#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 1.03 -0.27 -3.83 4.81 -1.97 -1.64 114.58 112.71 1ynr h GLU 2 Ca 0.00 -0.39 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1ynr h GLU 2 Cb 0.00 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1ynr h GLU 2 CO 0.00 1.08 -0.21 1.96 -0.73 0.00 0.00 179.01 181.10 1ynr h GLN 3 N 0.91 0.49 -0.14 1.92 1.08 -2.05 -0.82 115.11 116.50 1ynr h GLN 3 Ca 0.14 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1ynr h GLN 3 Cb 0.70 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1ynr h GLN 3 CO 0.05 0.68 0.02 1.25 -0.95 0.00 0.00 178.83 179.89 1ynr h LEU 4 N 0.44 0.23 -0.55 1.46 5.85 -1.94 -0.36 115.31 120.43 1ynr h LEU 4 Ca 0.07 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.59 1ynr h LEU 4 Cb 0.62 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1ynr h LEU 4 CO 0.04 0.43 0.26 0.00 -0.34 0.00 0.00 178.44 178.82 1ynr h ALA 5 N 0.81 0.71 -0.33 1.25 0.00 -1.01 -1.25 119.26 119.43 1ynr h ALA 5 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ynr h ALA 5 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ynr h ALA 5 CO 0.00 -0.11 0.16 0.87 0.00 0.00 0.00 179.25 180.17 1ynr h LYS 6 N 0.48 0.48 -0.68 0.00 1.57 -1.02 -0.91 116.57 116.50 1ynr h LYS 6 Ca 0.25 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1ynr h LYS 6 Cb 0.21 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1ynr h LYS 6 CO -0.21 0.44 0.44 0.37 -0.57 0.00 0.00 179.45 179.92 1ynr h GLN 7 N 0.40 0.85 0.00 3.15 5.75 -0.81 -2.33 115.11 122.12 1ynr h GLN 7 Ca 0.11 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1ynr h GLN 7 Cb 0.12 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1ynr h GLN 7 CO -0.01 0.56 0.00 1.63 -2.65 0.00 0.00 178.83 178.36 1ynr n LYS 8 N -4.65 0.11 -0.37 1.69 4.76 -0.50 -4.88 118.16 114.32 1ynr n LYS 8 Ca 0.06 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1ynr n LYS 8 Cb 0.05 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.55 1ynr n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ynr n GLY 9 N 0.16 0.81 0.36 0.72 0.00 -0.88 -4.94 105.19 101.42 1ynr n GLY 9 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.48 0.26 0.13 0.00 2.81 -1.26 -1.86 117.12 112.73 1ynr n MET 11 Ca 0.12 0.12 0.04 0.00 -1.81 0.00 0.00 57.70 56.16 1ynr n MET 11 Cb 0.20 -1.50 0.46 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 2.71 1.67 0.00 3.04 0.00 -1.71 -3.34 119.26 121.63 1ynr h ALA 12 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ynr h ALA 12 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ynr h ALA 12 CO 0.00 0.25 -0.64 0.00 0.00 0.00 0.00 179.25 178.86 1ynr s HIS 14 N -1.62 1.83 0.21 0.00 4.02 -0.77 -0.84 115.29 118.12 1ynr s HIS 14 Ca 0.00 -0.38 0.08 0.00 1.02 0.00 0.00 55.06 55.79 1ynr s HIS 14 Cb 0.00 -1.09 -0.05 0.00 -1.02 0.00 0.00 32.58 30.42 1ynr s HIS 14 CO 0.00 0.09 -0.16 0.34 1.02 0.00 0.00 174.74 176.03 1ynr s ASP 15 N -1.17 2.73 0.26 1.40 2.15 -1.26 -4.20 116.67 116.59 1ynr s ASP 15 Ca 0.08 -0.99 -0.03 0.00 0.43 0.00 0.00 52.55 52.03 1ynr s ASP 15 Cb -0.09 -0.16 0.42 0.00 -0.30 0.00 0.00 42.92 42.79 1ynr s ASP 15 CO 0.02 -0.12 1.85 -0.07 -0.17 0.00 0.00 175.17 176.68 1ynr h LEU 16 N 2.63 0.91 0.00 -1.34 3.38 -1.94 0.02 115.31 118.97 1ynr h LEU 16 Ca -0.39 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1ynr h LEU 16 Cb 1.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ynr h LEU 16 CO 0.60 0.55 -0.70 0.29 0.09 0.00 0.00 178.44 179.27 1ynr n LYS 17 N -4.60 0.99 -2.58 1.13 4.76 -1.26 -1.43 118.16 115.18 1ynr n LYS 17 Ca 0.15 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.26 1ynr n LYS 17 Cb 0.23 -0.85 -0.04 0.00 -1.84 0.00 0.00 35.03 32.53 1ynr n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ynr s ALA 18 N -1.70 2.91 -0.53 7.82 0.00 -1.26 -4.76 121.76 124.24 1ynr s ALA 18 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1ynr s ALA 18 Cb 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 19.96 1ynr s ALA 18 CO 0.00 -0.23 0.72 0.15 0.00 0.00 0.00 175.76 176.41 1ynr s LYS 19 N -3.29 3.17 0.00 0.00 1.02 -1.26 -3.85 119.74 115.52 1ynr s LYS 19 Ca 0.65 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1ynr s LYS 19 Cb -0.14 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.06 1ynr s LYS 19 CO 0.19 -1.33 0.00 1.63 -0.92 0.00 0.00 175.35 174.92 1ynr n LYS 20 N 6.56 0.00 -0.02 1.68 5.02 -1.26 -4.98 118.16 125.16 1ynr n LYS 20 Ca -0.05 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.08 1ynr n LYS 20 Cb 0.46 0.00 -0.12 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 1.60 -1.31 -0.18 2.07 -1.70 -3.46 116.25 113.27 1ynr h VAL 21 Ca 0.00 -2.18 -0.44 0.00 0.82 0.00 0.00 66.70 64.91 1ynr h VAL 21 Cb 0.00 3.02 0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1ynr h VAL 21 CO 0.00 0.59 -0.21 -0.83 0.02 0.00 0.00 177.57 177.14 1ynr s GLY 22 N -4.10 1.89 0.65 2.17 0.00 -0.02 -5.03 107.32 102.87 1ynr s GLY 22 Ca -0.16 -1.78 -0.18 0.00 0.00 0.00 0.00 44.72 42.60 1ynr s GLY 22 CO 0.75 -1.53 1.28 2.56 0.00 0.00 0.00 173.10 176.17 1ynr s PRO 23 N -4.44 2.57 0.48 2.90 0.04 -1.26 -4.71 135.00 130.57 1ynr s PRO 23 Ca 0.57 2.03 -0.24 0.00 0.04 0.00 0.00 61.00 63.40 1ynr s PRO 23 Cb -0.09 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 1ynr s PRO 23 CO 0.35 -1.58 1.42 0.00 0.04 0.00 0.00 177.00 177.23 1ynr n ALA 24 N -1.92 1.94 -0.27 8.56 0.00 -1.25 -4.54 120.51 123.03 1ynr n ALA 24 Ca 0.16 0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.83 1ynr n ALA 24 Cb 0.48 -2.39 0.15 0.00 0.00 0.00 0.00 19.45 17.69 1ynr n ALA 24 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ynr h TYR 25 N 2.06 0.79 -0.64 0.00 0.99 -1.00 -1.11 116.97 118.05 1ynr h TYR 25 Ca -0.51 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.31 1ynr h TYR 25 Cb 1.28 -0.24 -0.04 0.00 1.00 0.00 0.00 36.73 38.73 1ynr h TYR 25 CO 0.48 0.33 0.42 0.00 -0.00 0.00 0.00 178.16 179.40 1ynr h ALA 26 N 1.43 1.76 -0.16 3.88 0.00 -1.49 -0.68 119.26 124.01 1ynr h ALA 26 Ca 0.37 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1ynr h ALA 26 Cb 0.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ynr h ALA 26 CO -0.24 0.14 -0.60 -0.44 0.00 0.00 0.00 179.25 178.11 1ynr h ASP 27 N 0.65 0.60 -0.46 0.00 3.45 -1.47 -1.64 116.42 117.56 1ynr h ASP 27 Ca 0.27 -0.34 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 1ynr h ASP 27 Cb 0.25 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 1ynr h ASP 27 CO -0.08 1.06 0.28 0.58 -1.57 0.00 0.00 179.24 179.51 1ynr h VAL 28 N 0.40 1.14 -0.49 -1.35 2.07 -0.99 -1.13 116.25 115.90 1ynr h VAL 28 Ca -0.00 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1ynr h VAL 28 Cb 1.15 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1ynr h VAL 28 CO 0.11 0.14 0.29 0.00 0.02 0.00 0.00 177.57 178.13 1ynr h ALA 29 N 1.13 0.62 -0.21 1.67 0.00 -0.96 -2.28 119.26 119.24 1ynr h ALA 29 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ynr h ALA 29 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ynr h ALA 29 CO -0.03 -0.02 0.07 -0.22 0.00 0.00 0.00 179.25 179.05 1ynr h LYS 30 N 0.57 0.33 -0.70 0.00 3.64 -1.21 -1.33 116.57 117.87 1ynr h LYS 30 Ca 0.20 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 1ynr h LYS 30 Cb 0.03 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1ynr h LYS 30 CO -0.10 0.42 0.37 -0.22 -2.27 0.00 0.00 179.45 177.65 1ynr h LYS 31 N 0.18 0.64 -0.41 1.90 3.64 -0.99 -3.06 116.57 118.47 1ynr h LYS 31 Ca 0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ynr h LYS 31 Cb 0.22 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1ynr h LYS 31 CO -0.00 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.26 1ynr n TYR 32 N -4.81 0.53 -1.66 1.91 4.02 -0.88 -4.98 117.16 111.29 1ynr n TYR 32 Ca 0.10 -0.28 -0.50 0.00 -0.01 0.00 0.00 57.90 57.21 1ynr n TYR 32 Cb 0.22 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.44 0.47 -0.21 -0.72 0.00 -0.51 -1.96 120.51 119.03 1ynr n ALA 33 Ca 0.19 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1ynr n ALA 33 Cb 0.59 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 3.60 1.53 3.69 0.00 0.00 -1.26 -5.02 105.19 107.74 1ynr n GLY 34 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.37 4.40 0.23 1.61 1.81 -0.83 -4.92 118.95 120.88 1ynr s ARG 35 Ca 0.00 1.51 -0.06 0.00 -1.72 0.00 0.00 55.73 55.46 1ynr s ARG 35 Cb 0.00 -3.54 0.37 0.00 -0.45 0.00 0.00 34.95 31.33 1ynr s ARG 35 CO 0.00 -0.35 1.77 -0.22 -0.68 0.00 0.00 175.30 175.82 1ynr h LYS 36 N 7.21 0.57 -0.65 3.54 3.64 -1.95 -2.51 116.57 126.41 1ynr h LYS 36 Ca -0.33 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1ynr h LYS 36 Cb 1.16 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1ynr h LYS 36 CO 0.86 0.37 0.10 -0.40 -2.27 0.00 0.00 179.45 178.11 1ynr n ASP 37 N -4.88 5.42 -0.28 4.20 5.75 -1.26 -4.62 116.55 120.88 1ynr n ASP 37 Ca 0.12 -3.02 -0.01 0.00 -0.01 0.00 0.00 54.79 51.86 1ynr n ASP 37 Cb 0.31 -0.71 0.11 0.00 -1.03 0.00 0.00 41.12 39.80 1ynr n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ynr h ALA 38 N 3.56 1.03 0.03 2.12 0.00 -1.77 -0.16 119.26 124.07 1ynr h ALA 38 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ynr h ALA 38 Cb 2.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1ynr h ALA 38 CO 0.58 0.23 -0.01 0.28 0.00 0.00 0.00 179.25 180.33 1ynr h VAL 39 N 0.90 1.12 -0.50 0.00 2.07 -1.84 0.68 116.25 118.67 1ynr h VAL 39 Ca 0.32 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1ynr h VAL 39 Cb 0.10 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1ynr h VAL 39 CO -0.14 0.12 0.06 0.44 0.02 0.00 0.00 177.57 178.06 1ynr h ASP 40 N -0.24 0.82 0.00 0.57 5.19 -1.88 0.11 116.42 120.99 1ynr h ASP 40 Ca -0.00 -0.28 0.02 0.00 -0.62 0.00 0.00 57.03 56.15 1ynr h ASP 40 Cb 0.22 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1ynr h ASP 40 CO 0.01 0.89 -0.13 0.22 -3.12 0.00 0.00 179.24 177.11 1ynr h TYR 41 N 0.72 -0.32 -0.19 4.55 3.20 -0.95 -2.34 116.97 121.65 1ynr h TYR 41 Ca 0.15 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.86 1ynr h TYR 41 Cb 0.44 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1ynr h TYR 41 CO 0.03 -0.19 -0.58 -0.07 -1.64 0.00 0.00 178.16 175.71 1ynr h LEU 42 N -0.21 0.68 -0.66 2.82 3.38 -0.64 -2.35 115.31 118.32 1ynr h LEU 42 Ca 0.05 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 57.76 1ynr h LEU 42 Cb 0.27 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 1ynr h LEU 42 CO -0.13 1.11 0.21 0.00 0.09 0.00 0.00 178.44 179.73 1ynr h ALA 43 N 0.89 0.86 -0.44 1.53 0.00 -0.74 0.27 119.26 121.64 1ynr h ALA 43 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1ynr h ALA 43 Cb 1.15 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ynr h ALA 43 CO 0.11 -0.25 0.02 0.78 0.00 0.00 0.00 179.25 179.91 1ynr h GLY 44 N 0.36 0.83 1.12 0.00 0.00 -1.21 -1.24 103.07 102.93 1ynr h GLY 44 Ca 0.35 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ynr h GLY 44 CO -0.39 0.55 0.47 0.50 0.00 0.00 0.00 176.54 177.68 1ynr h LYS 45 N 0.62 1.15 -0.29 4.80 1.79 -0.88 0.17 116.57 123.93 1ynr h LYS 45 Ca 0.13 -0.12 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1ynr h LYS 45 Cb 0.47 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1ynr h LYS 45 CO 0.02 0.83 0.01 0.82 -1.08 0.00 0.00 179.45 180.05 1ynr h ILE 46 N 1.16 1.25 -0.07 1.86 2.04 -0.25 0.24 117.51 123.74 1ynr h ILE 46 Ca 0.30 -0.91 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1ynr h ILE 46 Cb 0.00 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1ynr h ILE 46 CO -0.05 0.29 0.03 0.11 0.00 0.00 0.00 178.15 178.53 1ynr h LYS 47 N 0.31 0.11 0.00 2.37 1.57 -0.97 -3.26 116.57 116.70 1ynr h LYS 47 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1ynr h LYS 47 Cb 0.42 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1ynr h LYS 47 CO 0.01 0.23 -1.69 1.63 -0.57 0.00 0.00 179.45 179.06 1ynr n LYS 48 N -4.95 0.56 0.00 3.15 5.02 0.58 -1.51 118.16 121.02 1ynr n LYS 48 Ca -0.06 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1ynr n LYS 48 Cb 0.11 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 1.28 -0.12 0.00 0.72 0.00 0.84 -3.79 105.19 104.11 1ynr n GLY 49 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.21 3.20 -0.02 0.00 -0.90 -4.69 105.19 102.57 1ynr n GLY 50 Ca 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 1ynr n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ynr s SER 51 N 0.00 0.09 0.00 1.61 0.15 -1.26 -0.14 113.70 114.15 1ynr s SER 51 Ca 0.00 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.10 1ynr s SER 51 Cb 0.00 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1ynr s SER 51 CO 0.00 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1ynr n GLY 52 N 0.18 1.58 0.14 9.45 0.00 -0.23 -4.86 105.19 111.43 1ynr n GLY 52 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 1.40 0.00 1.61 2.07 -1.96 -3.40 116.25 115.97 1ynr h VAL 53 Ca 0.00 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 1ynr h VAL 53 Cb 0.00 3.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1ynr h VAL 53 CO 0.00 0.74 -1.26 0.79 0.02 0.00 0.00 177.57 177.87 1ynr n TRP 54 N -3.96 0.00 -3.91 1.57 7.02 -1.26 -5.10 117.44 111.81 1ynr n TRP 54 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.34 1ynr n TRP 54 Cb 0.93 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.68 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 2.23 0.51 0.02 6.99 0.00 -1.26 -5.04 105.19 108.64 1ynr n GLY 55 Ca -0.02 -0.85 0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.25 0.84 -4.67 1.61 3.41 -1.26 -1.07 113.62 112.23 1ynr n SER 56 Ca 0.01 -0.73 -0.42 0.00 -0.26 0.00 0.00 58.87 57.47 1ynr n SER 56 Cb 0.08 0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 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 -2.97 4.84 0.32 -3.33 1.01 -1.26 -4.75 120.40 114.25 1ynr s VAL 57 Ca 0.10 1.78 -0.27 0.00 0.00 0.00 0.00 61.98 63.59 1ynr s VAL 57 Cb 0.17 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1ynr s VAL 57 CO 0.78 0.00 1.02 -2.16 0.00 0.00 0.00 175.10 174.74 1ynr s PRO 58 N 2.20 4.53 0.02 2.72 0.04 -1.26 -4.69 135.00 138.56 1ynr s PRO 58 Ca 0.41 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.70 1ynr s PRO 58 Cb -0.17 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1ynr s PRO 58 CO 0.13 0.19 1.03 1.41 0.04 0.00 0.00 177.00 179.80 1ynr s MET 59 N -1.85 4.54 0.79 4.56 1.75 0.80 -4.93 119.30 124.97 1ynr s MET 59 Ca 0.49 1.51 -0.11 0.00 -1.25 0.00 0.00 55.69 56.33 1ynr s MET 59 Cb -0.25 -3.43 0.07 0.00 2.84 0.00 0.00 34.83 34.06 1ynr s MET 59 CO 0.31 -0.08 1.10 -2.14 -0.65 0.00 0.00 175.02 173.56 1ynr s PRO 60 N 0.95 2.08 0.77 4.11 0.02 -1.26 -2.11 135.00 139.57 1ynr s PRO 60 Ca 0.53 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.70 1ynr s PRO 60 Cb -0.23 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.48 1ynr s PRO 60 CO 0.28 -1.79 1.10 -1.25 -0.33 0.00 0.00 177.00 175.02 1ynr s PRO 61 N -4.79 2.19 0.09 5.54 0.04 -1.25 -4.00 135.00 132.82 1ynr s PRO 61 Ca 0.63 1.25 0.10 0.00 0.04 0.00 0.00 61.00 63.01 1ynr s PRO 61 Cb -0.18 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ynr s PRO 61 CO 0.55 -1.71 -0.25 -0.65 0.04 0.00 0.00 177.00 174.98 1ynr s GLN 62 N -4.76 1.50 -1.37 4.56 -1.52 -0.57 -4.90 119.66 112.60 1ynr s GLN 62 Ca 0.63 -1.20 -0.15 0.00 -1.95 0.00 0.00 55.36 52.69 1ynr s GLN 62 Cb -0.18 -1.82 0.01 0.00 -0.22 0.00 0.00 33.01 30.80 1ynr s GLN 62 CO 0.54 0.45 2.19 -1.71 -0.25 0.00 0.00 175.29 176.51 1ynr n ASN 63 N 1.34 3.72 -4.11 5.90 5.15 -1.26 -4.81 115.26 121.19 1ynr n ASN 63 Ca -0.18 -2.82 -0.16 0.00 -0.60 0.00 0.00 54.58 50.83 1ynr n ASN 63 Cb 0.53 -1.58 -0.12 0.00 -0.53 0.00 0.00 39.78 38.08 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 3.44 0.81 0.80 3.44 -7.23 -1.26 -5.07 120.40 115.33 1ynr s VAL 64 Ca 0.49 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.37 1ynr s VAL 64 Cb 0.14 -0.82 0.07 0.00 0.56 0.00 0.00 36.38 36.33 1ynr s VAL 64 CO -0.06 -0.29 1.16 0.42 -0.31 0.00 0.00 175.10 176.02 1ynr s THR 65 N -1.30 2.24 0.18 5.32 -4.23 -1.26 -4.89 115.64 111.70 1ynr s THR 65 Ca -0.06 0.08 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 1ynr s THR 65 Cb -0.10 -3.06 0.07 0.00 1.34 0.00 0.00 72.50 70.75 1ynr s THR 65 CO 0.01 -0.10 1.83 -0.78 -0.54 0.00 0.00 174.62 175.04 1ynr h ASP 66 N -1.03 0.56 -0.73 3.99 3.58 -1.99 -0.82 116.42 119.99 1ynr h ASP 66 Ca -0.46 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.00 1ynr h ASP 66 Cb 1.32 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.20 1ynr h ASP 66 CO 0.65 0.40 0.47 0.00 -2.88 0.00 0.00 179.24 177.88 1ynr h ALA 67 N 1.21 0.94 -0.47 -0.78 0.00 -1.99 -1.11 119.26 117.06 1ynr h ALA 67 Ca 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ynr h ALA 67 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ynr h ALA 67 CO -0.07 0.28 -0.01 0.93 0.00 0.00 0.00 179.25 180.38 1ynr h GLU 68 N 0.93 0.84 -0.80 0.00 5.08 -1.86 -1.56 114.58 117.22 1ynr h GLU 68 Ca 0.28 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ynr h GLU 68 Cb -0.03 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1ynr h GLU 68 CO -0.09 0.90 0.40 0.00 -1.00 0.00 0.00 179.01 179.22 1ynr h ALA 69 N 0.92 1.21 -0.28 3.43 0.00 -0.80 -0.61 119.26 123.14 1ynr h ALA 69 Ca 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ynr h ALA 69 Cb 0.52 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ynr h ALA 69 CO 0.03 0.62 0.06 -0.22 0.00 0.00 0.00 179.25 179.73 1ynr h LYS 70 N 1.12 0.45 -0.87 0.00 3.64 -1.08 -1.09 116.57 118.74 1ynr h LYS 70 Ca 0.28 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1ynr h LYS 70 Cb 0.08 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1ynr h LYS 70 CO -0.04 0.54 0.49 0.37 -2.27 0.00 0.00 179.45 178.55 1ynr h GLN 71 N 0.28 1.20 -0.39 1.90 4.15 -0.88 -0.15 115.11 121.22 1ynr h GLN 71 Ca 0.09 -0.13 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 1ynr h GLN 71 Cb 0.30 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1ynr h GLN 71 CO 0.00 0.87 -0.34 -0.07 -1.93 0.00 0.00 178.83 177.36 1ynr h LEU 72 N 1.21 0.94 -0.01 -2.39 3.38 -1.00 -1.01 115.31 116.42 1ynr h LEU 72 Ca 0.31 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1ynr h LEU 72 Cb 0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1ynr h LEU 72 CO -0.05 1.18 0.01 0.00 0.09 0.00 0.00 178.44 179.67 1ynr h ALA 73 N 0.87 0.02 -0.86 1.53 0.00 -0.92 -0.51 119.26 119.38 1ynr h ALA 73 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ynr h ALA 73 Cb 0.91 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1ynr h ALA 73 CO 0.08 -0.46 0.57 1.96 0.00 0.00 0.00 179.25 181.40 1ynr h GLN 74 N -0.02 1.12 0.10 0.00 4.20 -0.90 -1.32 115.11 118.29 1ynr h GLN 74 Ca 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ynr h GLN 74 Cb 0.04 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1ynr h GLN 74 CO -0.00 0.74 -0.05 2.35 -0.67 0.00 0.00 178.83 181.20 1ynr h TRP 75 N 1.15 -0.13 -0.38 2.96 7.01 -1.01 -2.54 115.95 123.02 1ynr h TRP 75 Ca 0.32 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.37 1ynr h TRP 75 Cb -0.11 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 26.94 1ynr h TRP 75 CO -0.01 -0.00 0.09 0.82 -2.79 0.00 0.00 178.44 176.54 1ynr h ILE 76 N -0.22 0.83 0.00 2.65 2.04 -0.89 -1.62 117.51 120.30 1ynr h ILE 76 Ca -0.01 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1ynr h ILE 76 Cb 0.18 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1ynr h ILE 76 CO 0.02 0.04 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 1ynr h LEU 77 N 0.22 0.00 -0.01 1.44 3.38 -1.20 -2.14 115.31 117.00 1ynr h LEU 77 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ynr h LEU 77 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ynr h LEU 77 CO -0.22 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.77 1ynr n SER 78 N -2.90 0.54 -4.65 -0.43 3.41 -0.61 -4.88 113.62 104.09 1ynr n SER 78 Ca -0.01 0.55 -0.43 0.00 -0.26 0.00 0.00 58.87 58.72 1ynr n SER 78 Cb 0.15 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.38 1ynr n SER 78 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ynr s ILE 79 N -3.07 4.24 -2.00 -1.33 1.01 -0.81 -5.11 121.20 114.14 1ynr s ILE 79 Ca 0.12 1.47 0.31 0.00 0.00 0.00 0.00 60.65 62.55 1ynr s ILE 79 Cb 0.15 -4.06 0.89 0.00 0.01 0.00 0.00 42.46 39.44 1ynr s ILE 79 CO 0.57 -0.26 2.18 0.29 0.00 0.00 0.00 174.94 177.72