#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nb9 n HIS 10 N 0.00 2.26 -3.99 0.00 -0.00 -1.26 -4.93 115.22 107.29 1nb9 n HIS 10 Ca 0.00 -1.68 -0.35 0.00 -0.00 0.00 0.00 57.72 55.69 1nb9 n HIS 10 Cb 0.00 -0.75 -0.06 0.00 -0.00 0.00 0.00 29.99 29.18 1nb9 n HIS 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1nb9 s LEU 11 N -3.24 4.19 0.37 2.41 1.43 -1.26 -3.38 118.68 119.20 1nb9 s LEU 11 Ca 0.52 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.72 1nb9 s LEU 11 Cb 0.45 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 1nb9 s LEU 11 CO 0.07 0.35 1.06 -2.16 0.23 0.00 0.00 176.35 175.90 1nb9 s PRO 12 N -1.31 4.26 -0.16 1.29 0.04 -1.26 -5.10 135.00 132.76 1nb9 s PRO 12 Ca 0.19 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1nb9 s PRO 12 Cb -0.12 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1nb9 s PRO 12 CO 0.08 -0.07 -0.07 -0.47 0.04 0.00 0.00 177.00 176.52 1nb9 s TYR 13 N -1.55 2.94 -0.13 0.56 5.04 -0.45 -4.93 117.35 118.83 1nb9 s TYR 13 Ca 0.55 -0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 54.61 1nb9 s TYR 13 Cb -0.24 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 1nb9 s TYR 13 CO 0.31 -0.21 -0.10 -0.06 -1.34 0.00 0.00 175.55 174.14 1nb9 s PHE 14 N 0.62 2.87 0.08 4.97 0.08 -1.26 -0.71 117.98 124.63 1nb9 s PHE 14 Ca -0.04 -0.50 -0.13 0.00 0.12 0.00 0.00 56.93 56.37 1nb9 s PHE 14 Cb -0.15 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 1nb9 s PHE 14 CO 0.03 -0.12 0.31 0.00 -0.10 0.00 0.00 175.22 175.34 1nb9 s ARG 16 N -3.34 0.21 0.10 0.00 0.52 -1.26 -0.94 118.95 114.25 1nb9 s ARG 16 Ca 0.00 -0.23 -0.25 0.00 -0.52 0.00 0.00 55.73 54.73 1nb9 s ARG 16 Cb 0.02 -0.10 0.08 0.00 0.52 0.00 0.00 34.95 35.46 1nb9 s ARG 16 CO -0.08 0.02 0.66 0.20 0.02 0.00 0.00 175.30 176.12 1nb9 s GLY 17 N -0.45 -0.58 0.30 -3.53 0.00 -0.71 -4.97 107.32 97.38 1nb9 s GLY 17 Ca -0.03 0.72 -0.29 0.00 0.00 0.00 0.00 44.72 45.11 1nb9 s GLY 17 CO -0.00 0.31 1.32 1.20 0.00 0.00 0.00 173.10 175.93 1nb9 s GLN 18 N -3.25 4.35 -0.19 2.90 -0.21 -1.26 -0.89 119.66 121.11 1nb9 s GLN 18 Ca -0.00 2.20 -0.28 0.00 0.02 0.00 0.00 55.36 57.30 1nb9 s GLN 18 Cb -0.01 -3.10 -0.00 0.00 1.00 0.00 0.00 33.01 30.90 1nb9 s GLN 18 CO -0.09 -0.22 0.96 0.08 -2.12 0.00 0.00 175.29 173.89 1nb9 s VAL 19 N -0.80 4.77 0.18 1.09 1.01 -0.33 -3.80 120.40 122.52 1nb9 s VAL 19 Ca 0.51 1.88 0.08 0.00 0.00 0.00 0.00 61.98 64.45 1nb9 s VAL 19 Cb -0.39 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1nb9 s VAL 19 CO 0.49 -0.08 -0.17 0.68 0.00 0.00 0.00 175.10 176.02 1nb9 s VAL 20 N 2.69 1.77 0.60 2.92 -7.23 -0.41 -0.52 120.40 120.22 1nb9 s VAL 20 Ca 0.42 -2.02 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 1nb9 s VAL 20 Cb -0.16 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 1nb9 s VAL 20 CO 0.10 -0.43 1.05 -0.13 -0.31 0.00 0.00 175.10 175.38 1nb9 s ARG 21 N -3.11 3.31 0.00 4.82 0.52 -1.26 -3.80 118.95 119.43 1nb9 s ARG 21 Ca 0.18 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1nb9 s ARG 21 Cb -0.04 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1nb9 s ARG 21 CO 0.07 -0.81 0.00 0.41 0.02 0.00 0.00 175.30 174.99 1nb9 n GLY 22 N -1.23 4.88 3.44 -3.53 0.00 -1.26 -4.99 105.19 102.50 1nb9 n GLY 22 Ca 0.08 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 1nb9 n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nb9 n PHE 23 N -0.14 0.91 -4.92 1.61 3.72 -1.26 -4.99 117.46 112.40 1nb9 n PHE 23 Ca 0.00 -2.44 0.00 0.00 -0.05 0.00 0.00 57.45 54.96 1nb9 n PHE 23 Cb 0.00 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 1nb9 n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nb9 n GLY 24 N -0.80 0.82 3.80 1.37 0.00 -1.26 -4.55 105.19 104.57 1nb9 n GLY 24 Ca -0.17 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1nb9 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nb9 s ARG 25 N 0.00 3.94 0.52 1.61 0.52 -1.26 -5.05 118.95 119.23 1nb9 s ARG 25 Ca 0.00 0.13 -0.21 0.00 -0.52 0.00 0.00 55.73 55.13 1nb9 s ARG 25 Cb 0.00 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.11 1nb9 s ARG 25 CO 0.00 0.52 1.20 0.20 0.02 0.00 0.00 175.30 177.24 1nb9 s GLY 26 N -0.39 2.76 0.00 -3.53 0.00 -1.26 -4.90 107.32 99.99 1nb9 s GLY 26 Ca 0.18 1.00 0.23 0.00 0.00 0.00 0.00 44.72 46.13 1nb9 s GLY 26 CO 0.07 1.43 1.77 -1.14 0.00 0.00 0.00 173.10 175.22 1nb9 n SER 27 N -1.02 0.00 -0.38 1.64 3.41 -1.26 -1.92 113.62 114.09 1nb9 n SER 27 Ca 0.10 -0.46 0.36 0.00 -0.26 0.00 0.00 58.87 58.61 1nb9 n SER 27 Cb 0.49 -0.11 0.72 0.00 -0.26 0.00 0.00 64.21 65.04 1nb9 n SER 27 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nb9 h LYS 28 N 0.00 0.07 -0.00 4.33 1.57 -1.91 -0.29 116.57 120.34 1nb9 h LYS 28 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nb9 h LYS 28 Cb 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1nb9 h LYS 28 CO 0.00 0.04 0.00 -0.56 -0.57 0.00 0.00 179.45 178.36 1nb9 h GLN 29 N 0.07 0.00 -0.03 3.15 3.07 -1.75 -0.25 115.11 119.37 1nb9 h GLN 29 Ca 0.64 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.38 1nb9 h GLN 29 Cb 2.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.93 1nb9 h GLN 29 CO -0.09 0.00 -0.06 1.28 0.09 0.00 0.00 178.83 180.05 1nb9 n LEU 30 N -3.72 2.59 -0.02 0.06 4.77 -0.16 -4.92 117.00 115.60 1nb9 n LEU 30 Ca -0.03 -0.87 -0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1nb9 n LEU 30 Cb 0.08 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1nb9 n LEU 30 CO 0.26 0.44 -0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1nb9 n GLY 31 N 1.33 0.46 2.39 -0.72 0.00 -0.11 -4.98 105.19 103.56 1nb9 n GLY 31 Ca 0.14 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 1nb9 n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nb9 n ILE 32 N -2.98 0.79 -1.88 -0.61 5.41 -0.94 -5.00 119.36 114.15 1nb9 n ILE 32 Ca -0.00 -4.55 -0.40 0.00 1.00 0.00 0.00 62.75 58.79 1nb9 n ILE 32 Cb 0.02 -2.01 0.01 0.00 -0.71 0.00 0.00 39.64 36.94 1nb9 n ILE 32 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1nb9 s PRO 33 N -1.63 3.87 -0.14 0.38 0.04 -1.25 -4.24 135.00 132.02 1nb9 s PRO 33 Ca 0.36 2.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.76 1nb9 s PRO 33 Cb 0.12 -2.76 0.03 0.00 0.04 0.00 0.00 34.50 31.94 1nb9 s PRO 33 CO -0.09 -0.65 -0.08 0.95 0.04 0.00 0.00 177.00 177.18 1nb9 s THR 34 N -1.20 1.15 0.07 1.26 -4.23 -1.26 -4.29 115.64 107.14 1nb9 s THR 34 Ca 0.58 -0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 1nb9 s THR 34 Cb -0.43 -1.21 -0.06 0.00 1.34 0.00 0.00 72.50 72.14 1nb9 s THR 34 CO 0.55 0.29 0.65 0.00 -0.54 0.00 0.00 174.62 175.57 1nb9 s ALA 35 N 1.64 3.50 0.12 3.99 0.00 0.69 -4.73 121.76 126.97 1nb9 s ALA 35 Ca 0.03 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1nb9 s ALA 35 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1nb9 s ALA 35 CO -0.08 0.26 0.19 -0.80 0.00 0.00 0.00 175.76 175.32 1nb9 s ASN 36 N -0.69 5.95 0.33 0.00 0.01 -1.25 -1.17 114.94 118.12 1nb9 s ASN 36 Ca 0.32 0.07 0.08 0.00 -0.71 0.00 0.00 52.86 52.62 1nb9 s ASN 36 Cb -0.20 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.73 1nb9 s ASN 36 CO 0.21 0.10 0.24 -0.36 -1.51 0.00 0.00 177.10 175.78 1nb9 s PHE 37 N -1.63 2.86 0.69 2.20 0.08 -1.26 -1.29 117.98 119.62 1nb9 s PHE 37 Ca 0.33 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.90 1nb9 s PHE 37 Cb -0.11 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1nb9 s PHE 37 CO 0.26 0.25 1.21 -2.30 -0.10 0.00 0.00 175.22 174.54 1nb9 n PRO 38 N -1.29 0.83 0.26 0.24 -0.02 -1.25 -4.84 135.00 128.92 1nb9 n PRO 38 Ca -0.03 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 1nb9 n PRO 38 Cb 0.60 -2.44 0.83 0.00 -0.02 0.00 0.00 33.50 32.46 1nb9 n PRO 38 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1nb9 h GLU 39 N 0.13 0.00 -0.98 -0.52 4.11 -1.98 -1.57 114.58 113.77 1nb9 h GLU 39 Ca -0.49 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.11 1nb9 h GLU 39 Cb 1.33 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 1nb9 h GLU 39 CO 0.51 0.00 0.61 -0.56 0.07 0.00 0.00 179.01 179.64 1nb9 h GLN 40 N 0.00 0.72 -0.06 1.06 3.07 -1.98 0.21 115.11 118.13 1nb9 h GLN 40 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1nb9 h GLN 40 Cb 0.15 -0.16 -0.00 0.00 0.08 0.00 0.00 27.48 27.55 1nb9 h GLN 40 CO -0.00 0.48 -0.07 0.28 0.09 0.00 0.00 178.83 179.60 1nb9 h VAL 41 N 0.74 1.39 -0.80 1.86 2.07 -1.63 -3.04 116.25 116.85 1nb9 h VAL 41 Ca 0.53 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1nb9 h VAL 41 Cb 0.85 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 1nb9 h VAL 41 CO -0.31 0.35 0.47 0.58 0.02 0.00 0.00 177.57 178.69 1nb9 h VAL 42 N -0.30 1.23 0.00 2.57 2.07 -1.45 -2.01 116.25 118.36 1nb9 h VAL 42 Ca 0.01 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1nb9 h VAL 42 Cb 0.60 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1nb9 h VAL 42 CO 0.02 0.24 0.00 0.44 0.02 0.00 0.00 177.57 178.29 1nb9 h ASP 43 N 1.10 0.00 -0.13 0.57 3.32 -0.59 -1.49 116.42 119.20 1nb9 h ASP 43 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1nb9 h ASP 43 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1nb9 h ASP 43 CO -0.05 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.06 1nb9 n ASN 44 N -2.52 2.86 -4.72 6.45 3.02 -0.76 -4.90 115.26 114.69 1nb9 n ASN 44 Ca -0.01 -1.92 -0.43 0.00 -0.03 0.00 0.00 54.58 52.19 1nb9 n ASN 44 Cb 0.10 -0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 1nb9 n ASN 44 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nb9 n LEU 45 N 1.18 3.86 -4.70 3.41 4.77 -0.56 -4.96 117.00 120.00 1nb9 n LEU 45 Ca 0.16 1.15 -0.41 0.00 -0.03 0.00 0.00 56.01 56.88 1nb9 n LEU 45 Cb 0.56 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.13 1nb9 n LEU 45 CO 0.15 -0.13 0.87 -2.65 -1.33 0.00 0.00 177.39 174.31 1nb9 n PRO 46 N 1.95 1.93 -0.05 3.23 -0.02 -1.26 -4.89 135.00 135.89 1nb9 n PRO 46 Ca 0.09 0.69 0.24 0.00 -2.02 0.00 0.00 63.50 62.50 1nb9 n PRO 46 Cb 0.35 -2.36 0.72 0.00 -0.02 0.00 0.00 33.50 32.19 1nb9 n PRO 46 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nb9 h ALA 47 N 2.13 2.54 0.00 3.55 0.00 -1.97 -2.37 119.26 123.14 1nb9 h ALA 47 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nb9 h ALA 47 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1nb9 h ALA 47 CO 0.60 -0.87 0.00 -0.40 0.00 0.00 0.00 179.25 178.58 1nb9 n ASP 48 N -4.10 0.67 -4.57 0.00 5.68 -1.26 -4.04 116.55 108.93 1nb9 n ASP 48 Ca 0.13 0.60 -0.39 0.00 -0.50 0.00 0.00 54.79 54.63 1nb9 n ASP 48 Cb 0.78 -0.77 -0.02 0.00 -1.14 0.00 0.00 41.12 39.98 1nb9 n ASP 48 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1nb9 s ILE 49 N -3.16 3.94 1.10 2.12 1.01 -0.89 -4.89 121.20 120.42 1nb9 s ILE 49 Ca 0.08 -1.42 -0.12 0.00 0.00 0.00 0.00 60.65 59.19 1nb9 s ILE 49 Cb 0.12 -5.00 0.25 0.00 0.01 0.00 0.00 42.46 37.84 1nb9 s ILE 49 CO 0.51 -1.77 1.06 -0.94 0.00 0.00 0.00 174.94 173.79 1nb9 s SER 50 N 4.98 1.51 0.78 3.58 1.04 -1.26 -4.95 113.70 119.38 1nb9 s SER 50 Ca 0.56 1.65 -0.12 0.00 0.48 0.00 0.00 55.95 58.52 1nb9 s SER 50 Cb 0.02 -2.35 0.07 0.00 0.10 0.00 0.00 66.02 63.86 1nb9 s SER 50 CO 0.05 -3.90 1.14 0.42 0.98 0.00 0.00 173.24 171.93 1nb9 s THR 51 N -2.53 2.70 -5.00 2.02 -4.23 -1.26 -4.89 115.64 102.45 1nb9 s THR 51 Ca 0.68 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.46 1nb9 s THR 51 Cb -0.24 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1nb9 s THR 51 CO 0.63 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1nb9 n GLY 52 N -0.30 0.98 3.41 3.99 0.00 0.24 -4.60 105.19 108.92 1nb9 n GLY 52 Ca 0.11 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1nb9 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nb9 s ILE 53 N -2.32 3.51 0.38 -0.61 -1.09 0.72 -0.54 121.20 121.25 1nb9 s ILE 53 Ca 0.00 -0.48 0.06 0.00 -2.23 0.00 0.00 60.65 58.00 1nb9 s ILE 53 Cb 0.00 -2.53 -0.07 0.00 -1.58 0.00 0.00 42.46 38.27 1nb9 s ILE 53 CO 0.00 0.48 0.01 -0.31 -1.23 0.00 0.00 174.94 173.89 1nb9 s TYR 54 N 0.66 2.34 0.12 3.97 1.51 0.50 -0.05 117.35 126.39 1nb9 s TYR 54 Ca -0.04 -0.73 -0.01 0.00 -1.01 0.00 0.00 57.07 55.28 1nb9 s TYR 54 Cb -0.15 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 1nb9 s TYR 54 CO 0.02 0.34 0.03 1.52 -1.11 0.00 0.00 175.55 176.35 1nb9 s TYR 55 N -2.87 0.85 -1.79 2.71 1.13 -0.29 -0.80 117.35 116.30 1nb9 s TYR 55 Ca 0.35 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 1nb9 s TYR 55 Cb 0.09 -0.50 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1nb9 s TYR 55 CO 0.17 -0.44 0.00 0.41 -2.51 0.00 0.00 175.55 173.18 1nb9 n GLY 56 N -0.08 -0.71 3.22 5.49 0.00 -0.63 -0.45 105.19 112.04 1nb9 n GLY 56 Ca -0.07 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 1nb9 n GLY 56 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nb9 s TRP 57 N -4.00 1.61 -0.01 1.61 0.52 -0.18 -1.31 118.94 117.18 1nb9 s TRP 57 Ca 0.00 -0.38 -0.08 0.00 0.02 0.00 0.00 56.10 55.66 1nb9 s TRP 57 Cb 0.00 -0.94 0.01 0.00 -1.15 0.00 0.00 33.47 31.39 1nb9 s TRP 57 CO 0.00 0.10 0.17 0.00 0.02 0.00 0.00 176.95 177.24 1nb9 s ALA 58 N -0.91 -0.41 0.10 0.98 0.00 0.38 -0.73 121.76 121.17 1nb9 s ALA 58 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1nb9 s ALA 58 Cb -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1nb9 s ALA 58 CO 0.02 -0.20 -0.07 -1.54 0.00 0.00 0.00 175.76 173.98 1nb9 s SER 59 N -1.14 1.16 -0.17 0.00 1.04 -0.38 -0.31 113.70 113.89 1nb9 s SER 59 Ca -0.12 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 1nb9 s SER 59 Cb -0.06 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 1nb9 s SER 59 CO 0.02 -0.44 -0.13 -0.69 0.98 0.00 0.00 173.24 172.98 1nb9 s VAL 60 N -3.46 2.77 0.00 5.02 1.01 -1.26 -0.43 120.40 124.05 1nb9 s VAL 60 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1nb9 s VAL 60 Cb 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1nb9 s VAL 60 CO -0.04 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1nb9 n GLY 61 N 4.29 3.22 1.36 4.51 0.00 0.77 -0.72 105.19 118.62 1nb9 n GLY 61 Ca -0.19 0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1nb9 n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nb9 n SER 62 N 4.13 4.00 -4.01 1.61 3.41 -1.25 -4.64 113.62 116.87 1nb9 n SER 62 Ca 0.00 -2.32 -0.30 0.00 -0.26 0.00 0.00 58.87 55.99 1nb9 n SER 62 Cb 0.00 -0.52 0.23 0.00 -0.26 0.00 0.00 64.21 63.66 1nb9 n SER 62 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nb9 s GLY 63 N -0.85 1.57 0.77 5.00 0.00 0.11 -4.54 107.32 109.37 1nb9 s GLY 63 Ca 0.43 -0.81 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 1nb9 s GLY 63 CO 0.22 0.02 1.08 0.99 0.00 0.00 0.00 173.10 175.41 1nb9 s ASP 64 N -3.75 4.61 -0.09 1.64 1.01 -1.26 -4.62 116.67 114.21 1nb9 s ASP 64 Ca 0.70 1.66 -0.19 0.00 0.71 0.00 0.00 52.55 55.42 1nb9 s ASP 64 Cb -0.12 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1nb9 s ASP 64 CO 0.57 -1.95 0.53 -0.69 0.21 0.00 0.00 175.17 173.84 1nb9 s VAL 65 N -2.98 5.12 0.16 -1.27 1.01 -1.26 -4.39 120.40 116.79 1nb9 s VAL 65 Ca 0.61 1.07 0.06 0.00 0.00 0.00 0.00 61.98 63.71 1nb9 s VAL 65 Cb -0.16 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1nb9 s VAL 65 CO 0.56 0.34 -0.13 -1.00 0.00 0.00 0.00 175.10 174.87 1nb9 s HIS 66 N 0.46 1.46 0.64 5.22 3.76 0.57 -4.93 115.29 122.48 1nb9 s HIS 66 Ca 0.28 -0.64 -0.16 0.00 -0.15 0.00 0.00 55.06 54.39 1nb9 s HIS 66 Cb -0.16 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 1nb9 s HIS 66 CO 0.13 0.20 1.15 0.15 -0.85 0.00 0.00 174.74 175.52 1nb9 s LYS 67 N -3.47 2.77 0.16 1.40 1.02 -1.26 -0.47 119.74 119.88 1nb9 s LYS 67 Ca 0.17 1.59 -0.17 0.00 0.02 0.00 0.00 55.97 57.58 1nb9 s LYS 67 Cb -0.00 -1.93 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1nb9 s LYS 67 CO 0.03 -1.31 0.46 0.00 -0.92 0.00 0.00 175.35 173.61 1nb9 s MET 68 N -3.78 1.21 0.10 1.68 0.23 -0.42 -0.62 119.30 117.70 1nb9 s MET 68 Ca 0.71 -0.76 0.09 0.00 -1.03 0.00 0.00 55.69 54.71 1nb9 s MET 68 Cb -0.25 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1nb9 s MET 68 CO 0.38 -0.49 -0.24 0.14 -2.03 0.00 0.00 175.02 172.78 1nb9 s VAL 69 N -3.83 1.99 -0.05 5.16 -7.23 -0.45 -1.61 120.40 114.39 1nb9 s VAL 69 Ca 0.05 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.68 1nb9 s VAL 69 Cb 0.01 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1nb9 s VAL 69 CO -0.08 0.08 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.94 1nb9 s VAL 70 N -1.04 1.32 -0.24 1.32 1.01 0.02 -0.86 120.40 121.93 1nb9 s VAL 70 Ca 0.10 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1nb9 s VAL 70 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1nb9 s VAL 70 CO 0.04 0.39 0.09 -0.55 0.00 0.00 0.00 175.10 175.07 1nb9 s SER 71 N 0.17 5.40 -0.21 3.32 0.15 -0.00 -0.37 113.70 122.16 1nb9 s SER 71 Ca -0.06 -0.11 -0.05 0.00 0.70 0.00 0.00 55.95 56.42 1nb9 s SER 71 Cb -0.12 -1.97 -0.02 0.00 -1.71 0.00 0.00 66.02 62.20 1nb9 s SER 71 CO 0.02 0.00 0.01 -0.63 1.20 0.00 0.00 173.24 173.85 1nb9 s ILE 72 N 1.41 3.98 0.28 6.45 1.01 0.30 -1.80 121.20 132.83 1nb9 s ILE 72 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1nb9 s ILE 72 Cb -0.15 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 1nb9 s ILE 72 CO 0.05 0.41 0.15 0.61 0.00 0.00 0.00 174.94 176.15 1nb9 n GLY 73 N 4.44 3.35 3.77 6.18 0.00 -0.58 -0.59 105.19 121.77 1nb9 n GLY 73 Ca -0.17 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 1nb9 n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1nb9 s TRP 74 N -2.82 3.61 -0.41 1.61 0.52 -1.26 -0.43 118.94 119.76 1nb9 s TRP 74 Ca 0.21 0.92 -0.26 0.00 0.02 0.00 0.00 56.10 56.99 1nb9 s TRP 74 Cb 0.01 -2.42 0.02 0.00 -1.15 0.00 0.00 33.47 29.93 1nb9 s TRP 74 CO 0.15 0.39 0.95 1.21 0.02 0.00 0.00 176.95 179.67 1nb9 s ASN 75 N -0.17 6.62 0.59 2.95 3.84 0.48 -4.71 114.94 124.53 1nb9 s ASN 75 Ca 0.24 0.42 0.29 0.00 0.21 0.00 0.00 52.86 54.02 1nb9 s ASN 75 Cb -0.16 -2.47 1.73 0.00 -0.55 0.00 0.00 41.25 39.80 1nb9 s ASN 75 CO 0.11 -0.96 2.17 -0.65 -2.79 0.00 0.00 177.10 174.98 1nb9 h PRO 76 N 8.75 0.00 0.00 0.43 0.11 -1.97 -3.36 132.00 135.97 1nb9 h PRO 76 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1nb9 h PRO 76 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nb9 h PRO 76 CO 1.01 0.00 -1.37 0.66 -0.21 0.00 0.00 178.00 178.09 1nb9 n TYR 77 N -3.83 0.00 -4.09 0.65 4.01 -1.26 -4.93 117.16 107.71 1nb9 n TYR 77 Ca -0.01 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 1nb9 n TYR 77 Cb 0.21 -0.20 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 1nb9 n TYR 77 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1nb9 s TYR 78 N -3.13 3.18 1.03 -0.72 2.02 -1.26 -5.11 117.35 113.36 1nb9 s TYR 78 Ca 0.01 0.09 -0.13 0.00 -0.37 0.00 0.00 57.07 56.68 1nb9 s TYR 78 Cb 0.14 -1.64 0.21 0.00 -0.40 0.00 0.00 41.96 40.27 1nb9 s TYR 78 CO 0.85 0.52 1.09 -1.59 -1.57 0.00 0.00 175.55 174.84 1nb9 s LYS 79 N -2.19 0.16 6.33 -0.62 -2.85 -1.26 -4.53 119.74 114.78 1nb9 s LYS 79 Ca 0.27 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 1nb9 s LYS 79 Cb -0.12 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.94 1nb9 s LYS 79 CO 0.19 -2.90 0.00 0.09 0.10 0.00 0.00 175.35 172.83 1nb9 n ASN 80 N -4.29 0.00 -3.15 0.03 3.02 -1.26 -4.49 115.26 105.13 1nb9 n ASN 80 Ca 0.05 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.40 1nb9 n ASN 80 Cb 0.57 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.69 1nb9 n ASN 80 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1nb9 n THR 81 N 0.00 -0.74 -3.76 3.41 -1.04 -1.26 -5.11 114.28 105.78 1nb9 n THR 81 Ca 0.00 -2.89 -0.28 0.00 -2.04 0.00 0.00 64.05 58.84 1nb9 n THR 81 Cb 0.00 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 67.59 1nb9 n THR 81 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1nb9 s LYS 82 N -0.01 3.51 0.43 -2.82 -0.14 -1.26 -4.99 119.74 114.45 1nb9 s LYS 82 Ca 0.33 -0.37 0.05 0.00 -1.36 0.00 0.00 55.97 54.62 1nb9 s LYS 82 Cb 0.08 -2.88 0.01 0.00 -1.68 0.00 0.00 37.83 33.36 1nb9 s LYS 82 CO -0.15 0.45 0.60 0.15 -0.76 0.00 0.00 175.35 175.63 1nb9 s LYS 83 N -3.16 2.90 0.17 1.68 1.02 -1.26 -0.39 119.74 120.71 1nb9 s LYS 83 Ca 0.38 -0.93 0.08 0.00 0.02 0.00 0.00 55.97 55.52 1nb9 s LYS 83 Cb -0.11 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1nb9 s LYS 83 CO 0.28 -0.26 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.16 1nb9 s SER 84 N -4.29 2.62 -0.08 2.83 0.01 0.42 -4.49 113.70 110.74 1nb9 s SER 84 Ca 0.51 -0.89 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 1nb9 s SER 84 Cb -0.10 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1nb9 s SER 84 CO 0.34 -0.07 0.19 -0.32 0.41 0.00 0.00 173.24 173.79 1nb9 s MET 85 N -2.95 0.18 -0.03 12.44 1.75 -1.26 -1.52 119.30 127.91 1nb9 s MET 85 Ca 0.17 0.35 -0.05 0.00 -1.25 0.00 0.00 55.69 54.90 1nb9 s MET 85 Cb -0.05 -0.02 0.01 0.00 2.84 0.00 0.00 34.83 37.61 1nb9 s MET 85 CO 0.06 -0.09 0.13 -1.83 -0.65 0.00 0.00 175.02 172.64 1nb9 s GLU 86 N 0.65 0.27 -0.11 4.11 -1.05 -0.75 -4.35 118.70 117.48 1nb9 s GLU 86 Ca -0.05 -0.05 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 1nb9 s GLU 86 Cb -0.06 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1nb9 s GLU 86 CO -0.03 -0.05 -0.21 0.99 0.95 0.00 0.00 175.26 176.91 1nb9 s THR 87 N -0.49 1.86 -0.22 1.83 2.01 -0.32 -0.82 115.64 119.49 1nb9 s THR 87 Ca -0.06 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 1nb9 s THR 87 Cb -0.04 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1nb9 s THR 87 CO 0.01 0.51 0.04 -2.28 -0.69 0.00 0.00 174.62 172.21 1nb9 s HIS 88 N 0.59 3.07 -0.08 4.92 2.46 -0.04 -0.22 115.29 126.00 1nb9 s HIS 88 Ca -0.14 -0.42 -0.16 0.00 0.47 0.00 0.00 55.06 54.81 1nb9 s HIS 88 Cb -0.17 -2.16 -0.05 0.00 -0.13 0.00 0.00 32.58 30.08 1nb9 s HIS 88 CO 0.04 -0.28 0.42 0.42 -2.47 0.00 0.00 174.74 172.87 1nb9 s ILE 89 N 1.27 5.14 -1.43 0.89 1.01 -1.26 -1.33 121.20 125.48 1nb9 s ILE 89 Ca 0.04 0.85 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 1nb9 s ILE 89 Cb -0.15 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.64 1nb9 s ILE 89 CO 0.02 0.44 2.18 0.23 0.00 0.00 0.00 174.94 177.81 1nb9 n MET 90 N 2.93 2.98 -3.63 2.79 2.81 0.21 -4.79 117.12 120.42 1nb9 n MET 90 Ca -0.10 -2.74 -0.12 0.00 -1.81 0.00 0.00 57.70 52.92 1nb9 n MET 90 Cb 0.52 -3.23 -0.07 0.00 -0.71 0.00 0.00 33.22 29.73 1nb9 n MET 90 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1nb9 s HIS 91 N 2.75 -0.84 -0.36 2.03 5.04 -1.26 -4.53 115.29 118.12 1nb9 s HIS 91 Ca 0.46 1.94 -0.25 0.00 -1.54 0.00 0.00 55.06 55.67 1nb9 s HIS 91 Cb 0.13 0.35 0.01 0.00 0.04 0.00 0.00 32.58 33.12 1nb9 s HIS 91 CO -0.08 -0.41 0.90 0.99 -2.34 0.00 0.00 174.74 173.81 1nb9 s THR 92 N 0.65 4.62 0.08 0.89 2.01 -1.26 -5.04 115.64 117.59 1nb9 s THR 92 Ca -0.02 1.17 -0.06 0.00 0.31 0.00 0.00 61.69 63.09 1nb9 s THR 92 Cb -0.05 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.10 1nb9 s THR 92 CO -0.04 -0.49 0.34 -0.36 -0.69 0.00 0.00 174.62 173.38 1nb9 s PHE 93 N 3.38 3.53 -0.32 4.92 0.40 -1.26 -5.01 117.98 123.62 1nb9 s PHE 93 Ca 0.37 0.59 0.23 0.00 -0.60 0.00 0.00 56.93 57.52 1nb9 s PHE 93 Cb -0.12 -2.02 0.12 0.00 0.51 0.00 0.00 43.02 41.51 1nb9 s PHE 93 CO 0.18 0.52 1.21 0.87 0.70 0.00 0.00 175.22 178.69 1nb9 h LYS 94 N 3.38 0.00 -4.06 0.44 1.79 -2.08 -3.46 116.57 112.58 1nb9 h LYS 94 Ca -0.48 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 57.86 1nb9 h LYS 94 Cb 1.18 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.70 1nb9 h LYS 94 CO 0.70 0.00 -0.42 -1.83 -1.08 0.00 0.00 179.45 176.82 1nb9 s GLU 95 N -3.31 1.10 0.94 3.15 -1.05 -1.26 -5.15 118.70 113.11 1nb9 s GLU 95 Ca 0.02 -1.27 -0.11 0.00 -0.15 0.00 0.00 54.97 53.46 1nb9 s GLU 95 Cb 0.09 0.34 0.15 0.00 -0.44 0.00 0.00 34.13 34.27 1nb9 s GLU 95 CO 0.75 -0.38 1.09 -0.51 0.95 0.00 0.00 175.26 177.17 1nb9 s ASP 96 N -3.00 2.98 -0.27 0.83 1.01 -1.26 -5.00 116.67 111.96 1nb9 s ASP 96 Ca 0.20 1.72 0.18 0.00 0.71 0.00 0.00 52.55 55.36 1nb9 s ASP 96 Cb 0.04 -2.35 0.49 0.00 1.01 0.00 0.00 42.92 42.12 1nb9 s ASP 96 CO 0.01 -2.98 1.13 2.22 0.21 0.00 0.00 175.17 175.76 1nb9 n PHE 97 N -4.13 1.71 -1.82 4.23 1.16 -1.26 -5.08 117.46 112.27 1nb9 n PHE 97 Ca 0.08 -2.20 -0.41 0.00 -1.87 0.00 0.00 57.45 53.05 1nb9 n PHE 97 Cb 0.54 -0.26 -0.01 0.00 -1.61 0.00 0.00 39.48 38.13 1nb9 n PHE 97 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 1nb9 s TYR 98 N -3.72 2.71 0.00 2.97 2.02 -1.26 -2.09 117.35 117.98 1nb9 s TYR 98 Ca 0.34 0.99 0.00 0.00 -0.37 0.00 0.00 57.07 58.03 1nb9 s TYR 98 Cb 0.35 -4.02 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 1nb9 s TYR 98 CO -0.02 -3.21 0.00 0.41 -1.57 0.00 0.00 175.55 171.17 1nb9 n GLY 99 N 1.39 2.70 3.82 0.71 0.00 0.32 -4.94 105.19 109.19 1nb9 n GLY 99 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1nb9 n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nb9 s GLU 100 N -0.24 2.48 -0.17 1.61 0.41 -0.89 -4.57 118.70 117.32 1nb9 s GLU 100 Ca 0.00 0.73 -0.20 0.00 -0.41 0.00 0.00 54.97 55.09 1nb9 s GLU 100 Cb 0.00 -1.96 -0.03 0.00 -1.78 0.00 0.00 34.13 30.37 1nb9 s GLU 100 CO 0.00 -1.37 0.61 0.42 -0.49 0.00 0.00 175.26 174.43 1nb9 s ILE 101 N -3.14 5.05 -0.21 -1.63 -1.09 -1.26 -1.18 121.20 117.74 1nb9 s ILE 101 Ca 0.59 1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 60.04 1nb9 s ILE 101 Cb -0.14 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1nb9 s ILE 101 CO 0.54 0.16 0.29 -0.22 -1.23 0.00 0.00 174.94 174.48 1nb9 s LEU 102 N 1.62 4.16 -0.24 2.97 2.96 -0.07 -0.16 118.68 129.92 1nb9 s LEU 102 Ca 0.29 0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 54.48 1nb9 s LEU 102 Cb -0.16 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1nb9 s LEU 102 CO 0.11 0.01 0.10 0.20 -1.32 0.00 0.00 176.35 175.44 1nb9 s ASN 103 N 0.94 5.47 0.00 3.68 0.01 0.43 -1.74 114.94 123.71 1nb9 s ASN 103 Ca 0.14 -0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.26 1nb9 s ASN 103 Cb -0.14 -1.98 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1nb9 s ASN 103 CO 0.06 0.01 -0.17 0.68 -1.51 0.00 0.00 177.10 176.17 1nb9 s VAL 104 N 1.34 1.35 -0.24 1.60 -7.23 -0.11 -1.25 120.40 115.86 1nb9 s VAL 104 Ca 0.06 -0.83 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1nb9 s VAL 104 Cb -0.15 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.70 1nb9 s VAL 104 CO 0.05 0.30 -0.12 0.00 -0.31 0.00 0.00 175.10 175.02 1nb9 s ALA 105 N -0.51 2.53 -0.31 1.32 0.00 0.09 -1.50 121.76 123.38 1nb9 s ALA 105 Ca 0.06 -1.63 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 1nb9 s ALA 105 Cb -0.07 -1.52 -0.01 0.00 0.00 0.00 0.00 23.12 21.52 1nb9 s ALA 105 CO -0.00 -1.00 0.62 0.42 0.00 0.00 0.00 175.76 175.80 1nb9 s ILE 106 N 1.16 4.93 -0.04 0.00 1.01 0.12 -1.02 121.20 127.36 1nb9 s ILE 106 Ca -0.05 0.79 0.09 0.00 0.00 0.00 0.00 60.65 61.48 1nb9 s ILE 106 Cb -0.18 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 1nb9 s ILE 106 CO -0.07 -0.17 0.14 1.33 0.00 0.00 0.00 174.94 176.18 1nb9 n VAL 107 N 5.43 0.24 -3.78 2.92 0.24 0.40 -1.34 118.33 122.43 1nb9 n VAL 107 Ca -0.01 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.91 1nb9 n VAL 107 Cb 0.49 -0.12 -0.05 0.00 -1.47 0.00 0.00 33.84 32.70 1nb9 n VAL 107 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1nb9 s GLY 108 N -3.50 0.03 -0.09 7.63 0.00 -1.00 -4.71 107.32 105.68 1nb9 s GLY 108 Ca -0.04 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.32 1nb9 s GLY 108 CO 0.39 -0.40 -0.09 -0.47 0.00 0.00 0.00 173.10 172.53 1nb9 s TYR 109 N -3.89 2.88 -0.21 1.90 5.04 -1.26 -1.14 117.35 120.68 1nb9 s TYR 109 Ca 0.10 -0.15 -0.16 0.00 -2.44 0.00 0.00 57.07 54.42 1nb9 s TYR 109 Cb 0.00 -1.75 -0.11 0.00 0.35 0.00 0.00 41.96 40.45 1nb9 s TYR 109 CO -0.03 0.17 -0.15 1.28 -1.34 0.00 0.00 175.55 175.48 1nb9 n LEU 110 N 2.62 1.90 -3.56 6.97 4.77 0.92 -4.95 117.00 125.66 1nb9 n LEU 110 Ca -0.18 0.42 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 1nb9 n LEU 110 Cb 0.53 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1nb9 n LEU 110 CO 0.28 0.12 0.81 0.00 -1.33 0.00 0.00 177.39 177.26 1nb9 s ARG 111 N -2.49 0.69 0.88 3.23 1.70 -1.19 -5.01 118.95 116.76 1nb9 s ARG 111 Ca -0.29 -0.28 -0.11 0.00 -0.47 0.00 0.00 55.73 54.58 1nb9 s ARG 111 Cb 0.08 0.30 0.12 0.00 -0.57 0.00 0.00 34.95 34.88 1nb9 s ARG 111 CO 0.46 -0.30 1.10 -1.25 -1.08 0.00 0.00 175.30 174.22 1nb9 s PRO 112 N -2.89 1.34 0.69 3.89 0.04 -1.26 -0.20 135.00 136.61 1nb9 s PRO 112 Ca 0.08 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.03 1nb9 s PRO 112 Cb -0.01 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.75 1nb9 s PRO 112 CO -0.06 -2.26 1.25 -1.21 0.04 0.00 0.00 177.00 174.76 1nb9 s GLU 113 N -4.83 2.31 0.07 4.56 2.02 -1.26 -4.65 118.70 116.92 1nb9 s GLU 113 Ca 0.64 1.90 0.02 0.00 0.02 0.00 0.00 54.97 57.55 1nb9 s GLU 113 Cb -0.19 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1nb9 s GLU 113 CO 0.57 -1.74 -0.07 0.15 0.02 0.00 0.00 175.26 174.19 1nb9 s LYS 114 N -3.66 0.69 -0.12 1.61 1.02 -1.26 -5.04 119.74 112.98 1nb9 s LYS 114 Ca 0.78 -1.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 1nb9 s LYS 114 Cb -0.33 -0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 36.70 1nb9 s LYS 114 CO 0.43 0.01 0.44 -0.80 -0.92 0.00 0.00 175.35 174.51 1nb9 s ASN 115 N -2.36 6.65 0.04 2.83 0.01 -1.26 -5.08 114.94 115.77 1nb9 s ASN 115 Ca 0.02 0.77 0.06 0.00 -0.71 0.00 0.00 52.86 53.00 1nb9 s ASN 115 Cb -0.02 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1nb9 s ASN 115 CO -0.02 0.03 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.09 1nb9 s PHE 116 N 0.52 2.64 -1.14 2.20 0.08 -1.26 -5.02 117.98 115.99 1nb9 s PHE 116 Ca 0.24 -0.21 0.27 0.00 0.12 0.00 0.00 56.93 57.36 1nb9 s PHE 116 Cb -0.15 -1.48 0.92 0.00 -0.57 0.00 0.00 43.02 41.74 1nb9 s PHE 116 CO 0.09 0.30 1.69 -0.40 -0.10 0.00 0.00 175.22 176.80 1nb9 n ASP 117 N 1.44 0.33 -3.59 1.36 5.68 -1.26 -4.93 116.55 115.58 1nb9 n ASP 117 Ca -0.16 -0.05 -0.11 0.00 -0.50 0.00 0.00 54.79 53.97 1nb9 n ASP 117 Cb 0.52 -0.09 -0.04 0.00 -1.14 0.00 0.00 41.12 40.37 1nb9 n ASP 117 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nb9 s SER 118 N -2.89 -0.31 0.36 -1.12 1.04 -1.26 -5.02 113.70 104.50 1nb9 s SER 118 Ca 0.16 -0.21 0.04 0.00 0.48 0.00 0.00 55.95 56.42 1nb9 s SER 118 Cb 0.19 0.49 0.67 0.00 0.10 0.00 0.00 66.02 67.47 1nb9 s SER 118 CO 0.59 -0.85 1.96 -0.07 0.98 0.00 0.00 173.24 175.85 1nb9 h LEU 119 N 2.37 0.57 -0.39 2.42 3.38 -1.99 -1.91 115.31 119.76 1nb9 h LEU 119 Ca -0.34 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1nb9 h LEU 119 Cb 1.26 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1nb9 h LEU 119 CO 0.45 0.50 0.19 -0.08 0.09 0.00 0.00 178.44 179.59 1nb9 h GLU 120 N 0.63 0.38 -0.34 1.13 4.81 -1.99 0.14 114.58 119.34 1nb9 h GLU 120 Ca 0.16 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1nb9 h GLU 120 Cb 0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1nb9 h GLU 120 CO -0.02 0.25 -0.35 0.77 -0.73 0.00 0.00 179.01 178.94 1nb9 h SER 121 N 0.40 0.82 -0.26 1.04 0.02 -1.91 -1.84 113.55 111.82 1nb9 h SER 121 Ca 0.17 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1nb9 h SER 121 Cb 0.07 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1nb9 h SER 121 CO -0.12 1.09 0.10 0.25 -1.14 0.00 0.00 176.83 177.01 1nb9 h LEU 122 N 0.65 0.37 -0.54 5.07 5.85 -0.96 -0.73 115.31 125.02 1nb9 h LEU 122 Ca 0.06 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1nb9 h LEU 122 Cb 0.90 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1nb9 h LEU 122 CO 0.08 0.45 0.00 0.40 -0.34 0.00 0.00 178.44 179.03 1nb9 h ILE 123 N 0.27 1.26 -0.84 4.05 2.04 -0.69 -0.53 117.51 123.07 1nb9 h ILE 123 Ca 0.09 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.81 1nb9 h ILE 123 Cb 0.20 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1nb9 h ILE 123 CO -0.01 0.40 0.44 -1.28 0.00 0.00 0.00 178.15 177.70 1nb9 h SER 124 N 0.83 1.06 -0.45 1.72 0.87 -1.22 -0.43 113.55 115.93 1nb9 h SER 124 Ca 0.15 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1nb9 h SER 124 Cb 0.53 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1nb9 h SER 124 CO 0.03 0.87 0.15 0.00 -0.53 0.00 0.00 176.83 177.35 1nb9 h ALA 125 N 1.30 0.59 -0.49 6.23 0.00 -0.54 -0.21 119.26 126.14 1nb9 h ALA 125 Ca 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1nb9 h ALA 125 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nb9 h ALA 125 CO -0.04 0.23 0.15 0.82 0.00 0.00 0.00 179.25 180.41 1nb9 h ILE 126 N 0.59 1.23 -0.78 0.00 2.04 -0.69 -0.34 117.51 119.56 1nb9 h ILE 126 Ca 0.15 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 1nb9 h ILE 126 Cb 0.25 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1nb9 h ILE 126 CO -0.01 0.28 0.36 1.56 0.00 0.00 0.00 178.15 180.34 1nb9 h GLN 127 N 0.66 1.14 -0.73 2.37 4.20 -0.93 -0.92 115.11 120.90 1nb9 h GLN 127 Ca 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1nb9 h GLN 127 Cb 0.28 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1nb9 h GLN 127 CO -0.00 0.89 0.26 0.78 -0.67 0.00 0.00 178.83 180.09 1nb9 h GLY 128 N 1.15 1.18 0.95 3.46 0.00 -0.49 -1.33 103.07 107.99 1nb9 h GLY 128 Ca 0.27 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1nb9 h GLY 128 CO -0.03 0.61 0.18 -0.55 0.00 0.00 0.00 176.54 176.75 1nb9 h ASP 129 N 1.07 0.30 -0.40 0.19 3.32 -0.51 -1.00 116.42 119.38 1nb9 h ASP 129 Ca 0.24 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1nb9 h ASP 129 Cb 0.24 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1nb9 h ASP 129 CO -0.02 0.22 0.27 0.40 -1.72 0.00 0.00 179.24 178.39 1nb9 h ILE 130 N 0.37 1.10 -0.68 0.35 2.04 -0.86 0.44 117.51 120.28 1nb9 h ILE 130 Ca 0.11 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1nb9 h ILE 130 Cb -0.02 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1nb9 h ILE 130 CO -0.04 0.10 0.32 -0.33 0.00 0.00 0.00 178.15 178.19 1nb9 h GLU 131 N 0.54 0.99 -0.41 2.37 4.39 -1.11 -1.45 114.58 119.91 1nb9 h GLU 131 Ca 0.15 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1nb9 h GLU 131 Cb -0.06 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 1nb9 h GLU 131 CO -0.03 0.79 -0.13 1.49 -1.16 0.00 0.00 179.01 179.97 1nb9 h GLU 132 N 0.95 0.81 -0.58 2.33 4.57 -0.97 -2.71 114.58 118.99 1nb9 h GLU 132 Ca 0.23 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 1nb9 h GLU 132 Cb 0.13 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 1nb9 h GLU 132 CO -0.03 0.95 0.31 0.00 -1.18 0.00 0.00 179.01 179.06 1nb9 h ALA 133 N 0.84 0.75 -0.93 2.92 0.00 -0.70 -0.85 119.26 121.28 1nb9 h ALA 133 Ca 0.10 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nb9 h ALA 133 Cb 0.67 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1nb9 h ALA 133 CO 0.05 -0.02 0.61 0.87 0.00 0.00 0.00 179.25 180.76 1nb9 h LYS 134 N 0.59 1.16 -0.21 0.00 1.57 -1.02 -1.13 116.57 117.53 1nb9 h LYS 134 Ca 0.25 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 1nb9 h LYS 134 Cb 0.14 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1nb9 h LYS 134 CO -0.16 0.77 -0.32 0.87 -0.57 0.00 0.00 179.45 180.04 1nb9 h LYS 135 N 1.20 0.59 -0.08 3.15 1.57 -1.08 -3.23 116.57 118.67 1nb9 h LYS 135 Ca 0.36 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1nb9 h LYS 135 Cb -0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1nb9 h LYS 135 CO -0.10 0.96 -0.34 0.00 -0.57 0.00 0.00 179.45 179.39 1nb9 h ARG 136 N 0.27 0.16 0.00 3.15 3.08 -0.70 -2.68 114.38 117.67 1nb9 h ARG 136 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1nb9 h ARG 136 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1nb9 h ARG 136 CO 0.07 0.49 0.00 1.28 -1.07 0.00 0.00 179.97 180.75 1nb9 n LEU 137 N -4.10 0.00 0.05 3.04 4.77 -0.47 -2.04 117.00 118.25 1nb9 n LEU 137 Ca -0.01 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1nb9 n LEU 137 Cb 0.41 -0.29 0.39 0.00 -2.33 0.00 0.00 43.42 41.60 1nb9 n LEU 137 CO 0.40 -0.08 0.72 -0.62 -1.33 0.00 0.00 177.39 176.48 1nb9 n GLU 138 N -1.29 0.15 -1.90 3.23 -0.58 -1.01 -3.01 120.64 116.23 1nb9 n GLU 138 Ca 0.10 0.09 -0.42 0.00 -0.42 0.00 0.00 57.16 56.52 1nb9 n GLU 138 Cb 0.18 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.38 1nb9 n GLU 138 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1nb9 s LEU 139 N -3.79 4.37 0.43 -4.62 1.43 -0.87 -4.70 118.68 110.93 1nb9 s LEU 139 Ca 0.11 2.72 0.19 0.00 -1.03 0.00 0.00 54.13 56.12 1nb9 s LEU 139 Cb 0.15 -3.61 1.11 0.00 0.03 0.00 0.00 46.19 43.88 1nb9 s LEU 139 CO 0.62 -0.82 1.86 -0.65 0.23 0.00 0.00 176.35 177.60 1nb9 h PRO 140 N 5.89 0.36 -0.05 1.29 0.11 -1.90 0.26 132.00 137.96 1nb9 h PRO 140 Ca -0.44 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1nb9 h PRO 140 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1nb9 h PRO 140 CO 0.85 0.24 -0.14 1.49 -0.21 0.00 0.00 178.00 180.23 1nb9 h GLU 141 N 0.37 0.07 0.01 1.05 4.81 -1.95 -2.68 114.58 116.26 1nb9 h GLU 141 Ca 0.46 -0.01 -0.38 0.00 -0.13 0.00 0.00 59.36 59.30 1nb9 h GLU 141 Cb 1.18 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1nb9 h GLU 141 CO -0.16 0.22 -2.37 0.66 -0.73 0.00 0.00 179.01 176.62 1nb9 n TYR 142 N -4.33 0.13 -0.34 0.92 4.01 0.01 -4.35 117.16 113.21 1nb9 n TYR 142 Ca -0.02 0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1nb9 n TYR 142 Cb 0.23 -1.02 0.30 0.00 -0.31 0.00 0.00 39.34 38.54 1nb9 n TYR 142 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1nb9 h LEU 143 N 0.00 0.82 -1.95 7.72 5.85 -0.49 -1.79 115.31 125.47 1nb9 h LEU 143 Ca -0.54 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1nb9 h LEU 143 Cb 2.06 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.98 1nb9 h LEU 143 CO -0.02 0.39 -0.11 0.07 -0.34 0.00 0.00 178.44 178.43 1nb9 h LYS 144 N 0.86 0.00 0.00 1.25 2.10 -1.67 -2.89 116.57 116.22 1nb9 h LYS 144 Ca 0.51 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.14 1nb9 h LYS 144 Cb 0.67 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1nb9 h LYS 144 CO -0.29 0.11 -0.11 0.82 -2.00 0.00 0.00 179.45 177.99 1nb9 h ILE 145 N 0.00 0.39 -0.62 0.07 1.08 -1.54 -0.24 117.51 116.65 1nb9 h ILE 145 Ca -0.00 -0.61 0.18 0.00 -0.39 0.00 0.00 64.86 64.04 1nb9 h ILE 145 Cb 0.26 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 1nb9 h ILE 145 CO 0.01 0.11 0.44 0.50 -0.69 0.00 0.00 178.15 178.52 1nb9 h LYS 146 N 0.00 0.01 -0.61 2.37 3.64 -1.64 -1.46 116.57 118.89 1nb9 h LYS 146 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nb9 h LYS 146 Cb 0.43 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1nb9 h LYS 146 CO 0.01 0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 1nb9 n GLU 147 N -4.36 2.61 -1.72 1.90 -0.58 -0.10 -4.87 120.64 113.53 1nb9 n GLU 147 Ca 0.12 -2.48 -0.38 0.00 -0.42 0.00 0.00 57.16 54.00 1nb9 n GLU 147 Cb 0.68 -1.54 0.05 0.00 -0.57 0.00 0.00 31.44 30.06 1nb9 n GLU 147 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1nb9 n ASP 148 N 1.56 2.20 0.29 1.62 -0.08 -0.55 -4.79 116.55 116.81 1nb9 n ASP 148 Ca 0.23 0.91 0.18 0.00 -1.51 0.00 0.00 54.79 54.59 1nb9 n ASP 148 Cb 0.61 -1.54 0.99 0.00 2.34 0.00 0.00 41.12 43.52 1nb9 n ASP 148 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1nb9 h ASN 149 N 1.00 0.00 -0.73 1.67 2.35 -1.94 -0.73 115.58 117.20 1nb9 h ASN 149 Ca -0.50 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.40 1nb9 h ASN 149 Cb 1.33 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.59 1nb9 h ASN 149 CO 0.55 0.00 0.19 0.15 -1.65 0.00 0.00 177.43 176.67 1nb9 h PHE 150 N 0.00 0.30 0.10 1.19 3.57 -1.94 0.04 116.94 120.19 1nb9 h PHE 150 Ca 0.02 0.04 -0.28 0.00 3.53 0.00 0.00 57.97 61.28 1nb9 h PHE 150 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1nb9 h PHE 150 CO 0.00 -0.06 -1.40 0.74 -2.23 0.00 0.00 178.31 175.36 1nb9 h PHE 151 N 0.29 0.37 0.00 0.41 0.04 -1.47 -3.35 116.94 113.23 1nb9 h PHE 151 Ca 0.41 -0.27 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 1nb9 h PHE 151 Cb 0.68 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 1nb9 h PHE 151 CO -0.25 1.27 -0.32 1.96 -0.60 0.00 0.00 178.31 180.38 1nb9 h GLN 152 N 0.05 0.00 0.00 1.51 4.20 -1.12 -2.20 115.11 117.55 1nb9 h GLN 152 Ca -0.19 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1nb9 h GLN 152 Cb 1.97 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.73 1nb9 h GLN 152 CO 0.16 0.32 -0.51 -0.24 -0.67 0.00 0.00 178.83 177.89 1nb9 h VAL 153 N 0.00 1.29 0.00 -0.54 3.04 -1.15 -3.23 116.25 115.66 1nb9 h VAL 153 Ca -0.00 -1.79 -0.04 0.00 -1.01 0.00 0.00 66.70 63.86 1nb9 h VAL 153 Cb 0.61 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 1nb9 h VAL 153 CO 0.04 0.50 -0.17 0.28 -1.01 0.00 0.00 177.57 177.21 1nb9 h SER 154 N 0.00 0.00 -0.01 3.17 0.02 -1.52 -3.52 113.55 111.69 1nb9 h SER 154 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1nb9 h SER 154 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1nb9 h SER 154 CO 0.07 0.17 0.00 2.29 -1.14 0.00 0.00 176.83 178.22