#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynr h GLU 2 N 0.00 1.04 -0.39 -3.83 4.81 -1.96 -0.44 114.58 113.81 1ynr h GLU 2 Ca 0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1ynr h GLU 2 Cb 0.00 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 1ynr h GLU 2 CO 0.00 0.69 -0.36 1.96 -0.73 0.00 0.00 179.01 180.57 1ynr h GLN 3 N 1.07 0.91 -0.25 1.92 1.08 -2.04 -1.03 115.11 116.77 1ynr h GLN 3 Ca 0.32 -0.47 0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1ynr h GLN 3 Cb -0.04 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1ynr h GLN 3 CO -0.10 1.12 0.10 1.25 -0.95 0.00 0.00 178.83 180.25 1ynr h LEU 4 N 0.75 0.14 -0.45 1.46 5.85 -1.93 0.72 115.31 121.85 1ynr h LEU 4 Ca 0.07 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1ynr h LEU 4 Cb 0.95 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 1ynr h LEU 4 CO 0.09 0.11 0.03 0.00 -0.34 0.00 0.00 178.44 178.33 1ynr h ALA 5 N 1.14 0.45 -0.05 1.25 0.00 -0.82 -0.43 119.26 120.80 1ynr h ALA 5 Ca 0.10 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ynr h ALA 5 Cb 0.05 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ynr h ALA 5 CO -0.09 -0.37 0.03 0.87 0.00 0.00 0.00 179.25 179.69 1ynr h LYS 6 N 0.15 0.07 -0.77 0.00 1.57 -0.92 -1.16 116.57 115.50 1ynr h LYS 6 Ca 0.23 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 1ynr h LYS 6 Cb 0.32 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 1ynr h LYS 6 CO -0.35 0.14 0.40 0.37 -0.57 0.00 0.00 179.45 179.44 1ynr h GLN 7 N -0.02 0.62 0.00 3.15 5.75 -0.48 -1.51 115.11 122.63 1ynr h GLN 7 Ca 0.02 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1ynr h GLN 7 Cb 0.09 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.50 1ynr h GLN 7 CO -0.00 0.41 0.00 0.87 -2.65 0.00 0.00 178.83 177.46 1ynr h LYS 8 N 0.64 0.00 0.00 1.69 1.79 -1.00 -3.46 116.57 116.23 1ynr h LYS 8 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1ynr h LYS 8 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1ynr h LYS 8 CO -0.29 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.49 1ynr n GLY 9 N 0.21 0.83 0.36 3.86 0.00 -0.57 -4.94 105.19 104.94 1ynr n GLY 9 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1ynr n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynr n MET 11 N -4.51 0.33 0.02 0.00 2.81 -1.25 -1.28 117.12 113.24 1ynr n MET 11 Ca 0.14 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1ynr n MET 11 Cb 0.34 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.66 1ynr n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ynr h ALA 12 N 3.09 1.39 0.00 3.04 0.00 -1.61 -3.34 119.26 121.83 1ynr h ALA 12 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ynr h ALA 12 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ynr h ALA 12 CO 0.00 0.42 -0.83 0.00 0.00 0.00 0.00 179.25 178.84 1ynr s HIS 14 N -2.02 1.76 0.23 0.00 4.02 -0.41 -0.85 115.29 118.02 1ynr s HIS 14 Ca -0.00 -0.36 0.11 0.00 1.02 0.00 0.00 55.06 55.83 1ynr s HIS 14 Cb 0.04 -1.08 -0.05 0.00 -1.02 0.00 0.00 32.58 30.47 1ynr s HIS 14 CO 0.23 0.04 -0.20 0.34 1.02 0.00 0.00 174.74 176.18 1ynr s ASP 15 N -0.89 3.25 0.24 1.40 2.15 -1.26 -4.18 116.67 117.38 1ynr s ASP 15 Ca 0.07 -0.96 -0.04 0.00 0.43 0.00 0.00 52.55 52.05 1ynr s ASP 15 Cb -0.08 -0.24 0.41 0.00 -0.30 0.00 0.00 42.92 42.70 1ynr s ASP 15 CO 0.01 0.02 1.80 -0.07 -0.17 0.00 0.00 175.17 176.75 1ynr h LEU 16 N 2.72 0.61 0.00 -1.34 3.38 -1.94 -0.31 115.31 118.44 1ynr h LEU 16 Ca -0.42 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ynr h LEU 16 Cb 1.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ynr h LEU 16 CO 0.56 0.33 -0.79 1.17 0.09 0.00 0.00 178.44 179.79 1ynr n LYS 17 N -4.79 0.46 -2.27 1.13 4.81 -1.26 -1.24 118.16 115.00 1ynr n LYS 17 Ca 0.14 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.25 1ynr n LYS 17 Cb 0.30 -0.90 -0.02 0.00 0.02 0.00 0.00 35.03 34.44 1ynr n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ynr s ALA 18 N -1.79 2.96 -0.44 3.14 0.00 -1.26 -4.79 121.76 119.57 1ynr s ALA 18 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 1ynr s ALA 18 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1ynr s ALA 18 CO 0.00 -0.44 0.36 0.15 0.00 0.00 0.00 175.76 175.83 1ynr s LYS 19 N -4.09 2.99 0.00 0.00 1.02 -1.26 -4.00 119.74 114.39 1ynr s LYS 19 Ca 0.60 -1.14 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1ynr s LYS 19 Cb -0.12 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.14 1ynr s LYS 19 CO 0.34 -0.89 0.00 1.63 -0.92 0.00 0.00 175.35 175.51 1ynr n LYS 20 N 5.23 0.00 0.01 1.68 5.02 -1.26 -4.99 118.16 123.86 1ynr n LYS 20 Ca -0.11 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.00 1ynr n LYS 20 Cb 0.46 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.34 1ynr n LYS 20 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ynr h VAL 21 N 0.00 1.50 -1.66 -0.18 2.07 -1.67 -3.46 116.25 112.84 1ynr h VAL 21 Ca 0.00 -2.25 -0.44 0.00 0.82 0.00 0.00 66.70 64.83 1ynr h VAL 21 Cb 0.00 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ynr h VAL 21 CO 0.00 0.64 -0.32 -0.83 0.02 0.00 0.00 177.57 177.07 1ynr s GLY 22 N -4.19 1.76 0.67 2.17 0.00 -0.03 -5.03 107.32 102.66 1ynr s GLY 22 Ca -0.14 -1.57 -0.17 0.00 0.00 0.00 0.00 44.72 42.83 1ynr s GLY 22 CO 0.81 -1.45 1.28 -1.55 0.00 0.00 0.00 173.10 172.19 1ynr n PRO 23 N -1.68 1.01 -1.91 2.90 -0.04 -1.26 -4.71 135.00 129.31 1ynr n PRO 23 Ca 0.03 0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 63.48 1ynr n PRO 23 Cb 0.59 -2.52 -0.01 0.00 -0.04 0.00 0.00 33.50 31.52 1ynr n PRO 23 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ynr s ALA 24 N -1.47 3.55 0.25 0.55 0.00 -1.26 -4.55 121.76 118.84 1ynr s ALA 24 Ca 0.82 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 54.23 1ynr s ALA 24 Cb -0.37 -3.57 0.50 0.00 0.00 0.00 0.00 23.12 19.68 1ynr s ALA 24 CO 0.41 -0.92 1.75 1.88 0.00 0.00 0.00 175.76 178.88 1ynr h TYR 25 N 3.12 0.67 -0.75 0.00 0.99 -1.03 -0.30 116.97 119.68 1ynr h TYR 25 Ca -0.50 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.33 1ynr h TYR 25 Cb 1.23 -0.17 -0.05 0.00 1.00 0.00 0.00 36.73 38.74 1ynr h TYR 25 CO 0.54 0.14 0.49 0.00 -0.00 0.00 0.00 178.16 179.33 1ynr h ALA 26 N 1.55 1.71 -0.23 3.88 0.00 -1.39 0.14 119.26 124.92 1ynr h ALA 26 Ca 0.44 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 1ynr h ALA 26 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ynr h ALA 26 CO -0.37 0.16 -0.61 -0.44 0.00 0.00 0.00 179.25 177.99 1ynr h ASP 27 N 0.76 0.93 -0.04 0.00 3.45 -1.34 -1.34 116.42 118.83 1ynr h ASP 27 Ca 0.33 -0.57 0.01 0.00 0.43 0.00 0.00 57.03 57.23 1ynr h ASP 27 Cb 0.30 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 1ynr h ASP 27 CO -0.11 1.33 -0.03 0.58 -1.57 0.00 0.00 179.24 179.44 1ynr h VAL 28 N 0.56 0.90 -0.58 -1.35 2.07 -0.87 -1.28 116.25 115.70 1ynr h VAL 28 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1ynr h VAL 28 Cb 1.23 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 1ynr h VAL 28 CO 0.13 0.00 0.19 0.00 0.02 0.00 0.00 177.57 177.91 1ynr h ALA 29 N 1.00 0.73 -0.26 1.67 0.00 -0.96 -1.88 119.26 119.55 1ynr h ALA 29 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ynr h ALA 29 Cb 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1ynr h ALA 29 CO -0.07 -0.23 0.12 0.87 0.00 0.00 0.00 179.25 179.95 1ynr h LYS 30 N 0.36 0.25 -0.92 0.00 1.57 -1.00 -0.21 116.57 116.61 1ynr h LYS 30 Ca 0.29 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ynr h LYS 30 Cb 0.37 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1ynr h LYS 30 CO -0.31 0.16 0.56 -0.22 -0.57 0.00 0.00 179.45 179.07 1ynr h LYS 31 N 0.25 1.25 -0.19 3.15 3.64 -0.66 -3.20 116.57 120.82 1ynr h LYS 31 Ca 0.11 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ynr h LYS 31 Cb 0.05 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1ynr h LYS 31 CO -0.09 0.87 0.00 0.66 -2.27 0.00 0.00 179.45 178.62 1ynr n TYR 32 N -4.38 0.23 -1.62 1.91 4.02 -0.76 -4.93 117.16 111.63 1ynr n TYR 32 Ca 0.10 -0.18 -0.48 0.00 -0.01 0.00 0.00 57.90 57.34 1ynr n TYR 32 Cb 0.06 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.32 1ynr n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ynr n ALA 33 N 0.92 1.10 -0.74 -0.72 0.00 -0.10 -1.95 120.51 119.02 1ynr n ALA 33 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ynr n ALA 33 Cb 0.44 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.30 1ynr n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ynr n GLY 34 N 5.03 0.84 3.68 0.00 0.00 -1.26 -5.01 105.19 108.48 1ynr n GLY 34 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1ynr n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ynr s ARG 35 N -0.26 4.39 0.58 1.61 1.81 -0.82 -5.02 118.95 121.24 1ynr s ARG 35 Ca 0.00 1.28 -0.15 0.00 -1.72 0.00 0.00 55.73 55.14 1ynr s ARG 35 Cb 0.00 -3.55 -0.04 0.00 -0.45 0.00 0.00 34.95 30.90 1ynr s ARG 35 CO 0.00 -0.32 1.03 0.15 -0.68 0.00 0.00 175.30 175.48 1ynr s LYS 36 N 2.06 3.49 -0.10 3.54 1.02 -1.26 -2.21 119.74 126.28 1ynr s LYS 36 Ca 0.45 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.51 1ynr s LYS 36 Cb -0.18 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1ynr s LYS 36 CO 0.16 -0.66 0.00 -0.25 -0.92 0.00 0.00 175.35 173.68 1ynr n ASP 37 N -2.07 -4.48 -0.30 2.83 10.43 -1.26 -4.89 116.55 116.81 1ynr n ASP 37 Ca 0.08 0.02 0.04 0.00 2.57 0.00 0.00 54.79 57.50 1ynr n ASP 37 Cb 0.53 -2.06 0.18 0.00 1.84 0.00 0.00 41.12 41.61 1ynr n ASP 37 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ynr h ALA 38 N 0.00 1.21 0.05 2.24 0.00 -1.76 -0.56 119.26 120.44 1ynr h ALA 38 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ynr h ALA 38 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ynr h ALA 38 CO 0.03 0.09 -0.02 0.28 0.00 0.00 0.00 179.25 179.63 1ynr h VAL 39 N 0.79 1.08 -0.56 0.00 2.07 -1.90 -0.47 116.25 117.27 1ynr h VAL 39 Ca 0.41 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ynr h VAL 39 Cb 0.40 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1ynr h VAL 39 CO -0.26 0.11 0.29 0.44 0.02 0.00 0.00 177.57 178.17 1ynr h ASP 40 N -0.25 0.71 0.54 0.57 3.32 -1.92 0.63 116.42 120.03 1ynr h ASP 40 Ca -0.01 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1ynr h ASP 40 Cb 0.22 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1ynr h ASP 40 CO 0.01 0.62 -0.43 0.22 -1.72 0.00 0.00 179.24 177.94 1ynr h TYR 41 N 0.75 -1.17 -0.28 4.55 3.20 -1.04 -2.41 116.97 120.57 1ynr h TYR 41 Ca 0.19 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1ynr h TYR 41 Cb 0.08 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1ynr h TYR 41 CO -0.01 -0.62 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.76 1ynr h LEU 42 N -0.96 0.41 -0.44 2.82 3.38 -0.94 -2.43 115.31 117.16 1ynr h LEU 42 Ca -0.06 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1ynr h LEU 42 Cb 0.81 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1ynr h LEU 42 CO -0.00 0.53 0.19 0.00 0.09 0.00 0.00 178.44 179.25 1ynr h ALA 43 N 1.53 0.54 -0.66 1.53 0.00 -0.83 0.18 119.26 121.55 1ynr h ALA 43 Ca 0.09 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1ynr h ALA 43 Cb 0.38 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 1ynr h ALA 43 CO 0.02 -0.18 0.32 0.78 0.00 0.00 0.00 179.25 180.19 1ynr h GLY 44 N 0.39 0.98 1.59 0.00 0.00 -0.97 -1.70 103.07 103.37 1ynr h GLY 44 Ca 0.20 -0.20 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1ynr h GLY 44 CO -0.17 0.06 -0.55 0.50 0.00 0.00 0.00 176.54 176.39 1ynr h LYS 45 N 0.56 0.43 -0.50 4.80 1.79 -1.06 -0.64 116.57 121.94 1ynr h LYS 45 Ca 0.32 -0.27 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 1ynr h LYS 45 Cb 0.33 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1ynr h LYS 45 CO -0.26 0.86 -0.05 0.82 -1.08 0.00 0.00 179.45 179.75 1ynr h ILE 46 N 0.33 1.27 -0.10 1.86 2.04 -0.70 0.24 117.51 122.45 1ynr h ILE 46 Ca 0.01 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 1ynr h ILE 46 Cb 1.06 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1ynr h ILE 46 CO 0.10 0.41 -0.15 0.11 0.00 0.00 0.00 178.15 178.61 1ynr h LYS 47 N 0.78 0.28 0.00 2.37 1.57 -1.20 -3.31 116.57 117.07 1ynr h LYS 47 Ca 0.14 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ynr h LYS 47 Cb 0.59 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ynr h LYS 47 CO 0.04 0.74 -1.67 1.63 -0.57 0.00 0.00 179.45 179.61 1ynr n LYS 48 N -4.58 0.46 0.00 3.15 5.02 -0.26 -1.31 118.16 120.64 1ynr n LYS 48 Ca -0.07 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1ynr n LYS 48 Cb 0.37 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1ynr n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ynr n GLY 49 N 1.33 -0.17 0.00 0.72 0.00 0.85 -3.83 105.19 104.09 1ynr n GLY 49 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1ynr n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynr n GLY 50 N 0.00 -1.37 3.55 -0.02 0.00 -0.71 -4.72 105.19 101.93 1ynr n GLY 50 Ca 0.00 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1ynr n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ynr s SER 51 N -1.84 0.28 0.00 1.61 1.04 -1.26 0.12 113.70 113.65 1ynr s SER 51 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1ynr s SER 51 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1ynr s SER 51 CO 0.00 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1ynr n GLY 52 N -0.45 0.97 0.10 7.32 0.00 -0.47 -4.89 105.19 107.77 1ynr n GLY 52 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1ynr n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ynr h VAL 53 N 0.00 0.98 0.00 1.61 2.07 -1.95 -3.42 116.25 115.54 1ynr h VAL 53 Ca 0.00 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 64.79 1ynr h VAL 53 Cb 0.00 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1ynr h VAL 53 CO 0.00 0.71 -0.46 0.79 0.02 0.00 0.00 177.57 178.63 1ynr n TRP 54 N -3.27 0.00 -3.91 1.57 7.02 -1.26 -5.12 117.44 112.47 1ynr n TRP 54 Ca -0.18 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.31 1ynr n TRP 54 Cb 1.04 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.94 1ynr n TRP 54 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ynr n GLY 55 N 1.22 0.47 0.76 6.99 0.00 -1.26 -5.03 105.19 108.33 1ynr n GLY 55 Ca 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1ynr n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ynr n SER 56 N -0.78 2.34 -4.68 1.61 3.41 -1.26 -1.37 113.62 112.89 1ynr n SER 56 Ca 0.02 -1.78 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1ynr n SER 56 Cb 0.36 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1ynr n SER 56 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ynr s VAL 57 N -1.94 4.77 0.21 -3.33 1.01 -1.26 -4.81 120.40 115.06 1ynr s VAL 57 Ca 0.33 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 64.03 1ynr s VAL 57 Cb 0.20 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1ynr s VAL 57 CO 0.31 -0.03 1.10 -2.84 0.00 0.00 0.00 175.10 173.65 1ynr s PRO 58 N 2.22 4.61 0.07 2.72 0.02 -1.26 -4.69 135.00 138.69 1ynr s PRO 58 Ca 0.47 1.74 -0.30 0.00 0.02 0.00 0.00 61.00 62.93 1ynr s PRO 58 Cb -0.18 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.05 1ynr s PRO 58 CO 0.15 0.12 1.07 1.41 -0.33 0.00 0.00 177.00 179.43 1ynr s MET 59 N -0.72 4.55 0.73 5.54 1.75 0.12 -4.93 119.30 126.35 1ynr s MET 59 Ca 0.48 1.59 -0.11 0.00 -1.25 0.00 0.00 55.69 56.40 1ynr s MET 59 Cb -0.30 -3.38 0.03 0.00 2.84 0.00 0.00 34.83 34.02 1ynr s MET 59 CO 0.37 -0.05 1.07 -2.14 -0.65 0.00 0.00 175.02 173.62 1ynr s PRO 60 N 0.63 2.62 0.76 4.11 0.02 -1.26 -1.73 135.00 140.14 1ynr s PRO 60 Ca 0.53 0.99 -0.12 0.00 0.02 0.00 0.00 61.00 62.41 1ynr s PRO 60 Cb -0.25 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.37 1ynr s PRO 60 CO 0.30 -1.34 1.12 -1.25 -0.33 0.00 0.00 177.00 175.50 1ynr s PRO 61 N -5.01 2.20 0.09 5.54 0.04 -1.25 -4.04 135.00 132.57 1ynr s PRO 61 Ca 0.59 1.37 0.09 0.00 0.04 0.00 0.00 61.00 63.09 1ynr s PRO 61 Cb -0.15 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 1ynr s PRO 61 CO 0.55 -1.71 -0.24 -0.65 0.04 0.00 0.00 177.00 174.99 1ynr s GLN 62 N -4.50 1.36 -1.29 4.56 -1.52 -0.43 -4.92 119.66 112.93 1ynr s GLN 62 Ca 0.65 -1.18 -0.15 0.00 -1.95 0.00 0.00 55.36 52.74 1ynr s GLN 62 Cb -0.20 -1.67 -0.03 0.00 -0.22 0.00 0.00 33.01 30.89 1ynr s GLN 62 CO 0.51 0.40 2.26 -1.71 -0.25 0.00 0.00 175.29 176.50 1ynr n ASN 63 N 1.27 4.34 -4.08 5.90 5.15 -1.26 -4.80 115.26 121.78 1ynr n ASN 63 Ca -0.18 -2.73 -0.18 0.00 -0.60 0.00 0.00 54.58 50.89 1ynr n ASN 63 Cb 0.53 -1.48 -0.13 0.00 -0.53 0.00 0.00 39.78 38.17 1ynr n ASN 63 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1ynr s VAL 64 N 3.48 0.85 0.93 3.44 -7.23 -1.26 -5.07 120.40 115.53 1ynr s VAL 64 Ca 0.52 -0.77 -0.13 0.00 -1.81 0.00 0.00 61.98 59.79 1ynr s VAL 64 Cb 0.14 -0.77 0.15 0.00 0.56 0.00 0.00 36.38 36.47 1ynr s VAL 64 CO -0.03 0.01 1.16 0.42 -0.31 0.00 0.00 175.10 176.35 1ynr s THR 65 N -0.69 1.96 0.24 5.32 -4.23 -1.26 -4.87 115.64 112.10 1ynr s THR 65 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1ynr s THR 65 Cb -0.06 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.04 1ynr s THR 65 CO 0.00 0.00 1.66 -0.78 -0.54 0.00 0.00 174.62 174.96 1ynr h ASP 66 N -1.57 0.69 -0.37 3.99 1.82 -1.99 -1.40 116.42 117.59 1ynr h ASP 66 Ca -0.49 -0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 55.89 1ynr h ASP 66 Cb 1.32 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 1ynr h ASP 66 CO 0.57 0.90 0.16 0.00 -1.61 0.00 0.00 179.24 179.26 1ynr h ALA 67 N 1.15 0.48 -0.89 -0.78 0.00 -1.99 -1.61 119.26 115.61 1ynr h ALA 67 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ynr h ALA 67 Cb 0.71 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ynr h ALA 67 CO 0.05 0.07 0.48 0.93 0.00 0.00 0.00 179.25 180.79 1ynr h GLU 68 N 0.45 1.25 -0.66 0.00 5.08 -1.87 -1.13 114.58 117.70 1ynr h GLU 68 Ca 0.12 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ynr h GLU 68 Cb 0.16 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ynr h GLU 68 CO -0.01 0.92 0.34 0.00 -1.00 0.00 0.00 179.01 179.26 1ynr h ALA 69 N 1.26 0.85 -0.49 3.43 0.00 -0.98 -0.90 119.26 122.43 1ynr h ALA 69 Ca 0.31 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ynr h ALA 69 Cb 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ynr h ALA 69 CO -0.05 0.39 -0.11 0.87 0.00 0.00 0.00 179.25 180.35 1ynr h LYS 70 N 0.91 0.95 -0.33 0.00 1.57 -1.05 -0.70 116.57 117.92 1ynr h LYS 70 Ca 0.23 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1ynr h LYS 70 Cb 0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1ynr h LYS 70 CO -0.03 1.02 0.14 1.96 -0.57 0.00 0.00 179.45 181.97 1ynr h GLN 71 N 0.80 0.29 -0.67 3.15 4.20 -0.93 -0.65 115.11 121.31 1ynr h GLN 71 Ca 0.13 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1ynr h GLN 71 Cb 0.67 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1ynr h GLN 71 CO 0.05 0.19 0.12 -0.07 -0.67 0.00 0.00 178.83 178.45 1ynr h LEU 72 N 0.30 1.06 -0.18 1.46 3.38 -1.06 -1.02 115.31 119.25 1ynr h LEU 72 Ca 0.14 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1ynr h LEU 72 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1ynr h LEU 72 CO -0.12 1.04 0.06 0.00 0.09 0.00 0.00 178.44 179.52 1ynr h ALA 73 N 1.05 0.20 -0.74 1.53 0.00 -0.96 -0.79 119.26 119.55 1ynr h ALA 73 Ca 0.20 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1ynr h ALA 73 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ynr h ALA 73 CO 0.01 -0.37 0.23 1.96 0.00 0.00 0.00 179.25 181.08 1ynr h GLN 74 N 0.15 1.16 -0.32 0.00 4.20 -0.84 -1.38 115.11 118.08 1ynr h GLN 74 Ca 0.08 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1ynr h GLN 74 Cb 0.04 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1ynr h GLN 74 CO -0.08 0.98 0.15 2.35 -0.67 0.00 0.00 178.83 181.57 1ynr h TRP 75 N 1.11 0.46 -0.57 2.96 7.01 -1.09 -2.70 115.95 123.13 1ynr h TRP 75 Ca 0.24 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.26 1ynr h TRP 75 Cb 0.31 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 1ynr h TRP 75 CO 0.03 0.41 0.31 0.82 -2.79 0.00 0.00 178.44 177.21 1ynr h ILE 76 N 0.37 0.99 -0.02 2.65 2.04 -0.81 -1.61 117.51 121.12 1ynr h ILE 76 Ca 0.11 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.77 1ynr h ILE 76 Cb 0.12 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1ynr h ILE 76 CO -0.01 0.11 0.02 -0.07 0.00 0.00 0.00 178.15 178.20 1ynr h LEU 77 N 0.60 0.00 -0.12 1.44 3.38 -1.14 -1.99 115.31 117.48 1ynr h LEU 77 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ynr h LEU 77 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ynr h LEU 77 CO -0.15 0.00 -0.04 -1.54 0.09 0.00 0.00 178.44 176.81 1ynr n SER 78 N -3.93 0.23 -3.90 -0.43 3.41 -0.61 -4.51 113.62 103.89 1ynr n SER 78 Ca -0.02 -0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 57.58 1ynr n SER 78 Cb 0.11 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1ynr n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1ynr n ILE 79 N -1.03 3.90 -1.93 -1.33 2.08 -0.75 -5.11 119.36 115.20 1ynr n ILE 79 Ca 0.17 -3.77 0.00 0.00 0.56 0.00 0.00 62.75 59.71 1ynr n ILE 79 Cb 0.22 -2.48 0.00 0.00 -0.75 0.00 0.00 39.64 36.64 1ynr n ILE 79 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40