#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i18 s PHE 2 N 0.00 -0.41 0.00 2.03 -0.12 -1.26 -5.06 117.98 113.15 1i18 s PHE 2 Ca 0.00 0.77 0.00 0.00 -0.05 0.00 0.00 56.93 57.65 1i18 s PHE 2 Cb 0.00 0.43 0.00 0.00 -0.63 0.00 0.00 43.02 42.82 1i18 s PHE 2 CO 0.00 -0.35 0.00 0.25 -0.05 0.00 0.00 175.22 175.07 1i18 n THR 3 N 0.99 0.00 -1.99 -4.49 -2.24 -1.26 -4.98 114.28 100.31 1i18 n THR 3 Ca -0.11 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1i18 n THR 3 Cb 0.57 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1i18 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i18 n GLY 4 N 0.49 -0.08 3.71 3.38 0.00 -1.26 -4.84 105.19 106.60 1i18 n GLY 4 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1i18 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i18 s ILE 5 N -2.05 4.69 0.01 -0.61 -1.09 -1.26 -4.81 121.20 116.08 1i18 s ILE 5 Ca 0.00 1.93 -0.15 0.00 -2.23 0.00 0.00 60.65 60.21 1i18 s ILE 5 Cb 0.00 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.58 1i18 s ILE 5 CO 0.00 0.15 0.42 -0.69 -1.23 0.00 0.00 174.94 173.59 1i18 s VAL 6 N 1.02 5.02 0.23 2.92 1.01 -1.26 -4.99 120.40 124.35 1i18 s VAL 6 Ca 0.53 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1i18 s VAL 6 Cb -0.23 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1i18 s VAL 6 CO 0.28 0.56 1.59 1.56 0.00 0.00 0.00 175.10 179.09 1i18 h GLN 7 N 4.62 0.48 -3.32 2.72 1.08 -1.96 -3.48 115.11 115.26 1i18 h GLN 7 Ca -0.51 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 56.40 1i18 h GLN 7 Cb 1.22 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.61 1i18 h GLN 7 CO 0.62 0.84 0.09 0.20 -0.95 0.00 0.00 178.83 179.63 1i18 s GLY 8 N -4.12 0.38 0.44 3.46 0.00 -0.99 -5.04 107.32 101.45 1i18 s GLY 8 Ca -0.07 -0.71 0.06 0.00 0.00 0.00 0.00 44.72 44.00 1i18 s GLY 8 CO 0.82 -0.40 0.08 -0.51 0.00 0.00 0.00 173.10 173.08 1i18 s THR 9 N -3.48 1.88 0.02 0.90 -4.23 -1.26 0.80 115.64 110.26 1i18 s THR 9 Ca 0.18 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1i18 s THR 9 Cb -0.04 -2.77 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 1i18 s THR 9 CO 0.10 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.16 1i18 s ALA 10 N -2.72 0.10 -0.30 3.99 0.00 0.21 -4.20 121.76 118.85 1i18 s ALA 10 Ca 0.30 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1i18 s ALA 10 Cb 0.06 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1i18 s ALA 10 CO 0.16 -0.14 0.10 0.21 0.00 0.00 0.00 175.76 176.09 1i18 s LYS 11 N -1.25 3.18 0.15 0.00 2.20 -0.90 0.13 119.74 123.27 1i18 s LYS 11 Ca -0.14 -0.80 -0.31 0.00 -0.36 0.00 0.00 55.97 54.36 1i18 s LYS 11 Cb -0.09 -3.42 -0.11 0.00 -1.51 0.00 0.00 37.83 32.70 1i18 s LYS 11 CO -0.01 -0.42 1.81 -0.11 -0.36 0.00 0.00 175.35 176.26 1i18 n LEU 12 N 4.90 4.07 0.00 5.43 7.94 0.65 0.11 117.00 140.09 1i18 n LEU 12 Ca -0.14 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 1i18 n LEU 12 Cb 0.48 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.87 1i18 n LEU 12 CO 0.32 0.20 -0.37 0.55 -1.11 0.00 0.00 177.39 176.98 1i18 n VAL 13 N 4.49 0.00 -3.75 1.96 3.14 -0.86 -1.04 118.33 122.27 1i18 n VAL 13 Ca 0.17 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.42 1i18 n VAL 13 Cb 0.37 -0.66 -0.10 0.00 -1.06 0.00 0.00 33.84 32.39 1i18 n VAL 13 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1i18 s SER 14 N -2.40 -0.33 -0.12 6.55 0.15 -1.15 -4.83 113.70 111.58 1i18 s SER 14 Ca 0.00 0.57 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 1i18 s SER 14 Cb 0.00 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1i18 s SER 14 CO 0.00 -0.20 0.03 -0.63 1.20 0.00 0.00 173.24 173.64 1i18 s ILE 15 N -0.17 4.53 -0.25 6.45 1.01 -1.26 -0.74 121.20 130.76 1i18 s ILE 15 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1i18 s ILE 15 Cb -0.03 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1i18 s ILE 15 CO 0.01 0.57 -0.02 -1.81 0.00 0.00 0.00 174.94 173.69 1i18 s ASP 16 N -0.55 4.50 -0.31 3.58 1.01 0.18 -4.96 116.67 120.13 1i18 s ASP 16 Ca 0.10 -0.74 -0.09 0.00 0.71 0.00 0.00 52.55 52.53 1i18 s ASP 16 Cb -0.12 -1.73 -0.00 0.00 1.01 0.00 0.00 42.92 42.08 1i18 s ASP 16 CO 0.02 -0.12 0.12 -0.70 0.21 0.00 0.00 175.17 174.70 1i18 s GLU 17 N 1.40 3.23 -0.17 8.23 2.12 -1.26 0.13 118.70 132.38 1i18 s GLU 17 Ca 0.02 -0.78 -0.03 0.00 0.36 0.00 0.00 54.97 54.54 1i18 s GLU 17 Cb -0.16 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 1i18 s GLU 17 CO -0.03 -0.43 -0.05 0.15 -0.54 0.00 0.00 175.26 174.36 1i18 s LYS 18 N 1.57 3.56 0.58 4.30 1.02 0.46 -4.96 119.74 126.27 1i18 s LYS 18 Ca 0.04 -0.57 0.24 0.00 0.02 0.00 0.00 55.97 55.70 1i18 s LYS 18 Cb -0.17 -2.90 1.31 0.00 -0.52 0.00 0.00 37.83 35.55 1i18 s LYS 18 CO 0.05 0.13 1.71 -1.00 -0.92 0.00 0.00 175.35 175.32 1i18 h PRO 19 N 7.04 0.00 0.07 -1.68 0.13 -2.02 0.54 132.00 136.09 1i18 h PRO 19 Ca -0.32 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.47 1i18 h PRO 19 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1i18 h PRO 19 CO 0.61 0.00 -1.87 0.09 -0.23 0.00 0.00 178.00 176.59 1i18 n ASN 20 N -2.66 1.61 -3.73 1.44 5.03 -1.26 -4.96 115.26 110.74 1i18 n ASN 20 Ca -0.02 0.30 -0.14 0.00 0.87 0.00 0.00 54.58 55.59 1i18 n ASN 20 Cb 0.40 -0.54 -0.08 0.00 -1.02 0.00 0.00 39.78 38.54 1i18 n ASN 20 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1i18 s PHE 21 N -2.58 -0.25 -0.01 3.10 0.08 0.19 -4.91 117.98 113.61 1i18 s PHE 21 Ca -0.15 0.38 -0.07 0.00 0.12 0.00 0.00 56.93 57.21 1i18 s PHE 21 Cb 0.07 0.14 -0.05 0.00 -0.57 0.00 0.00 43.02 42.62 1i18 s PHE 21 CO 0.79 -0.43 0.26 0.50 -0.10 0.00 0.00 175.22 176.24 1i18 s ARG 22 N -1.35 3.58 -0.01 0.44 3.52 0.10 -0.41 118.95 124.82 1i18 s ARG 22 Ca -0.13 -0.06 0.04 0.00 -0.13 0.00 0.00 55.73 55.45 1i18 s ARG 22 Cb -0.04 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1i18 s ARG 22 CO 0.05 0.67 -0.13 0.99 -0.81 0.00 0.00 175.30 176.07 1i18 s THR 23 N -1.25 1.03 -0.03 4.11 2.01 0.36 0.08 115.64 121.94 1i18 s THR 23 Ca 0.26 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.73 1i18 s THR 23 Cb -0.13 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1i18 s THR 23 CO 0.15 0.29 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.24 1i18 s HIS 24 N -0.31 1.19 -0.09 4.92 3.76 -0.38 0.50 115.29 124.88 1i18 s HIS 24 Ca 0.05 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1i18 s HIS 24 Cb -0.05 -0.83 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 1i18 s HIS 24 CO -0.00 -0.12 -0.16 0.08 -0.85 0.00 0.00 174.74 173.68 1i18 s VAL 25 N 0.13 2.82 0.41 -0.90 1.01 0.08 0.16 120.40 124.10 1i18 s VAL 25 Ca -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1i18 s VAL 25 Cb -0.09 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 1i18 s VAL 25 CO 0.01 0.56 0.02 0.68 0.00 0.00 0.00 175.10 176.37 1i18 s VAL 26 N -0.10 2.01 -0.30 2.92 -7.23 -0.68 -2.02 120.40 115.00 1i18 s VAL 26 Ca -0.03 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 1i18 s VAL 26 Cb -0.14 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 1i18 s VAL 26 CO 0.04 0.00 0.15 -0.70 -0.31 0.00 0.00 175.10 174.28 1i18 s GLU 27 N -3.72 3.50 -0.24 4.82 2.12 0.30 -0.91 118.70 124.56 1i18 s GLU 27 Ca 0.35 -0.61 -0.27 0.00 0.36 0.00 0.00 54.97 54.80 1i18 s GLU 27 Cb 0.10 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1i18 s GLU 27 CO 0.18 -0.35 0.96 -1.17 -0.54 0.00 0.00 175.26 174.34 1i18 s LEU 28 N 1.65 4.08 1.35 2.70 2.96 -0.32 -2.11 118.68 128.99 1i18 s LEU 28 Ca 0.05 1.21 -0.22 0.00 -0.22 0.00 0.00 54.13 54.96 1i18 s LEU 28 Cb -0.17 -3.40 0.34 0.00 0.50 0.00 0.00 46.19 43.47 1i18 s LEU 28 CO 0.07 -0.62 1.01 -2.16 -1.32 0.00 0.00 176.35 173.33 1i18 s PRO 29 N 3.09 -2.35 0.23 0.98 0.04 -1.26 -4.43 135.00 131.30 1i18 s PRO 29 Ca 0.40 -0.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.33 1i18 s PRO 29 Cb -0.15 -1.46 0.20 0.00 0.04 0.00 0.00 34.50 33.14 1i18 s PRO 29 CO 0.07 -4.46 1.90 0.22 0.04 0.00 0.00 177.00 174.77 1i18 h ASP 30 N -3.12 1.01 -0.07 6.66 1.82 -1.95 0.86 116.42 121.63 1i18 h ASP 30 Ca -0.42 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1i18 h ASP 30 Cb 1.31 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1i18 h ASP 30 CO 0.28 0.74 0.00 0.00 -1.61 0.00 0.00 179.24 178.65 1i18 n HIS 31 N -4.47 0.08 0.18 0.28 1.44 -1.26 -3.46 115.22 108.01 1i18 n HIS 31 Ca 0.09 -0.04 0.05 0.00 -2.01 0.00 0.00 57.72 55.81 1i18 n HIS 31 Cb 0.02 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.06 1i18 n HIS 31 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1i18 n MET 32 N 0.28 1.79 0.16 -1.40 2.81 -0.99 -4.47 117.12 115.31 1i18 n MET 32 Ca 0.18 -0.05 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 1i18 n MET 32 Cb 0.36 -1.11 0.32 0.00 -0.71 0.00 0.00 33.22 32.07 1i18 n MET 32 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1i18 h LEU 33 N 0.00 0.04 -9.22 4.03 3.38 -0.87 -3.35 115.31 109.32 1i18 h LEU 33 Ca 0.00 -0.02 -0.59 0.00 0.09 0.00 0.00 57.88 57.37 1i18 h LEU 33 Cb 0.35 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1i18 h LEU 33 CO 0.00 0.44 -0.09 -0.62 0.09 0.00 0.00 178.44 178.26 1i18 s ASP 34 N -6.91 6.62 0.00 -0.43 -1.08 -1.26 -4.26 116.67 109.36 1i18 s ASP 34 Ca -0.03 0.75 0.00 0.00 -0.52 0.00 0.00 52.55 52.75 1i18 s ASP 34 Cb 0.14 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 1i18 s ASP 34 CO 0.74 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.94 1i18 n GLY 35 N 3.58 3.09 3.77 2.66 0.00 -1.26 -5.01 105.19 112.02 1i18 n GLY 35 Ca -0.06 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1i18 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i18 s LEU 36 N 0.00 4.06 0.24 0.99 0.20 -1.26 -5.04 118.68 117.88 1i18 s LEU 36 Ca 0.00 2.31 -0.11 0.00 0.69 0.00 0.00 54.13 57.02 1i18 s LEU 36 Cb 0.00 -4.19 -0.01 0.00 -0.43 0.00 0.00 46.19 41.56 1i18 s LEU 36 CO 0.00 -0.85 0.44 -1.83 -0.29 0.00 0.00 176.35 173.82 1i18 s GLU 37 N -2.60 1.51 0.60 1.98 -1.05 -1.26 -5.02 118.70 112.86 1i18 s GLU 37 Ca 0.62 -1.30 -0.18 0.00 -0.15 0.00 0.00 54.97 53.96 1i18 s GLU 37 Cb -0.29 0.45 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1i18 s GLU 37 CO 0.35 -0.61 1.17 0.95 0.95 0.00 0.00 175.26 178.07 1i18 s THR 38 N -4.03 2.88 0.00 1.83 -4.23 -1.26 -2.04 115.64 108.78 1i18 s THR 38 Ca 0.24 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 1i18 s THR 38 Cb 0.00 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1i18 s THR 38 CO 0.09 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1i18 n GLY 39 N 0.22 0.78 3.86 3.99 0.00 -0.52 -4.89 105.19 108.64 1i18 n GLY 39 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1i18 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i18 s ALA 40 N -3.34 3.08 -0.36 4.61 0.00 -0.87 -4.64 121.76 120.24 1i18 s ALA 40 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1i18 s ALA 40 Cb 0.00 -3.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 1i18 s ALA 40 CO 0.00 -0.63 0.24 -1.54 0.00 0.00 0.00 175.76 173.83 1i18 s SER 41 N -3.96 5.97 -0.18 0.00 1.04 -1.06 -1.44 113.70 114.07 1i18 s SER 41 Ca 0.56 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 56.28 1i18 s SER 41 Cb -0.11 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 1i18 s SER 41 CO 0.50 -0.31 0.04 -0.69 0.98 0.00 0.00 173.24 173.76 1i18 s VAL 42 N 1.68 4.62 -0.27 5.02 1.01 0.57 0.13 120.40 133.15 1i18 s VAL 42 Ca 0.05 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.76 1i18 s VAL 42 Cb -0.18 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1i18 s VAL 42 CO 0.09 0.47 0.48 0.00 0.00 0.00 0.00 175.10 176.14 1i18 s ALA 43 N 0.36 3.57 -0.51 5.51 0.00 -0.51 -1.11 121.76 129.07 1i18 s ALA 43 Ca 0.02 -0.70 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1i18 s ALA 43 Cb -0.13 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.18 1i18 s ALA 43 CO 0.01 -0.76 0.85 -1.01 0.00 0.00 0.00 175.76 174.84 1i18 s HIS 44 N 2.26 2.89 -0.72 0.00 3.76 -0.29 -1.94 115.29 121.24 1i18 s HIS 44 Ca 0.19 -0.02 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1i18 s HIS 44 Cb -0.16 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1i18 s HIS 44 CO 0.10 -1.19 0.00 -1.71 -0.85 0.00 0.00 174.74 171.09 1i18 n ASN 45 N 7.05 -2.93 0.00 1.40 2.85 0.89 -1.57 115.26 122.95 1i18 n ASN 45 Ca 0.01 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1i18 n ASN 45 Cb 0.47 -2.49 0.00 0.00 1.24 0.00 0.00 39.78 39.00 1i18 n ASN 45 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i18 n GLY 46 N 0.07 0.95 3.45 8.20 0.00 -1.23 -5.02 105.19 111.60 1i18 n GLY 46 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1i18 n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i18 s LEU 49 N 1.84 1.95 0.12 0.00 2.34 -0.26 -4.93 118.68 119.73 1i18 s LEU 49 Ca 0.56 -1.04 0.03 0.00 0.06 0.00 0.00 54.13 53.73 1i18 s LEU 49 Cb -0.25 0.41 -0.04 0.00 -0.56 0.00 0.00 46.19 45.75 1i18 s LEU 49 CO 0.24 -0.69 0.19 -0.89 -1.06 0.00 0.00 176.35 174.14 1i18 s THR 50 N -3.97 4.98 -0.24 5.48 2.01 -1.26 -0.32 115.64 122.31 1i18 s THR 50 Ca 0.15 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1i18 s THR 50 Cb 0.07 -3.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.08 1i18 s THR 50 CO -0.04 -0.00 1.22 -0.69 -0.69 0.00 0.00 174.62 174.41 1i18 s VAL 51 N -1.62 4.32 0.14 3.82 1.01 -0.52 -2.05 120.40 125.49 1i18 s VAL 51 Ca 0.33 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 1i18 s VAL 51 Cb -0.11 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1i18 s VAL 51 CO 0.26 -0.31 1.46 0.71 0.00 0.00 0.00 175.10 177.21 1i18 h THR 52 N 5.69 1.27 -2.23 3.92 1.35 -0.80 -1.38 112.91 120.73 1i18 h THR 52 Ca -0.24 -1.61 0.05 0.00 -0.55 0.00 0.00 66.41 64.05 1i18 h THR 52 Cb 1.09 1.45 -0.17 0.00 -1.73 0.00 0.00 68.15 68.79 1i18 h THR 52 CO 1.00 0.54 0.39 -0.70 -0.25 0.00 0.00 175.52 176.50 1i18 s GLU 53 N -4.32 0.91 -0.15 4.72 2.56 -0.96 -4.83 118.70 116.63 1i18 s GLU 53 Ca -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.97 54.69 1i18 s GLU 53 Cb 0.11 0.42 -0.02 0.00 2.00 0.00 0.00 34.13 36.64 1i18 s GLU 53 CO 0.89 -0.36 -0.06 0.42 -0.56 0.00 0.00 175.26 175.58 1i18 s ILE 54 N -2.49 3.66 -0.95 -3.70 1.01 -1.26 0.55 121.20 118.01 1i18 s ILE 54 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1i18 s ILE 54 Cb -0.01 -2.58 0.31 0.00 0.01 0.00 0.00 42.46 40.19 1i18 s ILE 54 CO -0.04 0.50 1.45 0.59 0.00 0.00 0.00 174.94 177.44 1i18 n ASN 55 N 3.51 6.21 0.00 3.58 3.02 0.95 -4.95 115.26 127.57 1i18 n ASN 55 Ca -0.18 -3.54 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 1i18 n ASN 55 Cb 0.53 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1i18 n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i18 n GLY 56 N 0.62 2.10 0.20 7.41 0.00 -1.26 -2.24 105.19 112.03 1i18 n GLY 56 Ca 0.34 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.19 1i18 n GLY 56 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1i18 h ASN 57 N 0.00 0.00 -4.33 1.61 -1.07 -1.93 -3.46 115.58 106.41 1i18 h ASN 57 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.86 1i18 h ASN 57 Cb 0.00 0.00 0.08 0.00 -2.07 0.00 0.00 38.32 36.33 1i18 h ASN 57 CO 0.00 0.11 0.39 -1.00 0.07 0.00 0.00 177.43 177.00 1i18 s HIS 58 N -3.16 3.31 -0.05 4.14 3.76 -0.95 -1.17 115.29 121.18 1i18 s HIS 58 Ca 0.06 1.38 -0.02 0.00 -0.15 0.00 0.00 55.06 56.33 1i18 s HIS 58 Cb 0.06 -2.82 0.03 0.00 1.11 0.00 0.00 32.58 30.95 1i18 s HIS 58 CO 0.69 -0.98 0.08 0.08 -0.85 0.00 0.00 174.74 173.76 1i18 s VAL 59 N -3.04 -0.14 0.07 -0.90 1.01 -0.09 -0.04 120.40 117.28 1i18 s VAL 59 Ca 0.57 0.38 -0.25 0.00 0.00 0.00 0.00 61.98 62.68 1i18 s VAL 59 Cb -0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 1i18 s VAL 59 CO 0.52 0.16 0.78 -0.55 0.00 0.00 0.00 175.10 176.01 1i18 s SER 60 N 2.04 7.26 0.25 3.32 0.15 0.19 -1.69 113.70 125.22 1i18 s SER 60 Ca 0.03 1.50 0.10 0.00 0.70 0.00 0.00 55.95 58.28 1i18 s SER 60 Cb -0.12 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1i18 s SER 60 CO -0.04 0.04 -0.09 -0.36 1.20 0.00 0.00 173.24 173.99 1i18 s PHE 61 N -0.21 2.55 0.16 3.44 0.08 0.42 -0.12 117.98 124.30 1i18 s PHE 61 Ca 0.39 -0.26 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1i18 s PHE 61 Cb -0.21 -1.16 -0.07 0.00 -0.57 0.00 0.00 43.02 41.02 1i18 s PHE 61 CO 0.24 0.62 0.49 0.16 -0.10 0.00 0.00 175.22 176.63 1i18 s ASP 62 N -3.40 6.66 -0.29 1.36 -4.77 -0.87 -1.25 116.67 114.12 1i18 s ASP 62 Ca 0.29 0.89 -0.13 0.00 -3.30 0.00 0.00 52.55 50.30 1i18 s ASP 62 Cb -0.07 -2.21 0.10 0.00 -1.09 0.00 0.00 42.92 39.66 1i18 s ASP 62 CO 0.17 0.05 0.66 -0.76 0.70 0.00 0.00 175.17 175.99 1i18 s LEU 63 N -2.35 -1.03 0.27 2.11 1.43 0.11 -4.59 118.68 114.64 1i18 s LEU 63 Ca 0.40 1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 54.84 1i18 s LEU 63 Cb -0.13 2.31 -0.09 0.00 0.03 0.00 0.00 46.19 48.32 1i18 s LEU 63 CO 0.20 -0.23 0.76 -0.32 0.23 0.00 0.00 176.35 177.00 1i18 s MET 64 N 2.26 4.21 0.10 1.70 -2.45 -1.26 0.01 119.30 123.87 1i18 s MET 64 Ca -0.08 0.87 -0.22 0.00 -1.25 0.00 0.00 55.69 55.01 1i18 s MET 64 Cb -0.09 -2.70 -0.11 0.00 1.25 0.00 0.00 34.83 33.18 1i18 s MET 64 CO -0.19 0.29 1.75 -0.22 1.05 0.00 0.00 175.02 177.70 1i18 h LYS 65 N 2.96 0.12 -0.40 4.11 3.64 -1.91 0.81 116.57 125.90 1i18 h LYS 65 Ca -0.48 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 58.74 1i18 h LYS 65 Cb 1.19 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1i18 h LYS 65 CO 0.65 0.08 -0.36 1.49 -2.27 0.00 0.00 179.45 179.04 1i18 h GLU 66 N 0.12 0.95 -0.75 1.90 4.57 -1.99 -0.65 114.58 118.74 1i18 h GLU 66 Ca 0.03 -0.49 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1i18 h GLU 66 Cb -0.01 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1i18 h GLU 66 CO -0.01 1.15 0.36 1.15 -1.18 0.00 0.00 179.01 180.48 1i18 h THR 67 N 0.78 1.24 -0.27 0.32 2.02 -1.90 0.26 112.91 115.36 1i18 h THR 67 Ca 0.07 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1i18 h THR 67 Cb 0.96 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1i18 h THR 67 CO 0.09 0.29 0.18 0.25 0.37 0.00 0.00 175.52 176.69 1i18 h LEU 68 N 1.07 0.31 -0.64 2.58 5.85 0.11 0.15 115.31 124.72 1i18 h LEU 68 Ca 0.26 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.88 1i18 h LEU 68 Cb 0.12 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1i18 h LEU 68 CO -0.03 0.22 0.05 -0.09 -0.34 0.00 0.00 178.44 178.25 1i18 h ARG 69 N 0.36 1.10 -0.65 1.25 2.43 -0.50 -2.91 114.38 115.45 1i18 h ARG 69 Ca 0.10 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 58.89 1i18 h ARG 69 Cb -0.04 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1i18 h ARG 69 CO -0.02 1.04 0.19 0.97 -1.51 0.00 0.00 179.97 180.64 1i18 h ILE 70 N 1.01 1.25 -4.56 1.20 2.10 -0.05 -3.43 117.51 115.03 1i18 h ILE 70 Ca 0.19 -0.88 -0.33 0.00 1.08 0.00 0.00 64.86 64.92 1i18 h ILE 70 Cb 0.51 0.59 0.08 0.00 -1.09 0.00 0.00 36.82 36.91 1i18 h ILE 70 CO 0.02 0.34 0.13 0.35 -1.08 0.00 0.00 178.15 177.91 1i18 n THR 71 N -4.34 0.00 -1.08 2.19 -2.24 0.47 -4.97 114.28 104.31 1i18 n THR 71 Ca 0.04 -1.04 -0.09 0.00 -2.27 0.00 0.00 64.05 60.69 1i18 n THR 71 Cb 0.23 -1.16 0.29 0.00 -2.10 0.00 0.00 70.33 67.58 1i18 n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1i18 n ASN 72 N -3.08 4.74 -0.18 3.42 5.15 -1.26 -4.37 115.26 119.68 1i18 n ASN 72 Ca 0.12 -3.29 -0.11 0.00 -0.60 0.00 0.00 54.58 50.71 1i18 n ASN 72 Cb 0.42 -0.77 0.01 0.00 -0.53 0.00 0.00 39.78 38.91 1i18 n ASN 72 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1i18 h LEU 73 N 2.46 1.04 -2.14 1.20 3.38 -1.87 -2.82 115.31 116.56 1i18 h LEU 73 Ca 0.33 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1i18 h LEU 73 Cb 2.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.91 1i18 h LEU 73 CO 0.81 1.17 0.30 1.23 0.09 0.00 0.00 178.44 182.05 1i18 h GLY 74 N 0.90 0.00 2.00 0.83 0.00 -1.74 -1.12 103.07 103.94 1i18 h GLY 74 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1i18 h GLY 74 CO 0.06 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.89 1i18 h ASP 75 N 0.00 0.00 -3.97 0.19 2.03 -1.81 -3.44 116.42 109.42 1i18 h ASP 75 Ca 0.10 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 55.85 1i18 h ASP 75 Cb 0.70 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 39.31 1i18 h ASP 75 CO -0.00 0.00 0.75 -0.76 -1.03 0.00 0.00 179.24 178.20 1i18 s LEU 76 N -5.22 4.20 0.01 0.15 1.43 -0.43 -5.01 118.68 113.81 1i18 s LEU 76 Ca -0.01 3.01 -0.00 0.00 -1.03 0.00 0.00 54.13 56.10 1i18 s LEU 76 Cb 0.09 -3.81 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1i18 s LEU 76 CO 0.36 -1.06 -0.01 -0.54 0.23 0.00 0.00 176.35 175.33 1i18 s LYS 77 N -2.30 0.10 0.60 1.70 -0.14 -1.26 -5.11 119.74 113.33 1i18 s LYS 77 Ca 0.57 -0.20 -0.19 0.00 -1.36 0.00 0.00 55.97 54.80 1i18 s LYS 77 Cb -0.46 0.04 -0.03 0.00 -1.68 0.00 0.00 37.83 35.70 1i18 s LYS 77 CO 0.60 -0.02 1.25 0.08 -0.76 0.00 0.00 175.35 176.51 1i18 s VAL 78 N -0.48 2.37 0.00 3.17 1.01 -1.26 -1.80 120.40 123.41 1i18 s VAL 78 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1i18 s VAL 78 Cb -0.03 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1i18 s VAL 78 CO -0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1i18 n GLY 79 N 0.68 2.20 3.96 4.51 0.00 -0.21 -4.98 105.19 111.35 1i18 n GLY 79 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1i18 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i18 s ASP 80 N -2.27 6.03 0.30 1.61 -1.08 -0.74 -4.87 116.67 115.65 1i18 s ASP 80 Ca 0.00 0.16 0.09 0.00 -0.52 0.00 0.00 52.55 52.29 1i18 s ASP 80 Cb 0.00 -1.60 -0.05 0.00 -1.46 0.00 0.00 42.92 39.81 1i18 s ASP 80 CO 0.00 -0.46 0.02 0.26 0.52 0.00 0.00 175.17 175.51 1i18 s TRP 81 N -2.32 2.64 -0.01 -5.34 0.52 -1.26 -0.26 118.94 112.91 1i18 s TRP 81 Ca 0.44 -0.31 0.04 0.00 0.02 0.00 0.00 56.10 56.28 1i18 s TRP 81 Cb -0.10 -1.34 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 1i18 s TRP 81 CO 0.34 0.54 -0.12 0.54 0.02 0.00 0.00 176.95 178.27 1i18 s VAL 82 N -2.40 0.95 -0.47 4.03 0.11 0.36 -4.88 120.40 118.09 1i18 s VAL 82 Ca 0.33 -0.53 -0.27 0.00 -2.93 0.00 0.00 61.98 58.58 1i18 s VAL 82 Cb -0.04 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.99 1i18 s VAL 82 CO 0.20 0.25 1.96 0.20 -3.33 0.00 0.00 175.10 174.38 1i18 s ASN 83 N -0.32 5.34 -0.11 3.54 0.02 -1.26 0.66 114.94 122.82 1i18 s ASN 83 Ca 0.04 0.88 -0.03 0.00 -1.02 0.00 0.00 52.86 52.74 1i18 s ASN 83 Cb -0.05 -2.52 -0.03 0.00 0.02 0.00 0.00 41.25 38.67 1i18 s ASN 83 CO -0.00 -2.22 0.01 0.68 0.02 0.00 0.00 177.10 175.58 1i18 s VAL 84 N 8.86 4.36 -0.04 1.60 -7.23 0.24 0.30 120.40 128.48 1i18 s VAL 84 Ca 0.79 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 1i18 s VAL 84 Cb -0.18 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.92 1i18 s VAL 84 CO 0.27 0.58 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.86 1i18 s GLU 85 N -0.60 1.03 0.28 4.82 2.12 -0.82 -2.35 118.70 123.18 1i18 s GLU 85 Ca 0.10 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.91 1i18 s GLU 85 Cb -0.12 -0.95 -0.10 0.00 0.26 0.00 0.00 34.13 33.22 1i18 s GLU 85 CO 0.02 -0.00 1.17 0.50 -0.54 0.00 0.00 175.26 176.41 1i18 s ARG 86 N 0.64 4.55 0.06 4.30 3.52 -1.26 -1.43 118.95 129.33 1i18 s ARG 86 Ca -0.10 1.92 0.04 0.00 -0.13 0.00 0.00 55.73 57.46 1i18 s ARG 86 Cb -0.13 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1i18 s ARG 86 CO 0.01 0.06 -0.12 0.00 -0.81 0.00 0.00 175.30 174.44 1i18 s ALA 87 N -0.98 0.96 -0.01 6.12 0.00 0.35 -4.91 121.76 123.31 1i18 s ALA 87 Ca 0.47 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1i18 s ALA 87 Cb -0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1i18 s ALA 87 CO 0.43 0.10 -0.20 0.00 0.00 0.00 0.00 175.76 176.09 1i18 s ALA 88 N -1.32 2.45 0.25 0.00 0.00 -1.26 -2.56 121.76 119.32 1i18 s ALA 88 Ca -0.05 -1.11 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 1i18 s ALA 88 Cb -0.10 -0.72 0.25 0.00 0.00 0.00 0.00 23.12 22.55 1i18 s ALA 88 CO 0.02 0.55 1.92 0.87 0.00 0.00 0.00 175.76 179.12 1i18 h LYS 89 N 5.11 1.31 -6.08 0.00 1.79 -1.96 -3.44 116.57 113.31 1i18 h LYS 89 Ca -0.46 -0.09 -0.60 0.00 -2.18 0.00 0.00 60.65 57.32 1i18 h LYS 89 Cb 1.14 -0.29 -0.13 0.00 -1.58 0.00 0.00 32.23 31.37 1i18 h LYS 89 CO 0.48 0.88 -0.70 -0.59 -1.08 0.00 0.00 179.45 178.44 1i18 s PHE 90 N -6.08 2.41 -0.16 -1.35 -0.12 -1.26 -5.13 117.98 106.28 1i18 s PHE 90 Ca -0.13 -0.40 -0.06 0.00 -0.05 0.00 0.00 56.93 56.29 1i18 s PHE 90 Cb 0.18 -1.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.30 1i18 s PHE 90 CO 0.82 0.62 0.03 -1.12 -0.05 0.00 0.00 175.22 175.53 1i18 s SER 91 N -3.59 5.42 0.25 1.98 0.01 -1.26 -4.99 113.70 111.52 1i18 s SER 91 Ca 0.32 0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.58 1i18 s SER 91 Cb -0.02 -1.88 0.27 0.00 0.21 0.00 0.00 66.02 64.61 1i18 s SER 91 CO 0.17 0.20 1.87 0.44 0.41 0.00 0.00 173.24 176.33 1i18 h ASP 92 N 6.48 1.06 -6.95 2.44 3.32 -2.00 -3.46 116.42 117.31 1i18 h ASP 92 Ca -0.37 -0.09 -0.57 0.00 0.02 0.00 0.00 57.03 56.01 1i18 h ASP 92 Cb 1.18 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.31 1i18 h ASP 92 CO 0.67 0.85 -0.91 -1.84 -1.72 0.00 0.00 179.24 176.29 1i18 n GLU 93 N -4.34 -0.76 -0.11 3.56 0.28 -1.26 -4.81 120.64 113.20 1i18 n GLU 93 Ca 0.09 0.06 -0.13 0.00 -0.16 0.00 0.00 57.16 57.02 1i18 n GLU 93 Cb 0.10 -3.00 -0.02 0.00 1.43 0.00 0.00 31.44 29.95 1i18 n GLU 93 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1i18 h ILE 94 N -1.76 1.27 0.00 3.84 1.08 -2.05 -3.48 117.51 116.40 1i18 h ILE 94 Ca -0.62 -1.59 0.00 0.00 -0.39 0.00 0.00 64.86 62.26 1i18 h ILE 94 Cb 1.30 1.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 1i18 h ILE 94 CO 0.61 0.53 0.00 0.61 -0.69 0.00 0.00 178.15 179.21 1i18 n GLY 95 N 0.17 0.95 5.43 5.37 0.00 -1.26 -5.07 105.19 110.78 1i18 n GLY 95 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1i18 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i18 n GLY 96 N 0.00 -1.96 3.48 -0.02 0.00 -1.26 -5.28 105.19 100.15 1i18 n GLY 96 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1i18 n GLY 96 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74