#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 0.00 -1.46 6.55 5.03 -1.26 -3.03 115.26 121.09 1b4s n ASN 7 Ca 0.00 -1.06 0.09 0.00 0.87 0.00 0.00 54.58 54.49 1b4s n ASN 7 Cb 0.00 0.00 0.34 0.00 -1.02 0.00 0.00 39.78 39.10 1b4s n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1b4s n LYS 8 N -0.78 3.64 -2.36 3.52 5.02 -1.26 -3.46 118.16 122.47 1b4s n LYS 8 Ca 0.10 -2.83 -0.41 0.00 -2.02 0.00 0.00 58.31 53.15 1b4s n LYS 8 Cb 0.05 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 1b4s n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1b4s s GLU 9 N -1.89 4.48 0.24 1.97 2.12 -1.17 -4.70 118.70 119.75 1b4s s GLU 9 Ca 0.48 1.89 0.10 0.00 0.36 0.00 0.00 54.97 57.81 1b4s s GLU 9 Cb 0.32 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 31.42 1b4s s GLU 9 CO 0.22 -0.12 -0.12 1.03 -0.54 0.00 0.00 175.26 175.73 1b4s s ARG 10 N -0.13 1.93 0.03 4.30 0.52 -1.26 0.11 118.95 124.44 1b4s s ARG 10 Ca 0.54 -1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 54.22 1b4s s ARG 10 Cb -0.33 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 1b4s s ARG 10 CO 0.36 0.37 -0.02 -0.08 0.02 0.00 0.00 175.30 175.96 1b4s s THR 11 N -2.16 0.15 -0.20 0.02 -1.32 -0.29 -4.64 115.64 107.21 1b4s s THR 11 Ca 0.28 -1.24 -0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1b4s s THR 11 Cb -0.07 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.12 1b4s s THR 11 CO 0.16 -0.68 0.10 0.12 -2.21 0.00 0.00 174.62 172.10 1b4s s PHE 12 N -2.42 3.32 0.10 9.09 5.36 -1.26 -2.30 117.98 129.87 1b4s s PHE 12 Ca -0.07 0.18 0.06 0.00 -0.96 0.00 0.00 56.93 56.14 1b4s s PHE 12 Cb -0.03 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 1b4s s PHE 12 CO -0.04 0.19 -0.14 -0.51 -1.46 0.00 0.00 175.22 173.26 1b4s s LEU 13 N 0.44 2.34 -0.14 6.12 1.43 0.08 -1.61 118.68 127.34 1b4s s LEU 13 Ca 0.05 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.38 1b4s s LEU 13 Cb -0.12 -0.54 0.06 0.00 0.03 0.00 0.00 46.19 45.62 1b4s s LEU 13 CO -0.00 -0.11 0.29 0.00 0.23 0.00 0.00 176.35 176.76 1b4s s ALA 14 N -1.70 -0.68 -0.41 4.21 0.00 0.06 -0.28 121.76 122.96 1b4s s ALA 14 Ca 0.04 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 1b4s s ALA 14 Cb -0.07 -0.98 0.02 0.00 0.00 0.00 0.00 23.12 22.08 1b4s s ALA 14 CO 0.03 -0.54 1.25 0.08 0.00 0.00 0.00 175.76 176.58 1b4s s VAL 15 N 2.14 4.12 0.96 0.00 1.01 -0.43 -0.73 120.40 127.48 1b4s s VAL 15 Ca -0.02 1.18 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 1b4s s VAL 15 Cb -0.11 -4.37 0.17 0.00 0.00 0.00 0.00 36.38 32.06 1b4s s VAL 15 CO -0.09 -0.78 1.09 -0.54 0.00 0.00 0.00 175.10 174.77 1b4s s LYS 16 N 4.49 0.68 0.51 2.72 1.02 0.73 -2.78 119.74 127.11 1b4s s LYS 16 Ca 0.54 1.01 0.33 0.00 0.02 0.00 0.00 55.97 57.87 1b4s s LYS 16 Cb -0.11 -1.73 1.47 0.00 -0.52 0.00 0.00 37.83 36.94 1b4s s LYS 16 CO 0.29 -2.69 1.78 -1.35 -0.92 0.00 0.00 175.35 172.46 1b4s h PRO 17 N -1.89 0.08 0.05 -1.68 0.11 -1.86 -0.08 132.00 126.73 1b4s h PRO 17 Ca -0.51 -0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.32 1b4s h PRO 17 Cb 1.29 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.41 1b4s h PRO 17 CO 0.50 0.05 -1.12 0.38 -0.21 0.00 0.00 178.00 177.60 1b4s h ASP 18 N 0.08 0.85 -0.57 -2.05 2.03 -1.89 -1.00 116.42 113.87 1b4s h ASP 18 Ca 0.60 -0.73 -0.07 0.00 -0.73 0.00 0.00 57.03 56.10 1b4s h ASP 18 Cb 2.20 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 40.41 1b4s h ASP 18 CO -0.08 1.53 0.08 1.23 -1.03 0.00 0.00 179.24 180.96 1b4s h GLY 19 N 0.49 1.03 0.87 7.15 0.00 -1.17 0.18 103.07 111.62 1b4s h GLY 19 Ca -0.15 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1b4s h GLY 19 CO 0.21 0.65 0.06 -2.08 0.00 0.00 0.00 176.54 175.38 1b4s h VAL 20 N 0.85 1.16 -0.02 4.60 2.07 -1.27 0.76 116.25 124.40 1b4s h VAL 20 Ca 0.17 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1b4s h VAL 20 Cb 0.44 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1b4s h VAL 20 CO 0.01 0.15 -0.27 0.00 0.02 0.00 0.00 177.57 177.48 1b4s h ALA 21 N 0.89 1.52 -0.13 1.67 0.00 -0.95 -0.73 119.26 121.54 1b4s h ALA 21 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1b4s h ALA 21 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1b4s h ALA 21 CO -0.00 0.36 0.00 0.54 0.00 0.00 0.00 179.25 180.15 1b4s n ARG 22 N -4.21 1.61 -3.06 0.00 1.74 0.60 -4.95 116.66 108.41 1b4s n ARG 22 Ca -0.02 -0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 56.01 1b4s n ARG 22 Cb 0.33 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.44 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 1.09 -0.12 0.32 -0.13 0.00 -0.28 -4.95 105.19 101.11 1b4s n GLY 23 Ca 0.16 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.30 1.48 -0.06 0.99 4.77 0.20 -4.63 117.00 116.46 1b4s n LEU 24 Ca -0.17 -0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 54.96 1b4s n LEU 24 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1b4s n LEU 24 CO 0.44 0.29 0.62 0.58 -1.33 0.00 0.00 177.39 177.98 1b4s h VAL 25 N 1.55 0.20 -0.27 4.08 2.07 -1.87 -0.18 116.25 121.83 1b4s h VAL 25 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1b4s h VAL 25 Cb 0.49 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1b4s h VAL 25 CO 0.00 0.00 -0.14 1.23 0.02 0.00 0.00 177.57 178.68 1b4s h GLY 26 N -0.37 0.07 0.70 2.17 0.00 -1.97 -1.19 103.07 102.48 1b4s h GLY 26 Ca 0.12 0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.69 1b4s h GLY 26 CO -0.46 -0.16 0.52 -2.09 0.00 0.00 0.00 176.54 174.36 1b4s h GLU 27 N -0.11 0.92 -0.09 4.80 4.57 -1.71 -0.63 114.58 122.33 1b4s h GLU 27 Ca 0.14 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1b4s h GLU 27 Cb 0.33 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1b4s h GLU 27 CO -0.34 0.61 -0.13 0.82 -1.18 0.00 0.00 179.01 178.79 1b4s h ILE 28 N 0.95 1.39 -0.85 2.32 2.04 -0.51 -2.48 117.51 120.36 1b4s h ILE 28 Ca 0.37 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1b4s h ILE 28 Cb 0.19 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1b4s h ILE 28 CO -0.18 0.38 0.42 0.40 0.00 0.00 0.00 178.15 179.17 1b4s h ILE 29 N -0.20 1.26 -0.88 -0.67 2.04 -1.11 -2.41 117.51 115.53 1b4s h ILE 29 Ca 0.01 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1b4s h ILE 29 Cb 0.68 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1b4s h ILE 29 CO 0.03 0.30 0.52 0.00 0.00 0.00 0.00 178.15 179.00 1b4s h ALA 30 N 1.26 1.25 -0.49 1.87 0.00 -1.12 -0.60 119.26 121.43 1b4s h ALA 30 Ca 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1b4s h ALA 30 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1b4s h ALA 30 CO -0.04 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.85 1b4s h ARG 31 N 1.22 0.82 0.02 0.00 3.08 -0.95 -1.05 114.38 117.52 1b4s h ARG 31 Ca 0.31 -0.22 -0.22 0.00 0.07 0.00 0.00 59.98 59.93 1b4s h ARG 31 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1b4s h ARG 31 CO -0.06 0.82 -0.95 1.88 -1.07 0.00 0.00 179.97 180.59 1b4s h TYR 32 N 0.76 0.39 -0.30 3.04 0.05 -1.23 -2.57 116.97 117.11 1b4s h TYR 32 Ca 0.15 -0.23 -0.14 0.00 0.05 0.00 0.00 58.73 58.57 1b4s h TYR 32 Cb 0.45 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1b4s h TYR 32 CO 0.02 1.07 -0.38 0.93 -1.05 0.00 0.00 178.16 178.75 1b4s h GLU 33 N 0.13 0.68 -0.16 4.88 5.08 -0.97 -1.96 114.58 122.27 1b4s h GLU 33 Ca -0.06 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 1b4s h GLU 33 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1b4s h GLU 33 CO 0.15 0.95 -0.37 0.87 -1.00 0.00 0.00 179.01 179.61 1b4s h LYS 34 N 0.57 0.35 0.00 2.33 1.57 -1.14 -2.26 116.57 117.98 1b4s h LYS 34 Ca 0.05 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1b4s h LYS 34 Cb 0.90 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1b4s h LYS 34 CO 0.08 0.67 0.00 1.17 -0.57 0.00 0.00 179.45 180.81 1b4s n LYS 35 N -4.05 0.23 0.00 3.15 3.00 -0.97 -4.91 118.16 114.61 1b4s n LYS 35 Ca -0.01 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1b4s n LYS 35 Cb 0.47 -1.87 0.00 0.00 0.00 0.00 0.00 35.03 33.63 1b4s n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b4s n GLY 36 N 0.44 0.61 3.78 3.14 0.00 -0.85 -5.09 105.19 107.22 1b4s n GLY 36 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 3.31 -0.09 1.61 0.08 -0.75 -4.81 117.98 115.34 1b4s s PHE 37 Ca 0.00 1.65 -0.13 0.00 0.12 0.00 0.00 56.93 58.57 1b4s s PHE 37 Cb 0.00 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.22 1b4s s PHE 37 CO 0.00 -0.66 0.32 0.08 -0.10 0.00 0.00 175.22 174.86 1b4s s VAL 38 N -1.54 5.23 -0.19 -0.44 1.01 -0.43 -4.29 120.40 119.76 1b4s s VAL 38 Ca 0.55 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 1b4s s VAL 38 Cb -0.25 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1b4s s VAL 38 CO 0.31 0.50 1.08 -0.22 0.00 0.00 0.00 175.10 176.78 1b4s s LEU 39 N -0.40 4.15 0.00 3.92 2.96 -1.26 -0.10 118.68 127.95 1b4s s LEU 39 Ca 0.19 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 1b4s s LEU 39 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1b4s s LEU 39 CO 0.08 -0.65 0.72 1.33 -1.32 0.00 0.00 176.35 176.51 1b4s n VAL 40 N 5.17 0.45 -3.64 1.68 0.24 0.40 -4.91 118.33 117.72 1b4s n VAL 40 Ca 0.12 -0.72 -0.06 0.00 -2.04 0.00 0.00 64.34 61.64 1b4s n VAL 40 Cb 0.46 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.45 -0.11 -0.25 7.63 0.00 -1.19 -0.10 107.32 112.85 1b4s s GLY 41 Ca 0.00 2.87 -0.17 0.00 0.00 0.00 0.00 44.72 47.43 1b4s s GLY 41 CO 0.00 2.21 0.63 -2.27 0.00 0.00 0.00 173.10 173.66 1b4s s LEU 42 N 0.81 -0.65 -0.25 0.66 2.96 -1.26 -1.50 118.68 119.44 1b4s s LEU 42 Ca -0.03 1.34 -0.27 0.00 -0.22 0.00 0.00 54.13 54.95 1b4s s LEU 42 Cb -0.04 2.15 0.15 0.00 0.50 0.00 0.00 46.19 48.95 1b4s s LEU 42 CO -0.11 -0.23 1.17 -1.59 -1.32 0.00 0.00 176.35 174.27 1b4s s LYS 43 N 1.23 0.36 -0.15 1.98 -2.85 -0.71 -5.02 119.74 114.57 1b4s s LYS 43 Ca -0.07 0.25 -0.09 0.00 -1.00 0.00 0.00 55.97 55.06 1b4s s LYS 43 Cb -0.05 0.17 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 1b4s s LYS 43 CO -0.13 -0.08 0.16 -1.14 0.10 0.00 0.00 175.35 174.26 1b4s s GLN 44 N -0.41 3.84 0.13 1.78 0.74 -1.26 -0.87 119.66 123.60 1b4s s GLN 44 Ca 0.04 -0.12 -0.23 0.00 0.05 0.00 0.00 55.36 55.09 1b4s s GLN 44 Cb -0.03 -3.30 0.06 0.00 1.10 0.00 0.00 33.01 30.84 1b4s s GLN 44 CO -0.06 0.53 0.58 -0.48 -0.55 0.00 0.00 175.29 175.31 1b4s s LEU 45 N -0.34 -0.44 -0.46 3.68 2.34 0.65 -4.94 118.68 119.18 1b4s s LEU 45 Ca 0.13 0.04 -0.16 0.00 0.06 0.00 0.00 54.13 54.20 1b4s s LEU 45 Cb -0.12 2.48 0.06 0.00 -0.56 0.00 0.00 46.19 48.05 1b4s s LEU 45 CO 0.02 -0.91 0.38 -0.69 -1.06 0.00 0.00 176.35 174.10 1b4s s VAL 46 N -3.44 5.22 0.38 1.48 1.01 -1.26 0.16 120.40 123.96 1b4s s VAL 46 Ca -0.00 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 1b4s s VAL 46 Cb -0.01 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 32.16 1b4s s VAL 46 CO -0.10 -0.52 0.60 -2.65 0.00 0.00 0.00 175.10 172.43 1b4s n PRO 47 N 5.25 0.61 -2.94 2.72 -0.02 -1.26 -4.96 135.00 134.40 1b4s n PRO 47 Ca -0.12 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.30 1b4s n PRO 47 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.42 1b4s n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b4s s THR 48 N -1.37 4.92 0.28 3.45 -1.32 -1.26 -4.58 115.64 115.75 1b4s s THR 48 Ca 0.62 0.23 0.02 0.00 -1.21 0.00 0.00 61.69 61.35 1b4s s THR 48 Cb -0.65 -3.79 0.28 0.00 -1.51 0.00 0.00 72.50 66.82 1b4s s THR 48 CO 0.58 -0.60 1.82 0.50 -2.21 0.00 0.00 174.62 174.71 1b4s h LYS 49 N 0.92 0.89 -0.02 7.08 3.64 -1.93 -1.16 116.57 126.01 1b4s h LYS 49 Ca -0.47 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 1b4s h LYS 49 Cb 1.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1b4s h LYS 49 CO 0.63 0.59 -0.50 -0.44 -2.27 0.00 0.00 179.45 177.46 1b4s h ASP 50 N 0.92 0.04 -0.13 4.20 3.45 -1.98 -1.76 116.42 121.16 1b4s h ASP 50 Ca 0.50 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.86 1b4s h ASP 50 Cb 0.57 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1b4s h ASP 50 CO -0.29 0.54 -0.25 0.25 -1.57 0.00 0.00 179.24 177.91 1b4s h LEU 51 N 0.03 0.45 -0.41 1.55 5.85 -1.68 -2.11 115.31 118.99 1b4s h LEU 51 Ca -0.00 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1b4s h LEU 51 Cb 0.90 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1b4s h LEU 51 CO 0.07 0.92 0.21 0.00 -0.34 0.00 0.00 178.44 179.30 1b4s h ALA 52 N 0.54 0.52 0.00 1.25 0.00 -1.12 0.37 119.26 120.83 1b4s h ALA 52 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1b4s h ALA 52 Cb 0.84 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1b4s h ALA 52 CO 0.06 0.06 -0.39 0.93 0.00 0.00 0.00 179.25 179.91 1b4s h GLU 53 N 0.52 0.00 0.09 0.00 5.08 -1.39 -0.20 114.58 118.69 1b4s h GLU 53 Ca 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1b4s h GLU 53 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1b4s h GLU 53 CO -0.02 0.39 -0.04 1.03 -1.00 0.00 0.00 179.01 179.36 1b4s h SER 54 N 0.00 -0.11 -0.84 1.42 0.87 -1.08 -2.42 113.55 111.39 1b4s h SER 54 Ca -0.00 -0.23 0.21 0.00 -1.23 0.00 0.00 61.79 60.54 1b4s h SER 54 Cb 0.79 0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 62.64 1b4s h SER 54 CO 0.05 0.48 0.12 -0.74 -0.53 0.00 0.00 176.83 176.21 1b4s h HIS 55 N -1.00 0.15 -0.87 2.24 -0.00 -0.21 0.11 115.15 115.56 1b4s h HIS 55 Ca -0.01 0.05 -0.52 0.00 -0.00 0.00 0.00 60.37 59.89 1b4s h HIS 55 Cb 0.33 0.07 -0.28 0.00 -0.00 0.00 0.00 27.41 27.53 1b4s h HIS 55 CO 0.06 -0.25 0.50 0.66 -0.00 0.00 0.00 177.93 178.90 1b4s n TYR 56 N -5.30 2.78 -0.17 5.26 4.01 -0.09 -4.70 117.16 118.95 1b4s n TYR 56 Ca 0.19 -2.26 0.15 0.00 -0.16 0.00 0.00 57.90 55.81 1b4s n TYR 56 Cb 0.61 -1.01 0.49 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.45 2.09 0.00 -0.72 0.00 -0.24 -1.44 119.26 120.39 1b4s h ALA 57 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1b4s h ALA 57 Cb 1.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1b4s h ALA 57 CO 1.14 -0.29 0.00 1.05 0.00 0.00 0.00 179.25 181.15 1b4s h GLU 58 N 0.44 0.00 -0.50 0.00 4.11 -1.84 -2.04 114.58 114.76 1b4s h GLU 58 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1b4s h GLU 58 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1b4s h GLU 58 CO -0.12 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.68 1b4s n HIS 59 N -2.97 0.67 0.28 2.06 8.25 -0.55 -4.59 115.22 118.37 1b4s n HIS 59 Ca -0.00 -0.50 0.18 0.00 -0.26 0.00 0.00 57.72 57.14 1b4s n HIS 59 Cb 0.21 -0.02 0.93 0.00 1.12 0.00 0.00 29.99 32.23 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 2.89 0.00 0.00 -0.41 2.10 -1.33 0.33 116.57 120.15 1b4s h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b4s h LYS 60 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1b4s h LYS 60 CO 0.00 0.00 -1.42 0.39 -2.00 0.00 0.00 179.45 176.42 1b4s n GLU 61 N -3.31 0.45 -2.51 0.07 4.71 -1.26 -4.94 120.64 113.85 1b4s n GLU 61 Ca -0.01 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.16 56.74 1b4s n GLU 61 Cb 0.29 -1.59 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 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 -3.33 3.79 0.48 3.49 1.81 0.12 -4.97 118.95 120.34 1b4s s ARG 62 Ca -0.01 1.41 0.17 0.00 -1.72 0.00 0.00 55.73 55.58 1b4s s ARG 62 Cb 0.14 -2.14 1.15 0.00 -0.45 0.00 0.00 34.95 33.65 1b4s s ARG 62 CO 0.85 -0.45 2.05 -1.00 -0.68 0.00 0.00 175.30 176.08 1b4s h PRO 63 N 1.63 0.00 0.00 3.54 0.13 -1.92 -2.74 132.00 132.64 1b4s h PRO 63 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1b4s h PRO 63 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1b4s h PRO 63 CO 0.59 0.13 -0.33 1.97 -0.23 0.00 0.00 178.00 180.13 1b4s n PHE 64 N -4.29 0.05 -0.19 1.56 1.16 -1.26 -4.32 117.46 110.17 1b4s n PHE 64 Ca -0.03 0.02 -0.06 0.00 -1.87 0.00 0.00 57.45 55.51 1b4s n PHE 64 Cb 0.20 -0.37 -0.00 0.00 -1.61 0.00 0.00 39.48 37.69 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 -0.95 -0.64 2.97 3.04 -1.68 0.28 116.94 119.96 1b4s h PHE 65 Ca 0.00 0.07 0.07 0.00 3.98 0.00 0.00 57.97 62.09 1b4s h PHE 65 Cb 0.52 0.50 -0.06 0.00 2.56 0.00 0.00 35.95 39.47 1b4s h PHE 65 CO 0.00 -0.39 0.32 0.78 -2.02 0.00 0.00 178.31 177.01 1b4s h GLY 66 N -0.19 0.94 2.00 2.40 0.00 -1.80 0.55 103.07 106.97 1b4s h GLY 66 Ca 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1b4s h GLY 66 CO -0.65 0.09 -0.06 -1.33 0.00 0.00 0.00 176.54 174.59 1b4s h GLY 67 N 0.58 0.00 0.43 4.60 0.00 -1.68 -2.40 103.07 104.60 1b4s h GLY 67 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1b4s h GLY 67 CO -0.22 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 174.01 1b4s h LEU 68 N 0.00 0.24 -0.40 3.11 5.85 0.17 -2.78 115.31 121.50 1b4s h LEU 68 Ca -0.00 -0.84 -0.06 0.00 0.84 0.00 0.00 57.88 57.82 1b4s h LEU 68 Cb 0.78 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1b4s h LEU 68 CO 0.01 1.05 0.02 0.58 -0.34 0.00 0.00 178.44 179.76 1b4s h VAL 69 N -0.54 1.26 0.00 1.05 2.07 -0.95 -0.08 116.25 119.06 1b4s h VAL 69 Ca -0.04 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.42 1b4s h VAL 69 Cb 1.11 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1b4s h VAL 69 CO 0.06 0.33 -0.40 0.77 0.02 0.00 0.00 177.57 178.35 1b4s h SER 70 N 0.52 0.00 0.05 0.57 4.64 -1.55 -2.21 113.55 115.57 1b4s h SER 70 Ca 0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.30 1b4s h SER 70 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1b4s h SER 70 CO 0.02 0.40 -0.56 0.15 -0.87 0.00 0.00 176.83 175.97 1b4s h PHE 71 N 0.00 0.47 -0.03 4.77 3.57 -1.24 -1.32 116.94 123.15 1b4s h PHE 71 Ca -0.00 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 1b4s h PHE 71 Cb 0.74 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 1b4s h PHE 71 CO 0.00 1.15 0.02 0.97 -2.23 0.00 0.00 178.31 178.22 1b4s h ILE 72 N -0.35 1.01 -0.02 1.41 6.09 -0.95 0.15 117.51 124.86 1b4s h ILE 72 Ca -0.08 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1b4s h ILE 72 Cb 1.34 0.97 0.00 0.00 0.47 0.00 0.00 36.82 39.60 1b4s h ILE 72 CO 0.11 0.01 -0.05 0.35 -3.07 0.00 0.00 178.15 175.50 1b4s n THR 73 N -4.53 0.00 0.45 2.19 -2.24 -0.84 -4.14 114.28 105.17 1b4s n THR 73 Ca -0.03 -0.33 0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1b4s n THR 73 Cb 0.09 0.91 0.48 0.00 -2.10 0.00 0.00 70.33 69.70 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 3.15 0.00 -2.55 3.42 4.64 0.52 -3.44 113.55 119.29 1b4s h SER 74 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1b4s h SER 74 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1b4s h SER 74 CO 0.00 0.00 0.15 0.61 -0.87 0.00 0.00 176.83 176.72 1b4s n GLY 75 N 0.37 1.43 3.78 -0.77 0.00 -1.25 -5.08 105.19 103.67 1b4s n GLY 75 Ca 0.03 -1.24 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 1b4s n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b4s s PRO 76 N -2.14 4.21 0.08 1.61 0.04 -1.26 -4.12 135.00 133.42 1b4s s PRO 76 Ca 0.13 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.82 1b4s s PRO 76 Cb -0.03 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1b4s s PRO 76 CO 0.09 -0.11 -0.17 0.08 0.04 0.00 0.00 177.00 176.93 1b4s s VAL 77 N -1.56 1.35 -0.35 -0.36 1.01 0.43 -3.96 120.40 116.96 1b4s s VAL 77 Ca 0.56 -1.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1b4s s VAL 77 Cb -0.24 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 34.96 1b4s s VAL 77 CO 0.31 -0.12 0.11 0.68 0.00 0.00 0.00 175.10 176.08 1b4s s VAL 78 N -1.16 3.28 0.21 2.92 -7.23 -1.12 -0.25 120.40 117.05 1b4s s VAL 78 Ca 0.02 -1.62 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 1b4s s VAL 78 Cb -0.10 -3.03 -0.08 0.00 0.56 0.00 0.00 36.38 33.73 1b4s s VAL 78 CO 0.03 -0.37 0.76 0.00 -0.31 0.00 0.00 175.10 175.21 1b4s s ALA 79 N 1.24 3.41 0.10 1.32 0.00 -0.05 -1.31 121.76 126.47 1b4s s ALA 79 Ca 0.01 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 1b4s s ALA 79 Cb -0.21 -2.91 0.03 0.00 0.00 0.00 0.00 23.12 20.03 1b4s s ALA 79 CO -0.02 0.30 0.34 0.00 0.00 0.00 0.00 175.76 176.39 1b4s s MET 80 N -1.63 0.99 -0.07 0.00 0.23 0.62 -1.74 119.30 117.69 1b4s s MET 80 Ca 0.40 -0.73 -0.00 0.00 -1.03 0.00 0.00 55.69 54.34 1b4s s MET 80 Cb -0.19 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.56 1b4s s MET 80 CO 0.23 -0.36 -0.04 0.54 -2.03 0.00 0.00 175.02 173.36 1b4s s VAL 81 N -3.64 0.64 -0.02 5.16 0.11 -0.56 -0.74 120.40 121.35 1b4s s VAL 81 Ca 0.02 -0.10 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1b4s s VAL 81 Cb 0.02 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1b4s s VAL 81 CO -0.11 0.28 -0.03 -0.36 -3.33 0.00 0.00 175.10 171.55 1b4s s PHE 82 N 1.47 2.99 0.06 1.54 0.08 -0.97 -0.46 117.98 122.70 1b4s s PHE 82 Ca -0.02 0.04 0.08 0.00 0.12 0.00 0.00 56.93 57.15 1b4s s PHE 82 Cb -0.13 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 1b4s s PHE 82 CO -0.04 0.41 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.32 1b4s s GLU 83 N -1.33 1.99 0.00 0.44 2.12 0.85 -1.14 118.70 121.63 1b4s s GLU 83 Ca 0.17 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1b4s s GLU 83 Cb -0.11 -2.17 0.00 0.00 0.26 0.00 0.00 34.13 32.11 1b4s s GLU 83 CO 0.07 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1b4s n GLY 84 N 1.31 2.88 3.67 -1.50 0.00 0.29 -1.31 105.19 110.53 1b4s n GLY 84 Ca -0.16 -1.12 -0.51 0.00 0.00 0.00 0.00 46.02 44.23 1b4s n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b4s n LYS 85 N -1.21 1.67 -2.26 1.61 4.81 -1.25 -1.93 118.16 119.60 1b4s n LYS 85 Ca 0.00 0.61 -0.07 0.00 -0.87 0.00 0.00 58.31 57.98 1b4s n LYS 85 Cb 0.00 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 32.69 1b4s n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b4s n GLY 86 N 3.84 -0.31 0.33 3.14 0.00 -1.26 -4.84 105.19 106.09 1b4s n GLY 86 Ca 0.22 0.00 0.04 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 0.92 -0.16 1.61 3.04 -1.64 0.52 116.25 120.54 1b4s h VAL 87 Ca -0.17 -0.30 0.05 0.00 -1.01 0.00 0.00 66.70 65.26 1b4s h VAL 87 Cb 1.02 -0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 30.21 1b4s h VAL 87 CO 0.21 0.16 -0.15 0.58 -1.01 0.00 0.00 177.57 177.36 1b4s h VAL 88 N 0.89 0.58 -0.05 1.51 2.07 -1.85 0.52 116.25 119.93 1b4s h VAL 88 Ca 0.44 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.77 1b4s h VAL 88 Cb 0.40 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1b4s h VAL 88 CO -0.25 0.00 -0.76 0.00 0.02 0.00 0.00 177.57 176.58 1b4s h ALA 89 N 0.91 0.61 -0.04 1.67 0.00 -1.75 -3.09 119.26 117.56 1b4s h ALA 89 Ca 0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1b4s h ALA 89 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1b4s h ALA 89 CO -0.26 0.80 -0.01 1.03 0.00 0.00 0.00 179.25 180.80 1b4s h SER 90 N 0.21 0.09 -0.92 0.00 0.87 -0.38 -2.12 113.55 111.29 1b4s h SER 90 Ca -0.03 -0.38 0.13 0.00 -1.23 0.00 0.00 61.79 60.28 1b4s h SER 90 Cb 1.34 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.20 1b4s h SER 90 CO 0.12 0.45 0.59 0.00 -0.53 0.00 0.00 176.83 177.46 1b4s h ALA 91 N 0.64 1.71 -0.35 6.23 0.00 -0.05 -0.13 119.26 127.31 1b4s h ALA 91 Ca 0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1b4s h ALA 91 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1b4s h ALA 91 CO 0.00 0.06 0.01 0.00 0.00 0.00 0.00 179.25 179.32 1b4s h ARG 92 N 0.81 0.62 -0.88 0.00 3.08 -1.44 -0.42 114.38 116.16 1b4s h ARG 92 Ca 0.46 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.35 1b4s h ARG 92 Cb 0.60 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 1b4s h ARG 92 CO -0.22 0.73 0.58 1.25 -1.07 0.00 0.00 179.97 181.23 1b4s h LEU 93 N 0.43 0.94 -1.09 3.04 5.85 -0.51 0.23 115.31 124.20 1b4s h LEU 93 Ca 0.10 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1b4s h LEU 93 Cb 0.44 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1b4s h LEU 93 CO 0.02 0.65 -0.31 0.24 -0.34 0.00 0.00 178.44 178.69 1b4s h MET 94 N 1.09 0.00 0.00 1.25 2.86 -0.53 -3.20 114.93 116.40 1b4s h MET 94 Ca 0.35 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1b4s h MET 94 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1b4s h MET 94 CO -0.10 0.31 -0.20 0.82 1.06 0.00 0.00 176.91 178.80 1b4s h ILE 95 N 0.00 1.57 0.00 -1.22 2.04 0.69 0.15 117.51 120.75 1b4s h ILE 95 Ca -0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1b4s h ILE 95 Cb 0.80 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 1b4s h ILE 95 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 178.15 179.33 1b4s n GLY 96 N 1.08 0.08 3.33 5.37 0.00 -0.48 -1.29 105.19 113.29 1b4s n GLY 96 Ca -0.10 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 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 1.56 0.30 1.61 -7.23 -1.26 -4.75 120.40 110.63 1b4s s VAL 97 Ca 0.00 -2.16 0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1b4s s VAL 97 Cb 0.00 -2.07 0.39 0.00 0.56 0.00 0.00 36.38 35.26 1b4s s VAL 97 CO 0.00 -0.58 1.47 0.41 -0.31 0.00 0.00 175.10 176.09 1b4s n THR 98 N -0.37 -0.39 -3.32 5.32 -1.04 -1.26 -3.84 114.28 109.38 1b4s n THR 98 Ca -0.08 2.04 -0.42 0.00 -2.04 0.00 0.00 64.05 63.55 1b4s n THR 98 Cb 0.61 -3.01 -0.09 0.00 -1.82 0.00 0.00 70.33 66.02 1b4s n THR 98 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1b4s s ASN 99 N -4.96 6.22 0.57 8.00 3.04 -1.26 -4.70 114.94 121.85 1b4s s ASN 99 Ca -0.12 -0.36 0.27 0.00 0.04 0.00 0.00 52.86 52.69 1b4s s ASN 99 Cb 0.28 -2.23 1.52 0.00 -1.54 0.00 0.00 41.25 39.28 1b4s s ASN 99 CO 0.73 -0.48 2.04 -0.65 -3.04 0.00 0.00 177.10 175.70 1b4s h PRO 100 N 8.58 0.00 -0.53 0.43 0.11 -1.81 -0.97 132.00 137.81 1b4s h PRO 100 Ca -0.28 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 1b4s h PRO 100 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1b4s h PRO 100 CO 0.76 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.45 1b4s h LEU 101 N 0.00 0.95 -0.15 2.35 3.38 -1.77 -2.33 115.31 117.74 1b4s h LEU 101 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1b4s h LEU 101 Cb 0.70 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1b4s h LEU 101 CO -0.00 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.57 1b4s n ALA 102 N -2.47 2.10 -2.51 1.53 0.00 -0.44 -4.78 120.51 113.95 1b4s n ALA 102 Ca 0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1b4s n ALA 102 Cb 0.35 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -4.02 7.17 0.38 0.00 0.01 -0.75 -4.83 113.70 111.66 1b4s s SER 103 Ca 0.10 1.91 -0.26 0.00 1.31 0.00 0.00 55.95 59.00 1b4s s SER 103 Cb 0.13 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1b4s s SER 103 CO 0.51 -0.41 1.20 0.00 0.41 0.00 0.00 173.24 174.96 1b4s s ALA 104 N 1.04 3.24 0.27 1.44 0.00 -1.26 -4.14 121.76 122.35 1b4s s ALA 104 Ca 0.57 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 1b4s s ALA 104 Cb -0.27 -3.41 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 1b4s s ALA 104 CO 0.29 -0.56 1.61 -0.35 0.00 0.00 0.00 175.76 176.76 1b4s n PRO 105 N 0.30 2.66 0.00 0.00 -0.04 -1.26 -1.84 135.00 134.82 1b4s n PRO 105 Ca 0.03 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1b4s n PRO 105 Cb 0.45 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 2.61 1.19 3.91 0.55 0.00 -1.26 -4.99 105.19 107.20 1b4s n GLY 106 Ca 0.11 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.66 6.15 0.09 1.61 1.04 -0.77 -4.94 113.70 116.21 1b4s s SER 107 Ca 0.00 0.86 -0.28 0.00 0.48 0.00 0.00 55.95 57.01 1b4s s SER 107 Cb 0.00 -2.13 -0.15 0.00 0.10 0.00 0.00 66.02 63.83 1b4s s SER 107 CO 0.00 -0.65 1.67 0.40 0.98 0.00 0.00 173.24 175.64 1b4s h ILE 108 N 0.18 0.58 0.00 -1.02 2.04 -0.68 -0.73 117.51 117.89 1b4s h ILE 108 Ca -0.47 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 1b4s h ILE 108 Cb 1.21 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1b4s h ILE 108 CO 0.61 0.00 -0.50 0.03 0.00 0.00 0.00 178.15 178.29 1b4s h ARG 109 N -0.52 0.00 0.00 2.37 3.08 -1.44 -1.52 114.38 116.36 1b4s h ARG 109 Ca -0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1b4s h ARG 109 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1b4s h ARG 109 CO 0.04 0.50 -0.19 0.78 -1.07 0.00 0.00 179.97 180.04 1b4s h GLY 110 N 1.65 0.00 0.12 0.04 0.00 -1.62 -0.15 103.07 103.11 1b4s h GLY 110 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1b4s h GLY 110 CO 0.07 0.00 -2.15 1.22 0.00 0.00 0.00 176.54 175.68 1b4s n ASP 111 N -3.44 0.11 0.00 0.19 8.00 -0.31 -4.39 116.55 116.70 1b4s n ASP 111 Ca -0.00 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1b4s n ASP 111 Cb 0.37 1.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.69 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 -2.61 0.00 -3.76 1.24 3.01 -0.60 -5.08 117.46 109.67 1b4s n PHE 112 Ca -0.21 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.05 1b4s n PHE 112 Cb 0.93 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.37 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 -1.38 1.63 0.00 1.37 0.00 -0.07 -5.00 107.32 103.87 1b4s s GLY 113 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1b4s s GLY 113 CO 0.00 -1.48 0.00 -0.62 0.00 0.00 0.00 173.10 171.00 1b4s n VAL 114 N -1.43 0.00 -4.30 1.40 0.31 -1.26 -4.32 118.33 108.73 1b4s n VAL 114 Ca -0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.98 1b4s n VAL 114 Cb 0.59 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.43 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 -1.82 5.07 0.26 4.52 2.15 -1.26 -4.41 116.67 121.18 1b4s s ASP 115 Ca 0.00 -0.02 0.03 0.00 0.43 0.00 0.00 52.55 52.99 1b4s s ASP 115 Cb 0.00 -1.31 0.32 0.00 -0.30 0.00 0.00 42.92 41.63 1b4s s ASP 115 CO 0.00 0.28 1.63 0.58 -0.17 0.00 0.00 175.17 177.49 1b4s h VAL 116 N 3.55 1.32 0.00 1.11 2.07 -1.97 -2.86 116.25 119.47 1b4s h VAL 116 Ca -0.49 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1b4s h VAL 116 Cb 1.18 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1b4s h VAL 116 CO 0.57 0.50 0.00 1.23 0.02 0.00 0.00 177.57 179.89 1b4s h GLY 117 N 1.21 0.00 -5.33 2.17 0.00 -1.95 -3.30 103.07 95.87 1b4s h GLY 117 Ca 0.02 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.77 1b4s h GLY 117 CO 0.08 0.00 -0.71 0.54 0.00 0.00 0.00 176.54 176.45 1b4s n ARG 118 N -2.54 3.00 -1.13 4.80 5.12 -1.09 -4.93 116.66 119.89 1b4s n ARG 118 Ca 0.04 -4.68 -0.26 0.00 -1.93 0.00 0.00 57.85 51.02 1b4s n ARG 118 Cb 0.41 -2.18 0.08 0.00 -1.16 0.00 0.00 32.46 29.62 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 -0.20 6.39 0.00 0.55 0.23 -1.16 -4.30 115.26 116.77 1b4s n ASN 119 Ca 0.31 -3.48 0.00 0.00 -0.53 0.00 0.00 54.58 50.88 1b4s n ASN 119 Cb 0.43 -0.95 0.00 0.00 -2.08 0.00 0.00 39.78 37.18 1b4s n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1b4s n ILE 120 N -0.55 0.00 -3.92 1.53 -0.00 -1.26 -4.73 119.36 110.42 1b4s n ILE 120 Ca 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 63.16 1b4s n ILE 120 Cb 0.83 0.00 -0.10 0.00 -0.00 0.00 0.00 39.64 40.37 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 0.11 0.08 1.39 2.07 -1.26 -0.19 121.20 123.40 1b4s s ILE 121 Ca 0.00 -0.94 0.07 0.00 -1.41 0.00 0.00 60.65 58.37 1b4s s ILE 121 Cb 0.00 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.94 1b4s s ILE 121 CO 0.00 -0.52 -0.18 -0.83 -1.91 0.00 0.00 174.94 171.50 1b4s s GLY 122 N -1.75 1.08 0.08 1.50 0.00 0.09 -4.90 107.32 103.42 1b4s s GLY 122 Ca -0.10 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.37 1b4s s GLY 122 CO -0.02 -1.12 0.30 -0.32 0.00 0.00 0.00 173.10 171.94 1b4s s GLY 123 N -1.71 -0.10 0.36 0.20 0.00 -1.26 -0.76 107.32 104.06 1b4s s GLY 123 Ca 0.04 -0.21 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 1b4s s GLY 123 CO 0.03 -0.43 1.44 -0.56 0.00 0.00 0.00 173.10 173.58 1b4s s SER 124 N -2.54 6.46 0.00 1.64 0.01 -0.64 -4.93 113.70 113.70 1b4s s SER 124 Ca 0.01 2.95 0.24 0.00 1.31 0.00 0.00 55.95 60.45 1b4s s SER 124 Cb 0.02 -2.66 0.27 0.00 0.21 0.00 0.00 66.02 63.86 1b4s s SER 124 CO -0.08 -0.79 1.25 -0.90 0.41 0.00 0.00 173.24 173.13 1b4s n ASP 125 N 0.62 0.84 -3.56 2.44 5.68 -1.26 -4.79 116.55 116.52 1b4s n ASP 125 Ca 0.01 -0.66 -0.13 0.00 -0.50 0.00 0.00 54.79 53.51 1b4s n ASP 125 Cb 0.40 0.48 -0.05 0.00 -1.14 0.00 0.00 41.12 40.81 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 -2.89 -0.42 0.37 -1.12 1.04 -1.26 -4.91 113.70 104.50 1b4s s SER 126 Ca 0.12 0.08 0.09 0.00 0.48 0.00 0.00 55.95 56.72 1b4s s SER 126 Cb 0.17 0.50 0.83 0.00 0.10 0.00 0.00 66.02 67.63 1b4s s SER 126 CO 0.72 -0.77 1.91 0.58 0.98 0.00 0.00 173.24 176.65 1b4s h VAL 127 N 2.62 0.89 -0.17 5.02 2.07 -1.92 0.58 116.25 125.34 1b4s h VAL 127 Ca -0.32 -0.23 -0.21 0.00 0.82 0.00 0.00 66.70 66.76 1b4s h VAL 127 Cb 1.23 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1b4s h VAL 127 CO 0.42 0.12 -0.73 -0.33 0.02 0.00 0.00 177.57 177.06 1b4s h GLU 128 N 0.67 0.77 -0.11 1.57 3.07 -1.97 -1.52 114.58 117.05 1b4s h GLU 128 Ca 0.39 -0.60 -0.14 0.00 -0.50 0.00 0.00 59.36 58.51 1b4s h GLU 128 Cb 0.59 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1b4s h GLU 128 CO -0.16 1.21 -0.53 0.77 -1.40 0.00 0.00 179.01 178.90 1b4s h SER 129 N 0.54 0.35 -0.05 1.42 0.02 -1.45 -3.21 113.55 111.17 1b4s h SER 129 Ca -0.04 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1b4s h SER 129 Cb 1.35 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1b4s h SER 129 CO 0.15 0.81 0.02 0.00 -1.14 0.00 0.00 176.83 176.68 1b4s h ALA 130 N 1.19 0.06 -0.01 3.77 0.00 0.29 -1.47 119.26 123.10 1b4s h ALA 130 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1b4s h ALA 130 Cb 1.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1b4s h ALA 130 CO 0.09 -0.36 -0.15 -0.91 0.00 0.00 0.00 179.25 177.92 1b4s h ASN 131 N -0.08 0.02 0.00 0.00 2.35 -1.34 0.18 115.58 116.71 1b4s h ASN 131 Ca 0.02 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1b4s h ASN 131 Cb 0.16 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1b4s h ASN 131 CO -0.00 0.17 -0.00 -0.09 -1.65 0.00 0.00 177.43 175.86 1b4s h ARG 132 N 0.02 -0.01 -0.77 0.81 2.43 -1.54 -3.11 114.38 112.21 1b4s h ARG 132 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1b4s h ARG 132 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1b4s h ARG 132 CO 0.02 0.86 0.28 0.93 -1.51 0.00 0.00 179.97 180.55 1b4s h GLU 133 N -0.90 1.17 -0.15 0.20 5.08 -1.11 -1.19 114.58 117.67 1b4s h GLU 133 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1b4s h GLU 133 Cb 0.87 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1b4s h GLU 133 CO 0.00 0.96 0.06 0.82 -1.00 0.00 0.00 179.01 179.85 1b4s h ILE 134 N 1.13 1.07 0.00 3.13 2.04 -0.76 -1.18 117.51 122.94 1b4s h ILE 134 Ca 0.25 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1b4s h ILE 134 Cb 0.26 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1b4s h ILE 134 CO -0.02 0.08 -0.31 0.00 0.00 0.00 0.00 178.15 177.90 1b4s h ALA 135 N 1.86 0.84 -0.03 1.87 0.00 -1.24 -0.96 119.26 121.61 1b4s h ALA 135 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1b4s h ALA 135 Cb 0.05 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1b4s h ALA 135 CO -0.01 0.16 -0.35 -0.07 0.00 0.00 0.00 179.25 178.99 1b4s h LEU 136 N 0.00 0.35 0.00 0.00 3.38 -0.11 -3.36 115.31 115.57 1b4s h LEU 136 Ca -0.01 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1b4s h LEU 136 Cb 1.10 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1b4s h LEU 136 CO 0.02 1.02 -1.20 0.79 0.09 0.00 0.00 178.44 179.15 1b4s n TRP 137 N -4.42 0.84 -4.79 1.13 7.02 -0.64 -4.95 117.44 111.62 1b4s n TRP 137 Ca -0.09 0.25 -0.25 0.00 -1.02 0.00 0.00 57.50 56.39 1b4s n TRP 137 Cb 0.53 -0.92 -0.15 0.00 -2.42 0.00 0.00 31.31 28.36 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 -3.32 1.57 0.18 -5.99 0.08 -0.36 -5.10 117.98 105.04 1b4s s PHE 138 Ca -0.02 -0.31 -0.18 0.00 0.12 0.00 0.00 56.93 56.54 1b4s s PHE 138 Cb 0.10 -1.00 -0.08 0.00 -0.57 0.00 0.00 43.02 41.47 1b4s s PHE 138 CO 0.81 -0.01 0.66 0.15 -0.10 0.00 0.00 175.22 176.73 1b4s s LYS 139 N -0.53 4.19 0.47 0.44 1.02 -1.26 -4.44 119.74 119.63 1b4s s LYS 139 Ca 0.07 0.77 0.32 0.00 0.02 0.00 0.00 55.97 57.14 1b4s s LYS 139 Cb -0.07 -2.96 1.42 0.00 -0.52 0.00 0.00 37.83 35.70 1b4s s LYS 139 CO -0.00 0.46 1.68 -1.35 -0.92 0.00 0.00 175.35 175.22 1b4s h PRO 140 N 3.65 0.12 0.00 -1.68 0.11 -1.94 0.38 132.00 132.63 1b4s h PRO 140 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b4s h PRO 140 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b4s h PRO 140 CO 0.65 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 1b4s n GLU 141 N -4.47 0.12 0.00 1.05 0.00 -1.26 -2.53 120.64 113.55 1b4s n GLU 141 Ca 0.33 0.17 0.13 0.00 0.00 0.00 0.00 57.16 57.80 1b4s n GLU 141 Cb 1.35 -1.66 0.34 0.00 0.00 0.00 0.00 31.44 31.47 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 -1.88 1.49 -4.67 3.44 1.02 0.13 -4.89 120.64 115.28 1b4s n GLU 142 Ca 0.05 -1.01 -0.33 0.00 -0.02 0.00 0.00 57.16 55.85 1b4s n GLU 142 Cb 0.33 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 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 -2.21 2.97 0.17 -4.62 1.43 -1.05 -4.43 118.68 110.94 1b4s s LEU 143 Ca 0.30 -0.17 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 1b4s s LEU 143 Cb 0.20 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 1b4s s LEU 143 CO 0.41 0.25 1.50 -0.76 0.23 0.00 0.00 176.35 177.98 1b4s s LEU 144 N -0.16 4.37 -0.14 1.79 1.43 0.85 -4.96 118.68 121.87 1b4s s LEU 144 Ca 0.01 2.56 -0.09 0.00 -1.03 0.00 0.00 54.13 55.58 1b4s s LEU 144 Cb -0.13 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 1b4s s LEU 144 CO 0.03 -0.76 -0.11 0.71 0.23 0.00 0.00 176.35 176.46 1b4s h THR 145 N 3.97 0.10 -3.57 5.49 1.35 -1.91 -3.45 112.91 114.88 1b4s h THR 145 Ca -0.43 -1.11 -0.69 0.00 -0.55 0.00 0.00 66.41 63.63 1b4s h THR 145 Cb 1.21 0.22 -0.19 0.00 -1.73 0.00 0.00 68.15 67.66 1b4s h THR 145 CO 0.87 0.03 -0.29 -1.61 -0.25 0.00 0.00 175.52 174.28 1b4s s GLU 146 N -2.15 3.22 0.09 4.72 0.41 -1.26 -5.07 118.70 118.65 1b4s s GLU 146 Ca -0.14 -0.71 0.02 0.00 -0.41 0.00 0.00 54.97 53.72 1b4s s GLU 146 Cb 0.02 -3.92 -0.04 0.00 -1.78 0.00 0.00 34.13 28.41 1b4s s GLU 146 CO 0.22 -0.72 0.19 0.08 -0.49 0.00 0.00 175.26 174.54 1b4s s VAL 147 N 1.99 5.11 -0.40 2.63 1.01 -1.26 -5.10 120.40 124.39 1b4s s VAL 147 Ca 0.10 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1b4s s VAL 147 Cb -0.17 -3.52 0.16 0.00 0.00 0.00 0.00 36.38 32.85 1b4s s VAL 147 CO 0.12 0.08 0.35 -0.54 0.00 0.00 0.00 175.10 175.11 1b4s s LYS 148 N -2.65 0.79 1.10 2.72 3.01 -1.26 -5.15 119.74 118.30 1b4s s LYS 148 Ca 0.33 -1.63 -0.17 0.00 -1.01 0.00 0.00 55.97 53.49 1b4s s LYS 148 Cb -0.12 -1.14 0.24 0.00 -1.01 0.00 0.00 37.83 35.80 1b4s s LYS 148 CO 0.26 -1.31 1.18 -1.25 0.51 0.00 0.00 175.35 174.74 1b4s s PRO 149 N 0.59 -0.39 0.20 -1.68 0.04 -1.26 -4.92 135.00 127.58 1b4s s PRO 149 Ca 0.27 -0.13 -0.32 0.00 0.04 0.00 0.00 61.00 60.86 1b4s s PRO 149 Cb -0.06 -1.70 -0.12 0.00 0.04 0.00 0.00 34.50 32.66 1b4s s PRO 149 CO -0.11 -3.15 1.74 -1.71 0.04 0.00 0.00 177.00 173.82 1b4s n ASN 150 N -4.35 4.01 0.02 6.66 2.85 -1.26 -4.83 115.26 118.37 1b4s n ASN 150 Ca 0.13 1.05 0.04 0.00 -0.11 0.00 0.00 54.58 55.69 1b4s n ASN 150 Cb 0.59 -1.57 0.17 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 4.18 0.03 -0.12 1.20 -0.04 -1.26 -1.29 135.00 137.69 1b4s n PRO 151 Ca 0.16 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.16 1b4s n PRO 151 Cb 0.35 -1.57 0.29 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.62 1.80 -0.04 3.54 3.02 -1.26 -3.97 115.26 116.73 1b4s n ASN 152 Ca 0.01 -1.82 -0.16 0.00 -0.03 0.00 0.00 54.58 52.57 1b4s n ASN 152 Cb 0.06 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 38.93 1b4s n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b4s n LEU 153 N 0.43 1.98 -4.28 3.41 4.77 -0.41 -4.98 117.00 117.92 1b4s n LEU 153 Ca 0.15 0.17 -0.25 0.00 -0.03 0.00 0.00 56.01 56.04 1b4s n LEU 153 Cb 0.32 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 1b4s n LEU 153 CO 0.11 0.72 -0.53 -0.31 -1.33 0.00 0.00 177.39 176.05 1b4s s TYR 154 N -2.55 1.86 -2.28 -1.77 2.02 -1.25 -5.12 117.35 108.26 1b4s s TYR 154 Ca -0.19 -0.39 0.30 0.00 -0.37 0.00 0.00 57.07 56.41 1b4s s TYR 154 Cb 0.07 -1.08 1.43 0.00 -0.40 0.00 0.00 41.96 41.98 1b4s s TYR 154 CO 0.76 0.15 1.96 -1.91 -1.57 0.00 0.00 175.55 174.93