#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwz s ASN 2 N 0.00 3.32 0.38 6.12 2.20 -1.26 -4.83 114.94 120.88 1uwz s ASN 2 Ca 0.00 0.16 0.12 0.00 -0.94 0.00 0.00 52.86 52.20 1uwz s ASN 2 Cb 0.00 -0.26 0.77 0.00 -2.00 0.00 0.00 41.25 39.76 1uwz s ASN 2 CO 0.00 -2.59 1.87 0.08 -2.94 0.00 0.00 177.10 173.52 1uwz h ARG 3 N -1.46 0.09 -0.50 3.55 0.11 -2.04 -1.52 114.38 112.60 1uwz h ARG 3 Ca -0.43 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 59.57 1uwz h ARG 3 Cb 1.24 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.29 1uwz h ARG 3 CO 0.38 0.36 0.12 0.37 0.10 0.00 0.00 179.97 181.30 1uwz h GLN 4 N 0.08 0.80 -0.32 0.08 -0.00 -1.99 0.72 115.11 114.49 1uwz h GLN 4 Ca 0.01 -0.19 -0.09 0.00 -0.00 0.00 0.00 58.65 58.37 1uwz h GLN 4 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.89 1uwz h GLN 4 CO 0.04 0.77 -0.20 0.93 0.00 0.00 0.00 178.83 180.37 1uwz h GLU 5 N 0.69 0.59 -0.16 1.69 5.08 -1.82 -1.78 114.58 118.87 1uwz h GLU 5 Ca 0.16 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 1uwz h GLU 5 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1uwz h GLU 5 CO 0.00 0.75 -0.45 1.25 -1.00 0.00 0.00 179.01 179.56 1uwz h LEU 6 N 0.52 0.42 -0.71 1.33 5.85 -0.92 -2.39 115.31 119.42 1uwz h LEU 6 Ca 0.08 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 1uwz h LEU 6 Cb 0.63 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1uwz h LEU 6 CO 0.04 0.82 0.22 0.40 -0.34 0.00 0.00 178.44 179.58 1uwz h ILE 7 N 0.32 1.26 -0.52 4.05 2.04 -0.43 -1.57 117.51 122.66 1uwz h ILE 7 Ca 0.02 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1uwz h ILE 7 Cb 0.92 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1uwz h ILE 7 CO 0.08 0.35 0.17 0.71 0.00 0.00 0.00 178.15 179.46 1uwz h THR 8 N 1.04 1.20 -0.43 -0.27 1.35 -1.01 0.42 112.91 115.21 1uwz h THR 8 Ca 0.23 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1uwz h THR 8 Cb 0.31 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.34 1uwz h THR 8 CO -0.01 0.26 0.22 -0.33 -0.25 0.00 0.00 175.52 175.42 1uwz h GLU 9 N 0.75 0.61 -0.35 4.72 4.39 -0.90 -1.47 114.58 122.33 1uwz h GLU 9 Ca 0.17 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1uwz h GLU 9 Cb 0.21 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1uwz h GLU 9 CO -0.01 0.51 -0.07 0.00 -1.16 0.00 0.00 179.01 178.28 1uwz h ALA 10 N 1.07 1.23 -0.30 3.43 0.00 -0.53 0.64 119.26 124.80 1uwz h ALA 10 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1uwz h ALA 10 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1uwz h ALA 10 CO -0.02 0.51 -0.18 -0.07 0.00 0.00 0.00 179.25 179.49 1uwz h LEU 11 N 0.55 0.53 -0.07 0.00 3.38 -0.56 -0.39 115.31 118.74 1uwz h LEU 11 Ca 0.11 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1uwz h LEU 11 Cb 0.45 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1uwz h LEU 11 CO 0.02 0.73 -0.47 0.11 0.09 0.00 0.00 178.44 178.93 1uwz h LYS 12 N 0.49 0.45 -0.92 1.13 1.57 -0.72 -3.16 116.57 115.39 1uwz h LYS 12 Ca 0.08 -0.38 0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1uwz h LYS 12 Cb 0.59 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.91 1uwz h LYS 12 CO 0.04 1.02 0.59 0.00 -0.57 0.00 0.00 179.45 180.53 1uwz h ALA 13 N 0.43 1.63 -0.67 3.86 0.00 -0.65 -1.20 119.26 122.67 1uwz h ALA 13 Ca -0.04 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1uwz h ALA 13 Cb 1.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1uwz h ALA 13 CO 0.10 0.16 0.45 -0.09 0.00 0.00 0.00 179.25 179.86 1uwz h ARG 14 N 0.89 0.39 0.00 0.00 2.43 -1.04 -1.06 114.38 115.99 1uwz h ARG 14 Ca 0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1uwz h ARG 14 Cb 0.48 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1uwz h ARG 14 CO -0.20 0.26 0.00 -0.25 -1.51 0.00 0.00 179.97 178.26 1uwz n ASP 15 N -4.47 0.17 -0.04 -3.80 8.00 -0.45 -1.98 116.55 113.98 1uwz n ASP 15 Ca 0.12 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.28 1uwz n ASP 15 Cb 0.45 -0.58 0.26 0.00 -0.02 0.00 0.00 41.12 41.23 1uwz n ASP 15 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1uwz n MET 16 N -1.69 0.14 -1.60 -1.24 2.81 -0.40 -4.97 117.12 110.17 1uwz n MET 16 Ca 0.03 -0.08 -0.44 0.00 -1.81 0.00 0.00 57.70 55.39 1uwz n MET 16 Cb 0.17 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.17 1uwz n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1uwz n ALA 17 N -1.36 -0.07 -3.81 3.04 0.00 -0.84 -4.96 120.51 112.51 1uwz n ALA 17 Ca 0.07 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 1uwz n ALA 17 Cb 0.34 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 1uwz n ALA 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1uwz s TYR 18 N -1.07 3.38 -0.42 0.00 5.04 -0.36 -4.96 117.35 118.96 1uwz s TYR 18 Ca 0.58 -2.84 0.09 0.00 -2.44 0.00 0.00 57.07 52.47 1uwz s TYR 18 Cb -0.68 -3.08 0.31 0.00 0.35 0.00 0.00 41.96 38.86 1uwz s TYR 18 CO 0.60 -0.83 0.69 0.00 -1.34 0.00 0.00 175.55 174.68 1uwz n ALA 19 N 3.52 2.61 0.39 3.97 0.00 -1.26 -0.25 120.51 129.49 1uwz n ALA 19 Ca 0.06 -3.66 0.14 0.00 0.00 0.00 0.00 53.44 49.97 1uwz n ALA 19 Cb 0.37 -0.87 0.51 0.00 0.00 0.00 0.00 19.45 19.46 1uwz n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1uwz h PRO 20 N 3.39 0.00 0.04 0.00 0.13 -1.95 -0.09 132.00 133.52 1uwz h PRO 20 Ca 0.10 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.02 1uwz h PRO 20 Cb 0.86 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.98 1uwz h PRO 20 CO 0.55 0.00 -1.10 1.88 -0.23 0.00 0.00 178.00 179.10 1uwz h TYR 21 N 0.00 0.16 0.00 1.56 -1.99 -1.94 -3.39 116.97 111.37 1uwz h TYR 21 Ca 0.00 -0.12 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 1uwz h TYR 21 Cb 0.50 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 1uwz h TYR 21 CO 0.00 1.43 -1.31 -1.13 -0.00 0.00 0.00 178.16 177.15 1uwz n SER 22 N -4.26 0.66 -2.16 3.88 3.41 -1.25 -4.94 113.62 108.97 1uwz n SER 22 Ca -0.26 0.26 -0.21 0.00 -0.26 0.00 0.00 58.87 58.41 1uwz n SER 22 Cb 0.73 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 65.36 1uwz n SER 22 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1uwz n LYS 23 N -2.63 -1.63 -3.90 4.33 4.01 -0.05 -4.94 118.16 113.35 1uwz n LYS 23 Ca -0.03 1.06 -0.33 0.00 -0.51 0.00 0.00 58.31 58.50 1uwz n LYS 23 Cb 0.62 -5.64 -0.13 0.00 -0.51 0.00 0.00 35.03 29.37 1uwz n LYS 23 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1uwz s PHE 24 N -2.94 3.62 0.04 2.13 5.36 -1.26 -5.07 117.98 119.87 1uwz s PHE 24 Ca 0.00 -2.77 -0.22 0.00 -0.96 0.00 0.00 56.93 52.98 1uwz s PHE 24 Cb 0.00 -3.06 -0.06 0.00 -0.34 0.00 0.00 43.02 39.56 1uwz s PHE 24 CO 0.00 -0.93 0.66 -0.65 -1.46 0.00 0.00 175.22 172.84 1uwz s GLN 25 N 0.82 4.38 0.01 10.12 -0.21 -1.26 -4.88 119.66 128.64 1uwz s GLN 25 Ca 0.11 0.88 0.05 0.00 0.02 0.00 0.00 55.36 56.42 1uwz s GLN 25 Cb -0.21 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.46 1uwz s GLN 25 CO -0.05 0.42 -0.17 0.08 -2.12 0.00 0.00 175.29 173.45 1uwz s VAL 26 N -0.44 1.33 0.09 1.09 1.01 -1.26 -4.30 120.40 117.92 1uwz s VAL 26 Ca 0.33 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.55 1uwz s VAL 26 Cb -0.20 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1uwz s VAL 26 CO 0.20 0.28 -0.20 -0.83 0.00 0.00 0.00 175.10 174.55 1uwz s GLY 27 N -0.64 1.16 -0.01 4.51 0.00 0.75 -3.00 107.32 110.09 1uwz s GLY 27 Ca 0.06 -1.17 -0.05 0.00 0.00 0.00 0.00 44.72 43.56 1uwz s GLY 27 CO 0.00 -1.17 0.09 0.00 0.00 0.00 0.00 173.10 172.02 1uwz s ALA 28 N -1.11 -0.21 -0.06 3.20 0.00 -0.11 -0.15 121.76 123.33 1uwz s ALA 28 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1uwz s ALA 28 Cb -0.10 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1uwz s ALA 28 CO 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 175.76 175.64 1uwz s ALA 29 N -1.02 0.62 -0.21 0.00 0.00 -0.29 -0.22 121.76 120.64 1uwz s ALA 29 Ca -0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1uwz s ALA 29 Cb -0.06 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 1uwz s ALA 29 CO 0.01 -0.37 0.04 -1.17 0.00 0.00 0.00 175.76 174.27 1uwz s LEU 30 N 1.76 3.45 -0.23 0.00 2.96 0.48 -1.14 118.68 125.95 1uwz s LEU 30 Ca 0.01 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.70 1uwz s LEU 30 Cb -0.13 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1uwz s LEU 30 CO -0.04 0.06 0.11 -0.22 -1.32 0.00 0.00 176.35 174.94 1uwz s LEU 31 N 1.03 3.83 0.67 -0.68 2.96 0.17 -0.73 118.68 125.92 1uwz s LEU 31 Ca 0.03 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 1uwz s LEU 31 Cb -0.14 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.58 1uwz s LEU 31 CO 0.02 0.05 0.97 0.42 -1.32 0.00 0.00 176.35 176.49 1uwz s THR 32 N 1.14 2.58 0.27 3.68 -4.23 -0.30 -0.72 115.64 118.07 1uwz s THR 32 Ca 0.06 -0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.28 1uwz s THR 32 Cb -0.14 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.87 1uwz s THR 32 CO 0.04 -0.09 1.93 0.11 -0.54 0.00 0.00 174.62 176.07 1uwz h LYS 33 N -0.45 1.21 0.00 3.99 1.79 -1.29 -0.85 116.57 120.96 1uwz h LYS 33 Ca -0.44 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 1uwz h LYS 33 Cb 1.30 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1uwz h LYS 33 CO 0.60 0.80 0.00 -0.25 -1.08 0.00 0.00 179.45 179.51 1uwz n ASP 34 N -4.42 0.00 0.00 0.86 8.00 -1.26 -4.88 116.55 114.85 1uwz n ASP 34 Ca 0.12 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1uwz n ASP 34 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1uwz n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uwz n GLY 35 N 0.65 0.63 3.85 0.44 0.00 -0.33 -5.06 105.19 105.37 1uwz n GLY 35 Ca 0.17 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1uwz n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uwz s LYS 36 N -0.85 4.00 -0.13 1.61 2.20 -1.26 -4.81 119.74 120.50 1uwz s LYS 36 Ca 0.00 0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1uwz s LYS 36 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.55 1uwz s LYS 36 CO 0.00 0.36 -0.13 0.08 -0.36 0.00 0.00 175.35 175.30 1uwz s VAL 37 N -1.66 3.03 -0.18 4.02 1.01 -1.26 -1.15 120.40 124.21 1uwz s VAL 37 Ca 0.44 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1uwz s VAL 37 Cb -0.13 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1uwz s VAL 37 CO 0.20 0.52 -0.07 -0.31 0.00 0.00 0.00 175.10 175.44 1uwz s TYR 38 N 0.36 2.92 0.09 5.22 1.51 0.09 -4.93 117.35 122.61 1uwz s TYR 38 Ca -0.11 -0.77 -0.10 0.00 -1.01 0.00 0.00 57.07 55.08 1uwz s TYR 38 Cb -0.16 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1uwz s TYR 38 CO 0.06 -0.38 0.40 1.03 -1.11 0.00 0.00 175.55 175.55 1uwz s ARG 39 N 0.95 3.75 0.05 -0.62 0.52 -1.26 -0.39 118.95 121.96 1uwz s ARG 39 Ca -0.01 0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1uwz s ARG 39 Cb -0.15 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1uwz s ARG 39 CO 0.00 0.55 -0.04 0.20 0.02 0.00 0.00 175.30 176.03 1uwz s GLY 40 N -1.81 0.47 0.06 -3.53 0.00 0.69 -4.38 107.32 98.81 1uwz s GLY 40 Ca 0.34 -1.07 -0.15 0.00 0.00 0.00 0.00 44.72 43.83 1uwz s GLY 40 CO 0.18 -1.17 0.35 0.00 0.00 0.00 0.00 173.10 172.46 1uwz s ASN 42 N -2.21 6.66 -0.15 0.00 4.22 -1.16 -3.86 114.94 118.43 1uwz s ASN 42 Ca -0.03 2.05 -0.02 0.00 -2.14 0.00 0.00 52.86 52.72 1uwz s ASN 42 Cb -0.00 -2.58 0.05 0.00 1.28 0.00 0.00 41.25 39.99 1uwz s ASN 42 CO -0.05 -0.56 0.01 -0.63 -2.04 0.00 0.00 177.10 173.83 1uwz s ILE 43 N -1.68 0.58 0.68 0.54 1.01 0.89 -1.22 121.20 122.00 1uwz s ILE 43 Ca 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1uwz s ILE 43 Cb -0.22 -0.93 0.11 0.00 0.01 0.00 0.00 42.46 41.43 1uwz s ILE 43 CO 0.27 -0.01 0.95 -1.61 0.00 0.00 0.00 174.94 174.54 1uwz s GLU 44 N 1.85 1.87 -0.05 2.79 2.02 0.65 -0.16 118.70 127.68 1uwz s GLU 44 Ca 0.01 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.77 1uwz s GLU 44 Cb -0.15 -2.37 0.03 0.00 0.10 0.00 0.00 34.13 31.74 1uwz s GLU 44 CO -0.07 -1.29 0.37 1.21 0.02 0.00 0.00 175.26 175.50 1uwz s ASN 45 N -4.67 -0.29 0.49 -0.19 3.84 -1.26 -4.86 114.94 107.99 1uwz s ASN 45 Ca 0.64 0.32 0.23 0.00 0.21 0.00 0.00 52.86 54.26 1uwz s ASN 45 Cb -0.06 0.46 1.28 0.00 -0.55 0.00 0.00 41.25 42.37 1uwz s ASN 45 CO 0.43 -0.39 1.95 0.00 -2.79 0.00 0.00 177.10 176.30 1uwz h ALA 46 N 4.18 2.41 -2.07 1.71 0.00 -2.00 -3.08 119.26 120.40 1uwz h ALA 46 Ca -0.29 -0.01 -0.71 0.00 0.00 0.00 0.00 54.91 53.90 1uwz h ALA 46 Cb 1.17 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.77 1uwz h ALA 46 CO 0.36 -0.60 0.38 0.00 0.00 0.00 0.00 179.25 179.39 1uwz s ALA 47 N -5.16 3.51 0.35 0.00 0.00 -1.26 -4.94 121.76 114.26 1uwz s ALA 47 Ca -0.06 -2.59 0.16 0.00 0.00 0.00 0.00 51.96 49.47 1uwz s ALA 47 Cb 0.21 -3.72 1.16 0.00 0.00 0.00 0.00 23.12 20.76 1uwz s ALA 47 CO 0.75 -2.57 1.63 1.88 0.00 0.00 0.00 175.76 177.45 1uwz h TYR 48 N 8.82 0.82 0.00 0.00 0.99 -1.98 0.25 116.97 125.87 1uwz h TYR 48 Ca -0.07 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1uwz h TYR 48 Cb 1.06 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.59 1uwz h TYR 48 CO 0.99 -0.30 0.04 0.66 -0.00 0.00 0.00 178.16 179.55 1uwz h SER 49 N 0.18 0.00 0.26 3.88 4.64 -1.92 -1.12 113.55 119.48 1uwz h SER 49 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1uwz h SER 49 Cb 1.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.94 1uwz h SER 49 CO -0.68 0.00 -0.13 0.23 -0.87 0.00 0.00 176.83 175.38 1uwz n MET 50 N -2.90 0.86 -1.73 4.77 2.81 0.08 -4.93 117.12 116.08 1uwz n MET 50 Ca -0.03 -0.37 -0.40 0.00 -1.81 0.00 0.00 57.70 55.09 1uwz n MET 50 Cb 0.10 -1.49 0.02 0.00 -0.71 0.00 0.00 33.22 31.14 1uwz n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1uwz s ASN 52 N -0.60 3.08 0.50 0.00 2.47 0.78 -4.98 114.94 116.19 1uwz s ASN 52 Ca 0.64 -0.50 -0.07 0.00 0.42 0.00 0.00 52.86 53.34 1uwz s ASN 52 Cb -0.46 -0.75 -0.04 0.00 -1.45 0.00 0.00 41.25 38.55 1uwz s ASN 52 CO 0.56 0.26 0.84 0.00 -3.72 0.00 0.00 177.10 175.04 1uwz h ALA 54 N 0.23 0.40 -0.50 0.00 0.00 -1.83 -0.76 119.26 116.81 1uwz h ALA 54 Ca -0.46 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.53 1uwz h ALA 54 Cb 1.20 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1uwz h ALA 54 CO 0.62 -0.24 0.22 0.93 0.00 0.00 0.00 179.25 180.78 1uwz h GLU 55 N 0.30 0.42 -0.46 0.00 3.07 -1.89 -1.64 114.58 114.38 1uwz h GLU 55 Ca 0.15 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.96 1uwz h GLU 55 Cb 0.09 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1uwz h GLU 55 CO -0.13 0.28 0.18 0.00 -1.40 0.00 0.00 179.01 177.94 1uwz h ALA 56 N 1.29 0.60 -0.47 3.43 0.00 -1.83 -2.14 119.26 120.14 1uwz h ALA 56 Ca 0.23 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1uwz h ALA 56 Cb 0.18 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1uwz h ALA 56 CO -0.19 0.22 0.19 1.15 0.00 0.00 0.00 179.25 180.61 1uwz h THR 57 N 0.61 0.87 -0.40 0.00 2.02 -0.65 0.27 112.91 115.64 1uwz h THR 57 Ca 0.15 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1uwz h THR 57 Cb 0.20 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1uwz h THR 57 CO -0.01 0.07 0.18 0.00 0.37 0.00 0.00 175.52 176.13 1uwz h ALA 58 N 1.30 0.51 -0.48 6.16 0.00 -1.16 -0.53 119.26 125.06 1uwz h ALA 58 Ca 0.22 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1uwz h ALA 58 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1uwz h ALA 58 CO -0.21 0.08 -0.21 -0.07 0.00 0.00 0.00 179.25 178.85 1uwz h LEU 59 N 0.50 1.01 -0.64 0.00 3.38 -0.96 -1.13 115.31 117.46 1uwz h LEU 59 Ca 0.14 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1uwz h LEU 59 Cb 0.13 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1uwz h LEU 59 CO -0.02 1.18 0.22 -0.26 0.09 0.00 0.00 178.44 179.65 1uwz h PHE 60 N 0.84 1.01 0.53 1.13 0.05 -0.36 -0.25 116.94 119.89 1uwz h PHE 60 Ca 0.11 -0.09 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 1uwz h PHE 60 Cb 0.79 -0.30 0.00 0.00 2.00 0.00 0.00 35.95 38.44 1uwz h PHE 60 CO 0.05 0.82 -0.26 -0.22 -0.18 0.00 0.00 178.31 178.52 1uwz h LYS 61 N 0.92 -0.70 0.33 1.51 3.64 -0.94 -0.75 116.57 120.57 1uwz h LYS 61 Ca 0.21 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1uwz h LYS 61 Cb 0.26 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1uwz h LYS 61 CO -0.01 -0.47 -0.37 0.00 -2.27 0.00 0.00 179.45 176.33 1uwz h ALA 62 N -0.26 -0.78 -0.95 5.00 0.00 -1.04 -2.31 119.26 118.91 1uwz h ALA 62 Ca -0.07 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1uwz h ALA 62 Cb 0.56 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 1uwz h ALA 62 CO 0.11 -0.98 0.61 0.28 0.00 0.00 0.00 179.25 179.27 1uwz h VAL 63 N -0.74 1.00 0.00 0.00 2.07 -0.88 -0.15 116.25 117.55 1uwz h VAL 63 Ca -0.02 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 1uwz h VAL 63 Cb 0.68 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1uwz h VAL 63 CO -0.09 0.19 -0.10 0.77 0.02 0.00 0.00 177.57 178.36 1uwz h SER 64 N 1.01 0.00 0.37 0.57 4.64 -0.79 -1.37 113.55 117.98 1uwz h SER 64 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1uwz h SER 64 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1uwz h SER 64 CO -0.19 0.10 -0.31 -0.62 -0.87 0.00 0.00 176.83 174.93 1uwz n GLU 65 N -3.39 0.51 -0.10 4.77 -0.58 -0.17 -4.92 120.64 116.76 1uwz n GLU 65 Ca -0.01 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1uwz n GLU 65 Cb 0.27 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 1uwz n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uwz n GLY 66 N 1.39 0.60 3.60 0.62 0.00 -0.52 -5.05 105.19 105.83 1uwz n GLY 66 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1uwz n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uwz s ASP 67 N -2.87 6.51 0.00 1.61 -0.00 -0.63 -4.89 116.67 116.40 1uwz s ASP 67 Ca 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 52.55 52.96 1uwz s ASP 67 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 42.92 40.58 1uwz s ASP 67 CO 0.00 -0.53 0.32 0.35 -0.00 0.00 0.00 175.17 175.31 1uwz n THR 68 N 5.46 0.03 -3.84 -1.27 -2.24 -1.26 -2.82 114.28 108.35 1uwz n THR 68 Ca -0.00 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 1uwz n THR 68 Cb 0.49 1.38 -0.13 0.00 -2.10 0.00 0.00 70.33 69.96 1uwz n THR 68 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1uwz s GLU 69 N -0.03 2.64 0.27 -0.78 2.02 -1.26 -4.94 118.70 116.62 1uwz s GLU 69 Ca 0.00 -1.14 0.10 0.00 0.02 0.00 0.00 54.97 53.95 1uwz s GLU 69 Cb 0.00 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.90 1uwz s GLU 69 CO 0.00 -0.58 -0.06 -0.06 0.02 0.00 0.00 175.26 174.58 1uwz s PHE 70 N 1.35 2.57 0.00 1.61 0.40 -1.26 -0.89 117.98 121.76 1uwz s PHE 70 Ca -0.02 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1uwz s PHE 70 Cb -0.19 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.19 1uwz s PHE 70 CO 0.00 0.64 0.00 0.00 0.70 0.00 0.00 175.22 176.57 1uwz n GLN 71 N -0.82 2.73 -3.60 0.44 10.64 0.10 -4.68 117.38 122.19 1uwz n GLN 71 Ca -0.06 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 54.95 1uwz n GLN 71 Cb 0.59 -0.95 -0.07 0.00 -0.86 0.00 0.00 30.24 28.95 1uwz n GLN 71 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 1uwz s MET 72 N -1.88 0.91 -0.08 2.61 0.00 -1.16 -2.04 119.30 117.66 1uwz s MET 72 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 55.69 56.00 1uwz s MET 72 Cb 0.00 0.43 0.02 0.00 0.00 0.00 0.00 34.83 35.28 1uwz s MET 72 CO 0.00 -0.25 -0.05 -1.17 0.00 0.00 0.00 175.02 173.55 1uwz s LEU 73 N -0.88 1.09 -0.07 4.11 2.96 0.57 -0.66 118.68 125.79 1uwz s LEU 73 Ca -0.09 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1uwz s LEU 73 Cb -0.02 -0.61 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 1uwz s LEU 73 CO 0.07 -0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 174.94 1uwz s ALA 74 N 1.45 3.07 -0.03 5.97 0.00 -0.29 0.60 121.76 132.53 1uwz s ALA 74 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1uwz s ALA 74 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1uwz s ALA 74 CO -0.04 0.57 -0.06 0.08 0.00 0.00 0.00 175.76 176.32 1uwz s VAL 75 N -0.82 0.57 0.00 0.00 1.01 -0.21 -1.14 120.40 119.81 1uwz s VAL 75 Ca 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1uwz s VAL 75 Cb -0.11 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1uwz s VAL 75 CO 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 175.10 175.30 1uwz s ALA 76 N 0.39 0.12 0.17 5.51 0.00 0.79 -1.57 121.76 127.18 1uwz s ALA 76 Ca -0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1uwz s ALA 76 Cb -0.09 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.05 1uwz s ALA 76 CO 0.00 0.02 0.54 0.00 0.00 0.00 0.00 175.76 176.32 1uwz s ALA 77 N -0.10 -1.24 -1.46 0.00 0.00 -1.22 -0.18 121.76 117.56 1uwz s ALA 77 Ca -0.00 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.00 1uwz s ALA 77 Cb -0.01 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1uwz s ALA 77 CO -0.00 -0.76 2.55 -3.47 0.00 0.00 0.00 175.76 174.07 1uwz n ASP 78 N -0.34 7.58 -4.90 0.00 2.03 -1.26 -3.26 116.55 116.41 1uwz n ASP 78 Ca -0.14 -2.88 -0.21 0.00 0.52 0.00 0.00 54.79 52.08 1uwz n ASP 78 Cb 0.64 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.52 1uwz n ASP 78 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1uwz s THR 79 N 0.79 4.53 0.18 5.18 -4.23 -1.26 -4.97 115.64 115.87 1uwz s THR 79 Ca 0.58 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 1uwz s THR 79 Cb 0.17 -3.52 0.11 0.00 1.34 0.00 0.00 72.50 70.60 1uwz s THR 79 CO -0.07 -0.29 1.70 -0.65 -0.54 0.00 0.00 174.62 174.77 1uwz h PRO 80 N 1.28 0.17 0.00 3.99 0.11 -2.01 -3.43 132.00 132.11 1uwz h PRO 80 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uwz h PRO 80 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1uwz h PRO 80 CO 0.59 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 1uwz n GLY 81 N -1.29 5.42 3.71 -0.55 0.00 -1.26 -5.01 105.19 106.21 1uwz n GLY 81 Ca 0.05 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 1uwz n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uwz n PRO 82 N -0.03 2.38 -1.72 1.61 -0.02 -1.26 -4.45 135.00 131.52 1uwz n PRO 82 Ca 0.00 0.85 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 1uwz n PRO 82 Cb 0.00 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 30.89 1uwz n PRO 82 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1uwz n VAL 83 N 2.13 1.26 -3.45 -1.45 3.14 -0.96 -4.82 118.33 114.17 1uwz n VAL 83 Ca 0.10 -0.31 -0.41 0.00 -2.96 0.00 0.00 64.34 60.76 1uwz n VAL 83 Cb 0.34 -1.77 -0.10 0.00 -1.06 0.00 0.00 33.84 31.26 1uwz n VAL 83 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1uwz s SER 84 N 0.25 6.13 0.37 6.55 0.15 -1.26 -4.63 113.70 121.27 1uwz s SER 84 Ca 0.63 -0.35 -0.28 0.00 0.70 0.00 0.00 55.95 56.65 1uwz s SER 84 Cb -0.55 -2.17 -0.11 0.00 -1.71 0.00 0.00 66.02 61.48 1uwz s SER 84 CO 0.53 -0.31 1.40 -2.65 1.20 0.00 0.00 173.24 173.40 1uwz n PRO 85 N 5.27 2.40 -1.29 5.44 -0.02 -1.26 -4.94 135.00 140.61 1uwz n PRO 85 Ca -0.10 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 61.91 1uwz n PRO 85 Cb 0.49 -2.53 0.09 0.00 -0.02 0.00 0.00 33.50 31.54 1uwz n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uwz h GLY 87 N -1.15 1.32 1.01 0.00 0.00 -1.99 -1.37 103.07 100.88 1uwz h GLY 87 Ca -0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 1uwz h GLY 87 CO 0.52 -0.04 0.45 0.00 0.00 0.00 0.00 176.54 177.47 1uwz h ALA 88 N 1.55 0.94 -0.47 3.60 0.00 -1.99 -1.43 119.26 121.46 1uwz h ALA 88 Ca 0.45 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 1uwz h ALA 88 Cb 0.63 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1uwz h ALA 88 CO -0.36 0.41 -0.13 0.00 0.00 0.00 0.00 179.25 179.17 1uwz h ARG 90 N 0.79 0.66 -0.30 0.00 3.08 -0.87 0.26 114.38 118.01 1uwz h ARG 90 Ca 0.12 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1uwz h ARG 90 Cb 0.65 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1uwz h ARG 90 CO 0.05 0.54 -0.02 0.37 -1.07 0.00 0.00 179.97 179.83 1uwz h GLN 91 N 0.66 0.54 -0.50 0.04 5.75 -0.71 0.54 115.11 121.43 1uwz h GLN 91 Ca 0.16 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1uwz h GLN 91 Cb 0.11 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1uwz h GLN 91 CO -0.02 0.70 0.06 0.28 -2.65 0.00 0.00 178.83 177.20 1uwz h VAL 92 N 0.32 1.25 -0.50 2.39 2.07 -0.67 -2.57 116.25 118.55 1uwz h VAL 92 Ca 0.08 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1uwz h VAL 92 Cb 0.47 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1uwz h VAL 92 CO 0.02 0.34 0.27 0.40 0.02 0.00 0.00 177.57 178.63 1uwz h ILE 93 N 0.72 1.17 0.00 4.57 2.04 -0.37 -0.49 117.51 125.14 1uwz h ILE 93 Ca 0.15 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 1uwz h ILE 93 Cb 0.42 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1uwz h ILE 93 CO 0.01 0.18 -0.03 0.77 0.00 0.00 0.00 178.15 179.08 1uwz h SER 94 N 0.66 0.00 0.02 1.72 4.64 -0.70 0.82 113.55 120.71 1uwz h SER 94 Ca 0.18 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.28 1uwz h SER 94 Cb 0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1uwz h SER 94 CO -0.03 0.03 -1.17 -0.08 -0.87 0.00 0.00 176.83 174.72 1uwz h GLU 95 N 0.00 0.04 0.00 4.77 4.57 -1.02 -3.40 114.58 119.54 1uwz h GLU 95 Ca -0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1uwz h GLU 95 Cb 0.20 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1uwz h GLU 95 CO 0.00 1.03 -0.30 1.28 -1.18 0.00 0.00 179.01 179.85 1uwz n LEU 96 N -4.35 0.62 -4.37 1.64 4.77 -0.24 -4.86 117.00 110.22 1uwz n LEU 96 Ca -0.29 0.37 -0.31 0.00 -0.03 0.00 0.00 56.01 55.75 1uwz n LEU 96 Cb 0.70 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 1uwz n LEU 96 CO 0.24 -0.07 -0.54 0.00 -1.33 0.00 0.00 177.39 175.68 1uwz s THR 98 N -0.78 3.28 0.60 0.00 -4.23 -1.26 -4.68 115.64 108.58 1uwz s THR 98 Ca 0.12 0.61 0.29 0.00 -1.18 0.00 0.00 61.69 61.53 1uwz s THR 98 Cb -0.10 -3.13 0.36 0.00 1.34 0.00 0.00 72.50 70.97 1uwz s THR 98 CO 0.02 -0.36 2.01 0.11 -0.54 0.00 0.00 174.62 175.86 1uwz h LYS 99 N 0.13 0.00 -0.41 3.99 1.57 -1.95 -1.98 116.57 117.91 1uwz h LYS 99 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1uwz h LYS 99 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1uwz h LYS 99 CO 0.54 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.17 1uwz n ASP 100 N -3.63 3.00 -4.76 0.86 8.00 -1.26 -2.90 116.55 115.86 1uwz n ASP 100 Ca 0.03 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.18 1uwz n ASP 100 Cb 0.45 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 1uwz n ASP 100 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1uwz s VAL 101 N -1.46 2.53 -0.09 2.53 1.01 -0.74 -4.85 120.40 119.33 1uwz s VAL 101 Ca 0.38 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.62 1uwz s VAL 101 Cb 0.21 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1uwz s VAL 101 CO 0.29 0.10 0.67 -0.63 0.00 0.00 0.00 175.10 175.52 1uwz s ILE 102 N -0.62 5.06 -0.27 2.22 1.01 -0.87 -2.49 121.20 125.24 1uwz s ILE 102 Ca 0.55 1.35 -0.06 0.00 0.00 0.00 0.00 60.65 62.48 1uwz s ILE 102 Cb -0.42 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.04 1uwz s ILE 102 CO 0.51 0.24 0.05 -0.69 0.00 0.00 0.00 174.94 175.04 1uwz s VAL 103 N 0.96 3.93 -0.33 2.92 1.01 0.14 -0.32 120.40 128.71 1uwz s VAL 103 Ca 0.35 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 1uwz s VAL 103 Cb -0.17 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1uwz s VAL 103 CO 0.16 0.22 0.19 -0.69 0.00 0.00 0.00 175.10 174.98 1uwz s VAL 104 N 1.52 4.81 -0.16 2.92 1.01 0.20 -1.52 120.40 129.18 1uwz s VAL 104 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1uwz s VAL 104 Cb -0.16 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1uwz s VAL 104 CO 0.02 -0.01 0.02 -0.76 0.00 0.00 0.00 175.10 174.36 1uwz s LEU 105 N 1.64 3.56 0.29 3.92 1.43 0.95 -1.05 118.68 129.42 1uwz s LEU 105 Ca 0.05 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1uwz s LEU 105 Cb -0.18 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1uwz s LEU 105 CO 0.08 0.18 0.40 0.28 0.23 0.00 0.00 176.35 177.52 1uwz s THR 106 N 0.29 0.00 0.00 5.49 -1.32 -0.61 -0.47 115.64 119.02 1uwz s THR 106 Ca 0.00 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1uwz s THR 106 Cb -0.13 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1uwz s THR 106 CO 0.01 0.00 0.00 -0.46 -2.21 0.00 0.00 174.62 171.96 1uwz n ASN 107 N -0.93 0.21 -1.43 8.08 0.23 -1.20 -2.26 115.26 117.97 1uwz n ASN 107 Ca 0.01 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.14 1uwz n ASN 107 Cb 0.62 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.65 1uwz n ASN 107 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1uwz n LEU 108 N 0.00 4.59 -0.65 -4.53 4.77 -1.20 -4.37 117.00 115.62 1uwz n LEU 108 Ca 0.00 -2.56 0.05 0.00 -0.03 0.00 0.00 56.01 53.47 1uwz n LEU 108 Cb 0.00 -0.55 0.11 0.00 -2.33 0.00 0.00 43.42 40.64 1uwz n LEU 108 CO 0.00 0.76 0.33 0.00 -1.33 0.00 0.00 177.39 177.15 1uwz n GLN 109 N 0.74 0.84 -0.98 3.23 6.02 -1.26 -5.00 117.38 120.97 1uwz n GLN 109 Ca 0.24 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 1uwz n GLN 109 Cb 0.89 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 31.14 1uwz n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uwz n GLY 110 N -0.62 0.75 3.71 1.08 0.00 -1.26 -5.00 105.19 103.85 1uwz n GLY 110 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1uwz n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uwz s GLN 111 N -0.08 4.37 -0.08 1.61 -1.52 -1.26 -4.95 119.66 117.74 1uwz s GLN 111 Ca 0.00 1.89 0.01 0.00 -1.95 0.00 0.00 55.36 55.30 1uwz s GLN 111 Cb 0.00 -3.35 0.02 0.00 -0.22 0.00 0.00 33.01 29.46 1uwz s GLN 111 CO 0.00 -0.37 -0.08 0.42 -0.25 0.00 0.00 175.29 175.02 1uwz s ILE 112 N 1.30 0.91 -0.12 1.08 1.01 -1.26 -3.21 121.20 120.91 1uwz s ILE 112 Ca 0.61 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1uwz s ILE 112 Cb -0.32 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1uwz s ILE 112 CO 0.29 0.33 -0.17 -0.75 0.00 0.00 0.00 174.94 174.63 1uwz s LYS 113 N 1.27 2.50 -0.10 2.79 2.20 0.38 -4.99 119.74 123.79 1uwz s LYS 113 Ca -0.04 -0.66 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1uwz s LYS 113 Cb -0.14 -2.10 -0.01 0.00 -1.51 0.00 0.00 37.83 34.06 1uwz s LYS 113 CO -0.03 -0.07 -0.17 -2.00 -0.36 0.00 0.00 175.35 172.73 1uwz s GLU 114 N 0.99 3.07 0.20 4.03 2.12 -1.26 -0.04 118.70 127.82 1uwz s GLU 114 Ca -0.05 -0.75 -0.14 0.00 0.36 0.00 0.00 54.97 54.39 1uwz s GLU 114 Cb -0.15 -2.47 0.01 0.00 0.26 0.00 0.00 34.13 31.78 1uwz s GLU 114 CO -0.03 0.30 0.46 0.00 -0.54 0.00 0.00 175.26 175.45 1uwz s MET 115 N 0.09 1.38 0.58 4.30 0.23 -0.57 -5.00 119.30 120.30 1uwz s MET 115 Ca -0.07 -1.04 -0.02 0.00 -1.03 0.00 0.00 55.69 53.52 1uwz s MET 115 Cb -0.15 0.48 0.03 0.00 -1.53 0.00 0.00 34.83 33.65 1uwz s MET 115 CO 0.05 -0.57 0.84 0.95 -2.03 0.00 0.00 175.02 174.26 1uwz s THR 116 N -3.93 2.98 0.26 3.16 -4.23 -1.26 0.24 115.64 112.85 1uwz s THR 116 Ca 0.15 -0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 1uwz s THR 116 Cb -0.00 -3.17 0.23 0.00 1.34 0.00 0.00 72.50 70.91 1uwz s THR 116 CO 0.01 -0.14 1.90 0.58 -0.54 0.00 0.00 174.62 176.43 1uwz h VAL 117 N -0.08 1.25 -0.20 2.29 2.07 -1.35 -0.34 116.25 119.88 1uwz h VAL 117 Ca -0.44 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1uwz h VAL 117 Cb 1.29 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1uwz h VAL 117 CO 0.57 0.26 0.13 -0.08 0.02 0.00 0.00 177.57 178.47 1uwz h GLU 118 N 1.22 0.27 -0.04 1.57 4.57 -1.85 -2.35 114.58 117.97 1uwz h GLU 118 Ca 0.32 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.41 1uwz h GLU 118 Cb -0.04 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1uwz h GLU 118 CO -0.06 0.19 -0.29 0.93 -1.18 0.00 0.00 179.01 178.60 1uwz h GLU 119 N 0.27 0.07 -0.70 1.92 5.08 -1.75 -1.65 114.58 117.83 1uwz h GLU 119 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1uwz h GLU 119 Cb -0.02 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1uwz h GLU 119 CO -0.02 0.36 0.44 1.25 -1.00 0.00 0.00 179.01 180.04 1uwz h LEU 120 N 0.06 0.81 -5.60 1.33 5.85 -0.53 -3.37 115.31 113.87 1uwz h LEU 120 Ca 0.01 -0.03 -0.31 0.00 0.84 0.00 0.00 57.88 58.38 1uwz h LEU 120 Cb 0.55 -0.20 -0.25 0.00 0.37 0.00 0.00 40.66 41.12 1uwz h LEU 120 CO 0.04 0.60 -0.67 -0.22 -0.34 0.00 0.00 178.44 177.85 1uwz s LEU 121 N -9.77 -0.37 0.26 2.25 2.96 -1.03 -5.02 118.68 107.96 1uwz s LEU 121 Ca -0.11 -2.16 -0.31 0.00 -0.22 0.00 0.00 54.13 51.34 1uwz s LEU 121 Cb 0.18 1.00 -0.13 0.00 0.50 0.00 0.00 46.19 47.74 1uwz s LEU 121 CO 0.78 -0.11 1.51 -2.65 -1.32 0.00 0.00 176.35 174.56 1uwz n PRO 122 N 3.04 2.37 -2.45 0.98 -0.02 -0.65 -2.13 135.00 136.13 1uwz n PRO 122 Ca 0.21 0.84 -0.19 0.00 -2.02 0.00 0.00 63.50 62.34 1uwz n PRO 122 Cb 0.53 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 1uwz n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uwz n GLY 123 N 2.29 -0.50 3.59 -1.23 0.00 -1.26 -4.88 105.19 103.20 1uwz n GLY 123 Ca 0.11 0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 1uwz n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwz n ALA 124 N -2.16 -0.34 -1.68 4.61 0.00 -0.91 -4.85 120.51 115.19 1uwz n ALA 124 Ca -0.22 0.42 -0.45 0.00 0.00 0.00 0.00 53.44 53.20 1uwz n ALA 124 Cb 0.67 -2.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1uwz n ALA 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uwz n PHE 125 N 0.90 2.25 -4.18 0.00 7.35 -1.26 -4.96 117.46 117.56 1uwz n PHE 125 Ca 0.12 0.38 -0.16 0.00 -0.76 0.00 0.00 57.45 57.04 1uwz n PHE 125 Cb 0.29 -2.49 -0.07 0.00 0.35 0.00 0.00 39.48 37.56 1uwz n PHE 125 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1uwz s SER 126 N 0.43 1.03 0.42 -2.13 1.04 -1.26 -4.98 113.70 108.25 1uwz s SER 126 Ca 0.70 -1.55 0.15 0.00 0.48 0.00 0.00 55.95 55.73 1uwz s SER 126 Cb -0.64 0.56 1.03 0.00 0.10 0.00 0.00 66.02 67.07 1uwz s SER 126 CO 0.47 -1.11 1.92 0.77 0.98 0.00 0.00 173.24 176.27 1uwz h SER 127 N 2.22 0.41 -0.21 7.02 4.64 -2.00 0.15 113.55 125.79 1uwz h SER 127 Ca -0.28 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.10 1uwz h SER 127 Cb 1.24 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1uwz h SER 127 CO 0.40 0.21 0.14 -0.33 -0.87 0.00 0.00 176.83 176.39 1uwz h GLU 128 N 0.44 0.09 0.00 4.77 3.07 -1.98 0.20 114.58 121.17 1uwz h GLU 128 Ca 0.37 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.17 1uwz h GLU 128 Cb 0.82 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1uwz h GLU 128 CO -0.12 0.06 -0.26 -0.44 -1.40 0.00 0.00 179.01 176.84 1uwz h ASP 129 N 0.09 0.00 -0.01 1.42 3.32 -1.37 -3.55 116.42 116.32 1uwz h ASP 129 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1uwz h ASP 129 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1uwz h ASP 129 CO -0.01 0.26 0.00 0.18 -1.72 0.00 0.00 179.24 177.95