#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i18 n PHE 2 N 0.00 0.00 0.00 2.03 1.16 -1.26 -5.08 117.46 114.31 1i18 n PHE 2 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1i18 n PHE 2 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1i18 n PHE 2 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1i18 n THR 3 N -0.00 0.00 -1.39 1.97 -2.24 -1.26 -4.98 114.28 106.38 1i18 n THR 3 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1i18 n THR 3 Cb 0.00 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.67 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 2.55 1.34 3.76 3.38 0.00 -1.26 -4.91 105.19 110.05 1i18 n GLY 4 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.17 4.94 -0.10 -0.61 -1.09 -1.26 -4.96 121.20 115.94 1i18 s ILE 5 Ca 0.00 1.24 -0.04 0.00 -2.23 0.00 0.00 60.65 59.61 1i18 s ILE 5 Cb 0.00 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1i18 s ILE 5 CO 0.00 0.40 0.07 -0.69 -1.23 0.00 0.00 174.94 173.49 1i18 s VAL 6 N -0.09 4.90 0.25 2.92 1.01 -1.26 -5.00 120.40 123.13 1i18 s VAL 6 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 1i18 s VAL 6 Cb -0.18 -3.10 0.26 0.00 0.00 0.00 0.00 36.38 33.36 1i18 s VAL 6 CO 0.17 0.61 1.93 1.56 0.00 0.00 0.00 175.10 179.37 1i18 h GLN 7 N 5.08 1.33 0.00 2.72 4.20 -1.96 -3.48 115.11 123.00 1i18 h GLN 7 Ca -0.53 -0.08 0.15 0.00 0.06 0.00 0.00 58.65 58.25 1i18 h GLN 7 Cb 1.21 -0.30 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 1i18 h GLN 7 CO 0.56 0.88 0.47 0.41 -0.67 0.00 0.00 178.83 180.48 1i18 n GLY 8 N -1.38 0.69 3.66 3.46 0.00 -0.99 -5.02 105.19 105.62 1i18 n GLY 8 Ca 0.12 -1.06 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1i18 n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i18 s THR 9 N -2.17 2.13 0.04 2.61 -4.23 -1.26 0.45 115.64 113.21 1i18 s THR 9 Ca 0.17 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1i18 s THR 9 Cb -0.02 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 1i18 s THR 9 CO 0.03 -0.01 -0.08 0.00 -0.54 0.00 0.00 174.62 174.02 1i18 s ALA 10 N -2.66 0.64 -0.31 3.99 0.00 0.23 -4.09 121.76 119.55 1i18 s ALA 10 Ca 0.37 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.54 1i18 s ALA 10 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1i18 s ALA 10 CO 0.20 0.04 0.17 0.21 0.00 0.00 0.00 175.76 176.37 1i18 s LYS 11 N -1.29 3.38 0.15 0.00 2.20 -0.70 0.16 119.74 123.64 1i18 s LYS 11 Ca -0.06 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 1i18 s LYS 11 Cb -0.08 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.52 1i18 s LYS 11 CO 0.00 -0.41 1.82 -0.11 -0.36 0.00 0.00 175.35 176.29 1i18 n LEU 12 N 5.00 4.06 0.00 5.43 7.94 0.73 0.13 117.00 140.29 1i18 n LEU 12 Ca -0.14 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.77 1i18 n LEU 12 Cb 0.49 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1i18 n LEU 12 CO 0.34 0.19 -0.33 0.55 -1.11 0.00 0.00 177.39 177.04 1i18 n VAL 13 N 4.53 0.00 -3.79 1.96 3.14 -0.84 -1.03 118.33 122.31 1i18 n VAL 13 Ca 0.17 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.43 1i18 n VAL 13 Cb 0.37 -0.56 -0.11 0.00 -1.06 0.00 0.00 33.84 32.48 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 -2.21 -0.23 -0.15 6.55 0.15 -1.14 -4.84 113.70 111.83 1i18 s SER 14 Ca 0.00 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 57.01 1i18 s SER 14 Cb 0.00 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 1i18 s SER 14 CO 0.00 -0.15 -0.04 -0.63 1.20 0.00 0.00 173.24 173.62 1i18 s ILE 15 N -0.15 3.89 -0.29 6.45 1.01 -1.26 -0.93 121.20 129.92 1i18 s ILE 15 Ca -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 1i18 s ILE 15 Cb -0.03 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1i18 s ILE 15 CO 0.01 0.50 0.09 -1.81 0.00 0.00 0.00 174.94 173.72 1i18 s ASP 16 N 0.29 5.16 -0.33 3.58 1.01 0.15 -4.99 116.67 121.55 1i18 s ASP 16 Ca -0.03 -0.64 -0.10 0.00 0.71 0.00 0.00 52.55 52.49 1i18 s ASP 16 Cb -0.14 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 41.89 1i18 s ASP 16 CO 0.03 -0.18 0.17 -1.61 0.21 0.00 0.00 175.17 173.79 1i18 s GLU 17 N 1.52 3.23 -0.14 8.23 2.02 -1.26 0.10 118.70 132.40 1i18 s GLU 17 Ca 0.03 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1i18 s GLU 17 Cb -0.17 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.44 1i18 s GLU 17 CO 0.03 -0.48 -0.12 0.15 0.02 0.00 0.00 175.26 174.86 1i18 s LYS 18 N 1.60 3.40 0.56 1.61 1.02 -0.17 -4.96 119.74 122.80 1i18 s LYS 18 Ca 0.04 -0.67 0.23 0.00 0.02 0.00 0.00 55.97 55.59 1i18 s LYS 18 Cb -0.18 -2.68 1.27 0.00 -0.52 0.00 0.00 37.83 35.72 1i18 s LYS 18 CO 0.06 0.17 1.68 -1.00 -0.92 0.00 0.00 175.35 175.35 1i18 h PRO 19 N 6.84 0.00 0.04 -1.68 0.13 -2.02 0.39 132.00 135.70 1i18 h PRO 19 Ca -0.28 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.52 1i18 h PRO 19 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1i18 h PRO 19 CO 0.57 0.00 -1.94 0.09 -0.23 0.00 0.00 178.00 176.49 1i18 n ASN 20 N -2.61 1.19 -3.61 1.44 5.03 -1.26 -4.98 115.26 110.47 1i18 n ASN 20 Ca -0.02 0.26 -0.16 0.00 0.87 0.00 0.00 54.58 55.53 1i18 n ASN 20 Cb 0.39 -0.17 -0.07 0.00 -1.02 0.00 0.00 39.78 38.91 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 -2.57 -0.48 0.12 3.10 0.08 0.14 -4.94 117.98 113.43 1i18 s PHE 21 Ca -0.13 0.79 -0.14 0.00 0.12 0.00 0.00 56.93 57.58 1i18 s PHE 21 Cb 0.07 0.30 -0.07 0.00 -0.57 0.00 0.00 43.02 42.75 1i18 s PHE 21 CO 0.79 -0.53 0.52 0.50 -0.10 0.00 0.00 175.22 176.40 1i18 s ARG 22 N -1.30 3.97 -0.02 0.44 3.52 -0.61 -1.00 118.95 123.94 1i18 s ARG 22 Ca -0.12 0.47 0.04 0.00 -0.13 0.00 0.00 55.73 55.99 1i18 s ARG 22 Cb -0.02 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 1i18 s ARG 22 CO 0.07 0.52 -0.14 0.99 -0.81 0.00 0.00 175.30 175.93 1i18 s THR 23 N -1.40 1.11 -0.02 4.11 2.01 0.28 -0.45 115.64 121.27 1i18 s THR 23 Ca 0.36 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.82 1i18 s THR 23 Cb -0.15 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1i18 s THR 23 CO 0.19 0.32 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.32 1i18 s HIS 24 N -0.10 1.17 -0.07 4.92 3.76 -0.39 0.31 115.29 124.90 1i18 s HIS 24 Ca 0.01 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.69 1i18 s HIS 24 Cb -0.08 -0.80 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 1i18 s HIS 24 CO 0.00 -0.09 -0.23 0.08 -0.85 0.00 0.00 174.74 173.65 1i18 s VAL 25 N 0.00 2.22 0.42 -0.90 1.01 -0.11 0.12 120.40 123.17 1i18 s VAL 25 Ca -0.01 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.04 1i18 s VAL 25 Cb -0.08 -1.82 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 1i18 s VAL 25 CO 0.01 0.57 0.09 0.68 0.00 0.00 0.00 175.10 176.45 1i18 s VAL 26 N -0.14 2.05 -0.28 2.92 -7.23 -0.46 -1.98 120.40 115.28 1i18 s VAL 26 Ca -0.04 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1i18 s VAL 26 Cb -0.14 -2.91 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 1i18 s VAL 26 CO 0.04 0.00 0.08 -0.70 -0.31 0.00 0.00 175.10 174.21 1i18 s GLU 27 N -3.82 3.29 -0.04 4.82 2.12 0.34 -0.61 118.70 124.79 1i18 s GLU 27 Ca 0.35 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.67 1i18 s GLU 27 Cb 0.06 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1i18 s GLU 27 CO 0.19 -0.36 0.93 -1.17 -0.54 0.00 0.00 175.26 174.31 1i18 s LEU 28 N 1.54 4.32 1.22 2.70 2.96 -0.44 -1.72 118.68 129.27 1i18 s LEU 28 Ca 0.04 1.52 -0.19 0.00 -0.22 0.00 0.00 54.13 55.29 1i18 s LEU 28 Cb -0.16 -3.47 0.29 0.00 0.50 0.00 0.00 46.19 43.35 1i18 s LEU 28 CO 0.03 -0.29 1.07 -2.16 -1.32 0.00 0.00 176.35 173.69 1i18 s PRO 29 N 1.27 -1.36 0.25 0.98 0.04 -1.26 -4.52 135.00 130.39 1i18 s PRO 29 Ca 0.48 0.06 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1i18 s PRO 29 Cb -0.20 -1.57 0.26 0.00 0.04 0.00 0.00 34.50 33.03 1i18 s PRO 29 CO 0.23 -3.83 1.93 -0.44 0.04 0.00 0.00 177.00 174.93 1i18 h ASP 30 N -2.67 1.16 -0.04 6.66 3.32 -1.96 0.22 116.42 123.11 1i18 h ASP 30 Ca -0.46 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1i18 h ASP 30 Cb 1.31 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1i18 h ASP 30 CO 0.36 0.84 0.00 0.00 -1.72 0.00 0.00 179.24 178.72 1i18 n HIS 31 N -4.38 0.04 0.34 4.55 1.44 -1.26 -3.40 115.22 112.55 1i18 n HIS 31 Ca 0.12 -0.02 0.03 0.00 -2.01 0.00 0.00 57.72 55.84 1i18 n HIS 31 Cb 0.01 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.08 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 0.19 4.46 0.24 -1.40 2.81 -0.99 -4.43 117.12 118.01 1i18 n MET 32 Ca 0.19 -0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.16 1i18 n MET 32 Cb 0.35 -0.85 0.56 0.00 -0.71 0.00 0.00 33.22 32.57 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 0.06 0.00 -9.31 4.03 3.38 -0.98 -3.38 115.31 109.12 1i18 h LEU 33 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1i18 h LEU 33 Cb 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 1i18 h LEU 33 CO 0.00 0.16 -0.25 -1.81 0.09 0.00 0.00 178.44 176.63 1i18 s ASP 34 N -6.07 6.53 0.00 -0.43 1.01 -1.26 -4.40 116.67 112.06 1i18 s ASP 34 Ca 0.00 0.62 0.00 0.00 0.71 0.00 0.00 52.55 53.88 1i18 s ASP 34 Cb 0.10 -2.22 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1i18 s ASP 34 CO 0.61 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.65 1i18 n GLY 35 N 3.36 3.05 3.77 0.21 0.00 -1.26 -5.04 105.19 109.28 1i18 n GLY 35 Ca -0.10 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 3.81 0.24 0.99 0.20 -1.26 -5.04 118.68 117.62 1i18 s LEU 36 Ca 0.00 2.20 -0.11 0.00 0.69 0.00 0.00 54.13 56.90 1i18 s LEU 36 Cb 0.00 -4.50 -0.01 0.00 -0.43 0.00 0.00 46.19 41.25 1i18 s LEU 36 CO 0.00 -1.13 0.44 -1.83 -0.29 0.00 0.00 176.35 173.54 1i18 s GLU 37 N -3.14 1.51 0.67 1.98 -1.05 -1.26 -5.06 118.70 112.35 1i18 s GLU 37 Ca 0.70 -1.30 -0.16 0.00 -0.15 0.00 0.00 54.97 54.07 1i18 s GLU 37 Cb -0.25 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1i18 s GLU 37 CO 0.28 -0.61 1.17 0.95 0.95 0.00 0.00 175.26 178.00 1i18 s THR 38 N -4.03 2.73 0.00 1.83 -4.23 -1.26 -2.37 115.64 108.30 1i18 s THR 38 Ca 0.24 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1i18 s THR 38 Cb 0.00 -2.95 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1i18 s THR 38 CO 0.09 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1i18 n GLY 39 N 0.09 1.24 3.85 3.99 0.00 -0.47 -4.89 105.19 108.99 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 -3.42 2.96 -0.44 4.61 0.00 -1.00 -4.63 121.76 119.84 1i18 s ALA 40 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1i18 s ALA 40 Cb 0.00 -3.13 0.05 0.00 0.00 0.00 0.00 23.12 20.04 1i18 s ALA 40 CO 0.00 -0.71 0.34 -1.54 0.00 0.00 0.00 175.76 173.85 1i18 s SER 41 N -3.68 6.10 -0.09 0.00 1.04 -1.14 -1.18 113.70 114.76 1i18 s SER 41 Ca 0.58 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.74 1i18 s SER 41 Cb -0.12 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 1i18 s SER 41 CO 0.47 -0.54 0.40 -0.69 0.98 0.00 0.00 173.24 173.86 1i18 s VAL 42 N 1.65 5.18 -0.28 5.02 1.01 0.67 -0.03 120.40 133.62 1i18 s VAL 42 Ca 0.04 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.69 1i18 s VAL 42 Cb -0.21 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1i18 s VAL 42 CO 0.08 0.43 0.28 0.00 0.00 0.00 0.00 175.10 175.88 1i18 s ALA 43 N 0.03 3.55 -0.51 5.51 0.00 -0.64 -1.05 121.76 128.66 1i18 s ALA 43 Ca 0.22 -0.96 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 1i18 s ALA 43 Cb -0.15 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1i18 s ALA 43 CO 0.09 -0.60 0.78 -1.01 0.00 0.00 0.00 175.76 175.03 1i18 s HIS 44 N 1.91 2.94 -0.64 0.00 3.76 -0.29 -1.97 115.29 120.99 1i18 s HIS 44 Ca 0.11 -0.14 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1i18 s HIS 44 Cb -0.16 -3.75 0.00 0.00 1.11 0.00 0.00 32.58 29.78 1i18 s HIS 44 CO 0.10 -1.13 0.00 -1.71 -0.85 0.00 0.00 174.74 171.15 1i18 n ASN 45 N 6.80 -4.07 0.00 1.40 2.85 0.90 -1.60 115.26 121.55 1i18 n ASN 45 Ca -0.01 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 1i18 n ASN 45 Cb 0.47 -3.00 0.00 0.00 1.24 0.00 0.00 39.78 38.49 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 0.30 1.09 3.47 8.20 0.00 -1.24 -5.04 105.19 111.96 1i18 n GLY 46 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 0.98 1.39 0.12 0.00 2.34 -0.21 -4.95 118.68 118.34 1i18 s LEU 49 Ca 0.55 -0.73 0.02 0.00 0.06 0.00 0.00 54.13 54.03 1i18 s LEU 49 Cb -0.26 1.01 -0.04 0.00 -0.56 0.00 0.00 46.19 46.34 1i18 s LEU 49 CO 0.29 -0.76 0.23 -0.89 -1.06 0.00 0.00 176.35 174.17 1i18 s THR 50 N -3.89 5.23 -0.34 5.48 2.01 -1.26 -0.24 115.64 122.63 1i18 s THR 50 Ca 0.08 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 1i18 s THR 50 Cb 0.05 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.93 1i18 s THR 50 CO -0.08 -0.00 1.27 -0.69 -0.69 0.00 0.00 174.62 174.43 1i18 s VAL 51 N -1.65 4.15 0.11 3.82 1.01 -0.32 -2.46 120.40 125.06 1i18 s VAL 51 Ca 0.34 1.27 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 1i18 s VAL 51 Cb -0.12 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.93 1i18 s VAL 51 CO 0.28 -0.59 1.42 0.71 0.00 0.00 0.00 175.10 176.92 1i18 h THR 52 N 6.05 1.29 -2.99 3.92 1.35 -0.83 -1.24 112.91 120.46 1i18 h THR 52 Ca -0.25 -1.55 -0.02 0.00 -0.55 0.00 0.00 66.41 64.04 1i18 h THR 52 Cb 1.09 1.57 -0.12 0.00 -1.73 0.00 0.00 68.15 68.96 1i18 h THR 52 CO 1.05 0.50 0.21 -1.83 -0.25 0.00 0.00 175.52 175.21 1i18 s GLU 53 N -4.29 1.28 -0.15 4.72 -1.05 -1.02 -4.81 118.70 113.39 1i18 s GLU 53 Ca -0.12 -0.47 -0.03 0.00 -0.15 0.00 0.00 54.97 54.20 1i18 s GLU 53 Cb 0.09 0.59 -0.02 0.00 -0.44 0.00 0.00 34.13 34.35 1i18 s GLU 53 CO 0.85 -0.56 -0.07 0.42 0.95 0.00 0.00 175.26 176.86 1i18 s ILE 54 N -3.74 3.64 -0.97 1.83 1.01 -1.26 0.00 121.20 121.70 1i18 s ILE 54 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1i18 s ILE 54 Cb -0.01 -2.58 0.32 0.00 0.01 0.00 0.00 42.46 40.20 1i18 s ILE 54 CO -0.13 0.50 1.58 0.59 0.00 0.00 0.00 174.94 177.49 1i18 n ASN 55 N 3.51 6.61 0.00 3.58 3.02 0.11 -4.95 115.26 127.15 1i18 n ASN 55 Ca -0.18 -3.60 0.00 0.00 -0.03 0.00 0.00 54.58 50.77 1i18 n ASN 55 Cb 0.53 -1.10 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 0.33 2.29 0.23 7.41 0.00 -1.26 -2.08 105.19 112.11 1i18 n GLY 56 Ca 0.39 -0.34 0.12 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 -4.31 1.61 -1.07 -1.93 -3.45 115.58 106.44 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 0.05 0.38 -1.00 0.07 0.00 0.00 177.43 176.93 1i18 s HIS 58 N -3.33 3.15 -0.04 4.14 3.76 -0.88 -1.33 115.29 120.77 1i18 s HIS 58 Ca 0.05 1.43 -0.01 0.00 -0.15 0.00 0.00 55.06 56.37 1i18 s HIS 58 Cb 0.06 -2.89 0.03 0.00 1.11 0.00 0.00 32.58 30.90 1i18 s HIS 58 CO 0.64 -1.12 0.06 0.08 -0.85 0.00 0.00 174.74 173.56 1i18 s VAL 59 N -2.92 -0.10 -0.03 -0.90 1.01 0.22 0.08 120.40 117.75 1i18 s VAL 59 Ca 0.59 0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.72 1i18 s VAL 59 Cb -0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1i18 s VAL 59 CO 0.50 0.14 0.56 -0.55 0.00 0.00 0.00 175.10 175.75 1i18 s SER 60 N 1.77 6.90 0.27 3.32 0.15 0.10 -1.36 113.70 124.84 1i18 s SER 60 Ca -0.00 1.07 0.10 0.00 0.70 0.00 0.00 55.95 57.82 1i18 s SER 60 Cb -0.12 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.80 1i18 s SER 60 CO -0.03 0.09 -0.08 -0.36 1.20 0.00 0.00 173.24 174.06 1i18 s PHE 61 N -0.06 2.54 0.17 3.44 0.40 0.33 -0.14 117.98 124.66 1i18 s PHE 61 Ca 0.29 -0.26 -0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1i18 s PHE 61 Cb -0.17 -1.12 -0.06 0.00 0.51 0.00 0.00 43.02 42.17 1i18 s PHE 61 CO 0.15 0.66 0.46 0.16 0.70 0.00 0.00 175.22 177.35 1i18 s ASP 62 N -3.59 6.59 -0.23 1.36 -4.77 -1.03 -1.26 116.67 113.73 1i18 s ASP 62 Ca 0.31 0.79 -0.06 0.00 -3.30 0.00 0.00 52.55 50.28 1i18 s ASP 62 Cb -0.06 -2.17 0.11 0.00 -1.09 0.00 0.00 42.92 39.71 1i18 s ASP 62 CO 0.18 0.02 0.47 -0.76 0.70 0.00 0.00 175.17 175.78 1i18 s LEU 63 N -2.59 -0.80 0.29 2.11 1.43 0.40 -4.61 118.68 114.91 1i18 s LEU 63 Ca 0.43 0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.22 1i18 s LEU 63 Cb -0.12 1.57 -0.10 0.00 0.03 0.00 0.00 46.19 47.57 1i18 s LEU 63 CO 0.22 -0.24 1.22 -0.04 0.23 0.00 0.00 176.35 177.74 1i18 s MET 64 N 2.68 4.48 0.09 1.70 -1.94 -1.26 -1.57 119.30 123.48 1i18 s MET 64 Ca 0.01 2.02 -0.23 0.00 -1.71 0.00 0.00 55.69 55.79 1i18 s MET 64 Cb -0.13 -3.13 -0.14 0.00 2.01 0.00 0.00 34.83 33.43 1i18 s MET 64 CO -0.15 -0.03 1.74 -0.22 -0.01 0.00 0.00 175.02 176.35 1i18 h LYS 65 N 3.78 0.01 -0.69 2.03 1.63 -1.92 0.98 116.57 122.39 1i18 h LYS 65 Ca -0.48 -0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 1i18 h LYS 65 Cb 1.22 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.82 1i18 h LYS 65 CO 0.67 0.01 0.13 1.49 -3.45 0.00 0.00 179.45 178.30 1i18 h GLU 66 N 0.01 1.13 -0.58 1.90 4.81 -1.99 -0.49 114.58 119.38 1i18 h GLU 66 Ca 0.00 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1i18 h GLU 66 Cb 0.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1i18 h GLU 66 CO -0.00 1.02 0.38 1.15 -0.73 0.00 0.00 179.01 180.83 1i18 h THR 67 N 1.07 1.14 -0.27 0.32 2.02 -1.82 0.26 112.91 115.62 1i18 h THR 67 Ca 0.21 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1i18 h THR 67 Cb 0.42 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1i18 h THR 67 CO 0.01 0.14 0.12 0.25 0.37 0.00 0.00 175.52 176.41 1i18 h LEU 68 N 0.77 0.37 -0.43 2.58 5.85 0.25 0.43 115.31 125.13 1i18 h LEU 68 Ca 0.21 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.63 1i18 h LEU 68 Cb -0.07 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1i18 h LEU 68 CO -0.05 0.41 -0.42 -0.09 -0.34 0.00 0.00 178.44 177.96 1i18 h ARG 69 N 0.30 0.86 -0.58 1.25 2.43 -0.64 -2.98 114.38 115.03 1i18 h ARG 69 Ca 0.09 -0.47 -0.11 0.00 -0.81 0.00 0.00 59.98 58.69 1i18 h ARG 69 Cb 0.15 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1i18 h ARG 69 CO -0.01 1.11 -0.06 0.97 -1.51 0.00 0.00 179.97 180.46 1i18 h ILE 70 N 0.70 1.27 -3.40 1.20 2.10 -0.28 -3.43 117.51 115.66 1i18 h ILE 70 Ca 0.05 -1.23 -0.17 0.00 1.08 0.00 0.00 64.86 64.59 1i18 h ILE 70 Cb 1.00 0.89 0.05 0.00 -1.09 0.00 0.00 36.82 37.66 1i18 h ILE 70 CO 0.10 0.44 0.10 0.35 -1.08 0.00 0.00 178.15 178.06 1i18 n THR 71 N -4.16 0.00 -1.13 2.19 -2.24 0.15 -4.97 114.28 104.12 1i18 n THR 71 Ca 0.02 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.27 1i18 n THR 71 Cb 0.38 -1.50 0.27 0.00 -2.10 0.00 0.00 70.33 67.38 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 -3.14 4.19 -0.12 3.42 5.15 -1.26 -4.46 115.26 119.05 1i18 n ASN 72 Ca 0.06 -3.32 -0.13 0.00 -0.60 0.00 0.00 54.58 50.58 1i18 n ASN 72 Cb 0.22 -0.71 -0.02 0.00 -0.53 0.00 0.00 39.78 38.74 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 2.08 1.01 -1.32 1.20 3.38 -1.85 -2.93 115.31 116.89 1i18 h LEU 73 Ca 0.26 -0.47 0.07 0.00 0.09 0.00 0.00 57.88 57.82 1i18 h LEU 73 Cb 2.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 1i18 h LEU 73 CO 0.64 1.28 0.67 1.23 0.09 0.00 0.00 178.44 182.34 1i18 h GLY 74 N 0.76 0.00 2.00 0.83 0.00 -1.74 0.01 103.07 104.93 1i18 h GLY 74 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1i18 h GLY 74 CO 0.10 0.00 0.00 1.29 0.00 0.00 0.00 176.54 177.93 1i18 h ASP 75 N 0.00 0.00 -4.00 0.19 2.03 -1.83 -3.45 116.42 109.37 1i18 h ASP 75 Ca 0.11 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.87 1i18 h ASP 75 Cb 1.45 0.00 0.12 0.00 -0.83 0.00 0.00 39.33 40.07 1i18 h ASP 75 CO -0.00 0.00 0.71 -0.76 -1.03 0.00 0.00 179.24 178.16 1i18 s LEU 76 N -5.48 4.09 -0.00 0.15 1.43 -0.01 -5.02 118.68 113.83 1i18 s LEU 76 Ca 0.01 2.95 -0.00 0.00 -1.03 0.00 0.00 54.13 56.05 1i18 s LEU 76 Cb 0.09 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1i18 s LEU 76 CO 0.43 -1.23 0.00 -0.54 0.23 0.00 0.00 176.35 175.24 1i18 s LYS 77 N -2.49 -0.00 0.72 1.70 1.02 -1.26 -5.12 119.74 114.30 1i18 s LYS 77 Ca 0.62 0.02 -0.16 0.00 0.02 0.00 0.00 55.97 56.47 1i18 s LYS 77 Cb -0.44 -0.02 0.03 0.00 -0.52 0.00 0.00 37.83 36.88 1i18 s LYS 77 CO 0.57 -0.01 1.24 0.08 -0.92 0.00 0.00 175.35 176.31 1i18 s VAL 78 N 0.08 2.13 0.00 3.17 1.01 -1.26 -2.10 120.40 123.43 1i18 s VAL 78 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1i18 s VAL 78 Cb -0.01 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1i18 s VAL 78 CO -0.00 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1i18 n GLY 79 N 0.62 2.44 3.99 4.51 0.00 -0.20 -4.98 105.19 111.57 1i18 n GLY 79 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.04 5.48 0.33 1.61 -1.08 -0.89 -4.87 116.67 115.21 1i18 s ASP 80 Ca 0.00 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 51.95 1i18 s ASP 80 Cb 0.00 -0.84 -0.05 0.00 -1.46 0.00 0.00 42.92 40.57 1i18 s ASP 80 CO 0.00 -0.94 0.00 0.26 0.52 0.00 0.00 175.17 175.01 1i18 s TRP 81 N -2.56 2.55 0.03 -5.34 0.52 -1.26 -0.19 118.94 112.68 1i18 s TRP 81 Ca 0.55 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 56.30 1i18 s TRP 81 Cb -0.10 -1.45 -0.02 0.00 -1.15 0.00 0.00 33.47 30.75 1i18 s TRP 81 CO 0.36 0.50 -0.14 0.54 0.02 0.00 0.00 176.95 178.22 1i18 s VAL 82 N -2.50 1.14 -0.49 4.03 0.11 0.42 -4.87 120.40 118.24 1i18 s VAL 82 Ca 0.34 -0.92 -0.28 0.00 -2.93 0.00 0.00 61.98 58.20 1i18 s VAL 82 Cb -0.01 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1i18 s VAL 82 CO 0.19 0.08 1.71 0.20 -3.33 0.00 0.00 175.10 173.96 1i18 s ASN 83 N -0.96 5.74 -0.08 3.54 -0.87 -1.26 0.77 114.94 121.82 1i18 s ASN 83 Ca 0.03 0.70 -0.01 0.00 -1.57 0.00 0.00 52.86 52.01 1i18 s ASN 83 Cb -0.07 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.59 1i18 s ASN 83 CO 0.01 -1.94 -0.04 0.68 -2.57 0.00 0.00 177.10 173.25 1i18 s VAL 84 N 7.42 3.97 0.02 1.60 -7.23 0.17 0.31 120.40 126.66 1i18 s VAL 84 Ca 0.68 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1i18 s VAL 84 Cb -0.16 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 1i18 s VAL 84 CO 0.27 0.59 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.89 1i18 s GLU 85 N -0.71 0.42 -0.04 4.82 2.12 -0.83 -2.33 118.70 122.14 1i18 s GLU 85 Ca 0.11 -0.54 -0.25 0.00 0.36 0.00 0.00 54.97 54.65 1i18 s GLU 85 Cb -0.11 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 1i18 s GLU 85 CO 0.02 0.04 0.76 0.50 -0.54 0.00 0.00 175.26 176.03 1i18 s ARG 86 N -1.11 4.47 0.11 4.30 3.52 -1.26 -1.62 118.95 127.36 1i18 s ARG 86 Ca -0.08 1.00 0.09 0.00 -0.13 0.00 0.00 55.73 56.61 1i18 s ARG 86 Cb -0.07 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 1i18 s ARG 86 CO -0.00 0.08 -0.24 0.00 -0.81 0.00 0.00 175.30 174.33 1i18 s ALA 87 N 0.71 2.08 -0.07 6.12 0.00 0.95 -4.94 121.76 126.62 1i18 s ALA 87 Ca 0.40 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1i18 s ALA 87 Cb -0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1i18 s ALA 87 CO 0.20 0.45 -0.15 0.00 0.00 0.00 0.00 175.76 176.27 1i18 s ALA 88 N -1.09 2.60 0.25 0.00 0.00 -1.26 -2.88 121.76 119.38 1i18 s ALA 88 Ca 0.10 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1i18 s ALA 88 Cb -0.10 -1.00 0.26 0.00 0.00 0.00 0.00 23.12 22.27 1i18 s ALA 88 CO 0.05 0.46 1.93 0.87 0.00 0.00 0.00 175.76 179.07 1i18 h LYS 89 N 5.77 1.32 -3.58 0.00 1.79 -1.96 -3.44 116.57 116.47 1i18 h LYS 89 Ca -0.40 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 57.88 1i18 h LYS 89 Cb 1.17 -0.30 -0.17 0.00 -1.58 0.00 0.00 32.23 31.35 1i18 h LYS 89 CO 0.51 0.88 -0.41 -0.59 -1.08 0.00 0.00 179.45 178.76 1i18 s PHE 90 N -6.12 0.07 0.02 -1.35 -0.71 -1.26 -5.17 117.98 103.46 1i18 s PHE 90 Ca -0.13 -0.29 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 1i18 s PHE 90 Cb 0.18 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 1i18 s PHE 90 CO 0.82 -0.42 -0.03 -1.12 -1.34 0.00 0.00 175.22 173.13 1i18 s SER 91 N -2.06 0.24 0.17 1.98 0.01 -1.26 -5.04 113.70 107.74 1i18 s SER 91 Ca -0.05 -0.50 -0.12 0.00 1.31 0.00 0.00 55.95 56.58 1i18 s SER 91 Cb -0.01 0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.39 1i18 s SER 91 CO -0.04 -0.30 1.76 0.44 0.41 0.00 0.00 173.24 175.51 1i18 h ASP 92 N 4.65 0.77 -0.09 2.44 3.32 -2.02 -3.39 116.42 122.10 1i18 h ASP 92 Ca -0.32 -0.13 -0.24 0.00 0.02 0.00 0.00 57.03 56.36 1i18 h ASP 92 Cb 1.21 -0.20 -0.16 0.00 0.22 0.00 0.00 39.33 40.40 1i18 h ASP 92 CO 0.41 0.68 -0.45 -1.84 -1.72 0.00 0.00 179.24 176.33 1i18 n GLU 93 N -4.53 1.09 -1.69 3.56 0.28 -1.26 -4.94 120.64 113.14 1i18 n GLU 93 Ca 0.04 -1.96 -0.14 0.00 -0.16 0.00 0.00 57.16 54.93 1i18 n GLU 93 Cb 0.12 -0.66 -0.04 0.00 1.43 0.00 0.00 31.44 32.29 1i18 n GLU 93 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1i18 n ILE 94 N -0.04 -0.19 -0.47 3.84 2.08 -1.26 -4.73 119.36 118.60 1i18 n ILE 94 Ca 0.03 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.20 1i18 n ILE 94 Cb 0.76 -1.50 -0.01 0.00 -0.75 0.00 0.00 39.64 38.14 1i18 n ILE 94 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1i18 n GLY 95 N -0.42 2.57 3.03 7.39 0.00 -1.26 -4.69 105.19 111.81 1i18 n GLY 95 Ca -0.15 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1i18 n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i18 s GLY 96 N 4.01 -0.13 0.00 -0.02 0.00 -1.26 -5.05 107.32 104.87 1i18 s GLY 96 Ca 0.25 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1i18 s GLY 96 CO -0.02 1.83 0.46 -2.39 0.00 0.00 0.00 173.10 172.99