#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b99 n ASN 7 N 0.00 3.62 -1.72 6.55 4.13 -1.26 -4.16 115.26 122.43 1b99 n ASN 7 Ca 0.00 -1.99 -0.03 0.00 1.68 0.00 0.00 54.58 54.24 1b99 n ASN 7 Cb 0.00 -0.40 0.26 0.00 -1.54 0.00 0.00 39.78 38.10 1b99 n ASN 7 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1b99 n LYS 8 N 1.51 3.36 -2.87 3.52 3.00 -1.26 -3.11 118.16 122.31 1b99 n LYS 8 Ca 0.22 -2.43 -0.37 0.00 -0.00 0.00 0.00 58.31 55.74 1b99 n LYS 8 Cb 0.59 -2.04 -0.06 0.00 0.00 0.00 0.00 35.03 33.51 1b99 n LYS 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1b99 s GLU 9 N -2.44 4.51 0.13 1.64 2.12 -1.22 -4.83 118.70 118.60 1b99 s GLU 9 Ca 0.43 1.21 0.06 0.00 0.36 0.00 0.00 54.97 57.03 1b99 s GLU 9 Cb 0.34 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 1b99 s GLU 9 CO 0.11 0.33 -0.13 1.03 -0.54 0.00 0.00 175.26 176.06 1b99 s ARG 10 N -1.96 1.05 0.06 4.30 0.52 -1.26 -0.31 118.95 121.34 1b99 s ARG 10 Ca 0.47 -1.30 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 1b99 s ARG 10 Cb -0.19 -0.86 -0.03 0.00 0.52 0.00 0.00 34.95 34.40 1b99 s ARG 10 CO 0.23 0.15 0.03 -0.08 0.02 0.00 0.00 175.30 175.66 1b99 s THR 11 N -2.41 0.19 -0.22 0.02 -1.32 -0.93 -4.72 115.64 106.26 1b99 s THR 11 Ca 0.11 -1.56 -0.06 0.00 -1.21 0.00 0.00 61.69 58.97 1b99 s THR 11 Cb -0.03 -1.35 -0.02 0.00 -1.51 0.00 0.00 72.50 69.58 1b99 s THR 11 CO 0.03 -0.86 0.02 0.12 -2.21 0.00 0.00 174.62 171.72 1b99 s PHE 12 N -3.65 3.05 0.12 9.09 2.19 -1.26 -2.66 117.98 124.86 1b99 s PHE 12 Ca 0.04 -0.47 0.09 0.00 0.33 0.00 0.00 56.93 56.93 1b99 s PHE 12 Cb 0.06 -2.13 -0.04 0.00 -1.31 0.00 0.00 43.02 39.59 1b99 s PHE 12 CO -0.09 -0.29 -0.20 -0.51 1.83 0.00 0.00 175.22 175.95 1b99 s LEU 13 N 1.21 2.59 -0.16 6.12 1.43 -0.48 -2.13 118.68 127.27 1b99 s LEU 13 Ca 0.04 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1b99 s LEU 13 Cb -0.15 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.69 1b99 s LEU 13 CO 0.02 0.18 0.32 0.00 0.23 0.00 0.00 176.35 177.10 1b99 s ALA 14 N -1.11 -0.79 -0.29 4.21 0.00 -0.60 -1.17 121.76 122.01 1b99 s ALA 14 Ca 0.17 1.16 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 1b99 s ALA 14 Cb -0.10 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.90 1b99 s ALA 14 CO 0.09 -0.67 0.93 0.08 0.00 0.00 0.00 175.76 176.18 1b99 s VAL 15 N 2.46 4.69 0.79 0.00 1.01 -0.15 -0.77 120.40 128.42 1b99 s VAL 15 Ca -0.00 1.56 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 1b99 s VAL 15 Cb -0.12 -4.26 0.07 0.00 0.00 0.00 0.00 36.38 32.07 1b99 s VAL 15 CO -0.10 -0.29 1.11 -0.54 0.00 0.00 0.00 175.10 175.29 1b99 s LYS 16 N 3.20 2.14 0.32 2.72 1.02 0.02 -2.04 119.74 127.12 1b99 s LYS 16 Ca 0.39 0.47 0.15 0.00 0.02 0.00 0.00 55.97 57.01 1b99 s LYS 16 Cb -0.14 -1.94 1.11 0.00 -0.52 0.00 0.00 37.83 36.34 1b99 s LYS 16 CO 0.12 -1.55 1.43 -2.30 -0.92 0.00 0.00 175.35 172.13 1b99 n PRO 17 N -3.35 -0.06 0.10 -1.68 -0.02 -1.23 0.10 135.00 128.86 1b99 n PRO 17 Ca 0.07 1.28 -0.05 0.00 -2.02 0.00 0.00 63.50 62.78 1b99 n PRO 17 Cb 0.58 -2.23 0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1b99 n PRO 17 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1b99 h ASP 18 N 0.00 0.12 -0.19 2.55 2.03 -1.89 0.30 116.42 119.34 1b99 h ASP 18 Ca 0.72 -0.09 -0.15 0.00 -0.73 0.00 0.00 57.03 56.79 1b99 h ASP 18 Cb 1.84 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 40.31 1b99 h ASP 18 CO -0.73 0.83 -0.46 1.23 -1.03 0.00 0.00 179.24 179.08 1b99 h GLY 19 N 1.98 0.71 0.76 7.15 0.00 -0.50 -1.84 103.07 111.33 1b99 h GLY 19 Ca -0.02 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.43 1b99 h GLY 19 CO 0.11 0.78 -0.09 -2.08 0.00 0.00 0.00 176.54 175.27 1b99 h VAL 20 N 0.33 0.92 -0.00 4.60 2.07 -1.21 -1.30 116.25 121.66 1b99 h VAL 20 Ca -0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1b99 h VAL 20 Cb 1.07 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1b99 h VAL 20 CO 0.10 0.11 0.01 0.00 0.02 0.00 0.00 177.57 177.81 1b99 h ALA 21 N 0.29 1.05 -0.49 1.67 0.00 -0.97 -1.37 119.26 119.44 1b99 h ALA 21 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1b99 h ALA 21 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1b99 h ALA 21 CO 0.04 -0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1b99 n ARG 22 N -3.14 2.56 -2.73 0.00 1.74 -0.69 -4.97 116.66 109.43 1b99 n ARG 22 Ca -0.03 -2.37 -0.12 0.00 -0.77 0.00 0.00 57.85 54.56 1b99 n ARG 22 Cb 0.08 -1.53 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1b99 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b99 n GLY 23 N 1.55 0.06 0.23 -0.13 0.00 -0.52 -4.95 105.19 101.44 1b99 n GLY 23 Ca 0.21 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1b99 n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b99 n LEU 24 N -2.38 1.47 -0.10 0.99 4.77 -0.51 -4.66 117.00 116.58 1b99 n LEU 24 Ca -0.05 -0.61 -0.13 0.00 -0.03 0.00 0.00 56.01 55.19 1b99 n LEU 24 Cb 0.56 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1b99 n LEU 24 CO 0.27 0.31 0.50 0.58 -1.33 0.00 0.00 177.39 177.72 1b99 h VAL 25 N 1.13 0.00 -0.41 4.08 2.07 -1.86 -1.50 116.25 119.76 1b99 h VAL 25 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1b99 h VAL 25 Cb 0.62 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1b99 h VAL 25 CO 0.00 0.00 0.13 1.23 0.02 0.00 0.00 177.57 178.95 1b99 h GLY 26 N -0.39 0.63 1.02 2.17 0.00 -1.97 -1.71 103.07 102.82 1b99 h GLY 26 Ca 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1b99 h GLY 26 CO -0.51 0.30 0.28 -2.09 0.00 0.00 0.00 176.54 174.52 1b99 h GLU 27 N 0.58 1.02 -0.00 4.80 4.57 -1.71 -0.88 114.58 122.97 1b99 h GLU 27 Ca 0.14 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1b99 h GLU 27 Cb 0.17 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1b99 h GLU 27 CO -0.01 0.84 -0.00 0.82 -1.18 0.00 0.00 179.01 179.48 1b99 h ILE 28 N 0.98 1.36 -0.87 2.32 2.04 -0.98 -2.79 117.51 119.57 1b99 h ILE 28 Ca 0.23 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.05 1b99 h ILE 28 Cb 0.20 2.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1b99 h ILE 28 CO -0.02 0.27 0.58 0.40 0.00 0.00 0.00 178.15 179.38 1b99 h ILE 29 N -0.44 1.20 -0.60 -0.67 2.04 -1.29 -1.79 117.51 115.96 1b99 h ILE 29 Ca 0.00 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1b99 h ILE 29 Cb 0.45 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1b99 h ILE 29 CO 0.00 0.21 0.35 0.00 0.00 0.00 0.00 178.15 178.71 1b99 h ALA 30 N 1.47 1.48 -0.67 1.87 0.00 -1.09 -1.61 119.26 120.71 1b99 h ALA 30 Ca 0.33 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 1b99 h ALA 30 Cb -0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1b99 h ALA 30 CO -0.08 0.44 0.10 0.00 0.00 0.00 0.00 179.25 179.71 1b99 h ARG 31 N 0.83 1.11 -0.26 0.00 3.08 -1.04 -1.56 114.38 116.54 1b99 h ARG 31 Ca 0.22 -0.30 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 1b99 h ARG 31 Cb -0.01 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1b99 h ARG 31 CO -0.04 1.02 -0.58 1.88 -1.07 0.00 0.00 179.97 181.18 1b99 h TYR 32 N 1.03 1.08 -0.71 3.04 0.05 -1.32 -2.83 116.97 117.31 1b99 h TYR 32 Ca 0.20 -0.40 -0.05 0.00 0.05 0.00 0.00 58.73 58.53 1b99 h TYR 32 Cb 0.45 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.97 1b99 h TYR 32 CO 0.03 1.23 0.25 0.93 -1.05 0.00 0.00 178.16 179.56 1b99 h GLU 33 N 0.61 1.07 -0.91 4.88 5.08 -1.18 -2.50 114.58 121.63 1b99 h GLU 33 Ca -0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1b99 h GLU 33 Cb 1.20 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1b99 h GLU 33 CO 0.13 0.91 0.55 0.87 -1.00 0.00 0.00 179.01 180.46 1b99 h LYS 34 N 1.02 1.24 -0.26 2.33 1.57 -1.28 -2.62 116.57 118.57 1b99 h LYS 34 Ca 0.23 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1b99 h LYS 34 Cb 0.25 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1b99 h LYS 34 CO -0.01 0.87 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.50 1b99 h LYS 35 N 1.26 0.40 0.00 3.15 1.63 -1.19 -3.47 116.57 118.34 1b99 h LYS 35 Ca 0.33 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1b99 h LYS 35 Cb -0.05 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1b99 h LYS 35 CO -0.06 0.44 0.00 0.41 -3.45 0.00 0.00 179.45 176.79 1b99 n GLY 36 N -0.98 0.91 3.78 5.01 0.00 -0.99 -5.11 105.19 107.82 1b99 n GLY 36 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1b99 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b99 s PHE 37 N -1.85 3.61 -0.18 1.61 0.08 -1.15 -4.86 117.98 115.25 1b99 s PHE 37 Ca 0.00 1.75 -0.10 0.00 0.12 0.00 0.00 56.93 58.70 1b99 s PHE 37 Cb 0.00 -2.94 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1b99 s PHE 37 CO 0.00 0.08 0.15 0.08 -0.10 0.00 0.00 175.22 175.43 1b99 s VAL 38 N -1.66 5.41 -0.47 -0.44 1.01 -0.23 -4.44 120.40 119.58 1b99 s VAL 38 Ca 0.52 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.45 1b99 s VAL 38 Cb -0.18 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1b99 s VAL 38 CO 0.23 0.46 1.39 -0.22 0.00 0.00 0.00 175.10 176.96 1b99 s LEU 39 N 0.18 3.52 0.02 3.92 2.96 -1.26 0.05 118.68 128.07 1b99 s LEU 39 Ca 0.10 0.60 0.23 0.00 -0.22 0.00 0.00 54.13 54.83 1b99 s LEU 39 Cb -0.11 -3.37 0.01 0.00 0.50 0.00 0.00 46.19 43.22 1b99 s LEU 39 CO -0.01 -1.52 1.01 0.52 -1.32 0.00 0.00 176.35 175.03 1b99 n VAL 40 N 6.99 0.08 -3.57 1.68 0.31 0.14 -4.92 118.33 119.04 1b99 n VAL 40 Ca 0.15 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 1b99 n VAL 40 Cb 0.49 0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 33.78 1b99 n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1b99 s GLY 41 N -3.44 -0.34 -0.28 2.92 0.00 -1.17 -1.13 107.32 103.89 1b99 s GLY 41 Ca 0.05 1.95 -0.24 0.00 0.00 0.00 0.00 44.72 46.48 1b99 s GLY 41 CO 0.81 1.15 0.84 -2.27 0.00 0.00 0.00 173.10 173.63 1b99 s LEU 42 N -0.89 -0.65 -0.11 0.66 2.96 -1.26 -1.36 118.68 118.03 1b99 s LEU 42 Ca -0.03 1.22 -0.31 0.00 -0.22 0.00 0.00 54.13 54.78 1b99 s LEU 42 Cb -0.01 2.22 0.12 0.00 0.50 0.00 0.00 46.19 49.02 1b99 s LEU 42 CO 0.03 -0.21 1.03 -1.59 -1.32 0.00 0.00 176.35 174.29 1b99 s LYS 43 N 0.47 0.57 -0.03 1.98 -2.85 -0.66 -5.01 119.74 114.21 1b99 s LYS 43 Ca -0.00 -0.11 0.06 0.00 -1.00 0.00 0.00 55.97 54.92 1b99 s LYS 43 Cb -0.05 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.97 1b99 s LYS 43 CO -0.04 -0.23 -0.21 -1.14 0.10 0.00 0.00 175.35 173.82 1b99 s GLN 44 N -2.28 2.30 0.13 1.78 0.74 -1.26 -1.17 119.66 119.89 1b99 s GLN 44 Ca 0.05 -0.84 -0.24 0.00 0.05 0.00 0.00 55.36 54.38 1b99 s GLN 44 Cb -0.01 -2.18 0.08 0.00 1.10 0.00 0.00 33.01 32.00 1b99 s GLN 44 CO -0.05 0.57 0.68 -0.48 -0.55 0.00 0.00 175.29 175.46 1b99 s LEU 45 N -0.62 -0.50 -0.39 3.68 2.34 -0.30 -4.97 118.68 117.92 1b99 s LEU 45 Ca 0.09 -0.03 -0.14 0.00 0.06 0.00 0.00 54.13 54.11 1b99 s LEU 45 Cb -0.11 2.47 0.01 0.00 -0.56 0.00 0.00 46.19 48.00 1b99 s LEU 45 CO -0.00 -0.91 0.28 -0.69 -1.06 0.00 0.00 176.35 173.97 1b99 s VAL 46 N -3.61 5.22 0.58 1.48 1.01 -1.26 0.03 120.40 123.85 1b99 s VAL 46 Ca 0.03 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 1b99 s VAL 46 Cb -0.01 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 1b99 s VAL 46 CO -0.11 -0.21 0.97 -2.65 0.00 0.00 0.00 175.10 173.09 1b99 n PRO 47 N 5.13 0.97 -3.94 2.72 -0.02 -1.26 -5.01 135.00 133.60 1b99 n PRO 47 Ca -0.12 0.37 -0.28 0.00 -2.02 0.00 0.00 63.50 61.46 1b99 n PRO 47 Cb 0.48 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1b99 n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b99 s THR 48 N -1.49 5.33 0.21 3.45 -1.32 -1.26 -4.61 115.64 115.95 1b99 s THR 48 Ca 0.74 -0.59 -0.12 0.00 -1.21 0.00 0.00 61.69 60.51 1b99 s THR 48 Cb -0.43 -3.69 0.20 0.00 -1.51 0.00 0.00 72.50 67.07 1b99 s THR 48 CO 0.49 -0.01 1.65 0.50 -2.21 0.00 0.00 174.62 175.04 1b99 h LYS 49 N 2.49 0.07 -0.89 7.08 3.64 -1.95 0.46 116.57 127.48 1b99 h LYS 49 Ca -0.47 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.99 1b99 h LYS 49 Cb 1.18 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1b99 h LYS 49 CO 0.71 0.05 0.57 0.38 -2.27 0.00 0.00 179.45 178.89 1b99 h ASP 50 N 0.07 0.83 -0.10 4.20 2.03 -1.98 0.14 116.42 121.61 1b99 h ASP 50 Ca 0.31 0.02 -0.21 0.00 -0.73 0.00 0.00 57.03 56.42 1b99 h ASP 50 Cb 0.50 -0.16 0.01 0.00 -0.83 0.00 0.00 39.33 38.85 1b99 h ASP 50 CO -0.56 0.51 -0.75 0.25 -1.03 0.00 0.00 179.24 177.66 1b99 h LEU 51 N 0.93 0.83 -0.21 0.15 5.85 -1.56 -0.85 115.31 120.46 1b99 h LEU 51 Ca 0.40 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1b99 h LEU 51 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1b99 h LEU 51 CO -0.16 1.37 0.13 0.00 -0.34 0.00 0.00 178.44 179.44 1b99 h ALA 52 N 0.48 0.26 -0.19 1.25 0.00 -0.31 -0.78 119.26 119.97 1b99 h ALA 52 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1b99 h ALA 52 Cb 1.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1b99 h ALA 52 CO 0.15 -0.24 0.08 0.93 0.00 0.00 0.00 179.25 180.17 1b99 h GLU 53 N 0.26 0.28 0.00 0.00 5.08 -0.75 -0.96 114.58 118.50 1b99 h GLU 53 Ca 0.08 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1b99 h GLU 53 Cb -0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1b99 h GLU 53 CO -0.02 0.35 -0.39 0.66 -1.00 0.00 0.00 179.01 178.61 1b99 h SER 54 N 0.16 0.00 -0.14 1.42 4.64 -1.14 -1.52 113.55 116.97 1b99 h SER 54 Ca 0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1b99 h SER 54 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1b99 h SER 54 CO -0.01 0.39 -0.34 -0.74 -0.87 0.00 0.00 176.83 175.27 1b99 h HIS 55 N 0.00 0.60 -0.38 4.77 -0.00 -0.93 -3.20 115.15 116.01 1b99 h HIS 55 Ca -0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 60.37 60.13 1b99 h HIS 55 Cb 0.73 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1b99 h HIS 55 CO 0.00 0.96 0.01 0.66 -0.00 0.00 0.00 177.93 179.55 1b99 n TYR 56 N -4.36 1.39 -0.36 5.26 4.01 -0.38 -4.67 117.16 118.04 1b99 n TYR 56 Ca -0.07 -0.49 0.01 0.00 -0.16 0.00 0.00 57.90 57.19 1b99 n TYR 56 Cb 0.50 -0.38 0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1b99 n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b99 h ALA 57 N 3.30 0.31 0.00 -0.72 0.00 -1.27 -0.28 119.26 120.59 1b99 h ALA 57 Ca 0.01 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1b99 h ALA 57 Cb 1.49 0.91 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1b99 h ALA 57 CO 0.33 -0.55 0.26 -0.85 0.00 0.00 0.00 179.25 178.45 1b99 n GLU 58 N -5.52 0.08 -0.08 0.00 0.28 -1.26 -0.46 120.64 113.68 1b99 n GLU 58 Ca 0.12 0.54 0.04 0.00 -0.16 0.00 0.00 57.16 57.70 1b99 n GLU 58 Cb 0.43 -2.03 0.08 0.00 1.43 0.00 0.00 31.44 31.35 1b99 n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1b99 n HIS 59 N -1.98 0.22 0.31 -1.84 8.25 -0.12 -4.65 115.22 115.42 1b99 n HIS 59 Ca -0.01 -0.35 0.19 0.00 -0.26 0.00 0.00 57.72 57.30 1b99 n HIS 59 Cb 0.28 -0.02 1.02 0.00 1.12 0.00 0.00 29.99 32.38 1b99 n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1b99 h LYS 60 N 1.43 0.00 0.00 -0.41 2.10 -0.78 0.20 116.57 119.12 1b99 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b99 h LYS 60 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1b99 h LYS 60 CO 0.00 0.00 -0.75 0.39 -2.00 0.00 0.00 179.45 177.09 1b99 n GLU 61 N -3.19 0.10 -2.63 0.07 -0.58 -1.26 -4.93 120.64 108.22 1b99 n GLU 61 Ca -0.02 0.01 -0.32 0.00 -0.42 0.00 0.00 57.16 56.41 1b99 n GLU 61 Cb 0.21 -1.54 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 1b99 n GLU 61 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1b99 s ARG 62 N -3.07 3.96 0.11 3.49 3.00 0.70 -5.01 118.95 122.13 1b99 s ARG 62 Ca 0.08 0.85 -0.26 0.00 0.00 0.00 0.00 55.73 56.40 1b99 s ARG 62 Cb 0.16 -2.23 -0.09 0.00 0.00 0.00 0.00 34.95 32.80 1b99 s ARG 62 CO 0.76 -0.14 1.66 -1.35 0.00 0.00 0.00 175.30 176.23 1b99 h PRO 63 N 1.27 -0.38 0.00 3.54 0.11 -1.92 -2.87 132.00 131.75 1b99 h PRO 63 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1b99 h PRO 63 Cb 1.18 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1b99 h PRO 63 CO 0.62 -0.25 0.00 1.97 -0.21 0.00 0.00 178.00 180.13 1b99 n PHE 64 N -5.33 0.29 -0.21 0.65 1.16 -1.26 -3.76 117.46 109.00 1b99 n PHE 64 Ca -0.07 0.13 0.00 0.00 -1.87 0.00 0.00 57.45 55.65 1b99 n PHE 64 Cb 0.25 -0.71 0.08 0.00 -1.61 0.00 0.00 39.48 37.49 1b99 n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1b99 h PHE 65 N 0.00 -0.25 -0.94 2.97 3.57 -1.70 -0.87 116.94 119.72 1b99 h PHE 65 Ca 0.00 0.05 0.16 0.00 3.53 0.00 0.00 57.97 61.71 1b99 h PHE 65 Cb 0.16 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 1b99 h PHE 65 CO 0.00 -0.25 0.60 0.78 -2.23 0.00 0.00 178.31 177.21 1b99 h GLY 66 N 0.03 1.37 2.00 2.40 0.00 -1.81 -0.46 103.07 106.60 1b99 h GLY 66 Ca 0.32 -0.32 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 1b99 h GLY 66 CO -0.63 0.06 -0.88 -1.33 0.00 0.00 0.00 176.54 173.76 1b99 h GLY 67 N 0.72 0.00 0.81 4.60 0.00 -1.47 -2.49 103.07 105.24 1b99 h GLY 67 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 1b99 h GLY 67 CO -0.25 0.00 -0.13 1.41 0.00 0.00 0.00 176.54 177.57 1b99 h LEU 68 N 0.00 -0.31 -1.34 3.11 3.38 -0.10 -1.65 115.31 118.39 1b99 h LEU 68 Ca -0.01 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1b99 h LEU 68 Cb 1.57 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1b99 h LEU 68 CO 0.11 -0.06 -0.20 0.58 0.09 0.00 0.00 178.44 178.96 1b99 h VAL 69 N -0.56 1.20 -0.27 1.22 2.07 -1.41 -1.88 116.25 116.61 1b99 h VAL 69 Ca -0.04 -0.93 -0.19 0.00 0.82 0.00 0.00 66.70 66.36 1b99 h VAL 69 Cb 0.41 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1b99 h VAL 69 CO 0.06 0.28 -0.57 0.28 0.02 0.00 0.00 177.57 177.65 1b99 h SER 70 N 0.17 0.97 -0.00 0.57 0.02 -1.37 -3.13 113.55 110.79 1b99 h SER 70 Ca 0.03 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1b99 h SER 70 Cb 0.47 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1b99 h SER 70 CO 0.03 1.34 -0.01 0.15 -1.14 0.00 0.00 176.83 177.20 1b99 h PHE 71 N 0.65 0.02 0.00 3.45 3.57 -1.14 -2.51 116.94 120.98 1b99 h PHE 71 Ca 0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1b99 h PHE 71 Cb 1.18 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1b99 h PHE 71 CO 0.08 0.66 -0.01 0.97 -2.23 0.00 0.00 178.31 177.78 1b99 h ILE 72 N -0.63 0.33 -0.35 1.41 2.10 -1.46 0.17 117.51 119.08 1b99 h ILE 72 Ca -0.00 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.90 1b99 h ILE 72 Cb 0.66 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1b99 h ILE 72 CO 0.00 0.01 0.00 0.35 -1.08 0.00 0.00 178.15 177.43 1b99 n THR 73 N -3.55 0.46 0.98 2.19 -2.24 -1.18 -4.27 114.28 106.66 1b99 n THR 73 Ca -0.03 -0.73 0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1b99 n THR 73 Cb 0.09 1.03 0.57 0.00 -2.10 0.00 0.00 70.33 69.91 1b99 n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b99 n SER 74 N 1.46 0.10 -2.67 3.42 3.41 0.61 -4.79 113.62 115.15 1b99 n SER 74 Ca 0.19 0.42 -0.02 0.00 -0.26 0.00 0.00 58.87 59.19 1b99 n SER 74 Cb 0.60 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 64.14 1b99 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b99 n GLY 75 N 1.49 0.78 3.77 5.00 0.00 -1.26 -5.10 105.19 109.87 1b99 n GLY 75 Ca 0.07 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 1b99 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b99 s PRO 76 N -2.04 3.98 0.02 1.61 0.04 -1.26 -4.30 135.00 133.05 1b99 s PRO 76 Ca 0.17 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1b99 s PRO 76 Cb -0.02 -2.69 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1b99 s PRO 76 CO 0.04 -0.42 -0.19 0.08 0.04 0.00 0.00 177.00 176.54 1b99 s VAL 77 N -1.35 1.56 -0.45 -0.36 1.01 0.10 -3.54 120.40 117.37 1b99 s VAL 77 Ca 0.58 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1b99 s VAL 77 Cb -0.34 -1.34 0.11 0.00 0.00 0.00 0.00 36.38 34.81 1b99 s VAL 77 CO 0.43 0.26 0.30 -0.69 0.00 0.00 0.00 175.10 175.40 1b99 s VAL 78 N -0.68 4.07 0.21 2.92 1.01 -0.87 -1.15 120.40 125.90 1b99 s VAL 78 Ca 0.07 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.17 1b99 s VAL 78 Cb -0.08 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 1b99 s VAL 78 CO 0.01 -0.68 0.64 0.00 0.00 0.00 0.00 175.10 175.07 1b99 s ALA 79 N 1.35 3.48 0.08 5.51 0.00 -0.31 -0.98 121.76 130.88 1b99 s ALA 79 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 51.96 51.78 1b99 s ALA 79 Cb -0.25 -2.66 0.06 0.00 0.00 0.00 0.00 23.12 20.27 1b99 s ALA 79 CO -0.00 0.40 0.54 0.00 0.00 0.00 0.00 175.76 176.69 1b99 s MET 80 N -2.20 1.11 -0.10 0.00 0.23 -0.32 -1.66 119.30 116.37 1b99 s MET 80 Ca 0.43 -0.33 0.01 0.00 -1.03 0.00 0.00 55.69 54.77 1b99 s MET 80 Cb -0.15 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.68 1b99 s MET 80 CO 0.20 -0.43 -0.12 0.08 -2.03 0.00 0.00 175.02 172.72 1b99 s VAL 81 N -2.92 1.27 0.01 5.16 1.01 -0.46 -1.38 120.40 123.08 1b99 s VAL 81 Ca -0.03 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1b99 s VAL 81 Cb -0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1b99 s VAL 81 CO -0.05 0.40 -0.09 -0.36 0.00 0.00 0.00 175.10 174.99 1b99 s PHE 82 N 1.19 2.82 0.04 5.22 0.08 -1.09 0.25 117.98 126.48 1b99 s PHE 82 Ca -0.04 -0.09 0.09 0.00 0.12 0.00 0.00 56.93 57.02 1b99 s PHE 82 Cb -0.14 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1b99 s PHE 82 CO -0.03 0.34 -0.26 -2.00 -0.10 0.00 0.00 175.22 173.17 1b99 s GLU 83 N -1.42 1.84 0.00 0.44 2.12 0.11 -2.18 118.70 119.61 1b99 s GLU 83 Ca 0.17 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.41 1b99 s GLU 83 Cb -0.11 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.29 1b99 s GLU 83 CO 0.07 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1b99 n GLY 84 N 1.84 0.65 3.67 -1.50 0.00 0.57 -1.06 105.19 109.36 1b99 n GLY 84 Ca -0.17 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1b99 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b99 s LYS 85 N -2.00 4.23 -1.48 1.61 2.20 -1.25 -2.93 119.74 120.12 1b99 s LYS 85 Ca 0.00 2.01 -0.12 0.00 -0.36 0.00 0.00 55.97 57.50 1b99 s LYS 85 Cb 0.00 -3.76 0.07 0.00 -1.51 0.00 0.00 37.83 32.62 1b99 s LYS 85 CO 0.00 -0.71 0.89 0.41 -0.36 0.00 0.00 175.35 175.58 1b99 n GLY 86 N 3.84 -0.51 0.22 5.54 0.00 -1.26 -4.89 105.19 108.12 1b99 n GLY 86 Ca 0.15 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1b99 n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b99 h VAL 87 N -1.91 1.27 -0.15 1.61 3.04 -1.81 -1.97 116.25 116.33 1b99 h VAL 87 Ca -0.55 -1.29 -0.00 0.00 -1.01 0.00 0.00 66.70 63.85 1b99 h VAL 87 Cb 1.36 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 32.13 1b99 h VAL 87 CO 0.63 0.39 0.08 0.58 -1.01 0.00 0.00 177.57 178.24 1b99 h VAL 88 N 0.25 1.10 -0.18 1.51 2.07 -1.88 0.34 116.25 119.47 1b99 h VAL 88 Ca 0.03 -0.27 -0.20 0.00 0.82 0.00 0.00 66.70 67.09 1b99 h VAL 88 Cb 0.68 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1b99 h VAL 88 CO 0.05 0.09 -0.69 0.00 0.02 0.00 0.00 177.57 177.05 1b99 h ALA 89 N 0.97 0.45 -0.49 1.67 0.00 -1.88 -2.73 119.26 117.25 1b99 h ALA 89 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 1b99 h ALA 89 Cb 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1b99 h ALA 89 CO -0.01 0.70 -0.11 1.03 0.00 0.00 0.00 179.25 180.86 1b99 h SER 90 N 0.51 0.95 -0.24 0.00 0.87 -1.27 -1.40 113.55 112.97 1b99 h SER 90 Ca -0.02 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.21 1b99 h SER 90 Cb 1.29 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 1b99 h SER 90 CO 0.14 1.09 0.02 0.00 -0.53 0.00 0.00 176.83 177.55 1b99 h ALA 91 N 0.89 0.23 -0.27 6.23 0.00 -0.27 -0.96 119.26 125.11 1b99 h ALA 91 Ca 0.12 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1b99 h ALA 91 Cb 0.67 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1b99 h ALA 91 CO 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 179.25 178.75 1b99 h ARG 92 N 0.11 0.47 -0.39 0.00 3.08 -1.38 -0.72 114.38 115.55 1b99 h ARG 92 Ca 0.11 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1b99 h ARG 92 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1b99 h ARG 92 CO -0.17 0.61 -0.05 1.25 -1.07 0.00 0.00 179.97 180.55 1b99 h LEU 93 N 0.43 0.62 -0.20 3.04 5.85 -0.44 -1.96 115.31 122.65 1b99 h LEU 93 Ca 0.08 -0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.43 1b99 h LEU 93 Cb 0.52 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1b99 h LEU 93 CO 0.03 0.72 -0.91 0.24 -0.34 0.00 0.00 178.44 178.18 1b99 h MET 94 N 0.60 0.40 -0.48 1.25 2.86 -0.76 -3.25 114.93 115.56 1b99 h MET 94 Ca 0.12 -0.42 -0.05 0.00 -2.06 0.00 0.00 59.70 57.28 1b99 h MET 94 Cb 0.45 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1b99 h MET 94 CO 0.02 1.09 0.09 0.82 1.06 0.00 0.00 176.91 179.99 1b99 h ILE 95 N 0.23 1.24 0.00 -1.22 2.04 -0.78 -0.51 117.51 118.52 1b99 h ILE 95 Ca -0.07 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1b99 h ILE 95 Cb 1.54 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1b99 h ILE 95 CO 0.16 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.23 1b99 n GLY 96 N -0.55 0.11 3.68 5.37 0.00 -0.77 -1.35 105.19 111.69 1b99 n GLY 96 Ca 0.01 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 1b99 n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b99 s VAL 97 N 0.00 2.97 0.33 1.61 -7.23 -1.26 -4.76 120.40 112.06 1b99 s VAL 97 Ca 0.00 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 1b99 s VAL 97 Cb 0.00 -2.89 0.39 0.00 0.56 0.00 0.00 36.38 34.44 1b99 s VAL 97 CO 0.00 -0.22 1.56 0.41 -0.31 0.00 0.00 175.10 176.54 1b99 n THR 98 N -1.04 -0.42 -3.40 5.32 -1.04 -1.26 -3.75 114.28 108.70 1b99 n THR 98 Ca -0.04 2.12 -0.44 0.00 -2.04 0.00 0.00 64.05 63.65 1b99 n THR 98 Cb 0.61 -3.22 -0.08 0.00 -1.82 0.00 0.00 70.33 65.81 1b99 n THR 98 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1b99 s ASN 99 N -4.83 6.14 0.55 8.00 3.04 -1.26 -4.66 114.94 121.92 1b99 s ASN 99 Ca -0.11 -1.15 0.28 0.00 0.04 0.00 0.00 52.86 51.92 1b99 s ASN 99 Cb 0.31 -2.18 1.45 0.00 -1.54 0.00 0.00 41.25 39.29 1b99 s ASN 99 CO 0.77 -0.60 1.95 1.55 -3.04 0.00 0.00 177.10 177.73 1b99 h PRO 100 N 8.73 0.00 0.00 0.43 0.13 -1.83 0.05 132.00 139.51 1b99 h PRO 100 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1b99 h PRO 100 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1b99 h PRO 100 CO 0.83 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.53 1b99 h LEU 101 N 0.00 0.00 -1.97 1.56 3.38 -1.79 -1.81 115.31 114.67 1b99 h LEU 101 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1b99 h LEU 101 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1b99 h LEU 101 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1b99 n ALA 102 N -1.96 2.42 -2.35 1.53 0.00 -0.02 -4.95 120.51 115.19 1b99 n ALA 102 Ca 0.01 -0.79 -0.40 0.00 0.00 0.00 0.00 53.44 52.26 1b99 n ALA 102 Cb 0.26 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1b99 n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b99 s SER 103 N -1.36 7.29 0.59 0.00 0.01 -0.68 -4.88 113.70 114.67 1b99 s SER 103 Ca 0.25 1.54 -0.18 0.00 1.31 0.00 0.00 55.95 58.86 1b99 s SER 103 Cb 0.16 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 1b99 s SER 103 CO 0.23 0.01 1.16 0.00 0.41 0.00 0.00 173.24 175.05 1b99 s ALA 104 N -0.10 2.57 0.53 1.44 0.00 -1.26 -4.39 121.76 120.54 1b99 s ALA 104 Ca 0.40 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 1b99 s ALA 104 Cb -0.21 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1b99 s ALA 104 CO 0.25 -1.06 1.31 -2.14 0.00 0.00 0.00 175.76 174.12 1b99 s PRO 105 N -3.44 3.26 0.00 0.00 0.02 -1.26 -2.80 135.00 130.78 1b99 s PRO 105 Ca 0.74 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.89 1b99 s PRO 105 Cb -0.26 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 31.98 1b99 s PRO 105 CO 0.32 -1.06 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1b99 n GLY 106 N 0.66 1.55 3.93 0.52 0.00 -1.26 -4.99 105.19 105.61 1b99 n GLY 106 Ca 0.10 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1b99 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b99 s SER 107 N -0.23 5.87 0.06 1.61 1.04 -1.12 -4.94 113.70 115.99 1b99 s SER 107 Ca 0.00 0.55 -0.37 0.00 0.48 0.00 0.00 55.95 56.60 1b99 s SER 107 Cb 0.00 -1.75 -0.20 0.00 0.10 0.00 0.00 66.02 64.16 1b99 s SER 107 CO 0.00 -0.76 1.58 0.40 0.98 0.00 0.00 173.24 175.44 1b99 h ILE 108 N 0.22 0.05 -0.63 -1.02 2.04 -1.09 -0.68 117.51 116.40 1b99 h ILE 108 Ca -0.46 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1b99 h ILE 108 Cb 1.24 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1b99 h ILE 108 CO 0.59 0.00 0.27 0.03 0.00 0.00 0.00 178.15 179.05 1b99 h ARG 109 N -1.28 0.91 -0.38 2.37 3.08 -1.47 -0.65 114.38 116.95 1b99 h ARG 109 Ca -0.13 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1b99 h ARG 109 Cb 0.99 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1b99 h ARG 109 CO 0.20 0.73 0.22 0.78 -1.07 0.00 0.00 179.97 180.83 1b99 h GLY 110 N 0.99 0.55 1.12 0.04 0.00 -1.67 0.76 103.07 104.86 1b99 h GLY 110 Ca 0.22 -0.22 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1b99 h GLY 110 CO -0.02 0.22 -1.54 -0.55 0.00 0.00 0.00 176.54 174.64 1b99 h ASP 111 N 0.53 0.00 0.00 0.19 3.32 -0.39 -3.43 116.42 116.64 1b99 h ASP 111 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1b99 h ASP 111 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1b99 h ASP 111 CO -0.02 0.90 -0.14 0.49 -1.72 0.00 0.00 179.24 178.74 1b99 n PHE 112 N -3.05 0.00 -3.95 4.55 3.72 -0.32 -5.09 117.46 113.32 1b99 n PHE 112 Ca -0.13 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.96 1b99 n PHE 112 Cb 0.99 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.48 1b99 n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1b99 s GLY 113 N -0.98 2.15 0.00 1.37 0.00 0.25 -5.00 107.32 105.10 1b99 s GLY 113 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1b99 s GLY 113 CO 0.00 -0.85 0.00 1.55 0.00 0.00 0.00 173.10 173.80 1b99 n VAL 114 N 0.36 0.00 -4.59 1.40 3.14 -1.26 -4.21 118.33 113.17 1b99 n VAL 114 Ca -0.06 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.08 1b99 n VAL 114 Cb 0.51 0.07 -0.14 0.00 -1.06 0.00 0.00 33.84 33.23 1b99 n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1b99 s ASP 115 N -0.56 2.25 0.39 6.55 2.15 -1.26 -4.51 116.67 121.68 1b99 s ASP 115 Ca 0.00 -0.49 0.14 0.00 0.43 0.00 0.00 52.55 52.63 1b99 s ASP 115 Cb 0.00 -0.18 0.80 0.00 -0.30 0.00 0.00 42.92 43.24 1b99 s ASP 115 CO 0.00 0.14 1.87 0.58 -0.17 0.00 0.00 175.17 177.58 1b99 h VAL 116 N 4.42 1.21 0.00 1.11 2.07 -1.97 -2.62 116.25 120.48 1b99 h VAL 116 Ca -0.41 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 1b99 h VAL 116 Cb 1.16 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1b99 h VAL 116 CO 0.44 0.32 -0.20 1.23 0.02 0.00 0.00 177.57 179.38 1b99 h GLY 117 N 1.00 0.00 -5.65 2.17 0.00 -1.96 -3.30 103.07 95.33 1b99 h GLY 117 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1b99 h GLY 117 CO 0.04 0.00 -0.57 0.54 0.00 0.00 0.00 176.54 176.55 1b99 n ARG 118 N -3.02 3.06 -1.49 4.80 5.12 -1.00 -4.91 116.66 119.22 1b99 n ARG 118 Ca 0.03 -4.79 -0.35 0.00 -1.93 0.00 0.00 57.85 50.81 1b99 n ARG 118 Cb 0.53 -2.26 0.07 0.00 -1.16 0.00 0.00 32.46 29.65 1b99 n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1b99 n ASN 119 N 0.16 7.45 0.00 0.55 0.23 -1.15 -4.21 115.26 118.29 1b99 n ASN 119 Ca 0.31 -3.79 0.00 0.00 -0.53 0.00 0.00 54.58 50.57 1b99 n ASN 119 Cb 0.39 -0.94 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 1b99 n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1b99 n ILE 120 N -0.84 0.00 -4.11 1.53 -0.00 -1.26 -4.78 119.36 109.91 1b99 n ILE 120 Ca 0.60 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 63.27 1b99 n ILE 120 Cb 0.61 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.15 1b99 n ILE 120 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 1b99 s ILE 121 N 0.00 0.34 -0.04 1.39 2.07 -1.26 -0.80 121.20 122.90 1b99 s ILE 121 Ca 0.00 -1.81 0.07 0.00 -1.41 0.00 0.00 60.65 57.50 1b99 s ILE 121 Cb 0.00 -1.52 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 1b99 s ILE 121 CO 0.00 -0.95 -0.25 -2.28 -1.91 0.00 0.00 174.94 169.55 1b99 s HIS 122 N -3.75 2.38 -0.00 3.50 5.65 0.05 -4.92 115.29 118.20 1b99 s HIS 122 Ca 0.07 -0.55 0.02 0.00 0.25 0.00 0.00 55.06 54.86 1b99 s HIS 122 Cb 0.07 -1.54 -0.01 0.00 -1.18 0.00 0.00 32.58 29.91 1b99 s HIS 122 CO -0.08 -0.11 -0.08 0.20 -0.65 0.00 0.00 174.74 174.02 1b99 s GLY 123 N -0.43 0.40 0.54 1.59 0.00 -1.26 -1.55 107.32 106.60 1b99 s GLY 123 Ca 0.04 -0.37 -0.22 0.00 0.00 0.00 0.00 44.72 44.18 1b99 s GLY 123 CO 0.01 -0.32 1.33 -0.56 0.00 0.00 0.00 173.10 173.56 1b99 s SER 124 N -0.28 5.36 0.00 1.64 0.01 -0.91 -4.93 113.70 114.60 1b99 s SER 124 Ca 0.02 2.70 0.24 0.00 1.31 0.00 0.00 55.95 60.23 1b99 s SER 124 Cb -0.03 -2.63 0.30 0.00 0.21 0.00 0.00 66.02 63.87 1b99 s SER 124 CO -0.00 -1.50 1.28 -0.90 0.41 0.00 0.00 173.24 172.52 1b99 n ASP 125 N -0.98 1.26 -3.53 2.44 5.68 -1.26 -4.77 116.55 115.39 1b99 n ASP 125 Ca 0.10 -1.01 -0.08 0.00 -0.50 0.00 0.00 54.79 53.31 1b99 n ASP 125 Cb 0.45 0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 40.82 1b99 n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1b99 s SER 126 N -2.66 -0.33 0.44 -1.12 1.04 -1.26 -4.95 113.70 104.86 1b99 s SER 126 Ca 0.18 -0.03 0.12 0.00 0.48 0.00 0.00 55.95 56.70 1b99 s SER 126 Cb 0.18 0.37 1.01 0.00 0.10 0.00 0.00 66.02 67.68 1b99 s SER 126 CO 0.62 -0.60 2.03 0.58 0.98 0.00 0.00 173.24 176.85 1b99 h VAL 127 N 2.00 0.98 -0.55 5.02 2.07 -1.93 0.21 116.25 124.04 1b99 h VAL 127 Ca -0.21 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 1b99 h VAL 127 Cb 1.23 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1b99 h VAL 127 CO 0.30 0.07 -0.04 1.05 0.02 0.00 0.00 177.57 178.97 1b99 h GLU 128 N 0.40 0.98 0.07 1.57 4.11 -1.97 -1.57 114.58 118.15 1b99 h GLU 128 Ca 0.20 -0.31 -0.27 0.00 0.07 0.00 0.00 59.36 59.04 1b99 h GLU 128 Cb 0.28 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1b99 h GLU 128 CO -0.05 0.98 -1.13 0.77 0.07 0.00 0.00 179.01 179.65 1b99 h SER 129 N 0.89 0.77 0.10 3.06 0.02 -1.65 -2.85 113.55 113.90 1b99 h SER 129 Ca 0.15 -0.68 0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1b99 h SER 129 Cb 0.57 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1b99 h SER 129 CO 0.03 1.49 -0.29 0.00 -1.14 0.00 0.00 176.83 176.92 1b99 h ALA 130 N 0.44 -0.48 -0.87 3.77 0.00 -0.48 -0.30 119.26 121.34 1b99 h ALA 130 Ca -0.15 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1b99 h ALA 130 Cb 1.80 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 20.00 1b99 h ALA 130 CO 0.21 -0.83 0.56 -0.91 0.00 0.00 0.00 179.25 178.29 1b99 h ASN 131 N -0.50 0.74 0.21 0.00 2.35 -1.31 0.21 115.58 117.29 1b99 h ASN 131 Ca 0.04 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1b99 h ASN 131 Cb 0.53 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1b99 h ASN 131 CO -0.18 0.43 -0.10 -0.09 -1.65 0.00 0.00 177.43 175.84 1b99 h ARG 132 N 0.82 -0.27 -0.18 0.81 2.43 -1.17 -3.02 114.38 113.79 1b99 h ARG 132 Ca 0.41 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1b99 h ARG 132 Cb 0.47 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1b99 h ARG 132 CO -0.17 0.08 0.11 0.93 -1.51 0.00 0.00 179.97 179.41 1b99 h GLU 133 N -0.68 0.25 -0.85 0.20 5.08 -0.73 -1.72 114.58 116.12 1b99 h GLU 133 Ca -0.03 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.46 1b99 h GLU 133 Cb 0.48 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.58 1b99 h GLU 133 CO 0.05 0.20 0.43 0.82 -1.00 0.00 0.00 179.01 179.51 1b99 h ILE 134 N 0.22 0.71 0.00 3.13 2.04 -1.05 0.27 117.51 122.83 1b99 h ILE 134 Ca 0.07 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1b99 h ILE 134 Cb 0.01 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1b99 h ILE 134 CO -0.01 0.11 -0.09 0.00 0.00 0.00 0.00 178.15 178.16 1b99 h ALA 135 N 1.57 0.98 0.07 1.87 0.00 -1.35 0.11 119.26 122.51 1b99 h ALA 135 Ca 0.47 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 55.08 1b99 h ALA 135 Cb 0.69 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.48 1b99 h ALA 135 CO -0.38 0.11 -0.90 1.25 0.00 0.00 0.00 179.25 179.34 1b99 h LEU 136 N 0.00 0.67 0.00 0.00 6.46 0.36 -3.38 115.31 119.42 1b99 h LEU 136 Ca -0.00 -0.82 -0.26 0.00 -0.12 0.00 0.00 57.88 56.68 1b99 h LEU 136 Cb 0.76 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.44 1b99 h LEU 136 CO 0.01 1.42 -1.84 0.79 -0.62 0.00 0.00 178.44 178.19 1b99 n TRP 137 N -4.03 0.63 -5.01 1.25 7.02 -0.07 -4.96 117.44 112.27 1b99 n TRP 137 Ca -0.12 0.22 -0.31 0.00 -1.02 0.00 0.00 57.50 56.27 1b99 n TRP 137 Cb 0.83 -1.06 -0.15 0.00 -2.42 0.00 0.00 31.31 28.52 1b99 n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1b99 s PHE 138 N -2.72 2.43 0.28 -5.99 0.40 0.38 -5.10 117.98 107.66 1b99 s PHE 138 Ca -0.06 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1b99 s PHE 138 Cb 0.08 -1.48 -0.08 0.00 0.51 0.00 0.00 43.02 42.05 1b99 s PHE 138 CO 0.83 0.10 0.64 0.15 0.70 0.00 0.00 175.22 177.63 1b99 s LYS 139 N -0.96 3.88 0.38 0.44 -0.14 -1.26 -4.44 119.74 117.64 1b99 s LYS 139 Ca 0.12 0.44 0.13 0.00 -1.36 0.00 0.00 55.97 55.30 1b99 s LYS 139 Cb -0.10 -2.54 0.96 0.00 -1.68 0.00 0.00 37.83 34.46 1b99 s LYS 139 CO 0.01 0.23 1.85 -1.35 -0.76 0.00 0.00 175.35 175.33 1b99 h PRO 140 N 2.32 0.53 0.00 -1.68 0.11 -1.95 -0.75 132.00 130.57 1b99 h PRO 140 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b99 h PRO 140 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1b99 h PRO 140 CO 0.67 0.35 0.00 0.93 -0.21 0.00 0.00 178.00 179.74 1b99 h GLU 141 N 0.54 0.00 -0.01 1.05 3.07 -2.03 -2.63 114.58 114.58 1b99 h GLU 141 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1b99 h GLU 141 Cb 0.98 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 1b99 h GLU 141 CO -0.21 0.00 -0.38 0.39 -1.40 0.00 0.00 179.01 177.41 1b99 n GLU 142 N -2.60 0.75 -4.22 2.33 1.02 -0.29 -4.88 120.64 112.75 1b99 n GLU 142 Ca 0.00 -0.50 -0.34 0.00 -0.02 0.00 0.00 57.16 56.30 1b99 n GLU 142 Cb 0.17 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 1b99 n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1b99 s LEU 143 N -2.60 3.57 0.41 -4.62 1.43 -0.99 -4.53 118.68 111.35 1b99 s LEU 143 Ca 0.20 0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1b99 s LEU 143 Cb 0.19 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.45 1b99 s LEU 143 CO 0.58 0.21 1.26 -0.76 0.23 0.00 0.00 176.35 177.87 1b99 s LEU 144 N 0.12 4.20 -0.26 1.79 2.01 -0.28 -4.95 118.68 121.31 1b99 s LEU 144 Ca 0.02 2.56 -0.13 0.00 0.01 0.00 0.00 54.13 56.60 1b99 s LEU 144 Cb -0.13 -3.95 -0.15 0.00 0.01 0.00 0.00 46.19 41.98 1b99 s LEU 144 CO 0.02 -0.82 -0.21 0.35 1.01 0.00 0.00 176.35 176.70 1b99 n THR 145 N 0.08 1.54 -2.82 5.49 -2.24 -1.26 -4.76 114.28 110.31 1b99 n THR 145 Ca 0.04 -0.36 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 1b99 n THR 145 Cb 0.44 -1.84 -0.03 0.00 -2.10 0.00 0.00 70.33 66.81 1b99 n THR 145 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b99 s GLU 146 N -2.49 3.27 -0.01 -0.78 2.02 -1.26 -4.88 118.70 114.57 1b99 s GLU 146 Ca -0.36 -1.00 -0.00 0.00 0.02 0.00 0.00 54.97 53.63 1b99 s GLU 146 Cb 0.12 -4.47 -0.00 0.00 0.10 0.00 0.00 34.13 29.88 1b99 s GLU 146 CO 0.54 -1.88 -0.01 -0.24 0.02 0.00 0.00 175.26 173.69 1b99 h VAL 147 N 6.02 0.00 -5.69 2.63 3.04 -2.01 -3.51 116.25 116.73 1b99 h VAL 147 Ca -0.15 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1b99 h VAL 147 Cb 1.05 0.00 -0.03 0.00 -2.01 0.00 0.00 31.29 30.31 1b99 h VAL 147 CO 1.20 0.00 -0.94 0.29 -1.01 0.00 0.00 177.57 177.11 1b99 n LYS 148 N -2.30 -2.31 -2.39 4.17 5.02 -1.26 -5.03 118.16 114.05 1b99 n LYS 148 Ca -0.00 2.02 -0.24 0.00 -2.02 0.00 0.00 58.31 58.07 1b99 n LYS 148 Cb 0.01 -3.13 0.06 0.00 -0.02 0.00 0.00 35.03 31.95 1b99 n LYS 148 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b99 s PRO 149 N -0.96 2.25 -0.05 1.97 0.04 -1.26 -5.02 135.00 131.97 1b99 s PRO 149 Ca -0.06 -0.53 -0.36 0.00 0.04 0.00 0.00 61.00 60.10 1b99 s PRO 149 Cb 0.00 -2.29 -0.14 0.00 0.04 0.00 0.00 34.50 32.11 1b99 s PRO 149 CO 0.40 -1.09 1.68 -1.71 0.04 0.00 0.00 177.00 176.33 1b99 n ASN 150 N -2.72 2.75 0.07 6.66 2.85 -1.26 -4.85 115.26 118.76 1b99 n ASN 150 Ca 0.09 1.05 0.07 0.00 -0.11 0.00 0.00 54.58 55.68 1b99 n ASN 150 Cb 0.60 -1.29 0.33 0.00 1.24 0.00 0.00 39.78 40.67 1b99 n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1b99 n PRO 151 N 4.86 0.08 -0.03 1.20 -0.04 -1.26 -1.77 135.00 138.03 1b99 n PRO 151 Ca 0.22 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.26 1b99 n PRO 151 Cb 0.23 -1.70 0.49 0.00 -0.04 0.00 0.00 33.50 32.48 1b99 n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b99 n ASN 152 N -1.86 1.37 -0.09 3.54 3.02 -1.26 -3.78 115.26 116.20 1b99 n ASN 152 Ca 0.01 -1.55 -0.19 0.00 -0.03 0.00 0.00 54.58 52.82 1b99 n ASN 152 Cb 0.10 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.10 1b99 n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b99 n LEU 153 N 0.10 2.76 -4.46 3.41 4.77 -0.73 -4.99 117.00 117.86 1b99 n LEU 153 Ca 0.18 -0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.82 1b99 n LEU 153 Cb 0.31 -0.91 -0.13 0.00 -2.33 0.00 0.00 43.42 40.36 1b99 n LEU 153 CO 0.15 0.90 -0.49 -0.31 -1.33 0.00 0.00 177.39 176.31 1b99 s TYR 154 N -2.53 2.57 -2.29 -1.77 2.02 -1.25 -5.14 117.35 108.97 1b99 s TYR 154 Ca -0.30 -0.25 0.30 0.00 -0.37 0.00 0.00 57.07 56.45 1b99 s TYR 154 Cb 0.08 -1.47 1.41 0.00 -0.40 0.00 0.00 41.96 41.58 1b99 s TYR 154 CO 0.66 0.25 1.95 -1.91 -1.57 0.00 0.00 175.55 174.93