#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwu n LYS 2 N 0.00 -3.61 0.10 0.03 0.00 -1.26 -4.45 118.16 108.97 1rwu n LYS 2 Ca 0.00 2.73 0.00 0.00 0.00 0.00 0.00 58.31 61.04 1rwu n LYS 2 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 35.03 31.82 1rwu n LYS 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1rwu n THR 3 N -1.51 0.05 -3.77 3.15 -1.04 -1.26 -3.69 114.28 106.20 1rwu n THR 3 Ca 0.00 0.02 -0.13 0.00 -2.04 0.00 0.00 64.05 61.89 1rwu n THR 3 Cb 0.16 -0.41 -0.09 0.00 -1.82 0.00 0.00 70.33 68.17 1rwu n THR 3 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1rwu s LYS 4 N -1.71 0.61 0.00 -2.82 0.00 -1.26 -4.39 119.74 110.18 1rwu s LYS 4 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 55.97 55.86 1rwu s LYS 4 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 37.83 38.10 1rwu s LYS 4 CO 0.00 -0.16 0.00 1.28 0.00 0.00 0.00 175.35 176.47 1rwu n LEU 5 N 1.53 0.00 -4.64 2.77 4.77 -1.26 -4.94 117.00 115.22 1rwu n LEU 5 Ca -0.20 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 1rwu n LEU 5 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1rwu n LEU 5 CO 0.21 -0.29 1.67 0.59 -1.33 0.00 0.00 177.39 178.24 1rwu n ASN 6 N -1.73 3.91 -3.53 -1.43 3.02 -1.26 -4.94 115.26 109.30 1rwu n ASN 6 Ca 0.00 0.73 -0.15 0.00 -0.03 0.00 0.00 54.58 55.13 1rwu n ASN 6 Cb 0.00 -1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 37.59 1rwu n ASN 6 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1rwu s GLU 7 N 4.95 1.08 -0.27 3.52 4.04 -1.26 -5.06 118.70 125.69 1rwu s GLU 7 Ca 0.92 -0.10 0.08 0.00 0.04 0.00 0.00 54.97 55.92 1rwu s GLU 7 Cb -0.42 0.50 0.45 0.00 0.02 0.00 0.00 34.13 34.68 1rwu s GLU 7 CO 0.41 -0.39 1.19 -0.11 -1.84 0.00 0.00 175.26 174.52 1rwu n LEU 8 N 0.47 4.44 0.07 1.83 -0.00 -1.26 -4.80 117.00 117.75 1rwu n LEU 8 Ca -0.18 -4.55 0.00 0.00 -0.00 0.00 0.00 56.01 51.28 1rwu n LEU 8 Cb 0.60 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.66 1rwu n LEU 8 CO 0.20 1.95 0.00 0.18 -0.00 0.00 0.00 177.39 179.72 1rwu n LEU 9 N -0.78 0.43 -3.58 -1.96 4.32 -1.26 -5.06 117.00 109.12 1rwu n LEU 9 Ca 0.39 0.22 -0.21 0.00 -0.02 0.00 0.00 56.01 56.39 1rwu n LEU 9 Cb 0.92 -0.02 0.05 0.00 -1.62 0.00 0.00 43.42 42.75 1rwu n LEU 9 CO 0.31 -0.70 -0.02 1.21 -1.22 0.00 0.00 177.39 176.97 1rwu n GLU 10 N -3.24 -4.44 -3.30 3.23 4.07 -1.25 -4.94 120.64 110.76 1rwu n GLU 10 Ca 0.00 0.68 -0.42 0.00 -0.06 0.00 0.00 57.16 57.36 1rwu n GLU 10 Cb 0.00 -5.29 -0.08 0.00 -0.06 0.00 0.00 31.44 26.01 1rwu n GLU 10 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1rwu s PHE 11 N -3.55 3.17 -0.39 4.31 5.36 -0.09 -4.89 117.98 121.91 1rwu s PHE 11 Ca 0.12 -0.12 -0.28 0.00 -0.96 0.00 0.00 56.93 55.69 1rwu s PHE 11 Cb -0.03 -2.90 -0.01 0.00 -0.34 0.00 0.00 43.02 39.74 1rwu s PHE 11 CO 0.79 -0.62 1.67 -1.25 -1.46 0.00 0.00 175.22 174.35 1rwu s PRO 12 N 2.25 3.34 0.01 10.12 0.04 -1.26 -4.03 135.00 145.46 1rwu s PRO 12 Ca 0.15 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.40 1rwu s PRO 12 Cb -0.16 -4.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 1rwu s PRO 12 CO 0.14 -1.85 -0.16 -0.08 0.04 0.00 0.00 177.00 175.08 1rwu s THR 13 N 6.61 1.26 0.08 1.26 -1.32 -0.72 -4.89 115.64 117.93 1rwu s THR 13 Ca 0.72 -0.84 -0.31 0.00 -1.21 0.00 0.00 61.69 60.05 1rwu s THR 13 Cb -0.18 -1.09 -0.06 0.00 -1.51 0.00 0.00 72.50 69.66 1rwu s THR 13 CO 0.32 0.23 1.27 -2.16 -2.21 0.00 0.00 174.62 172.06 1rwu s PRO 14 N -0.71 4.39 -0.41 7.08 0.04 -1.26 -1.89 135.00 142.23 1rwu s PRO 14 Ca 0.05 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1rwu s PRO 14 Cb -0.07 -3.32 0.11 0.00 0.04 0.00 0.00 34.50 31.26 1rwu s PRO 14 CO 0.00 -0.33 0.21 -0.06 0.04 0.00 0.00 177.00 176.87 1rwu s PHE 15 N 1.11 3.54 -0.86 0.56 0.08 0.13 -4.92 117.98 117.61 1rwu s PHE 15 Ca 0.61 -2.26 -0.25 0.00 0.12 0.00 0.00 56.93 55.15 1rwu s PHE 15 Cb -0.32 -3.18 -0.01 0.00 -0.57 0.00 0.00 43.02 38.94 1rwu s PHE 15 CO 0.29 -0.96 1.73 0.99 -0.10 0.00 0.00 175.22 177.18 1rwu s THR 16 N 1.19 3.58 -0.48 0.64 2.01 -1.26 -2.55 115.64 118.78 1rwu s THR 16 Ca 0.07 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 1rwu s THR 16 Cb -0.23 -4.36 0.10 0.00 0.01 0.00 0.00 72.50 68.02 1rwu s THR 16 CO -0.03 -1.30 0.37 -0.31 -0.69 0.00 0.00 174.62 172.67 1rwu s TYR 17 N 8.11 3.33 -1.02 4.92 1.51 -0.99 -4.86 117.35 128.34 1rwu s TYR 17 Ca 0.60 -1.47 -0.23 0.00 -1.01 0.00 0.00 57.07 54.96 1rwu s TYR 17 Cb -0.06 -3.38 0.03 0.00 -0.11 0.00 0.00 41.96 38.44 1rwu s TYR 17 CO 0.03 -0.93 1.58 0.15 -1.11 0.00 0.00 175.55 175.26 1rwu s LYS 18 N 1.49 3.39 -0.51 -0.62 1.02 -1.26 -0.87 119.74 122.37 1rwu s LYS 18 Ca 0.04 -1.01 -0.27 0.00 0.02 0.00 0.00 55.97 54.75 1rwu s LYS 18 Cb -0.26 -5.31 0.03 0.00 -0.52 0.00 0.00 37.83 31.77 1rwu s LYS 18 CO 0.02 -2.48 1.06 0.14 -0.92 0.00 0.00 175.35 173.18 1rwu s VAL 19 N 6.06 4.26 0.12 3.17 -7.23 0.16 0.43 120.40 127.37 1rwu s VAL 19 Ca 0.52 0.84 0.05 0.00 -1.81 0.00 0.00 61.98 61.58 1rwu s VAL 19 Cb -0.01 -4.58 -0.04 0.00 0.56 0.00 0.00 36.38 32.31 1rwu s VAL 19 CO -0.07 -1.07 0.04 -0.04 -0.31 0.00 0.00 175.10 173.65 1rwu s MET 20 N 4.32 2.64 0.00 4.82 -1.94 0.27 -2.07 119.30 127.33 1rwu s MET 20 Ca 0.41 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1rwu s MET 20 Cb -0.09 -2.56 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1rwu s MET 20 CO 0.26 0.52 0.00 0.41 -0.01 0.00 0.00 175.02 176.20 1rwu n GLY 21 N 0.26 -0.56 3.52 -0.03 0.00 -0.90 0.24 105.19 107.72 1rwu n GLY 21 Ca -0.10 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1rwu n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rwu n GLN 22 N 0.00 -3.03 -2.13 1.61 1.13 -0.86 -0.62 117.38 113.47 1rwu n GLN 22 Ca 0.00 -1.77 -0.39 0.00 -1.94 0.00 0.00 57.00 52.90 1rwu n GLN 22 Cb 0.00 -1.62 -0.03 0.00 0.11 0.00 0.00 30.24 28.70 1rwu n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rwu s ALA 23 N -3.08 2.27 -0.26 -1.58 0.00 -0.54 -3.46 121.76 115.11 1rwu s ALA 23 Ca 0.71 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1rwu s ALA 23 Cb -0.07 -4.30 0.07 0.00 0.00 0.00 0.00 23.12 18.82 1rwu s ALA 23 CO 0.54 -3.79 -0.06 -0.51 0.00 0.00 0.00 175.76 171.94 1rwu s LEU 24 N 8.49 3.16 0.30 0.00 2.01 -1.26 -4.97 118.68 126.41 1rwu s LEU 24 Ca 0.61 -1.39 0.25 0.00 0.01 0.00 0.00 54.13 53.61 1rwu s LEU 24 Cb -0.12 -1.37 1.04 0.00 0.01 0.00 0.00 46.19 45.76 1rwu s LEU 24 CO 0.20 -0.24 1.75 1.55 1.01 0.00 0.00 176.35 180.62 1rwu h PRO 25 N 7.85 0.00 -0.00 1.29 0.13 -2.04 -2.82 132.00 136.40 1rwu h PRO 25 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1rwu h PRO 25 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1rwu h PRO 25 CO 0.45 0.00 -0.01 -1.91 -0.23 0.00 0.00 178.00 176.30 1rwu n GLU 26 N -2.37 1.16 -0.09 0.86 0.00 -1.26 -3.99 120.64 114.95 1rwu n GLU 26 Ca 0.02 -0.29 0.05 0.00 0.00 0.00 0.00 57.16 56.94 1rwu n GLU 26 Cb 0.24 -1.49 0.39 0.00 0.00 0.00 0.00 31.44 30.57 1rwu n GLU 26 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.13 178.50 1rwu h LEU 27 N 0.70 0.57 -0.34 4.31 8.10 -1.85 -1.98 115.31 124.82 1rwu h LEU 27 Ca 0.00 -0.01 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 1rwu h LEU 27 Cb 0.17 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 40.25 1rwu h LEU 27 CO 0.00 0.39 -0.83 1.62 -4.11 0.00 0.00 178.44 175.51 1rwu h VAL 28 N 0.66 1.47 -0.09 0.15 3.04 -1.85 -1.79 116.25 117.84 1rwu h VAL 28 Ca 0.23 -2.50 -0.01 0.00 -1.01 0.00 0.00 66.70 63.41 1rwu h VAL 28 Cb 0.10 2.38 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1rwu h VAL 28 CO -0.06 0.73 0.02 -0.78 -1.01 0.00 0.00 177.57 176.47 1rwu h ASP 29 N 0.13 0.14 0.04 3.17 3.58 -1.61 -2.56 116.42 119.30 1rwu h ASP 29 Ca -0.04 -0.24 -0.19 0.00 0.42 0.00 0.00 57.03 56.98 1rwu h ASP 29 Cb 1.44 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1rwu h ASP 29 CO 0.13 0.34 -0.70 -0.61 -2.88 0.00 0.00 179.24 175.51 1rwu h GLN 30 N -0.07 0.60 -0.40 0.28 5.75 -1.51 -2.38 115.11 117.39 1rwu h GLN 30 Ca 0.03 -0.46 0.04 0.00 -0.15 0.00 0.00 58.65 58.10 1rwu h GLN 30 Cb 0.26 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 1rwu h GLN 30 CO 0.00 1.09 0.16 0.28 -2.65 0.00 0.00 178.83 177.71 1rwu h VAL 31 N 0.42 0.92 0.02 2.39 2.07 -1.28 0.43 116.25 121.23 1rwu h VAL 31 Ca -0.03 -0.12 -0.25 0.00 0.82 0.00 0.00 66.70 67.13 1rwu h VAL 31 Cb 1.30 0.55 0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1rwu h VAL 31 CO 0.13 0.06 -1.02 1.62 0.02 0.00 0.00 177.57 178.39 1rwu h VAL 32 N 0.34 1.36 0.00 2.57 3.04 -1.50 -2.19 116.25 119.87 1rwu h VAL 32 Ca 0.18 -2.43 -0.18 0.00 -1.01 0.00 0.00 66.70 63.25 1rwu h VAL 32 Cb 0.13 2.47 -0.02 0.00 -2.01 0.00 0.00 31.29 31.86 1rwu h VAL 32 CO -0.16 0.73 -0.83 1.05 -1.01 0.00 0.00 177.57 177.35 1rwu h GLU 33 N 0.27 0.10 0.13 4.17 -0.00 -1.24 -2.16 114.58 115.85 1rwu h GLU 33 Ca -0.11 -0.11 -0.28 0.00 -0.00 0.00 0.00 59.36 58.87 1rwu h GLU 33 Cb 1.66 0.03 0.01 0.00 -0.00 0.00 0.00 28.75 30.45 1rwu h GLU 33 CO 0.18 0.87 -1.24 -0.24 -0.00 0.00 0.00 179.01 178.58 1rwu h VAL 34 N 0.05 1.50 0.00 -1.06 3.04 -0.21 -2.17 116.25 117.40 1rwu h VAL 34 Ca -0.03 -3.06 -0.15 0.00 -1.01 0.00 0.00 66.70 62.46 1rwu h VAL 34 Cb 1.45 2.95 -0.02 0.00 -2.01 0.00 0.00 31.29 33.66 1rwu h VAL 34 CO 0.12 0.89 -0.70 1.62 -1.01 0.00 0.00 177.57 178.50 1rwu h VAL 35 N 0.08 1.49 0.05 1.51 3.04 -1.44 -3.02 116.25 117.96 1rwu h VAL 35 Ca -0.14 -2.39 -0.25 0.00 -1.01 0.00 0.00 66.70 62.92 1rwu h VAL 35 Cb 1.97 2.29 0.01 0.00 -2.01 0.00 0.00 31.29 33.55 1rwu h VAL 35 CO 0.21 0.68 -1.06 -0.61 -1.01 0.00 0.00 177.57 175.78 1rwu h GLN 36 N 0.00 0.42 0.00 4.17 4.15 -1.43 0.27 115.11 122.69 1rwu h GLN 36 Ca -0.01 -0.52 -0.04 0.00 0.77 0.00 0.00 58.65 58.85 1rwu h GLN 36 Cb 1.24 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1rwu h GLN 36 CO 0.09 1.18 -0.21 0.00 -1.93 0.00 0.00 178.83 177.96 1rwu h ARG 37 N 0.21 0.00 0.00 1.69 3.08 -1.36 -3.32 114.38 114.68 1rwu h ARG 37 Ca -0.11 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.62 1rwu h ARG 37 Cb 1.72 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.72 1rwu h ARG 37 CO 0.19 0.21 -2.13 0.72 -1.07 0.00 0.00 179.97 177.88 1rwu n HIS 38 N -3.87 0.00 -3.93 3.04 8.25 -1.15 -4.14 115.22 113.43 1rwu n HIS 38 Ca -0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 1rwu n HIS 38 Cb 0.30 -0.74 -0.04 0.00 1.12 0.00 0.00 29.99 30.63 1rwu n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rwu s ALA 39 N -2.38 3.99 0.17 -1.41 0.00 0.93 -4.65 121.76 118.41 1rwu s ALA 39 Ca -0.28 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 1rwu s ALA 39 Cb 0.09 -1.81 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1rwu s ALA 39 CO 0.40 0.82 1.50 -1.00 0.00 0.00 0.00 175.76 177.48 1rwu h PRO 40 N 3.06 0.79 -6.59 0.00 0.13 -1.79 -3.36 132.00 124.24 1rwu h PRO 40 Ca -0.45 -0.43 -0.52 0.00 -0.87 0.00 0.00 66.00 63.73 1rwu h PRO 40 Cb 1.16 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1rwu h PRO 40 CO 0.75 1.06 0.10 0.20 -0.23 0.00 0.00 178.00 179.89 1rwu s GLY 41 N -3.94 2.57 0.25 1.56 0.00 -1.26 -4.97 107.32 101.53 1rwu s GLY 41 Ca -0.10 0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.66 1rwu s GLY 41 CO 0.86 0.48 0.59 0.99 0.00 0.00 0.00 173.10 176.02 1rwu s ASP 42 N -1.74 6.65 0.36 1.64 1.11 -1.26 -4.51 116.67 118.92 1rwu s ASP 42 Ca 0.44 0.99 0.06 0.00 0.18 0.00 0.00 52.55 54.22 1rwu s ASP 42 Cb -0.16 -2.25 -0.03 0.00 1.07 0.00 0.00 42.92 41.55 1rwu s ASP 42 CO 0.20 -0.10 0.22 -0.31 1.18 0.00 0.00 175.17 176.36 1rwu s TYR 43 N -1.86 1.75 0.04 4.23 2.02 -1.26 -5.05 117.35 117.23 1rwu s TYR 43 Ca 0.49 -1.51 -0.02 0.00 -0.37 0.00 0.00 57.07 55.65 1rwu s TYR 43 Cb -0.11 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1rwu s TYR 43 CO 0.21 -0.64 0.00 0.99 -1.57 0.00 0.00 175.55 174.54 1rwu s THR 44 N -3.36 0.18 0.42 -0.71 2.01 -1.26 -4.25 115.64 108.67 1rwu s THR 44 Ca 0.33 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 60.88 1rwu s THR 44 Cb 0.02 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 1rwu s THR 44 CO 0.22 -0.81 0.63 -2.16 -0.69 0.00 0.00 174.62 171.81 1rwu s PRO 45 N -3.17 3.19 -0.47 4.92 0.04 -1.26 -2.77 135.00 135.47 1rwu s PRO 45 Ca -0.00 -0.46 0.03 0.00 0.04 0.00 0.00 61.00 60.61 1rwu s PRO 45 Cb 0.02 -2.59 0.14 0.00 0.04 0.00 0.00 34.50 32.11 1rwu s PRO 45 CO -0.07 -0.15 0.27 0.99 0.04 0.00 0.00 177.00 178.08 1rwu s THR 46 N -2.48 1.72 0.24 1.26 2.01 0.19 -4.88 115.64 113.69 1rwu s THR 46 Ca 0.46 -2.85 -0.24 0.00 0.31 0.00 0.00 61.69 59.37 1rwu s THR 46 Cb -0.10 -2.19 -0.09 0.00 0.01 0.00 0.00 72.50 70.13 1rwu s THR 46 CO 0.37 -0.90 0.82 0.54 -0.69 0.00 0.00 174.62 174.77 1rwu s VAL 47 N 0.07 4.36 0.02 3.82 0.11 -1.26 -1.95 120.40 125.57 1rwu s VAL 47 Ca 0.19 1.63 -0.05 0.00 -2.93 0.00 0.00 61.98 60.82 1rwu s VAL 47 Cb -0.22 -4.03 -0.01 0.00 -1.53 0.00 0.00 36.38 30.59 1rwu s VAL 47 CO -0.02 0.31 0.07 -1.59 -3.33 0.00 0.00 175.10 170.54 1rwu s LYS 48 N -1.68 0.50 -1.17 1.54 -2.85 0.47 -4.93 119.74 111.61 1rwu s LYS 48 Ca 0.43 -0.64 -0.21 0.00 -1.00 0.00 0.00 55.97 54.55 1rwu s LYS 48 Cb -0.20 0.19 -0.00 0.00 -2.06 0.00 0.00 37.83 35.76 1rwu s LYS 48 CO 0.24 -0.11 1.78 -1.25 0.10 0.00 0.00 175.35 176.11 1rwu s PRO 49 N -2.05 3.25 -0.13 1.78 0.04 -1.26 -2.26 135.00 134.37 1rwu s PRO 49 Ca -0.10 -1.37 -0.14 0.00 0.04 0.00 0.00 61.00 59.42 1rwu s PRO 49 Cb -0.05 -5.35 -0.25 0.00 0.04 0.00 0.00 34.50 28.89 1rwu s PRO 49 CO -0.02 -2.97 0.43 0.77 0.04 0.00 0.00 177.00 175.25 1rwu h SER 50 N 9.10 0.31 -1.75 6.66 0.02 -1.88 -3.48 113.55 122.54 1rwu h SER 50 Ca 0.29 -0.81 -0.46 0.00 -0.84 0.00 0.00 61.79 59.97 1rwu h SER 50 Cb 0.93 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 1rwu h SER 50 CO 1.35 1.66 -0.37 -0.44 -1.14 0.00 0.00 176.83 177.89 1rwu s SER 51 N -7.00 5.62 0.17 3.07 0.01 -1.26 -5.07 113.70 109.24 1rwu s SER 51 Ca -0.22 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 56.69 1rwu s SER 51 Cb 0.05 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.23 1rwu s SER 51 CO 0.73 -0.46 0.29 -0.54 0.41 0.00 0.00 173.24 173.67 1rwu s LYS 52 N -4.13 3.43 1.58 12.44 3.01 -1.26 -4.69 119.74 130.11 1rwu s LYS 52 Ca 0.45 -0.63 0.00 0.00 -1.01 0.00 0.00 55.97 54.78 1rwu s LYS 52 Cb -0.08 -2.94 0.00 0.00 -1.01 0.00 0.00 37.83 33.80 1rwu s LYS 52 CO 0.29 0.50 0.00 0.41 0.51 0.00 0.00 175.35 177.07 1rwu n GLY 53 N -0.69 0.82 2.77 -3.33 0.00 -1.26 -4.42 105.19 99.07 1rwu n GLY 53 Ca -0.07 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1rwu n GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rwu n ASN 54 N 1.71 6.74 -3.85 1.61 5.15 -1.26 -4.96 115.26 120.39 1rwu n ASN 54 Ca 0.00 -3.60 -0.12 0.00 -0.60 0.00 0.00 54.58 50.26 1rwu n ASN 54 Cb 0.00 -1.14 -0.14 0.00 -0.53 0.00 0.00 39.78 37.97 1rwu n ASN 54 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1rwu s TYR 55 N -3.73 -0.04 -0.01 1.20 6.14 -1.26 -1.47 117.35 118.18 1rwu s TYR 55 Ca 0.37 0.10 0.00 0.00 0.64 0.00 0.00 57.07 58.19 1rwu s TYR 55 Cb 0.15 0.00 0.01 0.00 0.42 0.00 0.00 41.96 42.54 1rwu s TYR 55 CO -0.05 -0.02 0.00 -1.01 0.64 0.00 0.00 175.55 175.11 1rwu s HIS 56 N 0.08 0.06 -0.23 4.97 3.76 0.21 -4.39 115.29 119.75 1rwu s HIS 56 Ca -0.01 0.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 1rwu s HIS 56 Cb -0.01 -0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.55 1rwu s HIS 56 CO -0.00 -0.03 0.02 -1.12 -0.85 0.00 0.00 174.74 172.76 1rwu s SER 57 N 0.32 4.77 0.04 1.40 0.01 -0.96 -2.12 113.70 117.17 1rwu s SER 57 Ca -0.03 -0.28 0.06 0.00 1.31 0.00 0.00 55.95 57.02 1rwu s SER 57 Cb -0.04 -1.84 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 1rwu s SER 57 CO -0.01 -0.02 -0.18 0.54 0.41 0.00 0.00 173.24 173.99 1rwu s VAL 58 N 1.48 1.42 -0.24 3.43 0.11 -0.88 -0.40 120.40 125.32 1rwu s VAL 58 Ca 0.05 -1.11 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 1rwu s VAL 58 Cb -0.15 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1rwu s VAL 58 CO 0.01 0.12 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.93 1rwu s SER 59 N -1.16 4.47 -0.09 3.54 1.04 -0.82 0.40 113.70 121.08 1rwu s SER 59 Ca 0.05 -0.54 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 1rwu s SER 59 Cb -0.08 -1.75 -0.05 0.00 0.10 0.00 0.00 66.02 64.23 1rwu s SER 59 CO 0.02 -0.07 0.36 -0.51 0.98 0.00 0.00 173.24 174.01 1rwu s ILE 60 N 1.45 5.20 -0.36 -1.02 2.07 -0.05 -0.64 121.20 127.85 1rwu s ILE 60 Ca 0.04 0.71 -0.22 0.00 -1.41 0.00 0.00 60.65 59.77 1rwu s ILE 60 Cb -0.15 -3.68 0.01 0.00 0.13 0.00 0.00 42.46 38.76 1rwu s ILE 60 CO -0.02 0.46 0.71 -0.89 -1.91 0.00 0.00 174.94 173.29 1rwu s THR 61 N -0.19 4.81 -0.35 4.00 2.01 -1.11 -2.35 115.64 122.46 1rwu s THR 61 Ca 0.21 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.95 1rwu s THR 61 Cb -0.15 -4.15 0.10 0.00 0.01 0.00 0.00 72.50 68.32 1rwu s THR 61 CO 0.09 -0.38 0.07 -0.63 -0.69 0.00 0.00 174.62 173.08 1rwu s ILE 62 N 2.90 2.02 -1.04 1.82 -1.09 -1.06 -4.44 121.20 120.31 1rwu s ILE 62 Ca 0.28 -2.22 -0.17 0.00 -2.23 0.00 0.00 60.65 56.30 1rwu s ILE 62 Cb -0.14 -2.49 0.14 0.00 -1.58 0.00 0.00 42.46 38.39 1rwu s ILE 62 CO 0.16 -0.63 1.28 0.21 -1.23 0.00 0.00 174.94 174.73 1rwu s ASN 63 N 0.97 6.78 -0.10 3.58 2.47 -1.26 0.17 114.94 127.54 1rwu s ASN 63 Ca 0.11 -2.35 -0.05 0.00 0.42 0.00 0.00 52.86 51.00 1rwu s ASN 63 Cb -0.19 -2.42 -0.04 0.00 -1.45 0.00 0.00 41.25 37.15 1rwu s ASN 63 CO -0.11 -0.99 0.08 0.00 -3.72 0.00 0.00 177.10 172.37 1rwu s ALA 64 N 2.51 3.64 -1.32 1.71 0.00 -0.79 -4.69 121.76 122.82 1rwu s ALA 64 Ca 0.38 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.86 1rwu s ALA 64 Cb -0.03 -1.77 1.15 0.00 0.00 0.00 0.00 23.12 22.47 1rwu s ALA 64 CO -0.06 0.61 1.78 0.25 0.00 0.00 0.00 175.76 178.34 1rwu n THR 65 N 2.02 0.28 -4.27 0.00 -2.24 -1.26 -1.76 114.28 107.06 1rwu n THR 65 Ca -0.19 0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1rwu n THR 65 Cb 0.54 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 1rwu n THR 65 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rwu s HIS 66 N -2.68 1.41 -0.02 4.78 2.46 -1.26 -0.91 115.29 119.07 1rwu s HIS 66 Ca 0.20 -0.66 -0.23 0.00 0.47 0.00 0.00 55.06 54.84 1rwu s HIS 66 Cb 0.16 -0.70 -0.21 0.00 -0.13 0.00 0.00 32.58 31.70 1rwu s HIS 66 CO 0.38 0.17 1.14 0.82 -2.47 0.00 0.00 174.74 174.78 1rwu h ILE 67 N 2.92 1.46 0.00 0.89 2.04 -1.92 -3.16 117.51 119.74 1rwu h ILE 67 Ca -0.38 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 63.75 1rwu h ILE 67 Cb 1.20 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1rwu h ILE 67 CO 0.60 0.48 -0.03 1.05 0.00 0.00 0.00 178.15 180.25 1rwu h GLU 68 N -0.31 0.00 0.25 2.37 -0.00 -1.97 -3.05 114.58 111.88 1rwu h GLU 68 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.33 1rwu h GLU 68 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 1rwu h GLU 68 CO 0.05 0.03 -0.12 0.37 -0.00 0.00 0.00 179.01 179.34 1rwu h GLN 69 N 0.00 -0.33 0.00 1.06 4.15 -1.75 -1.83 115.11 116.41 1rwu h GLN 69 Ca -0.00 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 1rwu h GLN 69 Cb 0.25 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1rwu h GLN 69 CO 0.00 -0.18 -0.36 -0.24 -1.93 0.00 0.00 178.83 176.12 1rwu h VAL 70 N -0.39 1.00 0.23 2.39 3.04 -1.65 -2.35 116.25 118.52 1rwu h VAL 70 Ca -0.03 -1.36 -0.01 0.00 -1.01 0.00 0.00 66.70 64.28 1rwu h VAL 70 Cb 0.30 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1rwu h VAL 70 CO 0.06 0.35 -0.11 -0.33 -1.01 0.00 0.00 177.57 176.53 1rwu h GLU 71 N 0.00 -0.29 -0.62 4.17 3.07 -1.38 0.09 114.58 119.62 1rwu h GLU 71 Ca -0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1rwu h GLU 71 Cb 0.76 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.71 1rwu h GLU 71 CO 0.05 -0.07 0.25 1.79 -1.40 0.00 0.00 179.01 179.63 1rwu h THR 72 N -0.48 1.22 -0.87 1.13 1.35 -1.31 -2.23 112.91 111.72 1rwu h THR 72 Ca -0.03 -0.68 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 1rwu h THR 72 Cb 0.36 0.48 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 1rwu h THR 72 CO 0.05 0.27 0.46 -0.07 -0.25 0.00 0.00 175.52 175.98 1rwu h LEU 73 N 0.89 1.11 -0.32 3.87 4.07 -1.16 0.17 115.31 123.94 1rwu h LEU 73 Ca 0.21 -0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1rwu h LEU 73 Cb 0.17 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1rwu h LEU 73 CO -0.02 0.90 0.12 0.22 -1.08 0.00 0.00 178.44 178.58 1rwu h TYR 74 N 1.23 0.49 -0.00 1.13 3.20 -0.40 -1.15 116.97 121.46 1rwu h TYR 74 Ca 0.30 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 1rwu h TYR 74 Cb 0.06 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1rwu h TYR 74 CO 0.01 0.48 -0.51 1.49 -1.64 0.00 0.00 178.16 178.00 1rwu h GLU 75 N 0.36 0.00 0.06 1.82 4.57 -1.09 -0.14 114.58 120.16 1rwu h GLU 75 Ca 0.10 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1rwu h GLU 75 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1rwu h GLU 75 CO -0.01 0.51 -0.03 0.93 -1.18 0.00 0.00 179.01 179.23 1rwu h GLU 76 N 0.00 -0.08 0.00 1.92 5.08 -0.36 -2.58 114.58 118.56 1rwu h GLU 76 Ca -0.00 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1rwu h GLU 76 Cb 0.90 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1rwu h GLU 76 CO 0.07 0.45 -0.56 1.37 -1.00 0.00 0.00 179.01 179.34 1rwu h LEU 77 N -0.66 0.00 -4.55 1.33 8.10 -1.25 -3.13 115.31 115.15 1rwu h LEU 77 Ca -0.01 0.00 -0.71 0.00 0.11 0.00 0.00 57.88 57.27 1rwu h LEU 77 Cb 0.56 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.49 1rwu h LEU 77 CO 0.01 0.56 0.77 0.61 -4.11 0.00 0.00 178.44 176.28 1rwu n GLY 78 N 0.13 5.73 0.80 0.17 0.00 -0.07 -4.49 105.19 107.46 1rwu n GLY 78 Ca -0.01 -2.45 0.09 0.00 0.00 0.00 0.00 46.02 43.64 1rwu n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rwu n LYS 79 N -0.68 1.93 -1.80 1.61 4.81 -0.97 -4.80 118.16 118.27 1rwu n LYS 79 Ca 0.55 -1.84 -0.39 0.00 -0.87 0.00 0.00 58.31 55.77 1rwu n LYS 79 Cb 0.45 -1.36 0.04 0.00 0.02 0.00 0.00 35.03 34.18 1rwu n LYS 79 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1rwu s ILE 80 N -1.26 2.11 0.47 3.15 1.09 -1.26 -4.87 121.20 120.63 1rwu s ILE 80 Ca 0.26 0.08 0.38 0.00 -1.10 0.00 0.00 60.65 60.27 1rwu s ILE 80 Cb 0.16 -3.04 0.40 0.00 -1.06 0.00 0.00 42.46 38.92 1rwu s ILE 80 CO 0.22 0.00 2.21 -0.78 -0.10 0.00 0.00 174.94 176.50 1rwu h ASP 81 N 1.60 0.00 -3.87 3.58 3.58 -2.01 -3.44 116.42 115.87 1rwu h ASP 81 Ca -0.51 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 56.50 1rwu h ASP 81 Cb 1.29 0.00 0.16 0.00 1.72 0.00 0.00 39.33 42.51 1rwu h ASP 81 CO 0.58 0.02 0.21 -0.63 -2.88 0.00 0.00 179.24 176.54 1rwu s ILE 82 N -4.06 1.90 -0.15 2.25 -1.09 -1.26 -4.89 121.20 113.89 1rwu s ILE 82 Ca -0.03 0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.10 1rwu s ILE 82 Cb 0.12 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.37 1rwu s ILE 82 CO 0.48 0.00 2.02 -0.69 -1.23 0.00 0.00 174.94 175.52 1rwu s VAL 83 N -3.10 3.16 0.18 2.92 1.01 -1.26 -4.95 120.40 118.36 1rwu s VAL 83 Ca 0.67 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.93 1rwu s VAL 83 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1rwu s VAL 83 CO 0.56 -0.08 -0.22 0.00 0.00 0.00 0.00 175.10 175.36 1rwu s ARG 84 N 5.49 1.42 0.14 2.72 1.70 -1.26 -2.04 118.95 127.11 1rwu s ARG 84 Ca 0.91 -1.47 -0.19 0.00 -0.47 0.00 0.00 55.73 54.51 1rwu s ARG 84 Cb -0.34 -1.66 0.05 0.00 -0.57 0.00 0.00 34.95 32.44 1rwu s ARG 84 CO 0.36 0.35 0.48 1.41 -1.08 0.00 0.00 175.30 176.82 1rwu s MET 85 N -2.66 1.15 0.06 3.89 1.75 0.14 -4.93 119.30 118.69 1rwu s MET 85 Ca 0.18 -0.60 0.04 0.00 -1.25 0.00 0.00 55.69 54.06 1rwu s MET 85 Cb -0.07 0.52 -0.03 0.00 2.84 0.00 0.00 34.83 38.09 1rwu s MET 85 CO 0.08 -0.47 -0.13 0.54 -0.65 0.00 0.00 175.02 174.40 1rwu s VAL 86 N -3.75 0.97 0.00 10.11 0.11 -1.26 -0.56 120.40 126.02 1rwu s VAL 86 Ca 0.02 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1rwu s VAL 86 Cb 0.01 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1rwu s VAL 86 CO -0.12 -0.22 0.00 0.18 -3.33 0.00 0.00 175.10 171.61