#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4s n ASN 7 N 0.00 1.43 -0.64 6.55 2.04 -1.26 -4.01 115.26 119.37 1b4s n ASN 7 Ca 0.00 -1.99 0.08 0.00 -0.44 0.00 0.00 54.58 52.23 1b4s n ASN 7 Cb 0.00 -0.57 0.20 0.00 -2.53 0.00 0.00 39.78 36.88 1b4s n ASN 7 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1b4s n LYS 8 N 4.23 2.62 -1.72 -3.83 5.02 -1.26 -3.84 118.16 119.37 1b4s n LYS 8 Ca 0.13 -2.57 -0.42 0.00 -2.02 0.00 0.00 58.31 53.43 1b4s n LYS 8 Cb 0.08 -1.63 -0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1b4s n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1b4s n GLU 9 N -0.50 2.25 -4.28 1.97 2.13 -1.25 -4.63 120.64 116.32 1b4s n GLU 9 Ca 0.17 0.79 -0.20 0.00 0.66 0.00 0.00 57.16 58.58 1b4s n GLU 9 Cb 0.72 -2.43 -0.13 0.00 0.27 0.00 0.00 31.44 29.87 1b4s n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1b4s s ARG 10 N -2.00 0.94 0.11 5.31 0.52 -1.26 0.13 118.95 122.71 1b4s s ARG 10 Ca 0.56 -0.92 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 1b4s s ARG 10 Cb -0.53 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.90 1b4s s ARG 10 CO 0.62 0.24 -0.13 -0.08 0.02 0.00 0.00 175.30 175.96 1b4s s THR 11 N -1.08 1.21 -0.14 0.02 -1.32 -0.49 -4.63 115.64 109.22 1b4s s THR 11 Ca 0.01 -1.65 -0.06 0.00 -1.21 0.00 0.00 61.69 58.79 1b4s s THR 11 Cb -0.09 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.43 1b4s s THR 11 CO 0.02 -0.43 0.07 0.12 -2.21 0.00 0.00 174.62 172.20 1b4s s PHE 12 N -2.11 3.35 0.08 9.09 5.36 -1.26 -2.16 117.98 130.32 1b4s s PHE 12 Ca 0.07 0.27 0.03 0.00 -0.96 0.00 0.00 56.93 56.33 1b4s s PHE 12 Cb -0.05 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.64 1b4s s PHE 12 CO 0.02 0.44 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.63 1b4s s LEU 13 N -0.45 2.38 -0.17 6.12 1.43 0.13 -2.15 118.68 125.98 1b4s s LEU 13 Ca 0.10 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 1b4s s LEU 13 Cb -0.12 -0.21 0.08 0.00 0.03 0.00 0.00 46.19 45.97 1b4s s LEU 13 CO 0.02 -0.29 0.36 0.00 0.23 0.00 0.00 176.35 176.66 1b4s s ALA 14 N -2.38 -0.91 -0.39 4.21 0.00 -0.59 -0.78 121.76 120.91 1b4s s ALA 14 Ca 0.02 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.95 1b4s s ALA 14 Cb -0.03 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.88 1b4s s ALA 14 CO -0.01 -0.73 1.39 0.08 0.00 0.00 0.00 175.76 176.49 1b4s s VAL 15 N 2.54 3.95 1.14 0.00 1.01 -0.50 -1.32 120.40 127.21 1b4s s VAL 15 Ca -0.00 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.85 1b4s s VAL 15 Cb -0.12 -4.20 0.27 0.00 0.00 0.00 0.00 36.38 32.33 1b4s s VAL 15 CO -0.11 -0.70 1.04 -0.54 0.00 0.00 0.00 175.10 174.78 1b4s s LYS 16 N 4.78 -0.72 0.45 2.72 1.02 0.17 -2.49 119.74 125.67 1b4s s LYS 16 Ca 0.60 0.87 0.20 0.00 0.02 0.00 0.00 55.97 57.66 1b4s s LYS 16 Cb -0.14 -1.57 1.16 0.00 -0.52 0.00 0.00 37.83 36.75 1b4s s LYS 16 CO 0.31 -3.60 1.90 -1.35 -0.92 0.00 0.00 175.35 171.69 1b4s h PRO 17 N -2.54 0.30 -0.23 -1.68 0.11 -1.83 -0.86 132.00 125.27 1b4s h PRO 17 Ca -0.60 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.32 1b4s h PRO 17 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1b4s h PRO 17 CO 0.50 0.20 -0.52 0.38 -0.21 0.00 0.00 178.00 178.35 1b4s h ASP 18 N 0.31 0.86 -0.54 -2.05 2.03 -1.87 0.07 116.42 115.23 1b4s h ASP 18 Ca 0.40 -0.55 -0.06 0.00 -0.73 0.00 0.00 57.03 56.09 1b4s h ASP 18 Cb 1.10 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 39.33 1b4s h ASP 18 CO -0.11 1.26 0.12 1.23 -1.03 0.00 0.00 179.24 180.70 1b4s h GLY 19 N 0.50 0.94 0.80 7.15 0.00 -1.53 0.30 103.07 111.23 1b4s h GLY 19 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1b4s h GLY 19 CO 0.11 0.56 0.01 -2.08 0.00 0.00 0.00 176.54 175.15 1b4s h VAL 20 N 0.77 1.19 -0.21 4.60 2.07 -1.16 -1.57 116.25 121.93 1b4s h VAL 20 Ca 0.17 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1b4s h VAL 20 Cb 0.36 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1b4s h VAL 20 CO 0.00 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1b4s h ALA 21 N 0.80 1.57 -0.07 1.67 0.00 -0.85 -1.71 119.26 120.68 1b4s h ALA 21 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1b4s h ALA 21 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1b4s h ALA 21 CO 0.00 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.10 1b4s n ARG 22 N -4.34 1.21 -3.32 0.00 1.74 0.11 -4.92 116.66 107.14 1b4s n ARG 22 Ca 0.00 -0.33 -0.20 0.00 -0.77 0.00 0.00 57.85 56.56 1b4s n ARG 22 Cb 0.21 -1.23 0.06 0.00 -1.02 0.00 0.00 32.46 30.48 1b4s n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b4s n GLY 23 N 0.80 -0.29 0.82 -0.13 0.00 -0.64 -4.94 105.19 100.81 1b4s n GLY 23 Ca 0.10 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1b4s n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b4s n LEU 24 N -4.08 3.75 0.01 0.99 4.77 -0.61 -4.68 117.00 117.16 1b4s n LEU 24 Ca -0.01 -3.03 -0.13 0.00 -0.03 0.00 0.00 56.01 52.81 1b4s n LEU 24 Cb 0.56 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1b4s n LEU 24 CO 0.51 0.68 0.68 0.58 -1.33 0.00 0.00 177.39 178.52 1b4s h VAL 25 N 1.63 1.23 -0.70 4.08 2.07 -1.87 -2.33 116.25 120.37 1b4s h VAL 25 Ca 0.00 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1b4s h VAL 25 Cb 1.41 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 1b4s h VAL 25 CO 0.21 0.21 0.25 1.23 0.02 0.00 0.00 177.57 179.48 1b4s h GLY 26 N -0.40 1.13 0.85 2.17 0.00 -1.97 -1.91 103.07 102.95 1b4s h GLY 26 Ca -0.00 -0.63 0.01 0.00 0.00 0.00 0.00 47.33 46.71 1b4s h GLY 26 CO 0.01 0.59 -0.02 -2.09 0.00 0.00 0.00 176.54 175.03 1b4s h GLU 27 N 1.02 -0.00 -0.09 4.80 4.57 -1.86 0.10 114.58 123.12 1b4s h GLU 27 Ca 0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1b4s h GLU 27 Cb 0.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1b4s h GLU 27 CO -0.01 -0.00 0.03 0.82 -1.18 0.00 0.00 179.01 178.67 1b4s h ILE 28 N -0.00 1.16 -0.72 2.32 2.04 -1.27 -1.76 117.51 119.27 1b4s h ILE 28 Ca 0.04 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1b4s h ILE 28 Cb 0.06 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1b4s h ILE 28 CO -0.08 0.14 0.41 0.40 0.00 0.00 0.00 178.15 179.03 1b4s h ILE 29 N -0.02 1.21 -0.52 -0.67 2.04 -1.24 -1.99 117.51 116.31 1b4s h ILE 29 Ca 0.03 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 1b4s h ILE 29 Cb 0.19 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1b4s h ILE 29 CO -0.00 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.39 1b4s h ALA 30 N 1.45 1.03 -0.44 1.87 0.00 -0.60 -0.34 119.26 122.23 1b4s h ALA 30 Ca 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1b4s h ALA 30 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1b4s h ALA 30 CO -0.04 0.60 0.08 0.00 0.00 0.00 0.00 179.25 179.89 1b4s h ARG 31 N 0.82 0.67 0.00 0.00 3.08 -0.56 0.41 114.38 118.81 1b4s h ARG 31 Ca 0.16 -0.13 -0.22 0.00 0.07 0.00 0.00 59.98 59.86 1b4s h ARG 31 Cb 0.47 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1b4s h ARG 31 CO 0.02 0.63 -1.07 1.88 -1.07 0.00 0.00 179.97 180.36 1b4s h TYR 32 N 0.65 0.02 -0.28 3.04 0.05 -1.25 -2.86 116.97 116.32 1b4s h TYR 32 Ca 0.14 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.75 1b4s h TYR 32 Cb 0.28 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1b4s h TYR 32 CO 0.01 1.01 -0.44 0.93 -1.05 0.00 0.00 178.16 178.62 1b4s h GLU 33 N 0.00 0.80 -0.78 4.88 5.08 -0.68 -2.21 114.58 121.67 1b4s h GLU 33 Ca -0.04 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1b4s h GLU 33 Cb 1.80 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.06 1b4s h GLU 33 CO 0.13 1.11 0.47 0.87 -1.00 0.00 0.00 179.01 180.60 1b4s h LYS 34 N 0.56 1.05 -0.02 2.33 6.56 -0.99 -2.73 116.57 123.33 1b4s h LYS 34 Ca 0.03 -0.09 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 1b4s h LYS 34 Cb 1.04 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 32.47 1b4s h LYS 34 CO 0.10 0.73 -0.27 -0.22 -2.06 0.00 0.00 179.45 177.73 1b4s h LYS 35 N 1.07 0.03 0.00 3.15 1.63 -1.41 -3.47 116.57 117.57 1b4s h LYS 35 Ca 0.28 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1b4s h LYS 35 Cb -0.06 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1b4s h LYS 35 CO -0.05 0.29 0.00 0.41 -3.45 0.00 0.00 179.45 176.65 1b4s n GLY 36 N -0.74 1.11 3.76 5.01 0.00 -1.03 -5.11 105.19 108.18 1b4s n GLY 36 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1b4s n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b4s s PHE 37 N -2.00 3.91 -0.17 1.61 0.08 -0.85 -4.79 117.98 115.78 1b4s s PHE 37 Ca 0.00 1.75 -0.11 0.00 0.12 0.00 0.00 56.93 58.69 1b4s s PHE 37 Cb 0.00 -2.89 -0.05 0.00 -0.57 0.00 0.00 43.02 39.52 1b4s s PHE 37 CO 0.00 0.44 0.19 0.08 -0.10 0.00 0.00 175.22 175.83 1b4s s VAL 38 N -0.93 5.38 -0.36 -0.44 1.01 -1.01 -4.40 120.40 119.65 1b4s s VAL 38 Ca 0.39 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 1b4s s VAL 38 Cb -0.24 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1b4s s VAL 38 CO 0.29 0.46 1.31 -0.22 0.00 0.00 0.00 175.10 176.94 1b4s s LEU 39 N 0.09 3.75 0.00 3.92 2.96 -1.26 -0.63 118.68 127.51 1b4s s LEU 39 Ca 0.12 0.98 0.15 0.00 -0.22 0.00 0.00 54.13 55.17 1b4s s LEU 39 Cb -0.12 -3.54 0.25 0.00 0.50 0.00 0.00 46.19 43.27 1b4s s LEU 39 CO 0.01 -1.21 1.14 1.33 -1.32 0.00 0.00 176.35 176.30 1b4s n VAL 40 N 6.56 0.39 -3.61 1.68 0.24 -0.40 -4.93 118.33 118.27 1b4s n VAL 40 Ca 0.15 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.34 61.63 1b4s n VAL 40 Cb 0.47 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 1b4s n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1b4s s GLY 41 N -1.19 -0.33 -0.29 7.63 0.00 -1.16 -0.38 107.32 111.61 1b4s s GLY 41 Ca 0.24 2.23 -0.17 0.00 0.00 0.00 0.00 44.72 47.02 1b4s s GLY 41 CO 0.21 1.57 0.93 -2.27 0.00 0.00 0.00 173.10 173.53 1b4s s LEU 42 N -0.14 -0.59 0.05 0.66 2.96 -1.26 -2.07 118.68 118.30 1b4s s LEU 42 Ca -0.00 0.95 -0.27 0.00 -0.22 0.00 0.00 54.13 54.59 1b4s s LEU 42 Cb -0.04 1.87 0.08 0.00 0.50 0.00 0.00 46.19 48.61 1b4s s LEU 42 CO -0.01 -0.15 0.74 -1.59 -1.32 0.00 0.00 176.35 174.02 1b4s s LYS 43 N 1.32 1.04 -0.14 1.98 -2.85 -0.13 -5.01 119.74 115.95 1b4s s LYS 43 Ca -0.08 -0.24 0.01 0.00 -1.00 0.00 0.00 55.97 54.65 1b4s s LYS 43 Cb -0.04 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 1b4s s LYS 43 CO -0.15 -0.43 -0.15 -1.14 0.10 0.00 0.00 175.35 173.58 1b4s s GLN 44 N -2.89 3.26 0.21 1.78 0.74 -1.26 -0.09 119.66 121.42 1b4s s GLN 44 Ca -0.00 -0.74 -0.11 0.00 0.05 0.00 0.00 55.36 54.56 1b4s s GLN 44 Cb -0.01 -2.59 -0.01 0.00 1.10 0.00 0.00 33.01 31.51 1b4s s GLN 44 CO -0.07 0.12 0.38 -0.48 -0.55 0.00 0.00 175.29 174.69 1b4s s LEU 45 N 0.57 0.58 -0.53 3.68 2.34 -0.61 -4.96 118.68 119.75 1b4s s LEU 45 Ca -0.09 -0.92 -0.08 0.00 0.06 0.00 0.00 54.13 53.10 1b4s s LEU 45 Cb -0.16 1.48 0.14 0.00 -0.56 0.00 0.00 46.19 47.08 1b4s s LEU 45 CO 0.04 -1.02 0.40 -0.69 -1.06 0.00 0.00 176.35 174.01 1b4s s VAL 46 N -4.00 4.23 0.20 1.48 1.01 -1.26 -0.88 120.40 121.18 1b4s s VAL 46 Ca 0.21 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 1b4s s VAL 46 Cb 0.01 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.47 1b4s s VAL 46 CO 0.05 -0.82 0.87 -2.65 0.00 0.00 0.00 175.10 172.56 1b4s n PRO 47 N 4.56 0.69 -3.18 2.72 -0.02 -1.26 -4.96 135.00 133.55 1b4s n PRO 47 Ca -0.03 0.24 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 1b4s n PRO 47 Cb 0.41 -1.52 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 1b4s n PRO 47 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1b4s s THR 48 N -0.75 4.67 0.47 3.45 2.01 -1.26 -4.47 115.64 119.76 1b4s s THR 48 Ca 0.67 1.13 0.26 0.00 0.31 0.00 0.00 61.69 64.06 1b4s s THR 48 Cb -0.87 -3.81 0.46 0.00 0.01 0.00 0.00 72.50 68.29 1b4s s THR 48 CO 0.56 0.21 1.81 0.50 -0.69 0.00 0.00 174.62 177.01 1b4s h LYS 49 N 3.44 0.20 -0.20 4.92 3.64 -1.93 0.27 116.57 126.90 1b4s h LYS 49 Ca -0.48 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 1b4s h LYS 49 Cb 1.19 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1b4s h LYS 49 CO 0.65 0.13 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.29 1b4s h ASP 50 N 0.20 0.56 -0.26 4.20 5.19 -1.98 0.47 116.42 124.81 1b4s h ASP 50 Ca 0.55 -0.49 -0.12 0.00 -0.62 0.00 0.00 57.03 56.35 1b4s h ASP 50 Cb 1.76 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 41.11 1b4s h ASP 50 CO -0.15 0.94 -0.30 0.25 -3.12 0.00 0.00 179.24 176.86 1b4s h LEU 51 N 0.19 0.71 -0.58 1.55 5.85 -1.32 -1.35 115.31 120.36 1b4s h LEU 51 Ca 0.03 -0.49 0.01 0.00 0.84 0.00 0.00 57.88 58.27 1b4s h LEU 51 Cb 0.80 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1b4s h LEU 51 CO 0.06 1.06 0.38 0.00 -0.34 0.00 0.00 178.44 179.59 1b4s h ALA 52 N 0.68 0.74 -0.41 1.25 0.00 -0.59 0.50 119.26 121.42 1b4s h ALA 52 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1b4s h ALA 52 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1b4s h ALA 52 CO 0.07 0.16 -0.15 0.93 0.00 0.00 0.00 179.25 180.26 1b4s h GLU 53 N 0.77 0.76 0.21 0.00 5.08 -0.80 0.30 114.58 120.90 1b4s h GLU 53 Ca 0.22 -0.27 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1b4s h GLU 53 Cb -0.07 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.15 1b4s h GLU 53 CO -0.05 0.87 -1.39 0.66 -1.00 0.00 0.00 179.01 178.09 1b4s h SER 54 N 0.68 0.75 -0.31 1.42 4.64 -1.11 -1.55 113.55 118.08 1b4s h SER 54 Ca 0.11 -0.78 0.07 0.00 -0.47 0.00 0.00 61.79 60.72 1b4s h SER 54 Cb 0.64 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 62.40 1b4s h SER 54 CO 0.04 1.61 -0.29 -0.74 -0.87 0.00 0.00 176.83 176.58 1b4s h HIS 55 N 0.15 -0.80 -0.96 4.77 -0.00 0.27 -1.26 115.15 117.32 1b4s h HIS 55 Ca -0.22 0.05 -0.55 0.00 -0.00 0.00 0.00 60.37 59.65 1b4s h HIS 55 Cb 2.09 0.40 -0.29 0.00 -0.00 0.00 0.00 27.41 29.61 1b4s h HIS 55 CO 0.11 -0.36 0.71 0.66 -0.00 0.00 0.00 177.93 179.05 1b4s n TYR 56 N -5.40 3.01 -0.07 5.26 4.01 0.07 -4.64 117.16 119.39 1b4s n TYR 56 Ca -0.00 -2.21 0.19 0.00 -0.16 0.00 0.00 57.90 55.73 1b4s n TYR 56 Cb 0.32 -1.10 0.63 0.00 -0.31 0.00 0.00 39.34 38.88 1b4s n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b4s h ALA 57 N 1.37 2.41 0.00 -0.72 0.00 -0.14 -1.29 119.26 120.88 1b4s h ALA 57 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1b4s h ALA 57 Cb 2.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1b4s h ALA 57 CO 1.23 -0.59 0.00 1.05 0.00 0.00 0.00 179.25 180.94 1b4s h GLU 58 N 0.14 0.00 -0.47 0.00 4.11 -1.83 -2.53 114.58 114.00 1b4s h GLU 58 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1b4s h GLU 58 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1b4s h GLU 58 CO -0.04 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.76 1b4s n HIS 59 N -2.76 0.63 0.16 2.06 8.25 -0.49 -4.63 115.22 118.44 1b4s n HIS 59 Ca 0.01 -0.49 0.18 0.00 -0.26 0.00 0.00 57.72 57.16 1b4s n HIS 59 Cb 0.27 -0.02 0.79 0.00 1.12 0.00 0.00 29.99 32.16 1b4s n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1b4s h LYS 60 N 2.78 0.00 0.00 -0.41 2.10 -1.41 -1.16 116.57 118.48 1b4s h LYS 60 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 1b4s h LYS 60 Cb 0.82 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.11 1b4s h LYS 60 CO 0.00 0.00 -1.75 0.39 -2.00 0.00 0.00 179.45 176.09 1b4s n GLU 61 N -3.75 0.64 -1.92 0.07 4.71 -1.26 -4.94 120.64 114.19 1b4s n GLU 61 Ca 0.04 0.11 -0.41 0.00 -0.01 0.00 0.00 57.16 56.89 1b4s n GLU 61 Cb 0.45 -1.70 -0.00 0.00 -1.01 0.00 0.00 31.44 29.18 1b4s n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1b4s s ARG 62 N -2.89 4.11 0.46 3.49 1.81 -0.44 -4.92 118.95 120.57 1b4s s ARG 62 Ca -0.05 2.41 0.28 0.00 -1.72 0.00 0.00 55.73 56.65 1b4s s ARG 62 Cb 0.09 -2.93 1.54 0.00 -0.45 0.00 0.00 34.95 33.20 1b4s s ARG 62 CO 0.83 -0.47 1.86 -1.00 -0.68 0.00 0.00 175.30 175.84 1b4s h PRO 63 N 2.99 0.00 0.00 3.54 0.13 -1.92 -2.46 132.00 134.28 1b4s h PRO 63 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1b4s h PRO 63 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1b4s h PRO 63 CO 0.64 0.00 -0.54 1.97 -0.23 0.00 0.00 178.00 179.84 1b4s n PHE 64 N -2.54 0.00 -0.21 1.56 1.16 -1.26 -4.45 117.46 111.72 1b4s n PHE 64 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.49 1b4s n PHE 64 Cb 0.12 -0.24 -0.02 0.00 -1.61 0.00 0.00 39.48 37.73 1b4s n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1b4s h PHE 65 N 0.00 -1.20 -0.22 2.97 3.04 -1.65 -1.49 116.94 118.40 1b4s h PHE 65 Ca 0.00 0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.08 1b4s h PHE 65 Cb 0.50 0.61 -0.06 0.00 2.56 0.00 0.00 35.95 39.56 1b4s h PHE 65 CO 0.00 -0.41 -0.15 0.78 -2.02 0.00 0.00 178.31 176.51 1b4s h GLY 66 N -0.21 0.00 2.00 2.40 0.00 -1.82 0.09 103.07 105.53 1b4s h GLY 66 Ca 0.19 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.66 1b4s h GLY 66 CO -0.69 -0.16 -0.25 -1.33 0.00 0.00 0.00 176.54 174.11 1b4s h GLY 67 N -0.15 0.00 0.44 4.60 0.00 -1.77 -2.41 103.07 103.79 1b4s h GLY 67 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1b4s h GLY 67 CO -0.30 0.00 -0.11 -2.00 0.00 0.00 0.00 176.54 174.13 1b4s h LEU 68 N 0.00 -0.25 -0.82 3.11 5.85 -0.56 -1.40 115.31 121.24 1b4s h LEU 68 Ca -0.00 -0.28 0.12 0.00 0.84 0.00 0.00 57.88 58.56 1b4s h LEU 68 Cb 0.58 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 1b4s h LEU 68 CO 0.03 0.24 0.43 0.58 -0.34 0.00 0.00 178.44 179.39 1b4s h VAL 69 N -0.86 0.82 -0.05 1.05 2.07 -0.98 -0.67 116.25 117.62 1b4s h VAL 69 Ca -0.03 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1b4s h VAL 69 Cb 0.51 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1b4s h VAL 69 CO 0.05 0.12 -0.46 0.28 0.02 0.00 0.00 177.57 177.59 1b4s h SER 70 N 0.68 0.14 0.11 0.57 0.02 -1.44 -2.86 113.55 110.77 1b4s h SER 70 Ca 0.42 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1b4s h SER 70 Cb 0.49 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1b4s h SER 70 CO -0.30 0.58 -0.05 0.15 -1.14 0.00 0.00 176.83 176.06 1b4s h PHE 71 N 0.11 -0.14 -0.35 3.45 3.57 -0.02 -2.30 116.94 121.26 1b4s h PHE 71 Ca 0.01 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1b4s h PHE 71 Cb 0.85 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 1b4s h PHE 71 CO 0.01 0.36 0.29 0.97 -2.23 0.00 0.00 178.31 177.71 1b4s h ILE 72 N -0.83 0.65 -0.01 1.41 6.09 -1.24 0.84 117.51 124.42 1b4s h ILE 72 Ca -0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1b4s h ILE 72 Cb 0.56 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.64 1b4s h ILE 72 CO 0.03 0.00 -0.32 0.35 -3.07 0.00 0.00 178.15 175.13 1b4s n THR 73 N -4.15 0.00 -0.30 2.19 -2.24 -1.08 -4.36 114.28 104.34 1b4s n THR 73 Ca 0.06 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 1b4s n THR 73 Cb 0.46 0.90 0.07 0.00 -2.10 0.00 0.00 70.33 69.67 1b4s n THR 73 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1b4s h SER 74 N 2.17 1.00 -1.24 3.42 4.64 -0.22 -3.45 113.55 119.88 1b4s h SER 74 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1b4s h SER 74 Cb 0.67 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1b4s h SER 74 CO 0.00 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1b4s n GLY 75 N -1.18 2.59 3.62 -0.77 0.00 -1.26 -5.11 105.19 103.08 1b4s n GLY 75 Ca 0.08 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 1b4s n GLY 75 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1b4s n PRO 76 N 0.00 1.30 -3.89 1.61 -0.02 -1.26 -4.51 135.00 128.23 1b4s n PRO 76 Ca 0.00 0.47 -0.15 0.00 -2.02 0.00 0.00 63.50 61.81 1b4s n PRO 76 Cb 0.00 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 1b4s n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1b4s s VAL 77 N -1.34 0.08 -0.42 -1.45 1.01 -0.06 -3.54 120.40 114.69 1b4s s VAL 77 Ca 0.66 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 1b4s s VAL 77 Cb -0.51 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 35.78 1b4s s VAL 77 CO 0.54 0.09 0.27 0.68 0.00 0.00 0.00 175.10 176.68 1b4s s VAL 78 N 0.63 4.55 0.26 2.92 -7.23 -1.04 -1.58 120.40 118.92 1b4s s VAL 78 Ca -0.06 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 1b4s s VAL 78 Cb -0.08 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.07 1b4s s VAL 78 CO -0.01 -0.44 0.78 0.00 -0.31 0.00 0.00 175.10 175.11 1b4s s ALA 79 N 1.51 3.34 0.06 1.32 0.00 0.88 -1.42 121.76 127.45 1b4s s ALA 79 Ca 0.03 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.00 1b4s s ALA 79 Cb -0.22 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1b4s s ALA 79 CO 0.04 0.29 0.52 0.00 0.00 0.00 0.00 175.76 176.61 1b4s s MET 80 N -2.17 1.05 -0.09 0.00 0.23 0.04 -0.95 119.30 117.40 1b4s s MET 80 Ca 0.47 -0.27 0.00 0.00 -1.03 0.00 0.00 55.69 54.87 1b4s s MET 80 Cb -0.16 0.48 0.02 0.00 -1.53 0.00 0.00 34.83 33.64 1b4s s MET 80 CO 0.21 -0.39 -0.08 0.54 -2.03 0.00 0.00 175.02 173.27 1b4s s VAL 81 N -2.57 0.97 -0.07 5.16 0.11 -0.88 0.20 120.40 123.32 1b4s s VAL 81 Ca -0.05 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1b4s s VAL 81 Cb -0.01 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1b4s s VAL 81 CO -0.03 0.34 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.65 1b4s s PHE 82 N 1.33 2.92 -0.05 1.54 0.08 -0.92 -1.27 117.98 121.61 1b4s s PHE 82 Ca -0.02 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.01 1b4s s PHE 82 Cb -0.14 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.56 1b4s s PHE 82 CO -0.04 0.28 -0.08 -2.00 -0.10 0.00 0.00 175.22 173.28 1b4s s GLU 83 N -0.69 2.66 0.00 0.44 2.12 0.20 -1.40 118.70 122.03 1b4s s GLU 83 Ca 0.10 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1b4s s GLU 83 Cb -0.11 -2.53 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1b4s s GLU 83 CO 0.02 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 1b4s n GLY 84 N 2.05 1.91 3.62 -1.50 0.00 0.12 -2.40 105.19 108.99 1b4s n GLY 84 Ca -0.17 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1b4s n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b4s s LYS 85 N -2.00 3.47 -1.87 1.61 2.20 -1.25 -2.19 119.74 119.71 1b4s s LYS 85 Ca 0.00 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.68 1b4s s LYS 85 Cb 0.00 -4.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 1b4s s LYS 85 CO 0.00 -1.72 0.00 0.41 -0.36 0.00 0.00 175.35 173.68 1b4s n GLY 86 N 5.31 1.17 0.38 5.54 0.00 -1.26 -4.90 105.19 111.43 1b4s n GLY 86 Ca 0.26 -0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1b4s n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b4s h VAL 87 N 0.00 0.82 0.52 1.61 3.04 -1.74 0.10 116.25 120.60 1b4s h VAL 87 Ca -0.40 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.06 1b4s h VAL 87 Cb 1.25 0.18 0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1b4s h VAL 87 CO 0.55 0.11 -0.25 0.58 -1.01 0.00 0.00 177.57 177.55 1b4s h VAL 88 N 0.59 0.45 -0.33 1.51 2.07 -1.86 0.25 116.25 118.92 1b4s h VAL 88 Ca 0.42 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.60 1b4s h VAL 88 Cb 0.78 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1b4s h VAL 88 CO -0.17 0.04 -0.28 0.00 0.02 0.00 0.00 177.57 177.17 1b4s h ALA 89 N -0.45 0.89 -0.02 1.67 0.00 -1.80 -2.82 119.26 116.73 1b4s h ALA 89 Ca -0.07 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1b4s h ALA 89 Cb 0.60 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1b4s h ALA 89 CO 0.12 0.62 -0.00 1.03 0.00 0.00 0.00 179.25 181.02 1b4s h SER 90 N 0.58 0.04 -0.85 0.00 0.87 -0.76 -2.02 113.55 111.43 1b4s h SER 90 Ca 0.07 -0.34 0.13 0.00 -1.23 0.00 0.00 61.79 60.42 1b4s h SER 90 Cb 0.78 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.66 1b4s h SER 90 CO 0.06 0.37 0.55 0.00 -0.53 0.00 0.00 176.83 177.29 1b4s h ALA 91 N 0.67 1.85 -0.30 6.23 0.00 -0.52 0.75 119.26 127.94 1b4s h ALA 91 Ca 0.01 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1b4s h ALA 91 Cb 0.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1b4s h ALA 91 CO 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.10 1b4s h ARG 92 N 0.67 0.58 -0.82 0.00 3.08 -1.33 -1.47 114.38 115.08 1b4s h ARG 92 Ca 0.42 -0.23 0.02 0.00 0.07 0.00 0.00 59.98 60.26 1b4s h ARG 92 Cb 0.66 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.63 1b4s h ARG 92 CO -0.18 0.78 0.54 1.25 -1.07 0.00 0.00 179.97 181.29 1b4s h LEU 93 N 0.34 0.90 -1.10 3.04 5.85 -0.43 -0.63 115.31 123.29 1b4s h LEU 93 Ca 0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1b4s h LEU 93 Cb 0.58 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1b4s h LEU 93 CO 0.03 0.64 0.00 0.24 -0.34 0.00 0.00 178.44 179.01 1b4s h MET 94 N 1.06 0.00 0.16 1.25 2.86 -0.69 -3.07 114.93 116.51 1b4s h MET 94 Ca 0.32 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.72 1b4s h MET 94 Cb -0.05 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.63 1b4s h MET 94 CO -0.09 0.00 -1.07 0.82 1.06 0.00 0.00 176.91 177.63 1b4s h ILE 95 N 0.00 1.37 0.00 -1.22 2.04 -0.07 0.45 117.51 120.07 1b4s h ILE 95 Ca 0.00 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.32 1b4s h ILE 95 Cb 0.54 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1b4s h ILE 95 CO 0.00 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.49 1b4s n GLY 96 N 1.70 0.39 3.40 5.37 0.00 -0.56 -0.89 105.19 114.59 1b4s n GLY 96 Ca -0.17 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.01 1b4s n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b4s s VAL 97 N 0.00 1.71 0.37 1.61 -7.23 -1.26 -4.74 120.40 110.86 1b4s s VAL 97 Ca 0.00 -2.17 0.17 0.00 -1.81 0.00 0.00 61.98 58.17 1b4s s VAL 97 Cb 0.00 -2.30 0.37 0.00 0.56 0.00 0.00 36.38 35.01 1b4s s VAL 97 CO 0.00 -0.41 1.72 0.74 -0.31 0.00 0.00 175.10 176.84 1b4s h THR 98 N 2.38 0.43 -3.58 5.32 2.02 -1.98 -3.30 112.91 114.19 1b4s h THR 98 Ca -0.39 -0.13 -0.66 0.00 0.77 0.00 0.00 66.41 66.00 1b4s h THR 98 Cb 1.23 0.01 -0.16 0.00 -1.74 0.00 0.00 68.15 67.50 1b4s h THR 98 CO 0.65 0.07 0.07 0.21 0.37 0.00 0.00 175.52 176.89 1b4s s ASN 99 N -5.07 6.31 0.40 4.18 3.04 -1.26 -4.66 114.94 117.88 1b4s s ASN 99 Ca -0.09 -0.34 0.13 0.00 0.04 0.00 0.00 52.86 52.60 1b4s s ASN 99 Cb 0.27 -2.30 0.96 0.00 -1.54 0.00 0.00 41.25 38.64 1b4s s ASN 99 CO 0.80 -0.72 1.92 -0.65 -3.04 0.00 0.00 177.10 175.41 1b4s h PRO 100 N 8.81 0.50 -0.17 0.43 0.11 -1.80 -2.02 132.00 137.86 1b4s h PRO 100 Ca -0.26 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 1b4s h PRO 100 Cb 1.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1b4s h PRO 100 CO 0.87 0.33 -0.38 -0.07 -0.21 0.00 0.00 178.00 178.54 1b4s h LEU 101 N 0.52 0.38 -0.08 2.35 3.38 -1.74 -2.58 115.31 117.54 1b4s h LEU 101 Ca 0.37 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1b4s h LEU 101 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1b4s h LEU 101 CO -0.13 0.73 -0.17 0.00 0.09 0.00 0.00 178.44 178.95 1b4s n ALA 102 N -2.48 2.81 -2.24 1.53 0.00 -0.80 -4.83 120.51 114.49 1b4s n ALA 102 Ca -0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 1b4s n ALA 102 Cb 0.47 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 1b4s n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b4s s SER 103 N -2.82 7.37 0.41 0.00 0.01 -0.94 -4.80 113.70 112.94 1b4s s SER 103 Ca 0.18 1.91 -0.24 0.00 1.31 0.00 0.00 55.95 59.12 1b4s s SER 103 Cb 0.19 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.74 1b4s s SER 103 CO 0.56 -0.17 1.06 0.00 0.41 0.00 0.00 173.24 175.10 1b4s s ALA 104 N 0.08 3.06 0.31 1.44 0.00 -1.26 -4.20 121.76 121.19 1b4s s ALA 104 Ca 0.49 0.72 -0.29 0.00 0.00 0.00 0.00 51.96 52.88 1b4s s ALA 104 Cb -0.26 -3.28 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 1b4s s ALA 104 CO 0.31 -0.27 1.50 -0.35 0.00 0.00 0.00 175.76 176.96 1b4s n PRO 105 N -0.19 2.53 0.00 0.00 -0.04 -1.26 -1.86 135.00 134.19 1b4s n PRO 105 Ca 0.06 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1b4s n PRO 105 Cb 0.50 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1b4s n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b4s n GLY 106 N 1.52 1.45 3.90 0.55 0.00 -1.26 -4.99 105.19 106.36 1b4s n GLY 106 Ca 0.06 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1b4s n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b4s s SER 107 N -0.28 6.38 0.12 1.61 1.04 -0.78 -4.94 113.70 116.85 1b4s s SER 107 Ca 0.00 0.94 -0.24 0.00 0.48 0.00 0.00 55.95 57.12 1b4s s SER 107 Cb 0.00 -2.24 -0.06 0.00 0.10 0.00 0.00 66.02 63.81 1b4s s SER 107 CO 0.00 -0.44 1.66 0.40 0.98 0.00 0.00 173.24 175.84 1b4s h ILE 108 N 0.73 0.57 -0.07 -1.02 2.04 -0.10 -0.50 117.51 119.16 1b4s h ILE 108 Ca -0.47 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 1b4s h ILE 108 Cb 1.20 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1b4s h ILE 108 CO 0.63 0.00 -0.60 0.03 0.00 0.00 0.00 178.15 178.21 1b4s h ARG 109 N -0.29 0.24 0.00 2.37 3.08 -1.27 -1.50 114.38 117.01 1b4s h ARG 109 Ca 0.06 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1b4s h ARG 109 Cb 0.36 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1b4s h ARG 109 CO -0.17 0.76 -0.10 0.78 -1.07 0.00 0.00 179.97 180.18 1b4s h GLY 110 N 1.46 0.00 0.06 0.04 0.00 -1.62 -0.89 103.07 102.13 1b4s h GLY 110 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 1b4s h GLY 110 CO 0.09 0.00 -2.08 1.22 0.00 0.00 0.00 176.54 175.77 1b4s n ASP 111 N -3.30 0.05 0.00 0.19 8.00 -0.22 -4.33 116.55 116.94 1b4s n ASP 111 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1b4s n ASP 111 Cb 0.31 1.58 0.00 0.00 -0.02 0.00 0.00 41.12 42.99 1b4s n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b4s n PHE 112 N -2.45 0.00 -4.26 1.24 3.01 -0.58 -5.08 117.46 109.35 1b4s n PHE 112 Ca -0.13 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.09 1b4s n PHE 112 Cb 0.77 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.16 1b4s n PHE 112 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1b4s s GLY 113 N -0.48 2.00 0.00 1.37 0.00 -0.34 -4.98 107.32 104.89 1b4s s GLY 113 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1b4s s GLY 113 CO 0.00 -1.84 0.00 -0.62 0.00 0.00 0.00 173.10 170.64 1b4s n VAL 114 N -1.01 0.00 -3.76 1.40 0.31 -1.26 -4.25 118.33 109.75 1b4s n VAL 114 Ca -0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.96 1b4s n VAL 114 Cb 0.62 -0.24 -0.05 0.00 -0.91 0.00 0.00 33.84 33.26 1b4s n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4s s ASP 115 N -3.73 6.47 0.28 4.52 2.15 -1.26 -4.21 116.67 120.89 1b4s s ASP 115 Ca 0.00 0.51 0.12 0.00 0.43 0.00 0.00 52.55 53.61 1b4s s ASP 115 Cb 0.00 -2.06 0.38 0.00 -0.30 0.00 0.00 42.92 40.93 1b4s s ASP 115 CO 0.00 0.17 1.61 0.58 -0.17 0.00 0.00 175.17 177.37 1b4s h VAL 116 N 2.53 1.35 0.00 1.11 2.07 -1.98 -2.94 116.25 118.40 1b4s h VAL 116 Ca -0.48 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 64.96 1b4s h VAL 116 Cb 1.18 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1b4s h VAL 116 CO 0.70 0.58 0.00 1.23 0.02 0.00 0.00 177.57 180.10 1b4s h GLY 117 N 1.98 0.00 -5.30 2.17 0.00 -1.95 -3.33 103.07 96.64 1b4s h GLY 117 Ca -0.01 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.72 1b4s h GLY 117 CO 0.08 0.00 -0.55 0.54 0.00 0.00 0.00 176.54 176.61 1b4s n ARG 118 N -3.00 3.38 -1.02 4.80 5.12 -1.11 -4.91 116.66 119.92 1b4s n ARG 118 Ca 0.04 -4.84 -0.22 0.00 -1.93 0.00 0.00 57.85 50.90 1b4s n ARG 118 Cb 0.51 -2.25 0.10 0.00 -1.16 0.00 0.00 32.46 29.66 1b4s n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1b4s n ASN 119 N -0.25 5.32 0.00 0.55 6.94 -1.20 -4.43 115.26 122.18 1b4s n ASN 119 Ca 0.32 -3.32 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 1b4s n ASN 119 Cb 0.40 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 1b4s n ASN 119 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1b4s n ILE 120 N -0.53 0.00 -3.99 1.53 -0.00 -1.26 -4.75 119.36 110.36 1b4s n ILE 120 Ca 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 63.12 1b4s n ILE 120 Cb 1.01 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.54 1b4s n ILE 120 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.55 176.04 1b4s s ILE 121 N 0.00 0.14 0.19 1.39 2.07 -1.26 -0.65 121.20 123.08 1b4s s ILE 121 Ca 0.00 -0.99 0.11 0.00 -1.41 0.00 0.00 60.65 58.37 1b4s s ILE 121 Cb 0.00 -0.37 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 1b4s s ILE 121 CO 0.00 -0.53 -0.24 -0.83 -1.91 0.00 0.00 174.94 171.43 1b4s s GLY 122 N -1.58 1.71 -0.00 1.50 0.00 -0.44 -4.91 107.32 103.60 1b4s s GLY 122 Ca -0.14 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 42.66 1b4s s GLY 122 CO -0.02 -1.66 0.72 -0.32 0.00 0.00 0.00 173.10 171.82 1b4s s GLY 123 N -2.66 -0.54 0.33 0.20 0.00 -1.26 -1.55 107.32 101.85 1b4s s GLY 123 Ca 0.21 1.15 -0.29 0.00 0.00 0.00 0.00 44.72 45.79 1b4s s GLY 123 CO 0.10 0.69 1.39 -0.56 0.00 0.00 0.00 173.10 174.71 1b4s s SER 124 N -1.73 6.62 0.00 1.64 0.01 -0.91 -4.94 113.70 114.38 1b4s s SER 124 Ca -0.05 2.80 0.25 0.00 1.31 0.00 0.00 55.95 60.26 1b4s s SER 124 Cb -0.00 -2.65 0.45 0.00 0.21 0.00 0.00 66.02 64.03 1b4s s SER 124 CO 0.01 -0.67 1.38 -0.90 0.41 0.00 0.00 173.24 173.46 1b4s n ASP 125 N 0.92 1.45 -3.44 2.44 5.68 -1.26 -4.83 116.55 117.51 1b4s n ASP 125 Ca 0.01 -1.16 -0.12 0.00 -0.50 0.00 0.00 54.79 53.03 1b4s n ASP 125 Cb 0.41 0.27 -0.02 0.00 -1.14 0.00 0.00 41.12 40.64 1b4s n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1b4s s SER 126 N -2.48 -0.55 0.44 -1.12 1.04 -1.26 -4.94 113.70 104.83 1b4s s SER 126 Ca 0.22 -0.01 0.11 0.00 0.48 0.00 0.00 55.95 56.75 1b4s s SER 126 Cb 0.19 0.59 0.97 0.00 0.10 0.00 0.00 66.02 67.86 1b4s s SER 126 CO 0.54 -0.95 2.03 0.58 0.98 0.00 0.00 173.24 176.41 1b4s h VAL 127 N 2.00 1.10 0.13 5.02 2.07 -1.92 0.68 116.25 125.33 1b4s h VAL 127 Ca -0.33 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1b4s h VAL 127 Cb 1.30 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1b4s h VAL 127 CO 0.37 0.13 -0.06 -0.33 0.02 0.00 0.00 177.57 177.70 1b4s h GLU 128 N 0.21 -0.16 -0.02 1.57 3.07 -1.97 -1.43 114.58 115.86 1b4s h GLU 128 Ca 0.05 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.78 1b4s h GLU 128 Cb 0.15 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1b4s h GLU 128 CO 0.00 0.01 -0.66 0.77 -1.40 0.00 0.00 179.01 177.72 1b4s h SER 129 N -0.31 0.09 0.18 1.42 0.02 -1.80 -2.19 113.55 110.97 1b4s h SER 129 Ca -0.02 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1b4s h SER 129 Cb 0.25 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1b4s h SER 129 CO 0.03 0.73 -0.14 0.00 -1.14 0.00 0.00 176.83 176.31 1b4s h ALA 130 N 1.27 -0.30 -0.28 3.77 0.00 0.53 0.18 119.26 124.42 1b4s h ALA 130 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1b4s h ALA 130 Cb 1.18 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1b4s h ALA 130 CO 0.09 -0.68 0.07 -0.91 0.00 0.00 0.00 179.25 177.82 1b4s h ASN 131 N -0.32 0.37 0.11 0.00 2.35 -1.27 0.41 115.58 117.22 1b4s h ASN 131 Ca -0.01 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1b4s h ASN 131 Cb 0.29 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1b4s h ASN 131 CO -0.00 0.38 -0.05 -0.09 -1.65 0.00 0.00 177.43 176.01 1b4s h ARG 132 N 0.40 -0.14 -0.26 0.81 2.43 -0.92 -2.52 114.38 114.18 1b4s h ARG 132 Ca 0.10 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1b4s h ARG 132 Cb 0.16 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1b4s h ARG 132 CO -0.00 0.36 -0.24 0.93 -1.51 0.00 0.00 179.97 179.50 1b4s h GLU 133 N -0.79 0.49 -0.07 0.20 5.08 -0.55 -1.31 114.58 117.62 1b4s h GLU 133 Ca -0.01 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1b4s h GLU 133 Cb 0.56 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1b4s h GLU 133 CO 0.02 0.70 0.04 0.82 -1.00 0.00 0.00 179.01 179.60 1b4s h ILE 134 N 0.44 1.06 0.00 3.13 2.04 -0.27 -1.30 117.51 122.61 1b4s h ILE 134 Ca 0.07 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1b4s h ILE 134 Cb 0.66 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1b4s h ILE 134 CO 0.05 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1b4s h ALA 135 N 0.97 1.00 0.02 1.87 0.00 -1.16 -0.42 119.26 121.54 1b4s h ALA 135 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1b4s h ALA 135 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1b4s h ALA 135 CO -0.00 0.00 -0.11 1.25 0.00 0.00 0.00 179.25 180.39 1b4s h LEU 136 N 0.00 0.06 0.00 0.00 6.46 -0.36 -3.39 115.31 118.08 1b4s h LEU 136 Ca 0.00 -0.98 -0.03 0.00 -0.12 0.00 0.00 57.88 56.75 1b4s h LEU 136 Cb 0.30 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1b4s h LEU 136 CO 0.00 1.03 -1.24 0.79 -0.62 0.00 0.00 178.44 178.41 1b4s n TRP 137 N -4.55 0.81 -4.81 1.25 7.02 -0.58 -4.95 117.44 111.64 1b4s n TRP 137 Ca -0.10 0.24 -0.25 0.00 -1.02 0.00 0.00 57.50 56.37 1b4s n TRP 137 Cb 0.52 -0.91 -0.16 0.00 -2.42 0.00 0.00 31.31 28.34 1b4s n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1b4s s PHE 138 N -3.31 1.58 0.26 -5.99 0.08 -0.18 -5.11 117.98 105.31 1b4s s PHE 138 Ca -0.02 -0.36 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 1b4s s PHE 138 Cb 0.10 -1.04 -0.09 0.00 -0.57 0.00 0.00 43.02 41.43 1b4s s PHE 138 CO 0.81 -0.08 0.78 0.15 -0.10 0.00 0.00 175.22 176.78 1b4s s LYS 139 N -0.21 4.29 0.40 0.44 1.02 -1.26 -4.47 119.74 119.94 1b4s s LYS 139 Ca 0.02 0.94 0.19 0.00 0.02 0.00 0.00 55.97 57.15 1b4s s LYS 139 Cb -0.09 -2.79 1.12 0.00 -0.52 0.00 0.00 37.83 35.56 1b4s s LYS 139 CO 0.00 0.33 1.75 -1.35 -0.92 0.00 0.00 175.35 175.17 1b4s h PRO 140 N 3.18 0.36 0.00 -1.68 0.11 -1.96 0.42 132.00 132.44 1b4s h PRO 140 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b4s h PRO 140 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1b4s h PRO 140 CO 0.65 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 1b4s n GLU 141 N -4.65 0.07 0.00 1.05 0.00 -1.26 -2.38 120.64 113.46 1b4s n GLU 141 Ca 0.27 0.21 0.12 0.00 0.00 0.00 0.00 57.16 57.76 1b4s n GLU 141 Cb 0.93 -1.61 0.25 0.00 0.00 0.00 0.00 31.44 31.01 1b4s n GLU 141 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1b4s n GLU 142 N -1.74 0.74 -4.14 3.44 1.02 0.15 -4.91 120.64 115.20 1b4s n GLU 142 Ca 0.04 -0.49 -0.30 0.00 -0.02 0.00 0.00 57.16 56.39 1b4s n GLU 142 Cb 0.26 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.11 1b4s n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1b4s s LEU 143 N -2.60 3.45 0.24 -4.62 1.43 -1.00 -4.52 118.68 111.05 1b4s s LEU 143 Ca 0.20 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 1b4s s LEU 143 Cb 0.19 -2.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.14 1b4s s LEU 143 CO 0.58 0.18 0.92 -0.76 0.23 0.00 0.00 176.35 177.50 1b4s s LEU 144 N -2.27 4.61 -0.24 1.79 1.43 0.49 -4.96 118.68 119.53 1b4s s LEU 144 Ca 0.25 1.90 -0.16 0.00 -1.03 0.00 0.00 54.13 55.10 1b4s s LEU 144 Cb -0.12 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.33 1b4s s LEU 144 CO 0.18 0.15 -0.07 0.41 0.23 0.00 0.00 176.35 177.24 1b4s n THR 145 N 1.42 1.55 -2.86 5.49 -1.04 -1.26 -4.76 114.28 112.81 1b4s n THR 145 Ca -0.02 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.05 61.29 1b4s n THR 145 Cb 0.47 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.05 1b4s n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1b4s s GLU 146 N -2.45 3.42 -0.21 -2.82 0.41 -1.26 -5.01 118.70 110.78 1b4s s GLU 146 Ca -0.34 -1.34 -0.05 0.00 -0.41 0.00 0.00 54.97 52.83 1b4s s GLU 146 Cb 0.10 -4.71 -0.02 0.00 -1.78 0.00 0.00 34.13 27.72 1b4s s GLU 146 CO 0.56 -1.84 0.01 0.08 -0.49 0.00 0.00 175.26 173.57 1b4s s VAL 147 N 3.46 3.97 -0.30 2.63 1.01 -1.26 -5.07 120.40 124.84 1b4s s VAL 147 Ca 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1b4s s VAL 147 Cb -0.09 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.59 1b4s s VAL 147 CO -0.02 0.42 0.13 -0.54 0.00 0.00 0.00 175.10 175.08 1b4s s LYS 148 N 1.11 0.38 0.84 2.72 3.01 -1.26 -5.15 119.74 121.38 1b4s s LYS 148 Ca 0.03 -0.76 -0.10 0.00 -1.01 0.00 0.00 55.97 54.13 1b4s s LYS 148 Cb -0.14 -1.42 0.14 0.00 -1.01 0.00 0.00 37.83 35.40 1b4s s LYS 148 CO 0.02 -1.02 1.17 -1.25 0.51 0.00 0.00 175.35 174.77 1b4s s PRO 149 N 1.87 1.33 0.11 -1.68 0.04 -1.26 -4.98 135.00 130.43 1b4s s PRO 149 Ca 0.10 -0.49 -0.33 0.00 0.04 0.00 0.00 61.00 60.32 1b4s s PRO 149 Cb -0.17 -2.04 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 1b4s s PRO 149 CO -0.31 -1.87 1.74 -1.71 0.04 0.00 0.00 177.00 174.89 1b4s n ASN 150 N -3.33 3.61 0.00 6.66 2.85 -1.26 -4.81 115.26 118.98 1b4s n ASN 150 Ca 0.13 1.03 0.01 0.00 -0.11 0.00 0.00 54.58 55.64 1b4s n ASN 150 Cb 0.60 -1.48 0.07 0.00 1.24 0.00 0.00 39.78 40.21 1b4s n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1b4s n PRO 151 N 4.80 0.03 -0.11 1.20 -0.04 -1.26 -1.12 135.00 138.50 1b4s n PRO 151 Ca 0.18 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 64.06 1b4s n PRO 151 Cb 0.33 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.59 1b4s n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b4s n ASN 152 N -1.34 2.38 0.02 3.54 3.02 -1.26 -4.18 115.26 117.43 1b4s n ASN 152 Ca 0.01 -1.82 -0.22 0.00 -0.03 0.00 0.00 54.58 52.52 1b4s n ASN 152 Cb 0.03 -0.15 -0.14 0.00 -0.61 0.00 0.00 39.78 38.91 1b4s n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1b4s h LEU 153 N 3.17 0.44 -8.91 3.41 3.38 -1.48 -3.48 115.31 111.84 1b4s h LEU 153 Ca 0.00 -0.91 -0.69 0.00 0.09 0.00 0.00 57.88 56.37 1b4s h LEU 153 Cb 0.69 -0.14 -0.23 0.00 0.09 0.00 0.00 40.66 41.08 1b4s h LEU 153 CO 0.00 1.80 -0.85 -0.31 0.09 0.00 0.00 178.44 179.16 1b4s s TYR 154 N -2.54 2.39 -2.32 1.13 2.02 -1.26 -5.13 117.35 111.65 1b4s s TYR 154 Ca -0.21 -0.35 0.29 0.00 -0.37 0.00 0.00 57.07 56.44 1b4s s TYR 154 Cb 0.06 -1.34 1.37 0.00 -0.40 0.00 0.00 41.96 41.65 1b4s s TYR 154 CO 0.78 0.28 1.92 -1.91 -1.57 0.00 0.00 175.55 175.05