#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f28 h ALA 4 N 0.00 1.67 -0.37 5.20 0.00 -1.95 0.58 119.26 124.39 1f28 h ALA 4 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1f28 h ALA 4 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1f28 h ALA 4 CO 0.00 0.24 -0.23 0.93 0.00 0.00 0.00 179.25 180.19 1f28 h GLU 5 N 0.16 0.81 0.00 0.00 5.08 -2.00 -1.98 114.58 116.64 1f28 h GLU 5 Ca 0.03 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 1f28 h GLU 5 Cb 0.25 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1f28 h GLU 5 CO 0.01 1.01 -0.29 1.49 -1.00 0.00 0.00 179.01 180.24 1f28 h GLU 6 N 0.61 0.00 0.00 2.33 4.81 -1.71 -2.61 114.58 118.01 1f28 h GLU 6 Ca 0.08 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1f28 h GLU 6 Cb 0.79 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1f28 h GLU 6 CO 0.06 0.29 -0.21 0.37 -0.73 0.00 0.00 179.01 178.79 1f28 h GLN 7 N 0.00 0.00 -0.19 1.92 5.75 0.88 -2.52 115.11 120.95 1f28 h GLN 7 Ca -0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1f28 h GLN 7 Cb 0.71 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 1f28 h GLN 7 CO 0.04 0.21 0.09 1.96 -2.65 0.00 0.00 178.83 178.47 1f28 h GLN 8 N 0.00 0.19 -0.12 1.69 4.20 -1.09 0.31 115.11 120.28 1f28 h GLN 8 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1f28 h GLN 8 Cb 0.42 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1f28 h GLN 8 CO 0.03 0.13 0.07 -0.92 -0.67 0.00 0.00 178.83 177.46 1f28 h TYR 9 N 0.20 0.16 -0.56 2.96 5.03 -1.59 -1.50 116.97 121.66 1f28 h TYR 9 Ca 0.08 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.37 1f28 h TYR 9 Cb 0.02 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 1f28 h TYR 9 CO -0.09 0.15 0.27 -0.07 -1.32 0.00 0.00 178.16 177.09 1f28 h LEU 10 N 0.13 0.73 -1.31 2.82 3.38 -1.20 -0.33 115.31 119.52 1f28 h LEU 10 Ca 0.04 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1f28 h LEU 10 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1f28 h LEU 10 CO -0.01 0.66 0.03 0.78 0.09 0.00 0.00 178.44 179.99 1f28 h ASN 11 N 0.75 0.45 -0.27 -0.43 2.35 -0.23 -1.79 115.58 116.42 1f28 h ASN 11 Ca 0.19 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 1f28 h ASN 11 Cb 0.12 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1f28 h ASN 11 CO -0.02 0.50 -0.15 0.25 -1.65 0.00 0.00 177.43 176.36 1f28 h LEU 12 N 0.48 0.60 -0.24 1.61 5.85 -0.61 -0.04 115.31 122.97 1f28 h LEU 12 Ca 0.11 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1f28 h LEU 12 Cb 0.27 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1f28 h LEU 12 CO 0.00 0.88 -0.02 0.58 -0.34 0.00 0.00 178.44 179.55 1f28 h VAL 13 N 0.31 0.81 -0.71 1.05 2.07 -0.71 -0.83 116.25 118.24 1f28 h VAL 13 Ca 0.06 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 1f28 h VAL 13 Cb 0.67 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1f28 h VAL 13 CO 0.04 0.01 0.20 -0.61 0.02 0.00 0.00 177.57 177.23 1f28 h GLN 14 N 0.05 1.12 -0.65 1.57 5.75 -1.25 -1.22 115.11 120.48 1f28 h GLN 14 Ca 0.11 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 1f28 h GLN 14 Cb 0.15 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1f28 h GLN 14 CO -0.21 0.96 0.26 -0.92 -2.65 0.00 0.00 178.83 176.27 1f28 h TYR 15 N 1.07 0.96 -0.32 3.99 3.20 -0.42 -1.25 116.97 124.19 1f28 h TYR 15 Ca 0.23 -0.06 -0.18 0.00 3.14 0.00 0.00 58.73 61.86 1f28 h TYR 15 Cb 0.33 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1f28 h TYR 15 CO 0.03 0.73 -0.49 0.82 -1.64 0.00 0.00 178.16 177.61 1f28 h ILE 16 N 0.93 1.27 -0.98 1.81 2.04 -0.87 0.22 117.51 121.93 1f28 h ILE 16 Ca 0.22 -1.66 0.06 0.00 1.00 0.00 0.00 64.86 64.47 1f28 h ILE 16 Cb 0.18 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1f28 h ILE 16 CO -0.02 0.55 0.63 0.40 0.00 0.00 0.00 178.15 179.71 1f28 h ILE 17 N 0.70 1.10 0.00 -0.67 2.04 -0.79 0.16 117.51 120.05 1f28 h ILE 17 Ca 0.03 -0.40 -0.17 0.00 1.00 0.00 0.00 64.86 65.32 1f28 h ILE 17 Cb 1.09 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1f28 h ILE 17 CO 0.11 0.21 -1.43 0.59 0.00 0.00 0.00 178.15 177.64 1f28 n ASN 18 N -4.51 0.85 0.00 1.72 4.13 -0.51 -4.57 115.26 112.37 1f28 n ASN 18 Ca 0.14 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.78 1f28 n ASN 18 Cb 0.16 0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.58 1f28 n ASN 18 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1f28 n HIS 19 N -2.88 0.00 -2.06 3.10 8.25 0.75 -5.08 115.22 117.29 1f28 n HIS 19 Ca -0.10 -0.06 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 1f28 n HIS 19 Cb 0.84 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.94 1f28 n HIS 19 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1f28 s GLY 20 N -0.11 2.90 0.16 -1.41 0.00 0.55 -4.97 107.32 104.44 1f28 s GLY 20 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 44.72 45.61 1f28 s GLY 20 CO 0.00 1.75 1.23 -0.54 0.00 0.00 0.00 173.10 175.54 1f28 s GLU 21 N -2.37 4.45 -0.16 2.90 2.02 0.86 -4.53 118.70 121.88 1f28 s GLU 21 Ca 0.59 1.90 -0.26 0.00 0.02 0.00 0.00 54.97 57.22 1f28 s GLU 21 Cb -0.37 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 1f28 s GLU 21 CO 0.46 -0.17 0.86 0.34 0.02 0.00 0.00 175.26 176.78 1f28 s ASP 22 N 0.38 7.01 -0.09 -0.19 2.15 -1.26 -0.55 116.67 124.13 1f28 s ASP 22 Ca 0.55 1.24 -0.09 0.00 0.43 0.00 0.00 52.55 54.68 1f28 s ASP 22 Cb -0.33 -2.47 0.02 0.00 -0.30 0.00 0.00 42.92 39.84 1f28 s ASP 22 CO 0.35 -0.40 0.24 0.00 -0.17 0.00 0.00 175.17 175.19 1f28 s ARG 23 N 2.10 0.30 0.46 4.34 1.70 -0.82 -5.00 118.95 122.03 1f28 s ARG 23 Ca 0.40 0.29 -0.23 0.00 -0.47 0.00 0.00 55.73 55.72 1f28 s ARG 23 Cb -0.17 0.15 -0.09 0.00 -0.57 0.00 0.00 34.95 34.27 1f28 s ARG 23 CO 0.13 -0.04 1.06 -2.30 -1.08 0.00 0.00 175.30 173.07 1f28 n PRO 24 N 2.84 1.38 -4.40 3.89 -0.02 -1.26 -3.20 135.00 134.23 1f28 n PRO 24 Ca -0.13 0.50 -0.25 0.00 -2.02 0.00 0.00 63.50 61.60 1f28 n PRO 24 Cb 0.58 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 1f28 n PRO 24 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1f28 s ASP 25 N -0.81 4.05 0.17 2.55 3.68 -1.17 -4.92 116.67 120.23 1f28 s ASP 25 Ca 0.65 -1.06 -0.04 0.00 2.13 0.00 0.00 52.55 54.24 1f28 s ASP 25 Cb -0.51 -0.48 0.03 0.00 -1.45 0.00 0.00 42.92 40.51 1f28 s ASP 25 CO 0.55 -0.23 1.43 0.08 0.13 0.00 0.00 175.17 177.12 1f28 h ARG 26 N 1.87 0.53 0.00 4.34 0.11 -1.96 -2.74 114.38 116.53 1f28 h ARG 26 Ca -0.43 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.25 1f28 h ARG 26 Cb 1.25 0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.40 1f28 h ARG 26 CO 0.68 1.02 0.00 0.25 0.10 0.00 0.00 179.97 182.02 1f28 n THR 27 N -3.89 0.90 0.00 0.08 -2.24 -1.26 -4.85 114.28 103.01 1f28 n THR 27 Ca -0.05 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1f28 n THR 27 Cb 0.68 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1f28 n THR 27 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f28 n GLY 28 N -0.25 2.94 3.77 3.38 0.00 -1.03 -4.99 105.19 109.01 1f28 n GLY 28 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1f28 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f28 s THR 29 N -1.80 2.60 0.43 2.61 2.01 -1.26 -4.70 115.64 115.54 1f28 s THR 29 Ca 0.00 0.20 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1f28 s THR 29 Cb 0.00 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.65 1f28 s THR 29 CO 0.00 -0.26 0.62 -0.83 -0.69 0.00 0.00 174.62 173.46 1f28 s GLY 30 N -3.80 1.69 0.08 4.40 0.00 -1.26 -3.02 107.32 105.40 1f28 s GLY 30 Ca 0.62 -1.33 -0.12 0.00 0.00 0.00 0.00 44.72 43.90 1f28 s GLY 30 CO 0.55 -1.15 0.28 -0.51 0.00 0.00 0.00 173.10 172.26 1f28 s THR 31 N -2.46 0.10 -0.13 0.90 -4.23 -1.19 -1.99 115.64 106.64 1f28 s THR 31 Ca 0.50 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 1f28 s THR 31 Cb -0.10 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1f28 s THR 31 CO 0.35 -0.48 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.15 1f28 s LEU 32 N -2.56 3.23 0.01 4.79 1.43 -0.26 -1.95 118.68 123.37 1f28 s LEU 32 Ca 0.01 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1f28 s LEU 32 Cb 0.02 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1f28 s LEU 32 CO -0.09 0.22 0.02 -0.55 0.23 0.00 0.00 176.35 176.19 1f28 s SER 33 N 0.04 0.13 0.01 2.29 0.15 0.29 -0.76 113.70 115.85 1f28 s SER 33 Ca -0.00 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1f28 s SER 33 Cb -0.13 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1f28 s SER 33 CO 0.03 -0.26 -0.09 -0.69 1.20 0.00 0.00 173.24 173.43 1f28 s VAL 34 N -1.15 0.71 -0.17 4.45 1.01 0.44 -0.10 120.40 125.58 1f28 s VAL 34 Ca -0.13 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 1f28 s VAL 34 Cb -0.08 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1f28 s VAL 34 CO -0.00 0.07 0.10 0.12 0.00 0.00 0.00 175.10 175.39 1f28 s PHE 35 N -0.48 3.37 -1.22 5.22 5.36 -1.26 -0.67 117.98 128.30 1f28 s PHE 35 Ca 0.01 0.26 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 1f28 s PHE 35 Cb -0.05 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 1f28 s PHE 35 CO 0.00 0.33 0.75 0.00 -1.46 0.00 0.00 175.22 174.83 1f28 n ALA 36 N 3.18 -2.24 -1.39 11.12 0.00 -0.10 -4.99 120.51 126.08 1f28 n ALA 36 Ca -0.17 -0.15 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 1f28 n ALA 36 Cb 0.53 -3.14 0.14 0.00 0.00 0.00 0.00 19.45 16.97 1f28 n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1f28 s PRO 37 N -5.76 1.14 0.31 0.00 0.04 -1.26 -4.94 135.00 124.53 1f28 s PRO 37 Ca 0.21 0.49 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 1f28 s PRO 37 Cb -0.06 -1.82 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 1f28 s PRO 37 CO 0.82 -2.24 1.55 0.43 0.04 0.00 0.00 177.00 177.60 1f28 n SER 38 N -3.83 3.74 -4.72 6.66 7.64 -1.26 -4.64 113.62 117.21 1f28 n SER 38 Ca 0.06 1.17 -0.37 0.00 1.01 0.00 0.00 58.87 60.74 1f28 n SER 38 Cb 0.58 -1.59 0.07 0.00 -1.01 0.00 0.00 64.21 62.26 1f28 n SER 38 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1f28 n PRO 39 N 1.67 1.00 -3.62 1.43 -0.02 -1.26 -4.93 135.00 129.27 1f28 n PRO 39 Ca 0.07 0.40 -0.38 0.00 -2.02 0.00 0.00 63.50 61.57 1f28 n PRO 39 Cb 0.37 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 1f28 n PRO 39 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1f28 s LEU 40 N -4.32 4.43 -0.03 2.45 1.43 -0.76 -4.91 118.68 116.97 1f28 s LEU 40 Ca 0.82 0.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.74 1f28 s LEU 40 Cb -0.37 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 1f28 s LEU 40 CO 0.42 0.33 -0.20 -0.75 0.23 0.00 0.00 176.35 176.37 1f28 s LYS 41 N -0.92 1.81 -0.05 1.70 2.20 -1.26 -0.23 119.74 122.99 1f28 s LYS 41 Ca 0.20 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1f28 s LYS 41 Cb -0.15 -1.66 0.01 0.00 -1.51 0.00 0.00 37.83 34.52 1f28 s LYS 41 CO 0.10 0.38 -0.10 -0.06 -0.36 0.00 0.00 175.35 175.31 1f28 s PHE 42 N -0.30 1.20 -0.07 4.03 0.08 0.12 -4.93 117.98 118.11 1f28 s PHE 42 Ca 0.03 -0.39 -0.23 0.00 0.12 0.00 0.00 56.93 56.46 1f28 s PHE 42 Cb -0.10 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.42 1f28 s PHE 42 CO 0.01 -0.21 0.69 0.45 -0.10 0.00 0.00 175.22 176.05 1f28 s SER 43 N 0.56 6.97 -0.02 1.36 0.15 -1.26 -0.46 113.70 121.00 1f28 s SER 43 Ca -0.11 1.16 0.20 0.00 0.70 0.00 0.00 55.95 57.91 1f28 s SER 43 Cb -0.14 -2.40 0.61 0.00 -1.71 0.00 0.00 66.02 62.38 1f28 s SER 43 CO 0.02 -0.11 1.51 0.18 1.20 0.00 0.00 173.24 176.04 1f28 n LEU 44 N 3.79 3.93 -4.81 3.45 4.32 0.53 -4.68 117.00 123.53 1f28 n LEU 44 Ca -0.02 -2.08 -0.30 0.00 -0.02 0.00 0.00 56.01 53.59 1f28 n LEU 44 Cb 0.51 -0.47 0.07 0.00 -1.62 0.00 0.00 43.42 41.92 1f28 n LEU 44 CO 0.47 0.92 0.71 -0.13 -1.22 0.00 0.00 177.39 178.14 1f28 s ARG 45 N -1.15 2.46 -1.51 3.23 0.52 -1.25 -3.53 118.95 117.71 1f28 s ARG 45 Ca 0.45 0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 56.46 1f28 s ARG 45 Cb 0.25 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.78 1f28 s ARG 45 CO 0.29 -1.40 0.14 0.09 0.02 0.00 0.00 175.30 174.44 1f28 n ASN 46 N -3.31 -5.25 -1.04 0.23 3.02 -1.26 -1.29 115.26 106.36 1f28 n ASN 46 Ca 0.07 -0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.46 1f28 n ASN 46 Cb 0.55 -4.36 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 1f28 n ASN 46 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1f28 n LYS 47 N -3.18 -1.56 -1.96 3.52 5.02 -1.23 -4.91 118.16 113.86 1f28 n LYS 47 Ca -0.18 0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 1f28 n LYS 47 Cb 0.65 -5.34 -0.02 0.00 -0.02 0.00 0.00 35.03 30.29 1f28 n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1f28 s THR 48 N -2.20 2.59 -0.19 -0.18 2.01 -0.42 -0.36 115.64 116.90 1f28 s THR 48 Ca 0.00 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1f28 s THR 48 Cb 0.00 -3.30 0.04 0.00 0.01 0.00 0.00 72.50 69.25 1f28 s THR 48 CO 0.00 0.06 -0.11 0.12 -0.69 0.00 0.00 174.62 174.00 1f28 s PHE 49 N 0.39 2.41 -0.87 4.92 5.36 -0.65 -4.45 117.98 125.09 1f28 s PHE 49 Ca 0.63 -1.55 -0.18 0.00 -0.96 0.00 0.00 56.93 54.87 1f28 s PHE 49 Cb -0.43 -1.65 -0.12 0.00 -0.34 0.00 0.00 43.02 40.48 1f28 s PHE 49 CO 0.40 -0.74 2.00 -0.35 -1.46 0.00 0.00 175.22 175.07 1f28 n PRO 50 N 4.69 1.76 -3.58 10.12 -0.04 -1.26 -3.76 135.00 142.92 1f28 n PRO 50 Ca -0.15 -1.86 -0.40 0.00 -0.04 0.00 0.00 63.50 61.05 1f28 n PRO 50 Cb 0.47 -2.87 -0.11 0.00 -0.04 0.00 0.00 33.50 30.95 1f28 n PRO 50 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1f28 s LEU 51 N 1.07 4.46 0.21 1.53 2.96 -1.26 -4.35 118.68 123.30 1f28 s LEU 51 Ca 0.53 -0.61 -0.31 0.00 -0.22 0.00 0.00 54.13 53.52 1f28 s LEU 51 Cb 0.14 -2.07 -0.15 0.00 0.50 0.00 0.00 46.19 44.61 1f28 s LEU 51 CO 0.07 -0.27 1.23 0.18 -1.32 0.00 0.00 176.35 176.24 1f28 n LEU 52 N 5.04 2.16 -0.06 -0.68 4.32 -1.26 -4.69 117.00 121.84 1f28 n LEU 52 Ca -0.13 1.15 -0.01 0.00 -0.02 0.00 0.00 56.01 57.00 1f28 n LEU 52 Cb 0.49 -1.31 -0.16 0.00 -1.62 0.00 0.00 43.42 40.82 1f28 n LEU 52 CO 0.36 -1.01 -0.97 0.35 -1.22 0.00 0.00 177.39 174.90 1f28 n THR 53 N 1.45 0.81 0.74 -5.08 -2.24 -1.26 -4.32 114.28 104.39 1f28 n THR 53 Ca 0.13 -0.71 0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1f28 n THR 53 Cb 0.28 -0.28 0.38 0.00 -2.10 0.00 0.00 70.33 68.61 1f28 n THR 53 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1f28 n THR 54 N -2.55 0.42 -3.58 4.28 -2.24 -1.26 -0.85 114.28 108.50 1f28 n THR 54 Ca -0.20 0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 1f28 n THR 54 Cb 0.91 -0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 1f28 n THR 54 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1f28 s LYS 55 N -2.39 0.50 -0.10 -0.78 2.20 -1.26 -4.62 119.74 113.29 1f28 s LYS 55 Ca 0.16 1.23 -0.36 0.00 -0.36 0.00 0.00 55.97 56.63 1f28 s LYS 55 Cb 0.10 0.70 -0.14 0.00 -1.51 0.00 0.00 37.83 36.98 1f28 s LYS 55 CO 0.20 -0.17 1.73 -2.13 -0.36 0.00 0.00 175.35 174.62 1f28 n ARG 56 N 5.22 1.70 -3.83 4.03 0.63 -1.22 -4.80 116.66 118.39 1f28 n ARG 56 Ca -0.12 0.62 -0.35 0.00 -0.92 0.00 0.00 57.85 57.08 1f28 n ARG 56 Cb 0.51 -2.38 -0.09 0.00 0.45 0.00 0.00 32.46 30.95 1f28 n ARG 56 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1f28 s VAL 57 N 3.04 5.14 -1.10 5.15 1.01 -1.26 -4.75 120.40 127.63 1f28 s VAL 57 Ca 0.92 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 62.76 1f28 s VAL 57 Cb -0.85 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1f28 s VAL 57 CO 0.54 0.44 1.96 0.12 0.00 0.00 0.00 175.10 178.15 1f28 s PHE 58 N 0.47 1.86 0.41 5.22 5.99 -1.26 -4.74 117.98 125.92 1f28 s PHE 58 Ca 0.06 0.65 0.15 0.00 0.00 0.00 0.00 56.93 57.79 1f28 s PHE 58 Cb -0.12 -3.96 0.93 0.00 0.00 0.00 0.00 43.02 39.87 1f28 s PHE 58 CO -0.00 -1.31 1.92 0.97 -0.00 0.00 0.00 175.22 176.80 1f28 h ILE 59 N 6.50 1.12 -0.46 3.12 6.09 -1.99 -1.99 117.51 129.91 1f28 h ILE 59 Ca 0.17 -0.91 -0.06 0.00 -1.37 0.00 0.00 64.86 62.69 1f28 h ILE 59 Cb 0.96 1.50 -0.02 0.00 0.47 0.00 0.00 36.82 39.73 1f28 h ILE 59 CO 1.20 0.25 0.03 -0.09 -3.07 0.00 0.00 178.15 176.48 1f28 h ARG 60 N 0.00 0.73 -0.21 2.19 2.43 -2.00 -0.20 114.38 117.32 1f28 h ARG 60 Ca -0.00 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.87 1f28 h ARG 60 Cb 0.48 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1f28 h ARG 60 CO 0.03 0.72 -0.39 0.78 -1.51 0.00 0.00 179.97 179.60 1f28 h GLY 61 N 0.94 0.53 0.82 2.80 0.00 -1.77 -1.20 103.07 105.19 1f28 h GLY 61 Ca 0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1f28 h GLY 61 CO 0.01 0.46 0.00 -2.08 0.00 0.00 0.00 176.54 174.94 1f28 h VAL 62 N 0.40 1.15 -0.28 4.60 2.07 -0.85 -1.30 116.25 122.03 1f28 h VAL 62 Ca 0.04 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 1f28 h VAL 62 Cb 0.87 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1f28 h VAL 62 CO 0.07 0.11 0.12 0.40 0.02 0.00 0.00 177.57 178.30 1f28 h ILE 63 N -0.16 1.17 -0.39 4.57 2.04 -0.94 -1.79 117.51 122.02 1f28 h ILE 63 Ca 0.00 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1f28 h ILE 63 Cb 0.18 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1f28 h ILE 63 CO -0.00 0.18 0.16 -0.08 0.00 0.00 0.00 178.15 178.40 1f28 h GLU 64 N 0.31 0.58 -0.43 2.37 4.57 -1.21 -0.02 114.58 120.75 1f28 h GLU 64 Ca 0.10 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1f28 h GLU 64 Cb 0.17 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1f28 h GLU 64 CO -0.01 0.55 0.22 1.49 -1.18 0.00 0.00 179.01 180.08 1f28 h GLU 65 N 0.48 0.44 -0.40 1.92 4.81 -1.15 -0.87 114.58 119.80 1f28 h GLU 65 Ca 0.13 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1f28 h GLU 65 Cb 0.18 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1f28 h GLU 65 CO -0.01 0.29 0.22 1.25 -0.73 0.00 0.00 179.01 180.02 1f28 h LEU 66 N 0.45 0.33 -1.29 1.64 6.46 -1.02 0.13 115.31 122.01 1f28 h LEU 66 Ca 0.18 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1f28 h LEU 66 Cb 0.07 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1f28 h LEU 66 CO -0.12 0.24 0.29 -0.07 -0.62 0.00 0.00 178.44 178.17 1f28 h LEU 67 N 0.44 0.70 -0.32 2.25 4.07 -0.65 -0.77 115.31 121.02 1f28 h LEU 67 Ca 0.16 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 1f28 h LEU 67 Cb 0.04 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1f28 h LEU 67 CO -0.10 0.58 -0.05 -0.25 -1.08 0.00 0.00 178.44 177.54 1f28 h TRP 68 N 0.79 0.67 -0.01 1.13 7.01 -0.38 -2.00 115.95 123.15 1f28 h TRP 68 Ca 0.20 -0.14 0.03 0.00 2.11 0.00 0.00 58.89 61.09 1f28 h TRP 68 Cb 0.05 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1f28 h TRP 68 CO 0.01 0.76 -0.16 0.74 -2.79 0.00 0.00 178.44 177.00 1f28 h PHE 69 N 0.38 -0.41 -0.23 2.65 0.04 -0.09 -2.35 116.94 116.93 1f28 h PHE 69 Ca 0.08 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.89 1f28 h PHE 69 Cb 0.53 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1f28 h PHE 69 CO 0.05 -0.23 0.15 0.82 -0.60 0.00 0.00 178.31 178.50 1f28 h ILE 70 N -0.26 1.01 0.00 -0.55 2.04 -1.06 0.11 117.51 118.80 1f28 h ILE 70 Ca 0.06 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1f28 h ILE 70 Cb 0.33 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1f28 h ILE 70 CO -0.16 0.04 0.00 0.54 0.00 0.00 0.00 178.15 178.57 1f28 n ARG 71 N -4.50 0.67 -1.62 2.37 1.74 -0.76 -4.86 116.66 109.69 1f28 n ARG 71 Ca 0.01 0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.03 1f28 n ARG 71 Cb 0.14 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 1f28 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f28 n GLY 72 N 0.84 0.54 3.81 -0.13 0.00 0.37 -5.01 105.19 105.61 1f28 n GLY 72 Ca 0.18 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1f28 n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f28 s GLU 73 N -3.39 4.30 0.00 1.61 0.41 -1.00 -4.13 118.70 116.51 1f28 s GLU 73 Ca 0.00 1.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.61 1f28 s GLU 73 Cb 0.00 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1f28 s GLU 73 CO 0.00 0.20 0.64 0.25 -0.49 0.00 0.00 175.26 175.85 1f28 n THR 74 N 0.09 0.29 -3.28 3.63 -2.24 -1.26 -4.54 114.28 106.97 1f28 n THR 74 Ca 0.03 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 1f28 n THR 74 Cb 0.52 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.54 1f28 n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f28 s ASP 75 N -0.29 6.20 0.45 3.42 3.68 -1.26 -1.15 116.67 127.72 1f28 s ASP 75 Ca 0.00 -0.81 0.31 0.00 2.13 0.00 0.00 52.55 54.18 1f28 s ASP 75 Cb 0.00 -2.24 1.53 0.00 -1.45 0.00 0.00 42.92 40.76 1f28 s ASP 75 CO 0.00 -0.67 1.94 0.77 0.13 0.00 0.00 175.17 177.33 1f28 h SER 76 N 8.80 0.00 0.24 -0.34 4.64 -1.29 -2.01 113.55 123.59 1f28 h SER 76 Ca -0.27 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 1f28 h SER 76 Cb 1.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1f28 h SER 76 CO 0.85 0.00 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.46 1f28 h LEU 77 N 0.00 0.07 -1.20 5.97 3.38 -1.93 -0.87 115.31 120.73 1f28 h LEU 77 Ca 0.00 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1f28 h LEU 77 Cb 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1f28 h LEU 77 CO 0.00 0.35 0.56 0.11 0.09 0.00 0.00 178.44 179.55 1f28 h LYS 78 N 0.07 1.00 -0.01 1.13 6.56 -1.75 0.13 116.57 123.69 1f28 h LYS 78 Ca 0.01 -0.06 -0.17 0.00 -1.06 0.00 0.00 60.65 59.37 1f28 h LYS 78 Cb 0.53 -0.23 0.01 0.00 -0.57 0.00 0.00 32.23 31.98 1f28 h LYS 78 CO 0.04 0.66 -0.65 -0.07 -2.06 0.00 0.00 179.45 177.37 1f28 h LEU 79 N 1.03 0.58 -1.15 2.94 4.07 -1.54 -3.27 115.31 117.97 1f28 h LEU 79 Ca 0.34 -0.75 0.11 0.00 0.08 0.00 0.00 57.88 57.66 1f28 h LEU 79 Cb 0.07 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.56 1f28 h LEU 79 CO -0.11 1.25 0.60 -0.09 -1.08 0.00 0.00 178.44 179.01 1f28 h ARG 80 N -0.03 0.89 0.00 1.13 2.43 -0.47 0.11 114.38 118.44 1f28 h ARG 80 Ca -0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1f28 h ARG 80 Cb 1.35 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1f28 h ARG 80 CO 0.13 0.59 -0.02 0.93 -1.51 0.00 0.00 179.97 180.08 1f28 h GLU 81 N 0.91 0.00 -0.60 0.20 5.08 -1.05 0.58 114.58 119.71 1f28 h GLU 81 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1f28 h GLU 81 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1f28 h GLU 81 CO -0.20 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.46 1f28 n LYS 82 N -3.47 4.12 -3.48 2.33 5.02 0.33 -4.94 118.16 118.08 1f28 n LYS 82 Ca -0.03 -2.98 -0.21 0.00 -2.02 0.00 0.00 58.31 53.07 1f28 n LYS 82 Cb 0.12 -2.02 0.07 0.00 -0.02 0.00 0.00 35.03 33.18 1f28 n LYS 82 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1f28 n ASN 83 N 0.86 -5.87 -4.13 4.39 3.02 0.20 -5.00 115.26 108.72 1f28 n ASN 83 Ca 0.26 -0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 54.00 1f28 n ASN 83 Cb 1.00 -4.58 -0.16 0.00 -0.61 0.00 0.00 39.78 35.44 1f28 n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1f28 s ILE 84 N -3.29 2.18 -0.78 2.41 1.01 -0.81 -5.00 121.20 116.91 1f28 s ILE 84 Ca 0.52 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1f28 s ILE 84 Cb -0.23 -1.94 0.13 0.00 0.01 0.00 0.00 42.46 40.43 1f28 s ILE 84 CO 0.66 0.49 0.96 1.41 0.00 0.00 0.00 174.94 178.46 1f28 n HIS 85 N 4.62 0.16 0.24 3.97 8.25 -1.26 -2.92 115.22 128.28 1f28 n HIS 85 Ca -0.20 -0.25 0.17 0.00 -0.26 0.00 0.00 57.72 57.17 1f28 n HIS 85 Cb 0.50 -0.02 0.87 0.00 1.12 0.00 0.00 29.99 32.46 1f28 n HIS 85 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1f28 h ILE 86 N 1.42 0.42 -0.01 1.59 5.03 -1.98 -2.40 117.51 121.58 1f28 h ILE 86 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1f28 h ILE 86 Cb 0.49 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 35.15 1f28 h ILE 86 CO 0.00 0.00 -0.50 0.79 -0.68 0.00 0.00 178.15 177.76 1f28 n TRP 87 N -3.70 0.00 -0.12 1.37 7.02 -1.26 -4.53 117.44 116.22 1f28 n TRP 87 Ca 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.42 1f28 n TRP 87 Cb 0.27 -0.02 0.02 0.00 -2.42 0.00 0.00 31.31 29.16 1f28 n TRP 87 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1f28 h ASP 88 N 2.07 0.19 -0.64 -0.99 3.45 -1.75 -2.40 116.42 116.34 1f28 h ASP 88 Ca 0.00 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1f28 h ASP 88 Cb 0.71 0.01 -0.03 0.00 -0.56 0.00 0.00 39.33 39.46 1f28 h ASP 88 CO 0.00 0.14 0.33 0.00 -1.57 0.00 0.00 179.24 178.14 1f28 h ALA 89 N 1.23 0.83 0.00 3.45 0.00 -1.80 -1.80 119.26 121.17 1f28 h ALA 89 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1f28 h ALA 89 Cb 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1f28 h ALA 89 CO -0.16 0.37 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1f28 n ASN 90 N -4.51 0.00 -0.65 0.00 4.13 -1.15 -2.64 115.26 110.45 1f28 n ASN 90 Ca 0.05 0.34 0.09 0.00 1.68 0.00 0.00 54.58 56.74 1f28 n ASN 90 Cb 0.11 -0.44 0.05 0.00 -1.54 0.00 0.00 39.78 37.96 1f28 n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f28 n GLY 91 N 0.93 0.32 3.78 7.41 0.00 -0.84 -4.59 105.19 112.19 1f28 n GLY 91 Ca 0.07 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1f28 n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f28 s SER 92 N -1.72 5.72 0.20 1.61 1.04 -0.74 -0.32 113.70 119.50 1f28 s SER 92 Ca 0.20 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.63 1f28 s SER 92 Cb 0.15 -2.57 0.26 0.00 0.10 0.00 0.00 66.02 63.96 1f28 s SER 92 CO 0.30 -1.21 1.70 -0.09 0.98 0.00 0.00 173.24 174.92 1f28 h ARG 93 N 1.07 0.22 0.08 4.02 9.65 -1.91 -0.06 114.38 127.45 1f28 h ARG 93 Ca -0.49 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.39 1f28 h ARG 93 Cb 1.25 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 1f28 h ARG 93 CO 0.57 0.15 -0.20 1.49 2.80 0.00 0.00 179.97 184.78 1f28 h GLU 94 N 0.23 -0.34 -0.03 0.20 4.81 -1.93 -1.10 114.58 116.41 1f28 h GLU 94 Ca 0.29 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1f28 h GLU 94 Cb 0.43 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1f28 h GLU 94 CO -0.39 -0.23 0.01 -0.92 -0.73 0.00 0.00 179.01 176.75 1f28 h TYR 95 N -0.36 0.04 -0.63 0.92 3.20 -1.66 -1.65 116.97 116.83 1f28 h TYR 95 Ca 0.03 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1f28 h TYR 95 Cb 0.39 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.54 1f28 h TYR 95 CO -0.20 0.17 0.01 -0.07 -1.64 0.00 0.00 178.16 176.42 1f28 h LEU 96 N -0.10 -0.27 -0.99 2.82 4.07 -0.91 0.15 115.31 120.08 1f28 h LEU 96 Ca 0.01 0.15 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 1f28 h LEU 96 Cb 0.14 0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.14 1f28 h LEU 96 CO -0.00 -0.12 -0.28 0.44 -1.08 0.00 0.00 178.44 177.41 1f28 h ASP 97 N 0.12 0.40 0.08 -0.43 3.32 -1.05 0.45 116.42 119.31 1f28 h ASP 97 Ca 0.33 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1f28 h ASP 97 Cb 0.53 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1f28 h ASP 97 CO -0.54 0.67 -0.01 0.77 -1.72 0.00 0.00 179.24 178.41 1f28 h SER 98 N 0.35 0.00 -0.24 6.45 4.64 0.01 0.79 113.55 125.54 1f28 h SER 98 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1f28 h SER 98 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1f28 h SER 98 CO 0.05 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.32 1f28 n ILE 99 N -3.43 2.10 -0.94 0.95 -5.35 -0.95 -4.98 119.36 106.76 1f28 n ILE 99 Ca -0.03 -1.80 0.00 0.00 -0.27 0.00 0.00 62.75 60.65 1f28 n ILE 99 Cb 0.10 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 1f28 n ILE 99 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1f28 n GLY 100 N -0.48 0.63 2.72 3.28 0.00 0.27 -4.96 105.19 106.65 1f28 n GLY 100 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1f28 n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1f28 n LEU 101 N 0.00 7.23 0.15 0.99 4.77 0.11 -4.74 117.00 125.51 1f28 n LEU 101 Ca 0.00 -5.04 0.13 0.00 -0.03 0.00 0.00 56.01 51.07 1f28 n LEU 101 Cb 0.00 -1.32 0.53 0.00 -2.33 0.00 0.00 43.42 40.30 1f28 n LEU 101 CO 0.00 1.83 0.88 0.71 -1.33 0.00 0.00 177.39 179.48 1f28 h THR 102 N 2.92 0.00 -0.16 -5.08 1.35 -1.87 -2.85 112.91 107.21 1f28 h THR 102 Ca 0.49 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1f28 h THR 102 Cb 0.44 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1f28 h THR 102 CO 1.40 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.96 1f28 n LYS 103 N -2.37 1.81 -3.08 4.72 5.02 -1.26 -4.95 118.16 118.05 1f28 n LYS 103 Ca 0.02 -1.77 -0.40 0.00 -2.02 0.00 0.00 58.31 54.14 1f28 n LYS 103 Cb 0.24 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1f28 n LYS 103 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1f28 s ARG 104 N -1.34 4.36 0.38 1.97 6.06 -1.08 -5.04 118.95 124.26 1f28 s ARG 104 Ca 0.25 0.78 -0.26 0.00 -2.50 0.00 0.00 55.73 53.99 1f28 s ARG 104 Cb 0.16 -3.48 -0.09 0.00 0.06 0.00 0.00 34.95 31.60 1f28 s ARG 104 CO 0.23 -0.02 1.24 -0.65 -2.50 0.00 0.00 175.30 173.60 1f28 s GLN 105 N 1.13 4.12 0.24 5.12 -1.52 -1.26 -4.93 119.66 122.55 1f28 s GLN 105 Ca 0.34 2.03 -0.31 0.00 -1.95 0.00 0.00 55.36 55.47 1f28 s GLN 105 Cb -0.17 -2.82 -0.14 0.00 -0.22 0.00 0.00 33.01 29.67 1f28 s GLN 105 CO 0.15 -0.32 1.35 -1.91 -0.25 0.00 0.00 175.29 174.31 1f28 n GLU 106 N 0.31 1.89 0.00 2.91 2.13 -1.26 -1.39 120.64 125.22 1f28 n GLU 106 Ca 0.03 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.52 1f28 n GLU 106 Cb 0.44 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1f28 n GLU 106 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1f28 n GLY 107 N 2.02 3.33 3.53 8.31 0.00 0.56 -4.96 105.19 117.99 1f28 n GLY 107 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1f28 n GLY 107 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f28 s ASP 108 N -0.79 6.40 0.05 1.61 -1.08 -0.49 -0.73 116.67 121.63 1f28 s ASP 108 Ca 0.00 -1.24 0.13 0.00 -0.52 0.00 0.00 52.55 50.92 1f28 s ASP 108 Cb 0.00 -2.52 0.55 0.00 -1.46 0.00 0.00 42.92 39.49 1f28 s ASP 108 CO 0.00 -1.52 1.40 0.18 0.52 0.00 0.00 175.17 175.75 1f28 n LEU 109 N 8.52 0.12 0.00 -1.34 4.77 -0.30 -4.83 117.00 123.93 1f28 n LEU 109 Ca 0.20 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.71 1f28 n LEU 109 Cb 0.50 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1f28 n LEU 109 CO 0.65 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1f28 n GLY 110 N -0.41 -2.57 2.67 -0.72 0.00 -1.26 -0.89 105.19 102.02 1f28 n GLY 110 Ca 0.02 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1f28 n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1f28 n PRO 111 N -0.20 2.84 -0.32 1.61 -0.04 -1.26 -4.80 135.00 132.83 1f28 n PRO 111 Ca 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1f28 n PRO 111 Cb 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 1f28 n PRO 111 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1f28 n ILE 112 N 4.81 0.00 0.00 0.52 -5.35 -1.26 -4.52 119.36 113.56 1f28 n ILE 112 Ca 0.58 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.06 1f28 n ILE 112 Cb 0.34 -1.63 0.00 0.00 -1.74 0.00 0.00 39.64 36.61 1f28 n ILE 112 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1f28 n TYR 113 N -1.40 0.00 -0.34 4.28 4.01 -1.26 -0.96 117.16 121.48 1f28 n TYR 113 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.88 1f28 n TYR 113 Cb 0.00 0.00 0.35 0.00 -0.31 0.00 0.00 39.34 39.38 1f28 n TYR 113 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1f28 h GLY 114 N 0.00 1.71 0.94 2.72 0.00 -1.80 0.14 103.07 106.78 1f28 h GLY 114 Ca 0.00 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1f28 h GLY 114 CO 0.00 -0.07 -0.11 -2.75 0.00 0.00 0.00 176.54 173.61 1f28 h PHE 115 N 0.72 0.77 -0.63 5.60 3.04 -1.20 -2.43 116.94 122.79 1f28 h PHE 115 Ca 0.58 -0.17 -0.07 0.00 3.98 0.00 0.00 57.97 62.28 1f28 h PHE 115 Cb 0.96 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.26 1f28 h PHE 115 CO -0.00 0.85 0.13 1.96 -2.02 0.00 0.00 178.31 179.23 1f28 h GLN 116 N 0.46 1.04 -0.76 1.11 1.08 -0.45 0.43 115.11 118.01 1f28 h GLN 116 Ca 0.08 -0.27 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1f28 h GLN 116 Cb 0.62 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 1f28 h GLN 116 CO 0.04 0.95 0.46 -1.49 -0.95 0.00 0.00 178.83 177.85 1f28 h TRP 117 N 0.95 0.86 0.00 2.96 4.06 -0.67 -2.35 115.95 121.76 1f28 h TRP 117 Ca 0.20 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.17 1f28 h TRP 117 Cb 0.40 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1f28 h TRP 117 CO 0.03 0.46 -1.44 0.54 -3.56 0.00 0.00 178.44 174.47 1f28 n ARG 118 N -4.66 0.61 -2.65 0.49 5.12 -0.93 -1.37 116.66 113.27 1f28 n ARG 118 Ca 0.09 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1f28 n ARG 118 Cb 0.13 -1.44 0.05 0.00 -1.16 0.00 0.00 32.46 30.04 1f28 n ARG 118 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1f28 n HIS 119 N -1.85 0.73 -1.64 -1.55 8.25 0.15 -3.38 115.22 115.93 1f28 n HIS 119 Ca -0.00 -1.90 -0.53 0.00 -0.26 0.00 0.00 57.72 55.03 1f28 n HIS 119 Cb 0.42 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1f28 n HIS 119 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1f28 n PHE 120 N -0.59 1.82 0.00 4.41 -0.00 -0.67 -1.07 117.46 121.36 1f28 n PHE 120 Ca 0.04 0.52 0.00 0.00 -0.00 0.00 0.00 57.45 58.00 1f28 n PHE 120 Cb 0.84 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.91 1f28 n PHE 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1f28 n GLY 121 N 3.24 2.02 3.77 7.13 0.00 -1.26 -0.67 105.19 119.41 1f28 n GLY 121 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1f28 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f28 s ALA 122 N -2.34 2.59 -0.32 4.61 0.00 -0.23 -4.81 121.76 121.25 1f28 s ALA 122 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1f28 s ALA 122 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1f28 s ALA 122 CO 0.00 -1.02 1.22 -2.00 0.00 0.00 0.00 175.76 173.97 1f28 s GLU 123 N -3.50 3.94 0.11 0.00 2.12 -1.26 -4.99 118.70 115.13 1f28 s GLU 123 Ca 0.73 1.14 -0.30 0.00 0.36 0.00 0.00 54.97 56.90 1f28 s GLU 123 Cb -0.25 -3.84 -0.06 0.00 0.26 0.00 0.00 34.13 30.24 1f28 s GLU 123 CO 0.32 -1.08 1.13 -0.47 -0.54 0.00 0.00 175.26 174.63 1f28 s TYR 124 N 4.17 3.53 0.00 5.30 5.04 -1.26 -4.94 117.35 129.19 1f28 s TYR 124 Ca 0.52 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 1f28 s TYR 124 Cb -0.15 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.84 1f28 s TYR 124 CO 0.21 -0.85 0.00 -0.89 -1.34 0.00 0.00 175.55 172.69 1f28 n ILE 125 N 3.14 0.00 -3.94 3.14 5.41 -1.26 -5.08 119.36 120.78 1f28 n ILE 125 Ca 0.06 0.20 -0.11 0.00 1.00 0.00 0.00 62.75 63.90 1f28 n ILE 125 Cb 0.47 -1.15 -0.02 0.00 -0.71 0.00 0.00 39.64 38.23 1f28 n ILE 125 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1f28 s ASP 126 N -3.64 0.25 0.00 4.38 1.47 -1.26 -5.04 116.67 112.83 1f28 s ASP 126 Ca 0.00 -1.15 0.14 0.00 1.18 0.00 0.00 52.55 52.71 1f28 s ASP 126 Cb 0.00 0.73 0.81 0.00 -0.34 0.00 0.00 42.92 44.12 1f28 s ASP 126 CO 0.00 -1.43 1.37 0.00 0.68 0.00 0.00 175.17 175.79 1f28 n LYS 128 N -0.77 1.43 -3.32 0.00 5.02 -1.26 -4.66 118.16 114.60 1f28 n LYS 128 Ca 0.10 -1.32 -0.33 0.00 -2.02 0.00 0.00 58.31 54.73 1f28 n LYS 128 Cb 0.05 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1f28 n LYS 128 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1f28 s THR 129 N -0.74 4.83 -0.51 -0.18 -4.23 -1.10 -5.02 115.64 108.68 1f28 s THR 129 Ca 0.09 0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 61.08 1f28 s THR 129 Cb 0.05 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.26 1f28 s THR 129 CO 0.07 0.02 1.01 0.21 -0.54 0.00 0.00 174.62 175.39 1f28 s ASN 130 N -2.09 6.46 0.00 3.99 2.47 -1.26 -4.91 114.94 119.60 1f28 s ASN 130 Ca 0.45 0.03 0.21 0.00 0.42 0.00 0.00 52.86 53.97 1f28 s ASN 130 Cb -0.13 -2.48 0.54 0.00 -1.45 0.00 0.00 41.25 37.74 1f28 s ASN 130 CO 0.20 -1.21 1.45 -1.22 -3.72 0.00 0.00 177.10 172.60 1f28 n TYR 131 N 7.57 0.47 -1.53 0.43 4.01 -1.26 -5.00 117.16 121.86 1f28 n TYR 131 Ca 0.06 -0.24 -0.53 0.00 -0.16 0.00 0.00 57.90 57.03 1f28 n TYR 131 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 1f28 n TYR 131 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 1f28 n ILE 132 N 1.01 0.44 -0.30 -0.72 3.06 -1.26 -0.59 119.36 121.00 1f28 n ILE 132 Ca 0.18 -0.11 0.00 0.00 -2.50 0.00 0.00 62.75 60.32 1f28 n ILE 132 Cb 0.48 -0.44 0.00 0.00 0.54 0.00 0.00 39.64 40.22 1f28 n ILE 132 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1f28 n GLY 133 N 1.96 1.81 3.87 4.50 0.00 -1.26 -5.00 105.19 111.07 1f28 n GLY 133 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1f28 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1f28 s GLN 134 N -0.07 3.72 1.14 1.61 -0.21 0.24 -4.98 119.66 121.12 1f28 s GLN 134 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.49 1f28 s GLN 134 Cb 0.00 -2.96 0.00 0.00 1.00 0.00 0.00 33.01 31.05 1f28 s GLN 134 CO 0.00 0.54 0.00 0.41 -2.12 0.00 0.00 175.29 174.12 1f28 n GLY 135 N 0.74 -1.64 3.68 3.09 0.00 -1.26 -4.44 105.19 105.36 1f28 n GLY 135 Ca -0.07 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1f28 n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f28 s VAL 136 N -0.50 5.32 -1.04 1.61 1.01 0.15 -4.73 120.40 122.23 1f28 s VAL 136 Ca 0.00 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.16 1f28 s VAL 136 Cb 0.00 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.96 1f28 s VAL 136 CO 0.00 0.34 1.25 -0.62 0.00 0.00 0.00 175.10 176.07 1f28 s ASP 137 N 0.87 6.81 0.20 3.32 3.68 -1.22 -1.67 116.67 128.67 1f28 s ASP 137 Ca 0.11 -2.45 -0.10 0.00 2.13 0.00 0.00 52.55 52.25 1f28 s ASP 137 Cb -0.13 -2.40 0.20 0.00 -1.45 0.00 0.00 42.92 39.15 1f28 s ASP 137 CO 0.04 -0.92 1.82 1.56 0.13 0.00 0.00 175.17 177.79 1f28 h GLN 138 N 8.13 0.68 -0.29 4.34 4.20 -1.48 -1.30 115.11 129.39 1f28 h GLN 138 Ca 0.22 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1f28 h GLN 138 Cb 0.96 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1f28 h GLN 138 CO 1.16 0.45 0.16 1.25 -0.67 0.00 0.00 178.83 181.18 1f28 h LEU 139 N 0.70 0.36 -0.91 1.46 5.85 -1.87 0.26 115.31 121.16 1f28 h LEU 139 Ca 0.28 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.85 1f28 h LEU 139 Cb 0.12 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1f28 h LEU 139 CO -0.15 0.34 0.03 0.00 -0.34 0.00 0.00 178.44 178.32 1f28 h ALA 140 N 1.04 1.10 -0.34 1.25 0.00 -1.85 -2.28 119.26 118.18 1f28 h ALA 140 Ca 0.10 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1f28 h ALA 140 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1f28 h ALA 140 CO -0.02 0.58 -0.17 -0.91 0.00 0.00 0.00 179.25 178.73 1f28 h ASN 141 N 0.78 0.63 -0.23 0.00 2.35 -0.74 -1.84 115.58 116.53 1f28 h ASN 141 Ca 0.16 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1f28 h ASN 141 Cb 0.42 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1f28 h ASN 141 CO 0.02 0.81 -0.01 0.40 -1.65 0.00 0.00 177.43 177.00 1f28 h ILE 142 N 0.57 1.26 -0.54 2.81 2.04 -0.67 -1.20 117.51 121.78 1f28 h ILE 142 Ca 0.09 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.06 1f28 h ILE 142 Cb 0.62 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1f28 h ILE 142 CO 0.04 0.28 0.32 0.40 0.00 0.00 0.00 178.15 179.20 1f28 h ILE 143 N 0.17 1.04 -0.51 -0.67 1.08 -1.25 -0.90 117.51 116.47 1f28 h ILE 143 Ca 0.06 -0.22 -0.08 0.00 -0.39 0.00 0.00 64.86 64.24 1f28 h ILE 143 Cb 0.42 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 1f28 h ILE 143 CO 0.01 0.12 -0.00 -0.61 -0.69 0.00 0.00 178.15 176.98 1f28 h GLN 144 N 0.63 0.86 -0.43 2.37 5.75 -1.24 -2.16 115.11 120.89 1f28 h GLN 144 Ca 0.22 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.35 1f28 h GLN 144 Cb 0.04 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 1f28 h GLN 144 CO -0.11 0.86 -0.22 0.87 -2.65 0.00 0.00 178.83 177.58 1f28 h LYS 145 N 0.80 0.86 -0.35 1.69 1.79 -0.81 -1.57 116.57 118.98 1f28 h LYS 145 Ca 0.15 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1f28 h LYS 145 Cb 0.48 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1f28 h LYS 145 CO 0.02 1.00 0.16 0.82 -1.08 0.00 0.00 179.45 180.37 1f28 h ILE 146 N 0.75 1.17 0.00 1.86 2.04 -0.97 0.62 117.51 122.98 1f28 h ILE 146 Ca 0.10 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1f28 h ILE 146 Cb 0.76 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1f28 h ILE 146 CO 0.06 0.18 0.00 0.54 0.00 0.00 0.00 178.15 178.93 1f28 n ARG 147 N -4.73 0.03 -0.07 2.37 1.74 -0.83 -3.12 116.66 112.05 1f28 n ARG 147 Ca -0.01 0.15 -0.14 0.00 -0.77 0.00 0.00 57.85 57.08 1f28 n ARG 147 Cb 0.11 -1.54 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1f28 n ARG 147 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1f28 n THR 148 N -1.58 0.72 -3.12 0.55 -1.04 -0.60 -4.90 114.28 104.31 1f28 n THR 148 Ca 0.05 -0.19 -0.19 0.00 -2.04 0.00 0.00 64.05 61.68 1f28 n THR 148 Cb 0.26 -1.64 -0.05 0.00 -1.82 0.00 0.00 70.33 67.08 1f28 n THR 148 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1f28 n SER 149 N -3.55 -1.05 -0.17 8.00 2.88 0.21 -5.03 113.62 114.91 1f28 n SER 149 Ca -0.26 -2.73 0.26 0.00 -1.33 0.00 0.00 58.87 54.81 1f28 n SER 149 Cb 0.69 0.14 0.69 0.00 -0.75 0.00 0.00 64.21 64.97 1f28 n SER 149 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f28 h PRO 150 N 4.62 0.06 -0.10 -1.46 0.13 -1.44 -2.05 132.00 131.77 1f28 h PRO 150 Ca 0.09 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1f28 h PRO 150 Cb 0.95 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1f28 h PRO 150 CO 0.35 0.04 0.00 0.66 -0.23 0.00 0.00 178.00 178.82 1f28 n TYR 151 N -4.32 0.13 -1.64 1.56 0.53 -1.26 -4.23 117.16 107.92 1f28 n TYR 151 Ca 0.18 -0.06 -0.44 0.00 -1.02 0.00 0.00 57.90 56.55 1f28 n TYR 151 Cb 0.89 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 39.18 1f28 n TYR 151 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 1f28 n ASP 152 N -0.24 2.07 -1.61 7.72 -0.08 -0.77 -4.90 116.55 118.73 1f28 n ASP 152 Ca 0.10 1.18 0.08 0.00 -1.51 0.00 0.00 54.79 54.64 1f28 n ASP 152 Cb 0.14 -1.38 0.35 0.00 2.34 0.00 0.00 41.12 42.57 1f28 n ASP 152 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1f28 n ARG 153 N 0.91 3.95 -0.31 -0.67 1.74 -1.26 -4.32 116.66 116.70 1f28 n ARG 153 Ca 0.08 -2.73 0.08 0.00 -0.77 0.00 0.00 57.85 54.51 1f28 n ARG 153 Cb 0.33 -2.00 0.17 0.00 -1.02 0.00 0.00 32.46 29.95 1f28 n ARG 153 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1f28 n ARG 154 N 0.84 1.45 -1.85 5.56 1.74 -1.26 -4.93 116.66 118.22 1f28 n ARG 154 Ca 0.24 -2.90 -0.42 0.00 -0.77 0.00 0.00 57.85 54.00 1f28 n ARG 154 Cb 0.95 -1.56 -0.01 0.00 -1.02 0.00 0.00 32.46 30.81 1f28 n ARG 154 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1f28 n LEU 155 N -1.28 5.75 -4.55 0.55 4.77 -1.26 -4.91 117.00 116.06 1f28 n LEU 155 Ca 0.18 -3.83 -0.34 0.00 -0.03 0.00 0.00 56.01 51.99 1f28 n LEU 155 Cb 0.67 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.05 1f28 n LEU 155 CO -0.01 0.48 -0.36 -0.63 -1.33 0.00 0.00 177.39 175.54 1f28 s ILE 156 N 4.20 3.83 -0.26 -0.08 -1.09 -1.26 -0.84 121.20 125.70 1f28 s ILE 156 Ca 0.52 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 1f28 s ILE 156 Cb 0.11 -2.62 0.05 0.00 -1.58 0.00 0.00 42.46 38.43 1f28 s ILE 156 CO -0.00 0.55 -0.10 -0.22 -1.23 0.00 0.00 174.94 173.94 1f28 s LEU 157 N -0.30 3.41 0.01 2.97 2.96 -0.47 -4.90 118.68 122.35 1f28 s LEU 157 Ca 0.05 -1.32 0.06 0.00 -0.22 0.00 0.00 54.13 52.70 1f28 s LEU 157 Cb -0.13 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1f28 s LEU 157 CO 0.02 -0.18 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.13 1f28 s SER 158 N 1.14 2.23 0.00 3.68 0.15 -1.26 -1.31 113.70 118.32 1f28 s SER 158 Ca -0.07 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 56.25 1f28 s SER 158 Cb -0.19 -0.22 0.13 0.00 -1.71 0.00 0.00 66.02 64.03 1f28 s SER 158 CO -0.05 0.19 0.93 0.00 1.20 0.00 0.00 173.24 175.51 1f28 n ALA 159 N 2.30 2.36 -2.61 5.45 0.00 -0.45 -4.32 120.51 123.23 1f28 n ALA 159 Ca -0.16 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.09 1f28 n ALA 159 Cb 0.54 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 1f28 n ALA 159 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1f28 s TRP 160 N -0.83 2.72 -0.36 0.00 -0.11 -1.19 -4.76 118.94 114.42 1f28 s TRP 160 Ca 0.13 0.22 0.01 0.00 1.22 0.00 0.00 56.10 57.69 1f28 s TRP 160 Cb 0.08 -4.27 0.11 0.00 -1.50 0.00 0.00 33.47 27.89 1f28 s TRP 160 CO 0.12 -1.43 0.13 1.21 -4.62 0.00 0.00 176.95 172.35 1f28 s ASN 161 N 2.84 4.09 0.42 5.86 3.84 -1.26 -4.99 114.94 125.73 1f28 s ASN 161 Ca 0.37 -2.04 0.16 0.00 0.21 0.00 0.00 52.86 51.56 1f28 s ASN 161 Cb -0.10 -1.09 1.05 0.00 -0.55 0.00 0.00 41.25 40.56 1f28 s ASN 161 CO 0.23 -0.36 1.88 -0.65 -2.79 0.00 0.00 177.10 175.41 1f28 h PRO 162 N 7.59 0.42 0.00 0.43 0.11 -2.01 -0.45 132.00 138.09 1f28 h PRO 162 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1f28 h PRO 162 Cb 0.99 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1f28 h PRO 162 CO 0.49 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1f28 h ALA 163 N 1.62 1.00 -0.00 -0.75 0.00 -2.02 -3.08 119.26 116.03 1f28 h ALA 163 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1f28 h ALA 163 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1f28 h ALA 163 CO -0.16 0.00 -0.23 -0.25 0.00 0.00 0.00 179.25 178.61 1f28 n ASP 164 N -2.85 0.76 -0.30 0.00 8.00 -0.23 -4.74 116.55 117.20 1f28 n ASP 164 Ca 0.00 -0.88 0.13 0.00 0.71 0.00 0.00 54.79 54.75 1f28 n ASP 164 Cb 0.23 0.68 0.29 0.00 -0.02 0.00 0.00 41.12 42.30 1f28 n ASP 164 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1f28 h LEU 165 N 0.51 0.09 -1.88 0.64 4.07 -1.32 0.49 115.31 117.90 1f28 h LEU 165 Ca 0.00 0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 1f28 h LEU 165 Cb 0.22 0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1f28 h LEU 165 CO 0.00 -0.11 -0.12 -0.33 -1.08 0.00 0.00 178.44 176.79 1f28 h GLU 166 N 0.26 0.00 0.00 1.13 4.39 -1.85 -2.39 114.58 116.11 1f28 h GLU 166 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 1f28 h GLU 166 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1f28 h GLU 166 CO -0.61 0.12 -0.38 1.63 -1.16 0.00 0.00 179.01 178.61 1f28 n LYS 167 N -3.69 0.28 -2.93 2.33 5.02 0.14 -4.89 118.16 114.42 1f28 n LYS 167 Ca -0.02 0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 56.03 1f28 n LYS 167 Cb 0.24 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 1f28 n LYS 167 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1f28 s MET 168 N -3.14 4.53 0.39 1.97 -1.94 -0.90 -4.36 119.30 115.85 1f28 s MET 168 Ca 0.08 1.17 0.14 0.00 -1.71 0.00 0.00 55.69 55.37 1f28 s MET 168 Cb 0.13 -3.06 0.79 0.00 2.01 0.00 0.00 34.83 34.70 1f28 s MET 168 CO 0.67 0.45 1.86 0.00 -0.01 0.00 0.00 175.02 178.00 1f28 h ALA 169 N 3.81 1.43 -2.63 3.03 0.00 -1.33 -3.43 119.26 120.15 1f28 h ALA 169 Ca -0.47 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.03 1f28 h ALA 169 Cb 1.20 -0.05 -0.26 0.00 0.00 0.00 0.00 17.79 18.68 1f28 h ALA 169 CO 0.66 0.41 -0.27 -1.17 0.00 0.00 0.00 179.25 178.88 1f28 s LEU 170 N -8.22 -0.04 0.47 0.00 0.20 -1.26 -5.05 118.68 104.78 1f28 s LEU 170 Ca -0.03 0.91 -0.22 0.00 0.69 0.00 0.00 54.13 55.48 1f28 s LEU 170 Cb 0.15 1.41 -0.07 0.00 -0.43 0.00 0.00 46.19 47.24 1f28 s LEU 170 CO 0.72 -0.19 1.13 -2.84 -0.29 0.00 0.00 176.35 174.88 1f28 s PRO 171 N 1.20 3.72 0.17 0.98 0.02 -1.26 -4.92 135.00 134.91 1f28 s PRO 171 Ca -0.08 1.67 -0.33 0.00 0.02 0.00 0.00 61.00 62.28 1f28 s PRO 171 Cb -0.07 -2.30 -0.15 0.00 0.02 0.00 0.00 34.50 32.00 1f28 s PRO 171 CO -0.11 -0.56 1.40 -2.30 -0.33 0.00 0.00 177.00 175.10 1f28 n PRO 172 N -0.67 1.72 -0.08 5.54 -0.02 -1.26 -4.93 135.00 135.29 1f28 n PRO 172 Ca 0.08 0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1f28 n PRO 172 Cb 0.49 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1f28 n PRO 172 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f28 s HIS 174 N -2.20 2.73 0.09 0.00 0.00 -1.26 -1.35 115.29 113.30 1f28 s HIS 174 Ca -0.20 -0.79 -0.16 0.00 -3.00 0.00 0.00 55.06 50.91 1f28 s HIS 174 Cb 0.02 -4.41 -0.08 0.00 -4.00 0.00 0.00 32.58 24.11 1f28 s HIS 174 CO 0.45 -1.72 1.46 0.52 -1.00 0.00 0.00 174.74 174.46 1f28 h MET 175 N 9.45 0.60 -2.20 -0.38 0.00 -1.63 -3.44 114.93 117.34 1f28 h MET 175 Ca -0.06 -0.26 0.17 0.00 0.00 0.00 0.00 59.70 59.55 1f28 h MET 175 Cb 1.04 -0.02 -0.12 0.00 0.00 0.00 0.00 31.60 32.50 1f28 h MET 175 CO 1.22 0.83 0.53 -0.59 0.00 0.00 0.00 176.91 178.90 1f28 s PHE 176 N -4.63 -0.21 0.05 -0.22 -0.71 -1.23 -1.35 117.98 109.68 1f28 s PHE 176 Ca -0.13 0.00 -0.01 0.00 -1.04 0.00 0.00 56.93 55.75 1f28 s PHE 176 Cb 0.08 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.44 1f28 s PHE 176 CO 0.79 -0.64 -0.02 0.00 -1.34 0.00 0.00 175.22 174.02 1f28 s GLN 178 N -3.43 2.35 0.10 0.00 0.74 -0.08 -1.37 119.66 117.98 1f28 s GLN 178 Ca 0.02 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.68 1f28 s GLN 178 Cb 0.04 -1.94 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 1f28 s GLN 178 CO -0.08 0.26 0.24 -0.06 -0.55 0.00 0.00 175.29 175.10 1f28 s PHE 179 N 0.09 3.50 -0.07 1.67 0.40 -0.02 -0.93 117.98 122.62 1f28 s PHE 179 Ca -0.08 0.18 -0.03 0.00 -0.60 0.00 0.00 56.93 56.40 1f28 s PHE 179 Cb -0.14 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1f28 s PHE 179 CO 0.04 0.55 0.15 -0.47 0.70 0.00 0.00 175.22 176.20 1f28 s TYR 180 N -1.62 -0.18 -0.37 0.36 5.04 -0.24 -4.55 117.35 115.80 1f28 s TYR 180 Ca 0.35 0.53 -0.14 0.00 -2.44 0.00 0.00 57.07 55.36 1f28 s TYR 180 Cb -0.12 -0.11 -0.00 0.00 0.35 0.00 0.00 41.96 42.08 1f28 s TYR 180 CO 0.28 -0.19 0.28 0.08 -1.34 0.00 0.00 175.55 174.66 1f28 s VAL 181 N 1.38 5.26 0.52 3.14 1.01 -1.26 -0.23 120.40 130.22 1f28 s VAL 181 Ca -0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 1f28 s VAL 181 Cb -0.12 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1f28 s VAL 181 CO -0.06 -0.13 1.03 -1.00 0.00 0.00 0.00 175.10 174.94 1f28 s HIS 182 N 1.76 3.06 0.63 5.22 0.09 0.09 -4.77 115.29 121.37 1f28 s HIS 182 Ca 0.07 1.54 -0.16 0.00 -0.00 0.00 0.00 55.06 56.51 1f28 s HIS 182 Cb -0.18 -3.00 -0.01 0.00 -0.00 0.00 0.00 32.58 29.39 1f28 s HIS 182 CO 0.11 -0.83 1.10 0.42 -0.00 0.00 0.00 174.74 175.54 1f28 s ILE 183 N -2.23 3.33 0.37 0.60 1.01 -1.26 -3.90 121.20 119.12 1f28 s ILE 183 Ca 0.65 0.64 -0.28 0.00 0.00 0.00 0.00 60.65 61.66 1f28 s ILE 183 Cb -0.15 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 1f28 s ILE 183 CO 0.27 -0.36 1.46 -2.84 0.00 0.00 0.00 174.94 173.46 1f28 s PRO 184 N -4.00 4.13 -0.19 2.79 0.02 -1.26 -4.69 135.00 131.79 1f28 s PRO 184 Ca 0.67 2.51 -0.08 0.00 0.02 0.00 0.00 61.00 64.12 1f28 s PRO 184 Cb -0.20 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 1f28 s PRO 184 CO 0.39 -0.49 0.08 -1.12 -0.33 0.00 0.00 177.00 175.52 1f28 s SER 185 N -0.22 5.67 1.56 2.53 0.01 -1.26 -4.83 113.70 117.17 1f28 s SER 185 Ca 0.53 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1f28 s SER 185 Cb -0.45 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1f28 s SER 185 CO 0.61 0.15 0.00 0.59 0.41 0.00 0.00 173.24 175.00 1f28 n ASN 186 N 3.72 0.00 -0.54 2.44 4.13 -1.26 -2.24 115.26 121.51 1f28 n ASN 186 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1f28 n ASN 186 Cb 0.52 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1f28 n ASN 186 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1f28 n ASN 187 N 10.99 0.02 -4.90 6.41 0.23 -1.26 -5.11 115.26 121.64 1f28 n ASN 187 Ca 0.00 -1.76 -0.28 0.00 -0.53 0.00 0.00 54.58 52.00 1f28 n ASN 187 Cb 0.00 -0.15 0.07 0.00 -2.08 0.00 0.00 39.78 37.62 1f28 n ASN 187 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1f28 s HIS 188 N 0.00 3.07 0.54 -2.53 4.02 -0.95 -5.02 115.29 114.43 1f28 s HIS 188 Ca 0.01 0.75 -0.22 0.00 1.02 0.00 0.00 55.06 56.63 1f28 s HIS 188 Cb 0.01 -3.24 -0.05 0.00 -1.02 0.00 0.00 32.58 28.28 1f28 s HIS 188 CO -0.01 -1.44 1.33 -0.98 1.02 0.00 0.00 174.74 174.66 1f28 s ARG 189 N -5.39 3.19 0.71 1.40 1.04 -1.26 -4.36 118.95 114.28 1f28 s ARG 189 Ca 0.60 2.16 -0.16 0.00 -1.04 0.00 0.00 55.73 57.28 1f28 s ARG 189 Cb -0.11 -2.25 0.02 0.00 -2.04 0.00 0.00 34.95 30.57 1f28 s ARG 189 CO 0.48 -1.13 1.25 -2.14 -0.04 0.00 0.00 175.30 173.73 1f28 s PRO 190 N -2.91 2.23 0.08 3.89 0.02 -1.26 -4.66 135.00 132.39 1f28 s PRO 190 Ca 0.71 1.91 0.04 0.00 0.02 0.00 0.00 61.00 63.68 1f28 s PRO 190 Cb -0.39 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1f28 s PRO 190 CO 0.45 -1.80 0.03 -1.21 -0.33 0.00 0.00 177.00 174.14 1f28 s GLU 191 N -3.69 2.69 -0.21 5.54 2.02 -1.25 -1.41 118.70 122.39 1f28 s GLU 191 Ca 0.78 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.96 1f28 s GLU 191 Cb -0.33 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 1f28 s GLU 191 CO 0.43 0.55 -0.03 -1.17 0.02 0.00 0.00 175.26 175.07 1f28 s LEU 192 N -2.31 3.00 0.27 1.80 2.96 0.18 -0.73 118.68 123.85 1f28 s LEU 192 Ca 0.27 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1f28 s LEU 192 Cb -0.12 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1f28 s LEU 192 CO 0.19 0.02 0.13 -0.44 -1.32 0.00 0.00 176.35 174.93 1f28 s SER 193 N 1.26 5.12 -0.02 3.68 0.01 0.68 -0.16 113.70 124.27 1f28 s SER 193 Ca 0.03 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1f28 s SER 193 Cb -0.14 -1.14 0.03 0.00 0.21 0.00 0.00 66.02 64.97 1f28 s SER 193 CO -0.01 -0.06 0.01 0.00 0.41 0.00 0.00 173.24 173.60 1f28 s GLN 195 N 0.97 2.83 -0.14 0.00 0.74 -0.11 -0.68 119.66 123.27 1f28 s GLN 195 Ca -0.09 -0.95 -0.07 0.00 0.05 0.00 0.00 55.36 54.31 1f28 s GLN 195 Cb -0.12 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 1f28 s GLN 195 CO -0.02 -0.32 0.09 -1.17 -0.55 0.00 0.00 175.29 173.32 1f28 s LEU 196 N 1.27 4.08 -0.24 3.68 2.96 0.18 -0.90 118.68 129.71 1f28 s LEU 196 Ca 0.01 0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.16 1f28 s LEU 196 Cb -0.15 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.53 1f28 s LEU 196 CO -0.09 0.31 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.77 1f28 s TYR 197 N -0.46 3.02 -0.27 5.38 5.04 -0.32 0.14 117.35 129.88 1f28 s TYR 197 Ca 0.11 -0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 53.75 1f28 s TYR 197 Cb -0.12 -2.14 0.02 0.00 0.35 0.00 0.00 41.96 40.07 1f28 s TYR 197 CO 0.02 -0.55 -0.02 -1.14 -1.34 0.00 0.00 175.55 172.52 1f28 s GLN 198 N 1.48 2.88 0.38 4.97 0.74 -0.27 -2.02 119.66 127.82 1f28 s GLN 198 Ca 0.05 -0.96 0.12 0.00 0.05 0.00 0.00 55.36 54.61 1f28 s GLN 198 Cb -0.15 -3.11 0.75 0.00 1.10 0.00 0.00 33.01 31.60 1f28 s GLN 198 CO -0.02 -0.43 1.85 0.07 -0.55 0.00 0.00 175.29 176.22 1f28 h ARG 199 N 8.08 0.05 -2.98 1.67 0.11 -1.53 -1.07 114.38 118.71 1f28 h ARG 199 Ca -0.31 -0.02 -0.21 0.00 0.10 0.00 0.00 59.98 59.53 1f28 h ARG 199 Cb 1.11 -0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.87 1f28 h ARG 199 CO 0.58 0.36 -0.52 -1.54 0.10 0.00 0.00 179.97 178.95 1f28 s SER 200 N -6.93 0.06 -0.17 0.08 1.04 -1.26 -1.07 113.70 105.45 1f28 s SER 200 Ca -0.03 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.92 1f28 s SER 200 Cb 0.15 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.79 1f28 s SER 200 CO 0.73 -0.20 -0.11 0.00 0.98 0.00 0.00 173.24 174.64 1f28 s ASP 202 N 1.48 6.35 0.28 0.00 3.68 -1.26 -1.86 116.67 125.34 1f28 s ASP 202 Ca 0.02 -1.07 0.01 0.00 2.13 0.00 0.00 52.55 53.64 1f28 s ASP 202 Cb -0.14 -2.54 0.55 0.00 -1.45 0.00 0.00 42.92 39.34 1f28 s ASP 202 CO -0.09 -1.59 1.82 0.24 0.13 0.00 0.00 175.17 175.68 1f28 h MET 203 N 9.78 0.90 -0.15 4.34 2.86 -1.46 -1.19 114.93 130.01 1f28 h MET 203 Ca -0.04 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1f28 h MET 203 Cb 1.03 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1f28 h MET 203 CO 1.32 0.60 -0.12 0.78 1.06 0.00 0.00 176.91 180.55 1f28 h GLY 204 N 0.93 0.38 0.00 8.32 0.00 -1.90 -3.39 103.07 107.41 1f28 h GLY 204 Ca 0.49 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1f28 h GLY 204 CO -0.28 0.33 -0.36 -0.10 0.00 0.00 0.00 176.54 176.14 1f28 n LEU 205 N -4.58 0.70 0.05 3.11 0.00 -1.16 -4.83 117.00 110.29 1f28 n LEU 205 Ca -0.06 0.12 -0.13 0.00 0.00 0.00 0.00 56.01 55.94 1f28 n LEU 205 Cb 0.34 -0.57 -0.08 0.00 0.00 0.00 0.00 43.42 43.11 1f28 n LEU 205 CO 0.39 -0.42 0.78 1.23 0.00 0.00 0.00 177.39 179.37 1f28 h GLY 206 N -0.36 -0.08 -0.31 -3.96 0.00 -1.61 -3.35 103.07 93.40 1f28 h GLY 206 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 47.33 47.48 1f28 h GLY 206 CO 0.00 -0.03 -0.19 -2.08 0.00 0.00 0.00 176.54 174.25 1f28 h VAL 207 N -0.21 0.33 -0.88 4.60 2.07 -1.44 0.96 116.25 121.67 1f28 h VAL 207 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1f28 h VAL 207 Cb 0.19 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1f28 h VAL 207 CO 0.01 0.00 0.58 -0.65 0.02 0.00 0.00 177.57 177.53 1f28 h PRO 208 N -0.03 1.02 -0.24 1.57 0.11 -1.77 0.11 132.00 132.77 1f28 h PRO 208 Ca 0.30 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 1f28 h PRO 208 Cb 0.49 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1f28 h PRO 208 CO -0.67 0.67 -0.15 0.74 -0.21 0.00 0.00 178.00 178.39 1f28 h PHE 209 N 1.05 0.60 -0.87 0.65 -1.00 -1.18 -2.42 116.94 113.78 1f28 h PHE 209 Ca 0.36 -0.16 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1f28 h PHE 209 Cb 0.11 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.49 1f28 h PHE 209 CO -0.00 0.80 0.46 -0.91 -1.61 0.00 0.00 178.31 177.06 1f28 h ASN 210 N 0.22 1.11 -0.10 2.17 -0.26 -0.27 0.32 115.58 118.77 1f28 h ASN 210 Ca 0.05 -0.11 0.01 0.00 -0.56 0.00 0.00 56.30 55.69 1f28 h ASN 210 Cb 0.66 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1f28 h ASN 210 CO 0.04 0.90 0.02 0.40 -1.06 0.00 0.00 177.43 177.73 1f28 h ILE 211 N 1.23 0.96 -0.63 2.81 2.04 -0.78 -0.84 117.51 122.30 1f28 h ILE 211 Ca 0.31 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1f28 h ILE 211 Cb 0.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1f28 h ILE 211 CO -0.05 0.01 0.35 0.00 0.00 0.00 0.00 178.15 178.47 1f28 h ALA 212 N 1.07 0.80 -0.17 1.87 0.00 -0.98 -2.20 119.26 119.65 1f28 h ALA 212 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1f28 h ALA 212 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1f28 h ALA 212 CO -0.05 0.31 0.09 1.03 0.00 0.00 0.00 179.25 180.63 1f28 h SER 213 N 0.85 0.15 1.02 0.00 0.87 0.15 -1.76 113.55 114.84 1f28 h SER 213 Ca 0.22 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1f28 h SER 213 Cb 0.03 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1f28 h SER 213 CO -0.04 0.11 -0.54 1.88 -0.53 0.00 0.00 176.83 177.71 1f28 h TYR 214 N 0.20 0.00 -0.70 2.24 0.05 -1.14 -1.89 116.97 115.72 1f28 h TYR 214 Ca 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 1f28 h TYR 214 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1f28 h TYR 214 CO -0.08 0.54 0.22 0.00 -1.05 0.00 0.00 178.16 177.79 1f28 h ALA 215 N 1.46 0.91 0.01 3.88 0.00 -1.20 -1.39 119.26 122.93 1f28 h ALA 215 Ca -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1f28 h ALA 215 Cb 1.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1f28 h ALA 215 CO 0.07 0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 179.84 1f28 h LEU 216 N 1.03 -0.01 -0.76 0.00 3.38 -1.12 -0.87 115.31 116.95 1f28 h LEU 216 Ca 0.22 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1f28 h LEU 216 Cb 0.31 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1f28 h LEU 216 CO -0.01 0.15 0.46 0.25 0.09 0.00 0.00 178.44 179.39 1f28 h LEU 217 N -0.17 0.74 -0.44 1.67 5.85 -1.25 0.22 115.31 121.92 1f28 h LEU 217 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1f28 h LEU 217 Cb 0.17 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1f28 h LEU 217 CO 0.00 0.49 0.25 0.74 -0.34 0.00 0.00 178.44 179.58 1f28 h THR 218 N 0.87 1.15 -0.74 1.05 2.02 -1.07 -0.32 112.91 115.88 1f28 h THR 218 Ca 0.32 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1f28 h THR 218 Cb 0.11 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1f28 h THR 218 CO -0.15 0.16 0.21 0.00 0.37 0.00 0.00 175.52 176.11 1f28 h MET 220 N 1.11 -0.10 -0.64 0.00 2.07 0.06 -0.03 114.93 117.39 1f28 h MET 220 Ca 0.24 0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.86 1f28 h MET 220 Cb 0.34 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.06 1f28 h MET 220 CO -0.00 0.04 0.37 0.82 1.07 0.00 0.00 176.91 179.20 1f28 h ILE 221 N -0.22 1.20 -0.41 -1.22 2.04 -1.03 -1.69 117.51 116.17 1f28 h ILE 221 Ca -0.01 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1f28 h ILE 221 Cb 0.19 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 1f28 h ILE 221 CO 0.02 0.21 0.26 0.00 0.00 0.00 0.00 178.15 178.64 1f28 h ALA 222 N 1.18 0.52 -0.45 1.87 0.00 -1.11 -1.28 119.26 119.99 1f28 h ALA 222 Ca 0.23 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1f28 h ALA 222 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1f28 h ALA 222 CO -0.04 -0.01 0.26 1.25 0.00 0.00 0.00 179.25 180.71 1f28 h HIS 223 N 0.55 0.48 0.00 0.00 -0.00 -0.67 0.10 115.15 115.61 1f28 h HIS 223 Ca 0.15 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1f28 h HIS 223 Cb -0.04 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.22 1f28 h HIS 223 CO -0.04 0.27 0.00 0.28 -0.00 0.00 0.00 177.93 178.44 1f28 n VAL 224 N -4.85 0.42 -0.21 5.26 0.31 -0.66 -2.69 118.33 115.90 1f28 n VAL 224 Ca 0.02 0.03 0.08 0.00 -0.01 0.00 0.00 64.34 64.46 1f28 n VAL 224 Cb 0.08 -0.69 0.21 0.00 -0.91 0.00 0.00 33.84 32.53 1f28 n VAL 224 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1f28 n ASP 226 N 0.94 -6.17 -4.63 0.00 10.43 -0.56 -4.96 116.55 111.60 1f28 n ASP 226 Ca 0.16 -0.39 -0.25 0.00 2.57 0.00 0.00 54.79 56.88 1f28 n ASP 226 Cb 0.50 -4.90 -0.09 0.00 1.84 0.00 0.00 41.12 38.47 1f28 n ASP 226 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1f28 s LEU 227 N -6.82 2.95 0.14 0.64 1.43 0.25 -4.81 118.68 112.47 1f28 s LEU 227 Ca 0.42 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1f28 s LEU 227 Cb -0.19 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1f28 s LEU 227 CO 0.52 -0.26 0.19 -1.81 0.23 0.00 0.00 176.35 175.22 1f28 s ASP 228 N -3.71 5.87 0.34 2.29 1.01 -0.50 -4.09 116.67 117.88 1f28 s ASP 228 Ca 0.35 0.01 -0.26 0.00 0.71 0.00 0.00 52.55 53.36 1f28 s ASP 228 Cb 0.01 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.20 1f28 s ASP 228 CO 0.19 0.08 1.01 -2.16 0.21 0.00 0.00 175.17 174.50 1f28 s PRO 229 N -3.05 4.44 0.00 8.23 0.04 -1.26 -0.64 135.00 142.75 1f28 s PRO 229 Ca 0.32 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1f28 s PRO 229 Cb -0.11 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1f28 s PRO 229 CO 0.25 0.11 0.00 0.41 0.04 0.00 0.00 177.00 177.81 1f28 n GLY 230 N 0.62 0.40 3.54 0.56 0.00 0.78 -4.03 105.19 107.06 1f28 n GLY 230 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1f28 n GLY 230 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1f28 s ASP 231 N -0.44 4.16 -0.19 1.61 1.01 -1.26 -0.35 116.67 121.22 1f28 s ASP 231 Ca 0.00 -0.53 -0.02 0.00 0.71 0.00 0.00 52.55 52.71 1f28 s ASP 231 Cb 0.00 -0.69 -0.00 0.00 1.01 0.00 0.00 42.92 43.24 1f28 s ASP 231 CO 0.00 0.14 -0.10 0.12 0.21 0.00 0.00 175.17 175.54 1f28 s PHE 232 N -1.42 2.88 -0.17 4.23 5.36 0.39 -0.88 117.98 128.37 1f28 s PHE 232 Ca 0.22 -1.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.20 1f28 s PHE 232 Cb -0.10 -1.99 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 1f28 s PHE 232 CO 0.13 -0.51 -0.19 0.42 -1.46 0.00 0.00 175.22 173.62 1f28 s ILE 233 N 1.11 2.20 -0.43 3.12 1.09 0.15 0.12 121.20 128.56 1f28 s ILE 233 Ca 0.01 -0.90 -0.12 0.00 -1.10 0.00 0.00 60.65 58.54 1f28 s ILE 233 Cb -0.14 -1.92 0.07 0.00 -1.06 0.00 0.00 42.46 39.40 1f28 s ILE 233 CO -0.03 0.53 0.29 -2.28 -0.10 0.00 0.00 174.94 173.36 1f28 s HIS 234 N 1.15 3.29 -0.06 3.97 2.46 0.68 -0.65 115.29 126.14 1f28 s HIS 234 Ca 0.01 -1.23 -0.13 0.00 0.47 0.00 0.00 55.06 54.19 1f28 s HIS 234 Cb -0.14 -2.92 -0.05 0.00 -0.13 0.00 0.00 32.58 29.34 1f28 s HIS 234 CO -0.09 -0.79 0.32 0.08 -2.47 0.00 0.00 174.74 171.79 1f28 s VAL 235 N 1.52 5.20 0.02 0.89 1.01 0.12 -1.83 120.40 127.33 1f28 s VAL 235 Ca 0.03 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.70 1f28 s VAL 235 Cb -0.23 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1f28 s VAL 235 CO 0.04 0.56 -0.18 -0.04 0.00 0.00 0.00 175.10 175.48 1f28 s MET 236 N -0.82 1.31 0.00 2.72 -1.94 -1.26 -1.11 119.30 118.19 1f28 s MET 236 Ca 0.20 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.43 1f28 s MET 236 Cb -0.15 -1.33 0.00 0.00 2.01 0.00 0.00 34.83 35.36 1f28 s MET 236 CO 0.09 0.35 0.00 0.41 -0.01 0.00 0.00 175.02 175.86 1f28 n GLY 237 N 2.23 0.55 3.52 -0.03 0.00 -0.40 -3.34 105.19 107.71 1f28 n GLY 237 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1f28 n GLY 237 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f28 s ASP 238 N -1.00 6.17 -0.37 1.61 3.68 -0.23 -0.93 116.67 125.59 1f28 s ASP 238 Ca 0.00 -0.59 -0.14 0.00 2.13 0.00 0.00 52.55 53.95 1f28 s ASP 238 Cb 0.00 -2.52 -0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1f28 s ASP 238 CO 0.00 -1.73 0.26 0.00 0.13 0.00 0.00 175.17 173.83 1f28 s HIS 240 N 1.70 1.72 -0.05 0.00 -3.43 -0.78 -0.42 115.29 114.03 1f28 s HIS 240 Ca 0.06 -1.08 0.02 0.00 -0.80 0.00 0.00 55.06 53.25 1f28 s HIS 240 Cb -0.18 -1.06 0.01 0.00 -1.43 0.00 0.00 32.58 29.93 1f28 s HIS 240 CO 0.10 -0.19 -0.08 0.42 -2.00 0.00 0.00 174.74 172.99 1f28 s ILE 241 N -3.56 0.77 0.19 -5.38 1.01 0.06 -0.98 121.20 113.31 1f28 s ILE 241 Ca 0.37 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 1f28 s ILE 241 Cb 0.08 -0.73 -0.08 0.00 0.01 0.00 0.00 42.46 41.74 1f28 s ILE 241 CO 0.14 0.27 0.96 -0.31 0.00 0.00 0.00 174.94 176.00 1f28 s TYR 242 N 0.65 3.90 0.15 3.97 2.02 -1.26 -1.10 117.35 125.67 1f28 s TYR 242 Ca -0.11 1.86 -0.20 0.00 -0.37 0.00 0.00 57.07 58.25 1f28 s TYR 242 Cb -0.13 -3.03 0.05 0.00 -0.40 0.00 0.00 41.96 38.45 1f28 s TYR 242 CO 0.01 0.30 1.65 0.87 -1.57 0.00 0.00 175.55 176.82 1f28 h LYS 243 N 4.76 -0.12 -0.03 -0.62 1.57 -1.76 -1.24 116.57 119.12 1f28 h LYS 243 Ca -0.44 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1f28 h LYS 243 Cb 1.21 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1f28 h LYS 243 CO 0.70 -0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 179.10 1f28 n ASP 244 N -5.33 0.03 -0.01 0.86 3.85 -1.26 -1.36 116.55 113.33 1f28 n ASP 244 Ca 0.00 -0.32 -0.00 0.00 -0.71 0.00 0.00 54.79 53.76 1f28 n ASP 244 Cb 0.24 -0.02 -0.03 0.00 -1.35 0.00 0.00 41.12 39.97 1f28 n ASP 244 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 1f28 n HIS 245 N -0.32 0.00 -0.32 2.11 8.25 -0.48 -4.74 115.22 119.73 1f28 n HIS 245 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1f28 n HIS 245 Cb 0.01 -0.13 0.33 0.00 1.12 0.00 0.00 29.99 31.32 1f28 n HIS 245 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1f28 h ILE 246 N 0.00 0.52 0.27 1.59 2.04 -1.15 -2.07 117.51 118.70 1f28 h ILE 246 Ca -0.05 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1f28 h ILE 246 Cb 0.79 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1f28 h ILE 246 CO 0.00 0.09 -0.47 -0.08 0.00 0.00 0.00 178.15 177.69 1f28 h GLU 247 N 0.49 -0.78 0.00 2.37 4.81 -1.85 -0.45 114.58 119.18 1f28 h GLU 247 Ca 0.59 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.87 1f28 h GLU 247 Cb 1.09 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1f28 h GLU 247 CO -0.49 -0.52 0.00 0.00 -0.73 0.00 0.00 179.01 177.27 1f28 n ALA 248 N -2.84 1.79 -0.09 2.92 0.00 -0.83 -3.24 120.51 118.22 1f28 n ALA 248 Ca -0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1f28 n ALA 248 Cb 0.42 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.52 1f28 n ALA 248 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f28 n LEU 249 N -1.28 0.77 0.25 0.00 7.99 -0.69 -3.92 117.00 120.12 1f28 n LEU 249 Ca 0.07 -0.03 0.09 0.00 -0.01 0.00 0.00 56.01 56.12 1f28 n LEU 249 Cb 0.11 0.12 0.63 0.00 -0.11 0.00 0.00 43.42 44.16 1f28 n LEU 249 CO 0.10 0.54 0.97 1.56 -1.51 0.00 0.00 177.39 179.05 1f28 h GLN 250 N 0.00 0.00 0.12 3.23 4.20 -1.09 -1.92 115.11 119.65 1f28 h GLN 250 Ca -0.47 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 57.99 1f28 h GLN 250 Cb 1.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 1f28 h GLN 250 CO -0.00 0.12 -1.22 -0.56 -0.67 0.00 0.00 178.83 176.50 1f28 h GLN 251 N 0.00 0.26 -1.12 1.46 3.07 -1.79 -3.21 115.11 113.78 1f28 h GLN 251 Ca -0.00 -0.44 0.31 0.00 0.09 0.00 0.00 58.65 58.61 1f28 h GLN 251 Cb 0.24 0.16 -0.09 0.00 0.08 0.00 0.00 27.48 27.88 1f28 h GLN 251 CO 0.02 1.21 0.75 0.37 0.09 0.00 0.00 178.83 181.26 1f28 h GLN 252 N -0.34 0.24 0.00 0.06 4.15 -1.59 4.69 115.11 122.32 1f28 h GLN 252 Ca -0.25 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1f28 h GLN 252 Cb 1.71 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.35 1f28 h GLN 252 CO 0.08 0.16 0.00 1.28 -1.93 0.00 0.00 178.83 178.42 1f28 n LEU 253 N -4.51 0.26 0.03 -2.39 4.77 -0.76 -1.73 117.00 112.66 1f28 n LEU 253 Ca 0.27 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.81 1f28 n LEU 253 Cb 1.06 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 1f28 n LEU 253 CO 0.29 -0.53 -0.26 0.71 -1.33 0.00 0.00 177.39 176.27 1f28 h THR 254 N 0.00 0.70 -3.39 -5.08 1.35 0.92 -3.46 112.91 103.95 1f28 h THR 254 Ca 0.00 -2.30 -0.52 0.00 -0.55 0.00 0.00 66.41 63.04 1f28 h THR 254 Cb 0.16 2.22 0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1f28 h THR 254 CO 0.00 0.40 0.61 -0.13 -0.25 0.00 0.00 175.52 176.15 1f28 s ARG 255 N -2.82 4.43 0.06 4.72 0.52 -0.71 -5.01 118.95 120.14 1f28 s ARG 255 Ca -0.03 1.95 -0.22 0.00 -0.52 0.00 0.00 55.73 56.91 1f28 s ARG 255 Cb 0.08 -3.23 -0.06 0.00 0.52 0.00 0.00 34.95 32.26 1f28 s ARG 255 CO 0.81 -0.19 0.67 -1.12 0.02 0.00 0.00 175.30 175.49 1f28 s SER 256 N 0.35 7.14 0.27 0.23 0.01 -1.26 -4.97 113.70 115.47 1f28 s SER 256 Ca 0.56 1.36 -0.29 0.00 1.31 0.00 0.00 55.95 58.88 1f28 s SER 256 Cb -0.34 -2.42 -0.10 0.00 0.21 0.00 0.00 66.02 63.37 1f28 s SER 256 CO 0.36 0.14 1.30 -2.84 0.41 0.00 0.00 173.24 172.61 1f28 s PRO 257 N -0.58 4.39 0.44 12.44 0.02 -1.26 -4.84 135.00 145.62 1f28 s PRO 257 Ca 0.33 2.12 0.05 0.00 0.02 0.00 0.00 61.00 63.52 1f28 s PRO 257 Cb -0.20 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.20 1f28 s PRO 257 CO 0.21 -0.18 0.62 1.03 -0.33 0.00 0.00 177.00 178.34 1f28 s ARG 258 N -1.04 2.84 0.62 5.54 3.00 -1.26 -4.87 118.95 123.78 1f28 s ARG 258 Ca 0.52 -0.97 -0.17 0.00 0.00 0.00 0.00 55.73 55.11 1f28 s ARG 258 Cb -0.38 -2.67 -0.02 0.00 0.00 0.00 0.00 34.95 31.88 1f28 s ARG 258 CO 0.46 -0.32 1.14 -1.25 0.00 0.00 0.00 175.30 175.33 1f28 s PRO 259 N -4.45 2.93 0.62 3.54 0.04 -1.26 -4.20 135.00 132.21 1f28 s PRO 259 Ca 0.53 1.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1f28 s PRO 259 Cb -0.10 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1f28 s PRO 259 CO 0.35 -1.18 1.11 -0.06 0.04 0.00 0.00 177.00 177.26 1f28 s PHE 260 N -2.01 2.66 0.82 0.56 0.08 -1.26 -4.85 117.98 113.99 1f28 s PHE 260 Ca 0.71 1.55 -0.14 0.00 0.12 0.00 0.00 56.93 59.17 1f28 s PHE 260 Cb -0.24 -3.20 0.20 0.00 -0.57 0.00 0.00 43.02 39.21 1f28 s PHE 260 CO 0.36 -1.61 0.84 -0.35 -0.10 0.00 0.00 175.22 174.36 1f28 n PRO 261 N -2.02 -2.01 -4.47 0.24 -0.04 -1.25 -4.79 135.00 120.67 1f28 n PRO 261 Ca 0.11 -1.33 -0.23 0.00 -0.04 0.00 0.00 63.50 62.01 1f28 n PRO 261 Cb 0.52 -1.11 -0.10 0.00 -0.04 0.00 0.00 33.50 32.76 1f28 n PRO 261 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1f28 s THR 262 N -2.64 2.12 -0.05 0.52 -4.23 -0.77 -1.64 115.64 108.95 1f28 s THR 262 Ca 0.52 -2.25 0.04 0.00 -1.18 0.00 0.00 61.69 58.81 1f28 s THR 262 Cb -0.04 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1f28 s THR 262 CO 0.39 -0.34 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.75 1f28 s LEU 263 N -3.50 1.86 -0.05 4.79 2.96 0.52 -1.47 118.68 123.78 1f28 s LEU 263 Ca 0.30 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1f28 s LEU 263 Cb 0.00 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.79 1f28 s LEU 263 CO 0.14 0.12 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.73 1f28 s SER 264 N 0.16 1.74 -0.31 3.68 0.01 -0.75 -4.79 113.70 113.45 1f28 s SER 264 Ca -0.06 -0.29 -0.09 0.00 1.31 0.00 0.00 55.95 56.83 1f28 s SER 264 Cb -0.12 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1f28 s SER 264 CO 0.02 0.06 0.13 -0.76 0.41 0.00 0.00 173.24 173.11 1f28 s LEU 265 N 0.45 4.10 0.32 2.44 1.43 -1.26 -1.44 118.68 124.72 1f28 s LEU 265 Ca -0.10 -0.67 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1f28 s LEU 265 Cb -0.14 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 1f28 s LEU 265 CO 0.03 -0.22 0.05 0.21 0.23 0.00 0.00 176.35 176.65 1f28 s ASN 266 N 1.56 2.40 0.00 2.29 2.47 -1.05 -4.69 114.94 117.92 1f28 s ASN 266 Ca 0.03 -1.36 0.00 0.00 0.42 0.00 0.00 52.86 51.95 1f28 s ASN 266 Cb -0.17 -0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.53 1f28 s ASN 266 CO 0.05 -0.59 0.00 -1.14 -3.72 0.00 0.00 177.10 171.70 1f28 n ARG 267 N -0.68 0.00 -3.47 0.43 3.00 -1.26 -4.57 116.66 110.11 1f28 n ARG 267 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.64 1f28 n ARG 267 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.15 1f28 n ARG 267 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1f28 n SER 268 N 0.00 -6.12 -4.75 6.15 3.41 -1.26 -4.94 113.62 106.10 1f28 n SER 268 Ca 0.00 -0.69 -0.40 0.00 -0.26 0.00 0.00 58.87 57.52 1f28 n SER 268 Cb 0.00 -3.79 -0.05 0.00 -0.26 0.00 0.00 64.21 60.11 1f28 n SER 268 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1f28 s ILE 269 N -3.21 3.72 0.00 -1.33 1.09 -1.26 -4.92 121.20 115.29 1f28 s ILE 269 Ca 0.23 1.72 0.00 0.00 -1.10 0.00 0.00 60.65 61.49 1f28 s ILE 269 Cb -0.07 -4.09 0.00 0.00 -1.06 0.00 0.00 42.46 37.24 1f28 s ILE 269 CO 0.82 0.40 0.71 0.35 -0.10 0.00 0.00 174.94 177.13 1f28 n THR 270 N 1.38 0.51 -4.14 2.92 -2.24 -1.26 -4.75 114.28 106.70 1f28 n THR 270 Ca -0.01 -0.59 -0.19 0.00 -2.27 0.00 0.00 64.05 60.98 1f28 n THR 270 Cb 0.46 0.83 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 1f28 n THR 270 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1f28 s ASP 271 N -0.51 0.82 0.54 3.42 -1.08 -1.26 -4.89 116.67 113.71 1f28 s ASP 271 Ca 0.00 -0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.17 1f28 s ASP 271 Cb 0.00 -0.37 1.42 0.00 -1.46 0.00 0.00 42.92 42.51 1f28 s ASP 271 CO 0.00 -0.04 2.01 -0.29 0.52 0.00 0.00 175.17 177.37 1f28 h ILE 272 N 6.03 0.70 -0.06 4.11 6.09 -1.95 -0.84 117.51 131.59 1f28 h ILE 272 Ca -0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 1f28 h ILE 272 Cb 1.15 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.20 1f28 h ILE 272 CO 0.48 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 174.94 1f28 n GLU 273 N -4.28 1.50 0.00 2.19 1.02 -1.26 -4.10 120.64 115.71 1f28 n GLU 273 Ca 0.08 -0.74 0.11 0.00 -0.02 0.00 0.00 57.16 56.59 1f28 n GLU 273 Cb 0.55 -1.43 0.05 0.00 -0.02 0.00 0.00 31.44 30.59 1f28 n GLU 273 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1f28 n ASP 274 N -0.08 1.47 -4.77 1.62 10.43 -0.32 -4.98 116.55 119.92 1f28 n ASP 274 Ca 0.18 -1.17 -0.38 0.00 2.57 0.00 0.00 54.79 55.99 1f28 n ASP 274 Cb 0.27 0.53 -0.00 0.00 1.84 0.00 0.00 41.12 43.76 1f28 n ASP 274 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1f28 s PHE 275 N -2.66 2.84 0.18 1.24 0.40 -1.26 -5.04 117.98 113.69 1f28 s PHE 275 Ca 0.16 1.48 0.01 0.00 -0.60 0.00 0.00 56.93 57.99 1f28 s PHE 275 Cb 0.18 -3.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.14 1f28 s PHE 275 CO 0.65 -1.80 0.04 0.95 0.70 0.00 0.00 175.22 175.76 1f28 s THR 276 N -1.39 0.51 0.19 0.64 -4.23 -1.26 -5.05 115.64 105.06 1f28 s THR 276 Ca 0.61 -1.97 -0.20 0.00 -1.18 0.00 0.00 61.69 58.95 1f28 s THR 276 Cb -0.34 -2.23 0.14 0.00 1.34 0.00 0.00 72.50 71.41 1f28 s THR 276 CO 0.42 -0.35 1.59 0.25 -0.54 0.00 0.00 174.62 175.99 1f28 h LEU 277 N 2.66 -1.04 -0.50 4.79 6.46 -1.96 0.04 115.31 125.76 1f28 h LEU 277 Ca -0.37 0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1f28 h LEU 277 Cb 1.21 0.53 0.00 0.00 -0.73 0.00 0.00 40.66 41.68 1f28 h LEU 277 CO 0.61 -0.29 0.00 0.47 -0.62 0.00 0.00 178.44 178.61 1f28 n ASP 278 N -5.43 0.24 0.00 1.25 10.43 -1.26 -1.83 116.55 119.94 1f28 n ASP 278 Ca 0.04 0.60 0.12 0.00 2.57 0.00 0.00 54.79 58.12 1f28 n ASP 278 Cb 0.35 -0.63 0.57 0.00 1.84 0.00 0.00 41.12 43.25 1f28 n ASP 278 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1f28 n ASP 279 N -1.81 0.00 -4.58 -2.24 8.00 0.00 -4.66 116.55 111.27 1f28 n ASP 279 Ca 0.00 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 1f28 n ASP 279 Cb 0.07 -0.41 -0.11 0.00 -0.02 0.00 0.00 41.12 40.65 1f28 n ASP 279 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1f28 s PHE 280 N -2.81 3.21 -0.42 1.24 0.40 -0.76 -2.53 117.98 116.31 1f28 s PHE 280 Ca 0.17 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1f28 s PHE 280 Cb 0.16 -2.25 0.11 0.00 0.51 0.00 0.00 43.02 41.55 1f28 s PHE 280 CO 0.42 -0.10 0.16 1.21 0.70 0.00 0.00 175.22 177.61 1f28 s ASN 281 N 1.27 4.80 -0.32 1.36 3.84 -0.52 -5.01 114.94 120.36 1f28 s ASN 281 Ca 0.06 -2.38 -0.16 0.00 0.21 0.00 0.00 52.86 50.59 1f28 s ASN 281 Cb -0.14 -1.69 -0.02 0.00 -0.55 0.00 0.00 41.25 38.85 1f28 s ASN 281 CO 0.05 -0.38 0.41 -0.63 -2.79 0.00 0.00 177.10 173.76 1f28 s ILE 282 N 0.60 5.13 0.04 -5.21 1.01 -1.26 -1.81 121.20 119.70 1f28 s ILE 282 Ca 0.12 0.29 0.03 0.00 0.00 0.00 0.00 60.65 61.10 1f28 s ILE 282 Cb -0.21 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1f28 s ILE 282 CO -0.05 -0.05 -0.02 -1.10 0.00 0.00 0.00 174.94 173.72 1f28 s GLN 283 N 2.14 2.61 -1.41 2.79 -0.21 -0.54 -4.66 119.66 120.37 1f28 s GLN 283 Ca 0.15 -0.74 -0.09 0.00 0.02 0.00 0.00 55.36 54.70 1f28 s GLN 283 Cb -0.16 -2.56 0.02 0.00 1.00 0.00 0.00 33.01 31.31 1f28 s GLN 283 CO 0.12 0.59 1.07 0.09 -2.12 0.00 0.00 175.29 175.03 1f28 n ASN 284 N 1.13 -6.18 -4.51 5.90 3.02 -1.26 -1.85 115.26 111.51 1f28 n ASN 284 Ca -0.13 -0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 53.46 1f28 n ASN 284 Cb 0.52 -4.89 -0.06 0.00 -0.61 0.00 0.00 39.78 34.75 1f28 n ASN 284 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1f28 s TYR 285 N -3.29 2.97 -0.49 3.10 6.04 -1.26 -4.26 117.35 120.16 1f28 s TYR 285 Ca 0.55 -0.08 0.03 0.00 0.04 0.00 0.00 57.07 57.61 1f28 s TYR 285 Cb -0.25 -3.65 0.16 0.00 -1.04 0.00 0.00 41.96 37.18 1f28 s TYR 285 CO 0.68 -1.05 0.34 -1.01 -1.54 0.00 0.00 175.55 172.97 1f28 s HIS 286 N 3.19 1.96 0.68 4.97 3.76 -1.26 -5.08 115.29 123.50 1f28 s HIS 286 Ca 0.25 -2.56 -0.05 0.00 -0.15 0.00 0.00 55.06 52.54 1f28 s HIS 286 Cb -0.14 -1.65 0.06 0.00 1.11 0.00 0.00 32.58 31.95 1f28 s HIS 286 CO 0.19 -0.74 0.98 -1.25 -0.85 0.00 0.00 174.74 173.06 1f28 s PRO 287 N -0.18 2.26 0.75 8.40 0.04 -1.26 -4.93 135.00 140.09 1f28 s PRO 287 Ca 0.25 -0.33 -0.13 0.00 0.04 0.00 0.00 61.00 60.83 1f28 s PRO 287 Cb -0.08 -2.22 0.18 0.00 0.04 0.00 0.00 34.50 32.42 1f28 s PRO 287 CO -0.12 -1.15 0.84 0.66 0.04 0.00 0.00 177.00 177.28 1f28 n TYR 288 N -2.83 -3.82 -0.77 0.56 4.02 -0.03 -4.87 117.16 109.43 1f28 n TYR 288 Ca 0.08 -0.75 -0.32 0.00 -0.01 0.00 0.00 57.90 56.89 1f28 n TYR 288 Cb 0.60 -0.74 0.13 0.00 -0.02 0.00 0.00 39.34 39.31 1f28 n TYR 288 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1f28 n GLU 289 N -3.33 -0.38 -2.76 -0.72 4.71 -1.26 -3.46 120.64 113.44 1f28 n GLU 289 Ca 0.11 -0.06 -0.39 0.00 -0.01 0.00 0.00 57.16 56.80 1f28 n GLU 289 Cb 0.40 -1.96 -0.06 0.00 -1.01 0.00 0.00 31.44 28.81 1f28 n GLU 289 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1f28 s THR 290 N -2.44 4.11 -0.22 2.62 -1.32 -1.26 -3.54 115.64 113.60 1f28 s THR 290 Ca 0.59 2.02 -0.01 0.00 -1.21 0.00 0.00 61.69 63.08 1f28 s THR 290 Cb -0.21 -4.26 0.01 0.00 -1.51 0.00 0.00 72.50 66.54 1f28 s THR 290 CO 0.66 0.42 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.75 1f28 s ILE 291 N -1.28 2.72 -0.08 5.08 1.01 -1.26 -4.97 121.20 122.43 1f28 s ILE 291 Ca 0.43 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1f28 s ILE 291 Cb -0.24 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 1f28 s ILE 291 CO 0.30 0.38 1.63 -0.54 0.00 0.00 0.00 174.94 176.72 1f28 s LYS 292 N 1.36 4.14 -0.16 2.79 1.02 -1.26 -4.99 119.74 122.63 1f28 s LYS 292 Ca 0.03 2.11 -0.02 0.00 0.02 0.00 0.00 55.97 58.11 1f28 s LYS 292 Cb -0.15 -3.98 0.05 0.00 -0.52 0.00 0.00 37.83 33.23 1f28 s LYS 292 CO -0.07 -0.89 0.02 -1.64 -0.92 0.00 0.00 175.35 171.85 1f28 s MET 293 N 4.08 0.69 0.55 1.68 -1.94 -1.26 -4.97 119.30 118.12 1f28 s MET 293 Ca 0.72 -0.30 -0.20 0.00 -1.71 0.00 0.00 55.69 54.20 1f28 s MET 293 Cb -0.32 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 34.64 1f28 s MET 293 CO 0.29 -0.55 1.21 -1.59 -0.01 0.00 0.00 175.02 174.37 1f28 s LYS 294 N 1.87 3.22 0.39 2.03 0.00 -1.26 -5.02 119.74 120.97 1f28 s LYS 294 Ca 0.01 1.86 -0.06 0.00 0.00 0.00 0.00 55.97 57.78 1f28 s LYS 294 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 37.83 35.53 1f28 s LYS 294 CO -0.07 -1.02 0.69 1.41 0.00 0.00 0.00 175.35 176.36 1f28 s MET 295 N -3.11 3.61 -0.66 1.78 1.75 -1.26 -5.03 119.30 116.38 1f28 s MET 295 Ca 0.73 0.13 0.05 0.00 -1.25 0.00 0.00 55.69 55.35 1f28 s MET 295 Cb -0.31 -2.49 0.16 0.00 2.84 0.00 0.00 34.83 35.03 1f28 s MET 295 CO 0.35 -0.00 0.44 -1.12 -0.65 0.00 0.00 175.02 174.03 1f28 s SER 296 N -3.63 4.71 0.00 1.11 0.01 -1.26 -5.22 113.70 109.42 1f28 s SER 296 Ca 0.46 -3.65 0.00 0.00 1.31 0.00 0.00 55.95 54.07 1f28 s SER 296 Cb -0.10 -1.64 0.00 0.00 0.21 0.00 0.00 66.02 64.49 1f28 s SER 296 CO 0.36 -0.12 0.00 -0.38 0.41 0.00 0.00 173.24 173.51