#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 -3.30 -2.50 2.12 0.00 -1.26 -4.92 118.16 108.30 1rwu n LYS 2 Ca 0.00 2.59 -0.42 0.00 0.00 0.00 0.00 58.31 60.49 1rwu n LYS 2 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 35.03 31.51 1rwu n LYS 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1rwu s THR 3 N -0.42 4.07 0.00 3.15 2.01 -1.26 -4.83 115.64 118.36 1rwu s THR 3 Ca -0.09 1.61 -0.00 0.00 0.31 0.00 0.00 61.69 63.52 1rwu s THR 3 Cb 0.01 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 1rwu s THR 3 CO 0.23 0.20 -0.00 -1.59 -0.69 0.00 0.00 174.62 172.77 1rwu s LYS 4 N 0.40 0.08 1.43 4.92 0.00 -1.26 -5.09 119.74 120.22 1rwu s LYS 4 Ca 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 55.97 56.37 1rwu s LYS 4 Cb -0.28 0.03 0.00 0.00 0.00 0.00 0.00 37.83 37.58 1rwu s LYS 4 CO 0.32 -0.01 0.00 1.28 0.00 0.00 0.00 175.35 176.93 1rwu n LEU 5 N 2.72 0.00 -3.20 2.77 4.77 -1.26 -4.62 117.00 118.18 1rwu n LEU 5 Ca -0.15 0.22 -0.23 0.00 -0.03 0.00 0.00 56.01 55.82 1rwu n LEU 5 Cb 0.59 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1rwu n LEU 5 CO 0.24 -1.44 -0.19 0.59 -1.33 0.00 0.00 177.39 175.26 1rwu n ASN 6 N -3.36 1.20 -3.62 -1.43 4.13 -1.26 -4.95 115.26 105.98 1rwu n ASN 6 Ca 0.00 -2.96 -0.27 0.00 1.68 0.00 0.00 54.58 53.03 1rwu n ASN 6 Cb 0.09 -0.63 0.04 0.00 -1.54 0.00 0.00 39.78 37.74 1rwu n ASN 6 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1rwu n GLU 7 N 0.89 -1.97 -0.11 3.52 4.07 -1.26 -4.93 120.64 120.85 1rwu n GLU 7 Ca 0.24 0.55 -0.16 0.00 -0.06 0.00 0.00 57.16 57.73 1rwu n GLU 7 Cb 0.54 -4.59 -0.13 0.00 -0.06 0.00 0.00 31.44 27.20 1rwu n GLU 7 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1rwu n LEU 8 N -4.03 2.30 -0.01 4.31 4.32 -1.26 -4.55 117.00 118.08 1rwu n LEU 8 Ca -0.12 -0.07 -0.16 0.00 -0.02 0.00 0.00 56.01 55.63 1rwu n LEU 8 Cb 0.61 -0.61 -0.12 0.00 -1.62 0.00 0.00 43.42 41.68 1rwu n LEU 8 CO 0.66 0.83 0.30 -0.07 -1.22 0.00 0.00 177.39 177.90 1rwu h LEU 9 N 0.01 0.36 0.90 2.23 4.07 -1.93 -3.47 115.31 117.47 1rwu h LEU 9 Ca -0.56 -0.80 -0.35 0.00 0.08 0.00 0.00 57.88 56.26 1rwu h LEU 9 Cb 1.98 -0.11 0.05 0.00 1.08 0.00 0.00 40.66 43.66 1rwu h LEU 9 CO -0.05 1.11 -0.52 1.21 -1.08 0.00 0.00 178.44 179.11 1rwu n GLU 10 N -4.36 -4.04 -3.50 1.13 4.07 -1.26 -4.97 120.64 107.70 1rwu n GLU 10 Ca -0.10 0.79 -0.39 0.00 -0.06 0.00 0.00 57.16 57.39 1rwu n GLU 10 Cb 0.60 -5.38 -0.10 0.00 -0.06 0.00 0.00 31.44 26.50 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 -3.08 3.22 -0.41 4.31 5.36 -1.22 -4.92 117.98 121.24 1rwu s PHE 11 Ca 0.24 0.06 -0.28 0.00 -0.96 0.00 0.00 56.93 56.00 1rwu s PHE 11 Cb -0.11 -2.49 -0.02 0.00 -0.34 0.00 0.00 43.02 40.07 1rwu s PHE 11 CO 0.30 -0.27 1.77 -1.25 -1.46 0.00 0.00 175.22 174.30 1rwu s PRO 12 N 1.85 3.19 0.02 10.12 0.04 -1.26 -4.11 135.00 144.86 1rwu s PRO 12 Ca 0.09 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.37 1rwu s PRO 12 Cb -0.16 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 1rwu s PRO 12 CO 0.11 -2.03 -0.17 -0.08 0.04 0.00 0.00 177.00 174.87 1rwu s THR 13 N 7.24 2.85 -0.14 1.26 -1.32 -0.97 -4.88 115.64 119.68 1rwu s THR 13 Ca 0.74 -1.08 -0.29 0.00 -1.21 0.00 0.00 61.69 59.85 1rwu s THR 13 Cb -0.19 -2.18 -0.02 0.00 -1.51 0.00 0.00 72.50 68.60 1rwu s THR 13 CO 0.30 0.40 1.38 -2.16 -2.21 0.00 0.00 174.62 172.33 1rwu s PRO 14 N -1.27 4.20 -0.51 7.08 0.04 -1.26 -3.09 135.00 140.19 1rwu s PRO 14 Ca 0.14 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 1rwu s PRO 14 Cb -0.11 -3.83 0.13 0.00 0.04 0.00 0.00 34.50 30.73 1rwu s PRO 14 CO 0.04 -0.77 0.42 -0.06 0.04 0.00 0.00 177.00 176.68 1rwu s PHE 15 N 3.71 3.35 -0.79 0.56 0.08 0.20 -4.93 117.98 120.16 1rwu s PHE 15 Ca 0.60 -1.61 -0.26 0.00 0.12 0.00 0.00 56.93 55.78 1rwu s PHE 15 Cb -0.25 -3.64 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1rwu s PHE 15 CO 0.19 -1.01 1.61 0.99 -0.10 0.00 0.00 175.22 176.91 1rwu s THR 16 N 1.45 3.60 -0.29 0.64 2.01 -1.26 -2.47 115.64 119.32 1rwu s THR 16 Ca 0.05 -0.04 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1rwu s THR 16 Cb -0.28 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 67.76 1rwu s THR 16 CO 0.01 -1.42 0.07 -0.31 -0.69 0.00 0.00 174.62 172.28 1rwu s TYR 17 N 7.40 3.14 -0.96 4.92 1.51 -1.00 -4.85 117.35 127.52 1rwu s TYR 17 Ca 0.53 -0.99 -0.22 0.00 -1.01 0.00 0.00 57.07 55.39 1rwu s TYR 17 Cb -0.07 -2.24 0.08 0.00 -0.11 0.00 0.00 41.96 39.61 1rwu s TYR 17 CO 0.09 -0.58 1.31 0.15 -1.11 0.00 0.00 175.55 175.41 1rwu s LYS 18 N 1.49 3.55 -0.86 -0.62 1.02 -1.26 -0.54 119.74 122.52 1rwu s LYS 18 Ca 0.03 -1.28 -0.25 0.00 0.02 0.00 0.00 55.97 54.49 1rwu s LYS 18 Cb -0.17 -5.09 0.03 0.00 -0.52 0.00 0.00 37.83 32.09 1rwu s LYS 18 CO 0.02 -2.04 1.40 0.08 -0.92 0.00 0.00 175.35 173.89 1rwu s VAL 19 N 4.19 3.78 -0.14 3.17 1.01 0.24 -0.53 120.40 132.13 1rwu s VAL 19 Ca 0.40 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1rwu s VAL 19 Cb -0.03 -4.92 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 1rwu s VAL 19 CO -0.07 -1.83 0.11 -0.04 0.00 0.00 0.00 175.10 173.26 1rwu s MET 20 N 5.50 3.64 0.00 2.72 -1.94 0.11 -1.85 119.30 127.49 1rwu s MET 20 Ca 0.42 -0.22 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1rwu s MET 20 Cb -0.05 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.60 1rwu s MET 20 CO 0.04 0.57 0.00 0.41 -0.01 0.00 0.00 175.02 176.03 1rwu n GLY 21 N 2.61 1.69 3.64 -0.03 0.00 -0.93 -0.66 105.19 111.50 1rwu n GLY 21 Ca -0.18 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 1.30 0.20 -0.70 1.61 2.00 -0.86 -1.14 119.66 122.08 1rwu s GLN 22 Ca 0.00 0.64 -0.21 0.00 -2.00 0.00 0.00 55.36 53.79 1rwu s GLN 22 Cb 0.00 -1.70 0.09 0.00 0.80 0.00 0.00 33.01 32.20 1rwu s GLN 22 CO 0.00 -2.92 0.94 0.00 -0.50 0.00 0.00 175.29 172.81 1rwu s ALA 23 N -2.84 3.24 0.11 1.58 0.00 -0.32 -4.02 121.76 119.52 1rwu s ALA 23 Ca 0.66 -2.14 0.05 0.00 0.00 0.00 0.00 51.96 50.54 1rwu s ALA 23 Cb -0.20 -3.82 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 1rwu s ALA 23 CO 0.59 -2.72 -0.13 -0.48 0.00 0.00 0.00 175.76 173.02 1rwu s LEU 24 N 3.43 2.40 0.34 0.00 2.34 -1.26 -4.95 118.68 120.98 1rwu s LEU 24 Ca 0.22 -0.80 0.17 0.00 0.06 0.00 0.00 54.13 53.78 1rwu s LEU 24 Cb -0.16 -0.50 0.56 0.00 -0.56 0.00 0.00 46.19 45.52 1rwu s LEU 24 CO 0.05 -0.16 1.68 1.55 -1.06 0.00 0.00 176.35 178.41 1rwu h PRO 25 N 3.58 0.00 0.00 1.48 0.13 -2.04 -3.07 132.00 132.07 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 0.50 0.44 0.00 -1.91 -0.23 0.00 0.00 178.00 176.80 1rwu n GLU 26 N -3.54 0.07 0.27 0.86 2.13 -1.26 -3.45 120.64 115.71 1rwu n GLU 26 Ca -0.00 0.34 -0.11 0.00 0.66 0.00 0.00 57.16 58.04 1rwu n GLU 26 Cb 0.55 -1.63 -0.05 0.00 0.27 0.00 0.00 31.44 30.58 1rwu n GLU 26 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1rwu h LEU 27 N 0.00 -0.65 -1.34 4.31 3.38 -1.85 0.28 115.31 119.44 1rwu h LEU 27 Ca 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1rwu h LEU 27 Cb 0.26 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1rwu h LEU 27 CO 0.00 -0.43 -0.33 -0.37 0.09 0.00 0.00 178.44 177.39 1rwu h VAL 28 N -0.71 1.22 0.50 1.22 -1.51 -1.81 -0.81 116.25 114.35 1rwu h VAL 28 Ca -0.07 -1.15 -0.02 0.00 -1.23 0.00 0.00 66.70 64.23 1rwu h VAL 28 Cb 0.55 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1rwu h VAL 28 CO 0.10 0.33 -0.24 -0.78 -1.23 0.00 0.00 177.57 175.74 1rwu h ASP 29 N 0.00 -0.57 0.28 4.19 3.58 -1.56 -2.62 116.42 119.72 1rwu h ASP 29 Ca -0.00 -0.07 -0.09 0.00 0.42 0.00 0.00 57.03 57.28 1rwu h ASP 29 Cb 0.59 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 1rwu h ASP 29 CO 0.04 -0.23 -0.39 -0.61 -2.88 0.00 0.00 179.24 175.18 1rwu h GLN 30 N -0.93 0.16 0.13 0.28 5.75 -0.93 -2.28 115.11 117.28 1rwu h GLN 30 Ca -0.07 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1rwu h GLN 30 Cb 0.60 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 1rwu h GLN 30 CO 0.11 0.52 -0.13 0.28 -2.65 0.00 0.00 178.83 176.96 1rwu h VAL 31 N 0.13 0.70 -0.04 2.39 2.07 -1.10 0.28 116.25 120.69 1rwu h VAL 31 Ca 0.01 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1rwu h VAL 31 Cb 0.75 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1rwu h VAL 31 CO 0.06 0.00 -0.70 1.62 0.02 0.00 0.00 177.57 178.56 1rwu h VAL 32 N -0.29 1.43 -0.01 2.57 3.04 -1.44 -2.09 116.25 119.46 1rwu h VAL 32 Ca 0.01 -2.23 -0.02 0.00 -1.01 0.00 0.00 66.70 63.45 1rwu h VAL 32 Cb 0.28 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1rwu h VAL 32 CO -0.04 0.65 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.76 1rwu h GLU 33 N 0.14 0.08 -0.18 4.17 3.07 -1.21 -2.11 114.58 118.53 1rwu h GLU 33 Ca -0.02 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.66 1rwu h GLU 33 Cb 1.25 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 1rwu h GLU 33 CO 0.11 0.74 -0.37 -0.24 -1.40 0.00 0.00 179.01 177.84 1rwu h VAL 34 N -0.57 1.30 -0.01 3.13 3.04 -0.53 -2.12 116.25 120.49 1rwu h VAL 34 Ca -0.01 -1.48 -0.16 0.00 -1.01 0.00 0.00 66.70 64.04 1rwu h VAL 34 Cb 0.76 1.57 -0.02 0.00 -2.01 0.00 0.00 31.29 31.59 1rwu h VAL 34 CO 0.02 0.46 -0.73 1.62 -1.01 0.00 0.00 177.57 177.93 1rwu h VAL 35 N 0.34 1.48 -0.07 1.51 3.04 -1.45 -2.95 116.25 118.15 1rwu h VAL 35 Ca 0.04 -2.39 -0.17 0.00 -1.01 0.00 0.00 66.70 63.17 1rwu h VAL 35 Cb 0.81 2.28 -0.01 0.00 -2.01 0.00 0.00 31.29 32.37 1rwu h VAL 35 CO 0.07 0.69 -0.71 -0.61 -1.01 0.00 0.00 177.57 176.00 1rwu h GLN 36 N 0.06 0.33 -0.17 4.17 4.15 -1.20 0.30 115.11 122.75 1rwu h GLN 36 Ca -0.02 -0.26 -0.11 0.00 0.77 0.00 0.00 58.65 59.03 1rwu h GLN 36 Cb 1.28 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 1rwu h GLN 36 CO 0.10 0.90 -0.39 0.00 -1.93 0.00 0.00 178.83 177.52 1rwu h ARG 37 N 0.22 0.37 0.00 1.69 3.08 -1.32 -3.35 114.38 115.08 1rwu h ARG 37 Ca -0.02 -0.17 -0.42 0.00 0.07 0.00 0.00 59.98 59.43 1rwu h ARG 37 Cb 1.27 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 1rwu h ARG 37 CO 0.12 0.71 -2.44 0.72 -1.07 0.00 0.00 179.97 178.00 1rwu n HIS 38 N -4.04 0.10 -3.96 3.04 8.25 -1.12 -4.98 115.22 112.51 1rwu n HIS 38 Ca -0.01 0.03 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 1rwu n HIS 38 Cb 0.48 -1.01 -0.05 0.00 1.12 0.00 0.00 29.99 30.53 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 -2.51 3.87 0.32 -1.41 0.00 0.10 -4.96 121.76 117.17 1rwu s ALA 39 Ca -0.36 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 50.41 1rwu s ALA 39 Cb 0.12 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.44 1rwu s ALA 39 CO 0.55 0.79 1.14 -1.25 0.00 0.00 0.00 175.76 176.99 1rwu s PRO 40 N -2.51 4.46 0.00 0.00 0.04 -1.26 -4.03 135.00 131.69 1rwu s PRO 40 Ca 0.33 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1rwu s PRO 40 Cb -0.13 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1rwu s PRO 40 CO 0.26 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.74 1rwu n GLY 41 N 0.96 -1.75 3.90 0.56 0.00 -1.26 -4.94 105.19 102.65 1rwu n GLY 41 Ca 0.00 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 1rwu n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rwu s ASP 42 N -3.95 6.42 0.27 1.61 1.01 -1.26 -4.23 116.67 116.55 1rwu s ASP 42 Ca 0.00 0.43 0.04 0.00 0.71 0.00 0.00 52.55 53.73 1rwu s ASP 42 Cb 0.00 -2.04 -0.06 0.00 1.01 0.00 0.00 42.92 41.84 1rwu s ASP 42 CO 0.00 0.26 0.01 -0.31 0.21 0.00 0.00 175.17 175.34 1rwu s TYR 43 N -1.31 1.77 0.04 4.23 2.02 -1.26 -5.04 117.35 117.80 1rwu s TYR 43 Ca 0.27 -0.90 -0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1rwu s TYR 43 Cb -0.13 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 1rwu s TYR 43 CO 0.17 0.02 -0.03 0.99 -1.57 0.00 0.00 175.55 175.14 1rwu s THR 44 N -3.32 0.19 -0.03 -0.71 2.01 -1.26 -3.86 115.64 108.67 1rwu s THR 44 Ca 0.32 -1.59 -0.10 0.00 0.31 0.00 0.00 61.69 60.64 1rwu s THR 44 Cb 0.06 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 1rwu s THR 44 CO 0.12 -0.88 0.29 -2.16 -0.69 0.00 0.00 174.62 171.30 1rwu s PRO 45 N -3.33 3.67 -0.77 4.92 0.04 -1.26 -2.80 135.00 135.47 1rwu s PRO 45 Ca 0.01 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.98 1rwu s PRO 45 Cb 0.04 -3.15 0.16 0.00 0.04 0.00 0.00 34.50 31.58 1rwu s PRO 45 CO -0.08 0.69 0.83 0.99 0.04 0.00 0.00 177.00 179.47 1rwu s THR 46 N -1.15 5.12 0.23 1.26 2.01 0.11 -4.68 115.64 118.52 1rwu s THR 46 Ca 0.23 -1.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.20 1rwu s THR 46 Cb -0.14 -4.55 -0.09 0.00 0.01 0.00 0.00 72.50 67.73 1rwu s THR 46 CO 0.12 -1.18 1.06 0.54 -0.69 0.00 0.00 174.62 174.47 1rwu s VAL 47 N 1.68 3.78 0.01 3.82 0.11 -1.26 -1.52 120.40 127.02 1rwu s VAL 47 Ca 0.19 1.67 -0.04 0.00 -2.93 0.00 0.00 61.98 60.87 1rwu s VAL 47 Cb -0.14 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.63 1rwu s VAL 47 CO -0.04 0.35 0.06 -1.59 -3.33 0.00 0.00 175.10 170.56 1rwu s LYS 48 N -0.94 0.42 -1.14 1.54 -2.85 0.29 -4.93 119.74 112.13 1rwu s LYS 48 Ca 0.46 -0.53 -0.22 0.00 -1.00 0.00 0.00 55.97 54.68 1rwu s LYS 48 Cb -0.30 0.17 -0.00 0.00 -2.06 0.00 0.00 37.83 35.64 1rwu s LYS 48 CO 0.37 -0.09 1.78 -1.25 0.10 0.00 0.00 175.35 176.26 1rwu s PRO 49 N -1.55 3.19 -0.20 1.78 0.04 -1.26 -2.32 135.00 134.68 1rwu s PRO 49 Ca -0.14 -1.26 -0.16 0.00 0.04 0.00 0.00 61.00 59.48 1rwu s PRO 49 Cb -0.08 -5.33 -0.20 0.00 0.04 0.00 0.00 34.50 28.93 1rwu s PRO 49 CO -0.00 -2.99 0.17 0.45 0.04 0.00 0.00 177.00 174.67 1rwu n SER 50 N 11.37 1.95 -4.96 6.66 2.88 -1.26 -4.97 113.62 125.29 1rwu n SER 50 Ca 0.43 0.33 -0.19 0.00 -1.33 0.00 0.00 58.87 58.11 1rwu n SER 50 Cb 0.47 -0.90 -0.00 0.00 -0.75 0.00 0.00 64.21 63.03 1rwu n SER 50 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1rwu s SER 51 N -6.97 5.37 0.30 -3.46 0.15 -1.26 -5.08 113.70 102.75 1rwu s SER 51 Ca -0.29 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 55.84 1rwu s SER 51 Cb 0.07 -0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1rwu s SER 51 CO 0.63 -0.76 0.40 -0.54 1.20 0.00 0.00 173.24 174.16 1rwu s LYS 52 N -4.29 3.17 2.66 5.44 3.01 -1.26 -4.72 119.74 123.76 1rwu s LYS 52 Ca 0.52 -0.96 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 1rwu s LYS 52 Cb -0.07 -2.80 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 1rwu s LYS 52 CO 0.31 0.21 0.00 0.41 0.51 0.00 0.00 175.35 176.79 1rwu n GLY 53 N -1.51 0.59 2.70 -3.33 0.00 -1.26 -4.20 105.19 98.18 1rwu n GLY 53 Ca -0.04 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 2.67 7.30 -3.95 1.61 5.15 -1.26 -4.95 115.26 121.84 1rwu n ASN 54 Ca 0.00 -3.72 -0.20 0.00 -0.60 0.00 0.00 54.58 50.06 1rwu n ASN 54 Cb 0.00 -1.13 -0.16 0.00 -0.53 0.00 0.00 39.78 37.96 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 -4.26 0.87 -0.01 1.20 6.14 -1.26 -1.17 117.35 118.85 1rwu s TYR 55 Ca 0.42 -0.24 0.03 0.00 0.64 0.00 0.00 57.07 57.92 1rwu s TYR 55 Cb 0.24 -0.68 -0.00 0.00 0.42 0.00 0.00 41.96 41.94 1rwu s TYR 55 CO -0.18 -0.15 -0.09 -1.01 0.64 0.00 0.00 175.55 174.75 1rwu s HIS 56 N 0.56 0.86 -0.28 4.97 3.76 -0.29 -4.32 115.29 120.55 1rwu s HIS 56 Ca -0.08 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1rwu s HIS 56 Cb -0.12 -0.57 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 1rwu s HIS 56 CO 0.01 -0.03 0.07 -1.12 -0.85 0.00 0.00 174.74 172.82 1rwu s SER 57 N -0.13 5.10 0.01 1.40 0.01 -0.98 -2.20 113.70 116.91 1rwu s SER 57 Ca 0.02 -0.58 0.06 0.00 1.31 0.00 0.00 55.95 56.76 1rwu s SER 57 Cb -0.05 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1rwu s SER 57 CO -0.00 -0.15 -0.17 0.68 0.41 0.00 0.00 173.24 174.01 1rwu s VAL 58 N 1.53 2.87 -0.40 3.43 -7.23 -0.77 -0.55 120.40 119.28 1rwu s VAL 58 Ca 0.04 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1rwu s VAL 58 Cb -0.17 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.64 1rwu s VAL 58 CO 0.02 0.43 0.24 -0.44 -0.31 0.00 0.00 175.10 175.04 1rwu s SER 59 N -1.18 5.75 -0.10 4.85 0.01 -0.58 0.82 113.70 123.28 1rwu s SER 59 Ca 0.14 -1.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.07 1rwu s SER 59 Cb -0.11 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 1rwu s SER 59 CO 0.04 -0.45 0.43 -0.51 0.41 0.00 0.00 173.24 173.16 1rwu s ILE 60 N 1.53 5.17 -0.16 1.44 2.07 0.30 0.07 121.20 131.62 1rwu s ILE 60 Ca 0.02 0.86 -0.22 0.00 -1.41 0.00 0.00 60.65 59.91 1rwu s ILE 60 Cb -0.21 -3.77 -0.03 0.00 0.13 0.00 0.00 42.46 38.59 1rwu s ILE 60 CO 0.06 0.39 0.68 0.28 -1.91 0.00 0.00 174.94 174.44 1rwu s THR 61 N 0.23 5.00 -0.13 4.00 -1.32 -1.12 -2.37 115.64 119.94 1rwu s THR 61 Ca 0.24 1.33 0.02 0.00 -1.21 0.00 0.00 61.69 62.07 1rwu s THR 61 Cb -0.15 -4.00 0.01 0.00 -1.51 0.00 0.00 72.50 66.85 1rwu s THR 61 CO 0.10 0.13 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.81 1rwu s ILE 62 N 1.68 1.91 -1.01 5.08 -1.09 -1.03 -4.53 121.20 122.22 1rwu s ILE 62 Ca 0.32 -0.89 -0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1rwu s ILE 62 Cb -0.16 -1.70 0.31 0.00 -1.58 0.00 0.00 42.46 39.33 1rwu s ILE 62 CO 0.12 0.52 1.61 -3.20 -1.23 0.00 0.00 174.94 172.77 1rwu n ASN 63 N 4.12 6.73 -4.76 3.58 5.15 -1.26 0.59 115.26 129.41 1rwu n ASN 63 Ca -0.20 -3.58 -0.37 0.00 -0.60 0.00 0.00 54.58 49.83 1rwu n ASN 63 Cb 0.51 -1.15 -0.06 0.00 -0.53 0.00 0.00 39.78 38.55 1rwu n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rwu s ALA 64 N -3.67 3.60 0.28 5.20 0.00 -1.18 -4.50 121.76 121.49 1rwu s ALA 64 Ca 0.37 -0.35 0.30 0.00 0.00 0.00 0.00 51.96 52.28 1rwu s ALA 64 Cb 0.14 -2.43 1.39 0.00 0.00 0.00 0.00 23.12 22.22 1rwu s ALA 64 CO -0.04 0.19 2.01 1.79 0.00 0.00 0.00 175.76 179.71 1rwu h THR 65 N 4.43 0.34 -3.27 0.00 1.35 -1.84 -2.57 112.91 111.37 1rwu h THR 65 Ca -0.44 -0.63 -0.36 0.00 -0.55 0.00 0.00 66.41 64.43 1rwu h THR 65 Cb 1.18 1.47 -0.15 0.00 -1.73 0.00 0.00 68.15 68.93 1rwu h THR 65 CO 0.71 0.10 -0.72 -2.28 -0.25 0.00 0.00 175.52 173.09 1rwu s HIS 66 N -3.89 1.38 -0.31 4.73 2.46 -1.26 -3.42 115.29 114.98 1rwu s HIS 66 Ca -0.01 -0.72 0.27 0.00 0.47 0.00 0.00 55.06 55.07 1rwu s HIS 66 Cb 0.11 -0.69 1.04 0.00 -0.13 0.00 0.00 32.58 32.91 1rwu s HIS 66 CO 0.57 0.14 1.80 0.97 -2.47 0.00 0.00 174.74 175.75 1rwu h ILE 67 N 2.71 0.00 -0.14 0.89 2.10 -1.90 -3.02 117.51 118.15 1rwu h ILE 67 Ca -0.37 -0.41 -0.13 0.00 1.08 0.00 0.00 64.86 65.03 1rwu h ILE 67 Cb 1.20 1.29 -0.01 0.00 -1.09 0.00 0.00 36.82 38.21 1rwu h ILE 67 CO 0.63 0.00 -0.47 -0.33 -1.08 0.00 0.00 178.15 176.90 1rwu h GLU 68 N 0.00 0.36 -0.10 2.19 3.07 -1.90 -2.33 114.58 115.87 1rwu h GLU 68 Ca 0.00 -0.20 -0.02 0.00 -0.50 0.00 0.00 59.36 58.64 1rwu h GLU 68 Cb 0.51 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1rwu h GLU 68 CO 0.00 0.76 -0.00 1.96 -1.40 0.00 0.00 179.01 180.33 1rwu h GLN 69 N 0.29 0.19 0.00 2.33 4.20 -1.92 -2.55 115.11 117.65 1rwu h GLN 69 Ca 0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1rwu h GLN 69 Cb 0.94 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1rwu h GLN 69 CO 0.08 0.45 -0.25 -0.24 -0.67 0.00 0.00 178.83 178.20 1rwu h VAL 70 N -0.09 0.77 0.08 -0.54 3.04 -1.66 -1.88 116.25 115.96 1rwu h VAL 70 Ca 0.03 -1.01 -0.00 0.00 -1.01 0.00 0.00 66.70 64.70 1rwu h VAL 70 Cb 0.36 1.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1rwu h VAL 70 CO 0.01 0.24 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.44 1rwu h GLU 71 N 0.00 -0.10 -0.34 4.17 5.08 -1.23 -2.01 114.58 120.15 1rwu h GLU 71 Ca -0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1rwu h GLU 71 Cb 0.61 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1rwu h GLU 71 CO 0.03 0.27 -0.06 1.79 -1.00 0.00 0.00 179.01 180.04 1rwu h THR 72 N -0.49 1.22 -0.80 1.13 1.35 -1.39 -2.53 112.91 111.41 1rwu h THR 72 Ca -0.01 -0.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1rwu h THR 72 Cb 0.42 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 1rwu h THR 72 CO 0.02 0.32 0.50 -0.07 -0.25 0.00 0.00 175.52 176.03 1rwu h LEU 73 N 0.53 0.95 -0.39 3.87 4.07 -1.24 0.22 115.31 123.31 1rwu h LEU 73 Ca 0.10 -0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 1rwu h LEU 73 Cb 0.44 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 1rwu h LEU 73 CO 0.02 0.72 0.06 0.22 -1.08 0.00 0.00 178.44 178.39 1rwu h TYR 74 N 1.09 0.68 -0.41 1.13 3.20 -0.99 -0.74 116.97 120.94 1rwu h TYR 74 Ca 0.29 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.96 1rwu h TYR 74 Cb -0.07 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1rwu h TYR 74 CO -0.01 0.68 -0.17 0.93 -1.64 0.00 0.00 178.16 177.95 1rwu h GLU 75 N 0.49 0.78 -0.01 1.82 3.07 -1.05 0.34 114.58 120.02 1rwu h GLU 75 Ca 0.12 -0.29 -0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1rwu h GLU 75 Cb 0.36 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1rwu h GLU 75 CO 0.01 0.90 -0.00 0.93 -1.40 0.00 0.00 179.01 179.44 1rwu h GLU 76 N 0.69 0.01 0.00 2.33 5.08 -0.42 -2.65 114.58 119.62 1rwu h GLU 76 Ca 0.10 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1rwu h GLU 76 Cb 0.67 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1rwu h GLU 76 CO 0.05 0.46 -0.63 1.37 -1.00 0.00 0.00 179.01 179.25 1rwu h LEU 77 N -0.44 0.00 -4.85 1.33 8.10 -1.14 -3.23 115.31 115.09 1rwu h LEU 77 Ca 0.00 0.00 -0.73 0.00 0.11 0.00 0.00 57.88 57.26 1rwu h LEU 77 Cb 0.46 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.37 1rwu h LEU 77 CO 0.00 0.63 0.69 0.61 -4.11 0.00 0.00 178.44 176.27 1rwu n GLY 78 N 0.49 5.64 0.78 0.17 0.00 0.12 -4.53 105.19 107.86 1rwu n GLY 78 Ca -0.01 -2.53 0.08 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.55 1.90 -1.02 1.61 4.81 -1.00 -4.77 118.16 119.14 1rwu n LYS 79 Ca 0.51 -1.82 -0.33 0.00 -0.87 0.00 0.00 58.31 55.81 1rwu n LYS 79 Cb 0.34 -1.35 0.13 0.00 0.02 0.00 0.00 35.03 34.17 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 2.14 -1.59 3.15 1.09 -1.26 -4.89 121.20 118.61 1rwu s ILE 80 Ca 0.25 0.06 0.25 0.00 -1.10 0.00 0.00 60.65 60.11 1rwu s ILE 80 Cb 0.15 -2.36 0.52 0.00 -1.06 0.00 0.00 42.46 39.72 1rwu s ILE 80 CO 0.22 -0.05 1.85 -0.67 -0.10 0.00 0.00 174.94 176.19 1rwu n ASP 81 N -3.55 0.00 0.00 3.58 2.03 -1.26 -4.70 116.55 112.65 1rwu n ASP 81 Ca 0.13 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1rwu n ASP 81 Cb 0.51 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1rwu n ASP 81 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1rwu n ILE 82 N -1.21 0.00 -4.09 5.18 2.08 -1.26 -5.03 119.36 115.03 1rwu n ILE 82 Ca 0.14 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.12 1rwu n ILE 82 Cb 0.17 0.00 -0.16 0.00 -0.75 0.00 0.00 39.64 38.90 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 1.18 2.17 -0.08 1.39 1.01 -1.26 -5.04 120.40 119.77 1rwu s VAL 83 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1rwu s VAL 83 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1rwu s VAL 83 CO 0.00 0.37 -0.21 -0.13 0.00 0.00 0.00 175.10 175.13 1rwu s ARG 84 N 1.25 2.53 0.06 2.72 3.00 -1.26 -2.03 118.95 125.22 1rwu s ARG 84 Ca 0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 55.73 54.94 1rwu s ARG 84 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 34.95 32.78 1rwu s ARG 84 CO -0.10 0.19 0.07 1.41 0.00 0.00 0.00 175.30 176.87 1rwu s MET 85 N 0.27 0.67 0.02 3.54 1.75 0.16 -4.98 119.30 120.74 1rwu s MET 85 Ca -0.13 -1.02 -0.03 0.00 -1.25 0.00 0.00 55.69 53.27 1rwu s MET 85 Cb -0.16 0.25 -0.02 0.00 2.84 0.00 0.00 34.83 37.75 1rwu s MET 85 CO 0.06 -0.17 0.03 0.54 -0.65 0.00 0.00 175.02 174.83 1rwu s VAL 86 N -3.54 0.12 0.00 10.11 0.11 -1.25 0.07 120.40 126.02 1rwu s VAL 86 Ca 0.03 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1rwu s VAL 86 Cb 0.04 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1rwu s VAL 86 CO -0.09 -0.56 0.00 -0.11 -3.33 0.00 0.00 175.10 171.01