#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 2.13 -1.60 6.55 4.13 -1.26 -4.09 115.26 121.12 1b99 n ASN 7 Ca 0.00 -1.80 -0.06 0.00 1.68 0.00 0.00 54.58 54.39 1b99 n ASN 7 Cb 0.00 -0.15 0.18 0.00 -1.54 0.00 0.00 39.78 38.27 1b99 n ASN 7 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1b99 n LYS 8 N 0.63 2.54 -2.87 3.52 5.02 -1.26 -2.75 118.16 122.99 1b99 n LYS 8 Ca 0.17 -1.94 -0.37 0.00 -2.02 0.00 0.00 58.31 54.15 1b99 n LYS 8 Cb 0.40 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 1b99 n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1b99 s GLU 9 N -2.09 4.49 0.13 1.97 2.12 -1.22 -4.83 118.70 119.27 1b99 s GLU 9 Ca 0.35 1.20 0.06 0.00 0.36 0.00 0.00 54.97 56.94 1b99 s GLU 9 Cb 0.28 -2.82 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1b99 s GLU 9 CO 0.08 0.31 -0.14 1.03 -0.54 0.00 0.00 175.26 176.00 1b99 s ARG 10 N -2.04 1.06 0.05 4.30 0.52 -1.26 -0.46 118.95 121.13 1b99 s ARG 10 Ca 0.48 -1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1b99 s ARG 10 Cb -0.18 -0.91 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 1b99 s ARG 10 CO 0.23 0.17 -0.04 -0.08 0.02 0.00 0.00 175.30 175.60 1b99 s THR 11 N -2.33 0.27 -0.22 0.02 -1.32 -0.85 -4.71 115.64 106.49 1b99 s THR 11 Ca 0.11 -1.67 -0.05 0.00 -1.21 0.00 0.00 61.69 58.87 1b99 s THR 11 Cb -0.04 -1.33 -0.02 0.00 -1.51 0.00 0.00 72.50 69.61 1b99 s THR 11 CO 0.03 -0.89 0.01 0.12 -2.21 0.00 0.00 174.62 171.68 1b99 s PHE 12 N -3.45 3.03 0.16 9.09 5.36 -1.26 -2.58 117.98 128.32 1b99 s PHE 12 Ca 0.04 -0.59 0.10 0.00 -0.96 0.00 0.00 56.93 55.52 1b99 s PHE 12 Cb 0.04 -2.13 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 1b99 s PHE 12 CO -0.08 -0.37 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.61 1b99 s LEU 13 N 1.32 2.59 -0.20 6.12 1.43 -0.24 -2.23 118.68 127.46 1b99 s LEU 13 Ca 0.04 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1b99 s LEU 13 Cb -0.15 -1.37 0.10 0.00 0.03 0.00 0.00 46.19 44.80 1b99 s LEU 13 CO 0.01 0.14 0.38 0.00 0.23 0.00 0.00 176.35 177.11 1b99 s ALA 14 N -1.42 -1.05 -0.19 4.21 0.00 0.03 -1.39 121.76 121.96 1b99 s ALA 14 Ca 0.20 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 53.08 1b99 s ALA 14 Cb -0.09 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 1b99 s ALA 14 CO 0.10 -0.91 1.09 0.08 0.00 0.00 0.00 175.76 176.12 1b99 s VAL 15 N 2.56 4.58 0.69 0.00 1.01 -0.41 -0.47 120.40 128.37 1b99 s VAL 15 Ca 0.04 1.90 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 1b99 s VAL 15 Cb -0.13 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1b99 s VAL 15 CO -0.13 -0.13 1.08 -0.54 0.00 0.00 0.00 175.10 175.37 1b99 s LYS 16 N 3.03 2.88 0.27 2.72 1.02 0.24 -2.19 119.74 127.71 1b99 s LYS 16 Ca 0.48 0.43 0.09 0.00 0.02 0.00 0.00 55.97 56.99 1b99 s LYS 16 Cb -0.17 -2.04 0.83 0.00 -0.52 0.00 0.00 37.83 35.93 1b99 s LYS 16 CO 0.11 -0.99 1.22 -2.30 -0.92 0.00 0.00 175.35 172.46 1b99 n PRO 17 N -2.96 -0.05 -0.00 -1.68 -0.02 -1.24 0.09 135.00 129.13 1b99 n PRO 17 Ca 0.07 1.11 -0.09 0.00 -2.02 0.00 0.00 63.50 62.57 1b99 n PRO 17 Cb 0.57 -1.89 0.06 0.00 -0.02 0.00 0.00 33.50 32.22 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 0.64 -0.29 2.55 2.03 -1.89 0.15 116.42 119.62 1b99 h ASP 18 Ca 0.57 -0.33 -0.13 0.00 -0.73 0.00 0.00 57.03 56.41 1b99 h ASP 18 Cb 1.38 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 1b99 h ASP 18 CO -0.66 1.04 -0.32 1.23 -1.03 0.00 0.00 179.24 179.50 1b99 h GLY 19 N 1.04 0.79 0.78 7.15 0.00 -0.51 -1.53 103.07 110.80 1b99 h GLY 19 Ca 0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1b99 h GLY 19 CO 0.10 0.75 -0.10 -2.08 0.00 0.00 0.00 176.54 175.21 1b99 h VAL 20 N 0.47 0.87 0.00 4.60 2.07 -1.10 -1.91 116.25 121.26 1b99 h VAL 20 Ca 0.04 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1b99 h VAL 20 Cb 0.90 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1b99 h VAL 20 CO 0.08 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.77 1b99 h ALA 21 N 0.25 1.00 -0.58 1.67 0.00 -0.71 -1.54 119.26 119.35 1b99 h ALA 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 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 0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1b99 n ARG 22 N -2.87 2.47 -3.12 0.00 1.74 -0.58 -4.96 116.66 109.34 1b99 n ARG 22 Ca -0.02 -2.27 -0.15 0.00 -0.77 0.00 0.00 57.85 54.64 1b99 n ARG 22 Cb 0.13 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.11 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 1.51 -0.01 0.62 -0.13 0.00 -0.58 -4.96 105.19 101.65 1b99 n GLY 23 Ca 0.21 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.25 2.26 0.17 0.99 4.77 -0.74 -4.68 117.00 116.52 1b99 n LEU 24 Ca -0.01 -0.93 -0.17 0.00 -0.03 0.00 0.00 56.01 54.87 1b99 n LEU 24 Cb 0.54 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 1b99 n LEU 24 CO 0.39 0.40 0.53 0.58 -1.33 0.00 0.00 177.39 177.96 1b99 h VAL 25 N 3.04 0.02 -0.73 4.08 2.07 -1.87 -1.43 116.25 121.44 1b99 h VAL 25 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1b99 h VAL 25 Cb 0.70 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 1b99 h VAL 25 CO 0.00 0.00 0.43 1.23 0.02 0.00 0.00 177.57 179.25 1b99 h GLY 26 N -0.83 1.08 0.67 2.17 0.00 -1.98 -1.63 103.07 102.55 1b99 h GLY 26 Ca -0.02 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.05 1b99 h GLY 26 CO -0.21 0.21 0.20 -2.09 0.00 0.00 0.00 176.54 174.65 1b99 h GLU 27 N 0.80 0.39 -0.33 4.80 4.57 -1.77 -0.17 114.58 122.86 1b99 h GLU 27 Ca 0.32 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.38 1b99 h GLU 27 Cb 0.16 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1b99 h GLU 27 CO -0.17 0.26 -0.15 0.82 -1.18 0.00 0.00 179.01 178.59 1b99 h ILE 28 N 0.41 1.29 -0.69 2.32 2.04 -1.00 -2.66 117.51 119.21 1b99 h ILE 28 Ca 0.21 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.77 1b99 h ILE 28 Cb 0.16 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1b99 h ILE 28 CO -0.18 0.41 0.25 0.40 0.00 0.00 0.00 178.15 179.03 1b99 h ILE 29 N 0.46 1.24 -0.66 -0.67 2.04 -1.07 -2.47 117.51 116.39 1b99 h ILE 29 Ca 0.08 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1b99 h ILE 29 Cb 0.68 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1b99 h ILE 29 CO 0.05 0.31 0.31 0.00 0.00 0.00 0.00 178.15 178.82 1b99 h ALA 30 N 1.27 1.31 -0.77 1.87 0.00 -0.90 -1.88 119.26 120.16 1b99 h ALA 30 Ca 0.23 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1b99 h ALA 30 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1b99 h ALA 30 CO -0.02 0.53 0.28 0.00 0.00 0.00 0.00 179.25 180.05 1b99 h ARG 31 N 0.93 1.17 -0.11 0.00 3.08 -1.09 -0.80 114.38 117.56 1b99 h ARG 31 Ca 0.23 -0.23 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1b99 h ARG 31 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1b99 h ARG 31 CO -0.03 0.96 -0.75 1.88 -1.07 0.00 0.00 179.97 180.96 1b99 h TYR 32 N 1.13 0.75 -0.54 3.04 0.05 -1.38 -2.88 116.97 117.15 1b99 h TYR 32 Ca 0.25 -0.34 -0.11 0.00 0.05 0.00 0.00 58.73 58.59 1b99 h TYR 32 Cb 0.25 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1b99 h TYR 32 CO 0.02 1.12 -0.09 0.93 -1.05 0.00 0.00 178.16 179.09 1b99 h GLU 33 N 0.38 1.02 -0.64 4.88 5.08 -1.12 -2.74 114.58 121.44 1b99 h GLU 33 Ca -0.04 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1b99 h GLU 33 Cb 1.35 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1b99 h GLU 33 CO 0.14 1.06 0.39 0.87 -1.00 0.00 0.00 179.01 180.47 1b99 h LYS 34 N 0.90 0.86 0.00 2.33 1.57 -1.16 -2.01 116.57 119.06 1b99 h LYS 34 Ca 0.14 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1b99 h LYS 34 Cb 0.66 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1b99 h LYS 34 CO 0.05 0.60 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.96 1b99 h LYS 35 N 0.88 0.00 0.00 3.15 1.63 -1.26 -3.47 116.57 117.50 1b99 h LYS 35 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1b99 h LYS 35 Cb -0.04 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1b99 h LYS 35 CO -0.04 0.34 0.00 0.41 -3.45 0.00 0.00 179.45 176.71 1b99 n GLY 36 N -0.27 1.27 3.85 5.01 0.00 -0.76 -5.11 105.19 109.19 1b99 n GLY 36 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.00 3.51 -0.19 1.61 0.08 -1.09 -4.89 117.98 115.00 1b99 s PHE 37 Ca 0.00 1.14 -0.11 0.00 0.12 0.00 0.00 56.93 58.08 1b99 s PHE 37 Cb 0.00 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.95 1b99 s PHE 37 CO 0.00 0.27 0.18 0.08 -0.10 0.00 0.00 175.22 175.65 1b99 s VAL 38 N -1.71 5.37 -0.61 -0.44 1.01 -0.30 -4.46 120.40 119.27 1b99 s VAL 38 Ca 0.46 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 1b99 s VAL 38 Cb -0.13 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1b99 s VAL 38 CO 0.19 0.41 1.52 -0.22 0.00 0.00 0.00 175.10 177.00 1b99 s LEU 39 N 0.48 3.32 0.08 3.92 2.96 -1.26 -0.21 118.68 127.96 1b99 s LEU 39 Ca 0.10 0.16 0.24 0.00 -0.22 0.00 0.00 54.13 54.42 1b99 s LEU 39 Cb -0.12 -2.81 0.38 0.00 0.50 0.00 0.00 46.19 44.14 1b99 s LEU 39 CO 0.00 -1.92 1.33 0.52 -1.32 0.00 0.00 176.35 174.96 1b99 n VAL 40 N 6.86 0.23 -3.64 1.68 0.31 0.88 -4.91 118.33 119.74 1b99 n VAL 40 Ca 0.13 -0.19 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 1b99 n VAL 40 Cb 0.50 0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.36 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 -3.46 -0.21 -0.17 2.92 0.00 -1.12 -1.36 107.32 103.92 1b99 s GLY 41 Ca 0.07 2.61 -0.15 0.00 0.00 0.00 0.00 44.72 47.26 1b99 s GLY 41 CO 0.72 1.91 0.44 -2.27 0.00 0.00 0.00 173.10 173.89 1b99 s LEU 42 N 0.40 0.26 -0.21 0.66 2.96 -1.26 -1.05 118.68 120.44 1b99 s LEU 42 Ca 0.01 0.89 -0.31 0.00 -0.22 0.00 0.00 54.13 54.51 1b99 s LEU 42 Cb -0.05 1.50 0.15 0.00 0.50 0.00 0.00 46.19 48.29 1b99 s LEU 42 CO -0.06 -0.16 1.17 -1.59 -1.32 0.00 0.00 176.35 174.39 1b99 s LYS 43 N 0.38 0.34 -0.06 1.98 -2.85 -0.84 -5.01 119.74 113.68 1b99 s LYS 43 Ca -0.01 0.03 0.01 0.00 -1.00 0.00 0.00 55.97 55.00 1b99 s LYS 43 Cb -0.04 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 1b99 s LYS 43 CO -0.01 -0.12 -0.06 -1.14 0.10 0.00 0.00 175.35 174.12 1b99 s GLN 44 N -1.37 2.72 0.09 1.78 0.74 -1.26 -0.66 119.66 121.71 1b99 s GLN 44 Ca 0.05 -0.57 -0.25 0.00 0.05 0.00 0.00 55.36 54.63 1b99 s GLN 44 Cb -0.01 -2.58 0.08 0.00 1.10 0.00 0.00 33.01 31.60 1b99 s GLN 44 CO -0.04 0.66 0.72 -0.48 -0.55 0.00 0.00 175.29 175.60 1b99 s LEU 45 N -0.93 -0.48 -0.40 3.68 2.34 -0.14 -4.96 118.68 117.78 1b99 s LEU 45 Ca 0.13 -0.00 -0.14 0.00 0.06 0.00 0.00 54.13 54.18 1b99 s LEU 45 Cb -0.11 2.36 0.02 0.00 -0.56 0.00 0.00 46.19 47.90 1b99 s LEU 45 CO 0.03 -0.83 0.28 -0.69 -1.06 0.00 0.00 176.35 174.08 1b99 s VAL 46 N -3.49 5.15 0.53 1.48 1.01 -1.26 0.10 120.40 123.91 1b99 s VAL 46 Ca 0.03 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 1b99 s VAL 46 Cb -0.01 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1b99 s VAL 46 CO -0.11 -0.30 1.16 -2.65 0.00 0.00 0.00 175.10 173.20 1b99 n PRO 47 N 5.13 1.40 -3.53 2.72 -0.02 -1.26 -5.01 135.00 134.43 1b99 n PRO 47 Ca -0.11 0.52 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 1b99 n PRO 47 Cb 0.47 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.35 4.73 0.20 3.45 -1.32 -1.26 -4.57 115.64 115.53 1b99 s THR 48 Ca 0.70 -0.76 -0.10 0.00 -1.21 0.00 0.00 61.69 60.32 1b99 s THR 48 Cb -0.45 -3.69 0.13 0.00 -1.51 0.00 0.00 72.50 66.98 1b99 s THR 48 CO 0.51 -0.35 1.76 0.07 -2.21 0.00 0.00 174.62 174.39 1b99 h LYS 49 N 0.86 0.45 -0.49 7.08 2.10 -1.95 0.82 116.57 125.44 1b99 h LYS 49 Ca -0.49 -0.03 0.07 0.00 -2.00 0.00 0.00 60.65 58.20 1b99 h LYS 49 Cb 1.24 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.41 1b99 h LYS 49 CO 0.59 0.30 0.16 -0.44 -2.00 0.00 0.00 179.45 178.05 1b99 h ASP 50 N 0.46 0.15 0.12 7.07 5.19 -1.98 0.22 116.42 127.65 1b99 h ASP 50 Ca 0.29 0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.62 1b99 h ASP 50 Cb 0.31 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1b99 h ASP 50 CO -0.26 0.12 -0.50 0.25 -3.12 0.00 0.00 179.24 175.73 1b99 h LEU 51 N 0.33 0.47 -0.30 1.55 5.85 -1.74 -0.44 115.31 121.03 1b99 h LEU 51 Ca 0.23 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1b99 h LEU 51 Cb 0.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1b99 h LEU 51 CO -0.25 0.89 -0.13 0.00 -0.34 0.00 0.00 178.44 178.62 1b99 h ALA 52 N 1.13 0.42 -0.32 1.25 0.00 -0.15 -1.78 119.26 119.80 1b99 h ALA 52 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1b99 h ALA 52 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b99 h ALA 52 CO 0.09 0.30 -0.19 0.93 0.00 0.00 0.00 179.25 180.38 1b99 h GLU 53 N 0.38 0.70 -0.50 0.00 5.08 -0.55 -1.10 114.58 118.58 1b99 h GLU 53 Ca 0.07 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1b99 h GLU 53 Cb 0.64 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1b99 h GLU 53 CO 0.04 0.92 0.02 0.77 -1.00 0.00 0.00 179.01 179.76 1b99 h SER 54 N 0.46 0.79 0.21 1.42 0.02 -1.09 -0.69 113.55 114.66 1b99 h SER 54 Ca 0.07 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1b99 h SER 54 Cb 0.73 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1b99 h SER 54 CO 0.05 0.85 -0.10 -0.74 -1.14 0.00 0.00 176.83 175.75 1b99 h HIS 55 N 0.78 -0.26 -0.48 3.45 -0.00 -1.17 -3.01 115.15 114.45 1b99 h HIS 55 Ca 0.15 -0.01 -0.17 0.00 -0.00 0.00 0.00 60.37 60.35 1b99 h HIS 55 Cb 0.44 0.09 -0.10 0.00 -0.00 0.00 0.00 27.41 27.83 1b99 h HIS 55 CO 0.02 -0.06 0.21 0.66 -0.00 0.00 0.00 177.93 178.76 1b99 n TYR 56 N -5.15 1.57 -0.26 5.26 4.01 -0.43 -4.66 117.16 117.49 1b99 n TYR 56 Ca -0.09 -0.91 0.00 0.00 -0.16 0.00 0.00 57.90 56.75 1b99 n TYR 56 Cb 0.18 -0.52 0.07 0.00 -0.31 0.00 0.00 39.34 38.76 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 2.22 0.38 -0.27 -0.72 0.00 -0.99 0.11 119.26 120.00 1b99 h ALA 57 Ca 0.21 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.47 1b99 h ALA 57 Cb 1.79 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 20.22 1b99 h ALA 57 CO 0.49 -0.47 0.48 1.05 0.00 0.00 0.00 179.25 180.81 1b99 h GLU 58 N -0.03 0.00 -0.03 0.00 4.11 -1.87 0.51 114.58 117.27 1b99 h GLU 58 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1b99 h GLU 58 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1b99 h GLU 58 CO -0.79 0.00 -0.07 0.72 0.07 0.00 0.00 179.01 178.94 1b99 n HIS 59 N -3.29 0.00 -0.12 2.06 8.25 0.36 -4.63 115.22 117.86 1b99 n HIS 59 Ca 0.04 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.77 1b99 n HIS 59 Cb 0.61 0.00 0.70 0.00 1.12 0.00 0.00 29.99 32.42 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 4.34 0.00 -0.01 -0.41 2.10 -0.84 0.88 116.57 122.62 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 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1b99 h LYS 60 CO 0.00 0.00 -0.40 -1.91 -2.00 0.00 0.00 179.45 175.14 1b99 n GLU 61 N -3.88 1.00 -2.53 0.07 4.07 -1.26 -4.93 120.64 113.19 1b99 n GLU 61 Ca 0.17 -0.74 -0.29 0.00 -0.06 0.00 0.00 57.16 56.24 1b99 n GLU 61 Cb 0.98 -1.48 -0.01 0.00 -0.06 0.00 0.00 31.44 30.87 1b99 n GLU 61 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1b99 s ARG 62 N -2.51 3.63 0.10 5.31 3.00 0.30 -5.01 118.95 123.77 1b99 s ARG 62 Ca 0.21 0.41 -0.25 0.00 0.00 0.00 0.00 55.73 56.09 1b99 s ARG 62 Cb 0.18 -2.31 -0.11 0.00 0.00 0.00 0.00 34.95 32.72 1b99 s ARG 62 CO 0.56 -0.24 1.68 -1.35 0.00 0.00 0.00 175.30 175.95 1b99 h PRO 63 N 0.39 -0.30 0.00 3.54 0.11 -1.92 -3.12 132.00 130.70 1b99 h PRO 63 Ca -0.46 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1b99 h PRO 63 Cb 1.20 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1b99 h PRO 63 CO 0.62 -0.20 -0.02 0.27 -0.21 0.00 0.00 178.00 178.46 1b99 h PHE 64 N -0.31 0.00 -0.88 0.65 -5.15 -1.95 -3.31 116.94 105.99 1b99 h PHE 64 Ca 0.02 0.00 0.14 0.00 -0.20 0.00 0.00 57.97 57.92 1b99 h PHE 64 Cb 0.31 0.00 -0.14 0.00 0.22 0.00 0.00 35.95 36.34 1b99 h PHE 64 CO -0.15 0.02 -0.34 0.34 -2.00 0.00 0.00 178.31 176.18 1b99 n PHE 65 N -3.66 0.03 -0.18 6.09 7.35 -1.18 -1.04 117.46 124.88 1b99 n PHE 65 Ca -0.03 1.09 -0.01 0.00 -0.76 0.00 0.00 57.45 57.74 1b99 n PHE 65 Cb 0.11 -0.84 0.06 0.00 0.35 0.00 0.00 39.48 39.17 1b99 n PHE 65 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1b99 h GLY 66 N 0.00 0.50 1.97 7.13 0.00 -1.82 0.11 103.07 110.96 1b99 h GLY 66 Ca 0.31 0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 1b99 h GLY 66 CO -0.88 -0.19 -0.44 -1.33 0.00 0.00 0.00 176.54 173.70 1b99 h GLY 67 N 0.06 0.04 0.77 4.60 0.00 -1.35 -1.33 103.07 105.86 1b99 h GLY 67 Ca 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1b99 h GLY 67 CO -0.51 0.03 -0.13 1.41 0.00 0.00 0.00 176.54 177.34 1b99 h LEU 68 N 0.03 -0.31 -0.54 3.11 3.38 0.24 -1.15 115.31 120.07 1b99 h LEU 68 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1b99 h LEU 68 Cb 0.80 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1b99 h LEU 68 CO 0.06 -0.03 0.34 0.58 0.09 0.00 0.00 178.44 179.48 1b99 h VAL 69 N -0.60 1.15 -0.48 1.22 2.07 -0.89 -1.76 116.25 116.96 1b99 h VAL 69 Ca -0.04 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1b99 h VAL 69 Cb 0.43 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1b99 h VAL 69 CO 0.06 0.15 0.10 0.28 0.02 0.00 0.00 177.57 178.19 1b99 h SER 70 N 0.73 0.68 0.02 0.57 0.02 -1.19 -2.90 113.55 111.49 1b99 h SER 70 Ca 0.20 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 1b99 h SER 70 Cb -0.05 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 62.33 1b99 h SER 70 CO -0.04 0.69 -0.43 0.15 -1.14 0.00 0.00 176.83 176.06 1b99 h PHE 71 N 0.71 0.38 0.00 3.45 3.57 -0.91 -2.70 116.94 121.44 1b99 h PHE 71 Ca 0.16 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1b99 h PHE 71 Cb 0.29 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1b99 h PHE 71 CO 0.01 1.07 0.00 0.97 -2.23 0.00 0.00 178.31 178.13 1b99 h ILE 72 N -0.41 0.00 -0.02 1.41 2.10 -1.32 0.81 117.51 120.08 1b99 h ILE 72 Ca -0.06 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1b99 h ILE 72 Cb 1.20 1.04 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 1b99 h ILE 72 CO 0.08 0.00 -0.09 0.35 -1.08 0.00 0.00 178.15 177.41 1b99 n THR 73 N -2.93 0.00 0.51 2.19 -2.24 -1.10 -4.24 114.28 106.47 1b99 n THR 73 Ca -0.02 -0.45 0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1b99 n THR 73 Cb 0.12 1.40 0.44 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.94 0.44 -1.90 3.42 3.41 0.28 -4.76 113.62 115.44 1b99 n SER 74 Ca 0.12 0.59 -0.01 0.00 -0.26 0.00 0.00 58.87 59.31 1b99 n SER 74 Cb 0.51 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 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 0.29 0.96 3.77 5.00 0.00 -1.26 -5.11 105.19 108.85 1b99 n GLY 75 Ca 0.03 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.02 4.03 0.07 1.61 0.04 -1.26 -4.28 135.00 133.19 1b99 s PRO 76 Ca 0.09 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.07 1b99 s PRO 76 Cb -0.01 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1b99 s PRO 76 CO 0.02 -0.35 -0.19 0.08 0.04 0.00 0.00 177.00 176.59 1b99 s VAL 77 N -1.41 1.58 -0.40 -0.36 1.01 0.11 -3.62 120.40 117.32 1b99 s VAL 77 Ca 0.57 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1b99 s VAL 77 Cb -0.31 -1.41 0.09 0.00 0.00 0.00 0.00 36.38 34.75 1b99 s VAL 77 CO 0.39 0.03 0.19 -0.69 0.00 0.00 0.00 175.10 175.03 1b99 s VAL 78 N -1.00 3.53 0.26 2.92 1.01 -0.93 -0.97 120.40 125.22 1b99 s VAL 78 Ca 0.06 -1.75 -0.13 0.00 0.00 0.00 0.00 61.98 60.15 1b99 s VAL 78 Cb -0.09 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1b99 s VAL 78 CO 0.03 -0.55 0.63 0.00 0.00 0.00 0.00 175.10 175.22 1b99 s ALA 79 N 1.25 3.46 0.00 5.51 0.00 0.17 -1.29 121.76 130.86 1b99 s ALA 79 Ca 0.04 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.62 1b99 s ALA 79 Cb -0.22 -2.60 0.09 0.00 0.00 0.00 0.00 23.12 20.38 1b99 s ALA 79 CO -0.02 0.42 0.75 0.00 0.00 0.00 0.00 175.76 176.92 1b99 s MET 80 N -2.74 1.00 -0.08 0.00 0.23 -0.49 -1.98 119.30 115.24 1b99 s MET 80 Ca 0.49 -0.09 0.02 0.00 -1.03 0.00 0.00 55.69 55.08 1b99 s MET 80 Cb -0.12 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 33.66 1b99 s MET 80 CO 0.19 -0.38 -0.13 0.08 -2.03 0.00 0.00 175.02 172.76 1b99 s VAL 81 N -2.32 1.24 -0.00 5.16 1.01 -0.21 -1.08 120.40 124.19 1b99 s VAL 81 Ca -0.03 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1b99 s VAL 81 Cb -0.01 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1b99 s VAL 81 CO -0.02 0.39 -0.10 -0.36 0.00 0.00 0.00 175.10 175.00 1b99 s PHE 82 N 0.90 2.80 0.01 5.22 0.40 -1.07 -0.08 117.98 126.15 1b99 s PHE 82 Ca -0.10 -0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1b99 s PHE 82 Cb -0.15 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1b99 s PHE 82 CO 0.01 0.32 -0.21 -2.00 0.70 0.00 0.00 175.22 174.04 1b99 s GLU 83 N -1.27 2.11 0.00 0.44 2.12 0.70 -2.01 118.70 120.80 1b99 s GLU 83 Ca 0.15 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.55 1b99 s GLU 83 Cb -0.11 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.13 1b99 s GLU 83 CO 0.05 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 1b99 n GLY 84 N 1.95 1.22 3.67 -1.50 0.00 0.39 -1.15 105.19 109.78 1b99 n GLY 84 Ca -0.16 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 4.20 -1.32 1.61 2.20 -1.23 -3.05 119.74 120.15 1b99 s LYS 85 Ca 0.00 2.22 -0.04 0.00 -0.36 0.00 0.00 55.97 57.78 1b99 s LYS 85 Cb 0.00 -3.81 0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1b99 s LYS 85 CO 0.00 -0.77 0.32 0.41 -0.36 0.00 0.00 175.35 174.95 1b99 n GLY 86 N 4.03 -0.50 0.32 5.54 0.00 -1.26 -4.88 105.19 108.43 1b99 n GLY 86 Ca 0.16 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.68 1.19 -0.51 1.61 3.04 -1.83 -1.76 116.25 117.30 1b99 h VAL 87 Ca -0.42 -0.55 -0.01 0.00 -1.01 0.00 0.00 66.70 64.71 1b99 h VAL 87 Cb 1.29 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 1b99 h VAL 87 CO 0.49 0.23 0.27 0.58 -1.01 0.00 0.00 177.57 178.12 1b99 h VAL 88 N 0.81 1.18 0.07 1.51 2.07 -1.88 0.48 116.25 120.49 1b99 h VAL 88 Ca 0.20 -0.49 -0.28 0.00 0.82 0.00 0.00 66.70 66.95 1b99 h VAL 88 Cb 0.09 0.57 0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1b99 h VAL 88 CO -0.03 0.20 -1.15 0.00 0.02 0.00 0.00 177.57 176.61 1b99 h ALA 89 N 1.11 0.05 -0.63 1.67 0.00 -1.87 -2.78 119.26 116.80 1b99 h ALA 89 Ca 0.18 -0.74 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1b99 h ALA 89 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1b99 h ALA 89 CO -0.03 0.68 0.03 1.03 0.00 0.00 0.00 179.25 180.97 1b99 h SER 90 N 0.33 1.06 -0.45 0.00 0.87 -1.20 -0.68 113.55 113.48 1b99 h SER 90 Ca -0.16 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1b99 h SER 90 Cb 1.81 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 63.46 1b99 h SER 90 CO 0.22 1.09 0.27 0.00 -0.53 0.00 0.00 176.83 177.89 1b99 h ALA 91 N 1.02 0.57 -0.42 6.23 0.00 -0.06 -0.16 119.26 126.44 1b99 h ALA 91 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1b99 h ALA 91 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1b99 h ALA 91 CO 0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 179.25 179.12 1b99 h ARG 92 N 0.55 0.76 -0.79 0.00 3.08 -1.22 -0.54 114.38 116.22 1b99 h ARG 92 Ca 0.18 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1b99 h ARG 92 Cb -0.00 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1b99 h ARG 92 CO -0.07 0.85 0.42 1.25 -1.07 0.00 0.00 179.97 181.34 1b99 h LEU 93 N 0.69 1.00 -0.35 3.04 5.85 -0.38 -1.79 115.31 123.37 1b99 h LEU 93 Ca 0.12 -0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.56 1b99 h LEU 93 Cb 0.60 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1b99 h LEU 93 CO 0.04 0.82 -0.83 0.24 -0.34 0.00 0.00 178.44 178.37 1b99 h MET 94 N 1.12 0.12 -0.23 1.25 2.86 -0.62 -3.24 114.93 116.19 1b99 h MET 94 Ca 0.28 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1b99 h MET 94 Cb 0.06 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1b99 h MET 94 CO -0.04 0.88 -0.05 0.82 1.06 0.00 0.00 176.91 179.58 1b99 h ILE 95 N 0.07 1.28 0.00 -1.22 2.04 -0.67 -0.77 117.51 118.24 1b99 h ILE 95 Ca -0.03 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.79 1b99 h ILE 95 Cb 1.44 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1b99 h ILE 95 CO 0.12 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.20 1b99 n GLY 96 N -0.16 0.21 3.69 5.37 0.00 -0.71 -1.43 105.19 112.16 1b99 n GLY 96 Ca -0.04 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 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 2.35 0.30 1.61 -7.23 -1.26 -4.74 120.40 111.42 1b99 s VAL 97 Ca 0.00 -1.81 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1b99 s VAL 97 Cb 0.00 -2.96 0.36 0.00 0.56 0.00 0.00 36.38 34.35 1b99 s VAL 97 CO 0.00 -0.05 1.60 0.74 -0.31 0.00 0.00 175.10 177.08 1b99 h THR 98 N 1.58 0.14 -3.56 5.32 2.02 -1.99 -3.33 112.91 113.09 1b99 h THR 98 Ca -0.43 -0.03 -0.68 0.00 0.77 0.00 0.00 66.41 66.04 1b99 h THR 98 Cb 1.25 0.06 -0.17 0.00 -1.74 0.00 0.00 68.15 67.54 1b99 h THR 98 CO 0.71 0.01 -0.12 0.21 0.37 0.00 0.00 175.52 176.70 1b99 s ASN 99 N -5.02 6.23 0.60 4.18 3.04 -1.26 -4.66 114.94 118.05 1b99 s ASN 99 Ca -0.12 -0.51 0.30 0.00 0.04 0.00 0.00 52.86 52.57 1b99 s ASN 99 Cb 0.28 -2.25 1.82 0.00 -1.54 0.00 0.00 41.25 39.56 1b99 s ASN 99 CO 0.77 -0.60 2.21 1.55 -3.04 0.00 0.00 177.10 178.00 1b99 h PRO 100 N 8.72 0.00 0.00 0.43 0.13 -1.82 -0.71 132.00 138.75 1b99 h PRO 100 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.82 1b99 h PRO 100 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1b99 h PRO 100 CO 0.81 0.00 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.29 1b99 h LEU 101 N 0.00 0.00 -1.50 1.56 3.38 -1.79 -2.43 115.31 114.53 1b99 h LEU 101 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1b99 h LEU 101 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1b99 h LEU 101 CO -0.00 0.22 -0.21 0.00 0.09 0.00 0.00 178.44 178.54 1b99 n ALA 102 N -2.25 2.95 -2.17 1.53 0.00 -0.31 -4.92 120.51 115.34 1b99 n ALA 102 Ca -0.00 -0.67 -0.41 0.00 0.00 0.00 0.00 53.44 52.36 1b99 n ALA 102 Cb 0.39 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 -2.18 7.50 0.47 0.00 0.01 -0.91 -4.89 113.70 113.70 1b99 s SER 103 Ca 0.23 1.85 -0.23 0.00 1.31 0.00 0.00 55.95 59.11 1b99 s SER 103 Cb 0.19 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 1b99 s SER 103 CO 0.41 -0.05 1.18 0.00 0.41 0.00 0.00 173.24 175.20 1b99 s ALA 104 N -0.20 2.95 0.40 1.44 0.00 -1.26 -4.42 121.76 120.67 1b99 s ALA 104 Ca 0.46 0.96 -0.27 0.00 0.00 0.00 0.00 51.96 53.11 1b99 s ALA 104 Cb -0.24 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 1b99 s ALA 104 CO 0.31 -0.72 1.47 -2.30 0.00 0.00 0.00 175.76 174.51 1b99 n PRO 105 N -0.56 2.55 0.00 0.00 -0.02 -1.26 -2.43 135.00 133.27 1b99 n PRO 105 Ca 0.08 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1b99 n PRO 105 Cb 0.48 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1b99 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b99 n GLY 106 N 0.50 1.41 3.91 -1.23 0.00 -1.26 -4.99 105.19 103.53 1b99 n GLY 106 Ca 0.02 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.41 6.31 0.10 1.61 1.04 -1.02 -4.93 113.70 116.39 1b99 s SER 107 Ca 0.00 0.78 -0.32 0.00 0.48 0.00 0.00 55.95 56.88 1b99 s SER 107 Cb 0.00 -2.18 -0.14 0.00 0.10 0.00 0.00 66.02 63.81 1b99 s SER 107 CO 0.00 -0.45 1.59 0.40 0.98 0.00 0.00 173.24 175.77 1b99 h ILE 108 N 0.55 0.17 -0.68 -1.02 2.04 -1.07 0.69 117.51 118.19 1b99 h ILE 108 Ca -0.48 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 1b99 h ILE 108 Cb 1.21 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 1b99 h ILE 108 CO 0.62 0.00 0.19 0.03 0.00 0.00 0.00 178.15 178.99 1b99 h ARG 109 N -0.80 1.05 -0.60 2.37 3.08 -1.50 -1.62 114.38 116.36 1b99 h ARG 109 Ca -0.02 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1b99 h ARG 109 Cb 0.73 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1b99 h ARG 109 CO -0.11 0.91 0.40 0.78 -1.07 0.00 0.00 179.97 180.88 1b99 h GLY 110 N 1.07 0.82 1.14 0.04 0.00 -1.61 -0.11 103.07 104.42 1b99 h GLY 110 Ca 0.22 -0.29 -0.31 0.00 0.00 0.00 0.00 47.33 46.94 1b99 h GLY 110 CO -0.00 0.27 -1.61 -0.55 0.00 0.00 0.00 176.54 174.65 1b99 h ASP 111 N 0.75 0.34 0.00 0.19 3.32 -0.50 -3.42 116.42 117.10 1b99 h ASP 111 Ca 0.23 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1b99 h ASP 111 Cb 0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1b99 h ASP 111 CO -0.06 1.45 0.00 0.49 -1.72 0.00 0.00 179.24 179.40 1b99 n PHE 112 N -3.41 0.00 -4.07 4.55 3.72 -0.64 -5.08 117.46 112.52 1b99 n PHE 112 Ca -0.18 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.94 1b99 n PHE 112 Cb 1.04 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.57 1.85 0.00 1.37 0.00 -0.06 -5.00 107.32 104.91 1b99 s GLY 113 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1b99 s GLY 113 CO 0.00 -1.13 0.00 1.55 0.00 0.00 0.00 173.10 173.52 1b99 n VAL 114 N 0.02 0.00 -4.42 1.40 3.14 -1.26 -4.26 118.33 112.94 1b99 n VAL 114 Ca -0.09 -0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.07 1b99 n VAL 114 Cb 0.53 0.09 -0.13 0.00 -1.06 0.00 0.00 33.84 33.27 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 -0.26 1.99 0.39 6.55 -1.08 -1.26 -4.51 116.67 118.49 1b99 s ASP 115 Ca 0.00 -0.51 0.21 0.00 -0.52 0.00 0.00 52.55 51.73 1b99 s ASP 115 Cb 0.00 -0.13 0.63 0.00 -1.46 0.00 0.00 42.92 41.95 1b99 s ASP 115 CO 0.00 0.07 1.70 1.62 0.52 0.00 0.00 175.17 179.08 1b99 h VAL 116 N 4.40 0.67 0.00 1.11 3.04 -1.97 -2.92 116.25 120.58 1b99 h VAL 116 Ca -0.40 -1.48 -0.07 0.00 -1.01 0.00 0.00 66.70 63.73 1b99 h VAL 116 Cb 1.17 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.42 1b99 h VAL 116 CO 0.43 0.31 -0.37 1.23 -1.01 0.00 0.00 177.57 178.16 1b99 h GLY 117 N 2.52 0.00 -5.94 3.17 0.00 -1.96 -3.30 103.07 97.56 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 -0.59 0.54 0.00 0.00 0.00 176.54 176.53 1b99 n ARG 118 N -3.18 2.76 -1.29 4.80 5.12 -1.12 -4.91 116.66 118.84 1b99 n ARG 118 Ca 0.02 -4.73 -0.28 0.00 -1.93 0.00 0.00 57.85 50.93 1b99 n ARG 118 Cb 0.67 -2.26 0.12 0.00 -1.16 0.00 0.00 32.46 29.84 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 0.53 5.74 0.00 0.55 0.23 -1.15 -4.15 115.26 117.02 1b99 n ASN 119 Ca 0.30 -3.72 0.00 0.00 -0.53 0.00 0.00 54.58 50.63 1b99 n ASN 119 Cb 0.40 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 37.23 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 -1.01 0.00 -4.05 1.53 -0.00 -1.26 -4.80 119.36 109.77 1b99 n ILE 120 Ca 0.59 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 63.25 1b99 n ILE 120 Cb 1.09 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.63 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 0.27 0.03 1.39 2.07 -1.26 -0.59 121.20 123.10 1b99 s ILE 121 Ca 0.00 -1.32 0.08 0.00 -1.41 0.00 0.00 60.65 58.00 1b99 s ILE 121 Cb 0.00 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1b99 s ILE 121 CO 0.00 -0.68 -0.23 -2.28 -1.91 0.00 0.00 174.94 169.84 1b99 s HIS 122 N -2.44 2.42 -0.03 3.50 5.65 0.38 -4.94 115.29 119.83 1b99 s HIS 122 Ca -0.05 -0.35 -0.04 0.00 0.25 0.00 0.00 55.06 54.86 1b99 s HIS 122 Cb -0.03 -1.44 0.01 0.00 -1.18 0.00 0.00 32.58 29.93 1b99 s HIS 122 CO -0.04 0.14 0.10 0.20 -0.65 0.00 0.00 174.74 174.50 1b99 s GLY 123 N -1.17 -0.03 0.49 1.59 0.00 -1.26 -0.79 107.32 106.15 1b99 s GLY 123 Ca 0.12 0.15 -0.24 0.00 0.00 0.00 0.00 44.72 44.76 1b99 s GLY 123 CO 0.02 0.09 1.38 -0.56 0.00 0.00 0.00 173.10 174.04 1b99 s SER 124 N -0.34 5.63 0.00 1.64 0.01 -0.95 -4.93 113.70 114.76 1b99 s SER 124 Ca -0.04 2.82 0.25 0.00 1.31 0.00 0.00 55.95 60.28 1b99 s SER 124 Cb -0.03 -2.64 0.45 0.00 0.21 0.00 0.00 66.02 64.00 1b99 s SER 124 CO 0.00 -1.33 1.37 -0.90 0.41 0.00 0.00 173.24 172.79 1b99 n ASP 125 N -0.57 1.34 -3.62 2.44 5.68 -1.26 -4.78 116.55 115.77 1b99 n ASP 125 Ca 0.07 -1.08 -0.06 0.00 -0.50 0.00 0.00 54.79 53.23 1b99 n ASP 125 Cb 0.44 0.29 -0.02 0.00 -1.14 0.00 0.00 41.12 40.69 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 -2.54 -0.26 0.41 -1.12 1.04 -1.26 -4.97 113.70 105.00 1b99 s SER 126 Ca 0.21 -0.19 0.09 0.00 0.48 0.00 0.00 55.95 56.55 1b99 s SER 126 Cb 0.19 0.41 0.87 0.00 0.10 0.00 0.00 66.02 67.59 1b99 s SER 126 CO 0.56 -0.72 1.99 0.58 0.98 0.00 0.00 173.24 176.63 1b99 h VAL 127 N 2.00 1.13 -0.20 5.02 2.07 -1.93 0.14 116.25 124.48 1b99 h VAL 127 Ca -0.23 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1b99 h VAL 127 Cb 1.23 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1b99 h VAL 127 CO 0.28 0.16 0.01 -0.33 0.02 0.00 0.00 177.57 177.71 1b99 h GLU 128 N 0.31 0.35 -0.13 1.57 3.07 -1.98 -2.27 114.58 115.50 1b99 h GLU 128 Ca 0.07 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 58.66 1b99 h GLU 128 Cb 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1b99 h GLU 128 CO 0.00 0.53 -0.61 0.66 -1.40 0.00 0.00 179.01 178.19 1b99 h SER 129 N 0.11 0.51 0.24 1.42 4.64 -1.86 -2.83 113.55 115.79 1b99 h SER 129 Ca 0.06 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1b99 h SER 129 Cb 0.37 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1b99 h SER 129 CO 0.01 1.00 -0.15 0.00 -0.87 0.00 0.00 176.83 176.82 1b99 h ALA 130 N 1.00 -0.36 -0.51 5.18 0.00 -0.66 -0.33 119.26 123.57 1b99 h ALA 130 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1b99 h ALA 130 Cb 1.16 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1b99 h ALA 130 CO 0.11 -0.71 0.34 -0.91 0.00 0.00 0.00 179.25 178.07 1b99 h ASN 131 N -0.38 0.47 0.12 0.00 2.35 -1.40 0.67 115.58 117.41 1b99 h ASN 131 Ca -0.02 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1b99 h ASN 131 Cb 0.32 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1b99 h ASN 131 CO 0.02 0.32 -0.06 -0.09 -1.65 0.00 0.00 177.43 175.97 1b99 h ARG 132 N 0.54 -0.16 -0.74 0.81 2.43 -1.21 -3.09 114.38 112.97 1b99 h ARG 132 Ca 0.21 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1b99 h ARG 132 Cb 0.16 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1b99 h ARG 132 CO -0.06 0.29 0.25 0.93 -1.51 0.00 0.00 179.97 179.88 1b99 h GLU 133 N -0.69 1.13 -0.73 0.20 5.08 -0.55 -2.05 114.58 116.96 1b99 h GLU 133 Ca -0.02 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1b99 h GLU 133 Cb 0.52 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1b99 h GLU 133 CO 0.03 0.95 0.44 0.82 -1.00 0.00 0.00 179.01 180.24 1b99 h ILE 134 N 1.08 1.03 0.00 3.13 2.04 -0.97 -0.04 117.51 123.78 1b99 h ILE 134 Ca 0.24 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1b99 h ILE 134 Cb 0.27 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1b99 h ILE 134 CO -0.01 0.15 -0.06 0.00 0.00 0.00 0.00 178.15 178.23 1b99 h ALA 135 N 1.35 1.00 0.09 1.87 0.00 -1.38 0.18 119.26 122.37 1b99 h ALA 135 Ca 0.31 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 1b99 h ALA 135 Cb 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.93 1b99 h ALA 135 CO -0.15 0.07 -0.98 1.25 0.00 0.00 0.00 179.25 179.44 1b99 h LEU 136 N 0.00 0.70 0.00 0.00 6.46 -0.36 -3.38 115.31 118.73 1b99 h LEU 136 Ca -0.00 -0.84 -0.31 0.00 -0.12 0.00 0.00 57.88 56.61 1b99 h LEU 136 Cb 0.64 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 40.29 1b99 h LEU 136 CO 0.01 1.46 -1.93 0.79 -0.62 0.00 0.00 178.44 178.15 1b99 n TRP 137 N -3.98 0.64 -5.12 1.25 7.02 -0.30 -4.97 117.44 111.98 1b99 n TRP 137 Ca -0.13 0.23 -0.31 0.00 -1.02 0.00 0.00 57.50 56.27 1b99 n TRP 137 Cb 0.87 -1.11 -0.15 0.00 -2.42 0.00 0.00 31.31 28.50 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 -2.59 2.42 0.22 -5.99 0.40 0.63 -5.10 117.98 107.98 1b99 s PHE 138 Ca -0.06 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1b99 s PHE 138 Cb 0.07 -1.51 -0.08 0.00 0.51 0.00 0.00 43.02 42.02 1b99 s PHE 138 CO 0.83 0.05 0.60 0.15 0.70 0.00 0.00 175.22 177.55 1b99 s LYS 139 N -0.79 3.93 0.48 0.44 1.02 -1.26 -4.46 119.74 119.10 1b99 s LYS 139 Ca 0.11 0.47 0.26 0.00 0.02 0.00 0.00 55.97 56.82 1b99 s LYS 139 Cb -0.10 -2.71 1.30 0.00 -0.52 0.00 0.00 37.83 35.80 1b99 s LYS 139 CO 0.00 0.34 1.85 -1.35 -0.92 0.00 0.00 175.35 175.28 1b99 h PRO 140 N 2.88 0.18 0.00 -1.68 0.11 -1.95 0.20 132.00 131.74 1b99 h PRO 140 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b99 h PRO 140 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1b99 h PRO 140 CO 0.67 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.51 1b99 h GLU 141 N 0.19 0.00 -0.01 1.05 3.07 -2.03 -2.83 114.58 114.03 1b99 h GLU 141 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1b99 h GLU 141 Cb 1.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 1b99 h GLU 141 CO -0.11 0.00 -0.30 0.39 -1.40 0.00 0.00 179.01 177.60 1b99 n GLU 142 N -2.74 0.68 -4.51 2.33 1.02 0.06 -4.89 120.64 112.59 1b99 n GLU 142 Ca 0.01 -0.39 -0.34 0.00 -0.02 0.00 0.00 57.16 56.41 1b99 n GLU 142 Cb 0.25 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.59 3.34 0.41 -4.62 1.43 -1.07 -4.54 118.68 111.04 1b99 s LEU 143 Ca 0.22 0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.10 1b99 s LEU 143 Cb 0.19 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.58 1b99 s LEU 143 CO 0.55 0.35 1.21 -0.76 0.23 0.00 0.00 176.35 177.93 1b99 s LEU 144 N -0.72 4.17 -0.21 1.79 1.43 -0.47 -4.98 118.68 119.69 1b99 s LEU 144 Ca 0.11 2.43 -0.16 0.00 -1.03 0.00 0.00 54.13 55.47 1b99 s LEU 144 Cb -0.11 -4.02 -0.08 0.00 0.03 0.00 0.00 46.19 42.00 1b99 s LEU 144 CO 0.02 -0.77 -0.33 0.35 0.23 0.00 0.00 176.35 175.85 1b99 n THR 145 N 0.00 1.51 -2.67 5.49 -2.24 -1.26 -4.80 114.28 110.30 1b99 n THR 145 Ca 0.05 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 1b99 n THR 145 Cb 0.46 -2.20 -0.03 0.00 -2.10 0.00 0.00 70.33 66.46 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 -2.75 3.33 -0.10 -0.78 2.02 -1.26 -4.88 118.70 114.28 1b99 s GLU 146 Ca -0.31 -0.15 -0.08 0.00 0.02 0.00 0.00 54.97 54.44 1b99 s GLU 146 Cb 0.07 -4.10 -0.03 0.00 0.10 0.00 0.00 34.13 30.18 1b99 s GLU 146 CO 0.44 -1.78 -0.16 0.28 0.02 0.00 0.00 175.26 174.06 1b99 n VAL 147 N 6.38 0.88 -2.90 2.63 0.31 -1.26 -5.09 118.33 119.27 1b99 n VAL 147 Ca 0.04 0.31 -0.02 0.00 -0.01 0.00 0.00 64.34 64.65 1b99 n VAL 147 Cb 0.48 -2.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.37 1b99 n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1b99 n LYS 148 N -3.67 -2.53 -2.34 5.55 4.76 -1.26 -5.00 118.16 113.67 1b99 n LYS 148 Ca -0.07 2.09 -0.28 0.00 -2.87 0.00 0.00 58.31 57.19 1b99 n LYS 148 Cb 0.24 -2.68 0.02 0.00 -1.84 0.00 0.00 35.03 30.78 1b99 n LYS 148 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1b99 s PRO 149 N -0.47 3.18 0.01 1.97 0.04 -1.26 -5.00 135.00 133.47 1b99 s PRO 149 Ca -0.10 0.21 -0.37 0.00 0.04 0.00 0.00 61.00 60.77 1b99 s PRO 149 Cb 0.01 -2.25 -0.17 0.00 0.04 0.00 0.00 34.50 32.13 1b99 s PRO 149 CO 0.34 -0.58 1.42 -1.71 0.04 0.00 0.00 177.00 176.51 1b99 n ASN 150 N -2.56 1.76 0.09 6.66 2.85 -1.26 -4.84 115.26 117.96 1b99 n ASN 150 Ca 0.04 1.11 0.09 0.00 -0.11 0.00 0.00 54.58 55.71 1b99 n ASN 150 Cb 0.56 -1.17 0.40 0.00 1.24 0.00 0.00 39.78 40.80 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 3.07 0.11 -0.03 1.20 -0.04 -1.26 -1.78 135.00 136.27 1b99 n PRO 151 Ca 0.20 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 1b99 n PRO 151 Cb 0.18 -1.75 0.55 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.96 1.08 -0.13 3.54 3.02 -1.26 -3.83 115.26 115.72 1b99 n ASN 152 Ca 0.01 -1.47 -0.20 0.00 -0.03 0.00 0.00 54.58 52.89 1b99 n ASN 152 Cb 0.13 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.12 2.79 -4.49 3.41 4.77 -0.73 -5.00 117.00 117.64 1b99 n LEU 153 Ca 0.18 -0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.80 1b99 n LEU 153 Cb 0.26 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.33 1b99 n LEU 153 CO 0.15 0.87 -0.47 -0.31 -1.33 0.00 0.00 177.39 176.30 1b99 s TYR 154 N -2.52 2.64 -2.17 -1.77 2.02 -1.25 -5.13 117.35 109.18 1b99 s TYR 154 Ca -0.35 -0.21 0.31 0.00 -0.37 0.00 0.00 57.07 56.45 1b99 s TYR 154 Cb 0.10 -1.50 1.62 0.00 -0.40 0.00 0.00 41.96 41.78 1b99 s TYR 154 CO 0.59 0.27 2.07 -1.91 -1.57 0.00 0.00 175.55 175.00