#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hdu n ARG 2 N 0.00 0.00 -3.64 0.00 0.63 -1.26 -5.09 116.66 107.29 1hdu n ARG 2 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1hdu n ARG 2 Cb 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1hdu n ARG 2 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1hdu s SER 3 N 0.00 -0.67 0.23 6.15 0.15 -1.26 -5.01 113.70 113.28 1hdu s SER 3 Ca 0.00 1.12 0.15 0.00 0.70 0.00 0.00 55.95 57.92 1hdu s SER 3 Cb 0.00 1.23 0.79 0.00 -1.71 0.00 0.00 66.02 66.34 1hdu s SER 3 CO 0.00 -0.18 1.44 0.35 1.20 0.00 0.00 173.24 176.04 1hdu n THR 4 N 3.50 1.28 0.87 6.45 -2.24 -1.26 -0.25 114.28 122.63 1hdu n THR 4 Ca -0.17 0.67 0.12 0.00 -2.27 0.00 0.00 64.05 62.40 1hdu n THR 4 Cb 0.57 -1.67 0.25 0.00 -2.10 0.00 0.00 70.33 67.39 1hdu n THR 4 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hdu n ASN 5 N -2.01 0.52 -0.29 3.42 3.02 -1.26 -3.66 115.26 115.01 1hdu n ASN 5 Ca -0.01 -0.09 0.07 0.00 -0.03 0.00 0.00 54.58 54.52 1hdu n ASN 5 Cb 0.05 0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 1hdu n ASN 5 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1hdu n THR 6 N -1.68 0.00 -2.22 3.41 -1.04 0.66 -4.98 114.28 108.42 1hdu n THR 6 Ca 0.05 -0.33 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 1hdu n THR 6 Cb 0.37 1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 70.00 1hdu n THR 6 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1hdu s PHE 7 N -1.81 3.23 -0.69 -1.42 2.19 -0.96 -3.79 117.98 114.72 1hdu s PHE 7 Ca 0.11 1.36 -0.21 0.00 0.33 0.00 0.00 56.93 58.52 1hdu s PHE 7 Cb 0.11 -3.59 0.09 0.00 -1.31 0.00 0.00 43.02 38.33 1hdu s PHE 7 CO 0.39 -1.68 0.94 1.21 1.83 0.00 0.00 175.22 177.91 1hdu s ASN 8 N -0.16 6.24 0.00 6.13 3.84 -1.26 -4.87 114.94 124.86 1hdu s ASN 8 Ca 0.52 -1.24 0.23 0.00 0.21 0.00 0.00 52.86 52.59 1hdu s ASN 8 Cb -0.37 -2.39 1.04 0.00 -0.55 0.00 0.00 41.25 38.98 1hdu s ASN 8 CO 0.44 -1.32 1.75 -1.22 -2.79 0.00 0.00 177.10 173.96 1hdu n TYR 9 N 7.27 0.00 -0.77 0.43 4.01 -1.26 -3.41 117.16 123.43 1hdu n TYR 9 Ca -0.01 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1hdu n TYR 9 Cb 0.45 -0.45 0.33 0.00 -0.31 0.00 0.00 39.34 39.37 1hdu n TYR 9 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hdu n ALA 10 N -1.45 4.06 -2.38 -0.72 0.00 -1.26 -4.61 120.51 114.15 1hdu n ALA 10 Ca 0.07 -1.90 -0.09 0.00 0.00 0.00 0.00 53.44 51.52 1hdu n ALA 10 Cb 0.25 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 1hdu n ALA 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1hdu s THR 11 N -2.67 0.12 0.12 0.00 -1.32 -1.22 -4.60 115.64 106.07 1hdu s THR 11 Ca 0.50 -1.61 -0.20 0.00 -1.21 0.00 0.00 61.69 59.17 1hdu s THR 11 Cb 0.39 -1.78 -0.07 0.00 -1.51 0.00 0.00 72.50 69.52 1hdu s THR 11 CO 0.14 -0.53 0.63 -0.31 -2.21 0.00 0.00 174.62 172.33 1hdu s TYR 12 N -3.97 3.78 0.34 9.09 2.02 -1.26 -5.02 117.35 122.32 1hdu s TYR 12 Ca 0.16 1.33 0.09 0.00 -0.37 0.00 0.00 57.07 58.28 1hdu s TYR 12 Cb 0.06 -2.55 -0.06 0.00 -0.40 0.00 0.00 41.96 39.01 1hdu s TYR 12 CO -0.03 0.52 -0.07 -1.01 -1.57 0.00 0.00 175.55 173.39 1hdu s HIS 13 N -1.23 2.43 0.73 2.71 3.76 -1.26 -5.15 115.29 117.28 1hdu s HIS 13 Ca 0.33 -0.49 -0.05 0.00 -0.15 0.00 0.00 55.06 54.70 1hdu s HIS 13 Cb -0.19 -1.41 0.10 0.00 1.11 0.00 0.00 32.58 32.19 1hdu s HIS 13 CO 0.21 0.56 1.02 0.95 -0.85 0.00 0.00 174.74 176.63 1hdu s THR 14 N -2.59 2.24 0.13 1.30 -4.23 -1.26 -4.92 115.64 106.30 1hdu s THR 14 Ca 0.33 -0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.27 1hdu s THR 14 Cb 0.02 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 1hdu s THR 14 CO 0.17 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.24 1hdu h LEU 15 N -0.65 0.38 -0.84 4.79 7.12 -1.97 -2.47 115.31 121.67 1hdu h LEU 15 Ca -0.41 -0.08 0.07 0.00 0.13 0.00 0.00 57.88 57.58 1hdu h LEU 15 Cb 1.28 -0.10 -0.06 0.00 -0.53 0.00 0.00 40.66 41.26 1hdu h LEU 15 CO 0.49 0.34 0.51 0.44 -0.13 0.00 0.00 178.44 180.10 1hdu h ASP 16 N 0.38 0.80 -0.70 1.25 3.32 -1.99 -0.13 116.42 119.35 1hdu h ASP 16 Ca 0.11 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1hdu h ASP 16 Cb 0.05 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1hdu h ASP 16 CO -0.02 0.51 0.18 -0.33 -1.72 0.00 0.00 179.24 177.85 1hdu h GLU 17 N 0.93 1.13 -0.28 3.56 5.08 -1.89 -0.02 114.58 123.09 1hdu h GLU 17 Ca 0.37 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 1hdu h GLU 17 Cb 0.19 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1hdu h GLU 17 CO -0.18 0.99 -0.38 0.82 -1.00 0.00 0.00 179.01 179.26 1hdu h ILE 18 N 1.06 1.30 -0.59 3.13 2.04 -0.97 -0.71 117.51 122.77 1hdu h ILE 18 Ca 0.22 -1.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 1hdu h ILE 18 Cb 0.37 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1hdu h ILE 18 CO 0.00 0.50 0.14 1.88 0.00 0.00 0.00 178.15 180.67 1hdu h TYR 19 N 0.49 0.96 -0.54 1.37 -1.99 -0.89 -1.49 116.97 114.88 1hdu h TYR 19 Ca 0.03 -0.10 -0.11 0.00 2.00 0.00 0.00 58.73 60.55 1hdu h TYR 19 Cb 0.97 -0.28 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 1hdu h TYR 19 CO 0.08 0.80 -0.11 -0.44 -0.00 0.00 0.00 178.16 178.48 1hdu h ASP 20 N 0.88 1.03 -0.65 3.88 3.32 -0.91 -2.75 116.42 121.22 1hdu h ASP 20 Ca 0.19 -0.35 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1hdu h ASP 20 Cb 0.33 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1hdu h ASP 20 CO 0.00 1.14 0.33 0.15 -1.72 0.00 0.00 179.24 179.14 1hdu h PHE 21 N 0.90 0.60 -0.80 4.55 3.57 -0.60 -1.35 116.94 123.80 1hdu h PHE 21 Ca 0.14 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1hdu h PHE 21 Cb 0.68 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1hdu h PHE 21 CO 0.05 0.25 0.47 0.52 -2.23 0.00 0.00 178.31 177.37 1hdu h MET 22 N 0.60 0.81 -0.31 1.11 2.86 -1.00 -0.40 114.93 118.60 1hdu h MET 22 Ca 0.31 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.79 1hdu h MET 22 Cb 0.26 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1hdu h MET 22 CO -0.22 0.53 -0.28 -0.44 1.06 0.00 0.00 176.91 177.56 1hdu h ASP 23 N 0.83 0.63 -0.37 1.22 3.32 -1.12 -2.18 116.42 118.76 1hdu h ASP 23 Ca 0.36 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1hdu h ASP 23 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1hdu h ASP 23 CO -0.20 0.89 0.02 -0.07 -1.72 0.00 0.00 179.24 178.16 1hdu h LEU 24 N 0.54 0.62 -0.36 1.55 3.38 -0.36 -2.00 115.31 118.68 1hdu h LEU 24 Ca 0.07 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1hdu h LEU 24 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1hdu h LEU 24 CO 0.06 0.76 0.22 0.25 0.09 0.00 0.00 178.44 179.81 1hdu h LEU 25 N 0.46 0.43 -0.76 1.67 5.85 -0.98 -1.79 115.31 120.19 1hdu h LEU 25 Ca 0.11 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1hdu h LEU 25 Cb 0.42 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1hdu h LEU 25 CO 0.01 0.35 0.50 0.58 -0.34 0.00 0.00 178.44 179.54 1hdu h VAL 26 N 0.47 1.17 -0.25 1.05 2.07 -1.33 -1.03 116.25 118.40 1hdu h VAL 26 Ca 0.13 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1hdu h VAL 26 Cb -0.00 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1hdu h VAL 26 CO -0.02 0.18 -0.13 0.00 0.02 0.00 0.00 177.57 177.62 1hdu h ALA 27 N 1.29 1.33 0.00 1.67 0.00 -1.08 -2.54 119.26 119.92 1hdu h ALA 27 Ca 0.29 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1hdu h ALA 27 Cb -0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1hdu h ALA 27 CO -0.08 0.45 -0.84 1.96 0.00 0.00 0.00 179.25 180.75 1hdu h GLN 28 N 0.38 0.00 -2.07 0.00 4.20 -0.80 -3.38 115.11 113.43 1hdu h GLN 28 Ca 0.07 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.25 1hdu h GLN 28 Cb 0.46 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.84 1hdu h GLN 28 CO 0.03 0.62 -1.02 0.72 -0.67 0.00 0.00 178.83 178.51 1hdu n HIS 29 N -3.20 1.12 -0.14 2.96 8.25 -0.44 -4.96 115.22 118.80 1hdu n HIS 29 Ca -0.01 -3.83 0.07 0.00 -0.26 0.00 0.00 57.72 53.69 1hdu n HIS 29 Cb 0.83 -0.43 0.39 0.00 1.12 0.00 0.00 29.99 31.89 1hdu n HIS 29 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1hdu h PRO 30 N 3.33 0.65 0.00 -0.41 0.11 -1.66 -1.24 132.00 132.79 1hdu h PRO 30 Ca 0.11 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1hdu h PRO 30 Cb 0.83 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1hdu h PRO 30 CO 0.58 0.43 0.00 0.39 -0.21 0.00 0.00 178.00 179.19 1hdu n GLU 31 N -4.48 0.17 -0.00 1.05 -0.58 -1.26 -4.13 120.64 111.40 1hdu n GLU 31 Ca 0.10 0.06 -0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1hdu n GLU 31 Cb 0.23 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1hdu n GLU 31 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1hdu n LEU 32 N -1.40 2.10 -4.13 -4.62 7.94 -0.88 -4.78 117.00 111.22 1hdu n LEU 32 Ca 0.09 -0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.75 1hdu n LEU 32 Cb 0.25 -0.01 -0.15 0.00 0.53 0.00 0.00 43.42 44.04 1hdu n LEU 32 CO 0.22 0.36 -0.49 0.54 -1.11 0.00 0.00 177.39 176.91 1hdu s VAL 33 N -2.01 1.27 0.10 1.96 0.11 -0.52 -1.24 120.40 120.07 1hdu s VAL 33 Ca -0.01 -0.67 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 1hdu s VAL 33 Cb 0.00 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1hdu s VAL 33 CO 0.01 0.36 -0.11 -0.94 -3.33 0.00 0.00 175.10 171.10 1hdu s SER 34 N -0.28 1.55 -0.20 3.54 1.04 -0.82 -4.53 113.70 114.01 1hdu s SER 34 Ca 0.04 -0.81 -0.06 0.00 0.48 0.00 0.00 55.95 55.61 1hdu s SER 34 Cb -0.07 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1hdu s SER 34 CO -0.00 -0.24 0.02 -0.75 0.98 0.00 0.00 173.24 173.25 1hdu s LYS 35 N -2.74 3.69 -0.04 4.02 2.20 -1.26 -1.14 119.74 124.47 1hdu s LYS 35 Ca 0.06 -0.48 0.04 0.00 -0.36 0.00 0.00 55.97 55.23 1hdu s LYS 35 Cb -0.03 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 1hdu s LYS 35 CO 0.01 0.05 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.39 1hdu s LEU 36 N 0.91 2.68 -0.31 5.43 1.43 0.06 -4.97 118.68 123.91 1hdu s LEU 36 Ca 0.02 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1hdu s LEU 36 Cb -0.14 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1hdu s LEU 36 CO 0.02 0.33 0.18 -1.58 0.23 0.00 0.00 176.35 175.54 1hdu s GLN 37 N -0.82 3.51 0.00 1.70 0.74 -1.26 -0.89 119.66 122.64 1hdu s GLN 37 Ca 0.12 -0.61 0.24 0.00 0.05 0.00 0.00 55.36 55.16 1hdu s GLN 37 Cb -0.11 -3.65 0.22 0.00 1.10 0.00 0.00 33.01 30.58 1hdu s GLN 37 CO 0.01 -0.37 1.28 0.44 -0.55 0.00 0.00 175.29 176.10 1hdu n ILE 38 N 5.03 0.03 -3.76 -2.34 -5.35 -0.67 -5.02 119.36 107.28 1hdu n ILE 38 Ca -0.14 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1hdu n ILE 38 Cb 0.50 1.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.85 1hdu n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hdu n GLY 39 N 1.35 -1.25 3.05 3.28 0.00 -1.25 -4.79 105.19 105.58 1hdu n GLY 39 Ca 0.14 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 1hdu n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hdu s ARG 40 N -1.53 0.64 1.05 1.61 0.52 -1.26 -0.97 118.95 119.01 1hdu s ARG 40 Ca 0.00 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 1hdu s ARG 40 Cb 0.00 -0.56 0.21 0.00 0.52 0.00 0.00 34.95 35.12 1hdu s ARG 40 CO 0.00 0.14 1.13 -1.54 0.02 0.00 0.00 175.30 175.05 1hdu s SER 41 N -0.80 2.25 0.28 0.23 1.04 0.97 -4.72 113.70 112.95 1hdu s SER 41 Ca -0.01 0.86 0.01 0.00 0.48 0.00 0.00 55.95 57.29 1hdu s SER 41 Cb -0.06 -1.31 0.55 0.00 0.10 0.00 0.00 66.02 65.30 1hdu s SER 41 CO 0.00 -3.33 1.81 0.22 0.98 0.00 0.00 173.24 172.93 1hdu h TYR 42 N -2.03 1.04 -0.33 5.02 3.20 -1.96 0.46 116.97 122.37 1hdu h TYR 42 Ca -0.50 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.38 1hdu h TYR 42 Cb 1.31 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1hdu h TYR 42 CO -0.65 0.37 0.03 0.39 -1.64 0.00 0.00 178.16 176.67 1hdu n GLU 43 N -4.69 2.95 -0.98 1.82 1.02 -1.26 -4.91 120.64 114.59 1hdu n GLU 43 Ca 0.19 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1hdu n GLU 43 Cb 0.39 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1hdu n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hdu n GLY 44 N 0.26 0.68 3.76 0.62 0.00 0.15 -5.03 105.19 105.64 1hdu n GLY 44 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1hdu n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hdu s ARG 45 N -0.10 4.70 0.49 1.61 0.52 -1.26 -4.64 118.95 120.27 1hdu s ARG 45 Ca 0.00 1.62 -0.23 0.00 -0.52 0.00 0.00 55.73 56.60 1hdu s ARG 45 Cb 0.00 -3.16 -0.06 0.00 0.52 0.00 0.00 34.95 32.25 1hdu s ARG 45 CO 0.00 0.33 1.28 -1.25 0.02 0.00 0.00 175.30 175.67 1hdu s PRO 46 N -1.44 3.51 -0.31 3.54 0.04 -1.26 -0.02 135.00 139.06 1hdu s PRO 46 Ca 0.44 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.46 1hdu s PRO 46 Cb -0.28 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 31.88 1hdu s PRO 46 CO 0.35 -0.83 0.09 0.42 0.04 0.00 0.00 177.00 177.07 1hdu s ILE 47 N -1.39 3.97 0.05 0.56 1.01 -0.14 -4.79 121.20 120.47 1hdu s ILE 47 Ca 0.66 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1hdu s ILE 47 Cb -0.35 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 1hdu s ILE 47 CO 0.43 0.00 0.02 -0.31 0.00 0.00 0.00 174.94 175.09 1hdu s TYR 48 N 1.48 3.08 -0.01 3.97 2.02 -1.26 -1.67 117.35 124.95 1hdu s TYR 48 Ca 0.02 0.05 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1hdu s TYR 48 Cb -0.18 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1hdu s TYR 48 CO 0.03 0.49 -0.13 0.08 -1.57 0.00 0.00 175.55 174.45 1hdu s VAL 49 N -1.24 1.01 -0.21 0.71 1.01 -0.07 -4.46 120.40 117.15 1hdu s VAL 49 Ca 0.24 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 1hdu s VAL 49 Cb -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1hdu s VAL 49 CO 0.16 0.29 0.17 -0.76 0.00 0.00 0.00 175.10 174.96 1hdu s LEU 50 N -0.20 4.18 -0.24 3.92 1.43 0.33 -0.76 118.68 127.34 1hdu s LEU 50 Ca 0.03 0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1hdu s LEU 50 Cb -0.06 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1hdu s LEU 50 CO -0.00 0.12 0.05 -0.75 0.23 0.00 0.00 176.35 176.00 1hdu s LYS 51 N 0.63 3.64 -0.24 1.70 2.20 -0.29 -0.75 119.74 126.62 1hdu s LYS 51 Ca 0.09 -0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1hdu s LYS 51 Cb -0.12 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1hdu s LYS 51 CO 0.01 -0.15 0.07 -0.06 -0.36 0.00 0.00 175.35 174.86 1hdu s PHE 52 N 1.49 3.11 -0.06 4.03 0.40 -0.11 -1.94 117.98 124.90 1hdu s PHE 52 Ca 0.06 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 55.90 1hdu s PHE 52 Cb -0.15 -2.21 0.04 0.00 0.51 0.00 0.00 43.02 41.21 1hdu s PHE 52 CO 0.03 -0.26 0.40 0.45 0.70 0.00 0.00 175.22 176.54 1hdu s SER 53 N 1.38 -0.34 0.00 1.36 0.15 -0.37 -1.69 113.70 114.18 1hdu s SER 53 Ca 0.05 0.41 0.22 0.00 0.70 0.00 0.00 55.95 57.34 1hdu s SER 53 Cb -0.15 0.51 0.33 0.00 -1.71 0.00 0.00 66.02 65.00 1hdu s SER 53 CO 0.04 -0.38 1.32 1.07 1.20 0.00 0.00 173.24 176.48 1hdu n THR 54 N 1.69 0.34 0.00 6.45 5.66 -1.26 -4.44 114.28 122.72 1hdu n THR 54 Ca -0.19 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.14 1hdu n THR 54 Cb 0.56 1.14 0.00 0.00 -1.55 0.00 0.00 70.33 70.48 1hdu n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1hdu n GLY 55 N 1.37 0.29 0.47 1.09 0.00 -1.26 -5.08 105.19 102.08 1hdu n GLY 55 Ca 0.17 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.52 1hdu n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hdu n GLY 56 N 0.00 -1.78 0.00 -0.02 0.00 -1.26 -4.79 105.19 97.34 1hdu n GLY 56 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1hdu n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1hdu n SER 57 N -2.52 0.00 -3.09 1.61 7.64 -1.26 -4.82 113.62 111.18 1hdu n SER 57 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.63 1hdu n SER 57 Cb 0.22 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 1hdu n SER 57 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hdu n ASN 58 N 0.00 3.05 -4.33 6.43 5.03 -1.26 -5.10 115.26 119.07 1hdu n ASN 58 Ca 0.00 -3.40 -0.36 0.00 0.87 0.00 0.00 54.58 51.69 1hdu n ASN 58 Cb 0.00 -0.60 0.06 0.00 -1.02 0.00 0.00 39.78 38.23 1hdu n ASN 58 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1hdu n ARG 59 N 0.14 0.09 -1.69 3.52 3.00 -1.26 -4.87 116.66 115.59 1hdu n ARG 59 Ca 0.28 0.06 -0.35 0.00 -0.01 0.00 0.00 57.85 57.84 1hdu n ARG 59 Cb 0.48 -1.54 0.06 0.00 0.00 0.00 0.00 32.46 31.46 1hdu n ARG 59 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1hdu s PRO 60 N -2.50 2.54 0.29 5.56 0.04 -1.26 -4.64 135.00 135.03 1hdu s PRO 60 Ca 0.58 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.41 1hdu s PRO 60 Cb -0.31 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 1hdu s PRO 60 CO 0.66 -1.52 -0.02 0.00 0.04 0.00 0.00 177.00 176.15 1hdu s ALA 61 N -1.89 2.35 -0.12 8.56 0.00 0.14 -2.20 121.76 128.61 1hdu s ALA 61 Ca 0.75 -1.96 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1hdu s ALA 61 Cb -0.28 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1hdu s ALA 61 CO 0.40 -0.15 -0.23 0.42 0.00 0.00 0.00 175.76 176.20 1hdu s ILE 62 N -3.10 2.03 -0.13 0.00 -1.09 -0.02 -0.38 121.20 118.52 1hdu s ILE 62 Ca 0.32 -0.99 -0.05 0.00 -2.23 0.00 0.00 60.65 57.70 1hdu s ILE 62 Cb 0.06 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1hdu s ILE 62 CO 0.13 0.55 0.05 0.86 -1.23 0.00 0.00 174.94 175.30 1hdu s TRP 63 N 0.56 3.28 -0.04 3.97 -0.11 -0.32 -0.62 118.94 125.67 1hdu s TRP 63 Ca -0.14 0.20 -0.02 0.00 1.22 0.00 0.00 56.10 57.37 1hdu s TRP 63 Cb -0.17 -1.93 0.03 0.00 -1.50 0.00 0.00 33.47 29.90 1hdu s TRP 63 CO 0.04 0.40 0.05 0.42 -4.62 0.00 0.00 176.95 173.24 1hdu s ILE 64 N -0.44 -0.06 0.09 5.86 1.01 -0.29 -0.24 121.20 127.13 1hdu s ILE 64 Ca 0.09 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.22 1hdu s ILE 64 Cb -0.12 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 1hdu s ILE 64 CO 0.02 0.18 -0.23 1.51 0.00 0.00 0.00 174.94 176.42 1hdu s ASP 65 N 2.08 2.75 0.07 3.58 1.47 -0.33 -0.87 116.67 125.43 1hdu s ASP 65 Ca 0.04 -0.66 0.01 0.00 1.18 0.00 0.00 52.55 53.12 1hdu s ASP 65 Cb -0.12 -0.18 -0.04 0.00 -0.34 0.00 0.00 42.92 42.24 1hdu s ASP 65 CO -0.03 0.12 -0.05 -0.76 0.68 0.00 0.00 175.17 175.13 1hdu s LEU 66 N -1.73 2.48 -1.31 2.11 1.02 -0.03 -1.19 118.68 120.03 1hdu s LEU 66 Ca 0.09 -0.96 -0.01 0.00 0.02 0.00 0.00 54.13 53.26 1hdu s LEU 66 Cb -0.10 0.04 0.00 0.00 0.02 0.00 0.00 46.19 46.15 1hdu s LEU 66 CO 0.04 -0.50 0.17 0.61 0.02 0.00 0.00 176.35 176.69 1hdu n GLY 67 N 0.16 -0.28 0.21 -3.19 0.00 -1.25 -1.95 105.19 98.89 1hdu n GLY 67 Ca -0.14 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.78 1hdu n GLY 67 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hdu h ILE 68 N -0.39 0.93 -3.63 -0.61 2.10 -1.90 -3.01 117.51 110.99 1hdu h ILE 68 Ca -0.39 -1.10 -0.70 0.00 1.08 0.00 0.00 64.86 63.75 1hdu h ILE 68 Cb 1.28 1.64 -0.29 0.00 -1.09 0.00 0.00 36.82 38.36 1hdu h ILE 68 CO 0.45 0.28 -0.58 -1.00 -1.08 0.00 0.00 178.15 176.22 1hdu s HIS 69 N -4.03 3.29 0.34 2.19 3.76 -1.26 -4.57 115.29 115.01 1hdu s HIS 69 Ca -0.02 -1.51 0.11 0.00 -0.15 0.00 0.00 55.06 53.48 1hdu s HIS 69 Cb 0.13 -2.44 0.89 0.00 1.11 0.00 0.00 32.58 32.27 1hdu s HIS 69 CO 0.67 -0.77 1.77 0.66 -0.85 0.00 0.00 174.74 176.23 1hdu h SER 70 N 8.23 0.65 0.70 1.40 4.64 -1.68 -2.60 113.55 124.90 1hdu h SER 70 Ca -0.22 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1hdu h SER 70 Cb 1.08 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1hdu h SER 70 CO 0.63 0.18 0.00 -2.11 -0.87 0.00 0.00 176.83 174.66 1hdu n ARG 71 N -4.74 0.11 -1.72 4.77 1.85 -0.61 -4.08 116.66 112.23 1hdu n ARG 71 Ca 0.24 0.31 -0.40 0.00 -1.00 0.00 0.00 57.85 57.00 1hdu n ARG 71 Cb 0.70 -1.69 -0.01 0.00 -1.05 0.00 0.00 32.46 30.40 1hdu n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1hdu n GLU 72 N -1.89 3.81 -0.26 2.89 1.02 -0.98 -4.78 120.64 120.45 1hdu n GLU 72 Ca 0.03 -2.82 0.29 0.00 -0.02 0.00 0.00 57.16 54.64 1hdu n GLU 72 Cb 0.23 -2.85 0.68 0.00 -0.02 0.00 0.00 31.44 29.47 1hdu n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1hdu h TRP 73 N 5.16 0.15 0.00 -0.32 4.06 -1.80 -0.85 115.95 122.36 1hdu h TRP 73 Ca 0.71 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 61.65 1hdu h TRP 73 Cb 0.40 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1hdu h TRP 73 CO 1.64 0.02 -0.05 0.97 -3.56 0.00 0.00 178.44 177.46 1hdu h ILE 74 N 0.10 0.64 -0.04 1.49 6.09 -1.86 -2.54 117.51 121.38 1hdu h ILE 74 Ca 0.51 -0.20 -0.02 0.00 -1.37 0.00 0.00 64.86 63.77 1hdu h ILE 74 Cb 1.83 1.13 -0.00 0.00 0.47 0.00 0.00 36.82 40.24 1hdu h ILE 74 CO -0.07 0.05 -0.06 0.71 -3.07 0.00 0.00 178.15 175.71 1hdu h THR 75 N 0.00 1.41 -0.65 2.19 1.35 -1.49 -0.97 112.91 114.75 1hdu h THR 75 Ca -0.00 -1.32 -0.03 0.00 -0.55 0.00 0.00 66.41 64.51 1hdu h THR 75 Cb 0.12 2.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 1hdu h THR 75 CO 0.01 0.36 0.30 1.56 -0.25 0.00 0.00 175.52 177.49 1hdu h GLN 76 N -0.38 0.94 -0.59 4.72 7.50 -1.65 0.87 115.11 126.52 1hdu h GLN 76 Ca 0.00 -0.13 -0.07 0.00 0.50 0.00 0.00 58.65 58.95 1hdu h GLN 76 Cb 0.61 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.94 1hdu h GLN 76 CO 0.01 0.74 0.09 0.00 -1.50 0.00 0.00 178.83 178.17 1hdu h ALA 77 N 1.40 1.04 -0.13 3.87 0.00 -1.43 -1.61 119.26 122.39 1hdu h ALA 77 Ca 0.23 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1hdu h ALA 77 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1hdu h ALA 77 CO -0.03 0.62 -0.57 1.15 0.00 0.00 0.00 179.25 180.42 1hdu h THR 78 N 0.91 1.35 -0.35 0.00 2.02 -0.60 -2.67 112.91 113.57 1hdu h THR 78 Ca 0.18 -1.86 -0.02 0.00 0.77 0.00 0.00 66.41 65.48 1hdu h THR 78 Cb 0.41 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1hdu h THR 78 CO 0.01 0.57 0.15 1.23 0.37 0.00 0.00 175.52 177.85 1hdu h GLY 79 N 1.23 0.54 0.96 2.16 0.00 -0.34 0.02 103.07 107.65 1hdu h GLY 79 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1hdu h GLY 79 CO 0.10 0.27 0.36 -2.08 0.00 0.00 0.00 176.54 175.18 1hdu h VAL 80 N 0.42 1.12 -0.76 4.60 2.07 -1.27 -1.80 116.25 120.62 1hdu h VAL 80 Ca 0.12 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1hdu h VAL 80 Cb 0.15 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1hdu h VAL 80 CO -0.01 0.13 0.40 -0.25 0.02 0.00 0.00 177.57 177.86 1hdu h TRP 81 N 0.72 1.06 -0.16 1.57 7.01 -1.17 -2.67 115.95 122.31 1hdu h TRP 81 Ca 0.21 -0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.19 1hdu h TRP 81 Cb -0.05 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.66 1hdu h TRP 81 CO -0.04 0.75 0.06 0.74 -2.79 0.00 0.00 178.44 177.16 1hdu h PHE 82 N 1.06 0.11 -0.63 2.65 -1.00 -0.53 -0.47 116.94 118.14 1hdu h PHE 82 Ca 0.27 0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.15 1hdu h PHE 82 Cb 0.06 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 39.52 1hdu h PHE 82 CO 0.00 0.06 0.23 0.00 -1.61 0.00 0.00 178.31 177.00 1hdu h ALA 83 N 1.09 0.81 -0.16 2.45 0.00 -1.12 -0.46 119.26 121.88 1hdu h ALA 83 Ca 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1hdu h ALA 83 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1hdu h ALA 83 CO -0.06 -0.19 0.02 -0.22 0.00 0.00 0.00 179.25 178.79 1hdu h LYS 84 N 0.41 0.27 -0.63 0.00 1.63 -1.15 -3.09 116.57 114.01 1hdu h LYS 84 Ca 0.32 -0.08 0.05 0.00 -0.85 0.00 0.00 60.65 60.10 1hdu h LYS 84 Cb 0.40 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.97 1hdu h LYS 84 CO -0.32 0.46 0.42 -0.22 -3.45 0.00 0.00 179.45 176.34 1hdu h LYS 85 N 0.04 0.64 -0.46 1.90 3.64 -0.34 -1.92 116.57 120.06 1hdu h LYS 85 Ca 0.05 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1hdu h LYS 85 Cb 0.33 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1hdu h LYS 85 CO 0.00 0.42 0.25 0.74 -2.27 0.00 0.00 179.45 178.60 1hdu h PHE 86 N 0.66 0.46 0.00 1.91 0.04 -1.02 0.30 116.94 119.29 1hdu h PHE 86 Ca 0.27 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.04 1hdu h PHE 86 Cb 0.22 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1hdu h PHE 86 CO -0.00 0.24 -0.06 1.79 -0.60 0.00 0.00 178.31 179.68 1hdu h THR 87 N 0.49 0.16 0.09 -1.55 1.35 -1.36 -2.33 112.91 109.76 1hdu h THR 87 Ca 0.19 -0.70 -0.20 0.00 -0.55 0.00 0.00 66.41 65.15 1hdu h THR 87 Cb 0.07 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1hdu h THR 87 CO -0.12 0.06 -0.99 -0.33 -0.25 0.00 0.00 175.52 173.89 1hdu h GLU 88 N 0.00 0.19 0.00 4.72 5.08 -0.78 -3.38 114.58 120.40 1hdu h GLU 88 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1hdu h GLU 88 Cb 0.60 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1hdu h GLU 88 CO 0.01 1.16 0.00 -0.91 -1.00 0.00 0.00 179.01 178.26 1hdu h ASN 89 N -0.52 0.00 -2.88 1.42 4.21 -0.97 -3.42 115.58 113.42 1hdu h ASN 89 Ca -0.21 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.77 1hdu h ASN 89 Cb 1.55 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 38.78 1hdu h ASN 89 CO 0.04 0.00 0.83 -0.47 -1.29 0.00 0.00 177.43 176.54 1hdu s TYR 90 N -3.22 3.04 0.00 1.19 5.04 -0.88 -0.12 117.35 122.41 1hdu s TYR 90 Ca 0.07 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 1hdu s TYR 90 Cb 0.06 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.55 1hdu s TYR 90 CO 0.66 -3.02 0.00 0.41 -1.34 0.00 0.00 175.55 172.26 1hdu n GLY 91 N 3.68 3.02 0.29 8.97 0.00 -1.26 -4.79 105.19 115.11 1hdu n GLY 91 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1hdu n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hdu n GLN 92 N -2.00 0.47 -2.99 1.61 1.13 -0.35 -4.92 117.38 110.33 1hdu n GLN 92 Ca 0.00 0.21 -0.41 0.00 -1.94 0.00 0.00 57.00 54.86 1hdu n GLN 92 Cb 0.00 -1.30 -0.05 0.00 0.11 0.00 0.00 30.24 29.00 1hdu n GLN 92 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1hdu s ASN 93 N -6.89 6.80 0.16 1.08 3.84 0.83 -4.96 114.94 115.81 1hdu s ASN 93 Ca -0.31 0.99 -0.16 0.00 0.21 0.00 0.00 52.86 53.59 1hdu s ASN 93 Cb 0.11 -2.40 0.09 0.00 -0.55 0.00 0.00 41.25 38.50 1hdu s ASN 93 CO 0.39 -0.38 1.71 -0.65 -2.79 0.00 0.00 177.10 175.39 1hdu h PRO 94 N 7.50 0.14 0.18 0.43 0.11 -1.91 -0.85 132.00 137.60 1hdu h PRO 94 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1hdu h PRO 94 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1hdu h PRO 94 CO 0.82 0.09 -0.09 0.77 -0.21 0.00 0.00 178.00 179.39 1hdu h SER 95 N 0.15 -0.20 -0.74 -2.05 0.02 -1.96 -2.03 113.55 106.72 1hdu h SER 95 Ca 0.18 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1hdu h SER 95 Cb 0.24 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1hdu h SER 95 CO -0.28 0.03 0.25 0.15 -1.14 0.00 0.00 176.83 175.85 1hdu h PHE 96 N -0.44 1.18 -0.71 3.45 3.57 -1.89 -2.29 116.94 119.81 1hdu h PHE 96 Ca -0.02 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1hdu h PHE 96 Cb 0.34 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1hdu h PHE 96 CO -0.01 0.92 0.43 1.15 -2.23 0.00 0.00 178.31 178.57 1hdu h THR 97 N 1.10 1.05 -0.98 4.41 2.02 -1.13 -1.32 112.91 118.06 1hdu h THR 97 Ca 0.24 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1hdu h THR 97 Cb 0.28 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1hdu h THR 97 CO -0.01 0.15 0.65 0.00 0.37 0.00 0.00 175.52 176.67 1hdu h ALA 98 N 1.33 1.24 0.25 6.16 0.00 -0.95 -1.88 119.26 125.40 1hdu h ALA 98 Ca 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1hdu h ALA 98 Cb 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1hdu h ALA 98 CO -0.14 0.63 -0.12 0.82 0.00 0.00 0.00 179.25 180.44 1hdu h ILE 99 N 1.32 0.78 0.00 0.00 2.04 -0.73 -2.95 117.51 117.97 1hdu h ILE 99 Ca 0.36 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1hdu h ILE 99 Cb -0.15 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1hdu h ILE 99 CO -0.08 0.04 -0.03 -0.07 0.00 0.00 0.00 178.15 178.01 1hdu h LEU 100 N -0.44 0.00 -0.15 1.44 3.38 -1.14 0.83 115.31 119.23 1hdu h LEU 100 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hdu h LEU 100 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1hdu h LEU 100 CO 0.06 0.03 0.00 0.44 0.09 0.00 0.00 178.44 179.06 1hdu h ASP 101 N 0.00 0.00 0.00 -0.43 3.32 -1.18 -3.33 116.42 114.80 1hdu h ASP 101 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1hdu h ASP 101 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1hdu h ASP 101 CO 0.00 0.00 -1.17 -1.20 -1.72 0.00 0.00 179.24 175.15 1hdu n SER 102 N -2.33 4.24 -4.11 6.45 7.64 -0.85 -5.01 113.62 119.65 1hdu n SER 102 Ca 0.05 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.85 1hdu n SER 102 Cb 0.40 0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 64.48 1hdu n SER 102 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1hdu s MET 103 N -2.18 0.73 0.11 1.43 -1.94 0.23 -4.30 119.30 113.37 1hdu s MET 103 Ca -0.01 -1.29 0.02 0.00 -1.71 0.00 0.00 55.69 52.70 1hdu s MET 103 Cb 0.02 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 37.04 1hdu s MET 103 CO 0.14 -0.17 0.17 -0.51 -0.01 0.00 0.00 175.02 174.64 1hdu s ASP 104 N -2.97 5.94 -0.12 3.03 1.01 -0.94 -4.25 116.67 118.38 1hdu s ASP 104 Ca 0.13 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.51 1hdu s ASP 104 Cb 0.08 -1.71 0.01 0.00 1.01 0.00 0.00 42.92 42.31 1hdu s ASP 104 CO -0.06 0.13 -0.22 -0.63 0.21 0.00 0.00 175.17 174.60 1hdu s ILE 105 N -1.57 1.99 -0.19 0.77 1.01 -0.68 -0.84 121.20 121.68 1hdu s ILE 105 Ca 0.32 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.98 1hdu s ILE 105 Cb -0.12 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 1hdu s ILE 105 CO 0.25 0.54 -0.03 -0.36 0.00 0.00 0.00 174.94 175.34 1hdu s PHE 106 N 0.64 2.99 -0.17 3.97 0.40 0.21 -0.94 117.98 125.08 1hdu s PHE 106 Ca -0.12 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1hdu s PHE 106 Cb -0.16 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.34 1hdu s PHE 106 CO 0.02 -0.28 -0.17 -1.17 0.70 0.00 0.00 175.22 174.33 1hdu s LEU 107 N 0.95 2.05 -0.41 -0.37 2.96 0.07 -1.14 118.68 122.78 1hdu s LEU 107 Ca 0.00 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.20 1hdu s LEU 107 Cb -0.14 -1.37 0.09 0.00 0.50 0.00 0.00 46.19 45.27 1hdu s LEU 107 CO 0.01 -0.04 0.23 -0.70 -1.32 0.00 0.00 176.35 174.54 1hdu s GLU 108 N 1.35 2.42 0.10 1.98 2.12 -0.05 -0.51 118.70 126.11 1hdu s GLU 108 Ca 0.04 -1.58 -0.13 0.00 0.36 0.00 0.00 54.97 53.66 1hdu s GLU 108 Cb -0.13 -3.70 -0.12 0.00 0.26 0.00 0.00 34.13 30.43 1hdu s GLU 108 CO -0.12 -0.99 1.35 0.82 -0.54 0.00 0.00 175.26 175.79 1hdu h ILE 109 N 6.19 1.29 -3.27 -3.70 2.04 -1.82 -0.03 117.51 118.20 1hdu h ILE 109 Ca -0.20 -1.80 -0.63 0.00 1.00 0.00 0.00 64.86 63.23 1hdu h ILE 109 Cb 1.07 1.81 -0.41 0.00 -0.74 0.00 0.00 36.82 38.56 1hdu h ILE 109 CO 0.74 0.58 -0.67 -0.69 0.00 0.00 0.00 178.15 178.10 1hdu s VAL 110 N -3.97 2.14 -0.07 1.67 1.01 -1.26 -4.15 120.40 115.78 1hdu s VAL 110 Ca -0.11 -2.95 0.21 0.00 0.00 0.00 0.00 61.98 59.13 1hdu s VAL 110 Cb 0.09 -2.50 0.20 0.00 0.00 0.00 0.00 36.38 34.18 1hdu s VAL 110 CO 0.88 -0.81 1.67 0.74 0.00 0.00 0.00 175.10 177.58 1hdu h THR 111 N 5.53 0.53 -2.47 3.92 2.02 -1.49 -3.36 112.91 117.59 1hdu h THR 111 Ca -0.06 -1.43 -0.59 0.00 0.77 0.00 0.00 66.41 65.09 1hdu h THR 111 Cb 0.92 2.01 -0.40 0.00 -1.74 0.00 0.00 68.15 68.94 1hdu h THR 111 CO 0.61 0.26 -0.81 -3.20 0.37 0.00 0.00 175.52 172.75 1hdu n ASN 112 N -3.27 1.55 0.09 4.18 4.05 -1.14 -4.89 115.26 115.83 1hdu n ASN 112 Ca 0.01 -2.90 0.02 0.00 0.45 0.00 0.00 54.58 52.16 1hdu n ASN 112 Cb 0.54 -0.65 0.36 0.00 1.23 0.00 0.00 39.78 41.26 1hdu n ASN 112 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1hdu h PRO 113 N 4.93 0.30 -0.49 1.20 0.13 -1.88 -1.75 132.00 134.43 1hdu h PRO 113 Ca 0.18 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 65.13 1hdu h PRO 113 Cb 0.81 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1hdu h PRO 113 CO 0.59 0.43 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.74 1hdu h ASN 114 N 0.28 0.97 -0.52 1.44 -0.26 -1.96 -1.46 115.58 114.07 1hdu h ASN 114 Ca 0.06 -0.37 -0.10 0.00 -0.56 0.00 0.00 56.30 55.34 1hdu h ASN 114 Cb 0.39 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1hdu h ASN 114 CO 0.02 1.11 -0.05 1.23 -1.06 0.00 0.00 177.43 178.68 1hdu h GLY 115 N 0.82 1.03 0.98 2.83 0.00 -1.73 -2.47 103.07 104.53 1hdu h GLY 115 Ca 0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 1hdu h GLY 115 CO 0.05 0.73 0.27 -2.75 0.00 0.00 0.00 176.54 174.84 1hdu h PHE 116 N 0.82 0.77 -0.77 5.60 3.57 -1.13 -1.31 116.94 124.49 1hdu h PHE 116 Ca 0.14 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1hdu h PHE 116 Cb 0.59 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1hdu h PHE 116 CO 0.04 0.59 0.44 0.00 -2.23 0.00 0.00 178.31 177.15 1hdu h ALA 117 N 1.11 0.98 -0.41 2.41 0.00 -1.20 -2.49 119.26 119.66 1hdu h ALA 117 Ca 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1hdu h ALA 117 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1hdu h ALA 117 CO -0.03 0.47 0.05 0.35 0.00 0.00 0.00 179.25 180.10 1hdu h PHE 118 N 1.06 0.65 0.00 0.00 3.57 -0.96 -1.85 116.94 119.40 1hdu h PHE 118 Ca 0.27 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1hdu h PHE 118 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1hdu h PHE 118 CO -0.00 0.60 -0.09 1.79 -2.23 0.00 0.00 178.31 178.37 1hdu h THR 119 N 0.61 0.29 0.01 4.41 1.35 -0.79 -0.04 112.91 118.75 1hdu h THR 119 Ca 0.13 -0.66 -0.28 0.00 -0.55 0.00 0.00 66.41 65.05 1hdu h THR 119 Cb 0.31 1.51 -0.04 0.00 -1.73 0.00 0.00 68.15 68.19 1hdu h THR 119 CO 0.01 0.09 -1.60 0.45 -0.25 0.00 0.00 175.52 174.22 1hdu h HIS 120 N 0.00 0.04 0.01 4.73 3.86 -1.24 -3.21 115.15 119.34 1hdu h HIS 120 Ca -0.00 -0.03 -0.38 0.00 -1.16 0.00 0.00 60.37 58.81 1hdu h HIS 120 Cb 0.50 -0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.90 1hdu h HIS 120 CO 0.00 1.05 -2.38 -1.13 0.86 0.00 0.00 177.93 176.33 1hdu n SER 121 N -3.13 1.28 0.00 2.45 3.41 -0.76 -4.94 113.62 111.93 1hdu n SER 121 Ca -0.15 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1hdu n SER 121 Cb 1.03 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.03 1hdu n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hdu n GLU 122 N -3.10 0.00 -3.69 4.33 1.02 -0.13 -5.04 120.64 114.03 1hdu n GLU 122 Ca -0.39 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.45 1hdu n GLU 122 Cb 1.05 -0.64 -0.15 0.00 -0.02 0.00 0.00 31.44 31.68 1hdu n GLU 122 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1hdu s ASN 123 N -3.39 3.85 0.56 1.62 3.84 -0.61 -4.99 114.94 115.83 1hdu s ASN 123 Ca 0.00 -1.50 0.27 0.00 0.21 0.00 0.00 52.86 51.83 1hdu s ASN 123 Cb 0.00 -0.74 1.51 0.00 -0.55 0.00 0.00 41.25 41.47 1hdu s ASN 123 CO 0.00 -0.41 2.03 -0.09 -2.79 0.00 0.00 177.10 175.83 1hdu h ARG 124 N 8.17 0.00 -0.53 0.43 9.65 -1.78 -2.41 114.38 127.90 1hdu h ARG 124 Ca -0.15 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1hdu h ARG 124 Cb 1.02 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 1hdu h ARG 124 CO 0.46 0.00 0.01 1.28 2.80 0.00 0.00 179.97 184.52 1hdu n LEU 125 N -4.03 5.48 -4.72 3.80 4.77 -1.26 -4.61 117.00 116.42 1hdu n LEU 125 Ca 0.06 -2.97 -0.42 0.00 -0.03 0.00 0.00 56.01 52.64 1hdu n LEU 125 Cb 0.48 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1hdu n LEU 125 CO 0.31 0.65 1.02 0.86 -1.33 0.00 0.00 177.39 178.90 1hdu s TRP 126 N -2.80 3.27 -0.19 -1.77 -0.11 -0.91 -4.82 118.94 111.61 1hdu s TRP 126 Ca 0.53 1.07 0.02 0.00 1.22 0.00 0.00 56.10 58.93 1hdu s TRP 126 Cb 0.41 -3.63 -0.13 0.00 -1.50 0.00 0.00 33.47 28.62 1hdu s TRP 126 CO 0.15 -2.12 -0.16 -2.13 -4.62 0.00 0.00 176.95 168.06 1hdu n ARG 127 N 3.58 0.54 -1.49 5.86 0.63 -1.26 -1.57 116.66 122.94 1hdu n ARG 127 Ca 0.10 0.11 -0.22 0.00 -0.92 0.00 0.00 57.85 56.91 1hdu n ARG 127 Cb 0.43 -1.39 0.15 0.00 0.45 0.00 0.00 32.46 32.10 1hdu n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1hdu n LYS 128 N -3.04 -0.92 0.00 -0.14 5.02 -1.26 -3.27 118.16 114.55 1hdu n LYS 128 Ca -0.34 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1hdu n LYS 128 Cb 0.87 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1hdu n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1hdu n THR 129 N -3.35 0.00 -1.14 -0.18 -2.24 -0.31 -4.45 114.28 102.61 1hdu n THR 129 Ca 0.13 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 1hdu n THR 129 Cb 0.44 -1.87 0.13 0.00 -2.10 0.00 0.00 70.33 66.93 1hdu n THR 129 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1hdu n ARG 130 N -0.89 1.19 -2.36 -0.78 3.00 -1.26 -3.94 116.66 111.62 1hdu n ARG 130 Ca 0.00 -2.47 -0.37 0.00 -0.00 0.00 0.00 57.85 55.01 1hdu n ARG 130 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 32.46 31.01 1hdu n ARG 130 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1hdu s SER 131 N -2.75 6.42 0.09 6.15 0.01 -1.26 -4.61 113.70 117.75 1hdu s SER 131 Ca 0.30 2.21 0.07 0.00 1.31 0.00 0.00 55.95 59.85 1hdu s SER 131 Cb 0.26 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1hdu s SER 131 CO 0.03 -0.74 -0.14 -0.69 0.41 0.00 0.00 173.24 172.11 1hdu s VAL 132 N -1.57 3.09 -0.07 3.43 1.01 -1.26 -0.78 120.40 124.24 1hdu s VAL 132 Ca 0.61 -1.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1hdu s VAL 132 Cb -0.26 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1hdu s VAL 132 CO 0.33 0.18 0.17 -0.89 0.00 0.00 0.00 175.10 174.89 1hdu s THR 133 N -1.11 -0.02 0.58 3.92 2.01 -1.26 -5.04 115.64 114.72 1hdu s THR 133 Ca 0.18 0.07 0.28 0.00 0.31 0.00 0.00 61.69 62.53 1hdu s THR 133 Cb -0.11 -0.26 0.35 0.00 0.01 0.00 0.00 72.50 72.49 1hdu s THR 133 CO 0.10 0.03 2.21 0.77 -0.69 0.00 0.00 174.62 177.04 1hdu h SER 134 N 6.43 0.00 0.04 3.53 4.64 -2.00 -2.20 113.55 123.98 1hdu h SER 134 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1hdu h SER 134 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1hdu h SER 134 CO 0.41 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.83 1hdu n SER 135 N -3.94 0.00 -3.60 4.97 3.41 -1.26 -4.73 113.62 108.46 1hdu n SER 135 Ca -0.02 0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.91 1hdu n SER 135 Cb 0.14 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.66 1hdu n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hdu s SER 136 N -2.82 -0.35 0.00 4.04 0.15 -0.83 -5.02 113.70 108.87 1hdu s SER 136 Ca 0.01 -0.20 0.23 0.00 0.70 0.00 0.00 55.95 56.69 1hdu s SER 136 Cb 0.01 0.52 0.09 0.00 -1.71 0.00 0.00 66.02 64.93 1hdu s SER 136 CO 0.02 -0.89 1.17 0.18 1.20 0.00 0.00 173.24 174.92 1hdu n LEU 137 N -0.37 2.42 -4.86 3.45 4.32 -1.26 -4.54 117.00 116.16 1hdu n LEU 137 Ca -0.09 -0.85 -0.32 0.00 -0.02 0.00 0.00 56.01 54.73 1hdu n LEU 137 Cb 0.62 -0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.37 1hdu n LEU 137 CO 0.12 0.43 0.46 0.00 -1.22 0.00 0.00 177.39 177.18 1hdu s VAL 139 N -2.20 3.17 0.00 0.00 1.01 -1.26 -4.65 120.40 116.47 1hdu s VAL 139 Ca 0.54 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1hdu s VAL 139 Cb -0.10 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1hdu s VAL 139 CO 0.24 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1hdu n GLY 140 N 0.60 -1.82 3.14 4.51 0.00 0.04 -4.92 105.19 106.74 1hdu n GLY 140 Ca -0.14 -1.51 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 1hdu n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hdu s VAL 141 N -3.06 1.03 -0.58 1.61 1.01 -1.26 -4.82 120.40 114.32 1hdu s VAL 141 Ca 0.00 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 60.64 1hdu s VAL 141 Cb 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.43 1hdu s VAL 141 CO 0.00 -0.09 1.39 -0.62 0.00 0.00 0.00 175.10 175.78 1hdu s ASP 142 N -1.30 6.15 0.64 3.32 -1.08 0.33 -1.16 116.67 123.55 1hdu s ASP 142 Ca -0.00 0.19 0.36 0.00 -0.52 0.00 0.00 52.55 52.57 1hdu s ASP 142 Cb -0.08 -2.55 2.00 0.00 -1.46 0.00 0.00 42.92 40.82 1hdu s ASP 142 CO 0.01 -1.71 2.20 0.00 0.52 0.00 0.00 175.17 176.19 1hdu h ALA 143 N 10.88 1.35 -0.71 3.66 0.00 -1.86 -1.23 119.26 131.35 1hdu h ALA 143 Ca -0.27 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 1hdu h ALA 143 Cb 1.09 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1hdu h ALA 143 CO 1.19 -0.14 0.33 -1.71 0.00 0.00 0.00 179.25 178.93 1hdu n ASN 144 N -3.35 4.26 0.00 0.00 5.15 -1.26 -3.43 115.26 116.62 1hdu n ASN 144 Ca -0.02 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1hdu n ASN 144 Cb 0.20 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 1hdu n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1hdu n ARG 145 N -0.32 0.13 0.00 1.20 5.12 -0.48 -3.44 116.66 118.88 1hdu n ARG 145 Ca 0.40 -0.36 0.12 0.00 -1.93 0.00 0.00 57.85 56.08 1hdu n ARG 145 Cb 1.33 -0.56 0.09 0.00 -1.16 0.00 0.00 32.46 32.16 1hdu n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1hdu n ASN 146 N -0.03 2.62 -4.86 0.55 4.05 -1.09 -4.42 115.26 112.07 1hdu n ASN 146 Ca 0.00 -1.81 -0.31 0.00 0.45 0.00 0.00 54.58 52.91 1hdu n ASN 146 Cb 0.35 0.15 -0.01 0.00 1.23 0.00 0.00 39.78 41.50 1hdu n ASN 146 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1hdu s TRP 147 N -2.16 3.54 -1.44 1.20 0.52 -0.06 -0.43 118.94 120.11 1hdu s TRP 147 Ca 0.25 1.29 -0.13 0.00 0.02 0.00 0.00 56.10 57.53 1hdu s TRP 147 Cb 0.19 -2.68 0.05 0.00 -1.15 0.00 0.00 33.47 29.89 1hdu s TRP 147 CO 0.39 -0.46 2.20 -3.47 0.02 0.00 0.00 176.95 175.63 1hdu n ASP 148 N -2.08 4.19 -3.33 2.95 2.03 -1.26 -4.27 116.55 114.78 1hdu n ASP 148 Ca 0.05 -2.87 -0.12 0.00 0.52 0.00 0.00 54.79 52.37 1hdu n ASP 148 Cb 0.54 -1.63 -0.07 0.00 -0.72 0.00 0.00 41.12 39.24 1hdu n ASP 148 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1hdu s ALA 149 N 2.76 -0.95 -1.63 -1.67 0.00 -1.26 -4.79 121.76 114.21 1hdu s ALA 149 Ca 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1hdu s ALA 149 Cb 0.14 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1hdu s ALA 149 CO -0.08 -1.86 0.00 0.41 0.00 0.00 0.00 175.76 174.23 1hdu n GLY 150 N 5.04 0.06 3.61 0.00 0.00 -1.26 -1.20 105.19 111.43 1hdu n GLY 150 Ca 0.03 -0.13 -0.48 0.00 0.00 0.00 0.00 46.02 45.44 1hdu n GLY 150 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1hdu n PHE 151 N -3.70 1.57 -0.61 1.61 7.35 -1.26 -1.78 117.46 120.63 1hdu n PHE 151 Ca -0.21 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1hdu n PHE 151 Cb 0.65 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 38.14 1hdu n PHE 151 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hdu n GLY 152 N 2.16 1.57 3.94 7.13 0.00 -1.26 -4.98 105.19 113.76 1hdu n GLY 152 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1hdu n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hdu s LYS 153 N -0.06 0.62 0.39 1.61 1.02 -0.73 -4.94 119.74 117.64 1hdu s LYS 153 Ca 0.00 -0.56 -0.25 0.00 0.02 0.00 0.00 55.97 55.18 1hdu s LYS 153 Cb 0.00 -1.89 -0.12 0.00 -0.52 0.00 0.00 37.83 35.30 1hdu s LYS 153 CO 0.00 -2.39 0.92 0.00 -0.92 0.00 0.00 175.35 172.96 1hdu n ALA 154 N -3.71 -0.24 0.00 5.17 0.00 -1.26 -3.40 120.51 117.07 1hdu n ALA 154 Ca 0.16 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1hdu n ALA 154 Cb 0.59 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1hdu n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hdu n GLY 155 N 1.31 0.88 3.20 0.00 0.00 -1.26 -3.22 105.19 106.09 1hdu n GLY 155 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1hdu n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hdu s ALA 156 N -2.00 -0.50 -0.04 4.61 0.00 -1.22 -3.55 121.76 119.06 1hdu s ALA 156 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.84 1hdu s ALA 156 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1hdu s ALA 156 CO 0.00 -0.33 0.18 0.45 0.00 0.00 0.00 175.76 176.06 1hdu s SER 157 N -1.83 6.38 0.00 0.00 0.15 -0.72 -4.94 113.70 112.75 1hdu s SER 157 Ca -0.08 0.39 0.25 0.00 0.70 0.00 0.00 55.95 57.21 1hdu s SER 157 Cb -0.03 -2.03 0.72 0.00 -1.71 0.00 0.00 66.02 62.97 1hdu s SER 157 CO -0.01 0.30 1.55 -1.54 1.20 0.00 0.00 173.24 174.74 1hdu n SER 158 N 1.25 2.09 -4.63 5.45 3.41 -1.26 -2.04 113.62 117.89 1hdu n SER 158 Ca -0.13 -1.72 -0.39 0.00 -0.26 0.00 0.00 58.87 56.37 1hdu n SER 158 Cb 0.53 -0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.34 1hdu n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hdu s SER 159 N -1.82 6.30 0.54 4.04 0.15 -1.26 -4.97 113.70 116.69 1hdu s SER 159 Ca 0.34 0.34 0.32 0.00 0.70 0.00 0.00 55.95 57.66 1hdu s SER 159 Cb 0.20 -2.21 1.49 0.00 -1.71 0.00 0.00 66.02 63.79 1hdu s SER 159 CO 0.31 -0.13 1.87 -0.65 1.20 0.00 0.00 173.24 175.84 1hdu h PRO 160 N 7.86 0.00 -0.00 5.44 0.11 -1.94 0.17 132.00 143.63 1hdu h PRO 160 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1hdu h PRO 160 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1hdu h PRO 160 CO 0.67 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.39 1hdu s SER 162 N -2.91 6.51 0.29 0.00 0.15 0.05 -4.91 113.70 112.87 1hdu s SER 162 Ca 0.16 1.93 0.25 0.00 0.70 0.00 0.00 55.95 59.00 1hdu s SER 162 Cb 0.19 -2.56 1.03 0.00 -1.71 0.00 0.00 66.02 62.96 1hdu s SER 162 CO 0.54 -0.66 1.75 -0.08 1.20 0.00 0.00 173.24 175.98 1hdu h GLU 163 N 1.85 0.00 -0.10 5.44 4.81 -1.90 -2.77 114.58 121.91 1hdu h GLU 163 Ca -0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 1hdu h GLU 163 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1hdu h GLU 163 CO 0.60 0.00 -0.20 -2.37 -0.73 0.00 0.00 179.01 176.31 1hdu n THR 164 N -2.34 2.18 -1.73 0.32 5.66 -1.26 -4.58 114.28 112.53 1hdu n THR 164 Ca 0.02 -2.67 -0.42 0.00 -3.05 0.00 0.00 64.05 57.93 1hdu n THR 164 Cb 0.24 -0.26 -0.03 0.00 -1.55 0.00 0.00 70.33 68.73 1hdu n THR 164 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1hdu s TYR 165 N -3.08 2.60 -1.65 1.09 5.04 -1.05 -1.76 117.35 118.54 1hdu s TYR 165 Ca 0.38 0.20 0.29 0.00 -2.44 0.00 0.00 57.07 55.50 1hdu s TYR 165 Cb 0.34 -4.15 1.22 0.00 0.35 0.00 0.00 41.96 39.73 1hdu s TYR 165 CO -0.01 -4.51 1.86 -2.39 -1.34 0.00 0.00 175.55 169.16 1hdu n HIS 166 N 4.68 0.00 0.00 4.97 1.44 -0.86 -0.52 115.22 124.93 1hdu n HIS 166 Ca 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.88 1hdu n HIS 166 Cb 0.36 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.29 1hdu n HIS 166 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1hdu n GLY 167 N 1.28 -0.55 0.23 -1.39 0.00 -1.26 -4.27 105.19 99.23 1hdu n GLY 167 Ca 0.14 -1.72 0.02 0.00 0.00 0.00 0.00 46.02 44.46 1hdu n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hdu h LYS 168 N 0.00 0.21 -2.34 1.61 1.57 -1.98 -3.46 116.57 112.18 1hdu h LYS 168 Ca 0.00 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1hdu h LYS 168 Cb 0.00 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.13 1hdu h LYS 168 CO 0.00 0.40 0.46 1.52 -0.57 0.00 0.00 179.45 181.26 1hdu s TYR 169 N -4.60 -0.37 0.24 -1.35 -0.85 -1.26 -5.10 117.35 104.06 1hdu s TYR 169 Ca -0.05 0.24 -0.31 0.00 -0.52 0.00 0.00 57.07 56.43 1hdu s TYR 169 Cb 0.15 0.54 -0.13 0.00 0.38 0.00 0.00 41.96 42.90 1hdu s TYR 169 CO 0.74 -0.57 1.44 0.00 -1.52 0.00 0.00 175.55 175.63 1hdu n ALA 170 N -0.22 1.31 -1.51 9.51 0.00 -1.26 -1.80 120.51 126.53 1hdu n ALA 170 Ca -0.10 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.63 1hdu n ALA 170 Cb 0.62 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 1hdu n ALA 170 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hdu n ASN 171 N 2.24 -4.41 0.21 0.00 5.03 0.42 -4.89 115.26 113.86 1hdu n ASN 171 Ca 0.12 0.25 0.06 0.00 0.87 0.00 0.00 54.58 55.88 1hdu n ASN 171 Cb 0.32 -3.11 0.47 0.00 -1.02 0.00 0.00 39.78 36.43 1hdu n ASN 171 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1hdu h SER 172 N 0.00 0.00 -3.36 6.41 4.64 -1.59 -3.41 113.55 116.24 1hdu h SER 172 Ca -0.26 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.50 1hdu h SER 172 Cb 0.88 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.92 1hdu h SER 172 CO 0.37 0.29 0.18 -1.61 -0.87 0.00 0.00 176.83 175.19 1hdu s GLU 173 N -4.06 4.42 0.48 4.77 0.41 -1.26 -4.94 118.70 118.51 1hdu s GLU 173 Ca -0.02 0.96 0.18 0.00 -0.41 0.00 0.00 54.97 55.68 1hdu s GLU 173 Cb 0.13 -3.48 1.16 0.00 -1.78 0.00 0.00 34.13 30.16 1hdu s GLU 173 CO 0.67 -0.03 2.04 -0.24 -0.49 0.00 0.00 175.26 177.21 1hdu h VAL 174 N 4.86 0.98 -0.07 2.63 3.04 -1.91 0.23 116.25 126.02 1hdu h VAL 174 Ca -0.39 -0.51 -0.05 0.00 -1.01 0.00 0.00 66.70 64.74 1hdu h VAL 174 Cb 1.19 1.28 -0.01 0.00 -2.01 0.00 0.00 31.29 31.74 1hdu h VAL 174 CO 0.77 0.14 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.94 1hdu h GLU 175 N 0.00 0.11 0.03 4.17 3.07 -1.90 -0.72 114.58 119.33 1hdu h GLU 175 Ca -0.00 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.71 1hdu h GLU 175 Cb 0.27 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1hdu h GLU 175 CO 0.02 0.31 -0.64 0.28 -1.40 0.00 0.00 179.01 177.58 1hdu h VAL 176 N 0.10 1.41 -0.29 3.13 2.07 -1.53 -3.33 116.25 117.80 1hdu h VAL 176 Ca 0.02 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1hdu h VAL 176 Cb 0.42 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1hdu h VAL 176 CO 0.03 0.54 0.15 0.50 0.02 0.00 0.00 177.57 178.81 1hdu h LYS 177 N -0.86 0.39 -0.79 1.57 3.64 -0.94 -1.72 116.57 117.86 1hdu h LYS 177 Ca -0.16 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1hdu h LYS 177 Cb 1.25 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1hdu h LYS 177 CO -0.04 0.30 0.52 0.77 -2.27 0.00 0.00 179.45 178.72 1hdu h SER 178 N 0.40 0.88 -0.01 4.20 0.02 -1.26 0.27 113.55 118.04 1hdu h SER 178 Ca 0.10 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1hdu h SER 178 Cb 0.02 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.35 1hdu h SER 178 CO -0.02 0.62 -0.33 0.40 -1.14 0.00 0.00 176.83 176.36 1hdu h ILE 179 N 1.03 1.50 -0.34 3.27 2.04 -1.46 -2.76 117.51 120.79 1hdu h ILE 179 Ca 0.30 -1.92 0.07 0.00 1.00 0.00 0.00 64.86 64.31 1hdu h ILE 179 Cb -0.05 2.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 1hdu h ILE 179 CO -0.08 0.54 -0.11 0.58 0.00 0.00 0.00 178.15 179.09 1hdu h VAL 180 N -0.36 0.61 -0.62 1.67 2.07 -0.92 0.03 116.25 118.74 1hdu h VAL 180 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1hdu h VAL 180 Cb 1.06 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1hdu h VAL 180 CO 0.07 0.00 0.23 0.44 0.02 0.00 0.00 177.57 178.32 1hdu h ASP 181 N -0.03 0.87 -0.61 0.57 3.32 -1.04 -1.12 116.42 118.37 1hdu h ASP 181 Ca 0.17 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1hdu h ASP 181 Cb 0.28 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1hdu h ASP 181 CO -0.37 0.82 0.22 0.15 -1.72 0.00 0.00 179.24 178.34 1hdu h PHE 182 N 0.87 0.95 -0.30 4.55 3.04 -1.09 -0.64 116.94 124.31 1hdu h PHE 182 Ca 0.20 -0.08 -0.18 0.00 3.98 0.00 0.00 57.97 61.89 1hdu h PHE 182 Cb 0.23 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.46 1hdu h PHE 182 CO 0.01 0.77 -0.52 0.28 -2.02 0.00 0.00 178.31 176.84 1hdu h VAL 183 N 0.86 1.27 -0.62 1.41 2.07 -0.90 -2.34 116.25 118.01 1hdu h VAL 183 Ca 0.20 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 1hdu h VAL 183 Cb 0.24 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1hdu h VAL 183 CO -0.01 0.56 0.05 0.11 0.02 0.00 0.00 177.57 178.30 1hdu h LYS 184 N 0.68 1.06 -0.40 1.57 1.57 -1.08 -1.87 116.57 118.11 1hdu h LYS 184 Ca 0.02 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1hdu h LYS 184 Cb 1.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1hdu h LYS 184 CO 0.12 1.01 0.13 -0.91 -0.57 0.00 0.00 179.45 179.23 1hdu h ASN 185 N 0.97 0.58 0.33 0.86 2.35 -1.08 -3.15 115.58 116.44 1hdu h ASN 185 Ca 0.18 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1hdu h ASN 185 Cb 0.50 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1hdu h ASN 185 CO 0.02 0.62 -0.18 -0.74 -1.65 0.00 0.00 177.43 175.50 1hdu h HIS 186 N 0.50 -0.46 0.00 1.19 2.76 -1.32 -3.46 115.15 114.36 1hdu h HIS 186 Ca 0.13 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1hdu h HIS 186 Cb 0.24 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1hdu h HIS 186 CO 0.01 -0.28 0.00 0.41 -1.30 0.00 0.00 177.93 176.77 1hdu n GLY 187 N -1.30 0.63 2.39 5.26 0.00 -0.71 -4.85 105.19 106.61 1hdu n GLY 187 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 1hdu n GLY 187 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hdu n ASN 188 N 0.00 3.51 -4.75 1.61 5.15 -1.26 -5.05 115.26 114.47 1hdu n ASN 188 Ca 0.00 -3.08 -0.39 0.00 -0.60 0.00 0.00 54.58 50.51 1hdu n ASN 188 Cb 0.00 -0.41 -0.05 0.00 -0.53 0.00 0.00 39.78 38.78 1hdu n ASN 188 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1hdu s PHE 189 N -3.64 3.67 -0.08 1.20 0.08 -1.26 -0.68 117.98 117.27 1hdu s PHE 189 Ca 0.41 1.24 0.13 0.00 0.12 0.00 0.00 56.93 58.83 1hdu s PHE 189 Cb 0.38 -2.68 -0.20 0.00 -0.57 0.00 0.00 43.02 39.96 1hdu s PHE 189 CO -0.01 0.28 0.18 1.63 -0.10 0.00 0.00 175.22 177.20 1hdu n LYS 190 N 2.96 1.14 -4.09 0.44 4.76 0.49 -4.68 118.16 119.18 1hdu n LYS 190 Ca -0.05 -0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.18 1hdu n LYS 190 Cb 0.51 -1.35 -0.12 0.00 -1.84 0.00 0.00 35.03 32.24 1hdu n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1hdu s ALA 191 N -2.66 0.63 -0.18 7.82 0.00 -1.18 -3.18 121.76 123.01 1hdu s ALA 191 Ca -0.06 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1hdu s ALA 191 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.26 1hdu s ALA 191 CO 0.58 0.02 0.14 0.12 0.00 0.00 0.00 175.76 176.61 1hdu s PHE 192 N -1.19 0.03 -0.16 0.00 2.19 0.34 -1.17 117.98 118.01 1hdu s PHE 192 Ca -0.07 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.07 1hdu s PHE 192 Cb -0.09 -0.57 0.00 0.00 -1.31 0.00 0.00 43.02 41.05 1hdu s PHE 192 CO 0.01 -0.54 -0.16 -0.51 1.83 0.00 0.00 175.22 175.85 1hdu s LEU 193 N 2.20 2.44 -0.19 6.12 1.02 0.66 -1.36 118.68 129.59 1hdu s LEU 193 Ca 0.04 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 1hdu s LEU 193 Cb -0.16 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.50 1hdu s LEU 193 CO -0.10 0.08 -0.14 -0.55 0.02 0.00 0.00 176.35 175.66 1hdu s SER 194 N 0.86 3.61 -0.17 2.29 0.15 -0.64 -1.18 113.70 118.63 1hdu s SER 194 Ca -0.04 -0.54 -0.08 0.00 0.70 0.00 0.00 55.95 55.99 1hdu s SER 194 Cb -0.15 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 1hdu s SER 194 CO -0.01 0.00 0.10 -0.63 1.20 0.00 0.00 173.24 173.91 1hdu s ILE 195 N 1.30 5.19 0.15 6.45 1.01 -0.33 -2.23 121.20 132.73 1hdu s ILE 195 Ca 0.04 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.82 1hdu s ILE 195 Cb -0.14 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1hdu s ILE 195 CO -0.08 0.50 0.08 1.41 0.00 0.00 0.00 174.94 176.85 1hdu n HIS 196 N 3.06 -0.10 -3.57 3.97 8.25 0.74 -3.90 115.22 123.66 1hdu n HIS 196 Ca -0.17 -1.07 -0.15 0.00 -0.26 0.00 0.00 57.72 56.07 1hdu n HIS 196 Cb 0.53 0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 1hdu n HIS 196 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hdu s SER 197 N -1.97 -0.47 0.35 0.41 1.04 -1.26 -0.73 113.70 111.07 1hdu s SER 197 Ca 0.11 0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.86 1hdu s SER 197 Cb 0.01 0.49 -0.07 0.00 0.10 0.00 0.00 66.02 66.55 1hdu s SER 197 CO 0.08 -0.69 0.04 -0.72 0.98 0.00 0.00 173.24 172.93 1hdu s TYR 198 N -2.18 2.13 0.00 5.02 1.13 -1.26 -4.89 117.35 117.30 1hdu s TYR 198 Ca -0.07 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 54.74 1hdu s TYR 198 Cb -0.01 -1.41 0.00 0.00 -1.10 0.00 0.00 41.96 39.44 1hdu s TYR 198 CO 0.01 0.15 0.00 0.43 -2.51 0.00 0.00 175.55 173.63 1hdu n SER 199 N -0.76 0.00 -3.21 -0.18 7.64 -0.03 -4.87 113.62 112.21 1hdu n SER 199 Ca -0.03 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.78 1hdu n SER 199 Cb 0.66 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.88 1hdu n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hdu n GLN 200 N 0.00 -1.47 -4.04 1.43 6.02 -0.07 -4.86 117.38 114.38 1hdu n GLN 200 Ca 0.00 1.26 -0.09 0.00 -0.01 0.00 0.00 57.00 58.17 1hdu n GLN 200 Cb 0.00 -5.27 -0.11 0.00 1.02 0.00 0.00 30.24 25.88 1hdu n GLN 200 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1hdu s LEU 201 N -4.45 2.35 -0.20 1.08 1.43 -0.44 -2.44 118.68 116.00 1hdu s LEU 201 Ca 0.09 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1hdu s LEU 201 Cb -0.02 0.12 0.05 0.00 0.03 0.00 0.00 46.19 46.37 1hdu s LEU 201 CO 0.77 -0.42 -0.06 -0.22 0.23 0.00 0.00 176.35 176.64 1hdu s LEU 202 N -2.13 2.18 0.13 1.79 0.20 -0.43 -0.63 118.68 119.79 1hdu s LEU 202 Ca -0.05 -0.94 0.08 0.00 0.69 0.00 0.00 54.13 53.91 1hdu s LEU 202 Cb -0.02 -1.10 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1hdu s LEU 202 CO -0.05 -0.20 -0.12 -0.76 -0.29 0.00 0.00 176.35 174.93 1hdu s LEU 203 N 1.47 2.91 0.24 -0.68 2.01 0.03 -2.42 118.68 122.24 1hdu s LEU 203 Ca -0.03 -0.50 0.03 0.00 0.01 0.00 0.00 54.13 53.64 1hdu s LEU 203 Cb -0.17 -1.68 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 1hdu s LEU 203 CO -0.07 0.15 0.02 -0.72 1.01 0.00 0.00 176.35 176.74 1hdu s TYR 204 N -1.35 1.54 0.73 0.29 -0.85 -0.91 -1.29 117.35 115.50 1hdu s TYR 204 Ca 0.21 -0.99 -0.16 0.00 -0.52 0.00 0.00 57.07 55.62 1hdu s TYR 204 Cb -0.10 -0.91 0.01 0.00 0.38 0.00 0.00 41.96 41.34 1hdu s TYR 204 CO 0.13 -0.12 0.95 -2.30 -1.52 0.00 0.00 175.55 172.69 1hdu n PRO 205 N -0.43 0.46 -4.25 -3.49 -0.02 -1.26 -1.41 135.00 124.60 1hdu n PRO 205 Ca -0.04 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.41 1hdu n PRO 205 Cb 0.64 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 1hdu n PRO 205 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1hdu s TYR 206 N -1.85 2.59 -0.08 6.00 2.02 -1.26 -4.58 117.35 120.19 1hdu s TYR 206 Ca 0.73 -0.48 0.10 0.00 -0.37 0.00 0.00 57.07 57.04 1hdu s TYR 206 Cb -0.34 -1.66 -0.14 0.00 -0.40 0.00 0.00 41.96 39.42 1hdu s TYR 206 CO 0.51 0.37 0.09 0.41 -1.57 0.00 0.00 175.55 175.36 1hdu n GLY 207 N -1.07 -0.51 0.05 0.71 0.00 -1.26 -1.64 105.19 101.47 1hdu n GLY 207 Ca -0.03 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1hdu n GLY 207 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1hdu n TYR 208 N -2.25 0.41 -4.02 1.61 4.11 -0.94 -0.44 117.16 115.63 1hdu n TYR 208 Ca -0.13 0.12 -0.10 0.00 -0.00 0.00 0.00 57.90 57.80 1hdu n TYR 208 Cb 0.69 -0.55 -0.11 0.00 -0.00 0.00 0.00 39.34 39.37 1hdu n TYR 208 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1hdu s THR 209 N -3.17 0.24 -1.28 -3.48 -1.32 -1.26 -4.93 115.64 100.44 1hdu s THR 209 Ca 0.05 -1.12 0.28 0.00 -1.21 0.00 0.00 61.69 59.70 1hdu s THR 209 Cb 0.14 -0.58 0.41 0.00 -1.51 0.00 0.00 72.50 70.96 1hdu s THR 209 CO 0.75 -0.57 1.96 0.35 -2.21 0.00 0.00 174.62 174.91 1hdu n THR 210 N 1.28 0.07 -1.72 5.08 -2.24 -1.26 -4.60 114.28 110.89 1hdu n THR 210 Ca -0.22 0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1hdu n THR 210 Cb 0.56 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1hdu n THR 210 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1hdu n GLN 211 N -1.36 2.79 -2.84 -0.78 -0.06 -1.26 -4.96 117.38 108.91 1hdu n GLN 211 Ca 0.11 1.01 -0.41 0.00 -2.00 0.00 0.00 57.00 55.71 1hdu n GLN 211 Cb 0.26 -2.86 -0.04 0.00 -4.06 0.00 0.00 30.24 23.54 1hdu n GLN 211 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1hdu s SER 212 N 1.28 7.31 0.63 1.69 0.01 -1.26 -4.49 113.70 118.86 1hdu s SER 212 Ca 0.76 1.57 -0.18 0.00 1.31 0.00 0.00 55.95 59.41 1hdu s SER 212 Cb -0.50 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.19 1hdu s SER 212 CO 0.32 -0.11 1.25 0.27 0.41 0.00 0.00 173.24 175.38 1hdu s ILE 213 N 0.40 2.32 0.56 1.44 -4.36 -1.26 -4.89 121.20 115.40 1hdu s ILE 213 Ca 0.45 0.19 0.24 0.00 -0.26 0.00 0.00 60.65 61.27 1hdu s ILE 213 Cb -0.21 -3.05 0.32 0.00 1.25 0.00 0.00 42.46 40.77 1hdu s ILE 213 CO 0.26 -0.05 2.20 -0.65 0.24 0.00 0.00 174.94 176.95 1hdu h PRO 214 N 0.62 0.00 -0.67 0.37 0.11 -1.99 -2.38 132.00 128.07 1hdu h PRO 214 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1hdu h PRO 214 Cb 1.32 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1hdu h PRO 214 CO 0.54 0.00 0.17 -0.25 -0.21 0.00 0.00 178.00 178.24 1hdu n ASP 215 N -4.14 5.13 -0.24 -2.05 8.00 -1.26 -4.70 116.55 117.30 1hdu n ASP 215 Ca -0.03 -3.13 0.03 0.00 0.71 0.00 0.00 54.79 52.38 1hdu n ASP 215 Cb 0.10 -0.72 0.16 0.00 -0.02 0.00 0.00 41.12 40.64 1hdu n ASP 215 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1hdu h LYS 216 N 3.11 0.39 -0.23 -1.24 3.64 -1.79 -1.30 116.57 119.15 1hdu h LYS 216 Ca 0.17 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1hdu h LYS 216 Cb 2.19 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 1hdu h LYS 216 CO 0.64 0.26 0.13 1.15 -2.27 0.00 0.00 179.45 179.36 1hdu h THR 217 N 0.40 1.11 -0.19 1.00 2.02 -1.87 0.02 112.91 115.40 1hdu h THR 217 Ca 0.37 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1hdu h THR 217 Cb 0.55 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1hdu h THR 217 CO -0.39 0.10 0.06 -0.08 0.37 0.00 0.00 175.52 175.59 1hdu h GLU 218 N 0.27 0.29 -0.17 6.66 4.81 -1.83 -2.02 114.58 122.59 1hdu h GLU 218 Ca 0.08 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1hdu h GLU 218 Cb 0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1hdu h GLU 218 CO -0.01 0.39 -0.22 -0.07 -0.73 0.00 0.00 179.01 178.36 1hdu h LEU 219 N 0.13 0.29 -0.65 1.64 4.07 -1.17 -0.99 115.31 118.63 1hdu h LEU 219 Ca 0.06 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.83 1hdu h LEU 219 Cb 0.22 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 1hdu h LEU 219 CO -0.00 0.53 -0.09 -1.13 -1.08 0.00 0.00 178.44 176.66 1hdu h ASN 220 N 0.27 0.95 -0.23 -0.43 -0.73 -0.86 -0.60 115.58 113.95 1hdu h ASN 220 Ca 0.05 -0.30 -0.03 0.00 1.87 0.00 0.00 56.30 57.89 1hdu h ASN 220 Cb 0.55 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1hdu h ASN 220 CO 0.04 1.06 0.03 -0.61 -0.37 0.00 0.00 177.43 177.58 1hdu h GLN 221 N 0.86 0.38 -0.82 6.67 5.75 -0.93 -0.71 115.11 126.31 1hdu h GLN 221 Ca 0.14 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.53 1hdu h GLN 221 Cb 0.63 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 1hdu h GLN 221 CO 0.04 0.52 0.48 0.28 -2.65 0.00 0.00 178.83 177.51 1hdu h VAL 222 N 0.18 1.23 -0.67 2.39 2.07 -1.01 -1.68 116.25 118.76 1hdu h VAL 222 Ca 0.07 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1hdu h VAL 222 Cb 0.33 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1hdu h VAL 222 CO 0.01 0.25 0.10 0.00 0.02 0.00 0.00 177.57 177.95 1hdu h ALA 223 N 1.26 0.90 -0.42 1.67 0.00 -0.93 -0.90 119.26 120.84 1hdu h ALA 223 Ca 0.29 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1hdu h ALA 223 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1hdu h ALA 223 CO -0.05 0.67 0.27 -0.22 0.00 0.00 0.00 179.25 179.92 1hdu h LYS 224 N 1.05 0.53 -0.28 0.00 3.64 -0.62 -0.79 116.57 120.08 1hdu h LYS 224 Ca 0.20 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1hdu h LYS 224 Cb 0.46 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1hdu h LYS 224 CO 0.01 0.35 -0.33 0.77 -2.27 0.00 0.00 179.45 177.98 1hdu h SER 225 N 0.54 0.64 -0.36 4.20 0.02 -1.12 -2.50 113.55 114.97 1hdu h SER 225 Ca 0.16 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 1hdu h SER 225 Cb -0.04 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1hdu h SER 225 CO -0.05 0.92 -0.08 0.00 -1.14 0.00 0.00 176.83 176.49 1hdu h ALA 226 N 1.12 0.49 -0.78 3.77 0.00 -0.85 -2.30 119.26 120.71 1hdu h ALA 226 Ca 0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1hdu h ALA 226 Cb 0.82 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1hdu h ALA 226 CO 0.07 0.33 0.30 0.28 0.00 0.00 0.00 179.25 180.23 1hdu h VAL 227 N 0.48 1.26 -0.52 0.00 2.07 -1.10 -1.28 116.25 117.15 1hdu h VAL 227 Ca 0.09 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 1hdu h VAL 227 Cb 0.58 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1hdu h VAL 227 CO 0.03 0.34 0.12 0.00 0.02 0.00 0.00 177.57 178.08 1hdu h ALA 228 N 1.19 0.68 -0.31 1.67 0.00 -1.37 -1.32 119.26 119.79 1hdu h ALA 228 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1hdu h ALA 228 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1hdu h ALA 228 CO -0.02 0.38 0.16 0.00 0.00 0.00 0.00 179.25 179.77 1hdu h ALA 229 N 1.00 0.39 -0.22 0.00 0.00 -1.14 -2.43 119.26 116.86 1hdu h ALA 229 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hdu h ALA 229 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1hdu h ALA 229 CO 0.00 -0.06 0.15 1.25 0.00 0.00 0.00 179.25 180.59 1hdu h LEU 230 N 0.37 0.26 -2.35 0.00 6.46 -1.08 -2.55 115.31 116.41 1hdu h LEU 230 Ca 0.11 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1hdu h LEU 230 Cb 0.10 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1hdu h LEU 230 CO -0.01 0.19 -0.01 0.50 -0.62 0.00 0.00 178.44 178.49 1hdu h LYS 231 N 0.30 0.00 -0.10 1.25 3.64 -1.13 -3.07 116.57 117.46 1hdu h LYS 231 Ca 0.08 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1hdu h LYS 231 Cb -0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1hdu h LYS 231 CO -0.02 0.01 0.08 0.66 -2.27 0.00 0.00 179.45 177.91 1hdu h SER 232 N 0.00 0.00 0.13 4.20 4.64 -0.99 0.18 113.55 121.70 1hdu h SER 232 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1hdu h SER 232 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1hdu h SER 232 CO 0.00 0.00 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.83 1hdu h LEU 233 N 0.00 -0.15 -1.47 5.97 3.38 -1.69 -3.42 115.31 117.93 1hdu h LEU 233 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1hdu h LEU 233 Cb 0.21 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1hdu h LEU 233 CO -0.00 0.35 0.00 -1.22 0.09 0.00 0.00 178.44 177.66 1hdu n TYR 234 N -4.89 0.00 -0.86 1.13 4.01 -1.24 -5.00 117.16 110.31 1hdu n TYR 234 Ca -0.03 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1hdu n TYR 234 Cb 0.09 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1hdu n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hdu n GLY 235 N -0.09 0.54 3.70 2.72 0.00 0.62 -5.00 105.19 107.68 1hdu n GLY 235 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1hdu n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hdu s THR 236 N -2.00 2.95 -0.18 2.61 2.01 -1.25 -4.97 115.64 114.81 1hdu s THR 236 Ca 0.00 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.39 1hdu s THR 236 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1hdu s THR 236 CO 0.00 0.01 0.21 -0.44 -0.69 0.00 0.00 174.62 173.71 1hdu s SER 237 N 2.02 6.33 0.09 3.53 0.01 -1.26 -3.96 113.70 120.46 1hdu s SER 237 Ca 0.72 0.38 0.10 0.00 1.31 0.00 0.00 55.95 58.46 1hdu s SER 237 Cb -0.40 -2.13 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1hdu s SER 237 CO 0.32 0.16 -0.26 -0.31 0.41 0.00 0.00 173.24 173.55 1hdu s TYR 238 N 0.32 2.29 0.24 2.43 1.51 -1.26 -4.89 117.35 117.99 1hdu s TYR 238 Ca 0.12 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1hdu s TYR 238 Cb -0.12 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1hdu s TYR 238 CO 0.01 0.23 0.24 0.15 -1.11 0.00 0.00 175.55 175.07 1hdu s LYS 239 N -1.66 3.09 0.05 -0.62 3.01 -1.02 -4.97 119.74 117.62 1hdu s LYS 239 Ca 0.13 -0.94 -0.12 0.00 -1.01 0.00 0.00 55.97 54.03 1hdu s LYS 239 Cb -0.10 -2.68 0.01 0.00 -1.01 0.00 0.00 37.83 34.06 1hdu s LYS 239 CO 0.04 0.42 0.25 1.52 0.51 0.00 0.00 175.35 178.09 1hdu s TYR 240 N -2.05 -0.02 -5.00 3.18 1.13 -1.26 -1.31 117.35 112.02 1hdu s TYR 240 Ca 0.33 -0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 1hdu s TYR 240 Cb -0.08 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.81 1hdu s TYR 240 CO 0.26 -0.49 0.00 0.41 -2.51 0.00 0.00 175.55 173.22 1hdu n GLY 241 N 0.53 -1.41 3.80 5.49 0.00 -1.01 -4.99 105.19 107.60 1hdu n GLY 241 Ca -0.18 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 1hdu n GLY 241 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hdu s SER 242 N -3.13 5.82 0.13 1.61 1.04 -1.26 -2.15 113.70 115.76 1hdu s SER 242 Ca 0.00 1.89 -0.25 0.00 0.48 0.00 0.00 55.95 58.06 1hdu s SER 242 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1hdu s SER 242 CO 0.00 -1.14 1.62 0.40 0.98 0.00 0.00 173.24 175.10 1hdu h ILE 243 N 0.68 0.34 -0.07 -1.02 2.04 -1.25 -0.63 117.51 117.60 1hdu h ILE 243 Ca -0.48 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 1hdu h ILE 243 Cb 1.23 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1hdu h ILE 243 CO 0.57 0.00 -0.17 -0.29 0.00 0.00 0.00 178.15 178.27 1hdu h ILE 244 N -0.38 1.16 0.00 -0.67 2.10 -1.45 -1.35 117.51 116.91 1hdu h ILE 244 Ca 0.09 -0.73 -0.09 0.00 1.08 0.00 0.00 64.86 65.21 1hdu h ILE 244 Cb 0.52 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 1hdu h ILE 244 CO -0.31 0.22 -0.85 0.74 -1.08 0.00 0.00 178.15 176.87 1hdu h THR 245 N 0.10 0.44 0.05 2.19 2.02 -1.78 -3.35 112.91 112.59 1hdu h THR 245 Ca 0.02 -1.71 -0.37 0.00 0.77 0.00 0.00 66.41 65.11 1hdu h THR 245 Cb 0.36 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1hdu h THR 245 CO 0.02 0.25 -2.18 0.41 0.37 0.00 0.00 175.52 174.40 1hdu n THR 246 N -2.98 1.62 0.02 3.16 -1.04 -0.26 -4.89 114.28 109.91 1hdu n THR 246 Ca -0.02 -0.54 -0.02 0.00 -2.04 0.00 0.00 64.05 61.43 1hdu n THR 246 Cb 0.70 -1.65 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 1hdu n THR 246 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1hdu n ILE 247 N -3.54 0.90 0.00 12.58 -6.64 -0.54 -5.09 119.36 117.02 1hdu n ILE 247 Ca -0.40 0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 1hdu n ILE 247 Cb 0.98 -1.62 0.00 0.00 -1.44 0.00 0.00 39.64 37.56 1hdu n ILE 247 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1hdu n TYR 248 N -3.44 0.00 -1.94 4.28 0.18 -1.16 -5.04 117.16 110.05 1hdu n TYR 248 Ca -0.03 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.34 1hdu n TYR 248 Cb 0.21 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.16 1hdu n TYR 248 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1hdu s GLN 249 N -2.00 4.22 -0.19 -3.48 0.74 -1.26 -4.06 119.66 113.63 1hdu s GLN 249 Ca 0.00 2.41 -0.08 0.00 0.05 0.00 0.00 55.36 57.75 1hdu s GLN 249 Cb 0.00 -3.01 0.08 0.00 1.10 0.00 0.00 33.01 31.18 1hdu s GLN 249 CO 0.00 -0.38 0.41 0.00 -0.55 0.00 0.00 175.29 174.77 1hdu s ALA 250 N -1.11 -1.11 0.12 1.58 0.00 0.41 -4.30 121.76 117.35 1hdu s ALA 250 Ca 0.51 1.50 0.03 0.00 0.00 0.00 0.00 51.96 54.00 1hdu s ALA 250 Cb -0.44 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1hdu s ALA 250 CO 0.58 -0.60 0.15 -1.54 0.00 0.00 0.00 175.76 174.34 1hdu s SER 251 N 2.24 5.74 -0.38 0.00 1.04 -1.20 -2.22 113.70 118.92 1hdu s SER 251 Ca -0.04 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1hdu s SER 251 Cb -0.11 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.43 1hdu s SER 251 CO -0.13 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1hdu n GLY 252 N -0.02 0.66 3.81 7.32 0.00 -0.34 -4.41 105.19 112.21 1hdu n GLY 252 Ca -0.08 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 1hdu n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hdu s GLY 253 N -2.94 2.51 0.26 -0.02 0.00 -1.22 -0.88 107.32 105.03 1hdu s GLY 253 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 44.72 45.06 1hdu s GLY 253 CO 0.00 0.71 1.92 1.48 0.00 0.00 0.00 173.10 177.21 1hdu h SER 254 N 2.36 1.12 0.61 1.64 4.64 -1.89 -2.96 113.55 119.06 1hdu h SER 254 Ca -0.48 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 1hdu h SER 254 Cb 1.18 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 1hdu h SER 254 CO 0.63 0.78 -0.39 0.40 -0.87 0.00 0.00 176.83 177.37 1hdu h ILE 255 N 1.30 1.06 -0.23 0.95 5.03 -1.94 -0.16 117.51 123.53 1hdu h ILE 255 Ca 0.39 -1.45 -0.16 0.00 -0.12 0.00 0.00 64.86 63.51 1hdu h ILE 255 Cb -0.05 1.83 -0.00 0.00 -3.03 0.00 0.00 36.82 35.57 1hdu h ILE 255 CO -0.11 0.38 -0.52 0.44 -0.68 0.00 0.00 178.15 177.66 1hdu h ASP 256 N 0.00 0.73 0.00 1.72 3.32 -1.92 -1.05 116.42 119.23 1hdu h ASP 256 Ca -0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1hdu h ASP 256 Cb 0.80 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1hdu h ASP 256 CO 0.05 1.11 -0.00 -0.25 -1.72 0.00 0.00 179.24 178.43 1hdu h TRP 257 N 0.51 -0.01 -0.66 4.55 7.01 -1.33 -2.05 115.95 123.98 1hdu h TRP 257 Ca 0.02 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 1hdu h TRP 257 Cb 1.08 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.11 1hdu h TRP 257 CO 0.05 0.35 0.41 0.66 -2.79 0.00 0.00 178.44 177.12 1hdu h SER 258 N -0.36 0.78 -0.73 2.65 4.64 -1.01 -1.98 113.55 117.55 1hdu h SER 258 Ca -0.00 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1hdu h SER 258 Cb 0.35 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1hdu h SER 258 CO 0.00 0.60 0.44 0.22 -0.87 0.00 0.00 176.83 177.23 1hdu h TYR 259 N 0.90 0.96 0.00 4.77 3.20 -1.19 -0.45 116.97 125.15 1hdu h TYR 259 Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1hdu h TYR 259 Cb -0.05 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1hdu h TYR 259 CO -0.02 0.64 0.00 0.09 -1.64 0.00 0.00 178.16 177.23 1hdu n ASN 260 N -4.53 0.00 -0.15 -2.11 3.02 -0.77 -1.12 115.26 109.59 1hdu n ASN 260 Ca 0.06 0.48 0.13 0.00 -0.03 0.00 0.00 54.58 55.22 1hdu n ASN 260 Cb 0.05 -0.49 0.35 0.00 -0.61 0.00 0.00 39.78 39.08 1hdu n ASN 260 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1hdu n GLN 261 N -1.49 0.54 0.00 3.52 -0.06 -0.21 -4.92 117.38 114.76 1hdu n GLN 261 Ca 0.03 -0.31 0.00 0.00 -2.00 0.00 0.00 57.00 54.72 1hdu n GLN 261 Cb 0.14 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 1hdu n GLN 261 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1hdu n GLY 262 N 1.39 0.62 3.51 1.69 0.00 -0.28 -5.03 105.19 107.10 1hdu n GLY 262 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1hdu n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hdu s ILE 263 N -2.00 4.26 0.16 -0.61 1.01 -0.98 -4.89 121.20 118.14 1hdu s ILE 263 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 1hdu s ILE 263 Cb 0.00 -4.91 0.08 0.00 0.01 0.00 0.00 42.46 37.64 1hdu s ILE 263 CO 0.00 -1.73 1.66 0.50 0.00 0.00 0.00 174.94 175.38 1hdu h LYS 264 N 9.42 -0.05 -4.71 2.79 3.64 -1.85 -3.33 116.57 122.48 1hdu h LYS 264 Ca 0.11 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.77 1hdu h LYS 264 Cb 1.02 0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.73 1hdu h LYS 264 CO 1.27 -0.03 1.98 0.66 -2.27 0.00 0.00 179.45 181.06 1hdu n TYR 265 N -5.32 4.28 -3.78 1.91 4.01 -1.19 -4.92 117.16 112.16 1hdu n TYR 265 Ca 0.01 -3.05 -0.37 0.00 -0.16 0.00 0.00 57.90 54.34 1hdu n TYR 265 Cb 0.23 -2.32 -0.13 0.00 -0.31 0.00 0.00 39.34 36.81 1hdu n TYR 265 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1hdu s SER 266 N 2.88 5.18 0.10 7.72 0.01 -1.25 -0.51 113.70 127.84 1hdu s SER 266 Ca 0.46 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.73 1hdu s SER 266 Cb 0.04 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 1hdu s SER 266 CO 0.01 -0.28 -0.12 -0.36 0.41 0.00 0.00 173.24 172.90 1hdu s PHE 267 N 1.41 1.20 -0.07 2.43 0.08 -0.46 -4.31 117.98 118.26 1hdu s PHE 267 Ca -0.01 -0.59 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1hdu s PHE 267 Cb -0.19 -0.64 0.01 0.00 -0.57 0.00 0.00 43.02 41.63 1hdu s PHE 267 CO 0.02 0.06 -0.14 0.99 -0.10 0.00 0.00 175.22 176.05 1hdu s THR 268 N -2.16 1.26 -0.12 0.64 2.01 -0.42 -1.61 115.64 115.25 1hdu s THR 268 Ca 0.05 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1hdu s THR 268 Cb -0.05 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1hdu s THR 268 CO 0.01 0.38 0.08 -0.36 -0.69 0.00 0.00 174.62 174.05 1hdu s PHE 269 N 0.54 3.40 -0.32 4.92 0.40 -0.95 -0.79 117.98 125.19 1hdu s PHE 269 Ca -0.14 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 1hdu s PHE 269 Cb -0.15 -1.90 0.08 0.00 0.51 0.00 0.00 43.02 41.55 1hdu s PHE 269 CO 0.04 0.58 0.02 -1.21 0.70 0.00 0.00 175.22 175.34 1hdu s GLU 270 N -0.81 1.93 0.54 0.44 0.41 0.19 -0.19 118.70 121.22 1hdu s GLU 270 Ca 0.13 -1.62 -0.09 0.00 -0.41 0.00 0.00 54.97 52.98 1hdu s GLU 270 Cb -0.12 -3.17 0.13 0.00 -1.78 0.00 0.00 34.13 29.20 1hdu s GLU 270 CO 0.03 -0.80 0.55 1.28 -0.49 0.00 0.00 175.26 175.83 1hdu n LEU 271 N 4.41 0.00 -4.73 1.80 4.32 0.09 -0.90 117.00 122.00 1hdu n LEU 271 Ca -0.05 -0.59 -0.33 0.00 -0.02 0.00 0.00 56.01 55.02 1hdu n LEU 271 Cb 0.42 -0.48 0.10 0.00 -1.62 0.00 0.00 43.42 41.84 1hdu n LEU 271 CO 0.24 -1.37 0.76 -0.13 -1.22 0.00 0.00 177.39 175.67 1hdu s ARG 272 N -4.23 2.07 0.00 3.23 0.52 -1.26 -1.81 118.95 117.47 1hdu s ARG 272 Ca 0.34 1.59 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 1hdu s ARG 272 Cb -0.03 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.60 1hdu s ARG 272 CO 0.25 -1.85 0.00 -0.40 0.02 0.00 0.00 175.30 173.32 1hdu n ASP 273 N -3.02 0.21 -1.85 0.23 5.68 -1.26 -4.69 116.55 111.85 1hdu n ASP 273 Ca 0.12 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.48 1hdu n ASP 273 Cb 0.51 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.89 1hdu n ASP 273 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1hdu n THR 274 N 0.00 2.75 0.00 2.12 -2.24 -1.26 -0.85 114.28 114.80 1hdu n THR 274 Ca 0.00 -1.43 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1hdu n THR 274 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1hdu n THR 274 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hdu n GLY 275 N 0.57 0.95 0.07 3.38 0.00 -1.26 -4.93 105.19 103.97 1hdu n GLY 275 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 1hdu n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1hdu h ARG 276 N 0.00 0.01 0.00 1.61 2.43 -2.03 -3.32 114.38 113.08 1hdu h ARG 276 Ca 0.00 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1hdu h ARG 276 Cb 0.00 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1hdu h ARG 276 CO 0.00 0.00 -1.56 0.66 -1.51 0.00 0.00 179.97 177.56 1hdu n TYR 277 N -5.14 0.00 0.00 2.20 4.01 -1.26 -5.08 117.16 111.89 1hdu n TYR 277 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1hdu n TYR 277 Cb 0.08 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 1hdu n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hdu n GLY 278 N 2.19 3.95 0.26 2.72 0.00 -1.25 -1.71 105.19 111.36 1hdu n GLY 278 Ca -0.09 0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.11 1hdu n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1hdu h PHE 279 N 0.00 0.00 -1.72 1.61 0.04 -1.93 -3.27 116.94 111.67 1hdu h PHE 279 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 1hdu h PHE 279 Cb 0.00 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 37.91 1hdu h PHE 279 CO 0.00 0.00 0.87 1.28 -0.60 0.00 0.00 178.31 179.86 1hdu n LEU 280 N -3.06 7.22 -4.72 1.54 4.77 -0.69 -4.53 117.00 117.53 1hdu n LEU 280 Ca 0.01 -4.61 -0.42 0.00 -0.03 0.00 0.00 56.01 50.96 1hdu n LEU 280 Cb 0.35 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.29 1hdu n LEU 280 CO 0.28 1.75 1.33 -0.22 -1.33 0.00 0.00 177.39 179.21 1hdu s LEU 281 N -3.51 4.37 0.51 2.23 0.20 -1.23 -4.87 118.68 116.38 1hdu s LEU 281 Ca 0.54 2.79 -0.23 0.00 0.69 0.00 0.00 54.13 57.92 1hdu s LEU 281 Cb 0.42 -3.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.52 1hdu s LEU 281 CO -0.36 -0.93 1.34 -2.65 -0.29 0.00 0.00 176.35 173.46 1hdu n PRO 282 N 4.04 1.79 0.31 0.98 -0.02 -1.26 -4.88 135.00 135.95 1hdu n PRO 282 Ca 0.15 0.65 0.17 0.00 -2.02 0.00 0.00 63.50 62.45 1hdu n PRO 282 Cb 0.36 -2.53 0.99 0.00 -0.02 0.00 0.00 33.50 32.30 1hdu n PRO 282 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hdu h ALA 283 N 1.63 1.41 0.00 3.55 0.00 -1.92 -1.40 119.26 122.54 1hdu h ALA 283 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1hdu h ALA 283 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1hdu h ALA 283 CO 0.58 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 1hdu n SER 284 N -3.67 0.00 -0.58 0.00 3.41 -1.26 -2.15 113.62 109.37 1hdu n SER 284 Ca -0.03 0.48 0.09 0.00 -0.26 0.00 0.00 58.87 59.15 1hdu n SER 284 Cb 0.08 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 63.58 1hdu n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hdu n GLN 285 N -1.49 1.60 0.33 4.33 6.02 -0.53 -4.65 117.38 123.00 1hdu n GLN 285 Ca 0.03 -1.24 -0.19 0.00 -0.01 0.00 0.00 57.00 55.59 1hdu n GLN 285 Cb 0.14 -1.35 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 1hdu n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1hdu h ILE 286 N 2.85 0.00 -0.26 5.09 2.04 -1.55 -0.27 117.51 125.40 1hdu h ILE 286 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1hdu h ILE 286 Cb 0.70 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1hdu h ILE 286 CO 0.00 0.00 0.16 0.40 0.00 0.00 0.00 178.15 178.71 1hdu h ILE 287 N -1.07 1.09 -0.82 -0.67 2.04 -1.81 -0.24 117.51 116.03 1hdu h ILE 287 Ca -0.07 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1hdu h ILE 287 Cb 0.91 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1hdu h ILE 287 CO -0.03 0.09 0.53 -0.65 0.00 0.00 0.00 178.15 178.09 1hdu h PRO 288 N 0.34 1.00 -0.14 2.37 0.11 -1.82 0.26 132.00 134.12 1hdu h PRO 288 Ca 0.10 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1hdu h PRO 288 Cb -0.00 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 1hdu h PRO 288 CO -0.02 0.66 0.07 1.15 -0.21 0.00 0.00 178.00 179.65 1hdu h THR 289 N 1.03 1.12 -0.76 -1.15 2.02 -0.74 -2.09 112.91 112.35 1hdu h THR 289 Ca 0.32 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1hdu h THR 289 Cb -0.01 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1hdu h THR 289 CO -0.11 0.11 0.30 0.00 0.37 0.00 0.00 175.52 176.20 1hdu h ALA 290 N 0.93 0.99 -0.15 6.16 0.00 -0.61 -1.25 119.26 125.33 1hdu h ALA 290 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1hdu h ALA 290 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1hdu h ALA 290 CO -0.01 0.62 0.10 1.96 0.00 0.00 0.00 179.25 181.92 1hdu h GLN 291 N 1.10 0.20 -0.16 0.00 4.20 -0.30 -0.87 115.11 119.29 1hdu h GLN 291 Ca 0.25 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1hdu h GLN 291 Cb 0.22 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1hdu h GLN 291 CO -0.02 0.15 -0.59 1.05 -0.67 0.00 0.00 178.83 178.75 1hdu h GLU 292 N 0.19 0.54 -0.53 1.46 4.11 -1.30 -3.06 114.58 115.98 1hdu h GLU 292 Ca 0.06 -0.36 -0.06 0.00 0.07 0.00 0.00 59.36 59.07 1hdu h GLU 292 Cb -0.00 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1hdu h GLU 292 CO -0.01 0.97 0.11 1.15 0.07 0.00 0.00 179.01 181.30 1hdu h THR 293 N 0.40 1.23 -1.01 -1.06 2.02 -1.10 -2.57 112.91 110.83 1hdu h THR 293 Ca -0.00 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.37 1hdu h THR 293 Cb 1.15 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 1hdu h THR 293 CO 0.11 0.32 0.66 -0.25 0.37 0.00 0.00 175.52 176.72 1hdu h TRP 294 N 0.80 1.22 -0.58 3.16 -0.00 -1.05 -0.89 115.95 118.60 1hdu h TRP 294 Ca 0.17 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.06 1hdu h TRP 294 Cb 0.33 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.16 29.05 1hdu h TRP 294 CO 0.02 0.68 0.21 -0.07 -0.00 0.00 0.00 178.44 179.28 1hdu h LEU 295 N 1.24 0.79 -0.32 0.65 3.38 -1.46 0.52 115.31 120.10 1hdu h LEU 295 Ca 0.41 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 1hdu h LEU 295 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1hdu h LEU 295 CO -0.14 0.72 -0.22 1.23 0.09 0.00 0.00 178.44 180.12 1hdu h GLY 296 N 0.97 0.78 1.33 0.83 0.00 -1.15 -2.46 103.07 103.36 1hdu h GLY 296 Ca 0.20 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 1hdu h GLY 296 CO -0.01 0.67 -0.38 -2.08 0.00 0.00 0.00 176.54 174.74 1hdu h VAL 297 N 0.48 1.29 -0.79 4.60 2.07 -0.96 -2.86 116.25 120.07 1hdu h VAL 297 Ca 0.06 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.00 1hdu h VAL 297 Cb 0.77 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1hdu h VAL 297 CO 0.06 0.50 0.37 0.25 0.02 0.00 0.00 177.57 178.77 1hdu h LEU 298 N 0.61 1.05 -0.72 2.57 6.46 -0.89 -0.99 115.31 123.41 1hdu h LEU 298 Ca 0.05 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1hdu h LEU 298 Cb 0.92 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 1hdu h LEU 298 CO 0.08 0.90 0.46 0.74 -0.62 0.00 0.00 178.44 180.00 1hdu h THR 299 N 1.13 1.12 -0.33 1.05 2.02 -1.30 -0.12 112.91 116.49 1hdu h THR 299 Ca 0.27 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1hdu h THR 299 Cb 0.14 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1hdu h THR 299 CO -0.03 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 176.41 1hdu h ILE 300 N 0.91 1.26 -0.55 3.11 2.04 -1.22 -2.79 117.51 120.27 1hdu h ILE 300 Ca 0.28 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.19 1hdu h ILE 300 Cb -0.02 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1hdu h ILE 300 CO -0.09 0.32 0.31 0.24 0.00 0.00 0.00 178.15 178.93 1hdu h MET 301 N 0.39 0.59 -0.70 2.37 2.86 -0.75 -2.03 114.93 117.67 1hdu h MET 301 Ca 0.09 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1hdu h MET 301 Cb 0.47 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1hdu h MET 301 CO 0.02 0.39 0.42 0.93 1.06 0.00 0.00 176.91 179.72 1hdu h GLU 302 N 0.61 0.77 -0.31 1.72 5.08 -0.94 -1.13 114.58 120.37 1hdu h GLU 302 Ca 0.23 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1hdu h GLU 302 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1hdu h GLU 302 CO -0.13 0.51 -0.00 1.25 -1.00 0.00 0.00 179.01 179.64 1hdu h HIS 303 N 0.79 0.48 -0.42 4.33 2.76 -1.19 -2.51 115.15 119.40 1hdu h HIS 303 Ca 0.29 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.29 1hdu h HIS 303 Cb 0.10 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 1hdu h HIS 303 CO -0.06 0.48 -0.26 1.15 -1.30 0.00 0.00 177.93 177.95 1hdu h THR 304 N 0.45 1.27 -0.50 6.26 2.02 -0.53 -2.71 112.91 119.17 1hdu h THR 304 Ca 0.10 -1.41 -0.07 0.00 0.77 0.00 0.00 66.41 65.80 1hdu h THR 304 Cb 0.30 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1hdu h THR 304 CO 0.01 0.47 0.02 0.58 0.37 0.00 0.00 175.52 176.98 1hdu h VAL 305 N 0.75 1.26 -0.24 3.16 2.07 -0.89 -2.79 116.25 119.57 1hdu h VAL 305 Ca 0.09 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1hdu h VAL 305 Cb 0.81 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1hdu h VAL 305 CO 0.07 0.37 0.00 0.59 0.02 0.00 0.00 177.57 178.61 1hdu n ASN 306 N -4.35 1.78 0.00 0.57 3.02 -0.98 -5.13 115.26 110.18 1hdu n ASN 306 Ca 0.01 -2.10 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 1hdu n ASN 306 Cb 0.30 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1hdu n ASN 306 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23