h ILE 31 CO 0.00 0.04 -0.04 -2.24 0.00 0.00 0.00 178.15 175.91 3ipw h ASP 32 N 0.25 -0.16 0.47 1.72 2.03 -1.94 0.14 116.42 118.92 3ipw h ASP 32 Ca 0.34 0.05 -0.17 0.00 -0.73 0.00 0.00 57.03 56.51 3ipw h ASP 32 Cb 0.98 0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.57 3ipw h ASP 32 CO -0.07 -0.06 -0.74 1.62 -1.03 0.00 0.00 179.24 178.95 3ipw h VAL 33 N -0.01 1.44 -0.54 4.15 3.04 -1.70 -0.38 116.25 122.25 3ipw h VAL 33 Ca 0.07 -2.30 0.03 0.00 -1.01 0.00 0.00 66.70 63.49 3ipw h VAL 33 Cb 0.12 2.23 -0.04 0.00 -2.01 0.00 0.00 31.29 31.60 3ipw h VAL 33 CO -0.16 0.67 0.32 0.58 -1.01 0.00 0.00 177.57 177.97 3ipw h VAL 34 N 0.15 1.05 -0.53 1.51 2.07 -1.03 -0.29 116.25 119.18 3ipw h VAL 34 Ca -0.03 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3ipw h VAL 34 Cb 1.31 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3ipw h VAL 34 CO 0.11 0.11 -0.01 -0.07 0.02 0.00 0.00 177.57 177.74 3ipw h LEU 35 N 0.63 0.94 -0.46 2.57 3.38 -0.42 -0.52 115.31 121.42 3ipw h LEU 35 Ca 0.22 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3ipw h LEU 35 Cb 0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3ipw h LEU 35 CO -0.10 1.02 0.26 1.56 0.09 0.00 0.00 178.44 181.27 3ipw h GLN 36 N 0.83 0.50 -0.59 1.13 4.20 -0.69 0.19 115.11 120.67 3ipw h GLN 36 Ca 0.15 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.76 3ipw h GLN 36 Cb 0.55 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3ipw h GLN 36 CO 0.03 0.33 0.09 0.00 -0.67 0.00 0.00 178.83 178.61 3ipw h ARG 37 N 0.51 0.97 -0.40 1.46 3.08 -0.90 -0.34 114.38 118.76 3ipw h ARG 37 Ca 0.19 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3ipw h ARG 37 Cb 0.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ipw h ARG 37 CO -0.11 0.90 0.26 0.00 -1.07 0.00 0.00 179.97 179.95 3ipw h ALA 38 N 1.18 0.50 -0.61 0.04 0.00 -0.43 -2.38 119.26 117.57 3ipw h ALA 38 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ipw h ALA 38 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3ipw h ALA 38 CO 0.01 -0.04 0.38 0.93 0.00 0.00 0.00 179.25 180.54 3ipw h GLU 39 N 0.53 0.82 0.00 0.00 5.08 -0.22 -1.80 114.58 119.00 3ipw h GLU 39 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ipw h GLU 39 Cb -0.06 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3ipw h GLU 39 CO -0.03 0.57 0.00 0.00 -1.00 0.00 0.00 179.01 178.55 3ipw h ARG 40 N 0.83 0.00 -0.41 2.33 3.08 -0.80 -0.89 114.38 118.52 3ipw h ARG 40 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3ipw h ARG 40 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3ipw h ARG 40 CO -0.04 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.95 3ipw n ASN 41 N -2.99 4.28 -0.14 7.04 3.02 -0.87 -4.99 115.26 120.60 3ipw n ASN 41 Ca -0.03 -2.75 -0.02 0.00 -0.03 0.00 0.00 54.58 51.76 3ipw n ASN 41 Cb 0.08 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.71 3ipw n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ipw n GLY 42 N 0.17 0.54 3.69 7.41 0.00 -0.34 -4.78 105.19 111.88 3ipw n GLY 42 Ca 0.22 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3ipw n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipw s LEU 43 N -0.43 4.32 -0.06 0.99 1.02 -0.73 0.24 118.68 124.03 3ipw s LEU 43 Ca 0.00 2.06 0.13 0.00 0.02 0.00 0.00 54.13 56.34 3ipw s LEU 43 Cb 0.00 -3.56 -0.20 0.00 0.02 0.00 0.00 46.19 42.45 3ipw s LEU 43 CO 0.00 -0.67 0.21 -1.54 0.02 0.00 0.00 176.35 174.37 3ipw n SER 44 N 5.14 1.79 -3.83 2.29 3.41 -0.08 -4.50 113.62 117.84 3ipw n SER 44 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3ipw n SER 44 Cb 0.44 1.33 -0.12 0.00 -0.26 0.00 0.00 64.21 65.60 3ipw n SER 44 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ipw s HIS 45 N -2.72 -0.14 -0.10 7.33 3.76 -1.23 -1.06 115.29 121.11 3ipw s HIS 45 Ca -0.06 0.35 -0.00 0.00 -0.15 0.00 0.00 55.06 55.20 3ipw s HIS 45 Cb 0.07 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.83 3ipw s HIS 45 CO 0.56 -0.09 -0.07 0.42 -0.85 0.00 0.00 174.74 174.71 3ipw s ILE 46 N -0.03 0.98 -0.47 0.60 1.01 -0.44 -2.05 121.20 120.80 3ipw s ILE 46 Ca -0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.13 3ipw s ILE 46 Cb -0.02 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.49 3ipw s ILE 46 CO 0.00 0.36 0.82 -0.63 0.00 0.00 0.00 174.94 175.49 3ipw s ILE 47 N 1.61 4.59 -0.36 2.92 1.01 0.02 -2.18 121.20 128.82 3ipw s ILE 47 Ca 0.03 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 3ipw s ILE 47 Cb -0.13 -4.37 0.01 0.00 0.01 0.00 0.00 42.46 37.98 3ipw s ILE 47 CO -0.07 -0.81 1.30 -0.63 0.00 0.00 0.00 174.94 174.73 3ipw s ILE 48 N 3.43 4.10 0.24 2.92 1.01 0.15 -1.29 121.20 131.77 3ipw s ILE 48 Ca 0.30 1.20 -0.30 0.00 0.00 0.00 0.00 60.65 61.85 3ipw s ILE 48 Cb -0.12 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 3ipw s ILE 48 CO 0.22 -0.63 1.34 -0.89 0.00 0.00 0.00 174.94 174.97 3ipw s THR 49 N 4.66 2.96 -0.02 2.92 2.01 -0.48 -3.46 115.64 124.23 3ipw s THR 49 Ca 0.56 0.84 0.04 0.00 0.31 0.00 0.00 61.69 63.44 3ipw s THR 49 Cb -0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 3ipw s THR 49 CO 0.27 0.15 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.66 3ipw s SER 50 N 0.11 1.66 -0.02 3.53 0.15 -1.26 -4.78 113.70 113.09 3ipw s SER 50 Ca 0.55 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.97 3ipw s SER 50 Cb -0.38 -0.32 0.05 0.00 -1.71 0.00 0.00 66.02 63.65 3ipw s SER 50 CO 0.43 0.14 0.86 0.61 1.20 0.00 0.00 173.24 176.48 3ipw n GLY 51 N 2.98 0.71 3.88 9.45 0.00 -1.26 -1.41 105.19 119.54 3ipw n GLY 51 Ca -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 3ipw n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipw h LEU 53 N 2.00 0.09 -0.41 0.00 5.85 -1.96 -0.72 115.31 120.15 3ipw h LEU 53 Ca -0.26 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3ipw h LEU 53 Cb 1.21 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3ipw h LEU 53 CO 0.33 0.09 0.21 0.78 -0.34 0.00 0.00 178.44 179.51 3ipw h ASN 54 N 0.21 0.32 -0.45 1.25 4.21 -2.00 -0.75 115.58 118.38 3ipw h ASN 54 Ca 0.12 0.02 0.03 0.00 1.21 0.00 0.00 56.30 57.68 3ipw h ASN 54 Cb 0.10 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 3ipw h ASN 54 CO -0.14 0.23 0.24 0.44 -1.29 0.00 0.00 177.43 176.92 3ipw h ASP 55 N 0.43 0.36 -0.52 5.81 5.19 -1.91 -1.37 116.42 124.42 3ipw h ASP 55 Ca 0.17 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.57 3ipw h ASP 55 Cb 0.07 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3ipw h ASP 55 CO -0.11 0.26 0.21 0.15 -3.12 0.00 0.00 179.24 176.63 3ipw h PHE 56 N 0.48 0.78 0.02 4.55 3.57 -0.64 0.22 116.94 125.91 3ipw h PHE 56 Ca 0.19 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ipw h PHE 56 Cb 0.07 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3ipw h PHE 56 CO -0.09 0.64 -0.10 0.87 -2.23 0.00 0.00 178.31 177.40 3ipw h LYS 57 N 0.69 -0.18 -0.50 1.11 1.57 -0.97 -0.74 116.57 117.56 3ipw h LYS 57 Ca 0.17 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 3ipw h LYS 57 Cb 0.18 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 3ipw h LYS 57 CO -0.02 -0.12 0.05 0.87 -0.57 0.00 0.00 179.45 179.67 3ipw h LYS 58 N -0.19 0.17 -0.39 3.15 1.57 -1.06 -0.50 116.57 119.33 3ipw h LYS 58 Ca 0.03 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3ipw h LYS 58 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3ipw h LYS 58 CO -0.09 0.11 0.24 0.00 -0.57 0.00 0.00 179.45 179.14 3ipw h ALA 59 N 1.42 0.49 -0.93 3.86 0.00 -0.23 -0.63 119.26 123.23 3ipw h ALA 59 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ipw h ALA 59 Cb 0.37 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3ipw h ALA 59 CO -0.37 -0.03 0.58 0.82 0.00 0.00 0.00 179.25 180.25 3ipw h ILE 60 N 0.51 1.25 -0.55 0.00 1.08 -0.90 -1.53 117.51 117.38 3ipw h ILE 60 Ca 0.14 -0.52 -0.07 0.00 -0.39 0.00 0.00 64.86 64.01 3ipw h ILE 60 Cb -0.02 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.63 3ipw h ILE 60 CO -0.03 0.26 0.07 -0.33 -0.69 0.00 0.00 178.15 177.43 3ipw h GLU 61 N 1.28 0.93 -0.38 2.37 5.08 -0.52 -0.58 114.58 122.76 3ipw h GLU 61 Ca 0.34 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ipw h GLU 61 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 3ipw h GLU 61 CO -0.07 0.91 0.23 0.82 -1.00 0.00 0.00 179.01 179.90 3ipw h ILE 62 N 0.82 1.13 -0.06 3.13 2.04 -0.81 -0.53 117.51 123.23 3ipw h ILE 62 Ca 0.16 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3ipw h ILE 62 Cb 0.45 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3ipw h ILE 62 CO 0.02 0.13 0.02 0.40 0.00 0.00 0.00 178.15 178.72 3ipw h ILE 63 N 0.50 1.14 -0.91 -0.67 2.04 -1.11 0.15 117.51 118.65 3ipw h ILE 63 Ca 0.14 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3ipw h ILE 63 Cb 0.01 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3ipw h ILE 63 CO -0.02 0.12 0.59 0.78 0.00 0.00 0.00 178.15 179.61 3ipw h ASN 64 N -0.07 0.89 0.18 1.72 2.35 -1.01 -0.94 115.58 118.70 3ipw h ASN 64 Ca 0.02 0.01 -0.30 0.00 -0.55 0.00 0.00 56.30 55.48 3ipw h ASN 64 Cb 0.17 -0.18 0.03 0.00 0.05 0.00 0.00 38.32 38.39 3ipw h ASN 64 CO -0.00 0.56 -1.27 0.50 -1.65 0.00 0.00 177.43 175.56 3ipw h LYS 65 N 1.00 0.54 0.00 0.81 3.64 -0.82 -3.40 116.57 118.35 3ipw h LYS 65 Ca 0.40 -0.83 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3ipw h LYS 65 Cb 0.25 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3ipw h LYS 65 CO -0.16 1.38 -1.55 0.66 -2.27 0.00 0.00 179.45 177.52 3ipw n TYR 66 N -3.82 0.00 -0.14 1.91 4.01 0.51 -4.54 117.16 115.09 3ipw n TYR 66 Ca -0.15 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.67 3ipw n TYR 66 Cb 1.01 -0.30 0.40 0.00 -0.31 0.00 0.00 39.34 40.14 3ipw n TYR 66 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3ipw h GLN 67 N 0.00 0.61 0.00 -0.72 5.75 -1.34 0.11 115.11 119.52 3ipw h GLN 67 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3ipw h GLN 67 Cb 0.73 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.14 3ipw h GLN 67 CO 0.00 0.41 0.00 0.09 -2.65 0.00 0.00 178.83 176.68 3ipw n ASN 68 N -4.48 0.00 -0.62 -0.69 3.02 -1.26 -3.05 115.26 108.17 3ipw n ASN 68 Ca 0.10 -0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.67 3ipw n ASN 68 Cb 0.26 -0.30 0.15 0.00 -0.61 0.00 0.00 39.78 39.28 3ipw n ASN 68 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ipw n LEU 69 N -1.30 2.95 -3.76 3.41 4.77 0.36 -5.00 117.00 118.43 3ipw n LEU 69 Ca 0.12 -2.08 -0.13 0.00 -0.03 0.00 0.00 56.01 53.88 3ipw n LEU 69 Cb 0.21 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.95 3ipw n LEU 69 CO 0.19 0.71 0.02 0.28 -1.33 0.00 0.00 177.39 177.27 3ipw s THR 70 N -1.15 0.02 -0.67 -5.08 -1.32 -1.11 -4.99 115.64 101.35 3ipw s THR 70 Ca 0.23 -0.16 0.23 0.00 -1.21 0.00 0.00 61.69 60.79 3ipw s THR 70 Cb 0.13 -0.53 0.24 0.00 -1.51 0.00 0.00 72.50 70.83 3ipw s THR 70 CO 0.14 -0.09 1.71 0.59 -2.21 0.00 0.00 174.62 174.77 3ipw n ASN 71 N 2.34 0.55 -4.71 8.08 4.13 -1.26 -4.81 115.26 119.58 3ipw n ASN 71 Ca -0.16 0.60 -0.42 0.00 1.68 0.00 0.00 54.58 56.28 3ipw n ASN 71 Cb 0.57 -0.73 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 3ipw n ASN 71 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3ipw s ILE 72 N -3.18 4.31 -0.11 2.41 1.01 -1.26 -4.97 121.20 119.42 3ipw s ILE 72 Ca 0.07 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.08 3ipw s ILE 72 Cb 0.11 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3ipw s ILE 72 CO 0.44 0.10 1.47 -0.75 0.00 0.00 0.00 174.94 176.20 3ipw s LYS 73 N 1.28 4.21 -0.20 2.79 2.47 -0.23 -4.90 119.74 125.15 3ipw s LYS 73 Ca 0.56 1.94 -0.06 0.00 -1.56 0.00 0.00 55.97 56.85 3ipw s LYS 73 Cb -0.26 -3.88 -0.03 0.00 -1.46 0.00 0.00 37.83 32.20 3ipw s LYS 73 CO 0.27 -0.78 0.03 -0.51 0.16 0.00 0.00 175.35 174.52 3ipw s LEU 74 N 3.77 3.46 0.26 5.43 1.43 -1.26 -1.33 118.68 130.44 3ipw s LEU 74 Ca 0.64 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3ipw s LEU 74 Cb -0.28 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3ipw s LEU 74 CO 0.22 0.09 0.23 0.68 0.23 0.00 0.00 176.35 177.81 3ipw s VAL 75 N 0.85 0.00 0.03 -1.59 -7.23 -0.93 -4.97 120.40 106.57 3ipw s VAL 75 Ca 0.02 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3ipw s VAL 75 Cb -0.14 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 3ipw s VAL 75 CO 0.02 0.00 0.03 1.07 -0.31 0.00 0.00 175.10 175.91 3ipw n THR 76 N -0.42 0.00 -4.33 5.32 5.66 0.50 0.34 114.28 121.35 3ipw n THR 76 Ca 0.04 -0.20 -0.20 0.00 -3.05 0.00 0.00 64.05 60.65 3ipw n THR 76 Cb 0.64 0.10 -0.11 0.00 -1.55 0.00 0.00 70.33 69.42 3ipw n THR 76 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ipw s THR 77 N -2.24 1.73 -0.17 1.09 -4.23 -1.22 -1.70 115.64 108.89 3ipw s THR 77 Ca 0.03 -2.06 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 3ipw s THR 77 Cb 0.00 -1.92 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 3ipw s THR 77 CO 0.02 -0.48 -0.12 -0.51 -0.54 0.00 0.00 174.62 172.99 3ipw s ILE 78 N -2.56 2.89 0.00 2.99 1.10 0.17 -4.51 121.20 121.27 3ipw s ILE 78 Ca 0.19 -0.68 0.00 0.00 -0.51 0.00 0.00 60.65 59.64 3ipw s ILE 78 Cb -0.03 -2.25 0.00 0.00 0.15 0.00 0.00 42.46 40.33 3ipw s ILE 78 CO 0.06 0.49 0.00 0.61 -2.11 0.00 0.00 174.94 174.00 3ipw n GLY 79 N 4.24 0.14 3.10 1.50 0.00 -0.92 -0.32 105.19 112.93 3ipw n GLY 79 Ca -0.19 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 3ipw n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipw s VAL 80 N -2.00 1.79 0.36 1.61 1.01 -1.26 -3.35 120.40 118.57 3ipw s VAL 80 Ca 0.00 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 3ipw s VAL 80 Cb 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 36.38 34.64 3ipw s VAL 80 CO 0.00 0.50 1.05 1.57 0.00 0.00 0.00 175.10 178.22 3ipw n HIS 81 N 4.33 1.38 -0.23 5.22 -0.00 0.37 -4.52 115.22 121.76 3ipw n HIS 81 Ca -0.19 0.61 0.20 0.00 0.46 0.00 0.00 57.72 58.79 3ipw n HIS 81 Cb 0.51 -2.27 0.53 0.00 -0.12 0.00 0.00 29.99 28.64 3ipw n HIS 81 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3ipw h PRO 82 N 1.86 0.36 0.00 1.57 0.13 -1.79 -0.31 132.00 133.82 3ipw h PRO 82 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ipw h PRO 82 Cb 1.33 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3ipw h PRO 82 CO 0.59 0.24 0.00 0.25 -0.23 0.00 0.00 178.00 178.85 3ipw n THR 83 N -4.49 0.75 -0.29 1.56 -2.24 -1.26 -2.77 114.28 105.54 3ipw n THR 83 Ca 0.19 0.05 0.06 0.00 -2.27 0.00 0.00 64.05 62.08 3ipw n THR 83 Cb 0.71 -0.98 0.16 0.00 -2.10 0.00 0.00 70.33 68.12 3ipw n THR 83 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ipw n ARG 84 N -2.29 2.88 0.32 -0.78 5.12 -0.15 -3.82 116.66 117.94 3ipw n ARG 84 Ca 0.03 -2.14 0.20 0.00 -1.93 0.00 0.00 57.85 54.01 3ipw n ARG 84 Cb 0.30 -1.34 1.07 0.00 -1.16 0.00 0.00 32.46 31.33 3ipw n ARG 84 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3ipw h THR 85 N 1.89 0.12 -0.74 0.55 1.35 -1.30 -1.52 112.91 113.26 3ipw h THR 85 Ca 0.00 -0.11 0.13 0.00 -0.55 0.00 0.00 66.41 65.87 3ipw h THR 85 Cb 0.83 1.10 -0.05 0.00 -1.73 0.00 0.00 68.15 68.29 3ipw h THR 85 CO 0.03 0.01 0.49 -0.55 -0.25 0.00 0.00 175.52 175.25 3ipw h ASN 86 N 0.00 0.47 0.04 5.36 -1.07 -1.82 -1.49 115.58 117.07 3ipw h ASN 86 Ca -0.00 0.02 -0.00 0.00 0.07 0.00 0.00 56.30 56.39 3ipw h ASN 86 Cb 0.10 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 36.27 3ipw h ASN 86 CO 0.00 0.26 -0.01 -0.33 0.07 0.00 0.00 177.43 177.43 3ipw h GLU 87 N 0.51 0.00 0.00 4.14 5.08 -1.64 -2.21 114.58 120.46 3ipw h GLU 87 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3ipw h GLU 87 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3ipw h GLU 87 CO -0.12 0.01 0.00 1.28 -1.00 0.00 0.00 179.01 179.17 3ipw n LEU 88 N -3.42 0.53 0.17 1.33 4.77 -0.56 -2.64 117.00 117.18 3ipw n LEU 88 Ca -0.03 0.69 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 3ipw n LEU 88 Cb 0.09 -0.69 0.17 0.00 -2.33 0.00 0.00 43.42 40.65 3ipw n LEU 88 CO 0.24 -0.73 0.60 0.11 -1.33 0.00 0.00 177.39 176.28 3ipw h LYS 89 N 0.00 0.00 -6.40 3.23 1.57 -1.59 -3.45 116.57 109.93 3ipw h LYS 89 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3ipw h LYS 89 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ipw h LYS 89 CO 0.00 0.37 0.95 -0.65 -0.57 0.00 0.00 179.45 179.55 3ipw s GLN 90 N -3.20 4.22 0.35 3.15 -0.21 -1.08 -4.94 119.66 117.95 3ipw s GLN 90 Ca 0.03 2.19 -0.29 0.00 0.02 0.00 0.00 55.36 57.32 3ipw s GLN 90 Cb 0.08 -3.63 -0.11 0.00 1.00 0.00 0.00 33.01 30.35 3ipw s GLN 90 CO 0.71 -0.69 1.51 -0.85 -2.12 0.00 0.00 175.29 173.85 3ipw n GLU 91 N 5.69 2.66 0.00 2.91 -0.00 -1.26 -2.21 120.64 128.43 3ipw n GLU 91 Ca 0.15 0.94 0.00 0.00 -0.00 0.00 0.00 57.16 58.25 3ipw n GLU 91 Cb 0.42 -2.68 0.00 0.00 -0.00 0.00 0.00 31.44 29.18 3ipw n GLU 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ipw n GLY 92 N 0.96 2.95 0.40 -1.84 0.00 -1.26 -4.92 105.19 101.48 3ipw n GLY 92 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3ipw n GLY 92 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ipw h TYR 93 N 0.00 -1.08 -0.59 1.61 3.20 -1.78 -0.96 116.97 117.38 3ipw h TYR 93 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ipw h TYR 93 Cb 0.00 0.45 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3ipw h TYR 93 CO 0.00 -0.51 0.36 1.25 -1.64 0.00 0.00 178.16 177.62 3ipw h LEU 94 N -0.68 0.70 -0.64 2.82 5.85 -1.86 -1.59 115.31 119.91 3ipw h LEU 94 Ca 0.01 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3ipw h LEU 94 Cb 0.67 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3ipw h LEU 94 CO -0.18 0.54 0.40 0.44 -0.34 0.00 0.00 178.44 179.31 3ipw h ASP 95 N 0.79 0.67 -0.48 1.25 3.32 -1.93 0.43 116.42 120.48 3ipw h ASP 95 Ca 0.21 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 3ipw h ASP 95 Cb -0.03 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3ipw h ASP 95 CO -0.04 0.47 0.12 -0.08 -1.72 0.00 0.00 179.24 177.99 3ipw h GLU 96 N 0.80 0.76 -0.29 3.56 4.81 -0.81 -0.51 114.58 122.91 3ipw h GLU 96 Ca 0.25 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3ipw h GLU 96 Cb -0.01 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3ipw h GLU 96 CO -0.09 0.74 0.12 1.25 -0.73 0.00 0.00 179.01 180.30 3ipw h LEU 97 N 0.65 0.15 -1.06 1.64 5.85 -0.99 -1.54 115.31 120.01 3ipw h LEU 97 Ca 0.15 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3ipw h LEU 97 Cb 0.32 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3ipw h LEU 97 CO 0.00 0.12 0.21 -0.07 -0.34 0.00 0.00 178.44 178.37 3ipw h LEU 98 N 0.26 0.81 -0.28 2.25 3.38 -0.60 -1.27 115.31 119.86 3ipw h LEU 98 Ca 0.12 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3ipw h LEU 98 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ipw h LEU 98 CO -0.11 0.75 -0.21 0.25 0.09 0.00 0.00 178.44 179.21 3ipw h LEU 99 N 0.86 0.66 -1.00 1.67 5.85 -0.87 -1.49 115.31 121.00 3ipw h LEU 99 Ca 0.20 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3ipw h LEU 99 Cb 0.21 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3ipw h LEU 99 CO -0.01 0.97 0.59 -0.07 -0.34 0.00 0.00 178.44 179.58 3ipw h LEU 100 N 0.36 1.12 -0.02 2.25 3.38 -1.07 -1.26 115.31 120.07 3ipw h LEU 100 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ipw h LEU 100 Cb 0.76 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ipw h LEU 100 CO 0.06 0.84 0.01 0.00 0.09 0.00 0.00 178.44 179.44 3ipw h GLU 102 N -0.05 0.69 0.00 0.00 9.09 -0.90 0.32 114.58 123.74 3ipw h GLU 102 Ca 0.01 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.37 3ipw h GLU 102 Cb 0.08 -0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 27.02 3ipw h GLU 102 CO -0.00 0.45 -0.01 0.87 0.05 0.00 0.00 179.01 180.37 3ipw h LYS 103 N 0.71 0.00 0.00 1.06 1.57 -1.17 -3.07 116.57 115.67 3ipw h LYS 103 Ca 0.21 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3ipw h LYS 103 Cb -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 3ipw h LYS 103 CO -0.07 0.01 -0.35 0.09 -0.57 0.00 0.00 179.45 178.56 3ipw n ASN 104 N -3.12 1.49 0.02 0.86 3.02 -0.67 -4.85 115.26 111.99 3ipw n ASN 104 Ca -0.01 -2.87 0.16 0.00 -0.03 0.00 0.00 54.58 51.82 3ipw n ASN 104 Cb 0.19 -0.38 0.63 0.00 -0.61 0.00 0.00 39.78 39.61 3ipw n ASN 104 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3ipw h ILE 105 N 2.74 0.82 0.00 2.41 6.09 -0.30 0.67 117.51 129.95 3ipw h ILE 105 Ca -0.03 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 3ipw h ILE 105 Cb 1.20 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.19 3ipw h ILE 105 CO 0.01 0.02 0.00 -0.90 -3.07 0.00 0.00 178.15 174.21 3ipw n ASP 106 N -4.43 0.53 -0.63 2.19 5.75 -1.26 -1.98 116.55 116.71 3ipw n ASP 106 Ca 0.08 0.61 0.13 0.00 -0.01 0.00 0.00 54.79 55.60 3ipw n ASP 106 Cb 0.45 -0.73 0.28 0.00 -1.03 0.00 0.00 41.12 40.09 3ipw n ASP 106 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ipw n LYS 107 N -2.07 1.75 -3.98 0.11 5.02 0.23 -4.94 118.16 114.29 3ipw n LYS 107 Ca 0.03 -1.27 -0.35 0.00 -2.02 0.00 0.00 58.31 54.70 3ipw n LYS 107 Cb 0.25 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 3ipw n LYS 107 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ipw s VAL 108 N -2.12 3.88 -0.15 -0.18 1.01 -0.84 -0.37 120.40 121.63 3ipw s VAL 108 Ca 0.30 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3ipw s VAL 108 Cb 0.20 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3ipw s VAL 108 CO 0.37 0.41 0.40 1.33 0.00 0.00 0.00 175.10 177.62 3ipw n VAL 109 N 4.51 0.00 -3.63 2.92 0.24 -0.69 -4.96 118.33 116.72 3ipw n VAL 109 Ca -0.17 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.50 3ipw n VAL 109 Cb 0.51 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 3ipw n VAL 109 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ipw s ALA 110 N -0.43 -1.21 -0.35 2.33 0.00 -1.25 -4.33 121.76 116.52 3ipw s ALA 110 Ca 0.01 0.59 -0.24 0.00 0.00 0.00 0.00 51.96 52.32 3ipw s ALA 110 Cb 0.01 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.39 3ipw s ALA 110 CO 0.03 -0.42 0.82 0.42 0.00 0.00 0.00 175.76 176.61 3ipw s ILE 111 N -2.04 4.71 0.00 0.00 1.01 -0.50 -0.66 121.20 123.71 3ipw s ILE 111 Ca -0.08 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.61 3ipw s ILE 111 Cb -0.01 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.23 3ipw s ILE 111 CO 0.01 -0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.14 3ipw n GLY 112 N 4.41 0.27 3.64 6.18 0.00 0.56 -0.98 105.19 119.27 3ipw n GLY 112 Ca 0.04 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 3ipw n GLY 112 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ipw s GLU 113 N -2.00 4.10 0.19 1.61 2.12 -0.50 -2.17 118.70 122.06 3ipw s GLU 113 Ca 0.00 1.24 0.08 0.00 0.36 0.00 0.00 54.97 56.65 3ipw s GLU 113 Cb 0.00 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 3ipw s GLU 113 CO 0.00 -0.86 -0.16 0.96 -0.54 0.00 0.00 175.26 174.67 3ipw s ILE 114 N 3.66 1.78 -2.25 -3.70 -4.36 -1.01 -2.44 121.20 112.89 3ipw s ILE 114 Ca 0.48 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 3ipw s ILE 114 Cb -0.15 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.58 3ipw s ILE 114 CO 0.15 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.43 3ipw n GLY 115 N -0.18 -0.12 2.97 6.27 0.00 -1.26 0.43 105.19 113.30 3ipw n GLY 115 Ca -0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 3ipw n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ipw s LEU 116 N 0.00 1.62 -0.28 0.99 1.43 -0.91 -4.36 118.68 117.17 3ipw s LEU 116 Ca 0.00 0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3ipw s LEU 116 Cb 0.00 0.33 0.09 0.00 0.03 0.00 0.00 46.19 46.64 3ipw s LEU 116 CO 0.00 -0.04 0.08 -0.62 0.23 0.00 0.00 176.35 176.00 3ipw s ASP 117 N 0.06 3.72 0.00 2.29 -1.08 -1.26 -2.28 116.67 118.12 3ipw s ASP 117 Ca -0.00 -1.39 0.18 0.00 -0.52 0.00 0.00 52.55 50.82 3ipw s ASP 117 Cb -0.01 -0.77 0.57 0.00 -1.46 0.00 0.00 42.92 41.24 3ipw s ASP 117 CO 0.00 -0.38 1.44 -1.22 0.52 0.00 0.00 175.17 175.53 3ipw n TYR 118 N 4.92 0.37 0.94 -5.34 4.01 -0.23 -2.81 117.16 119.02 3ipw n TYR 118 Ca -0.05 -0.18 0.11 0.00 -0.16 0.00 0.00 57.90 57.62 3ipw n TYR 118 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 3ipw n TYR 118 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3ipw n GLU 119 N 0.58 0.04 -3.71 -0.72 1.02 -1.26 -4.77 120.64 111.82 3ipw n GLU 119 Ca 0.15 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.00 3ipw n GLU 119 Cb 0.36 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3ipw n GLU 119 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ipw s ARG 120 N -3.03 1.43 0.00 3.49 0.52 -1.12 -4.92 118.95 115.32 3ipw s ARG 120 Ca 0.08 -2.22 0.05 0.00 -0.52 0.00 0.00 55.73 53.13 3ipw s ARG 120 Cb 0.16 -2.43 0.11 0.00 0.52 0.00 0.00 34.95 33.32 3ipw s ARG 120 CO 0.80 -1.20 0.98 1.28 0.02 0.00 0.00 175.30 177.18 3ipw n LEU 121 N 3.25 2.13 -0.03 2.53 4.77 -1.26 -4.65 117.00 123.74 3ipw n LEU 121 Ca 0.12 -1.68 -0.13 0.00 -0.03 0.00 0.00 56.01 54.28 3ipw n LEU 121 Cb 0.36 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 3ipw n LEU 121 CO 0.23 0.52 0.61 -0.61 -1.33 0.00 0.00 177.39 176.81 3ipw h GLN 122 N 1.00 0.15 0.09 3.23 4.15 -1.96 -3.21 115.11 118.56 3ipw h GLN 122 Ca 0.00 -0.08 -0.32 0.00 0.77 0.00 0.00 58.65 59.01 3ipw h GLN 122 Cb 0.49 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 3ipw h GLN 122 CO 0.00 0.62 -1.74 0.74 -1.93 0.00 0.00 178.83 176.52 3ipw h PHE 123 N -0.31 0.36 -3.75 3.99 0.04 -1.85 -3.42 116.94 112.00 3ipw h PHE 123 Ca 0.01 -0.26 -0.65 0.00 2.80 0.00 0.00 57.97 59.87 3ipw h PHE 123 Cb 0.60 -0.01 -0.38 0.00 2.20 0.00 0.00 35.95 38.36 3ipw h PHE 123 CO 0.10 1.68 -0.78 -1.12 -0.60 0.00 0.00 178.31 177.59 3ipw s SER 124 N -7.01 4.29 1.04 2.17 0.01 -1.25 -4.65 113.70 108.30 3ipw s SER 124 Ca -0.24 -1.43 -0.15 0.00 1.31 0.00 0.00 55.95 55.44 3ipw s SER 124 Cb 0.06 -1.43 0.21 0.00 0.21 0.00 0.00 66.02 65.07 3ipw s SER 124 CO 0.72 -0.23 1.13 1.51 0.41 0.00 0.00 173.24 176.78 3ipw s ASP 125 N 1.18 2.36 0.17 2.44 1.47 -1.21 -4.39 116.67 118.68 3ipw s ASP 125 Ca -0.05 0.86 -0.15 0.00 1.18 0.00 0.00 52.55 54.39 3ipw s ASP 125 Cb -0.19 -1.32 0.13 0.00 -0.34 0.00 0.00 42.92 41.19 3ipw s ASP 125 CO -0.06 -3.26 1.71 0.50 0.68 0.00 0.00 175.17 174.73 3ipw h LYS 126 N -1.99 0.14 -0.82 2.11 3.64 -1.94 -0.19 116.57 117.52 3ipw h LYS 126 Ca -0.50 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3ipw h LYS 126 Cb 1.31 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 3ipw h LYS 126 CO 0.50 0.09 0.53 0.93 -2.27 0.00 0.00 179.45 179.23 3ipw h GLU 127 N 0.15 1.01 -0.48 1.90 3.07 -1.99 -0.76 114.58 117.47 3ipw h GLU 127 Ca 0.21 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 3ipw h GLU 127 Cb 0.28 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3ipw h GLU 127 CO -0.32 0.67 0.14 1.15 -1.40 0.00 0.00 179.01 179.25 3ipw h THR 128 N 1.04 1.23 -0.59 1.13 2.02 -1.60 -1.00 112.91 115.14 3ipw h THR 128 Ca 0.32 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.78 3ipw h THR 128 Cb -0.02 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 3ipw h THR 128 CO -0.10 0.28 0.32 1.56 0.37 0.00 0.00 175.52 177.95 3ipw h GLN 129 N 0.65 0.59 -0.36 6.66 4.20 -0.77 0.12 115.11 126.20 3ipw h GLN 129 Ca 0.15 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 3ipw h GLN 129 Cb 0.28 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3ipw h GLN 129 CO -0.00 0.39 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.41 3ipw h LEU 130 N 0.61 0.68 -0.12 1.46 3.38 -0.96 -1.61 115.31 118.75 3ipw h LEU 130 Ca 0.26 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ipw h LEU 130 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3ipw h LEU 130 CO -0.16 0.88 0.05 -1.28 0.09 0.00 0.00 178.44 178.01 3ipw h SER 131 N 0.47 0.17 -0.97 -0.43 0.87 -1.03 -2.42 113.55 110.21 3ipw h SER 131 Ca 0.09 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.53 3ipw h SER 131 Cb 0.57 -0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 3ipw h SER 131 CO 0.03 0.30 0.63 1.23 -0.53 0.00 0.00 176.83 178.49 3ipw h GLY 132 N 0.03 1.46 0.96 5.77 0.00 -0.70 -0.99 103.07 109.61 3ipw h GLY 132 Ca 0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3ipw h GLY 132 CO -0.00 0.35 0.15 -1.82 0.00 0.00 0.00 176.54 175.22 3ipw h TYR 133 N 1.16 0.72 -0.53 5.60 3.20 -1.11 0.55 116.97 126.57 3ipw h TYR 133 Ca 0.41 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.23 3ipw h TYR 133 Cb 0.13 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3ipw h TYR 133 CO -0.01 0.64 0.34 0.00 -1.64 0.00 0.00 178.16 177.49 3ipw h ARG 134 N 0.60 0.67 -0.90 1.82 3.08 -1.03 -2.88 114.38 115.73 3ipw h ARG 134 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3ipw h ARG 134 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3ipw h ARG 134 CO -0.01 0.45 0.52 1.15 -1.07 0.00 0.00 179.97 181.01 3ipw h THR 135 N 0.69 1.25 0.00 2.04 2.02 -0.76 -2.34 112.91 115.81 3ipw h THR 135 Ca 0.20 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3ipw h THR 135 Cb -0.06 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 3ipw h THR 135 CO -0.06 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.29 3ipw n LEU 136 N -4.35 0.00 0.09 2.58 4.77 0.15 -2.94 117.00 117.30 3ipw n LEU 136 Ca 0.10 0.44 0.10 0.00 -0.03 0.00 0.00 56.01 56.62 3ipw n LEU 136 Cb 0.07 -0.44 0.42 0.00 -2.33 0.00 0.00 43.42 41.14 3ipw n LEU 136 CO 0.38 -0.29 0.79 -1.54 -1.33 0.00 0.00 177.39 175.40 3ipw n SER 137 N -1.44 0.42 -0.05 -1.43 3.41 -0.88 -1.86 113.62 111.79 3ipw n SER 137 Ca 0.03 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 3ipw n SER 137 Cb 0.11 -0.70 0.45 0.00 -0.26 0.00 0.00 64.21 63.80 3ipw n SER 137 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3ipw h ILE 138 N 0.00 1.01 -0.15 -1.33 6.09 -1.76 -1.67 117.51 119.71 3ipw h ILE 138 Ca 0.00 -0.18 -0.00 0.00 -1.37 0.00 0.00 64.86 63.31 3ipw h ILE 138 Cb 0.26 0.45 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3ipw h ILE 138 CO 0.00 0.09 0.07 -0.07 -3.07 0.00 0.00 178.15 175.18 3ipw h LEU 139 N 0.51 0.19 -1.43 2.19 3.38 -1.65 0.57 115.31 119.07 3ipw h LEU 139 Ca 0.22 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3ipw h LEU 139 Cb 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ipw h LEU 139 CO -0.06 0.24 -0.29 -0.74 0.09 0.00 0.00 178.44 177.69 3ipw h HIS 140 N 0.12 0.00 -0.33 1.13 2.76 -1.65 -0.26 115.15 116.92 3ipw h HIS 140 Ca 0.05 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.08 3ipw h HIS 140 Cb 0.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3ipw h HIS 140 CO -0.03 0.29 -0.33 1.96 -1.30 0.00 0.00 177.93 178.51 3ipw h GLN 141 N 0.00 0.81 0.02 5.26 7.50 -0.64 -2.61 115.11 125.46 3ipw h GLN 141 Ca -0.00 -0.43 -0.21 0.00 0.50 0.00 0.00 58.65 58.51 3ipw h GLN 141 Cb 0.51 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 3ipw h GLN 141 CO 0.04 1.06 -0.94 0.87 -1.50 0.00 0.00 178.83 178.36 3ipw h LYS 142 N 0.59 0.18 -2.08 1.46 1.57 -0.69 -3.39 116.57 114.21 3ipw h LYS 142 Ca 0.05 -0.22 -0.56 0.00 -1.87 0.00 0.00 60.65 58.05 3ipw h LYS 142 Cb 0.91 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 32.89 3ipw h LYS 142 CO 0.08 0.99 -0.93 0.66 -0.57 0.00 0.00 179.45 179.69 3ipw n TYR 143 N -3.61 1.31 0.31 -1.35 4.01 -0.13 -4.98 117.16 112.73 3ipw n TYR 143 Ca -0.04 -3.82 0.14 0.00 -0.16 0.00 0.00 57.90 54.02 3ipw n TYR 143 Cb 0.85 -0.44 0.62 0.00 -0.31 0.00 0.00 39.34 40.07 3ipw n TYR 143 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ipw h PRO 144 N 3.81 0.00 0.00 -0.72 0.13 -1.68 -1.95 132.00 131.59 3ipw h PRO 144 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3ipw h PRO 144 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 3ipw h PRO 144 CO 0.61 0.00 -0.04 0.10 -0.23 0.00 0.00 178.00 178.44 3ipw h TYR 145 N 0.00 0.00 -2.91 1.56 -0.00 -1.94 -3.47 116.97 110.22 3ipw h TYR 145 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.19 3ipw h TYR 145 Cb 0.26 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.99 3ipw h TYR 145 CO 0.00 0.04 0.82 -0.51 -0.00 0.00 0.00 178.16 178.51 3ipw s LEU 146 N -6.23 4.33 0.93 0.10 1.43 -0.73 -5.02 118.68 113.49 3ipw s LEU 146 Ca 0.06 2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 55.24 3ipw s LEU 146 Cb 0.06 -3.57 0.15 0.00 0.03 0.00 0.00 46.19 42.86 3ipw s LEU 146 CO 0.66 -0.72 1.13 -2.16 0.23 0.00 0.00 176.35 175.49 3ipw s PRO 147 N 2.13 1.01 0.05 1.29 0.04 -1.26 -4.70 135.00 133.56 3ipw s PRO 147 Ca 0.65 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3ipw s PRO 147 Cb -0.33 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 3ipw s PRO 147 CO 0.28 -2.30 0.18 -0.06 0.04 0.00 0.00 177.00 175.13 3ipw s PHE 148 N -3.20 3.45 -0.34 0.56 0.08 -0.30 -1.41 117.98 116.82 3ipw s PHE 148 Ca 0.64 0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.94 3ipw s PHE 148 Cb -0.16 -1.74 0.10 0.00 -0.57 0.00 0.00 43.02 40.65 3ipw s PHE 148 CO 0.54 0.58 0.09 0.12 -0.10 0.00 0.00 175.22 176.45 3ipw s PHE 149 N -1.45 2.87 -0.05 0.36 5.36 -0.15 -1.58 117.98 123.32 3ipw s PHE 149 Ca 0.32 -2.50 -0.07 0.00 -0.96 0.00 0.00 56.93 53.73 3ipw s PHE 149 Cb -0.13 -2.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 3ipw s PHE 149 CO 0.25 -0.91 0.21 -0.06 -1.46 0.00 0.00 175.22 173.25 3ipw s PHE 150 N 1.11 3.60 -0.15 10.12 0.08 -0.20 -2.41 117.98 130.12 3ipw s PHE 150 Ca 0.11 0.55 -0.04 0.00 0.12 0.00 0.00 56.93 57.67 3ipw s PHE 150 Cb -0.19 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 3ipw s PHE 150 CO -0.14 0.68 -0.02 -1.58 -0.10 0.00 0.00 175.22 174.06 3ipw s HIS 151 N -1.16 3.08 -0.14 0.36 5.65 0.17 -1.67 115.29 121.58 3ipw s HIS 151 Ca 0.21 -0.15 -0.04 0.00 0.25 0.00 0.00 55.06 55.33 3ipw s HIS 151 Cb -0.13 -1.94 0.06 0.00 -1.18 0.00 0.00 32.58 29.39 3ipw s HIS 151 CO 0.11 0.09 0.15 0.00 -0.65 0.00 0.00 174.74 174.43 3ipw s ARG 153 N 2.25 0.87 -1.38 0.00 1.81 -0.97 -4.87 118.95 116.67 3ipw s ARG 153 Ca 0.04 -0.30 -0.07 0.00 -1.72 0.00 0.00 55.73 53.68 3ipw s ARG 153 Cb -0.14 -1.76 0.04 0.00 -0.45 0.00 0.00 34.95 32.64 3ipw s ARG 153 CO -0.08 -0.48 0.51 1.63 -0.68 0.00 0.00 175.30 176.20 3ipw n LYS 154 N 5.03 -3.94 -0.05 3.54 4.76 -1.26 -1.06 118.16 125.17 3ipw n LYS 154 Ca -0.09 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 3ipw n LYS 154 Cb 0.48 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 28.25 3ipw n LYS 154 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3ipw n SER 155 N -2.36 0.00 -0.21 4.39 3.41 -1.26 -4.56 113.62 113.03 3ipw n SER 155 Ca -0.06 -1.08 -0.06 0.00 -0.26 0.00 0.00 58.87 57.41 3ipw n SER 155 Cb 0.58 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.55 3ipw n SER 155 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3ipw h TRP 156 N 0.00 0.76 -0.91 7.33 2.91 -1.93 -0.09 115.95 124.02 3ipw h TRP 156 Ca 0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3ipw h TRP 156 Cb 1.03 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 29.38 3ipw h TRP 156 CO -0.00 0.49 0.57 0.66 -1.03 0.00 0.00 178.44 179.13 3ipw h SER 157 N 0.81 1.07 -0.36 2.65 4.64 -2.00 0.70 113.55 121.07 3ipw h SER 157 Ca 0.22 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 3ipw h SER 157 Cb -0.08 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.73 3ipw h SER 157 CO -0.05 0.80 -0.36 0.44 -0.87 0.00 0.00 176.83 176.79 3ipw h ASP 158 N 1.24 0.94 -0.46 4.97 5.19 -1.84 -2.88 116.42 123.58 3ipw h ASP 158 Ca 0.33 -0.47 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 3ipw h ASP 158 Cb -0.09 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.13 3ipw h ASP 158 CO -0.07 1.21 0.24 0.25 -3.12 0.00 0.00 179.24 177.76 3ipw h LEU 159 N 0.67 0.59 -1.10 1.55 5.85 -0.46 -1.44 115.31 120.97 3ipw h LEU 159 Ca 0.06 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 3ipw h LEU 159 Cb 0.95 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3ipw h LEU 159 CO 0.09 0.53 -0.09 0.00 -0.34 0.00 0.00 178.44 178.63 3ipw h GLN 161 N 0.50 0.35 -0.56 0.00 4.20 -1.27 -2.20 115.11 116.13 3ipw h GLN 161 Ca 0.10 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3ipw h GLN 161 Cb 0.46 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3ipw h GLN 161 CO 0.02 0.48 0.31 -0.07 -0.67 0.00 0.00 178.83 178.91 3ipw h LEU 162 N 0.17 0.70 -0.88 1.46 3.38 -0.98 -0.73 115.31 118.42 3ipw h LEU 162 Ca 0.07 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3ipw h LEU 162 Cb 0.29 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3ipw h LEU 162 CO 0.00 0.59 0.54 0.78 0.09 0.00 0.00 178.44 180.44 3ipw h ASN 163 N 0.76 0.82 -0.11 -0.43 2.35 -0.99 0.68 115.58 118.66 3ipw h ASN 163 Ca 0.20 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3ipw h ASN 163 Cb 0.04 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 3ipw h ASN 163 CO -0.03 0.49 0.02 0.11 -1.65 0.00 0.00 177.43 176.37 3ipw h LYS 164 N 0.94 0.18 -0.71 0.81 1.57 -0.91 -0.18 116.57 118.27 3ipw h LYS 164 Ca 0.41 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.22 3ipw h LYS 164 Cb 0.28 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3ipw h LYS 164 CO -0.21 0.39 0.37 1.49 -0.57 0.00 0.00 179.45 180.92 3ipw h GLU 165 N -0.06 0.62 -0.03 3.15 4.81 -0.68 -2.36 114.58 120.04 3ipw h GLU 165 Ca 0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3ipw h GLU 165 Cb 0.30 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3ipw h GLU 165 CO 0.00 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 3ipw n LEU 166 N -4.84 0.92 -0.41 1.64 4.77 0.19 -4.93 117.00 114.34 3ipw n LEU 166 Ca 0.11 -0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 55.72 3ipw n LEU 166 Cb 0.25 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3ipw n LEU 166 CO 0.26 0.16 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 3ipw n GLY 167 N 1.08 0.51 0.09 -0.72 0.00 -0.89 -4.95 105.19 100.32 3ipw n GLY 167 Ca 0.20 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 3ipw n GLY 167 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ipw h TYR 168 N 0.00 0.02 -2.34 1.61 0.05 -1.28 -3.46 116.97 111.57 3ipw h TYR 168 Ca -0.10 -0.01 -0.58 0.00 0.05 0.00 0.00 58.73 58.10 3ipw h TYR 168 Cb 0.60 -0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.40 3ipw h TYR 168 CO 0.12 0.85 0.81 0.09 -1.05 0.00 0.00 178.16 178.98 3ipw n ASN 169 N -3.55 3.18 0.00 3.88 4.13 -1.23 -0.93 115.26 120.73 3ipw n ASN 169 Ca -0.01 1.08 0.00 0.00 1.68 0.00 0.00 54.58 57.34 3ipw n ASN 169 Cb 0.80 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 3ipw n ASN 169 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ipw n GLY 170 N 3.40 0.70 3.91 7.41 0.00 -1.26 -5.08 105.19 114.28 3ipw n GLY 170 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3ipw n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ipw s LYS 172 N -5.37 3.89 0.00 0.00 1.02 -1.26 -4.84 119.74 113.18 3ipw s LYS 172 Ca 0.60 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.96 3ipw s LYS 172 Cb -0.11 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 3ipw s LYS 172 CO 0.47 0.47 0.00 0.41 -0.92 0.00 0.00 175.35 175.78 3ipw n GLY 173 N 0.66 0.56 3.07 -3.33 0.00 -1.26 -1.15 105.19 103.74 3ipw n GLY 173 Ca -0.05 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 3ipw n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ipw s VAL 174 N -2.00 1.17 -0.46 1.61 1.01 -0.62 -0.91 120.40 120.21 3ipw s VAL 174 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 3ipw s VAL 174 Cb 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.38 3ipw s VAL 174 CO 0.00 0.35 0.67 -0.69 0.00 0.00 0.00 175.10 175.43 3ipw s VAL 175 N 0.25 4.79 0.49 2.92 1.01 0.30 -1.03 120.40 129.14 3ipw s VAL 175 Ca -0.07 0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3ipw s VAL 175 Cb -0.12 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.03 3ipw s VAL 175 CO 0.02 -0.67 0.71 -1.38 0.00 0.00 0.00 175.10 173.78 3ipw s HIS 176 N 2.90 3.01 -1.48 5.22 -0.00 -0.67 -0.70 115.29 123.56 3ipw s HIS 176 Ca 0.23 0.05 -0.01 0.00 -0.00 0.00 0.00 55.06 55.33 3ipw s HIS 176 Cb -0.15 -2.53 0.01 0.00 -0.00 0.00 0.00 32.58 29.91 3ipw s HIS 176 CO 0.18 -0.61 0.23 0.00 -0.00 0.00 0.00 174.74 174.54 3ipw s PHE 178 N -4.14 3.39 -0.06 0.00 5.36 -0.19 -4.82 117.98 117.51 3ipw s PHE 178 Ca 0.02 1.26 0.23 0.00 -0.96 0.00 0.00 56.93 57.49 3ipw s PHE 178 Cb -0.01 -3.48 0.42 0.00 -0.34 0.00 0.00 43.02 39.61 3ipw s PHE 178 CO 0.94 -1.49 1.15 -0.40 -1.46 0.00 0.00 175.22 173.96 3ipw n ASP 179 N 3.48 0.95 -2.03 6.13 5.75 -1.26 -4.17 116.55 125.40 3ipw n ASP 179 Ca 0.08 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3ipw n ASP 179 Cb 0.45 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3ipw n ASP 179 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ipw n GLY 180 N 0.18 -0.04 3.93 6.12 0.00 -1.26 -5.07 105.19 109.05 3ipw n GLY 180 Ca 0.04 -1.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 3ipw n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ipw s THR 181 N 0.15 2.86 0.23 2.61 -4.23 -1.26 -4.89 115.64 111.10 3ipw s THR 181 Ca 0.00 -0.16 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 3ipw s THR 181 Cb 0.00 -3.19 0.19 0.00 1.34 0.00 0.00 72.50 70.84 3ipw s THR 181 CO 0.00 -0.20 1.76 1.05 -0.54 0.00 0.00 174.62 176.69 3ipw h GLU 182 N -0.41 0.52 -0.68 3.99 9.09 -1.95 0.13 114.58 125.26 3ipw h GLU 182 Ca -0.45 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 58.87 3ipw h GLU 182 Cb 1.29 -0.12 -0.03 0.00 -1.65 0.00 0.00 28.75 28.25 3ipw h GLU 182 CO 0.60 0.34 0.16 1.05 0.05 0.00 0.00 179.01 181.22 3ipw h GLU 183 N 0.53 1.08 -0.32 1.06 -0.00 -1.99 -0.09 114.58 114.86 3ipw h GLU 183 Ca 0.37 -0.25 -0.04 0.00 -0.00 0.00 0.00 59.36 59.43 3ipw h GLU 183 Cb 0.46 -0.15 -0.01 0.00 -0.00 0.00 0.00 28.75 29.05 3ipw h GLU 183 CO -0.32 0.96 0.03 0.93 -0.00 0.00 0.00 179.01 180.61 3ipw h GLU 184 N 1.03 0.55 -0.29 1.06 5.08 -1.84 -1.13 114.58 119.03 3ipw h GLU 184 Ca 0.22 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3ipw h GLU 184 Cb 0.36 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 3ipw h GLU 184 CO 0.00 0.66 -0.06 1.98 -1.00 0.00 0.00 179.01 180.59 3ipw h MET 185 N 0.37 0.02 -0.71 2.33 4.05 -0.64 0.70 114.93 121.04 3ipw h MET 185 Ca 0.10 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 3ipw h MET 185 Cb 0.39 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3ipw h MET 185 CO 0.01 0.01 0.28 -0.91 0.23 0.00 0.00 176.91 176.53 3ipw h ASN 186 N 0.02 0.97 -0.57 1.39 -0.26 -0.95 -1.93 115.58 114.25 3ipw h ASN 186 Ca 0.14 -0.14 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 3ipw h ASN 186 Cb 0.21 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 3ipw h ASN 186 CO -0.29 0.87 0.05 1.56 -1.06 0.00 0.00 177.43 178.56 3ipw h GLN 187 N 1.04 0.97 -0.15 0.81 4.20 -0.41 -0.41 115.11 121.16 3ipw h GLN 187 Ca 0.24 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3ipw h GLN 187 Cb 0.20 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 3ipw h GLN 187 CO -0.02 0.95 -0.14 0.82 -0.67 0.00 0.00 178.83 179.77 3ipw h ILE 188 N 0.86 0.62 -0.68 2.54 2.04 -0.71 -1.89 117.51 120.29 3ipw h ILE 188 Ca 0.17 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 3ipw h ILE 188 Cb 0.48 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3ipw h ILE 188 CO 0.02 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 178.29 3ipw h LEU 189 N -0.16 1.00 -2.09 1.44 3.38 -1.27 -2.04 115.31 115.57 3ipw h LEU 189 Ca 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ipw h LEU 189 Cb 0.30 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ipw h LEU 189 CO -0.24 0.96 -0.04 -1.13 0.09 0.00 0.00 178.44 178.07 3ipw h ASN 190 N 1.00 0.00 -0.07 -0.43 -1.24 -0.91 -1.33 115.58 112.60 3ipw h ASN 190 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3ipw h ASN 190 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 3ipw h ASN 190 CO -0.00 0.04 0.00 -0.62 -1.29 0.00 0.00 177.43 175.56 3ipw n GLU 191 N -4.19 1.18 -0.58 6.67 -0.58 -0.72 -4.89 120.64 117.53 3ipw n GLU 191 Ca -0.03 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.43 3ipw n GLU 191 Cb 0.13 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3ipw n GLU 191 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ipw n GLY 192 N 0.72 0.75 3.95 0.62 0.00 -0.50 -4.55 105.19 106.17 3ipw n GLY 192 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3ipw n GLY 192 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ipw s TRP 193 N -2.53 3.43 0.48 1.61 0.52 -1.09 -4.70 118.94 116.67 3ipw s TRP 193 Ca 0.00 0.26 0.07 0.00 0.02 0.00 0.00 56.10 56.45 3ipw s TRP 193 Cb 0.00 -1.93 0.03 0.00 -1.15 0.00 0.00 33.47 30.42 3ipw s TRP 193 CO 0.00 0.08 0.65 -0.51 0.02 0.00 0.00 176.95 177.19 3ipw s ASP 194 N -4.06 5.47 -0.08 2.95 1.01 -0.09 -4.14 116.67 117.73 3ipw s ASP 194 Ca 0.41 -0.41 0.03 0.00 0.71 0.00 0.00 52.55 53.29 3ipw s ASP 194 Cb -0.10 -0.54 0.01 0.00 1.01 0.00 0.00 42.92 43.30 3ipw s ASP 194 CO 0.35 -0.95 -0.18 -0.63 0.21 0.00 0.00 175.17 173.98 3ipw s ILE 195 N -2.50 1.55 -0.17 0.77 1.01 -0.52 -0.54 121.20 120.80 3ipw s ILE 195 Ca 0.57 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 3ipw s ILE 195 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3ipw s ILE 195 CO 0.35 0.45 0.11 -0.83 0.00 0.00 0.00 174.94 175.02 3ipw s GLY 196 N 0.46 2.03 -0.12 6.18 0.00 0.12 -1.80 107.32 114.19 3ipw s GLY 196 Ca -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 3ipw s GLY 196 CO 0.06 -0.02 -0.09 0.14 0.00 0.00 0.00 173.10 173.19 3ipw s VAL 197 N 0.01 3.47 0.46 1.40 1.01 0.25 -1.02 120.40 125.98 3ipw s VAL 197 Ca 0.09 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3ipw s VAL 197 Cb -0.12 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3ipw s VAL 197 CO -0.00 0.53 0.08 1.07 0.00 0.00 0.00 175.10 176.78 3ipw n THR 198 N 3.24 0.00 -0.16 3.92 5.66 -1.26 -2.21 114.28 123.47 3ipw n THR 198 Ca -0.18 -2.40 0.10 0.00 -3.05 0.00 0.00 64.05 58.52 3ipw n THR 198 Cb 0.53 0.68 0.42 0.00 -1.55 0.00 0.00 70.33 70.41 3ipw n THR 198 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 3ipw h GLY 199 N 1.44 0.85 0.68 1.09 0.00 -1.77 0.01 103.07 105.36 3ipw h GLY 199 Ca -0.37 -0.25 0.12 0.00 0.00 0.00 0.00 47.33 46.84 3ipw h GLY 199 CO 0.60 0.14 0.54 -0.57 0.00 0.00 0.00 176.54 177.25 3ipw h ASN 200 N 0.60 0.62 0.46 0.19 -1.24 -1.91 -1.76 115.58 112.53 3ipw h ASN 200 Ca 0.33 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.37 3ipw h ASN 200 Cb 0.50 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.45 3ipw h ASN 200 CO -0.11 0.34 0.00 -1.20 -1.29 0.00 0.00 177.43 175.16 3ipw n SER 201 N -4.53 0.00 -0.15 1.15 7.64 -0.01 -3.71 113.62 114.01 3ipw n SER 201 Ca 0.15 0.34 0.07 0.00 1.01 0.00 0.00 58.87 60.45 3ipw n SER 201 Cb 0.42 -0.42 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 3ipw n SER 201 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ipw n LEU 202 N -1.42 1.82 0.08 -3.43 4.77 -0.66 -4.40 117.00 113.76 3ipw n LEU 202 Ca 0.05 -2.57 -0.05 0.00 -0.03 0.00 0.00 56.01 53.41 3ipw n LEU 202 Cb 0.16 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3ipw n LEU 202 CO 0.14 0.60 0.22 1.56 -1.33 0.00 0.00 177.39 178.58 3ipw h GLN 203 N 0.00 0.00 -5.47 3.23 1.08 -1.64 -1.57 115.11 110.74 3ipw h GLN 203 Ca 0.00 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.78 3ipw h GLN 203 Cb 1.06 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.33 3ipw h GLN 203 CO 0.00 0.90 -0.74 -1.54 -0.95 0.00 0.00 178.83 176.50 3ipw s SER 204 N -6.70 2.34 0.26 1.46 1.04 -1.26 -0.57 113.70 110.28 3ipw s SER 204 Ca 0.01 -0.98 -0.03 0.00 0.48 0.00 0.00 55.95 55.44 3ipw s SER 204 Cb 0.10 -0.10 0.40 0.00 0.10 0.00 0.00 66.02 66.52 3ipw s SER 204 CO 0.80 -0.19 1.88 0.40 0.98 0.00 0.00 173.24 177.12 3ipw h ILE 205 N 2.80 1.08 -0.64 -1.02 2.04 -1.93 -0.43 117.51 119.41 3ipw h ILE 205 Ca -0.38 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3ipw h ILE 205 Cb 1.21 -0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3ipw h ILE 205 CO 0.60 0.21 0.40 -0.33 0.00 0.00 0.00 178.15 179.03 3ipw h GLU 206 N 1.17 0.86 -0.60 2.37 3.07 -1.99 -1.89 114.58 117.56 3ipw h GLU 206 Ca 0.43 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.14 3ipw h GLU 206 Cb 0.17 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3ipw h GLU 206 CO -0.17 0.59 0.02 -0.07 -1.40 0.00 0.00 179.01 177.98 3ipw h LEU 207 N 0.87 1.00 -1.18 1.33 3.38 -1.69 -2.73 115.31 116.29 3ipw h LEU 207 Ca 0.23 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3ipw h LEU 207 Cb -0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 3ipw h LEU 207 CO -0.05 1.04 0.57 -0.07 0.09 0.00 0.00 178.44 180.02 3ipw h LEU 208 N 0.95 0.91 -0.94 1.67 3.38 -0.76 0.74 115.31 121.25 3ipw h LEU 208 Ca 0.17 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3ipw h LEU 208 Cb 0.51 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ipw h LEU 208 CO 0.02 0.61 -0.16 0.78 0.09 0.00 0.00 178.44 179.78 3ipw h ASN 209 N 1.04 0.00 0.04 -0.43 2.35 -1.07 -1.67 115.58 115.85 3ipw h ASN 209 Ca 0.36 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3ipw h ASN 209 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3ipw h ASN 209 CO -0.12 0.16 -0.02 0.58 -1.65 0.00 0.00 177.43 176.39 3ipw h VAL 210 N 0.00 0.79 -0.75 2.81 2.07 -1.04 -3.38 116.25 116.75 3ipw h VAL 210 Ca -0.00 -1.49 0.10 0.00 0.82 0.00 0.00 66.70 66.13 3ipw h VAL 210 Cb 0.79 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3ipw h VAL 210 CO 0.02 0.26 0.49 0.24 0.02 0.00 0.00 177.57 178.60 3ipw h MET 211 N -0.98 0.63 0.00 1.57 2.86 -0.81 -0.47 114.93 117.74 3ipw h MET 211 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3ipw h MET 211 Cb 0.46 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3ipw h MET 211 CO 0.01 0.42 0.00 1.57 1.06 0.00 0.00 176.91 179.97 3ipw h LYS 212 N 0.65 0.00 -0.00 1.72 2.10 -1.48 -1.87 116.57 117.68 3ipw h LYS 212 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 3ipw h LYS 212 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 3ipw h LYS 212 CO -0.12 0.00 -0.33 1.04 -2.00 0.00 0.00 179.45 178.03 3ipw n GLN 213 N -2.55 0.17 -2.06 0.07 6.02 -0.18 -4.81 117.38 114.04 3ipw n GLN 213 Ca -0.00 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.48 3ipw n GLN 213 Cb 0.15 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 3ipw n GLN 213 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ipw s ILE 214 N -2.89 3.38 0.34 5.09 1.01 -0.71 -4.93 121.20 122.50 3ipw s ILE 214 Ca 0.15 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.27 3ipw s ILE 214 Cb 0.18 -3.49 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 3ipw s ILE 214 CO 0.62 -0.01 1.40 -2.65 0.00 0.00 0.00 174.94 174.30 3ipw n PRO 215 N 5.75 2.37 0.04 2.79 -0.02 -1.26 -4.87 135.00 139.80 3ipw n PRO 215 Ca 0.15 0.83 0.08 0.00 -2.02 0.00 0.00 63.50 62.54 3ipw n PRO 215 Cb 0.42 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 31.92 3ipw n PRO 215 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3ipw h ILE 216 N 2.80 1.00 -0.05 4.25 6.09 -1.96 -0.25 117.51 129.40 3ipw h ILE 216 Ca -0.48 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 62.89 3ipw h ILE 216 Cb 1.26 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.17 3ipw h ILE 216 CO 0.66 0.06 0.00 -1.84 -3.07 0.00 0.00 178.15 173.96 3ipw n GLU 217 N -4.48 1.21 -0.02 2.19 0.00 -1.26 -3.09 120.64 115.18 3ipw n GLU 217 Ca 0.04 -0.31 0.02 0.00 0.00 0.00 0.00 57.16 56.91 3ipw n GLU 217 Cb 0.18 -1.32 0.03 0.00 0.00 0.00 0.00 31.44 30.33 3ipw n GLU 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3ipw n ARG 218 N -0.48 2.44 -4.53 3.44 5.12 -0.11 -4.94 116.66 117.61 3ipw n ARG 218 Ca 0.15 -1.68 -0.34 0.00 -1.93 0.00 0.00 57.85 54.05 3ipw n ARG 218 Cb 0.14 -1.08 -0.12 0.00 -1.16 0.00 0.00 32.46 30.25 3ipw n ARG 218 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ipw s LEU 219 N -1.34 3.19 0.10 0.55 2.96 -1.18 -1.43 118.68 121.53 3ipw s LEU 219 Ca 0.07 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.96 3ipw s LEU 219 Cb 0.06 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3ipw s LEU 219 CO 0.01 0.27 -0.16 -1.00 -1.32 0.00 0.00 176.35 174.15 3ipw s HIS 220 N -0.24 1.43 0.23 5.38 3.76 -0.75 -4.70 115.29 120.40 3ipw s HIS 220 Ca 0.04 -0.48 0.11 0.00 -0.15 0.00 0.00 55.06 54.58 3ipw s HIS 220 Cb -0.13 -0.77 -0.05 0.00 1.11 0.00 0.00 32.58 32.74 3ipw s HIS 220 CO 0.02 0.13 -0.21 0.96 -0.85 0.00 0.00 174.74 174.79 3ipw s ILE 221 N -1.59 2.35 0.09 0.60 -4.36 -1.26 -0.58 121.20 116.45 3ipw s ILE 221 Ca 0.04 -2.21 -0.26 0.00 -0.26 0.00 0.00 60.65 57.97 3ipw s ILE 221 Cb -0.08 -2.19 0.08 0.00 1.25 0.00 0.00 42.46 41.53 3ipw s ILE 221 CO 0.03 -0.28 0.78 -1.83 0.24 0.00 0.00 174.94 173.88 3ipw s GLU 222 N -3.12 1.10 -0.16 0.37 -1.05 -0.94 -3.32 118.70 111.58 3ipw s GLU 222 Ca 0.25 -0.45 0.13 0.00 -0.15 0.00 0.00 54.97 54.75 3ipw s GLU 222 Cb -0.06 0.47 -0.19 0.00 -0.44 0.00 0.00 34.13 33.91 3ipw s GLU 222 CO 0.12 -0.48 0.04 0.25 0.95 0.00 0.00 175.26 176.14 3ipw n THR 223 N -0.33 1.09 -2.67 1.83 -2.24 -1.22 -4.30 114.28 106.44 3ipw n THR 223 Ca -0.11 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 3ipw n THR 223 Cb 0.63 -0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3ipw n THR 223 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ipw n ASP 224 N -2.61 -4.45 -4.78 3.42 9.92 0.13 -4.58 116.55 113.60 3ipw n ASP 224 Ca -0.26 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.63 3ipw n ASP 224 Cb 1.01 -3.72 -0.03 0.00 -0.64 0.00 0.00 41.12 37.73 3ipw n ASP 224 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ipw n PRO 226 N -0.01 0.33 -1.75 0.00 -0.04 -1.26 -0.44 135.00 131.84 3ipw n PRO 226 Ca 0.05 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.24 3ipw n PRO 226 Cb 0.48 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 3ipw n PRO 226 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3ipw s TYR 227 N -2.63 3.05 -0.26 0.54 1.51 -0.72 -1.83 117.35 117.01 3ipw s TYR 227 Ca 0.24 1.03 0.00 0.00 -1.01 0.00 0.00 57.07 57.33 3ipw s TYR 227 Cb 0.18 -3.16 0.00 0.00 -0.11 0.00 0.00 41.96 38.87 3ipw s TYR 227 CO 0.43 -1.54 0.00 0.00 -1.11 0.00 0.00 175.55 173.32 3ipw s GLY 229 N -2.59 2.88 0.09 0.00 0.00 -1.26 -3.24 107.32 103.20 3ipw s GLY 229 Ca 0.00 1.25 -0.33 0.00 0.00 0.00 0.00 44.72 45.64 3ipw s GLY 229 CO 0.00 1.78 1.77 1.39 0.00 0.00 0.00 173.10 178.04 3ipw n ILE 230 N -0.55 0.30 -3.41 0.90 2.08 -1.26 -4.91 119.36 112.51 3ipw n ILE 230 Ca 0.08 -0.05 -0.29 0.00 0.56 0.00 0.00 62.75 63.05 3ipw n ILE 230 Cb 0.45 -1.91 -0.03 0.00 -0.75 0.00 0.00 39.64 37.40 3ipw n ILE 230 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3ipw s LYS 231 N 2.45 3.62 0.55 0.38 -2.85 -1.26 -4.98 119.74 117.65 3ipw s LYS 231 Ca 0.83 -0.04 0.27 0.00 -1.00 0.00 0.00 55.97 56.03 3ipw s LYS 231 Cb -0.58 -2.68 1.45 0.00 -2.06 0.00 0.00 37.83 33.95 3ipw s LYS 231 CO 0.40 0.26 1.99 0.87 0.10 0.00 0.00 175.35 178.97 3ipw h LYS 232 N 1.82 0.00 0.00 1.78 6.56 -1.99 -0.40 116.57 124.34 3ipw h LYS 232 Ca -0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.10 3ipw h LYS 232 Cb 1.19 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.85 3ipw h LYS 232 CO 0.67 0.00 -0.08 1.15 -2.06 0.00 0.00 179.45 179.13 3ipw h THR 233 N 0.00 0.18 -3.93 -0.16 2.02 -1.99 -3.47 112.91 105.57 3ipw h THR 233 Ca 0.24 -0.78 -0.52 0.00 0.77 0.00 0.00 66.41 66.11 3ipw h THR 233 Cb 1.02 1.66 0.07 0.00 -1.74 0.00 0.00 68.15 69.16 3ipw h THR 233 CO -0.00 0.08 0.57 -0.55 0.37 0.00 0.00 175.52 175.98 3ipw s SER 234 N -5.92 6.46 0.24 4.18 0.15 -0.16 -4.94 113.70 113.71 3ipw s SER 234 Ca 0.02 2.54 -0.05 0.00 0.70 0.00 0.00 55.95 59.16 3ipw s SER 234 Cb 0.09 -2.63 0.36 0.00 -1.71 0.00 0.00 66.02 62.13 3ipw s SER 234 CO 0.59 -0.73 1.84 0.00 1.20 0.00 0.00 173.24 176.13 3ipw h ALA 235 N 2.78 1.19 0.00 5.45 0.00 -0.92 -2.04 119.26 125.72 3ipw h ALA 235 Ca -0.49 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ipw h ALA 235 Cb 1.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ipw h ALA 235 CO 0.63 0.22 -0.01 0.78 0.00 0.00 0.00 179.25 180.87 3ipw h GLY 236 N 0.92 0.00 1.49 0.00 0.00 -1.52 -2.81 103.07 101.15 3ipw h GLY 236 Ca 0.39 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.78 3ipw h GLY 236 CO -0.20 0.00 0.19 -2.75 0.00 0.00 0.00 176.54 173.78 3ipw h PHE 237 N 0.00 0.00 -0.38 5.60 3.57 -1.61 -0.35 116.94 123.77 3ipw h PHE 237 Ca -0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3ipw h PHE 237 Cb 0.03 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3ipw h PHE 237 CO 0.00 0.00 0.37 0.87 -2.23 0.00 0.00 178.31 177.32 3ipw h LYS 238 N 0.00 0.00 -0.01 1.11 1.79 -1.64 -1.79 116.57 116.03 3ipw h LYS 238 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3ipw h LYS 238 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3ipw h LYS 238 CO -0.00 0.00 -0.49 0.66 -1.08 0.00 0.00 179.45 178.54 3ipw n TYR 239 N -3.85 0.00 -3.36 -1.35 4.02 -0.14 -4.94 117.16 107.54 3ipw n TYR 239 Ca 0.06 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.66 3ipw n TYR 239 Cb 0.55 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.73 3ipw n TYR 239 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3ipw s LEU 240 N -2.68 4.09 -0.33 7.72 1.43 -0.67 -4.77 118.68 123.47 3ipw s LEU 240 Ca 0.17 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 54.07 3ipw s LEU 240 Cb 0.18 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.92 3ipw s LEU 240 CO 0.63 -0.16 0.06 -1.59 0.23 0.00 0.00 176.35 175.53 3ipw s LYS 241 N -3.32 1.25 -0.47 1.70 0.00 -1.26 -4.82 119.74 112.81 3ipw s LYS 241 Ca 0.45 -1.63 -0.03 0.00 0.00 0.00 0.00 55.97 54.77 3ipw s LYS 241 Cb -0.11 -2.83 0.00 0.00 0.00 0.00 0.00 37.83 34.89 3ipw s LYS 241 CO 0.27 -0.95 0.34 0.39 0.00 0.00 0.00 175.35 175.40 3ipw n GLU 242 N 4.44 -2.37 -1.68 1.78 1.02 -1.26 -4.99 120.64 117.57 3ipw n GLU 242 Ca 0.02 0.28 -0.45 0.00 -0.02 0.00 0.00 57.16 57.00 3ipw n GLU 242 Cb 0.42 -3.71 -0.04 0.00 -0.02 0.00 0.00 31.44 28.10 3ipw n GLU 242 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3ipw n LYS 243 N -1.96 2.28 -2.84 3.49 4.81 -1.26 -4.95 118.16 117.73 3ipw n LYS 243 Ca -0.01 0.82 -0.42 0.00 -0.87 0.00 0.00 58.31 57.83 3ipw n LYS 243 Cb 0.53 -2.59 -0.04 0.00 0.02 0.00 0.00 35.03 32.95 3ipw n LYS 243 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3ipw s ASP 244 N 0.84 6.65 0.00 3.14 -1.08 -1.26 -4.93 116.67 120.03 3ipw s ASP 244 Ca 0.76 0.53 0.28 0.00 -0.52 0.00 0.00 52.55 53.60 3ipw s ASP 244 Cb -0.63 -2.45 1.11 0.00 -1.46 0.00 0.00 42.92 39.49 3ipw s ASP 244 CO 0.39 -0.83 1.79 0.49 0.52 0.00 0.00 175.17 177.54 3ipw n PHE 245 N 6.69 0.00 -4.17 -5.34 3.01 -1.26 -5.00 117.46 111.38 3ipw n PHE 245 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 3ipw n PHE 245 Cb 0.48 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 3ipw n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ipw n GLY 246 N 1.33 -1.02 3.32 1.37 0.00 -1.26 -4.04 105.19 104.89 3ipw n GLY 246 Ca 0.12 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 3ipw n GLY 246 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ipw s VAL 247 N 0.00 1.79 0.42 1.61 -7.23 -0.36 -4.75 120.40 111.88 3ipw s VAL 247 Ca 0.00 -1.82 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 3ipw s VAL 247 Cb 0.00 -1.77 -0.10 0.00 0.56 0.00 0.00 36.38 35.07 3ipw s VAL 247 CO 0.00 -0.24 1.05 2.29 -0.31 0.00 0.00 175.10 177.88 3ipw n LYS 248 N 0.51 1.43 0.23 4.82 0.00 -1.26 -0.88 118.16 123.01 3ipw n LYS 248 Ca -0.15 0.51 0.11 0.00 -0.00 0.00 0.00 58.31 58.78 3ipw n LYS 248 Cb 0.56 -2.09 0.70 0.00 -0.00 0.00 0.00 35.03 34.20 3ipw n LYS 248 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 3ipw h VAL 249 N 1.61 0.87 0.00 0.58 3.04 -1.96 0.27 116.25 120.66 3ipw h VAL 249 Ca -0.45 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.18 3ipw h VAL 249 Cb 1.33 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 3ipw h VAL 249 CO 0.57 0.00 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.53 3ipw h GLU 250 N 0.00 0.00 -0.89 4.17 3.07 -1.95 -2.93 114.58 116.06 3ipw h GLU 250 Ca 0.03 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.35 3ipw h GLU 250 Cb 0.14 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.77 3ipw h GLU 250 CO -0.00 0.27 0.53 1.63 -1.40 0.00 0.00 179.01 180.04 3ipw n LYS 251 N -3.82 2.48 -1.66 2.33 5.02 0.07 -5.03 118.16 117.55 3ipw n LYS 251 Ca -0.01 -3.24 -0.48 0.00 -2.02 0.00 0.00 58.31 52.55 3ipw n LYS 251 Cb 0.36 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.14 3ipw n LYS 251 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3ipw n TYR 252 N -1.02 2.12 -5.19 2.13 9.36 -1.11 -4.77 117.16 118.69 3ipw n TYR 252 Ca 0.56 0.31 -0.31 0.00 3.32 0.00 0.00 57.90 61.78 3ipw n TYR 252 Cb 1.13 -2.52 -0.17 0.00 -0.63 0.00 0.00 39.34 37.15 3ipw n TYR 252 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 3ipw s GLN 253 N 1.44 2.75 0.41 2.98 1.03 -1.26 -5.03 119.66 121.97 3ipw s GLN 253 Ca 0.83 -0.85 0.17 0.00 0.04 0.00 0.00 55.36 55.55 3ipw s GLN 253 Cb -0.75 -2.17 1.07 0.00 0.03 0.00 0.00 33.01 31.18 3ipw s GLN 253 CO 0.43 0.24 1.83 -0.09 -2.54 0.00 0.00 175.29 175.16 3ipw h ARG 254 N 6.48 0.42 -0.59 9.60 2.43 -2.00 -1.30 114.38 129.42 3ipw h ARG 254 Ca -0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3ipw h ARG 254 Cb 1.21 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3ipw h ARG 254 CO 0.47 0.28 0.00 0.27 -1.51 0.00 0.00 179.97 179.48 3ipw n ASN 255 N -4.55 3.39 -4.23 -3.80 6.94 -1.26 -4.91 115.26 106.85 3ipw n ASN 255 Ca 0.21 -2.22 -0.20 0.00 -0.02 0.00 0.00 54.58 52.36 3ipw n ASN 255 Cb 0.73 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 37.59 3ipw n ASN 255 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3ipw s LYS 256 N -1.60 0.97 0.46 -3.83 1.02 -0.49 -5.14 119.74 111.13 3ipw s LYS 256 Ca 0.37 -1.10 -0.24 0.00 0.02 0.00 0.00 55.97 55.01 3ipw s LYS 256 Cb 0.22 -1.01 -0.07 0.00 -0.52 0.00 0.00 37.83 36.45 3ipw s LYS 256 CO 0.20 0.22 1.33 0.71 -0.92 0.00 0.00 175.35 176.89 3ipw s TYR 257 N -1.51 2.60 -0.01 3.18 4.12 -1.26 -4.68 117.35 119.78 3ipw s TYR 257 Ca 0.04 1.38 -0.21 0.00 0.02 0.00 0.00 57.07 58.29 3ipw s TYR 257 Cb -0.08 -3.73 -0.05 0.00 -1.52 0.00 0.00 41.96 36.57 3ipw s TYR 257 CO 0.03 -2.44 0.63 0.08 0.02 0.00 0.00 175.55 173.87 3ipw s VAL 258 N -1.29 4.90 0.26 0.71 1.01 -1.26 -1.22 120.40 123.51 3ipw s VAL 258 Ca 0.62 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 3ipw s VAL 258 Cb -0.39 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 3ipw s VAL 258 CO 0.49 0.39 1.61 -1.58 0.00 0.00 0.00 175.10 176.00 3ipw s GLN 259 N -0.05 4.14 0.00 2.72 0.74 -0.06 -1.61 119.66 125.55 3ipw s GLN 259 Ca 0.33 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.29 3ipw s GLN 259 Cb -0.18 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3ipw s GLN 259 CO 0.18 -0.64 0.00 0.54 -0.55 0.00 0.00 175.29 174.82 3ipw n ARG 260 N 2.68 -0.39 -3.53 1.67 1.74 -1.26 -4.82 116.66 112.74 3ipw n ARG 260 Ca 0.10 0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 3ipw n ARG 260 Cb 0.37 -3.68 -0.07 0.00 -1.02 0.00 0.00 32.46 28.06 3ipw n ARG 260 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3ipw s ARG 261 N -0.69 2.84 0.84 5.56 3.52 -0.63 -4.76 118.95 125.62 3ipw s ARG 261 Ca 0.00 -2.19 -0.12 0.00 -0.13 0.00 0.00 55.73 53.28 3ipw s ARG 261 Cb 0.00 -4.02 0.10 0.00 -1.56 0.00 0.00 34.95 29.47 3ipw s ARG 261 CO 0.00 -1.22 1.18 1.21 -0.81 0.00 0.00 175.30 175.66 3ipw s ASN 262 N 1.96 3.45 0.05 -2.12 2.47 -0.76 -4.56 114.94 115.43 3ipw s ASN 262 Ca 0.12 2.27 -0.03 0.00 0.42 0.00 0.00 52.86 55.65 3ipw s ASN 262 Cb -0.20 -2.58 -0.03 0.00 -1.45 0.00 0.00 41.25 37.00 3ipw s ASN 262 CO -0.04 -2.76 0.02 -1.61 -3.72 0.00 0.00 177.10 169.00 3ipw s GLU 263 N -4.34 0.58 0.34 0.43 2.02 -1.26 -4.14 118.70 112.34 3ipw s GLU 263 Ca 0.70 -1.00 0.14 0.00 0.02 0.00 0.00 54.97 54.83 3ipw s GLU 263 Cb -0.26 0.21 1.02 0.00 0.10 0.00 0.00 34.13 35.20 3ipw s GLU 263 CO 0.53 -0.12 1.70 -1.35 0.02 0.00 0.00 175.26 176.04 3ipw h PRO 264 N 3.45 0.42 0.00 0.39 0.11 -1.95 0.36 132.00 134.79 3ipw h PRO 264 Ca -0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 3ipw h PRO 264 Cb 1.17 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ipw h PRO 264 CO 0.58 0.28 -0.04 0.66 -0.21 0.00 0.00 178.00 179.26 3ipw h SER 265 N 0.43 0.00 0.03 -2.05 4.64 -1.87 -1.79 113.55 112.95 3ipw h SER 265 Ca 0.68 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.00 3ipw h SER 265 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3ipw h SER 265 CO -0.50 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.09 3ipw n ASN 266 N -3.31 0.00 0.27 4.97 4.13 0.12 -3.01 115.26 118.42 3ipw n ASN 266 Ca -0.02 -0.57 0.17 0.00 1.68 0.00 0.00 54.58 55.85 3ipw n ASN 266 Cb 0.19 -0.03 0.93 0.00 -1.54 0.00 0.00 39.78 39.33 3ipw n ASN 266 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3ipw h ILE 267 N 0.00 0.38 -0.16 2.41 2.10 -1.45 -1.87 117.51 118.93 3ipw h ILE 267 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 3ipw h ILE 267 Cb 0.02 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 36.65 3ipw h ILE 267 CO 0.00 0.00 -0.02 0.16 -1.08 0.00 0.00 178.15 177.21 3ipw h ILE 268 N 0.00 1.12 -0.81 2.19 3.07 -1.80 -1.82 117.51 119.47 3ipw h ILE 268 Ca 0.04 -0.47 0.04 0.00 1.55 0.00 0.00 64.86 66.01 3ipw h ILE 268 Cb 0.25 1.02 -0.05 0.00 -0.27 0.00 0.00 36.82 37.77 3ipw h ILE 268 CO -0.00 0.16 0.51 0.44 -1.05 0.00 0.00 178.15 178.20 3ipw h ASP 269 N 0.23 0.83 -0.28 2.16 3.32 -1.62 -0.66 116.42 120.40 3ipw h ASP 269 Ca 0.06 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3ipw h ASP 269 Cb 0.20 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3ipw h ASP 269 CO 0.01 0.56 -0.04 0.40 -1.72 0.00 0.00 179.24 178.45 3ipw h ILE 270 N 0.97 1.27 -0.64 0.35 1.08 -1.46 -2.05 117.51 117.03 3ipw h ILE 270 Ca 0.33 -1.03 -0.04 0.00 -0.39 0.00 0.00 64.86 63.74 3ipw h ILE 270 Cb 0.06 1.37 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 3ipw h ILE 270 CO -0.13 0.33 0.24 0.00 -0.69 0.00 0.00 178.15 177.90 3ipw h ALA 271 N 0.80 1.22 0.24 1.87 0.00 -1.16 -1.04 119.26 121.20 3ipw h ALA 271 Ca 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ipw h ALA 271 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ipw h ALA 271 CO 0.02 0.56 -0.12 0.82 0.00 0.00 0.00 179.25 180.54 3ipw h ILE 272 N 0.92 0.82 -0.05 0.00 2.04 -0.98 -1.64 117.51 118.62 3ipw h ILE 272 Ca 0.21 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.65 3ipw h ILE 272 Cb 0.20 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3ipw h ILE 272 CO -0.02 0.10 -0.17 0.40 0.00 0.00 0.00 178.15 178.46 3ipw h ILE 273 N -0.56 0.58 -0.67 -0.67 2.04 -1.36 -1.25 117.51 115.62 3ipw h ILE 273 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3ipw h ILE 273 Cb 0.41 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3ipw h ILE 273 CO 0.05 0.00 0.35 0.24 0.00 0.00 0.00 178.15 178.79 3ipw h MET 274 N -0.25 0.94 -0.10 2.37 2.86 -1.18 -0.44 114.93 119.13 3ipw h MET 274 Ca 0.07 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 3ipw h MET 274 Cb 0.35 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3ipw h MET 274 CO -0.20 0.73 -0.51 0.66 1.06 0.00 0.00 176.91 178.65 3ipw h SER 275 N 0.92 0.30 -0.15 1.22 4.64 -1.20 -0.66 113.55 118.61 3ipw h SER 275 Ca 0.23 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 3ipw h SER 275 Cb 0.07 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3ipw h SER 275 CO -0.03 0.76 -0.07 0.28 -0.87 0.00 0.00 176.83 176.90 3ipw h SER 276 N 0.22 0.32 0.98 4.97 0.02 -0.75 -1.02 113.55 118.29 3ipw h SER 276 Ca 0.01 -0.40 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 3ipw h SER 276 Cb 0.98 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3ipw h SER 276 CO 0.08 0.65 -0.31 0.16 -1.14 0.00 0.00 176.83 176.28 3ipw h ILE 277 N -0.01 0.70 -0.01 3.27 3.07 -1.00 -2.76 117.51 120.77 3ipw h ILE 277 Ca 0.04 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 65.05 3ipw h ILE 277 Cb 0.53 1.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3ipw h ILE 277 CO 0.02 0.30 -0.20 0.29 -1.05 0.00 0.00 178.15 177.51 3ipw n LYS 278 N -3.42 0.81 -3.91 0.16 5.02 -0.26 -4.90 118.16 111.66 3ipw n LYS 278 Ca 0.00 -0.42 -0.26 0.00 -2.02 0.00 0.00 58.31 55.61 3ipw n LYS 278 Cb 0.50 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3ipw n LYS 278 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3ipw n HIS 279 N -0.73 -1.81 -4.55 2.13 -0.00 -0.50 -4.99 115.22 104.76 3ipw n HIS 279 Ca 0.13 0.80 -0.34 0.00 -0.00 0.00 0.00 57.72 58.31 3ipw n HIS 279 Cb 0.33 -3.87 -0.12 0.00 -0.00 0.00 0.00 29.99 26.33 3ipw n HIS 279 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3ipw s ILE 280 N -3.72 3.74 -0.14 3.57 1.01 -0.52 -5.05 121.20 120.09 3ipw s ILE 280 Ca 0.17 -0.44 -0.41 0.00 0.00 0.00 0.00 60.65 59.96 3ipw s ILE 280 Cb -0.09 -2.57 -0.19 0.00 0.01 0.00 0.00 42.46 39.62 3ipw s ILE 280 CO 0.86 0.56 1.33 -0.24 0.00 0.00 0.00 174.94 177.45 3ipw n SER 281 N 2.78 0.87 -0.18 3.58 2.88 -1.26 -4.58 113.62 117.71 3ipw n SER 281 Ca -0.18 1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 58.48 3ipw n SER 281 Cb 0.53 -0.99 0.03 0.00 -0.75 0.00 0.00 64.21 63.03 3ipw n SER 281 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3ipw h LEU 282 N 4.26 -0.82 -0.79 2.46 5.85 -1.96 0.13 115.31 124.43 3ipw h LEU 282 Ca -0.48 0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.32 3ipw h LEU 282 Cb 1.38 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 3ipw h LEU 282 CO 0.79 -0.26 -0.34 -0.26 -0.34 0.00 0.00 178.44 178.03 3ipw h PHE 283 N -0.11 0.59 -0.48 1.25 0.04 -1.99 0.17 116.94 116.41 3ipw h PHE 283 Ca 0.25 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3ipw h PHE 283 Cb 0.49 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3ipw h PHE 283 CO -0.54 0.79 0.25 1.49 -0.60 0.00 0.00 178.31 179.71 3ipw h GLU 284 N 0.43 0.68 0.05 1.51 4.81 -1.84 -1.34 114.58 118.87 3ipw h GLU 284 Ca 0.05 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3ipw h GLU 284 Cb 0.81 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.06 3ipw h GLU 284 CO 0.07 0.54 -0.02 0.35 -0.73 0.00 0.00 179.01 179.21 3ipw h PHE 285 N 0.63 -0.06 -0.60 0.92 3.57 -0.22 -1.64 116.94 119.54 3ipw h PHE 285 Ca 0.17 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.73 3ipw h PHE 285 Cb 0.07 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3ipw h PHE 285 CO -0.02 0.00 0.31 0.28 -2.23 0.00 0.00 178.31 176.65 3ipw h VAL 286 N -0.11 0.93 -0.68 1.41 2.07 -0.61 -1.59 116.25 117.67 3ipw h VAL 286 Ca -0.01 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3ipw h VAL 286 Cb 0.09 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3ipw h VAL 286 CO 0.01 0.10 0.32 0.78 0.02 0.00 0.00 177.57 178.81 3ipw h ASN 287 N 0.57 0.89 -0.11 0.57 2.35 -1.05 -1.35 115.58 117.45 3ipw h ASN 287 Ca 0.28 -0.13 -0.23 0.00 -0.55 0.00 0.00 56.30 55.67 3ipw h ASN 287 Cb 0.21 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.36 3ipw h ASN 287 CO -0.20 0.77 -0.82 0.50 -1.65 0.00 0.00 177.43 176.03 3ipw h LYS 288 N 0.94 0.75 -0.44 0.81 1.63 -0.87 -2.06 116.57 117.33 3ipw h LYS 288 Ca 0.23 -0.66 -0.08 0.00 -0.85 0.00 0.00 60.65 59.29 3ipw h LYS 288 Cb 0.12 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3ipw h LYS 288 CO -0.03 1.26 -0.04 0.28 -3.45 0.00 0.00 179.45 177.47 3ipw h VAL 289 N 0.46 1.27 -0.31 2.00 2.07 -1.26 0.90 116.25 121.37 3ipw h VAL 289 Ca -0.07 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3ipw h VAL 289 Cb 1.46 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3ipw h VAL 289 CO 0.17 0.38 -0.20 0.22 0.02 0.00 0.00 177.57 178.15 3ipw h TYR 290 N 0.63 -0.52 -0.65 1.57 3.20 -1.26 -1.32 116.97 118.61 3ipw h TYR 290 Ca 0.12 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3ipw h TYR 290 Cb 0.55 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 3ipw h TYR 290 CO 0.04 -0.28 0.38 1.03 -1.64 0.00 0.00 178.16 177.69 3ipw h SER 291 N -0.17 0.60 -0.42 -2.11 0.87 -0.93 -0.10 113.55 111.28 3ipw h SER 291 Ca 0.16 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.81 3ipw h SER 291 Cb 0.42 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.20 3ipw h SER 291 CO -0.41 0.41 -0.00 0.78 -0.53 0.00 0.00 176.83 177.07 3ipw h ASN 292 N 0.73 -0.18 0.34 6.23 2.35 -0.17 -0.41 115.58 124.48 3ipw h ASN 292 Ca 0.27 0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.95 3ipw h ASN 292 Cb 0.09 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3ipw h ASN 292 CO -0.14 -0.05 -0.71 0.28 -1.65 0.00 0.00 177.43 175.16 3ipw h SER 293 N 0.11 0.38 0.23 5.81 0.02 -0.77 -1.19 113.55 118.14 3ipw h SER 293 Ca 0.21 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3ipw h SER 293 Cb 0.30 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3ipw h SER 293 CO -0.35 0.97 -0.11 0.24 -1.14 0.00 0.00 176.83 176.44 3ipw h MET 294 N 0.22 -0.30 0.00 3.45 2.86 -0.81 -0.86 114.93 119.49 3ipw h MET 294 Ca -0.02 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3ipw h MET 294 Cb 1.27 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 3ipw h MET 294 CO 0.12 -0.13 -0.25 -0.91 1.06 0.00 0.00 176.91 176.80 3ipw h ASN 295 N -0.41 0.00 0.06 1.22 2.35 -0.94 0.27 115.58 118.13 3ipw h ASN 295 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ipw h ASN 295 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3ipw h ASN 295 CO 0.05 0.25 -0.03 -0.03 -1.65 0.00 0.00 177.43 176.02 3ipw h MET 296 N 0.00 -0.08 0.00 0.81 4.05 -1.17 -3.38 114.93 115.16 3ipw h MET 296 Ca -0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ipw h MET 296 Cb 0.45 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 3ipw h MET 296 CO 0.03 0.51 -1.45 0.66 0.23 0.00 0.00 176.91 176.89 3ipw n TYR 297 N -4.80 0.00 -2.72 1.39 4.01 -0.33 -4.69 117.16 110.01 3ipw n TYR 297 Ca -0.08 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.48 3ipw n TYR 297 Cb 0.31 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3ipw n TYR 297 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ipw n PHE 298 N -1.85 1.97 -1.64 -0.72 3.01 0.90 -4.90 117.46 114.24 3ipw n PHE 298 Ca -0.02 -3.18 -0.32 0.00 1.01 0.00 0.00 57.45 54.94 3ipw n PHE 298 Cb 0.27 -0.31 0.05 0.00 -0.01 0.00 0.00 39.48 39.48 3ipw n PHE 298 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3ipw s PRO 299 N -3.17 2.87 0.00 -1.08 0.04 -1.00 -4.64 135.00 128.02 3ipw s PRO 299 Ca 0.38 1.10 0.24 0.00 0.04 0.00 0.00 61.00 62.76 3ipw s PRO 299 Cb 0.41 -1.98 0.23 0.00 0.04 0.00 0.00 34.50 33.20 3ipw s PRO 299 CO -0.07 -1.16 1.28 0.25 0.04 0.00 0.00 177.00 177.34