#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 4.00 -0.08 0.03 2.36 -1.26 -3.51 119.74 121.27 1rwu s LYS 2 Ca 0.00 -2.13 0.05 0.00 -2.55 0.00 0.00 55.97 51.34 1rwu s LYS 2 Cb 0.00 -5.40 -0.00 0.00 -1.05 0.00 0.00 37.83 31.38 1rwu s LYS 2 CO 0.00 -2.12 -0.24 0.95 1.55 0.00 0.00 175.35 175.49 1rwu s THR 3 N 3.51 2.07 0.00 3.43 -4.23 -1.26 -4.93 115.64 114.23 1rwu s THR 3 Ca 0.50 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1rwu s THR 3 Cb 0.02 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1rwu s THR 3 CO 0.05 0.56 0.00 0.29 -0.54 0.00 0.00 174.62 174.98 1rwu n LYS 4 N 3.27 0.00 -0.04 3.99 5.02 -1.26 -4.43 118.16 124.71 1rwu n LYS 4 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1rwu n LYS 4 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1rwu n LYS 4 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rwu n LEU 5 N 0.00 0.00 0.26 -0.35 4.32 -1.26 -5.01 117.00 114.96 1rwu n LEU 5 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 1rwu n LEU 5 Cb 0.00 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 1rwu n LEU 5 CO 0.00 -0.03 0.63 -1.13 -1.22 0.00 0.00 177.39 175.64 1rwu h ASN 6 N 0.00 -0.53 -2.92 -1.43 -0.73 -1.93 -3.44 115.58 104.60 1rwu h ASN 6 Ca 0.00 -0.04 -0.21 0.00 1.87 0.00 0.00 56.30 57.91 1rwu h ASN 6 Cb 0.00 0.14 -0.32 0.00 0.27 0.00 0.00 38.32 38.41 1rwu h ASN 6 CO 0.00 -0.29 -0.53 -0.70 -0.37 0.00 0.00 177.43 175.55 1rwu s GLU 7 N -5.54 0.15 -0.20 6.67 2.56 -1.26 -4.31 118.70 116.77 1rwu s GLU 7 Ca -0.16 0.73 0.09 0.00 0.00 0.00 0.00 54.97 55.63 1rwu s GLU 7 Cb 0.03 -0.05 -0.19 0.00 2.00 0.00 0.00 34.13 35.93 1rwu s GLU 7 CO 0.59 -0.27 -0.06 1.28 -0.56 0.00 0.00 175.26 176.23 1rwu n LEU 8 N 5.24 1.39 -0.08 2.70 7.99 -1.23 -4.65 117.00 128.35 1rwu n LEU 8 Ca -0.08 -0.06 -0.16 0.00 -0.01 0.00 0.00 56.01 55.70 1rwu n LEU 8 Cb 0.50 -0.14 -0.12 0.00 -0.11 0.00 0.00 43.42 43.55 1rwu n LEU 8 CO 0.04 0.65 0.03 -0.07 -1.51 0.00 0.00 177.39 176.53 1rwu h LEU 9 N 0.00 0.00 -1.05 2.23 4.07 -1.94 -3.48 115.31 115.14 1rwu h LEU 9 Ca -0.50 -0.78 -0.39 0.00 0.08 0.00 0.00 57.88 56.29 1rwu h LEU 9 Cb 1.97 0.00 0.13 0.00 1.08 0.00 0.00 40.66 43.84 1rwu h LEU 9 CO -0.02 1.17 -0.71 1.21 -1.08 0.00 0.00 178.44 179.01 1rwu n GLU 10 N -4.55 -7.50 -3.58 1.13 4.07 -1.25 -4.98 120.64 103.98 1rwu n GLU 10 Ca -0.18 0.82 -0.36 0.00 -0.06 0.00 0.00 57.16 57.37 1rwu n GLU 10 Cb 0.54 -5.85 -0.07 0.00 -0.06 0.00 0.00 31.44 26.00 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 -3.33 3.48 -0.42 4.31 5.36 -0.75 -4.86 117.98 121.77 1rwu s PHE 11 Ca 0.45 0.58 -0.28 0.00 -0.96 0.00 0.00 56.93 56.73 1rwu s PHE 11 Cb -0.20 -2.29 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 1rwu s PHE 11 CO 0.74 0.31 1.76 -1.25 -1.46 0.00 0.00 175.22 175.31 1rwu s PRO 12 N 0.24 3.18 0.01 10.12 0.04 -1.26 -4.02 135.00 143.31 1rwu s PRO 12 Ca 0.16 1.14 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1rwu s PRO 12 Cb -0.13 -4.22 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 1rwu s PRO 12 CO 0.04 -2.04 -0.15 -0.08 0.04 0.00 0.00 177.00 174.81 1rwu s THR 13 N 7.25 1.15 -0.02 1.26 -1.32 -0.87 -4.88 115.64 118.20 1rwu s THR 13 Ca 0.74 -0.78 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 1rwu s THR 13 Cb -0.19 -0.99 -0.05 0.00 -1.51 0.00 0.00 72.50 69.77 1rwu s THR 13 CO 0.30 0.20 1.31 -2.16 -2.21 0.00 0.00 174.62 172.06 1rwu s PRO 14 N -0.67 4.32 -0.52 7.08 0.04 -1.26 -1.64 135.00 142.35 1rwu s PRO 14 Ca 0.04 1.84 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 1rwu s PRO 14 Cb -0.06 -3.55 0.13 0.00 0.04 0.00 0.00 34.50 31.06 1rwu s PRO 14 CO 0.00 -0.51 0.44 -0.06 0.04 0.00 0.00 177.00 176.92 1rwu s PHE 15 N 2.24 3.35 -0.94 0.56 0.08 0.83 -4.91 117.98 119.19 1rwu s PHE 15 Ca 0.60 -1.59 -0.24 0.00 0.12 0.00 0.00 56.93 55.82 1rwu s PHE 15 Cb -0.29 -3.66 0.03 0.00 -0.57 0.00 0.00 43.02 38.53 1rwu s PHE 15 CO 0.25 -1.01 1.51 0.99 -0.10 0.00 0.00 175.22 176.86 1rwu s THR 16 N 1.41 3.80 -0.50 0.64 2.01 -1.26 -2.57 115.64 119.17 1rwu s THR 16 Ca 0.05 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 1rwu s THR 16 Cb -0.27 -4.85 0.08 0.00 0.01 0.00 0.00 72.50 67.46 1rwu s THR 16 CO 0.01 -1.75 0.51 -0.31 -0.69 0.00 0.00 174.62 172.38 1rwu s TYR 17 N 5.95 3.16 -1.02 4.92 1.51 -0.95 -4.82 117.35 126.09 1rwu s TYR 17 Ca 0.48 -0.83 -0.23 0.00 -1.01 0.00 0.00 57.07 55.48 1rwu s TYR 17 Cb -0.03 -3.43 0.03 0.00 -0.11 0.00 0.00 41.96 38.43 1rwu s TYR 17 CO -0.04 -0.94 1.56 0.15 -1.11 0.00 0.00 175.55 175.17 1rwu s LYS 18 N 2.06 3.44 -0.66 -0.62 3.01 -1.26 -0.84 119.74 124.87 1rwu s LYS 18 Ca 0.08 -1.05 -0.25 0.00 -1.01 0.00 0.00 55.97 53.74 1rwu s LYS 18 Cb -0.23 -5.32 0.05 0.00 -1.01 0.00 0.00 37.83 31.31 1rwu s LYS 18 CO 0.08 -2.43 1.10 0.14 0.51 0.00 0.00 175.35 174.76 1rwu s VAL 19 N 5.83 4.08 0.12 3.17 -7.23 0.19 0.02 120.40 126.57 1rwu s VAL 19 Ca 0.51 0.18 0.06 0.00 -1.81 0.00 0.00 61.98 60.91 1rwu s VAL 19 Cb -0.01 -4.75 -0.04 0.00 0.56 0.00 0.00 36.38 32.14 1rwu s VAL 19 CO -0.07 -1.54 -0.00 -0.04 -0.31 0.00 0.00 175.10 173.14 1rwu s MET 20 N 4.77 2.50 0.00 4.82 -1.94 0.13 -2.11 119.30 127.47 1rwu s MET 20 Ca 0.31 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.36 1rwu s MET 20 Cb -0.12 -2.48 0.00 0.00 2.01 0.00 0.00 34.83 34.24 1rwu s MET 20 CO 0.15 0.51 0.00 0.41 -0.01 0.00 0.00 175.02 176.08 1rwu n GLY 21 N 0.35 1.11 3.64 -0.03 0.00 -0.70 0.35 105.19 109.91 1rwu n GLY 21 Ca -0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 1.51 0.39 -0.52 1.61 2.00 -0.76 -0.67 119.66 123.20 1rwu s GLN 22 Ca 0.00 0.78 -0.27 0.00 -2.00 0.00 0.00 55.36 53.87 1rwu s GLN 22 Cb 0.00 -1.71 -0.03 0.00 0.80 0.00 0.00 33.01 32.07 1rwu s GLN 22 CO 0.00 -2.83 1.90 0.00 -0.50 0.00 0.00 175.29 173.87 1rwu s ALA 23 N -2.80 2.29 -0.11 1.58 0.00 -0.92 -3.31 121.76 118.49 1rwu s ALA 23 Ca 0.66 -0.34 -0.00 0.00 0.00 0.00 0.00 51.96 52.27 1rwu s ALA 23 Cb -0.20 -4.23 0.02 0.00 0.00 0.00 0.00 23.12 18.71 1rwu s ALA 23 CO 0.59 -3.63 -0.08 -1.17 0.00 0.00 0.00 175.76 171.48 1rwu s LEU 24 N 8.85 1.20 0.26 0.00 2.96 -1.26 -4.93 118.68 125.76 1rwu s LEU 24 Ca 0.74 -0.30 0.24 0.00 -0.22 0.00 0.00 54.13 54.59 1rwu s LEU 24 Cb -0.16 -0.84 0.96 0.00 0.50 0.00 0.00 46.19 46.66 1rwu s LEU 24 CO 0.25 -0.11 1.73 -0.81 -1.32 0.00 0.00 176.35 176.09 1rwu n PRO 25 N 4.89 0.22 0.00 0.98 -0.04 -1.26 -2.77 135.00 137.02 1rwu n PRO 25 Ca -0.13 0.39 0.15 0.00 -0.04 0.00 0.00 63.50 63.88 1rwu n PRO 25 Cb 0.50 -1.88 0.84 0.00 -0.04 0.00 0.00 33.50 32.93 1rwu n PRO 25 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1rwu n GLU 26 N -2.28 1.11 -0.19 0.54 0.00 -1.26 -3.99 120.64 114.57 1rwu n GLU 26 Ca 0.03 -0.21 0.06 0.00 0.00 0.00 0.00 57.16 57.03 1rwu n GLU 26 Cb 0.27 -1.50 0.34 0.00 0.00 0.00 0.00 31.44 30.55 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 0.52 0.70 -0.04 4.31 8.10 -1.90 -1.67 115.31 125.32 1rwu h LEU 27 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 57.88 57.78 1rwu h LEU 27 Cb 0.13 -0.15 -0.02 0.00 -0.44 0.00 0.00 40.66 40.17 1rwu h LEU 27 CO 0.00 0.46 -1.01 1.62 -4.11 0.00 0.00 178.44 175.40 1rwu h VAL 28 N 0.80 1.66 0.06 0.15 3.04 -1.86 -2.36 116.25 117.74 1rwu h VAL 28 Ca 0.31 -3.26 -0.00 0.00 -1.01 0.00 0.00 66.70 62.74 1rwu h VAL 28 Cb 0.20 2.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1rwu h VAL 28 CO -0.10 0.93 -0.03 -0.78 -1.01 0.00 0.00 177.57 176.58 1rwu h ASP 29 N 0.02 -0.07 -0.21 3.17 3.58 -1.60 -2.32 116.42 118.98 1rwu h ASP 29 Ca -0.03 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.05 1rwu h ASP 29 Cb 1.75 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.81 1rwu h ASP 29 CO 0.14 0.27 -0.13 -0.61 -2.88 0.00 0.00 179.24 176.02 1rwu h GLN 30 N -0.42 0.47 -0.03 0.28 4.15 -1.44 -2.30 115.11 115.82 1rwu h GLN 30 Ca -0.01 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.23 1rwu h GLN 30 Cb 0.37 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 1rwu h GLN 30 CO 0.01 0.77 -0.26 0.28 -1.93 0.00 0.00 178.83 177.71 1rwu h VAL 31 N 0.16 0.41 -0.33 2.39 2.07 -1.46 0.29 116.25 119.78 1rwu h VAL 31 Ca 0.04 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1rwu h VAL 31 Cb 0.64 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1rwu h VAL 31 CO 0.04 0.00 -0.18 1.62 0.02 0.00 0.00 177.57 179.07 1rwu h VAL 32 N -0.38 1.26 0.03 2.57 3.04 -1.47 -1.21 116.25 120.09 1rwu h VAL 32 Ca 0.07 -1.20 -0.00 0.00 -1.01 0.00 0.00 66.70 64.56 1rwu h VAL 32 Cb 0.48 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1rwu h VAL 32 CO -0.25 0.39 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.36 1rwu h GLU 33 N 0.54 -0.04 -0.10 4.17 5.08 -1.00 -1.84 114.58 121.39 1rwu h GLU 33 Ca 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1rwu h GLU 33 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1rwu h GLU 33 CO 0.04 0.59 -0.26 -0.24 -1.00 0.00 0.00 179.01 178.14 1rwu h VAL 34 N -0.74 1.23 0.00 3.13 3.04 -0.49 -2.31 116.25 120.12 1rwu h VAL 34 Ca -0.00 -1.09 -0.17 0.00 -1.01 0.00 0.00 66.70 64.43 1rwu h VAL 34 Cb 0.65 1.45 -0.02 0.00 -2.01 0.00 0.00 31.29 31.35 1rwu h VAL 34 CO 0.01 0.33 -0.81 1.62 -1.01 0.00 0.00 177.57 177.71 1rwu h VAL 35 N 0.17 1.40 0.00 1.51 3.04 -1.28 -3.12 116.25 117.97 1rwu h VAL 35 Ca 0.03 -2.94 -0.25 0.00 -1.01 0.00 0.00 66.70 62.53 1rwu h VAL 35 Cb 0.56 2.66 0.01 0.00 -2.01 0.00 0.00 31.29 32.51 1rwu h VAL 35 CO 0.04 0.79 -1.00 -0.61 -1.01 0.00 0.00 177.57 175.78 1rwu h GLN 36 N 0.00 0.55 0.00 4.17 4.15 -1.07 0.96 115.11 123.87 1rwu h GLN 36 Ca -0.01 -0.60 -0.04 0.00 0.77 0.00 0.00 58.65 58.78 1rwu h GLN 36 Cb 1.60 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 1rwu h GLN 36 CO 0.10 1.22 -0.18 0.00 -1.93 0.00 0.00 178.83 178.04 1rwu h ARG 37 N 0.31 0.00 0.00 1.69 3.08 -1.50 -3.32 114.38 114.63 1rwu h ARG 37 Ca -0.11 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.51 1rwu h ARG 37 Cb 1.64 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.62 1rwu h ARG 37 CO 0.18 0.18 -2.49 0.72 -1.07 0.00 0.00 179.97 177.50 1rwu n HIS 38 N -3.32 0.05 -3.37 3.04 8.25 -1.18 -4.97 115.22 113.72 1rwu n HIS 38 Ca 0.00 0.01 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 1rwu n HIS 38 Cb 0.42 -1.01 -0.04 0.00 1.12 0.00 0.00 29.99 30.49 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 3.62 0.23 -1.41 0.00 0.33 -5.00 121.76 117.01 1rwu s ALA 39 Ca -0.37 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1rwu s ALA 39 Cb 0.12 -2.32 0.23 0.00 0.00 0.00 0.00 23.12 21.15 1rwu s ALA 39 CO 0.54 0.31 1.64 -1.00 0.00 0.00 0.00 175.76 177.25 1rwu h PRO 40 N 1.89 0.68 -6.26 0.00 0.13 -1.83 -3.41 132.00 123.21 1rwu h PRO 40 Ca -0.47 -0.29 -0.46 0.00 -0.87 0.00 0.00 66.00 63.91 1rwu h PRO 40 Cb 1.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1rwu h PRO 40 CO 0.67 0.88 -0.39 0.20 -0.23 0.00 0.00 178.00 179.13 1rwu s GLY 41 N -3.92 1.55 0.36 1.56 0.00 -1.26 -5.05 107.32 100.56 1rwu s GLY 41 Ca -0.09 -1.46 -0.08 0.00 0.00 0.00 0.00 44.72 43.09 1rwu s GLY 41 CO 0.83 -1.40 0.68 0.51 0.00 0.00 0.00 173.10 173.72 1rwu s ASP 42 N -4.08 6.50 0.26 1.64 -4.77 -1.26 -4.51 116.67 110.45 1rwu s ASP 42 Ca 0.41 0.97 0.02 0.00 -3.30 0.00 0.00 52.55 50.65 1rwu s ASP 42 Cb -0.08 -2.25 -0.04 0.00 -1.09 0.00 0.00 42.92 39.45 1rwu s ASP 42 CO 0.29 -0.32 0.15 -0.31 0.70 0.00 0.00 175.17 175.69 1rwu s TYR 43 N -2.25 1.45 0.03 2.11 2.02 -1.26 -5.03 117.35 114.43 1rwu s TYR 43 Ca 0.48 -1.38 -0.04 0.00 -0.37 0.00 0.00 57.07 55.77 1rwu s TYR 43 Cb -0.10 -0.74 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 1rwu s TYR 43 CO 0.30 -0.58 0.05 0.99 -1.57 0.00 0.00 175.55 174.74 1rwu s THR 44 N -3.81 0.14 -0.12 -0.71 2.01 -1.26 -4.20 115.64 107.69 1rwu s THR 44 Ca 0.38 -1.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.11 1rwu s THR 44 Cb 0.06 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1rwu s THR 44 CO 0.16 -0.62 0.34 -2.16 -0.69 0.00 0.00 174.62 171.65 1rwu s PRO 45 N -2.42 4.16 -0.66 4.92 0.04 -1.26 -2.73 135.00 137.05 1rwu s PRO 45 Ca -0.07 0.20 -0.21 0.00 0.04 0.00 0.00 61.00 60.96 1rwu s PRO 45 Cb -0.03 -3.38 0.08 0.00 0.04 0.00 0.00 34.50 31.22 1rwu s PRO 45 CO -0.04 0.34 0.90 0.99 0.04 0.00 0.00 177.00 179.23 1rwu s THR 46 N 0.12 4.50 0.15 1.26 2.01 0.96 -4.69 115.64 119.96 1rwu s THR 46 Ca 0.19 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 1rwu s THR 46 Cb -0.14 -4.63 -0.07 0.00 0.01 0.00 0.00 72.50 67.67 1rwu s THR 46 CO 0.07 -1.36 1.07 0.54 -0.69 0.00 0.00 174.62 174.25 1rwu s VAL 47 N 3.55 4.04 0.01 3.82 0.11 -1.26 -1.80 120.40 128.87 1rwu s VAL 47 Ca 0.19 1.73 -0.04 0.00 -2.93 0.00 0.00 61.98 60.93 1rwu s VAL 47 Cb -0.18 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.56 1rwu s VAL 47 CO 0.08 0.28 0.07 -1.59 -3.33 0.00 0.00 175.10 170.60 1rwu s LYS 48 N -0.19 0.43 -1.30 1.54 -2.85 0.11 -4.94 119.74 112.54 1rwu s LYS 48 Ca 0.49 -0.54 -0.18 0.00 -1.00 0.00 0.00 55.97 54.74 1rwu s LYS 48 Cb -0.28 0.17 0.07 0.00 -2.06 0.00 0.00 37.83 35.74 1rwu s LYS 48 CO 0.33 -0.09 1.73 -1.25 0.10 0.00 0.00 175.35 176.16 1rwu s PRO 49 N -1.62 3.99 -0.10 1.78 0.04 -1.26 -2.31 135.00 135.52 1rwu s PRO 49 Ca -0.14 -2.02 -0.24 0.00 0.04 0.00 0.00 61.00 58.64 1rwu s PRO 49 Cb -0.07 -5.52 -0.28 0.00 0.04 0.00 0.00 34.50 28.67 1rwu s PRO 49 CO -0.00 -2.24 0.75 0.77 0.04 0.00 0.00 177.00 176.31 1rwu h SER 50 N 7.56 0.23 -2.55 6.66 0.02 -1.87 -3.47 113.55 120.13 1rwu h SER 50 Ca 0.44 -0.92 -0.55 0.00 -0.84 0.00 0.00 61.79 59.92 1rwu h SER 50 Cb 0.87 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 1rwu h SER 50 CO 1.45 1.27 -0.55 -0.55 -1.14 0.00 0.00 176.83 177.31 1rwu s SER 51 N -6.67 5.56 0.16 3.07 0.15 -1.26 -5.10 113.70 109.61 1rwu s SER 51 Ca -0.18 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.26 1rwu s SER 51 Cb 0.00 -1.45 -0.06 0.00 -1.71 0.00 0.00 66.02 62.80 1rwu s SER 51 CO 0.75 0.04 0.42 -0.54 1.20 0.00 0.00 173.24 175.10 1rwu s LYS 52 N -3.33 3.65 0.00 5.44 3.01 -1.26 -4.64 119.74 122.62 1rwu s LYS 52 Ca 0.32 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 55.26 1rwu s LYS 52 Cb -0.09 -2.80 0.00 0.00 -1.01 0.00 0.00 37.83 33.92 1rwu s LYS 52 CO 0.24 0.43 0.00 0.41 0.51 0.00 0.00 175.35 176.94 1rwu n GLY 53 N 0.00 1.00 3.08 -3.33 0.00 -1.26 -4.64 105.19 100.05 1rwu n GLY 53 Ca -0.02 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 0.00 6.06 -3.72 1.61 2.85 -1.26 -4.95 115.26 115.85 1rwu n ASN 54 Ca 0.00 -3.29 -0.13 0.00 -0.11 0.00 0.00 54.58 51.06 1rwu n ASN 54 Cb 0.00 -1.33 -0.13 0.00 1.24 0.00 0.00 39.78 39.56 1rwu n ASN 54 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1rwu s TYR 55 N -1.99 -0.33 -0.13 1.20 6.14 -1.26 -2.17 117.35 118.81 1rwu s TYR 55 Ca 0.32 0.79 0.03 0.00 0.64 0.00 0.00 57.07 58.85 1rwu s TYR 55 Cb 0.02 0.03 0.01 0.00 0.42 0.00 0.00 41.96 42.43 1rwu s TYR 55 CO 0.05 -0.24 -0.22 -1.01 0.64 0.00 0.00 175.55 174.77 1rwu s HIS 56 N 1.40 2.57 -0.33 4.97 3.76 0.15 -4.56 115.29 123.24 1rwu s HIS 56 Ca -0.08 -1.24 -0.06 0.00 -0.15 0.00 0.00 55.06 53.53 1rwu s HIS 56 Cb -0.11 -1.75 0.03 0.00 1.11 0.00 0.00 32.58 31.87 1rwu s HIS 56 CO -0.08 -0.56 0.09 -1.12 -0.85 0.00 0.00 174.74 172.22 1rwu s SER 57 N 0.74 5.24 0.15 1.40 0.01 -0.98 -1.72 113.70 118.55 1rwu s SER 57 Ca -0.09 -1.07 0.11 0.00 1.31 0.00 0.00 55.95 56.21 1rwu s SER 57 Cb -0.16 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.17 1rwu s SER 57 CO 0.00 -0.30 -0.25 0.68 0.41 0.00 0.00 173.24 173.78 1rwu s VAL 58 N 1.41 2.33 -0.21 3.43 -7.23 -0.90 0.06 120.40 119.29 1rwu s VAL 58 Ca -0.01 -1.83 -0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1rwu s VAL 58 Cb -0.19 -2.06 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1rwu s VAL 58 CO 0.02 0.03 -0.14 -0.94 -0.31 0.00 0.00 175.10 173.76 1rwu s SER 59 N -2.26 3.68 -0.12 4.85 1.04 -0.75 0.55 113.70 120.69 1rwu s SER 59 Ca 0.16 -0.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.70 1rwu s SER 59 Cb -0.09 -1.56 -0.04 0.00 0.10 0.00 0.00 66.02 64.42 1rwu s SER 59 CO 0.07 -0.05 0.42 -0.51 0.98 0.00 0.00 173.24 174.16 1rwu s ILE 60 N 1.31 5.21 -0.06 -1.02 2.07 -0.02 -0.03 121.20 128.66 1rwu s ILE 60 Ca 0.03 0.83 -0.24 0.00 -1.41 0.00 0.00 60.65 59.86 1rwu s ILE 60 Cb -0.15 -3.76 -0.04 0.00 0.13 0.00 0.00 42.46 38.65 1rwu s ILE 60 CO -0.09 0.36 0.72 -0.89 -1.91 0.00 0.00 174.94 173.13 1rwu s THR 61 N 0.47 5.03 -0.31 4.00 2.01 -1.11 -2.24 115.64 123.49 1rwu s THR 61 Ca 0.23 1.48 -0.02 0.00 0.31 0.00 0.00 61.69 63.70 1rwu s THR 61 Cb -0.15 -4.06 0.12 0.00 0.01 0.00 0.00 72.50 68.43 1rwu s THR 61 CO 0.09 0.24 0.19 -0.63 -0.69 0.00 0.00 174.62 173.82 1rwu s ILE 62 N 0.83 -0.08 -0.89 1.82 1.01 -1.06 -4.49 121.20 118.34 1rwu s ILE 62 Ca 0.38 -0.99 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 1rwu s ILE 62 Cb -0.18 -0.99 0.06 0.00 0.01 0.00 0.00 42.46 41.36 1rwu s ILE 62 CO 0.19 -0.75 1.30 0.21 0.00 0.00 0.00 174.94 175.89 1rwu s ASN 63 N 1.81 6.39 -0.03 3.58 2.47 -1.26 -0.12 114.94 127.78 1rwu s ASN 63 Ca 0.12 -1.20 0.06 0.00 0.42 0.00 0.00 52.86 52.26 1rwu s ASN 63 Cb -0.18 -2.52 -0.02 0.00 -1.45 0.00 0.00 41.25 37.08 1rwu s ASN 63 CO -0.24 -1.53 -0.21 0.00 -3.72 0.00 0.00 177.10 171.40 1rwu s ALA 64 N 4.75 2.38 -0.39 1.71 0.00 -0.65 -4.78 121.76 124.79 1rwu s ALA 64 Ca 0.38 -1.07 0.25 0.00 0.00 0.00 0.00 51.96 51.53 1rwu s ALA 64 Cb -0.05 -0.73 1.04 0.00 0.00 0.00 0.00 23.12 23.39 1rwu s ALA 64 CO -0.01 0.54 1.75 1.79 0.00 0.00 0.00 175.76 179.84 1rwu h THR 65 N 4.41 0.00 -3.41 0.00 1.35 -1.83 -2.32 112.91 111.10 1rwu h THR 65 Ca -0.45 -0.26 -0.37 0.00 -0.55 0.00 0.00 66.41 64.79 1rwu h THR 65 Cb 1.13 1.02 -0.16 0.00 -1.73 0.00 0.00 68.15 68.42 1rwu h THR 65 CO 0.48 0.00 -0.73 -1.38 -0.25 0.00 0.00 175.52 173.64 1rwu s HIS 66 N -3.37 1.33 -2.01 4.73 -3.43 -1.26 -1.81 115.29 109.46 1rwu s HIS 66 Ca 0.04 -0.67 0.27 0.00 -0.80 0.00 0.00 55.06 53.90 1rwu s HIS 66 Cb 0.09 -0.68 0.87 0.00 -1.43 0.00 0.00 32.58 31.44 1rwu s HIS 66 CO 0.41 0.12 1.64 1.51 -2.00 0.00 0.00 174.74 176.42 1rwu n ILE 67 N 0.07 0.00 -0.01 -5.38 3.06 -1.26 -4.13 119.36 111.70 1rwu n ILE 67 Ca -0.12 -0.17 -0.17 0.00 -2.50 0.00 0.00 62.75 59.79 1rwu n ILE 67 Cb 0.59 0.42 -0.09 0.00 0.54 0.00 0.00 39.64 41.10 1rwu n ILE 67 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1rwu h GLU 68 N 1.59 0.49 -0.17 9.51 3.07 -1.96 -2.83 114.58 124.28 1rwu h GLU 68 Ca 0.00 -0.44 -0.03 0.00 -0.50 0.00 0.00 59.36 58.38 1rwu h GLU 68 Cb 0.50 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1rwu h GLU 68 CO 0.00 1.08 -0.03 0.37 -1.40 0.00 0.00 179.01 179.03 1rwu h GLN 69 N 0.05 0.32 -0.10 2.33 4.15 -2.00 -2.75 115.11 117.10 1rwu h GLN 69 Ca -0.05 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.23 1rwu h GLN 69 Cb 1.23 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1rwu h GLN 69 CO 0.11 0.57 -0.05 -0.24 -1.93 0.00 0.00 178.83 177.29 1rwu h VAL 70 N 0.04 1.10 -0.18 2.39 3.04 -1.73 -1.85 116.25 119.05 1rwu h VAL 70 Ca 0.04 -0.42 -0.03 0.00 -1.01 0.00 0.00 66.70 65.28 1rwu h VAL 70 Cb 0.44 1.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1rwu h VAL 70 CO 0.01 0.13 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.61 1rwu h GLU 71 N 0.14 0.33 -0.41 4.17 4.22 -1.36 -1.99 114.58 119.69 1rwu h GLU 71 Ca 0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 1rwu h GLU 71 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1rwu h GLU 71 CO 0.01 0.57 0.19 1.15 -2.18 0.00 0.00 179.01 178.75 1rwu h THR 72 N 0.07 1.14 -0.59 0.32 2.02 -1.17 -1.92 112.91 112.77 1rwu h THR 72 Ca 0.05 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1rwu h THR 72 Cb 0.43 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1rwu h THR 72 CO 0.01 0.16 0.03 -0.07 0.37 0.00 0.00 175.52 176.03 1rwu h LEU 73 N 0.56 0.98 -0.09 2.58 4.07 -1.05 0.29 115.31 122.65 1rwu h LEU 73 Ca 0.14 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1rwu h LEU 73 Cb 0.06 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.54 1rwu h LEU 73 CO -0.02 1.02 0.04 0.22 -1.08 0.00 0.00 178.44 178.61 1rwu h TYR 74 N 0.93 0.13 0.00 1.13 3.20 -0.61 -1.10 116.97 120.66 1rwu h TYR 74 Ca 0.17 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1rwu h TYR 74 Cb 0.50 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1rwu h TYR 74 CO 0.03 0.24 -0.35 1.05 -1.64 0.00 0.00 178.16 177.49 1rwu h GLU 75 N -0.01 0.00 0.01 1.82 4.11 -1.36 0.71 114.58 119.85 1rwu h GLU 75 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1rwu h GLU 75 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1rwu h GLU 75 CO -0.00 0.35 -0.00 0.93 0.07 0.00 0.00 179.01 180.36 1rwu h GLU 76 N 0.00 -0.01 0.00 1.06 5.08 -0.67 -2.73 114.58 117.30 1rwu h GLU 76 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1rwu h GLU 76 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1rwu h GLU 76 CO 0.05 0.66 -0.46 1.37 -1.00 0.00 0.00 179.01 179.62 1rwu h LEU 77 N -0.68 0.00 -4.06 1.33 8.10 -1.23 -3.18 115.31 115.59 1rwu h LEU 77 Ca -0.00 0.00 -0.68 0.00 0.11 0.00 0.00 57.88 57.31 1rwu h LEU 77 Cb 0.67 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.59 1rwu h LEU 77 CO 0.00 0.46 0.78 0.61 -4.11 0.00 0.00 178.44 176.18 1rwu n GLY 78 N 0.75 5.89 1.02 0.17 0.00 0.24 -4.44 105.19 108.82 1rwu n GLY 78 Ca 0.01 -2.35 0.11 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.88 2.31 -1.86 1.61 4.81 -1.03 -4.82 118.16 118.30 1rwu n LYS 79 Ca 0.61 -2.11 -0.38 0.00 -0.87 0.00 0.00 58.31 55.56 1rwu n LYS 79 Cb 0.65 -1.46 0.03 0.00 0.02 0.00 0.00 35.03 34.27 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 -1.47 2.23 0.49 3.15 1.09 -1.26 -4.89 121.20 120.55 1rwu s ILE 80 Ca 0.33 0.18 0.15 0.00 -1.10 0.00 0.00 60.65 60.21 1rwu s ILE 80 Cb 0.20 -3.09 0.25 0.00 -1.06 0.00 0.00 42.46 38.76 1rwu s ILE 80 CO 0.28 0.00 2.10 0.44 -0.10 0.00 0.00 174.94 177.67 1rwu h ASP 81 N 1.68 0.03 -3.19 3.58 5.19 -2.00 -3.44 116.42 118.27 1rwu h ASP 81 Ca -0.51 -0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.48 1rwu h ASP 81 Cb 1.29 -0.01 0.21 0.00 0.18 0.00 0.00 39.33 41.00 1rwu h ASP 81 CO 0.58 0.07 -0.02 -0.51 -3.12 0.00 0.00 179.24 176.25 1rwu s ILE 82 N -4.99 1.90 -0.06 0.35 1.10 -1.26 -4.85 121.20 113.39 1rwu s ILE 82 Ca -0.05 0.00 -0.30 0.00 -0.51 0.00 0.00 60.65 59.80 1rwu s ILE 82 Cb 0.17 -2.07 -0.06 0.00 0.15 0.00 0.00 42.46 40.64 1rwu s ILE 82 CO 0.68 0.00 1.85 -0.69 -2.11 0.00 0.00 174.94 174.67 1rwu s VAL 83 N -2.44 3.29 0.25 4.00 1.01 -1.26 -4.91 120.40 120.34 1rwu s VAL 83 Ca 0.69 0.35 0.11 0.00 0.00 0.00 0.00 61.98 63.12 1rwu s VAL 83 Cb -0.23 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1rwu s VAL 83 CO 0.64 -0.06 -0.20 0.00 0.00 0.00 0.00 175.10 175.48 1rwu s ARG 84 N 4.57 1.57 0.12 2.72 1.04 -1.26 -1.84 118.95 125.88 1rwu s ARG 84 Ca 0.83 -1.68 -0.22 0.00 -1.04 0.00 0.00 55.73 53.63 1rwu s ARG 84 Cb -0.36 -1.65 0.06 0.00 -2.04 0.00 0.00 34.95 30.95 1rwu s ARG 84 CO 0.35 0.32 0.54 1.41 -0.04 0.00 0.00 175.30 177.88 1rwu s MET 85 N -3.34 1.17 0.03 3.89 1.75 0.16 -4.92 119.30 118.04 1rwu s MET 85 Ca 0.26 -0.45 0.02 0.00 -1.25 0.00 0.00 55.69 54.28 1rwu s MET 85 Cb -0.05 0.53 -0.02 0.00 2.84 0.00 0.00 34.83 38.14 1rwu s MET 85 CO 0.12 -0.48 -0.08 0.54 -0.65 0.00 0.00 175.02 174.48 1rwu s VAL 86 N -3.39 0.56 0.00 10.11 0.11 -1.26 -0.69 120.40 125.84 1rwu s VAL 86 Ca -0.00 -0.86 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1rwu s VAL 86 Cb -0.00 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1rwu s VAL 86 CO -0.10 -0.23 0.00 0.18 -3.33 0.00 0.00 175.10 171.63