#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 4.21 0.09 2.12 3.00 -1.26 -4.12 118.16 122.21 1rwu n LYS 2 Ca 0.00 -3.38 0.00 0.00 -0.00 0.00 0.00 58.31 54.93 1rwu n LYS 2 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.29 1rwu n LYS 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1rwu n THR 3 N 2.39 0.14 -2.69 3.15 -2.24 -1.26 -4.87 114.28 108.90 1rwu n THR 3 Ca 0.57 0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 62.32 1rwu n THR 3 Cb 0.28 -0.68 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 1rwu n THR 3 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1rwu n LYS 4 N -3.18 1.21 -4.10 -0.78 3.00 -1.26 -4.76 118.16 108.28 1rwu n LYS 4 Ca 0.00 -2.42 -0.22 0.00 -0.00 0.00 0.00 58.31 55.67 1rwu n LYS 4 Cb 0.03 -0.55 -0.05 0.00 0.00 0.00 0.00 35.03 34.46 1rwu n LYS 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1rwu s LEU 5 N -3.25 3.51 -0.05 3.14 2.01 -1.26 -5.05 118.68 117.74 1rwu s LEU 5 Ca 0.23 -0.50 0.01 0.00 0.01 0.00 0.00 54.13 53.89 1rwu s LEU 5 Cb 0.42 -2.04 0.02 0.00 0.01 0.00 0.00 46.19 44.60 1rwu s LEU 5 CO -0.04 -0.14 -0.05 0.20 1.01 0.00 0.00 176.35 177.33 1rwu s ASN 6 N -3.83 1.03 -1.06 2.29 -0.87 -1.26 -4.40 114.94 106.85 1rwu s ASN 6 Ca 0.35 -0.14 -0.15 0.00 -1.57 0.00 0.00 52.86 51.35 1rwu s ASN 6 Cb -0.06 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.25 40.67 1rwu s ASN 6 CO 0.23 -0.05 0.79 -0.62 -2.57 0.00 0.00 177.10 174.89 1rwu n GLU 7 N 4.04 -1.41 0.00 -0.60 4.71 -1.26 -4.89 120.64 121.23 1rwu n GLU 7 Ca -0.24 0.66 0.00 0.00 -0.01 0.00 0.00 57.16 57.56 1rwu n GLU 7 Cb 0.51 -4.44 0.00 0.00 -1.01 0.00 0.00 31.44 26.50 1rwu n GLU 7 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1rwu n LEU 8 N -3.65 0.00 -0.09 -4.62 7.94 -1.26 -4.97 117.00 110.34 1rwu n LEU 8 Ca -0.09 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.65 1rwu n LEU 8 Cb 0.59 0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.50 1rwu n LEU 8 CO 0.64 -0.15 -0.37 -0.07 -1.11 0.00 0.00 177.39 176.33 1rwu h LEU 9 N 0.00 0.00 1.85 -1.96 4.07 -1.90 -3.48 115.31 113.89 1rwu h LEU 9 Ca 0.00 -0.39 -0.38 0.00 0.08 0.00 0.00 57.88 57.20 1rwu h LEU 9 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1rwu h LEU 9 CO 0.00 1.20 -0.52 -0.62 -1.08 0.00 0.00 178.44 177.41 1rwu n GLU 10 N -4.52 -3.20 -3.89 1.13 4.71 -1.24 -4.96 120.64 108.67 1rwu n GLU 10 Ca -0.22 0.82 -0.35 0.00 -0.01 0.00 0.00 57.16 57.40 1rwu n GLU 10 Cb 0.51 -5.56 -0.14 0.00 -1.01 0.00 0.00 31.44 25.25 1rwu n GLU 10 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1rwu s PHE 11 N -3.00 3.00 -0.39 -0.32 5.36 -0.59 -4.98 117.98 117.07 1rwu s PHE 11 Ca 0.17 -1.00 -0.28 0.00 -0.96 0.00 0.00 56.93 54.85 1rwu s PHE 11 Cb -0.08 -2.12 -0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1rwu s PHE 11 CO 0.21 -0.57 1.73 -1.25 -1.46 0.00 0.00 175.22 173.88 1rwu s PRO 12 N 1.47 3.28 0.02 10.12 0.04 -1.26 -4.02 135.00 144.65 1rwu s PRO 12 Ca 0.05 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.34 1rwu s PRO 12 Cb -0.15 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.18 1rwu s PRO 12 CO -0.03 -1.93 -0.14 -0.08 0.04 0.00 0.00 177.00 174.87 1rwu s THR 13 N 6.91 1.13 0.03 1.26 -1.32 -0.93 -4.89 115.64 117.84 1rwu s THR 13 Ca 0.74 -0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 60.04 1rwu s THR 13 Cb -0.19 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.75 1rwu s THR 13 CO 0.32 0.11 1.33 -2.16 -2.21 0.00 0.00 174.62 172.01 1rwu s PRO 14 N -0.87 4.33 -0.46 7.08 0.04 -1.26 -2.00 135.00 141.86 1rwu s PRO 14 Ca 0.03 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1rwu s PRO 14 Cb -0.07 -3.45 0.12 0.00 0.04 0.00 0.00 34.50 31.14 1rwu s PRO 14 CO 0.01 -0.46 0.32 -0.06 0.04 0.00 0.00 177.00 176.84 1rwu s PHE 15 N 1.82 3.47 -0.87 0.56 0.08 0.14 -4.91 117.98 118.27 1rwu s PHE 15 Ca 0.62 -2.04 -0.25 0.00 0.12 0.00 0.00 56.93 55.39 1rwu s PHE 15 Cb -0.31 -3.43 -0.00 0.00 -0.57 0.00 0.00 43.02 38.70 1rwu s PHE 15 CO 0.27 -0.99 1.70 0.99 -0.10 0.00 0.00 175.22 177.09 1rwu s THR 16 N 1.26 3.61 -0.41 0.64 2.01 -1.26 -2.78 115.64 118.71 1rwu s THR 16 Ca 0.07 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1rwu s THR 16 Cb -0.25 -4.43 0.06 0.00 0.01 0.00 0.00 72.50 67.89 1rwu s THR 16 CO -0.02 -1.36 0.26 -0.31 -0.69 0.00 0.00 174.62 172.50 1rwu s TYR 17 N 7.81 3.29 -0.94 4.92 1.51 -0.98 -4.84 117.35 128.12 1rwu s TYR 17 Ca 0.58 -1.26 -0.24 0.00 -1.01 0.00 0.00 57.07 55.14 1rwu s TYR 17 Cb -0.06 -2.80 0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1rwu s TYR 17 CO 0.02 -0.78 1.44 0.21 -1.11 0.00 0.00 175.55 175.34 1rwu s LYS 18 N 1.50 3.43 -0.84 -0.62 2.36 -1.26 -1.18 119.74 123.13 1rwu s LYS 18 Ca 0.03 -0.84 -0.25 0.00 -2.55 0.00 0.00 55.97 52.35 1rwu s LYS 18 Cb -0.22 -5.05 0.03 0.00 -1.05 0.00 0.00 37.83 31.54 1rwu s LYS 18 CO 0.04 -2.27 1.40 0.08 1.55 0.00 0.00 175.35 176.15 1rwu s VAL 19 N 5.50 3.76 0.07 4.02 1.01 0.36 -0.61 120.40 134.52 1rwu s VAL 19 Ca 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1rwu s VAL 19 Cb -0.02 -4.88 -0.05 0.00 0.00 0.00 0.00 36.38 31.43 1rwu s VAL 19 CO -0.03 -1.80 0.27 -0.32 0.00 0.00 0.00 175.10 173.22 1rwu s MET 20 N 5.60 3.52 0.00 2.72 1.75 0.92 -1.54 119.30 132.27 1rwu s MET 20 Ca 0.42 -0.25 0.00 0.00 -1.25 0.00 0.00 55.69 54.61 1rwu s MET 20 Cb -0.05 -2.99 0.00 0.00 2.84 0.00 0.00 34.83 34.63 1rwu s MET 20 CO 0.06 0.57 0.00 0.41 -0.65 0.00 0.00 175.02 175.41 1rwu n GLY 21 N 0.42 -0.58 3.75 2.11 0.00 -0.90 -0.98 105.19 109.01 1rwu n GLY 21 Ca -0.06 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.32 4.61 -0.19 1.61 2.00 -0.87 -1.43 119.66 124.07 1rwu s GLN 22 Ca 0.00 1.82 -0.29 0.00 -2.00 0.00 0.00 55.36 54.89 1rwu s GLN 22 Cb 0.00 -3.20 -0.03 0.00 0.80 0.00 0.00 33.01 30.58 1rwu s GLN 22 CO 0.00 0.15 1.68 0.00 -0.50 0.00 0.00 175.29 176.61 1rwu s ALA 23 N -0.92 3.28 0.07 1.58 0.00 0.18 -4.64 121.76 121.32 1rwu s ALA 23 Ca 0.46 0.57 0.04 0.00 0.00 0.00 0.00 51.96 53.04 1rwu s ALA 23 Cb -0.32 -3.86 -0.03 0.00 0.00 0.00 0.00 23.12 18.91 1rwu s ALA 23 CO 0.40 -1.94 -0.13 -0.51 0.00 0.00 0.00 175.76 173.58 1rwu s LEU 24 N 5.28 2.30 0.39 0.00 1.43 -1.26 -4.95 118.68 121.87 1rwu s LEU 24 Ca 0.74 -0.64 0.21 0.00 -1.03 0.00 0.00 54.13 53.41 1rwu s LEU 24 Cb -0.27 -0.43 0.70 0.00 0.03 0.00 0.00 46.19 46.23 1rwu s LEU 24 CO 0.30 -0.13 1.74 1.55 0.23 0.00 0.00 176.35 180.04 1rwu h PRO 25 N 4.20 0.00 0.00 1.29 0.13 -2.04 -3.03 132.00 132.55 1rwu h PRO 25 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.42 0.32 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 1rwu n GLU 26 N -3.42 0.26 0.53 0.86 -0.00 -1.26 -4.05 120.64 113.56 1rwu n GLU 26 Ca 0.00 0.02 -0.21 0.00 -0.00 0.00 0.00 57.16 56.97 1rwu n GLU 26 Cb 0.50 -1.50 -0.10 0.00 -0.00 0.00 0.00 31.44 30.34 1rwu n GLU 26 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1rwu h LEU 27 N 0.00 -1.16 -1.58 -1.84 4.07 -1.84 0.16 115.31 113.12 1rwu h LEU 27 Ca 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1rwu h LEU 27 Cb 0.35 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1rwu h LEU 27 CO 0.00 -0.82 -0.08 1.62 -1.08 0.00 0.00 178.44 178.08 1rwu h VAL 28 N -1.36 1.13 0.38 1.22 3.04 -1.80 0.32 116.25 119.18 1rwu h VAL 28 Ca -0.14 -0.55 -0.02 0.00 -1.01 0.00 0.00 66.70 64.98 1rwu h VAL 28 Cb 1.04 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1rwu h VAL 28 CO 0.22 0.17 -0.18 -0.78 -1.01 0.00 0.00 177.57 175.99 1rwu h ASP 29 N 0.16 -0.43 -0.67 3.17 3.58 -1.64 -2.38 116.42 118.20 1rwu h ASP 29 Ca 0.04 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 1rwu h ASP 29 Cb 0.25 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1rwu h ASP 29 CO 0.01 -0.03 0.26 -0.61 -2.88 0.00 0.00 179.24 175.99 1rwu h GLN 30 N -0.93 1.04 -0.00 0.28 5.75 -0.58 -2.22 115.11 118.45 1rwu h GLN 30 Ca -0.05 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1rwu h GLN 30 Cb 0.54 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1rwu h GLN 30 CO 0.09 0.86 -0.14 0.28 -2.65 0.00 0.00 178.83 177.27 1rwu h VAL 31 N 1.01 0.66 -0.71 2.39 2.07 -0.95 0.27 116.25 121.00 1rwu h VAL 31 Ca 0.23 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.70 1rwu h VAL 31 Cb 0.22 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1rwu h VAL 31 CO -0.02 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.40 1rwu h VAL 32 N -0.23 1.25 0.03 2.57 2.07 -1.26 0.10 116.25 120.78 1rwu h VAL 32 Ca 0.05 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1rwu h VAL 32 Cb 0.29 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1rwu h VAL 32 CO -0.14 0.33 -0.02 -0.33 0.02 0.00 0.00 177.57 177.44 1rwu h GLU 33 N 1.03 -0.05 0.00 1.57 3.07 -1.09 -1.69 114.58 117.43 1rwu h GLU 33 Ca 0.23 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 1rwu h GLU 33 Cb 0.26 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1rwu h GLU 33 CO -0.01 0.48 -0.37 -0.24 -1.40 0.00 0.00 179.01 177.47 1rwu h VAL 34 N -0.60 1.07 0.00 3.13 3.04 -0.48 -2.43 116.25 119.97 1rwu h VAL 34 Ca -0.00 -1.35 -0.17 0.00 -1.01 0.00 0.00 66.70 64.17 1rwu h VAL 34 Cb 0.55 1.77 -0.03 0.00 -2.01 0.00 0.00 31.29 31.57 1rwu h VAL 34 CO 0.01 0.36 -0.96 1.62 -1.01 0.00 0.00 177.57 177.59 1rwu h VAL 35 N 0.00 1.02 0.18 1.51 3.04 -1.01 -3.23 116.25 117.76 1rwu h VAL 35 Ca -0.00 -2.55 -0.32 0.00 -1.01 0.00 0.00 66.70 62.82 1rwu h VAL 35 Cb 0.74 2.46 0.03 0.00 -2.01 0.00 0.00 31.29 32.51 1rwu h VAL 35 CO 0.05 0.58 -1.36 -0.61 -1.01 0.00 0.00 177.57 175.22 1rwu h GLN 36 N 0.00 0.58 0.00 4.17 4.15 -1.17 0.49 115.11 123.33 1rwu h GLN 36 Ca -0.07 -0.87 -0.00 0.00 0.77 0.00 0.00 58.65 58.49 1rwu h GLN 36 Cb 1.60 0.30 -0.00 0.00 0.21 0.00 0.00 27.48 29.59 1rwu h GLN 36 CO 0.08 1.40 -0.00 0.07 -1.93 0.00 0.00 178.83 178.45 1rwu h ARG 37 N 0.21 0.00 0.00 1.69 0.11 -1.56 -3.32 114.38 111.50 1rwu h ARG 37 Ca -0.22 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.56 1rwu h ARG 37 Cb 2.04 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 33.07 1rwu h ARG 37 CO 0.26 0.00 -2.06 0.72 0.10 0.00 0.00 179.97 178.99 1rwu n HIS 38 N -3.10 0.00 -4.01 4.08 8.25 -1.22 -5.01 115.22 114.22 1rwu n HIS 38 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.16 1rwu n HIS 38 Cb 0.29 -0.69 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.36 3.71 0.31 -1.41 0.00 0.16 -4.92 121.76 117.25 1rwu s ALA 39 Ca -0.26 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1rwu s ALA 39 Cb 0.09 -1.57 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 1rwu s ALA 39 CO 0.37 0.77 1.18 -1.25 0.00 0.00 0.00 175.76 176.83 1rwu s PRO 40 N -2.40 4.48 0.00 0.00 0.04 -1.26 -4.25 135.00 131.61 1rwu s PRO 40 Ca 0.31 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.30 1rwu s PRO 40 Cb -0.12 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1rwu s PRO 40 CO 0.24 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1rwu n GLY 41 N 0.99 -1.31 3.87 0.56 0.00 -1.26 -4.91 105.19 103.13 1rwu n GLY 41 Ca -0.00 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1rwu n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rwu s ASP 42 N -3.49 6.22 0.25 1.61 -1.08 -1.26 -4.44 116.67 114.48 1rwu s ASP 42 Ca 0.00 0.33 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 1rwu s ASP 42 Cb 0.00 -1.93 -0.05 0.00 -1.46 0.00 0.00 42.92 39.47 1rwu s ASP 42 CO 0.00 0.30 -0.02 -0.31 0.52 0.00 0.00 175.17 175.65 1rwu s TYR 43 N -1.23 1.71 0.05 -5.34 2.02 -1.26 -5.05 117.35 108.24 1rwu s TYR 43 Ca 0.24 -0.84 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 1rwu s TYR 43 Cb -0.12 -0.99 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 1rwu s TYR 43 CO 0.15 0.08 0.05 0.99 -1.57 0.00 0.00 175.55 175.25 1rwu s THR 44 N -3.27 0.16 -0.14 -0.71 2.01 -1.26 -4.20 115.64 108.23 1rwu s THR 44 Ca 0.29 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 1rwu s THR 44 Cb 0.05 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1rwu s THR 44 CO 0.10 -0.73 0.28 -2.16 -0.69 0.00 0.00 174.62 171.42 1rwu s PRO 45 N -3.10 4.10 -0.83 4.92 0.04 -1.26 -2.72 135.00 136.15 1rwu s PRO 45 Ca -0.01 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.95 1rwu s PRO 45 Cb 0.02 -3.37 0.15 0.00 0.04 0.00 0.00 34.50 31.35 1rwu s PRO 45 CO -0.07 0.38 0.93 0.99 0.04 0.00 0.00 177.00 179.27 1rwu s THR 46 N 0.05 5.03 0.28 1.26 2.01 0.38 -4.67 115.64 119.98 1rwu s THR 46 Ca 0.17 -1.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.14 1rwu s THR 46 Cb -0.13 -4.62 -0.09 0.00 0.01 0.00 0.00 72.50 67.66 1rwu s THR 46 CO 0.05 -1.28 1.03 0.54 -0.69 0.00 0.00 174.62 174.27 1rwu s VAL 47 N 1.89 3.73 0.04 3.82 0.11 -1.26 -1.63 120.40 127.10 1rwu s VAL 47 Ca 0.24 1.70 -0.04 0.00 -2.93 0.00 0.00 61.98 60.95 1rwu s VAL 47 Cb -0.10 -4.06 -0.02 0.00 -1.53 0.00 0.00 36.38 30.67 1rwu s VAL 47 CO -0.06 0.37 0.05 -1.59 -3.33 0.00 0.00 175.10 170.54 1rwu s LYS 48 N -1.47 0.54 -0.64 1.54 -2.85 0.25 -4.93 119.74 112.17 1rwu s LYS 48 Ca 0.45 -0.81 -0.26 0.00 -1.00 0.00 0.00 55.97 54.34 1rwu s LYS 48 Cb -0.29 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.67 1rwu s LYS 48 CO 0.36 -0.12 1.78 -1.25 0.10 0.00 0.00 175.35 176.22 1rwu s PRO 49 N -2.64 2.71 -0.18 1.78 0.04 -1.26 -2.21 135.00 133.24 1rwu s PRO 49 Ca -0.05 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.26 1rwu s PRO 49 Cb -0.01 -4.39 -0.21 0.00 0.04 0.00 0.00 34.50 29.93 1rwu s PRO 49 CO -0.05 -2.67 0.26 0.66 0.04 0.00 0.00 177.00 175.24 1rwu h SER 50 N 14.09 0.12 0.00 6.66 4.64 -1.92 -3.46 113.55 133.68 1rwu h SER 50 Ca -0.25 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 1rwu h SER 50 Cb 1.14 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1rwu h SER 50 CO 1.23 1.60 -0.60 -0.24 -0.87 0.00 0.00 176.83 177.95 1rwu n SER 51 N -4.17 0.21 -3.33 4.97 2.88 -1.25 -5.09 113.62 107.84 1rwu n SER 51 Ca -0.32 0.05 -0.12 0.00 -1.33 0.00 0.00 58.87 57.15 1rwu n SER 51 Cb 0.79 -0.04 -0.03 0.00 -0.75 0.00 0.00 64.21 64.17 1rwu n SER 51 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1rwu s LYS 52 N -2.00 1.90 0.46 -1.46 1.02 -1.21 -4.99 119.74 113.47 1rwu s LYS 52 Ca 0.00 -1.59 0.18 0.00 0.02 0.00 0.00 55.97 54.58 1rwu s LYS 52 Cb 0.00 0.49 1.11 0.00 -0.52 0.00 0.00 37.83 38.90 1rwu s LYS 52 CO 0.00 -0.81 2.00 0.78 -0.92 0.00 0.00 175.35 176.39 1rwu h GLY 53 N 2.12 0.00 2.00 -3.33 0.00 -2.00 -2.26 103.07 99.60 1rwu h GLY 53 Ca -0.29 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 1rwu h GLY 53 CO 0.38 0.00 -0.81 -0.57 0.00 0.00 0.00 176.54 175.55 1rwu h ASN 54 N 0.00 0.00 -3.48 0.19 -0.73 -1.95 -3.43 115.58 106.18 1rwu h ASN 54 Ca -0.00 0.00 -0.66 0.00 1.87 0.00 0.00 56.30 57.50 1rwu h ASN 54 Cb 0.36 0.00 -0.28 0.00 0.27 0.00 0.00 38.32 38.68 1rwu h ASN 54 CO 0.02 0.81 -0.70 -0.47 -0.37 0.00 0.00 177.43 176.72 1rwu s TYR 55 N -2.90 3.02 0.06 0.67 5.04 -0.85 0.50 117.35 122.90 1rwu s TYR 55 Ca 0.01 -1.02 0.05 0.00 -2.44 0.00 0.00 57.07 53.68 1rwu s TYR 55 Cb 0.10 -2.14 -0.03 0.00 0.35 0.00 0.00 41.96 40.24 1rwu s TYR 55 CO 0.79 -0.57 -0.14 -1.01 -1.34 0.00 0.00 175.55 173.27 1rwu s HIS 56 N 1.47 1.25 -0.16 4.97 3.76 -0.51 -3.35 115.29 122.71 1rwu s HIS 56 Ca 0.04 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.52 1rwu s HIS 56 Cb -0.15 -0.72 -0.01 0.00 1.11 0.00 0.00 32.58 32.81 1rwu s HIS 56 CO -0.02 0.05 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.29 1rwu s SER 57 N -1.48 4.11 -0.02 1.40 1.04 -0.94 -2.12 113.70 115.70 1rwu s SER 57 Ca -0.00 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1rwu s SER 57 Cb -0.09 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.35 1rwu s SER 57 CO 0.02 0.10 -0.19 0.68 0.98 0.00 0.00 173.24 174.82 1rwu s VAL 58 N 0.77 2.66 -0.43 5.02 -7.23 -0.59 -0.59 120.40 120.02 1rwu s VAL 58 Ca -0.04 -0.97 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 1rwu s VAL 58 Cb -0.15 -2.03 0.06 0.00 0.56 0.00 0.00 36.38 34.82 1rwu s VAL 58 CO 0.01 0.52 0.31 -0.55 -0.31 0.00 0.00 175.10 175.08 1rwu s SER 59 N -0.88 5.90 -0.11 4.85 0.15 -0.64 0.14 113.70 123.10 1rwu s SER 59 Ca 0.12 -1.29 -0.16 0.00 0.70 0.00 0.00 55.95 55.32 1rwu s SER 59 Cb -0.10 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.07 1rwu s SER 59 CO 0.01 -0.54 0.40 -0.51 1.20 0.00 0.00 173.24 173.79 1rwu s ILE 60 N 1.56 5.20 -0.11 6.45 2.07 -0.32 -0.47 121.20 135.58 1rwu s ILE 60 Ca 0.03 0.78 -0.23 0.00 -1.41 0.00 0.00 60.65 59.83 1rwu s ILE 60 Cb -0.22 -3.73 -0.03 0.00 0.13 0.00 0.00 42.46 38.61 1rwu s ILE 60 CO 0.05 0.40 0.69 -0.89 -1.91 0.00 0.00 174.94 173.28 1rwu s THR 61 N 0.22 5.03 -0.26 4.00 2.01 -1.10 -2.32 115.64 123.21 1rwu s THR 61 Ca 0.22 1.39 -0.03 0.00 0.31 0.00 0.00 61.69 63.58 1rwu s THR 61 Cb -0.15 -4.02 0.09 0.00 0.01 0.00 0.00 72.50 68.43 1rwu s THR 61 CO 0.09 0.20 0.10 -0.63 -0.69 0.00 0.00 174.62 173.69 1rwu s ILE 62 N 1.20 0.17 -1.24 1.82 1.01 -1.12 -4.48 121.20 118.56 1rwu s ILE 62 Ca 0.35 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1rwu s ILE 62 Cb -0.17 -1.03 0.12 0.00 0.01 0.00 0.00 42.46 41.40 1rwu s ILE 62 CO 0.15 -0.56 1.57 0.21 0.00 0.00 0.00 174.94 176.31 1rwu s ASN 63 N 1.99 6.95 -0.14 3.58 2.47 -1.26 0.29 114.94 128.82 1rwu s ASN 63 Ca 0.06 -2.70 -0.07 0.00 0.42 0.00 0.00 52.86 50.58 1rwu s ASN 63 Cb -0.16 -2.49 -0.04 0.00 -1.45 0.00 0.00 41.25 37.11 1rwu s ASN 63 CO -0.25 -0.96 0.10 0.00 -3.72 0.00 0.00 177.10 172.27 1rwu s ALA 64 N 2.87 3.67 -0.43 1.71 0.00 -0.85 -4.40 121.76 124.34 1rwu s ALA 64 Ca 0.48 -0.69 0.24 0.00 0.00 0.00 0.00 51.96 51.98 1rwu s ALA 64 Cb 0.00 -1.91 1.01 0.00 0.00 0.00 0.00 23.12 22.22 1rwu s ALA 64 CO 0.03 0.47 1.71 0.25 0.00 0.00 0.00 175.76 178.22 1rwu n THR 65 N 2.51 0.85 -4.26 0.00 -2.24 -1.26 -2.18 114.28 107.70 1rwu n THR 65 Ca -0.19 0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1rwu n THR 65 Cb 0.54 -1.23 -0.10 0.00 -2.10 0.00 0.00 70.33 67.44 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 -3.35 1.33 0.07 4.78 2.46 -1.26 -1.54 115.29 117.77 1rwu s HIS 66 Ca 0.03 -0.72 0.14 0.00 0.47 0.00 0.00 55.06 54.98 1rwu s HIS 66 Cb 0.09 -0.66 0.24 0.00 -0.13 0.00 0.00 32.58 32.11 1rwu s HIS 66 CO 0.37 0.12 1.52 0.97 -2.47 0.00 0.00 174.74 175.26 1rwu h ILE 67 N 2.79 1.14 0.00 0.89 6.09 -1.85 -3.16 117.51 123.40 1rwu h ILE 67 Ca -0.37 -2.26 -0.08 0.00 -1.37 0.00 0.00 64.86 60.78 1rwu h ILE 67 Cb 1.19 2.33 -0.01 0.00 0.47 0.00 0.00 36.82 40.80 1rwu h ILE 67 CO 0.63 0.58 -0.39 -0.08 -3.07 0.00 0.00 178.15 175.81 1rwu h GLU 68 N 0.00 0.00 0.28 2.19 4.57 -1.86 -2.82 114.58 116.94 1rwu h GLU 68 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1rwu h GLU 68 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1rwu h GLU 68 CO 0.08 0.39 -0.14 1.96 -1.18 0.00 0.00 179.01 180.12 1rwu h GLN 69 N 0.00 -0.37 0.00 1.92 4.20 -1.93 -2.16 115.11 116.77 1rwu h GLN 69 Ca -0.00 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1rwu h GLN 69 Cb 0.87 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1rwu h GLN 69 CO 0.05 -0.12 -0.22 -0.24 -0.67 0.00 0.00 178.83 177.63 1rwu h VAL 70 N -0.57 0.92 -0.12 -0.54 3.04 -1.67 -2.17 116.25 115.14 1rwu h VAL 70 Ca -0.04 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.82 1rwu h VAL 70 Cb 0.42 1.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1rwu h VAL 70 CO 0.06 0.21 0.02 -0.33 -1.01 0.00 0.00 177.57 176.53 1rwu h GLU 71 N 0.00 0.19 -0.34 4.17 3.07 -1.27 -1.62 114.58 118.78 1rwu h GLU 71 Ca -0.00 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1rwu h GLU 71 Cb 0.45 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1rwu h GLU 71 CO 0.03 0.39 -0.03 1.15 -1.40 0.00 0.00 179.01 179.15 1rwu h THR 72 N -0.04 1.21 -0.79 1.13 2.02 -1.16 -2.43 112.91 112.85 1rwu h THR 72 Ca 0.03 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1rwu h THR 72 Cb 0.29 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1rwu h THR 72 CO 0.00 0.29 0.32 -0.07 0.37 0.00 0.00 175.52 176.43 1rwu h LEU 73 N 0.51 1.08 -0.43 2.58 4.07 -1.11 -0.76 115.31 121.25 1rwu h LEU 73 Ca 0.11 -0.17 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 1rwu h LEU 73 Cb 0.37 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1rwu h LEU 73 CO 0.01 0.95 0.09 0.22 -1.08 0.00 0.00 178.44 178.64 1rwu h TYR 74 N 1.14 0.74 -0.18 1.13 3.20 -0.85 -1.98 116.97 120.17 1rwu h TYR 74 Ca 0.26 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1rwu h TYR 74 Cb 0.21 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1rwu h TYR 74 CO 0.02 0.70 -0.21 1.49 -1.64 0.00 0.00 178.16 178.52 1rwu h GLU 75 N 0.57 0.31 0.27 1.82 4.57 -1.12 0.28 114.58 121.28 1rwu h GLU 75 Ca 0.13 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1rwu h GLU 75 Cb 0.34 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1rwu h GLU 75 CO 0.00 0.51 -0.13 1.49 -1.18 0.00 0.00 179.01 179.71 1rwu h GLU 76 N 0.29 -0.35 0.00 1.92 4.22 -0.87 -2.75 114.58 117.04 1rwu h GLU 76 Ca 0.05 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.43 1rwu h GLU 76 Cb 0.53 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1rwu h GLU 76 CO 0.04 0.00 -0.42 1.37 -2.18 0.00 0.00 179.01 177.82 1rwu h LEU 77 N -0.88 0.00 -5.43 1.64 8.10 -1.37 -3.21 115.31 114.15 1rwu h LEU 77 Ca -0.04 0.00 -0.72 0.00 0.11 0.00 0.00 57.88 57.24 1rwu h LEU 77 Cb 0.51 0.00 -0.33 0.00 -0.44 0.00 0.00 40.66 40.40 1rwu h LEU 77 CO 0.06 0.42 0.40 0.61 -4.11 0.00 0.00 178.44 175.82 1rwu n GLY 78 N -0.04 5.85 0.79 0.17 0.00 0.99 -4.62 105.19 108.33 1rwu n GLY 78 Ca -0.01 -2.63 0.08 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.29 1.94 -1.93 1.61 4.81 -1.04 -4.69 118.16 118.57 1rwu n LYS 79 Ca 0.44 -1.84 -0.39 0.00 -0.87 0.00 0.00 58.31 55.65 1rwu n LYS 79 Cb 0.34 -1.36 0.02 0.00 0.02 0.00 0.00 35.03 34.06 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 -1.23 2.38 -1.41 3.15 1.09 -1.26 -4.89 121.20 119.04 1rwu s ILE 80 Ca 0.26 0.31 0.19 0.00 -1.10 0.00 0.00 60.65 60.31 1rwu s ILE 80 Cb 0.16 -3.17 0.33 0.00 -1.06 0.00 0.00 42.46 38.72 1rwu s ILE 80 CO 0.22 0.01 1.60 0.47 -0.10 0.00 0.00 174.94 177.14 1rwu n ASP 81 N -0.56 0.00 0.00 3.58 9.92 -1.26 -4.49 116.55 123.74 1rwu n ASP 81 Ca 0.08 0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1rwu n ASP 81 Cb 0.45 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.63 1rwu n ASP 81 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1rwu n ILE 82 N -1.30 0.00 -3.99 0.53 2.08 -1.26 -4.97 119.36 110.45 1rwu n ILE 82 Ca 0.09 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 63.09 1rwu n ILE 82 Cb 0.16 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 38.89 1rwu n ILE 82 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1rwu s VAL 83 N 0.06 1.71 -0.15 1.39 1.01 -1.26 -5.01 120.40 118.14 1rwu s VAL 83 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1rwu s VAL 83 Cb 0.00 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1rwu s VAL 83 CO 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 175.10 174.96 1rwu s ARG 84 N 1.34 2.69 0.08 2.72 1.70 -1.26 -2.05 118.95 124.15 1rwu s ARG 84 Ca -0.04 -0.72 -0.09 0.00 -0.47 0.00 0.00 55.73 54.41 1rwu s ARG 84 Cb -0.18 -2.30 -0.00 0.00 -0.57 0.00 0.00 34.95 31.90 1rwu s ARG 84 CO -0.07 -0.15 0.19 1.41 -1.08 0.00 0.00 175.30 175.60 1rwu s MET 85 N 1.19 0.80 0.03 3.89 1.75 -0.15 -5.01 119.30 121.80 1rwu s MET 85 Ca 0.00 -0.87 -0.02 0.00 -1.25 0.00 0.00 55.69 53.55 1rwu s MET 85 Cb -0.14 0.33 -0.02 0.00 2.84 0.00 0.00 34.83 37.84 1rwu s MET 85 CO -0.08 -0.25 0.02 0.54 -0.65 0.00 0.00 175.02 174.60 1rwu s VAL 86 N -3.51 0.14 0.00 10.11 0.11 -1.26 -0.06 120.40 125.94 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 0.03 -0.80 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1rwu s VAL 86 CO -0.09 -0.66 0.00 -0.11 -3.33 0.00 0.00 175.10 170.91