#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x8q n THR 3 N -0.09 0.00 -4.57 0.00 -2.24 -1.26 -4.98 114.28 101.14 1x8q n THR 3 Ca -0.00 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.19 1x8q n THR 3 Cb 0.52 1.09 -0.12 0.00 -2.10 0.00 0.00 70.33 69.72 1x8q n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1x8q s LYS 4 N -0.41 3.20 -0.82 -0.78 -0.14 -1.26 -5.04 119.74 114.49 1x8q s LYS 4 Ca 0.00 -0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 53.89 1x8q s LYS 4 Cb 0.00 -2.72 0.18 0.00 -1.68 0.00 0.00 37.83 33.62 1x8q s LYS 4 CO 0.00 0.43 0.84 1.21 -0.76 0.00 0.00 175.35 177.07 1x8q s ASN 5 N -0.19 6.66 0.31 2.83 2.47 -1.26 -5.04 114.94 120.72 1x8q s ASN 5 Ca 0.02 -2.39 -0.29 0.00 0.42 0.00 0.00 52.86 50.62 1x8q s ASN 5 Cb -0.13 -2.26 -0.10 0.00 -1.45 0.00 0.00 41.25 37.30 1x8q s ASN 5 CO 0.03 -0.75 1.37 0.00 -3.72 0.00 0.00 177.10 174.02 1x8q s ALA 6 N 1.05 3.54 -0.16 1.71 0.00 -1.26 -4.99 121.76 121.65 1x8q s ALA 6 Ca 0.20 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 1x8q s ALA 6 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1x8q s ALA 6 CO -0.07 -0.72 0.48 0.42 0.00 0.00 0.00 175.76 175.87 1x8q s ILE 7 N -0.77 5.16 0.61 0.00 -1.09 -1.26 -5.02 121.20 118.84 1x8q s ILE 7 Ca 0.53 0.91 -0.16 0.00 -2.23 0.00 0.00 60.65 59.69 1x8q s ILE 7 Cb -0.41 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1x8q s ILE 7 CO 0.51 0.26 1.09 0.00 -1.23 0.00 0.00 174.94 175.57 1x8q s ALA 8 N 1.08 2.61 0.21 9.38 0.00 -1.26 -4.36 121.76 129.42 1x8q s ALA 8 Ca 0.24 0.54 -0.32 0.00 0.00 0.00 0.00 51.96 52.42 1x8q s ALA 8 Cb -0.15 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.54 1x8q s ALA 8 CO 0.09 -1.01 1.49 0.94 0.00 0.00 0.00 175.76 177.28 1x8q n GLN 9 N -2.07 2.14 -1.93 0.00 7.27 -0.08 -4.91 117.38 117.81 1x8q n GLN 9 Ca 0.10 0.77 -0.42 0.00 0.07 0.00 0.00 57.00 57.52 1x8q n GLN 9 Cb 0.52 -2.48 -0.03 0.00 2.41 0.00 0.00 30.24 30.66 1x8q n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x8q s THR 10 N 0.35 2.57 -0.93 1.69 2.01 -1.26 -2.31 115.64 117.75 1x8q s THR 10 Ca 0.72 0.42 0.00 0.00 0.31 0.00 0.00 61.69 63.14 1x8q s THR 10 Cb -0.65 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 68.59 1x8q s THR 10 CO 0.45 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1x8q n GLY 11 N 3.48 0.67 3.62 4.40 0.00 -1.26 -4.94 105.19 111.16 1x8q n GLY 11 Ca 0.13 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 1x8q n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1x8q n PHE 12 N -3.22 1.75 -3.37 1.61 7.35 -0.98 -4.91 117.46 115.68 1x8q n PHE 12 Ca -0.10 0.54 -0.45 0.00 -0.76 0.00 0.00 57.45 56.67 1x8q n PHE 12 Cb 0.42 -2.38 -0.04 0.00 0.35 0.00 0.00 39.48 37.83 1x8q n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1x8q s ASN 13 N 0.27 6.42 0.20 -2.13 3.84 -1.26 -4.94 114.94 117.35 1x8q s ASN 13 Ca 0.74 -2.44 -0.08 0.00 0.21 0.00 0.00 52.86 51.29 1x8q s ASN 13 Cb -0.77 -2.17 0.14 0.00 -0.55 0.00 0.00 41.25 37.90 1x8q s ASN 13 CO 0.49 -0.63 1.70 0.07 -2.79 0.00 0.00 177.10 175.93 1x8q h LYS 14 N 8.03 1.07 -0.28 0.43 2.10 -2.00 -2.41 116.57 123.50 1x8q h LYS 14 Ca -0.02 -0.29 -0.09 0.00 -2.00 0.00 0.00 60.65 58.25 1x8q h LYS 14 Cb 1.05 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.24 1x8q h LYS 14 CO 0.83 0.99 -0.19 -0.44 -2.00 0.00 0.00 179.45 178.64 1x8q h ASP 15 N 0.99 0.51 -0.36 7.07 3.32 -1.92 0.61 116.42 126.64 1x8q h ASP 15 Ca 0.19 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1x8q h ASP 15 Cb 0.46 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1x8q h ASP 15 CO 0.02 0.71 -0.22 0.11 -1.72 0.00 0.00 179.24 178.14 1x8q h LYS 16 N 0.46 0.78 -0.11 3.56 1.57 -1.95 -3.17 116.57 117.72 1x8q h LYS 16 Ca 0.08 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1x8q h LYS 16 Cb 0.60 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 1x8q h LYS 16 CO 0.04 0.99 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.91 1x8q h TYR 17 N 0.57 0.28 -1.32 -1.35 3.20 -1.13 -3.29 116.97 113.94 1x8q h TYR 17 Ca 0.07 -0.08 -0.75 0.00 3.14 0.00 0.00 58.73 61.12 1x8q h TYR 17 Cb 0.77 -0.06 -0.15 0.00 1.54 0.00 0.00 36.73 38.84 1x8q h TYR 17 CO 0.06 0.62 2.19 1.19 -1.64 0.00 0.00 178.16 180.58 1x8q n PHE 18 N -4.68 2.61 0.40 -3.82 3.72 0.18 -4.63 117.46 111.24 1x8q n PHE 18 Ca -0.07 -2.77 0.12 0.00 -0.05 0.00 0.00 57.45 54.68 1x8q n PHE 18 Cb 0.30 -1.73 0.20 0.00 -0.94 0.00 0.00 39.48 37.30 1x8q n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1x8q n ASN 19 N 1.44 3.41 0.00 4.37 6.94 -1.12 -3.77 115.26 126.52 1x8q n ASN 19 Ca 0.60 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1x8q n ASN 19 Cb 0.25 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1x8q n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x8q n GLY 20 N 1.48 0.83 4.00 4.83 0.00 0.55 -4.95 105.19 111.92 1x8q n GLY 20 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1x8q n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x8q s ASP 21 N -2.92 4.59 -0.04 1.61 2.15 -1.24 -4.68 116.67 116.15 1x8q s ASP 21 Ca 0.00 -0.42 -0.08 0.00 0.43 0.00 0.00 52.55 52.47 1x8q s ASP 21 Cb 0.00 -0.05 -0.05 0.00 -0.30 0.00 0.00 42.92 42.53 1x8q s ASP 21 CO 0.00 -1.68 0.25 -0.69 -0.17 0.00 0.00 175.17 172.88 1x8q s VAL 22 N -3.00 5.32 -0.07 1.11 1.01 -1.26 -2.59 120.40 120.92 1x8q s VAL 22 Ca 0.64 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1x8q s VAL 22 Cb -0.06 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1x8q s VAL 22 CO 0.43 0.49 -0.24 0.26 0.00 0.00 0.00 175.10 176.04 1x8q s TRP 23 N -1.17 2.50 -0.12 5.22 0.52 0.67 -4.62 118.94 121.94 1x8q s TRP 23 Ca 0.23 -0.75 -0.04 0.00 0.02 0.00 0.00 56.10 55.55 1x8q s TRP 23 Cb -0.13 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1x8q s TRP 23 CO 0.12 -0.24 0.04 0.71 0.02 0.00 0.00 176.95 177.60 1x8q s TYR 24 N -0.07 3.27 -0.17 -1.98 2.02 -0.24 -0.91 117.35 119.28 1x8q s TYR 24 Ca -0.06 0.23 -0.29 0.00 -0.37 0.00 0.00 57.07 56.57 1x8q s TYR 24 Cb -0.15 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1x8q s TYR 24 CO 0.05 0.45 1.16 0.08 -1.57 0.00 0.00 175.55 175.72 1x8q s VAL 25 N -0.62 4.45 -0.11 0.71 1.01 -0.48 -1.22 120.40 124.14 1x8q s VAL 25 Ca 0.11 1.75 0.19 0.00 0.00 0.00 0.00 61.98 64.03 1x8q s VAL 25 Cb -0.12 -4.13 -0.28 0.00 0.00 0.00 0.00 36.38 31.85 1x8q s VAL 25 CO 0.02 -0.13 0.26 0.35 0.00 0.00 0.00 175.10 175.60 1x8q n THR 26 N 5.22 0.70 -3.68 3.92 -2.24 -0.11 -4.65 114.28 113.44 1x8q n THR 26 Ca 0.13 -0.66 -0.15 0.00 -2.27 0.00 0.00 64.05 61.10 1x8q n THR 26 Cb 0.46 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.36 1x8q n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1x8q s ASP 27 N -4.94 -0.42 0.07 3.42 1.11 -1.19 -1.16 116.67 113.56 1x8q s ASP 27 Ca -0.09 0.55 -0.06 0.00 0.18 0.00 0.00 52.55 53.13 1x8q s ASP 27 Cb 0.09 0.60 -0.01 0.00 1.07 0.00 0.00 42.92 44.67 1x8q s ASP 27 CO 0.84 -0.40 0.12 -0.72 1.18 0.00 0.00 175.17 176.18 1x8q s TYR 28 N -0.78 0.25 -0.12 4.23 1.13 -0.05 -0.78 117.35 121.23 1x8q s TYR 28 Ca -0.08 -0.67 -0.04 0.00 -1.41 0.00 0.00 57.07 54.87 1x8q s TYR 28 Cb -0.03 -0.15 0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1x8q s TYR 28 CO 0.05 -0.46 0.09 -1.17 -2.51 0.00 0.00 175.55 171.55 1x8q s LEU 29 N -2.70 0.20 -0.34 -3.49 2.96 -0.00 -0.30 118.68 115.01 1x8q s LEU 29 Ca 0.03 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 1x8q s LEU 29 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.61 1x8q s LEU 29 CO -0.09 -0.30 0.36 -0.62 -1.32 0.00 0.00 176.35 174.37 1x8q s ASP 30 N 2.18 6.18 0.07 3.68 -1.08 -1.26 -0.62 116.67 125.81 1x8q s ASP 30 Ca 0.04 -0.19 0.22 0.00 -0.52 0.00 0.00 52.55 52.09 1x8q s ASP 30 Cb -0.14 -2.20 0.89 0.00 -1.46 0.00 0.00 42.92 40.01 1x8q s ASP 30 CO -0.07 -0.32 1.68 0.18 0.52 0.00 0.00 175.17 177.16 1x8q n LEU 31 N 5.37 0.21 -3.55 -1.34 4.77 -0.14 -2.78 117.00 119.54 1x8q n LEU 31 Ca -0.09 0.54 -0.34 0.00 -0.03 0.00 0.00 56.01 56.09 1x8q n LEU 31 Cb 0.49 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1x8q n LEU 31 CO 0.40 -0.22 0.60 1.21 -1.33 0.00 0.00 177.39 178.05 1x8q n GLU 32 N -1.71 3.65 -0.15 3.23 2.13 -1.26 -4.95 120.64 121.57 1x8q n GLU 32 Ca 0.05 -4.67 0.13 0.00 0.66 0.00 0.00 57.16 53.33 1x8q n GLU 32 Cb 0.26 -2.36 0.48 0.00 0.27 0.00 0.00 31.44 30.09 1x8q n GLU 32 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1x8q h PRO 33 N 4.37 0.46 0.00 5.31 0.13 -1.90 0.20 132.00 140.57 1x8q h PRO 33 Ca 0.23 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1x8q h PRO 33 Cb 0.57 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1x8q h PRO 33 CO 1.04 0.30 0.00 -0.25 -0.23 0.00 0.00 178.00 178.86 1x8q n ASP 34 N -4.48 0.00 0.15 1.44 10.43 -1.26 -2.86 116.55 119.97 1x8q n ASP 34 Ca 0.13 -1.37 0.03 0.00 2.57 0.00 0.00 54.79 56.15 1x8q n ASP 34 Cb 0.45 0.00 0.13 0.00 1.84 0.00 0.00 41.12 43.54 1x8q n ASP 34 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1x8q h ASP 35 N 0.00 0.00 -4.25 -2.24 5.19 -0.94 -3.46 116.42 110.72 1x8q h ASP 35 Ca 0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 1x8q h ASP 35 Cb 0.00 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.35 1x8q h ASP 35 CO 0.00 0.49 -0.72 0.68 -3.12 0.00 0.00 179.24 176.57 1x8q s VAL 36 N -3.16 1.01 0.87 -1.35 -7.23 -1.13 -5.05 120.40 104.34 1x8q s VAL 36 Ca 0.02 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 1x8q s VAL 36 Cb 0.09 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.56 1x8q s VAL 36 CO 0.73 -0.66 1.09 -2.84 -0.31 0.00 0.00 175.10 173.12 1x8q s PRO 37 N -3.24 1.49 0.01 4.82 0.02 -1.26 -4.95 135.00 131.89 1x8q s PRO 37 Ca 0.10 1.02 0.28 0.00 0.02 0.00 0.00 61.00 62.42 1x8q s PRO 37 Cb -0.00 -1.82 1.11 0.00 0.02 0.00 0.00 34.50 33.81 1x8q s PRO 37 CO -0.00 -2.13 1.85 1.17 -0.33 0.00 0.00 177.00 177.55 1x8q n LYS 38 N -3.84 0.02 -4.00 5.54 4.81 -1.26 -4.65 118.16 114.78 1x8q n LYS 38 Ca 0.08 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.24 1x8q n LYS 38 Cb 0.54 -1.52 -0.16 0.00 0.02 0.00 0.00 35.03 33.91 1x8q n LYS 38 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1x8q s ARG 39 N -3.01 2.19 0.18 1.64 0.52 -1.26 -4.95 118.95 114.26 1x8q s ARG 39 Ca 0.13 -0.55 -0.20 0.00 -0.52 0.00 0.00 55.73 54.60 1x8q s ARG 39 Cb 0.18 -2.08 0.04 0.00 0.52 0.00 0.00 34.95 33.62 1x8q s ARG 39 CO 0.56 -0.26 0.54 -0.47 0.02 0.00 0.00 175.30 175.69 1x8q s TYR 40 N 1.51 -0.30 0.01 -0.53 6.14 -1.26 -4.47 117.35 118.44 1x8q s TYR 40 Ca 0.04 0.00 -0.01 0.00 0.64 0.00 0.00 57.07 57.75 1x8q s TYR 40 Cb -0.13 0.46 -0.01 0.00 0.42 0.00 0.00 41.96 42.70 1x8q s TYR 40 CO -0.10 -0.88 -0.00 0.00 0.64 0.00 0.00 175.55 175.21 1x8q s ALA 42 N -0.82 -1.45 0.21 0.00 0.00 -1.26 -0.84 121.76 117.60 1x8q s ALA 42 Ca -0.09 0.97 -0.16 0.00 0.00 0.00 0.00 51.96 52.68 1x8q s ALA 42 Cb -0.06 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1x8q s ALA 42 CO -0.00 -0.35 0.51 0.00 0.00 0.00 0.00 175.76 175.92 1x8q s ALA 43 N -1.34 -0.75 0.08 0.00 0.00 -0.67 -1.38 121.76 117.70 1x8q s ALA 43 Ca -0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 1x8q s ALA 43 Cb -0.02 0.89 0.01 0.00 0.00 0.00 0.00 23.12 24.01 1x8q s ALA 43 CO 0.07 -0.82 0.28 -0.48 0.00 0.00 0.00 175.76 174.81 1x8q s LEU 44 N -2.91 0.99 0.14 0.00 2.34 -0.09 -0.97 118.68 118.18 1x8q s LEU 44 Ca 0.12 -0.42 0.08 0.00 0.06 0.00 0.00 54.13 53.98 1x8q s LEU 44 Cb -0.01 1.34 -0.04 0.00 -0.56 0.00 0.00 46.19 46.92 1x8q s LEU 44 CO 0.00 -0.72 -0.10 0.00 -1.06 0.00 0.00 176.35 174.47 1x8q s ALA 45 N -3.43 2.94 -0.06 1.48 0.00 0.21 -0.24 121.76 122.67 1x8q s ALA 45 Ca 0.01 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 1x8q s ALA 45 Cb 0.02 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.37 1x8q s ALA 45 CO -0.09 0.55 0.13 0.00 0.00 0.00 0.00 175.76 176.35 1x8q s ALA 46 N -1.45 -0.19 0.02 0.00 0.00 -1.07 -1.14 121.76 117.94 1x8q s ALA 46 Ca 0.23 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 1x8q s ALA 46 Cb -0.10 -0.46 0.11 0.00 0.00 0.00 0.00 23.12 22.67 1x8q s ALA 46 CO 0.14 -0.19 1.22 0.20 0.00 0.00 0.00 175.76 177.13 1x8q s GLY 47 N 1.29 -0.36 -0.17 0.00 0.00 -0.63 -0.33 107.32 107.12 1x8q s GLY 47 Ca -0.08 0.53 -0.13 0.00 0.00 0.00 0.00 44.72 45.04 1x8q s GLY 47 CO -0.05 0.37 0.26 -1.59 0.00 0.00 0.00 173.10 172.09 1x8q s THR 48 N -2.57 5.33 -0.19 0.90 2.01 -1.25 -0.64 115.64 119.23 1x8q s THR 48 Ca 0.15 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1x8q s THR 48 Cb 0.03 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.98 1x8q s THR 48 CO -0.02 0.40 -0.10 0.00 -0.69 0.00 0.00 174.62 174.21 1x8q s ALA 49 N 0.44 1.88 -1.49 7.40 0.00 0.02 -4.75 121.76 125.25 1x8q s ALA 49 Ca 0.15 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1x8q s ALA 49 Cb -0.13 -1.23 0.05 0.00 0.00 0.00 0.00 23.12 21.82 1x8q s ALA 49 CO 0.03 -0.77 0.57 0.43 0.00 0.00 0.00 175.76 176.02 1x8q n SER 50 N 4.73 -1.49 0.00 0.00 7.64 -1.26 -1.32 113.62 121.92 1x8q n SER 50 Ca -0.14 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1x8q n SER 50 Cb 0.47 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.60 1x8q n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x8q n GLY 51 N -1.80 1.78 3.66 0.23 0.00 -1.26 -5.02 105.19 102.78 1x8q n GLY 51 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1x8q n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8q s LYS 52 N -0.25 3.55 -0.11 1.61 -0.14 -0.43 -5.08 119.74 118.90 1x8q s LYS 52 Ca 0.00 -0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 53.95 1x8q s LYS 52 Cb 0.00 -3.03 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 1x8q s LYS 52 CO 0.00 0.47 1.04 -1.17 -0.76 0.00 0.00 175.35 174.93 1x8q s LEU 53 N -0.21 4.24 0.09 3.17 2.96 -1.26 -0.80 118.68 126.87 1x8q s LEU 53 Ca 0.07 1.57 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 1x8q s LEU 53 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1x8q s LEU 53 CO 0.02 -0.49 -0.09 -0.54 -1.32 0.00 0.00 176.35 173.93 1x8q s LYS 54 N 2.13 0.82 -0.10 1.98 -0.14 0.18 -1.64 119.74 122.99 1x8q s LYS 54 Ca 0.49 -1.18 -0.05 0.00 -1.36 0.00 0.00 55.97 53.88 1x8q s LYS 54 Cb -0.19 -0.43 0.05 0.00 -1.68 0.00 0.00 37.83 35.57 1x8q s LYS 54 CO 0.18 0.05 0.22 -2.00 -0.76 0.00 0.00 175.35 173.04 1x8q s GLU 55 N -2.97 0.17 -0.15 1.68 2.12 -0.31 -1.61 118.70 117.63 1x8q s GLU 55 Ca 0.06 0.51 -0.04 0.00 0.36 0.00 0.00 54.97 55.87 1x8q s GLU 55 Cb -0.01 -0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.21 1x8q s GLU 55 CO -0.01 -0.18 -0.03 0.00 -0.54 0.00 0.00 175.26 174.51 1x8q s ALA 56 N 1.35 3.06 0.14 6.30 0.00 -0.29 -0.05 121.76 132.28 1x8q s ALA 56 Ca -0.08 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.16 1x8q s ALA 56 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1x8q s ALA 56 CO -0.08 0.27 -0.17 -0.51 0.00 0.00 0.00 175.76 175.28 1x8q s LEU 57 N 0.16 2.74 -0.03 0.00 1.43 0.18 -0.62 118.68 122.54 1x8q s LEU 57 Ca -0.01 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1x8q s LEU 57 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1x8q s LEU 57 CO 0.03 0.15 -0.02 -0.47 0.23 0.00 0.00 176.35 176.26 1x8q s TYR 58 N -1.37 0.49 -0.01 0.29 5.04 -0.14 -1.57 117.35 120.07 1x8q s TYR 58 Ca 0.20 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.81 1x8q s TYR 58 Cb -0.10 -0.48 -0.02 0.00 0.35 0.00 0.00 41.96 41.71 1x8q s TYR 58 CO 0.11 -0.13 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.98 1x8q s HIS 59 N 0.82 1.78 -0.15 4.97 3.76 -0.40 -1.67 115.29 124.39 1x8q s HIS 59 Ca -0.09 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.41 1x8q s HIS 59 Cb -0.12 -1.14 0.06 0.00 1.11 0.00 0.00 32.58 32.49 1x8q s HIS 59 CO -0.01 -0.02 0.34 -0.47 -0.85 0.00 0.00 174.74 173.73 1x8q s TYR 60 N -0.49 -0.54 -0.38 1.40 5.04 -0.02 -1.76 117.35 120.60 1x8q s TYR 60 Ca 0.08 1.15 -0.20 0.00 -2.44 0.00 0.00 57.07 55.66 1x8q s TYR 60 Cb -0.08 0.15 0.01 0.00 0.35 0.00 0.00 41.96 42.39 1x8q s TYR 60 CO -0.01 -0.35 0.62 0.34 -1.34 0.00 0.00 175.55 174.82 1x8q s ASP 61 N 1.89 6.39 0.38 4.32 -1.08 -0.18 -0.93 116.67 127.46 1x8q s ASP 61 Ca -0.05 -0.00 0.28 0.00 -0.52 0.00 0.00 52.55 52.26 1x8q s ASP 61 Cb -0.11 -2.32 1.10 0.00 -1.46 0.00 0.00 42.92 40.14 1x8q s ASP 61 CO -0.11 -0.63 1.82 1.55 0.52 0.00 0.00 175.17 178.32 1x8q h PRO 62 N 8.57 0.00 0.02 4.34 0.13 -1.89 0.17 132.00 143.34 1x8q h PRO 62 Ca -0.26 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.64 1x8q h PRO 62 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 1x8q h PRO 62 CO 0.84 0.00 -1.21 0.87 -0.23 0.00 0.00 178.00 178.28 1x8q h LYS 63 N 0.00 0.04 0.00 0.86 1.79 -1.92 -3.40 116.57 113.94 1x8q h LYS 63 Ca 0.00 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1x8q h LYS 63 Cb 0.48 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1x8q h LYS 63 CO 0.00 1.03 -0.54 1.79 -1.08 0.00 0.00 179.45 180.66 1x8q h THR 64 N -0.85 0.00 -0.00 -0.16 1.35 -1.96 -3.47 112.91 107.81 1x8q h THR 64 Ca -0.32 -0.93 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1x8q h THR 64 Cb 1.37 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1x8q h THR 64 CO -0.14 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.13 1x8q n GLN 65 N -2.78 -0.82 -1.77 4.72 6.02 0.58 -5.00 117.38 118.33 1x8q n GLN 65 Ca 0.02 0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 1x8q n GLN 65 Cb 0.53 -3.83 -0.02 0.00 1.02 0.00 0.00 30.24 27.93 1x8q n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1x8q s ASP 66 N -2.01 6.40 -0.01 1.08 2.15 -1.24 -4.76 116.67 118.29 1x8q s ASP 66 Ca 0.00 2.87 -0.17 0.00 0.43 0.00 0.00 52.55 55.68 1x8q s ASP 66 Cb 0.00 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 40.04 1x8q s ASP 66 CO 0.00 -0.93 0.37 0.28 -0.17 0.00 0.00 175.17 174.72 1x8q s THR 67 N 0.72 0.05 -0.08 1.71 -1.32 -1.26 -1.01 115.64 114.45 1x8q s THR 67 Ca 0.70 -0.43 -0.31 0.00 -1.21 0.00 0.00 61.69 60.44 1x8q s THR 67 Cb -0.48 -0.74 0.08 0.00 -1.51 0.00 0.00 72.50 69.85 1x8q s THR 67 CO 0.38 -0.24 0.73 0.72 -2.21 0.00 0.00 174.62 174.00 1x8q s PHE 68 N -1.57 -0.63 0.16 9.09 -0.71 -0.72 -5.02 117.98 118.59 1x8q s PHE 68 Ca -0.11 1.10 0.08 0.00 -1.04 0.00 0.00 56.93 56.96 1x8q s PHE 68 Cb -0.04 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 1x8q s PHE 68 CO 0.03 -0.56 -0.04 0.71 -1.34 0.00 0.00 175.22 174.02 1x8q s TYR 69 N -1.09 2.77 0.02 3.49 1.51 -1.24 -1.28 117.35 121.53 1x8q s TYR 69 Ca -0.09 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1x8q s TYR 69 Cb -0.00 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1x8q s TYR 69 CO 0.08 0.50 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.51 1x8q s ASP 70 N -2.80 0.25 -0.05 2.29 1.11 -0.61 -1.44 116.67 115.42 1x8q s ASP 70 Ca 0.26 -0.53 0.05 0.00 0.18 0.00 0.00 52.55 52.51 1x8q s ASP 70 Cb -0.09 0.12 -0.01 0.00 1.07 0.00 0.00 42.92 44.01 1x8q s ASP 70 CO 0.17 -0.35 -0.21 -0.69 1.18 0.00 0.00 175.17 175.27 1x8q s VAL 71 N -1.77 1.76 -0.05 -1.27 1.01 -0.38 -0.65 120.40 119.04 1x8q s VAL 71 Ca -0.13 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 60.99 1x8q s VAL 71 Cb -0.07 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1x8q s VAL 71 CO -0.02 0.50 -0.16 -0.44 0.00 0.00 0.00 175.10 174.97 1x8q s SER 72 N -0.08 2.13 -0.24 3.32 0.01 0.93 -1.31 113.70 118.46 1x8q s SER 72 Ca -0.04 -0.35 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1x8q s SER 72 Cb -0.13 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 1x8q s SER 72 CO 0.03 0.13 0.11 -1.61 0.41 0.00 0.00 173.24 172.30 1x8q s GLU 73 N 0.19 3.83 -0.18 12.44 2.02 -1.24 -1.16 118.70 134.59 1x8q s GLU 73 Ca -0.07 -0.39 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 1x8q s GLU 73 Cb -0.13 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 1x8q s GLU 73 CO 0.03 -0.07 0.18 -0.51 0.02 0.00 0.00 175.26 174.90 1x8q s LEU 74 N 1.35 4.24 -0.01 1.80 1.02 -0.65 -1.70 118.68 124.73 1x8q s LEU 74 Ca 0.06 0.33 -0.00 0.00 0.02 0.00 0.00 54.13 54.53 1x8q s LEU 74 Cb -0.15 -2.17 -0.04 0.00 0.02 0.00 0.00 46.19 43.86 1x8q s LEU 74 CO 0.05 0.18 0.06 -1.10 0.02 0.00 0.00 176.35 175.56 1x8q s GLN 75 N 0.26 3.00 -0.12 1.70 -1.52 0.07 -4.60 119.66 118.45 1x8q s GLN 75 Ca 0.11 -0.51 -0.22 0.00 -1.95 0.00 0.00 55.36 52.79 1x8q s GLN 75 Cb -0.12 -2.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.83 1x8q s GLN 75 CO 0.00 0.64 0.66 0.08 -0.25 0.00 0.00 175.29 176.42 1x8q s VAL 76 N -1.16 5.05 -0.21 1.09 1.01 -1.26 -1.31 120.40 123.62 1x8q s VAL 76 Ca 0.22 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 1x8q s VAL 76 Cb -0.12 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.07 1x8q s VAL 76 CO 0.13 0.21 -0.00 -0.62 0.00 0.00 0.00 175.10 174.81 1x8q n GLU 77 N 4.23 0.69 -2.19 2.72 -0.58 0.05 -4.94 120.64 120.61 1x8q n GLU 77 Ca -0.02 0.20 -0.01 0.00 -0.42 0.00 0.00 57.16 56.92 1x8q n GLU 77 Cb 0.51 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1x8q n GLU 77 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1x8q n SER 78 N -3.38 -0.48 -4.63 1.62 3.41 -1.05 -5.02 113.62 104.10 1x8q n SER 78 Ca -0.41 -1.23 -0.45 0.00 -0.26 0.00 0.00 58.87 56.51 1x8q n SER 78 Cb 1.01 0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 65.69 1x8q n SER 78 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1x8q n LEU 79 N 0.00 3.45 -1.36 1.04 7.94 -1.26 -1.99 117.00 124.81 1x8q n LEU 79 Ca -0.00 0.67 -0.17 0.00 -1.11 0.00 0.00 56.01 55.40 1x8q n LEU 79 Cb 0.17 -1.45 -0.07 0.00 0.53 0.00 0.00 43.42 42.60 1x8q n LEU 79 CO 0.06 -0.24 -0.17 0.61 -1.11 0.00 0.00 177.39 176.55 1x8q n GLY 80 N 5.08 1.51 2.87 -3.96 0.00 -1.26 -4.65 105.19 104.78 1x8q n GLY 80 Ca 0.26 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1x8q n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x8q s LYS 81 N -3.57 1.05 0.09 1.61 1.02 -0.84 -0.96 119.74 118.13 1x8q s LYS 81 Ca 0.00 -0.11 0.03 0.00 0.02 0.00 0.00 55.97 55.91 1x8q s LYS 81 Cb 0.00 -1.16 -0.04 0.00 -0.52 0.00 0.00 37.83 36.11 1x8q s LYS 81 CO 0.00 -0.20 -0.09 0.71 -0.92 0.00 0.00 175.35 174.85 1x8q s TYR 82 N 1.47 0.97 -0.13 3.18 2.02 0.03 -0.77 117.35 124.11 1x8q s TYR 82 Ca -0.02 -0.68 0.01 0.00 -0.37 0.00 0.00 57.07 56.02 1x8q s TYR 82 Cb -0.13 -0.54 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 1x8q s TYR 82 CO -0.04 -0.04 -0.18 0.99 -1.57 0.00 0.00 175.55 174.71 1x8q s THR 83 N -2.50 2.49 -0.08 -0.71 2.01 -0.42 -0.86 115.64 115.57 1x8q s THR 83 Ca 0.04 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.25 1x8q s THR 83 Cb -0.02 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 1x8q s THR 83 CO -0.01 0.53 -0.24 0.00 -0.69 0.00 0.00 174.62 174.21 1x8q s ALA 84 N 0.62 2.19 0.80 7.40 0.00 0.51 -0.75 121.76 132.52 1x8q s ALA 84 Ca -0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 1x8q s ALA 84 Cb -0.16 -0.76 0.10 0.00 0.00 0.00 0.00 23.12 22.30 1x8q s ALA 84 CO 0.03 0.35 1.14 0.54 0.00 0.00 0.00 175.76 177.82 1x8q s ASN 85 N 0.08 4.31 -0.12 0.00 2.20 -0.69 -1.04 114.94 119.68 1x8q s ASN 85 Ca -0.11 0.47 -0.17 0.00 -0.94 0.00 0.00 52.86 52.11 1x8q s ASN 85 Cb -0.16 -0.92 0.04 0.00 -2.00 0.00 0.00 41.25 38.22 1x8q s ASN 85 CO 0.06 -1.97 0.45 0.72 -2.94 0.00 0.00 177.10 173.42 1x8q s PHE 86 N -3.49 -0.44 -0.07 1.54 -0.12 -1.25 -3.68 117.98 110.47 1x8q s PHE 86 Ca 0.64 0.98 0.04 0.00 -0.05 0.00 0.00 56.93 58.54 1x8q s PHE 86 Cb -0.09 0.18 -0.00 0.00 -0.63 0.00 0.00 43.02 42.48 1x8q s PHE 86 CO 0.48 -0.32 -0.20 -1.59 -0.05 0.00 0.00 175.22 173.54 1x8q s LYS 87 N -0.31 2.30 0.13 1.99 -2.85 -0.43 -4.16 119.74 116.40 1x8q s LYS 87 Ca -0.05 -0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 53.91 1x8q s LYS 87 Cb -0.03 -1.87 -0.06 0.00 -2.06 0.00 0.00 37.83 33.80 1x8q s LYS 87 CO 0.03 0.22 1.04 0.21 0.10 0.00 0.00 175.35 176.94 1x8q s LYS 88 N 0.19 4.62 0.07 1.78 2.20 -0.63 -1.26 119.74 126.72 1x8q s LYS 88 Ca -0.10 1.59 0.01 0.00 -0.36 0.00 0.00 55.97 57.11 1x8q s LYS 88 Cb -0.15 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1x8q s LYS 88 CO 0.05 0.10 -0.05 0.14 -0.36 0.00 0.00 175.35 175.22 1x8q s VAL 89 N 0.05 0.50 1.07 4.02 -7.23 -0.52 -0.40 120.40 117.89 1x8q s VAL 89 Ca 0.49 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 58.76 1x8q s VAL 89 Cb -0.26 -1.42 0.24 0.00 0.56 0.00 0.00 36.38 35.50 1x8q s VAL 89 CO 0.32 -0.83 1.24 1.51 -0.31 0.00 0.00 175.10 177.03 1x8q s ASP 90 N -2.73 2.11 0.53 4.85 1.47 -0.29 -3.66 116.67 118.95 1x8q s ASP 90 Ca 0.06 0.40 0.35 0.00 1.18 0.00 0.00 52.55 54.55 1x8q s ASP 90 Cb 0.03 -0.51 1.76 0.00 -0.34 0.00 0.00 42.92 43.87 1x8q s ASP 90 CO -0.05 -3.37 2.07 0.07 0.68 0.00 0.00 175.17 174.57 1x8q h LYS 91 N -2.07 0.00 -0.21 2.11 2.10 -1.96 -0.75 116.57 115.80 1x8q h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1x8q h LYS 91 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1x8q h LYS 91 CO 0.35 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.89 1x8q n ASN 92 N -2.85 2.56 0.00 7.07 5.03 -1.26 -4.77 115.26 121.04 1x8q n ASN 92 Ca -0.01 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1x8q n ASN 92 Cb 0.15 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 1x8q n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1x8q n GLY 93 N 1.32 0.75 3.73 7.41 0.00 -0.29 -5.00 105.19 113.11 1x8q n GLY 93 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1x8q n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x8q s ASN 94 N -2.60 7.08 -0.03 1.61 0.01 -1.26 -4.78 114.94 114.98 1x8q s ASN 94 Ca 0.00 2.14 -0.30 0.00 -0.71 0.00 0.00 52.86 53.99 1x8q s ASN 94 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1x8q s ASN 94 CO 0.00 -0.42 1.22 -0.69 -1.51 0.00 0.00 177.10 175.70 1x8q s VAL 95 N 0.46 4.17 -0.23 1.60 1.01 -1.26 -1.14 120.40 125.01 1x8q s VAL 95 Ca 0.56 1.52 0.01 0.00 0.00 0.00 0.00 61.98 64.07 1x8q s VAL 95 Cb -0.31 -3.98 -0.19 0.00 0.00 0.00 0.00 36.38 31.90 1x8q s VAL 95 CO 0.33 0.02 -0.11 0.29 0.00 0.00 0.00 175.10 175.63 1x8q n LYS 96 N 4.97 0.67 -3.66 2.72 5.02 0.46 -4.93 118.16 123.41 1x8q n LYS 96 Ca 0.11 0.17 -0.23 0.00 -2.02 0.00 0.00 58.31 56.33 1x8q n LYS 96 Cb 0.46 -1.55 -0.18 0.00 -0.02 0.00 0.00 35.03 33.74 1x8q n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x8q s VAL 97 N -2.53 -0.01 0.81 -0.18 1.01 -0.88 -4.98 120.40 113.64 1x8q s VAL 97 Ca -0.32 0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1x8q s VAL 97 Cb 0.08 -0.39 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1x8q s VAL 97 CO 0.64 0.01 1.10 0.00 0.00 0.00 0.00 175.10 176.84 1x8q s ALA 98 N 2.12 2.07 0.28 5.51 0.00 -1.26 -1.61 121.76 128.87 1x8q s ALA 98 Ca 0.04 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1x8q s ALA 98 Cb -0.14 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1x8q s ALA 98 CO -0.06 -1.99 1.17 0.28 0.00 0.00 0.00 175.76 175.17 1x8q n VAL 99 N -3.68 1.69 -3.79 0.00 0.31 -1.26 -4.79 118.33 106.82 1x8q n VAL 99 Ca 0.09 -0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 1x8q n VAL 99 Cb 0.53 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.14 1x8q n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1x8q s THR 100 N -0.80 0.03 0.33 2.52 2.01 -1.26 -5.07 115.64 113.40 1x8q s THR 100 Ca 0.61 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 1x8q s THR 100 Cb -0.67 -0.46 -0.12 0.00 0.01 0.00 0.00 72.50 71.26 1x8q s THR 100 CO 0.58 -0.15 1.48 0.00 -0.69 0.00 0.00 174.62 175.84 1x8q n ALA 101 N 2.17 2.11 0.00 7.40 0.00 -1.26 -1.37 120.51 129.56 1x8q n ALA 101 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1x8q n ALA 101 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1x8q n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x8q n GLY 102 N 1.27 2.36 3.26 0.00 0.00 -1.26 -4.73 105.19 106.09 1x8q n GLY 102 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1x8q n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x8q s ASN 103 N -1.47 6.06 0.16 1.61 -0.87 -0.47 0.47 114.94 120.42 1x8q s ASN 103 Ca 0.00 -2.16 -0.16 0.00 -1.57 0.00 0.00 52.86 48.97 1x8q s ASN 103 Cb 0.00 -2.10 0.03 0.00 -0.02 0.00 0.00 41.25 39.15 1x8q s ASN 103 CO 0.00 -0.68 0.43 -0.72 -2.57 0.00 0.00 177.10 173.56 1x8q s TYR 104 N 0.99 -0.09 0.06 2.20 1.13 -0.63 -3.76 117.35 117.27 1x8q s TYR 104 Ca 0.09 -0.25 0.05 0.00 -1.41 0.00 0.00 57.07 55.55 1x8q s TYR 104 Cb -0.23 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 1x8q s TYR 104 CO -0.02 -0.78 -0.15 1.52 -2.51 0.00 0.00 175.55 173.61 1x8q s TYR 105 N -3.85 1.29 0.35 -3.49 1.13 -0.21 -0.56 117.35 112.01 1x8q s TYR 105 Ca 0.07 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.23 1x8q s TYR 105 Cb 0.01 -0.74 -0.06 0.00 -1.10 0.00 0.00 41.96 40.07 1x8q s TYR 105 CO -0.07 0.06 0.67 0.95 -2.51 0.00 0.00 175.55 174.66 1x8q s THR 106 N -1.10 4.89 -0.14 -3.49 -4.23 -0.49 -0.36 115.64 110.71 1x8q s THR 106 Ca 0.00 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 1x8q s THR 106 Cb -0.09 -3.73 0.07 0.00 1.34 0.00 0.00 72.50 70.09 1x8q s THR 106 CO 0.02 -0.42 0.24 0.12 -0.54 0.00 0.00 174.62 174.05 1x8q s PHE 107 N -2.23 -0.38 -0.10 3.99 5.36 -0.04 -2.57 117.98 122.02 1x8q s PHE 107 Ca 0.48 0.76 0.02 0.00 -0.96 0.00 0.00 56.93 57.23 1x8q s PHE 107 Cb -0.10 -0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.45 1x8q s PHE 107 CO 0.30 -0.41 -0.17 0.99 -1.46 0.00 0.00 175.22 174.48 1x8q s THR 108 N 2.39 1.57 -0.54 0.12 2.01 -0.02 -0.79 115.64 120.38 1x8q s THR 108 Ca 0.03 -0.70 -0.21 0.00 0.31 0.00 0.00 61.69 61.12 1x8q s THR 108 Cb -0.13 -1.42 0.06 0.00 0.01 0.00 0.00 72.50 71.02 1x8q s THR 108 CO -0.09 0.45 0.74 -0.69 -0.69 0.00 0.00 174.62 174.35 1x8q s VAL 109 N 0.82 4.69 -0.15 3.82 1.01 -0.14 -1.22 120.40 129.23 1x8q s VAL 109 Ca -0.10 -0.30 0.15 0.00 0.00 0.00 0.00 61.98 61.73 1x8q s VAL 109 Cb -0.16 -4.41 0.04 0.00 0.00 0.00 0.00 36.38 31.86 1x8q s VAL 109 CO 0.01 -0.96 1.38 0.24 0.00 0.00 0.00 175.10 175.77 1x8q h MET 110 N 9.14 0.00 -1.77 2.72 2.86 -1.17 -0.17 114.93 126.54 1x8q h MET 110 Ca -0.27 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1x8q h MET 110 Cb 1.09 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.52 1x8q h MET 110 CO 1.02 0.48 0.33 -0.47 1.06 0.00 0.00 176.91 179.34 1x8q s TYR 111 N -2.96 -0.58 -0.11 -0.22 5.04 -1.07 -3.12 117.35 114.34 1x8q s TYR 111 Ca 0.03 1.29 -0.25 0.00 -2.44 0.00 0.00 57.07 55.70 1x8q s TYR 111 Cb 0.08 0.36 0.06 0.00 0.35 0.00 0.00 41.96 42.80 1x8q s TYR 111 CO 0.75 -0.35 0.61 0.00 -1.34 0.00 0.00 175.55 175.22 1x8q s ALA 112 N -0.16 -1.55 0.00 3.97 0.00 -1.26 -0.65 121.76 122.11 1x8q s ALA 112 Ca -0.01 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1x8q s ALA 112 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1x8q s ALA 112 CO -0.00 -0.33 0.00 -0.40 0.00 0.00 0.00 175.76 175.03 1x8q n ASP 113 N 1.59 0.58 -0.03 0.00 5.75 -0.13 -4.97 116.55 119.33 1x8q n ASP 113 Ca -0.18 -0.21 0.15 0.00 -0.01 0.00 0.00 54.79 54.54 1x8q n ASP 113 Cb 0.56 0.00 0.85 0.00 -1.03 0.00 0.00 41.12 41.51 1x8q n ASP 113 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x8q n ASP 114 N -0.52 0.11 0.00 -1.12 8.00 -1.26 -3.84 116.55 117.92 1x8q n ASP 114 Ca 0.00 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1x8q n ASP 114 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1x8q n ASP 114 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1x8q n SER 115 N -1.02 1.84 -3.96 -2.24 3.41 -1.26 -4.87 113.62 105.52 1x8q n SER 115 Ca 0.20 -0.03 -0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1x8q n SER 115 Cb 0.17 0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 1x8q n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x8q s SER 116 N -0.80 0.26 0.14 4.04 1.04 -1.25 -0.96 113.70 116.18 1x8q s SER 116 Ca 0.00 -0.72 -0.21 0.00 0.48 0.00 0.00 55.95 55.49 1x8q s SER 116 Cb 0.00 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.43 1x8q s SER 116 CO 0.00 -0.61 0.55 0.00 0.98 0.00 0.00 173.24 174.16 1x8q s ALA 117 N -3.44 -1.43 -0.11 5.32 0.00 -0.78 -0.96 121.76 120.38 1x8q s ALA 117 Ca 0.02 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1x8q s ALA 117 Cb 0.04 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1x8q s ALA 117 CO -0.08 -0.72 -0.13 -1.17 0.00 0.00 0.00 175.76 173.65 1x8q s LEU 118 N -2.70 1.61 0.20 0.00 2.96 0.18 -0.56 118.68 120.37 1x8q s LEU 118 Ca 0.01 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.62 1x8q s LEU 118 Cb -0.00 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 1x8q s LEU 118 CO -0.12 -0.01 -0.16 0.27 -1.32 0.00 0.00 176.35 175.01 1x8q s ILE 119 N 1.11 1.87 -0.01 6.68 -4.36 -0.32 -0.80 121.20 125.36 1x8q s ILE 119 Ca -0.05 -2.15 0.08 0.00 -0.26 0.00 0.00 60.65 58.27 1x8q s ILE 119 Cb -0.14 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1x8q s ILE 119 CO -0.03 -0.49 -0.25 -2.28 0.24 0.00 0.00 174.94 172.14 1x8q s HIS 120 N -2.63 2.36 0.03 1.37 5.65 -0.36 -1.10 115.29 120.61 1x8q s HIS 120 Ca 0.21 -0.41 0.02 0.00 0.25 0.00 0.00 55.06 55.13 1x8q s HIS 120 Cb -0.03 -1.49 -0.02 0.00 -1.18 0.00 0.00 32.58 29.86 1x8q s HIS 120 CO 0.08 0.01 -0.06 0.95 -0.65 0.00 0.00 174.74 175.06 1x8q s THR 121 N -0.65 0.43 -0.23 0.89 -4.23 0.41 -0.84 115.64 111.42 1x8q s THR 121 Ca 0.10 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.73 1x8q s THR 121 Cb -0.10 -0.49 0.06 0.00 1.34 0.00 0.00 72.50 73.30 1x8q s THR 121 CO -0.00 -0.32 -0.07 0.00 -0.54 0.00 0.00 174.62 173.69 1x8q s LEU 123 N 1.36 4.54 -0.08 0.00 2.96 -1.26 -1.40 118.68 124.81 1x8q s LEU 123 Ca -0.05 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.31 1x8q s LEU 123 Cb -0.18 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.42 1x8q s LEU 123 CO -0.06 0.24 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.03 1x8q s HIS 124 N -1.15 1.86 -0.34 5.38 3.76 0.27 -2.37 115.29 122.70 1x8q s HIS 124 Ca 0.32 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.54 1x8q s HIS 124 Cb -0.21 -1.30 0.10 0.00 1.11 0.00 0.00 32.58 32.29 1x8q s HIS 124 CO 0.22 -0.32 0.10 0.15 -0.85 0.00 0.00 174.74 174.04 1x8q s LYS 125 N 0.50 1.11 7.94 1.40 1.02 -0.45 -1.60 119.74 129.66 1x8q s LYS 125 Ca -0.15 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.32 1x8q s LYS 125 Cb -0.16 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1x8q s LYS 125 CO 0.05 -0.99 0.00 0.41 -0.92 0.00 0.00 175.35 173.91 1x8q n GLY 126 N 4.44 3.81 0.05 -3.33 0.00 0.18 -2.26 105.19 108.08 1x8q n GLY 126 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1x8q n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x8q n ASN 127 N 6.68 0.59 -4.85 1.61 0.23 -1.26 -4.86 115.26 113.39 1x8q n ASN 127 Ca 0.00 0.14 -0.32 0.00 -0.53 0.00 0.00 54.58 53.87 1x8q n ASN 127 Cb 0.00 -0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 37.66 1x8q n ASN 127 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1x8q s LYS 128 N -3.10 3.70 0.21 -3.83 2.47 -0.96 -5.08 119.74 113.15 1x8q s LYS 128 Ca 0.09 0.92 0.01 0.00 -1.56 0.00 0.00 55.97 55.42 1x8q s LYS 128 Cb 0.15 -2.10 -0.05 0.00 -1.46 0.00 0.00 37.83 34.38 1x8q s LYS 128 CO 0.68 -0.48 0.07 0.16 0.16 0.00 0.00 175.35 175.93 1x8q s ASP 129 N -3.45 0.95 -0.30 1.43 1.47 -1.26 -1.34 116.67 114.16 1x8q s ASP 129 Ca 0.58 -1.31 0.08 0.00 1.18 0.00 0.00 52.55 53.09 1x8q s ASP 129 Cb -0.11 0.20 0.49 0.00 -0.34 0.00 0.00 42.92 43.15 1x8q s ASP 129 CO 0.41 -0.70 1.44 -0.11 0.68 0.00 0.00 175.17 176.88 1x8q n LEU 130 N -0.33 4.23 -0.95 2.11 7.94 -1.00 -4.68 117.00 124.31 1x8q n LEU 130 Ca -0.02 -3.94 0.12 0.00 -1.11 0.00 0.00 56.01 51.06 1x8q n LEU 130 Cb 0.65 -0.61 -0.05 0.00 0.53 0.00 0.00 43.42 43.94 1x8q n LEU 130 CO 0.35 1.40 -0.35 0.61 -1.11 0.00 0.00 177.39 178.28 1x8q n GLY 131 N -1.07 -2.71 3.74 -3.96 0.00 -1.26 -4.72 105.19 95.20 1x8q n GLY 131 Ca 0.34 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 1x8q n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x8q s ASP 132 N -6.35 6.57 -0.12 1.61 1.11 -1.26 -4.45 116.67 113.77 1x8q s ASP 132 Ca 0.00 2.71 0.00 0.00 0.18 0.00 0.00 52.55 55.44 1x8q s ASP 132 Cb 0.00 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.40 1x8q s ASP 132 CO 0.00 -0.79 -0.11 -0.22 1.18 0.00 0.00 175.17 175.23 1x8q s LEU 133 N 0.09 1.46 -0.04 1.23 0.20 -0.44 -0.97 118.68 120.22 1x8q s LEU 133 Ca 0.64 -0.38 -0.03 0.00 0.69 0.00 0.00 54.13 55.05 1x8q s LEU 133 Cb -0.44 -0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 44.29 1x8q s LEU 133 CO 0.40 -0.07 0.11 -0.31 -0.29 0.00 0.00 176.35 176.20 1x8q s TYR 134 N 1.47 3.42 -0.01 5.38 2.02 0.21 -0.44 117.35 129.39 1x8q s TYR 134 Ca 0.02 0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 1x8q s TYR 134 Cb -0.13 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1x8q s TYR 134 CO -0.08 0.61 0.01 0.00 -1.57 0.00 0.00 175.55 174.53 1x8q s ALA 135 N -1.16 0.09 -0.14 3.71 0.00 -0.26 -0.82 121.76 123.17 1x8q s ALA 135 Ca 0.21 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 52.14 1x8q s ALA 135 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1x8q s ALA 135 CO 0.12 -0.06 0.58 0.08 0.00 0.00 0.00 175.76 176.48 1x8q s VAL 136 N 0.66 5.09 0.16 0.00 1.01 0.04 -1.18 120.40 126.19 1x8q s VAL 136 Ca -0.06 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1x8q s VAL 136 Cb -0.08 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1x8q s VAL 136 CO -0.02 0.22 -0.05 -0.76 0.00 0.00 0.00 175.10 174.50 1x8q s LEU 137 N 1.17 3.16 0.03 3.92 1.43 0.28 -0.93 118.68 127.74 1x8q s LEU 137 Ca 0.29 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1x8q s LEU 137 Cb -0.16 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1x8q s LEU 137 CO 0.12 0.11 0.11 0.21 0.23 0.00 0.00 176.35 177.13 1x8q s ASN 138 N -2.79 0.12 0.42 2.29 3.84 -0.35 -1.86 114.94 116.61 1x8q s ASN 138 Ca 0.26 -0.41 0.21 0.00 0.21 0.00 0.00 52.86 53.13 1x8q s ASN 138 Cb -0.09 0.22 0.90 0.00 -0.55 0.00 0.00 41.25 41.73 1x8q s ASN 138 CO 0.17 -0.46 1.83 0.03 -2.79 0.00 0.00 177.10 175.88 1x8q h ARG 139 N 3.87 0.00 -4.97 0.43 2.47 -1.30 -0.61 114.38 114.27 1x8q h ARG 139 Ca -0.32 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.75 1x8q h ARG 139 Cb 1.19 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.27 1x8q h ARG 139 CO 0.47 0.28 -0.65 1.21 0.56 0.00 0.00 179.97 181.83 1x8q s ASN 140 N -6.35 4.88 0.61 7.04 3.84 -1.26 -4.81 114.94 118.89 1x8q s ASN 140 Ca -0.01 -0.26 0.37 0.00 0.21 0.00 0.00 52.86 53.17 1x8q s ASN 140 Cb 0.11 -1.87 1.96 0.00 -0.55 0.00 0.00 41.25 40.91 1x8q s ASN 140 CO 0.65 -0.03 2.23 0.07 -2.79 0.00 0.00 177.10 177.24 1x8q h LYS 141 N 8.17 0.00 -0.19 0.43 2.10 -1.95 -2.20 116.57 122.93 1x8q h LYS 141 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 1x8q h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1x8q h LYS 141 CO 0.59 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 1x8q n ASP 142 N -3.34 3.22 -4.70 7.07 8.00 -1.26 -4.93 116.55 120.60 1x8q n ASP 142 Ca -0.02 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 1x8q n ASP 142 Cb 0.14 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1x8q n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x8q s ALA 143 N -1.78 3.49 0.54 2.24 0.00 -0.83 -5.00 121.76 120.41 1x8q s ALA 143 Ca 0.33 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 1x8q s ALA 143 Cb 0.21 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1x8q s ALA 143 CO 0.31 -0.62 1.18 0.00 0.00 0.00 0.00 175.76 176.63 1x8q s ALA 144 N 1.51 2.72 0.05 0.00 0.00 -1.26 -4.95 121.76 119.83 1x8q s ALA 144 Ca 0.61 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 1x8q s ALA 144 Cb -0.31 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 1x8q s ALA 144 CO 0.28 -0.92 1.62 0.00 0.00 0.00 0.00 175.76 176.73 1x8q s ALA 145 N -1.62 3.67 0.86 0.00 0.00 -1.26 -4.99 121.76 118.42 1x8q s ALA 145 Ca 0.72 1.15 -0.10 0.00 0.00 0.00 0.00 51.96 53.73 1x8q s ALA 145 Cb -0.28 -3.69 0.17 0.00 0.00 0.00 0.00 23.12 19.32 1x8q s ALA 145 CO 0.32 -1.10 1.19 0.20 0.00 0.00 0.00 175.76 176.37 1x8q s GLY 146 N 2.40 1.77 0.34 0.00 0.00 -1.26 -4.86 107.32 105.71 1x8q s GLY 146 Ca 0.73 -1.41 0.14 0.00 0.00 0.00 0.00 44.72 44.17 1x8q s GLY 146 CO 0.31 -0.73 1.74 -0.55 0.00 0.00 0.00 173.10 173.88 1x8q h ASP 147 N -1.18 0.00 0.23 1.64 3.32 -1.98 -1.27 116.42 117.17 1x8q h ASP 147 Ca -0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1x8q h ASP 147 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1x8q h ASP 147 CO 0.39 0.45 -0.11 0.11 -1.72 0.00 0.00 179.24 178.36 1x8q h LYS 148 N 0.00 -0.30 -0.19 3.56 1.57 -1.99 0.76 116.57 119.98 1x8q h LYS 148 Ca -0.00 0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1x8q h LYS 148 Cb 0.85 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1x8q h LYS 148 CO 0.06 -0.13 -0.51 -0.24 -0.57 0.00 0.00 179.45 178.06 1x8q h VAL 149 N -0.41 1.32 -0.47 0.50 3.04 -1.92 -2.17 116.25 116.14 1x8q h VAL 149 Ca -0.03 -1.74 -0.05 0.00 -1.01 0.00 0.00 66.70 63.86 1x8q h VAL 149 Cb 0.31 1.73 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 1x8q h VAL 149 CO 0.05 0.54 0.07 0.11 -1.01 0.00 0.00 177.57 177.33 1x8q h LYS 150 N 0.42 0.72 -0.73 4.17 1.57 -1.13 -0.90 116.57 120.69 1x8q h LYS 150 Ca 0.02 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1x8q h LYS 150 Cb 1.04 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1x8q h LYS 150 CO 0.10 0.69 0.30 0.77 -0.57 0.00 0.00 179.45 180.74 1x8q h SER 151 N 0.69 1.00 -0.46 0.86 0.02 -0.66 -1.67 113.55 113.34 1x8q h SER 151 Ca 0.15 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1x8q h SER 151 Cb 0.32 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1x8q h SER 151 CO 0.00 0.89 0.21 0.00 -1.14 0.00 0.00 176.83 176.79 1x8q h ALA 152 N 1.15 1.43 -0.28 3.77 0.00 -0.73 0.89 119.26 125.49 1x8q h ALA 152 Ca 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x8q h ALA 152 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1x8q h ALA 152 CO -0.02 0.44 0.17 0.28 0.00 0.00 0.00 179.25 180.12 1x8q h VAL 153 N 0.71 1.10 -0.90 0.00 2.07 -0.64 -1.86 116.25 116.73 1x8q h VAL 153 Ca 0.17 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1x8q h VAL 153 Cb 0.13 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1x8q h VAL 153 CO -0.02 0.10 0.58 0.28 0.02 0.00 0.00 177.57 178.53 1x8q h SER 154 N 0.35 0.97 0.62 0.57 0.02 -0.64 -2.21 113.55 113.23 1x8q h SER 154 Ca 0.10 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1x8q h SER 154 Cb 0.01 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 1x8q h SER 154 CO -0.02 0.66 -0.11 0.00 -1.14 0.00 0.00 176.83 176.22 1x8q h ALA 155 N 1.37 1.12 -0.02 3.77 0.00 -0.42 0.26 119.26 125.33 1x8q h ALA 155 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1x8q h ALA 155 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x8q h ALA 155 CO -0.12 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1x8q n ALA 156 N -2.21 2.61 -3.46 0.00 0.00 -0.74 -4.91 120.51 111.81 1x8q n ALA 156 Ca -0.01 -0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1x8q n ALA 156 Cb 0.29 -1.31 0.09 0.00 0.00 0.00 0.00 19.45 18.51 1x8q n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1x8q n THR 157 N -0.62 -5.39 -4.36 0.00 -1.04 0.08 -5.03 114.28 97.91 1x8q n THR 157 Ca 0.17 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.05 61.56 1x8q n THR 157 Cb 0.13 -4.80 -0.11 0.00 -1.82 0.00 0.00 70.33 63.73 1x8q n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x8q s LEU 158 N -6.55 2.47 -0.30 -4.42 1.43 -0.87 -5.04 118.68 105.39 1x8q s LEU 158 Ca 0.12 -0.91 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1x8q s LEU 158 Cb -0.05 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 1x8q s LEU 158 CO 0.73 -0.03 0.16 -1.61 0.23 0.00 0.00 176.35 175.83 1x8q s GLU 159 N -2.99 3.46 0.52 1.70 0.41 -1.26 -3.66 118.70 116.88 1x8q s GLU 159 Ca 0.19 -0.64 0.16 0.00 -0.41 0.00 0.00 54.97 54.28 1x8q s GLU 159 Cb -0.05 -3.57 1.29 0.00 -1.78 0.00 0.00 34.13 30.01 1x8q s GLU 159 CO 0.08 -0.37 2.15 0.35 -0.49 0.00 0.00 175.26 176.99 1x8q h PHE 160 N 8.36 0.00 -0.07 1.61 3.57 -1.90 -0.39 116.94 128.11 1x8q h PHE 160 Ca -0.33 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.19 1x8q h PHE 160 Cb 1.16 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1x8q h PHE 160 CO 0.66 0.00 0.17 0.66 -2.23 0.00 0.00 178.31 177.57 1x8q h SER 161 N 0.00 0.00 1.44 0.41 4.64 -2.01 -0.72 113.55 117.31 1x8q h SER 161 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1x8q h SER 161 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1x8q h SER 161 CO 0.00 0.00 -0.33 0.11 -0.87 0.00 0.00 176.83 175.74 1x8q h LYS 162 N 0.00 0.00 -6.94 4.77 1.79 -1.48 -3.46 116.57 111.24 1x8q h LYS 162 Ca 0.03 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.00 1x8q h LYS 162 Cb 0.38 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.08 1x8q h LYS 162 CO -0.00 0.33 0.49 -0.06 -1.08 0.00 0.00 179.45 179.13 1x8q s PHE 163 N -3.20 3.10 -0.19 -1.35 0.40 -0.28 -4.90 117.98 111.56 1x8q s PHE 163 Ca 0.04 1.57 -0.13 0.00 -0.60 0.00 0.00 56.93 57.81 1x8q s PHE 163 Cb 0.08 -3.36 -0.05 0.00 0.51 0.00 0.00 43.02 40.20 1x8q s PHE 163 CO 0.70 -1.22 0.25 0.42 0.70 0.00 0.00 175.22 176.07 1x8q s ILE 164 N -1.43 5.32 0.47 0.64 1.01 0.59 -4.83 121.20 122.96 1x8q s ILE 164 Ca 0.57 0.43 -0.20 0.00 0.00 0.00 0.00 60.65 61.45 1x8q s ILE 164 Cb -0.30 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1x8q s ILE 164 CO 0.37 0.37 0.99 -0.55 0.00 0.00 0.00 174.94 176.12 1x8q s SER 165 N 0.67 6.66 0.00 3.58 0.15 -1.26 -0.87 113.70 122.63 1x8q s SER 165 Ca 0.13 1.75 0.21 0.00 0.70 0.00 0.00 55.95 58.75 1x8q s SER 165 Cb -0.13 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.67 1x8q s SER 165 CO 0.03 -0.56 1.07 0.35 1.20 0.00 0.00 173.24 175.34 1x8q n THR 166 N -0.93 0.00 0.30 6.45 -2.24 -0.31 -4.66 114.28 112.89 1x8q n THR 166 Ca 0.08 -0.33 0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1x8q n THR 166 Cb 0.53 1.30 0.79 0.00 -2.10 0.00 0.00 70.33 70.85 1x8q n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1x8q h LYS 167 N 2.78 0.00 -0.67 -0.78 2.10 -1.91 -2.91 116.57 115.18 1x8q h LYS 167 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1x8q h LYS 167 Cb 0.76 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.98 1x8q h LYS 167 CO 0.00 0.00 0.22 0.39 -2.00 0.00 0.00 179.45 178.06 1x8q n GLU 168 N -2.87 3.59 -0.16 0.07 1.02 -1.26 -4.41 120.64 116.62 1x8q n GLU 168 Ca -0.00 -3.09 0.06 0.00 -0.02 0.00 0.00 57.16 54.11 1x8q n GLU 168 Cb 0.21 -2.17 0.15 0.00 -0.02 0.00 0.00 31.44 29.61 1x8q n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x8q n ASN 169 N -0.22 2.86 -2.07 1.62 5.03 -1.10 -4.97 115.26 116.41 1x8q n ASN 169 Ca 0.38 -1.91 -0.20 0.00 0.87 0.00 0.00 54.58 53.72 1x8q n ASN 169 Cb 1.32 -0.21 -0.04 0.00 -1.02 0.00 0.00 39.78 39.83 1x8q n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1x8q n ASN 170 N 0.65 -5.71 -4.77 6.41 3.02 -1.26 -4.90 115.26 108.71 1x8q n ASN 170 Ca 0.12 0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 1x8q n ASN 170 Cb 0.42 -4.82 -0.05 0.00 -0.61 0.00 0.00 39.78 34.72 1x8q n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x8q s ALA 172 N -1.44 1.64 0.07 0.00 0.00 -1.26 -5.14 121.76 115.63 1x8q s ALA 172 Ca 0.50 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.73 1x8q s ALA 172 Cb -0.25 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 1x8q s ALA 172 CO 0.31 0.37 -0.22 0.71 0.00 0.00 0.00 175.76 176.93 1x8q s TYR 173 N -0.30 1.90 -0.95 0.00 2.02 -1.26 -5.08 117.35 113.68 1x8q s TYR 173 Ca 0.04 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 1x8q s TYR 173 Cb -0.09 -1.09 0.22 0.00 -0.40 0.00 0.00 41.96 40.60 1x8q s TYR 173 CO 0.00 0.16 0.95 0.34 -1.57 0.00 0.00 175.55 175.43 1x8q s ASP 174 N -1.51 6.94 0.38 2.29 -1.08 -1.26 -4.88 116.67 117.54 1x8q s ASP 174 Ca 0.08 -2.91 0.06 0.00 -0.52 0.00 0.00 52.55 49.27 1x8q s ASP 174 Cb -0.09 -2.24 0.77 0.00 -1.46 0.00 0.00 42.92 39.89 1x8q s ASP 174 CO 0.03 -0.55 1.99 0.78 0.52 0.00 0.00 175.17 177.93 1x8q h ASN 175 N 7.53 0.46 -0.44 -0.34 -0.26 -2.00 -2.39 115.58 118.14 1x8q h ASN 175 Ca 0.15 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 1x8q h ASN 175 Cb 0.98 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 1x8q h ASN 175 CO 0.90 0.42 0.25 0.44 -1.06 0.00 0.00 177.43 178.38 1x8q h ASP 176 N 0.51 0.53 -0.45 5.81 3.32 -2.00 -1.73 116.42 122.42 1x8q h ASP 176 Ca 0.13 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1x8q h ASP 176 Cb 0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1x8q h ASP 176 CO -0.01 0.45 0.23 -1.28 -1.72 0.00 0.00 179.24 176.91 1x8q h SER 177 N 0.57 0.58 -0.52 6.45 0.87 -1.79 -1.32 113.55 118.39 1x8q h SER 177 Ca 0.15 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1x8q h SER 177 Cb 0.03 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1x8q h SER 177 CO -0.03 0.53 0.30 -0.07 -0.53 0.00 0.00 176.83 177.03 1x8q h LEU 178 N 0.59 0.47 -0.46 2.23 3.38 -1.20 0.17 115.31 120.50 1x8q h LEU 178 Ca 0.16 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1x8q h LEU 178 Cb 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1x8q h LEU 178 CO -0.02 0.33 0.12 0.11 0.09 0.00 0.00 178.44 179.07 1x8q h LYS 179 N 0.59 0.73 -0.08 1.13 1.57 -1.19 -3.05 116.57 116.27 1x8q h LYS 179 Ca 0.22 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 1x8q h LYS 179 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1x8q h LYS 179 CO -0.11 0.71 -0.46 1.03 -0.57 0.00 0.00 179.45 180.05 1x8q h SER 180 N 0.61 0.20 0.18 0.86 0.87 -0.90 -2.79 113.55 112.58 1x8q h SER 180 Ca 0.14 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1x8q h SER 180 Cb 0.31 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1x8q h SER 180 CO -0.00 0.63 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.83 1x8q h LEU 181 N 0.15 0.00 -2.06 2.23 3.38 -0.86 -2.05 115.31 116.11 1x8q h LEU 181 Ca 0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1x8q h LEU 181 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1x8q h LEU 181 CO 0.07 0.03 0.23 -0.07 0.09 0.00 0.00 178.44 178.79 1x8q h LEU 182 N 0.00 0.00 -0.33 1.67 3.38 -1.49 -1.44 115.31 117.10 1x8q h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x8q h LEU 182 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1x8q h LEU 182 CO 0.00 0.00 -0.15 0.35 0.09 0.00 0.00 178.44 178.73 1x8q n THR 183 N -4.25 0.00 1.00 0.22 -2.24 -0.77 -4.71 114.28 103.52 1x8q n THR 183 Ca 0.04 -0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1x8q n THR 183 Cb 0.39 0.06 0.10 0.00 -2.10 0.00 0.00 70.33 68.79 1x8q n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79