#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwu s LYS 2 N 0.00 1.39 0.61 2.12 -2.85 -1.26 -4.93 119.74 114.82 1rwu s LYS 2 Ca 0.00 -1.75 -0.18 0.00 -1.00 0.00 0.00 55.97 53.04 1rwu s LYS 2 Cb 0.00 -0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.50 1rwu s LYS 2 CO 0.00 -0.29 1.19 -0.08 0.10 0.00 0.00 175.35 176.27 1rwu s THR 3 N -3.77 2.71 0.00 3.79 -1.32 -1.26 -4.85 115.64 110.94 1rwu s THR 3 Ca 0.37 0.42 0.00 0.00 -1.21 0.00 0.00 61.69 61.27 1rwu s THR 3 Cb 0.08 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 1rwu s THR 3 CO 0.13 -0.12 0.00 0.29 -2.21 0.00 0.00 174.62 172.72 1rwu n LYS 4 N -1.77 0.00 -4.05 7.08 4.01 -1.26 -5.08 118.16 117.08 1rwu n LYS 4 Ca 0.13 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.83 1rwu n LYS 4 Cb 0.50 -0.28 -0.06 0.00 -0.51 0.00 0.00 35.03 34.68 1rwu n LYS 4 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1rwu s LEU 5 N -5.11 0.59 -0.02 -0.35 1.43 -1.26 -5.09 118.68 108.86 1rwu s LEU 5 Ca 0.00 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 51.99 1rwu s LEU 5 Cb 0.00 1.44 -0.01 0.00 0.03 0.00 0.00 46.19 47.65 1rwu s LEU 5 CO 0.00 -1.10 -0.03 -3.20 0.23 0.00 0.00 176.35 172.25 1rwu n ASN 6 N -0.50 0.69 -3.62 2.29 5.15 -1.26 -4.46 115.26 113.55 1rwu n ASN 6 Ca -0.01 0.02 -0.15 0.00 -0.60 0.00 0.00 54.58 53.84 1rwu n ASN 6 Cb 0.63 -0.06 -0.07 0.00 -0.53 0.00 0.00 39.78 39.75 1rwu n ASN 6 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1rwu s GLU 7 N -2.04 0.85 0.48 1.20 2.56 -1.26 -4.45 118.70 116.05 1rwu s GLU 7 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.54 1rwu s GLU 7 Cb 0.01 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.55 1rwu s GLU 7 CO 0.04 -0.18 0.00 -0.11 -0.56 0.00 0.00 175.26 174.45 1rwu n LEU 8 N 1.99 -4.22 0.16 2.70 7.94 -1.26 -4.94 117.00 119.36 1rwu n LEU 8 Ca -0.16 0.92 0.04 0.00 -1.11 0.00 0.00 56.01 55.70 1rwu n LEU 8 Cb 0.56 3.92 0.13 0.00 0.53 0.00 0.00 43.42 48.56 1rwu n LEU 8 CO 0.13 0.29 0.56 0.17 -1.11 0.00 0.00 177.39 177.42 1rwu h LEU 9 N 0.00 0.00 -1.38 -1.96 -0.00 -1.98 -3.48 115.31 106.51 1rwu h LEU 9 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.47 1rwu h LEU 9 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 40.73 1rwu h LEU 9 CO 0.00 0.43 -0.77 1.21 -0.00 0.00 0.00 178.44 179.31 1rwu n GLU 10 N -3.29 -5.97 -3.99 0.17 4.07 -1.18 -4.98 120.64 105.47 1rwu n GLU 10 Ca 0.01 0.70 -0.33 0.00 -0.06 0.00 0.00 57.16 57.48 1rwu n GLU 10 Cb 0.66 -5.52 -0.14 0.00 -0.06 0.00 0.00 31.44 26.37 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 -3.45 3.29 -0.29 4.31 5.36 0.19 -4.98 117.98 122.41 1rwu s PHE 11 Ca 0.28 -2.15 -0.29 0.00 -0.96 0.00 0.00 56.93 53.81 1rwu s PHE 11 Cb -0.13 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 1rwu s PHE 11 CO 0.79 -0.85 1.64 -1.25 -1.46 0.00 0.00 175.22 174.08 1rwu s PRO 12 N 1.16 3.60 0.03 10.12 0.04 -1.26 -4.03 135.00 144.66 1rwu s PRO 12 Ca -0.06 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.46 1rwu s PRO 12 Cb -0.20 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.24 1rwu s PRO 12 CO -0.03 -1.53 -0.10 -0.08 0.04 0.00 0.00 177.00 175.29 1rwu s THR 13 N 5.82 0.81 -0.06 1.26 -1.32 -0.84 -4.90 115.64 116.40 1rwu s THR 13 Ca 0.72 -0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 1rwu s THR 13 Cb -0.22 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.97 1rwu s THR 13 CO 0.31 -0.06 1.43 -2.16 -2.21 0.00 0.00 174.62 171.94 1rwu s PRO 14 N -0.99 4.25 -0.48 7.08 0.04 -1.26 -2.31 135.00 141.33 1rwu s PRO 14 Ca -0.01 1.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 1rwu s PRO 14 Cb -0.07 -3.73 0.12 0.00 0.04 0.00 0.00 34.50 30.87 1rwu s PRO 14 CO 0.01 -0.68 0.36 -0.06 0.04 0.00 0.00 177.00 176.67 1rwu s PHE 15 N 3.09 3.42 -0.68 0.56 0.08 0.20 -4.97 117.98 119.68 1rwu s PHE 15 Ca 0.64 -1.85 -0.26 0.00 0.12 0.00 0.00 56.93 55.57 1rwu s PHE 15 Cb -0.29 -3.52 -0.00 0.00 -0.57 0.00 0.00 43.02 38.63 1rwu s PHE 15 CO 0.24 -1.00 1.65 0.95 -0.10 0.00 0.00 175.22 176.97 1rwu s THR 16 N 1.35 3.50 0.26 0.64 -4.23 -1.26 -3.49 115.64 112.41 1rwu s THR 16 Ca 0.06 0.22 0.10 0.00 -1.18 0.00 0.00 61.69 60.88 1rwu s THR 16 Cb -0.26 -4.32 -0.04 0.00 1.34 0.00 0.00 72.50 69.22 1rwu s THR 16 CO -0.01 -1.27 -0.03 -0.31 -0.54 0.00 0.00 174.62 172.46 1rwu s TYR 17 N 7.85 2.65 -0.27 3.99 1.51 -0.96 -4.96 117.35 127.17 1rwu s TYR 17 Ca 0.56 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1rwu s TYR 17 Cb -0.10 -1.18 0.09 0.00 -0.11 0.00 0.00 41.96 40.66 1rwu s TYR 17 CO 0.17 0.62 0.11 0.15 -1.11 0.00 0.00 175.55 175.49 1rwu s LYS 18 N -3.59 0.36 -0.74 -0.62 1.02 -1.26 -0.01 119.74 114.91 1rwu s LYS 18 Ca 0.31 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.44 1rwu s LYS 18 Cb -0.06 -1.56 0.04 0.00 -0.52 0.00 0.00 37.83 35.72 1rwu s LYS 18 CO 0.19 -0.92 1.24 0.08 -0.92 0.00 0.00 175.35 175.02 1rwu s VAL 19 N 1.96 3.81 0.25 3.17 1.01 0.14 -0.76 120.40 129.98 1rwu s VAL 19 Ca 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1rwu s VAL 19 Cb -0.16 -4.89 -0.05 0.00 0.00 0.00 0.00 36.38 31.28 1rwu s VAL 19 CO -0.27 -1.81 0.47 -0.04 0.00 0.00 0.00 175.10 173.45 1rwu s MET 20 N 5.48 3.56 0.00 2.72 -1.94 0.21 -2.09 119.30 127.25 1rwu s MET 20 Ca 0.33 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.12 1rwu s MET 20 Cb -0.09 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1rwu s MET 20 CO 0.14 0.31 0.00 0.41 -0.01 0.00 0.00 175.02 175.86 1rwu n GLY 21 N -0.86 -0.34 3.84 -0.03 0.00 -0.67 -0.20 105.19 106.93 1rwu n GLY 21 Ca -0.03 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1rwu n GLY 21 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rwu s GLN 22 N -2.00 3.05 -0.89 1.61 -0.44 -0.91 -0.53 119.66 119.56 1rwu s GLN 22 Ca 0.00 0.82 -0.21 0.00 -2.50 0.00 0.00 55.36 53.47 1rwu s GLN 22 Cb 0.00 -2.01 0.09 0.00 -1.64 0.00 0.00 33.01 29.45 1rwu s GLN 22 CO 0.00 -0.98 1.19 0.00 0.50 0.00 0.00 175.29 176.00 1rwu s ALA 23 N -3.12 3.13 0.09 1.58 0.00 0.13 -4.21 121.76 119.35 1rwu s ALA 23 Ca 0.57 -2.41 0.07 0.00 0.00 0.00 0.00 51.96 50.19 1rwu s ALA 23 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 23.12 18.81 1rwu s ALA 23 CO 0.54 -3.12 -0.18 -0.48 0.00 0.00 0.00 175.76 172.53 1rwu s LEU 24 N 3.65 2.30 0.43 0.00 2.34 -1.26 -4.99 118.68 121.15 1rwu s LEU 24 Ca 0.34 -0.67 0.23 0.00 0.06 0.00 0.00 54.13 54.10 1rwu s LEU 24 Cb -0.06 -0.72 0.87 0.00 -0.56 0.00 0.00 46.19 45.73 1rwu s LEU 24 CO -0.05 -0.01 1.81 1.55 -1.06 0.00 0.00 176.35 178.59 1rwu h PRO 25 N 4.12 0.00 0.00 1.48 0.13 -2.03 -3.01 132.00 132.69 1rwu h PRO 25 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1rwu h PRO 25 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1rwu h PRO 25 CO 0.40 0.24 0.00 1.49 -0.23 0.00 0.00 178.00 179.91 1rwu h GLU 26 N 0.00 0.00 0.67 0.86 4.22 -1.97 -3.01 114.58 115.34 1rwu h GLU 26 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.40 1rwu h GLU 26 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1rwu h GLU 26 CO 0.03 0.00 -0.32 1.25 -2.18 0.00 0.00 179.01 177.79 1rwu h LEU 27 N 0.00 -0.76 -1.34 1.64 6.46 -1.81 -0.30 115.31 119.21 1rwu h LEU 27 Ca 0.00 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 1rwu h LEU 27 Cb 0.36 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1rwu h LEU 27 CO 0.00 -0.53 -0.21 1.62 -0.62 0.00 0.00 178.44 178.70 1rwu h VAL 28 N -0.92 1.21 0.31 1.05 3.04 -1.78 -1.22 116.25 117.93 1rwu h VAL 28 Ca -0.09 -0.95 -0.02 0.00 -1.01 0.00 0.00 66.70 64.64 1rwu h VAL 28 Cb 0.69 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1rwu h VAL 28 CO 0.15 0.29 -0.15 -0.78 -1.01 0.00 0.00 177.57 176.07 1rwu h ASP 29 N 0.16 -0.36 -0.01 3.17 3.58 -1.44 -2.45 116.42 119.08 1rwu h ASP 29 Ca 0.03 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.27 1rwu h ASP 29 Cb 0.48 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1rwu h ASP 29 CO 0.03 -0.12 -0.34 -0.61 -2.88 0.00 0.00 179.24 175.32 1rwu h GLN 30 N -0.59 0.49 -0.40 0.28 5.75 -0.98 -2.30 115.11 117.36 1rwu h GLN 30 Ca -0.04 -0.22 0.04 0.00 -0.15 0.00 0.00 58.65 58.28 1rwu h GLN 30 Cb 0.43 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1rwu h GLN 30 CO 0.07 0.77 0.18 0.28 -2.65 0.00 0.00 178.83 177.47 1rwu h VAL 31 N 0.41 0.93 -0.22 2.39 2.07 -1.14 0.34 116.25 121.04 1rwu h VAL 31 Ca 0.05 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 1rwu h VAL 31 Cb 0.80 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1rwu h VAL 31 CO 0.06 0.07 -0.54 0.58 0.02 0.00 0.00 177.57 177.76 1rwu h VAL 32 N 0.36 1.31 0.19 2.57 2.07 -1.36 -1.97 116.25 119.42 1rwu h VAL 32 Ca 0.18 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1rwu h VAL 32 Cb 0.12 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1rwu h VAL 32 CO -0.15 0.56 -0.09 -0.33 0.02 0.00 0.00 177.57 177.58 1rwu h GLU 33 N 0.50 -0.24 -0.25 1.57 3.07 -0.98 -1.85 114.58 116.39 1rwu h GLU 33 Ca 0.01 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1rwu h GLU 33 Cb 1.10 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1rwu h GLU 33 CO 0.11 0.16 0.01 -0.24 -1.40 0.00 0.00 179.01 177.65 1rwu h VAL 34 N -0.83 1.15 0.00 3.13 3.04 -0.43 -1.80 116.25 120.51 1rwu h VAL 34 Ca -0.03 -0.57 -0.17 0.00 -1.01 0.00 0.00 66.70 64.92 1rwu h VAL 34 Cb 0.52 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 1rwu h VAL 34 CO 0.04 0.19 -0.83 1.62 -1.01 0.00 0.00 177.57 177.59 1rwu h VAL 35 N 0.36 1.56 -0.05 1.51 3.04 -1.41 -3.00 116.25 118.25 1rwu h VAL 35 Ca 0.08 -2.87 -0.20 0.00 -1.01 0.00 0.00 66.70 62.71 1rwu h VAL 35 Cb 0.22 2.56 -0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1rwu h VAL 35 CO 0.00 0.81 -0.79 -0.61 -1.01 0.00 0.00 177.57 175.97 1rwu h GLN 36 N 0.00 0.40 0.00 4.17 4.15 -0.85 0.27 115.11 123.26 1rwu h GLN 36 Ca -0.01 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.00 1rwu h GLN 36 Cb 1.50 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.27 1rwu h GLN 36 CO 0.11 1.01 -0.24 0.00 -1.93 0.00 0.00 178.83 177.78 1rwu h ARG 37 N 0.26 0.00 0.00 1.69 3.08 -1.36 -3.34 114.38 114.71 1rwu h ARG 37 Ca -0.04 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.60 1rwu h ARG 37 Cb 1.39 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.38 1rwu h ARG 37 CO 0.14 0.24 -2.41 1.58 -1.07 0.00 0.00 179.97 178.45 1rwu n HIS 38 N -3.37 0.00 -4.00 3.04 -0.00 -1.14 -4.99 115.22 104.77 1rwu n HIS 38 Ca 0.00 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.89 1rwu n HIS 38 Cb 0.46 -0.92 -0.05 0.00 -0.12 0.00 0.00 29.99 29.35 1rwu n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1rwu s ALA 39 N -2.48 3.75 0.12 1.57 0.00 0.94 -5.02 121.76 120.65 1rwu s ALA 39 Ca -0.35 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 50.50 1rwu s ALA 39 Cb 0.12 -1.59 -0.07 0.00 0.00 0.00 0.00 23.12 21.58 1rwu s ALA 39 CO 0.49 0.73 1.44 -1.00 0.00 0.00 0.00 175.76 177.42 1rwu h PRO 40 N 3.00 0.82 -6.58 0.00 0.13 -1.81 -3.38 132.00 124.19 1rwu h PRO 40 Ca -0.46 -0.44 -0.52 0.00 -0.87 0.00 0.00 66.00 63.71 1rwu h PRO 40 Cb 1.17 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1rwu h PRO 40 CO 0.69 1.08 0.10 0.20 -0.23 0.00 0.00 178.00 179.84 1rwu s GLY 41 N -3.77 2.57 0.43 1.56 0.00 -1.26 -4.99 107.32 101.86 1rwu s GLY 41 Ca -0.12 0.14 -0.17 0.00 0.00 0.00 0.00 44.72 44.57 1rwu s GLY 41 CO 0.86 0.48 0.90 0.99 0.00 0.00 0.00 173.10 176.32 1rwu s ASP 42 N -1.73 6.75 0.08 1.64 1.11 -1.26 -4.64 116.67 118.63 1rwu s ASP 42 Ca 0.44 1.50 0.01 0.00 0.18 0.00 0.00 52.55 54.69 1rwu s ASP 42 Cb -0.16 -2.47 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 1rwu s ASP 42 CO 0.20 -0.41 -0.06 -0.31 1.18 0.00 0.00 175.17 175.78 1rwu s TYR 43 N -2.31 0.79 0.02 4.23 2.02 -1.26 -5.06 117.35 115.78 1rwu s TYR 43 Ca 0.58 -0.95 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 1rwu s TYR 43 Cb -0.10 -0.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.97 1rwu s TYR 43 CO 0.22 -0.21 0.05 0.99 -1.57 0.00 0.00 175.55 175.03 1rwu s THR 44 N -3.65 0.11 -0.10 -0.71 2.01 -1.26 -4.03 115.64 108.00 1rwu s THR 44 Ca 0.10 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1rwu s THR 44 Cb 0.06 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 1rwu s THR 44 CO -0.06 -0.51 0.28 -2.16 -0.69 0.00 0.00 174.62 171.48 1rwu s PRO 45 N -1.80 3.92 -0.45 4.92 0.04 -1.26 -2.82 135.00 137.55 1rwu s PRO 45 Ca -0.12 0.12 -0.19 0.00 0.04 0.00 0.00 61.00 60.85 1rwu s PRO 45 Cb -0.06 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.21 1rwu s PRO 45 CO -0.01 0.53 0.54 0.99 0.04 0.00 0.00 177.00 179.08 1rwu s THR 46 N -0.42 4.97 0.30 1.26 2.01 0.57 -4.74 115.64 119.60 1rwu s THR 46 Ca 0.18 -0.32 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 1rwu s THR 46 Cb -0.14 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.12 1rwu s THR 46 CO 0.07 -0.59 1.05 0.54 -0.69 0.00 0.00 174.62 175.00 1rwu s VAL 47 N 2.41 3.69 0.02 3.82 0.11 -1.26 -0.55 120.40 128.64 1rwu s VAL 47 Ca 0.15 1.59 -0.00 0.00 -2.93 0.00 0.00 61.98 60.78 1rwu s VAL 47 Cb -0.17 -3.97 -0.02 0.00 -1.53 0.00 0.00 36.38 30.69 1rwu s VAL 47 CO 0.14 0.29 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.64 1rwu s LYS 48 N -1.66 0.29 -0.65 1.54 1.02 -0.51 -4.91 119.74 114.85 1rwu s LYS 48 Ca 0.47 -0.56 -0.27 0.00 0.02 0.00 0.00 55.97 55.64 1rwu s LYS 48 Cb -0.28 0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.13 1rwu s LYS 48 CO 0.35 -0.05 1.68 -1.25 -0.92 0.00 0.00 175.35 175.16 1rwu s PRO 49 N -1.34 2.81 -0.20 -1.68 0.04 -1.26 -2.21 135.00 131.16 1rwu s PRO 49 Ca -0.15 0.35 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 1rwu s PRO 49 Cb -0.09 -4.32 -0.20 0.00 0.04 0.00 0.00 34.50 29.93 1rwu s PRO 49 CO -0.01 -2.54 0.23 0.66 0.04 0.00 0.00 177.00 175.38 1rwu h SER 50 N 13.39 0.04 0.00 6.66 4.64 -1.89 -3.47 113.55 132.92 1rwu h SER 50 Ca -0.27 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 1rwu h SER 50 Cb 1.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1rwu h SER 50 CO 1.24 1.52 0.00 -1.20 -0.87 0.00 0.00 176.83 177.52 1rwu n SER 51 N -4.35 0.83 -3.19 4.97 7.64 -1.26 -5.09 113.62 113.18 1rwu n SER 51 Ca -0.32 0.21 -0.17 0.00 1.01 0.00 0.00 58.87 59.59 1rwu n SER 51 Cb 0.71 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 1rwu n SER 51 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1rwu s LYS 52 N -1.97 1.91 0.36 1.43 2.20 -1.25 -5.02 119.74 117.41 1rwu s LYS 52 Ca 0.00 -1.91 0.10 0.00 -0.36 0.00 0.00 55.97 53.80 1rwu s LYS 52 Cb 0.00 0.40 0.70 0.00 -1.51 0.00 0.00 37.83 37.42 1rwu s LYS 52 CO 0.00 -0.76 1.84 0.78 -0.36 0.00 0.00 175.35 176.85 1rwu h GLY 53 N 2.08 0.18 1.56 5.54 0.00 -2.00 -2.84 103.07 107.60 1rwu h GLY 53 Ca -0.27 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1rwu h GLY 53 CO 0.37 0.12 -0.57 -0.57 0.00 0.00 0.00 176.54 175.90 1rwu h ASN 54 N 0.16 0.51 -3.39 0.19 -1.24 -1.96 -3.42 115.58 106.44 1rwu h ASN 54 Ca 0.03 -0.28 -0.63 0.00 0.71 0.00 0.00 56.30 56.13 1rwu h ASN 54 Cb 0.55 -0.15 -0.19 0.00 0.73 0.00 0.00 38.32 39.26 1rwu h ASN 54 CO 0.04 0.97 -0.60 -0.47 -1.29 0.00 0.00 177.43 176.08 1rwu s TYR 55 N -3.92 3.16 0.05 0.67 6.14 -1.07 0.19 117.35 122.57 1rwu s TYR 55 Ca -0.06 -0.12 0.07 0.00 0.64 0.00 0.00 57.07 57.60 1rwu s TYR 55 Cb 0.11 -2.10 -0.03 0.00 0.42 0.00 0.00 41.96 40.37 1rwu s TYR 55 CO 0.83 -0.01 -0.20 -1.01 0.64 0.00 0.00 175.55 175.79 1rwu s HIS 56 N 0.69 1.77 -0.30 4.97 3.76 0.31 -3.85 115.29 122.64 1rwu s HIS 56 Ca 0.02 -0.38 0.03 0.00 -0.15 0.00 0.00 55.06 54.58 1rwu s HIS 56 Cb -0.13 -1.05 0.08 0.00 1.11 0.00 0.00 32.58 32.58 1rwu s HIS 56 CO 0.02 0.09 -0.03 0.45 -0.85 0.00 0.00 174.74 174.42 1rwu s SER 57 N -1.22 4.64 0.01 1.40 0.15 -0.94 -1.66 113.70 116.07 1rwu s SER 57 Ca 0.07 -1.68 -0.00 0.00 0.70 0.00 0.00 55.95 55.04 1rwu s SER 57 Cb -0.09 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.58 1rwu s SER 57 CO 0.02 -0.28 0.11 0.68 1.20 0.00 0.00 173.24 174.97 1rwu s VAL 58 N 1.05 4.90 -0.37 4.45 -7.23 -0.89 -1.43 120.40 120.88 1rwu s VAL 58 Ca -0.01 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 1rwu s VAL 58 Cb -0.20 -3.28 0.02 0.00 0.56 0.00 0.00 36.38 33.49 1rwu s VAL 58 CO -0.06 0.31 0.21 -0.94 -0.31 0.00 0.00 175.10 174.31 1rwu s SER 59 N -1.91 5.77 -0.15 4.85 1.04 0.29 0.27 113.70 123.86 1rwu s SER 59 Ca 0.25 -0.94 -0.17 0.00 0.48 0.00 0.00 55.95 55.57 1rwu s SER 59 Cb -0.12 -2.04 -0.04 0.00 0.10 0.00 0.00 66.02 63.92 1rwu s SER 59 CO 0.17 -0.38 0.43 -0.51 0.98 0.00 0.00 173.24 173.93 1rwu s ILE 60 N 1.57 5.20 -0.20 -1.02 2.07 0.99 -0.32 121.20 129.49 1rwu s ILE 60 Ca 0.03 0.83 -0.13 0.00 -1.41 0.00 0.00 60.65 59.96 1rwu s ILE 60 Cb -0.19 -3.77 -0.05 0.00 0.13 0.00 0.00 42.46 38.59 1rwu s ILE 60 CO 0.07 0.30 0.27 -0.89 -1.91 0.00 0.00 174.94 172.78 1rwu s THR 61 N 0.86 5.30 -0.17 4.00 2.01 -1.13 -2.26 115.64 124.26 1rwu s THR 61 Ca 0.23 0.45 -0.18 0.00 0.31 0.00 0.00 61.69 62.49 1rwu s THR 61 Cb -0.15 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.81 1rwu s THR 61 CO 0.08 0.33 0.50 -0.51 -0.69 0.00 0.00 174.62 174.33 1rwu s ILE 62 N 0.93 0.00 -0.34 1.82 2.07 -1.23 -4.11 121.20 120.34 1rwu s ILE 62 Ca 0.14 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.36 1rwu s ILE 62 Cb -0.14 -0.71 0.09 0.00 0.13 0.00 0.00 42.46 41.84 1rwu s ILE 62 CO 0.05 -0.02 0.06 0.21 -1.91 0.00 0.00 174.94 173.34 1rwu s ASN 63 N 0.11 4.88 -0.05 4.50 2.47 -1.26 0.62 114.94 126.20 1rwu s ASN 63 Ca -0.01 -1.88 0.01 0.00 0.42 0.00 0.00 52.86 51.40 1rwu s ASN 63 Cb -0.03 -1.69 -0.03 0.00 -1.45 0.00 0.00 41.25 38.05 1rwu s ASN 63 CO 0.01 -0.38 -0.05 0.00 -3.72 0.00 0.00 177.10 172.96 1rwu s ALA 64 N 1.05 3.05 -1.48 1.71 0.00 -0.98 -4.77 121.76 120.35 1rwu s ALA 64 Ca 0.05 -0.90 0.22 0.00 0.00 0.00 0.00 51.96 51.32 1rwu s ALA 64 Cb -0.20 -1.25 1.11 0.00 0.00 0.00 0.00 23.12 22.78 1rwu s ALA 64 CO -0.05 0.59 1.70 0.25 0.00 0.00 0.00 175.76 178.24 1rwu n THR 65 N 2.04 0.30 -4.34 0.00 -2.24 -1.26 -1.99 114.28 106.80 1rwu n THR 65 Ca -0.17 0.07 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 1rwu n THR 65 Cb 0.53 -0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.52 1.27 0.37 4.78 5.65 -1.26 0.56 115.29 124.14 1rwu s HIS 66 Ca 0.22 -0.37 0.13 0.00 0.25 0.00 0.00 55.06 55.28 1rwu s HIS 66 Cb 0.15 -0.75 0.70 0.00 -1.18 0.00 0.00 32.58 31.50 1rwu s HIS 66 CO 0.32 0.05 1.82 0.97 -0.65 0.00 0.00 174.74 177.25 1rwu h ILE 67 N 4.45 1.28 0.00 0.89 6.09 -1.89 -2.74 117.51 125.58 1rwu h ILE 67 Ca -0.39 -1.31 0.00 0.00 -1.37 0.00 0.00 64.86 61.79 1rwu h ILE 67 Cb 1.18 1.71 0.00 0.00 0.47 0.00 0.00 36.82 40.18 1rwu h ILE 67 CO 0.43 0.37 -0.53 1.21 -3.07 0.00 0.00 178.15 176.57 1rwu n GLU 68 N -4.09 0.10 -0.10 2.19 4.07 -1.26 -4.03 120.64 117.53 1rwu n GLU 68 Ca -0.02 0.03 -0.09 0.00 -0.06 0.00 0.00 57.16 57.01 1rwu n GLU 68 Cb 0.41 -1.56 -0.02 0.00 -0.06 0.00 0.00 31.44 30.22 1rwu n GLU 68 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1rwu h GLN 69 N 0.00 0.44 0.00 5.31 4.15 -1.70 0.38 115.11 123.69 1rwu h GLN 69 Ca 0.00 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 1rwu h GLN 69 Cb 0.58 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1rwu h GLN 69 CO 0.00 0.37 -0.47 -0.24 -1.93 0.00 0.00 178.83 176.56 1rwu h VAL 70 N 0.39 1.23 0.00 2.39 3.04 -1.71 -1.96 116.25 119.63 1rwu h VAL 70 Ca 0.11 -1.66 -0.00 0.00 -1.01 0.00 0.00 66.70 64.14 1rwu h VAL 70 Cb 0.06 1.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1rwu h VAL 70 CO -0.02 0.46 -0.00 -0.08 -1.01 0.00 0.00 177.57 176.92 1rwu h GLU 71 N 0.00 -0.00 -0.83 4.17 4.81 -1.56 -1.89 114.58 119.29 1rwu h GLU 71 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1rwu h GLU 71 Cb 0.88 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 1rwu h GLU 71 CO 0.06 0.49 0.44 1.79 -0.73 0.00 0.00 179.01 181.06 1rwu h THR 72 N -0.50 1.25 -0.74 0.32 1.35 -0.92 -1.96 112.91 111.70 1rwu h THR 72 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1rwu h THR 72 Cb 0.50 0.16 -0.04 0.00 -1.73 0.00 0.00 68.15 67.04 1rwu h THR 72 CO 0.00 0.28 0.47 -0.07 -0.25 0.00 0.00 175.52 175.95 1rwu h LEU 73 N 1.15 0.87 -0.41 3.87 4.07 -1.34 -1.59 115.31 121.94 1rwu h LEU 73 Ca 0.29 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.19 1rwu h LEU 73 Cb 0.05 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1rwu h LEU 73 CO -0.04 0.66 0.17 0.22 -1.08 0.00 0.00 178.44 178.37 1rwu h TYR 74 N 1.02 0.61 -0.56 1.13 3.20 -0.60 -1.31 116.97 120.47 1rwu h TYR 74 Ca 0.27 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1rwu h TYR 74 Cb -0.07 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1rwu h TYR 74 CO 0.00 0.53 0.29 0.93 -1.64 0.00 0.00 178.16 178.27 1rwu h GLU 75 N 0.52 0.78 -0.05 1.82 3.07 -0.90 0.37 114.58 120.19 1rwu h GLU 75 Ca 0.14 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1rwu h GLU 75 Cb 0.17 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1rwu h GLU 75 CO -0.01 0.59 -0.01 0.93 -1.40 0.00 0.00 179.01 179.11 1rwu h GLU 76 N 0.79 0.10 0.00 2.33 3.07 -0.85 -1.49 114.58 118.53 1rwu h GLU 76 Ca 0.20 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 1rwu h GLU 76 Cb 0.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1rwu h GLU 76 CO -0.03 0.44 -0.46 1.37 -1.40 0.00 0.00 179.01 178.94 1rwu h LEU 77 N -0.26 0.00 -3.88 1.33 8.10 -1.00 -3.14 115.31 116.46 1rwu h LEU 77 Ca 0.01 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.40 1rwu h LEU 77 Cb 0.41 0.00 -0.33 0.00 -0.44 0.00 0.00 40.66 40.30 1rwu h LEU 77 CO 0.01 0.46 0.25 0.61 -4.11 0.00 0.00 178.44 175.65 1rwu n GLY 78 N 0.29 5.94 0.73 0.17 0.00 0.13 -4.57 105.19 107.88 1rwu n GLY 78 Ca -0.00 -2.31 0.11 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.87 1.96 -1.89 1.61 4.81 -0.57 -4.81 118.16 118.40 1rwu n LYS 79 Ca 0.55 -1.45 -0.33 0.00 -0.87 0.00 0.00 58.31 56.21 1rwu n LYS 79 Cb 0.83 -1.43 0.03 0.00 0.02 0.00 0.00 35.03 34.48 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 -1.74 3.55 -0.31 3.15 1.09 -1.26 -4.91 121.20 120.77 1rwu s ILE 80 Ca 0.34 0.72 0.26 0.00 -1.10 0.00 0.00 60.65 60.87 1rwu s ILE 80 Cb 0.19 -3.25 0.28 0.00 -1.06 0.00 0.00 42.46 38.62 1rwu s ILE 80 CO 0.28 -0.45 1.77 -0.78 -0.10 0.00 0.00 174.94 175.67 1rwu h ASP 81 N 0.20 0.00 -3.96 3.58 3.58 -2.01 -3.45 116.42 114.36 1rwu h ASP 81 Ca -0.47 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 56.53 1rwu h ASP 81 Cb 1.23 0.00 0.15 0.00 1.72 0.00 0.00 39.33 42.43 1rwu h ASP 81 CO 0.56 0.00 0.22 -0.63 -2.88 0.00 0.00 179.24 176.51 1rwu s ILE 82 N -3.43 1.99 -0.12 2.25 -1.09 -1.26 -4.90 121.20 114.65 1rwu s ILE 82 Ca 0.03 0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.16 1rwu s ILE 82 Cb 0.09 -2.57 -0.06 0.00 -1.58 0.00 0.00 42.46 38.34 1rwu s ILE 82 CO 0.40 0.00 1.98 -0.69 -1.23 0.00 0.00 174.94 175.40 1rwu s VAL 83 N -3.06 3.17 -0.01 2.92 1.01 -1.26 -4.96 120.40 118.21 1rwu s VAL 83 Ca 0.65 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.91 1rwu s VAL 83 Cb -0.17 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1rwu s VAL 83 CO 0.56 -0.07 -0.25 0.00 0.00 0.00 0.00 175.10 175.35 1rwu s ARG 84 N 5.23 1.94 0.03 2.72 1.04 -1.26 -2.13 118.95 126.52 1rwu s ARG 84 Ca 0.89 -0.91 -0.26 0.00 -1.04 0.00 0.00 55.73 54.42 1rwu s ARG 84 Cb -0.35 -1.91 0.06 0.00 -2.04 0.00 0.00 34.95 30.72 1rwu s ARG 84 CO 0.36 0.52 0.60 -1.64 -0.04 0.00 0.00 175.30 175.10 1rwu s MET 85 N -0.68 1.10 0.05 3.89 -1.94 0.72 -4.95 119.30 117.48 1rwu s MET 85 Ca 0.10 -0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 53.94 1rwu s MET 85 Cb -0.09 0.51 -0.02 0.00 2.01 0.00 0.00 34.83 37.23 1rwu s MET 85 CO -0.00 -0.40 0.05 0.54 -0.01 0.00 0.00 175.02 175.20 1rwu s VAL 86 N -2.24 0.17 -2.99 -6.03 0.11 -1.26 0.66 120.40 108.81 1rwu s VAL 86 Ca -0.06 -1.38 0.24 0.00 -2.93 0.00 0.00 61.98 57.85 1rwu s VAL 86 Cb -0.01 -1.17 0.19 0.00 -1.53 0.00 0.00 36.38 33.86 1rwu s VAL 86 CO 0.00 -0.76 1.26 -0.11 -3.33 0.00 0.00 175.10 172.16