#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 0.73 -0.72 -3.83 4.81 -1.97 -1.50 114.58 112.11 1ynr h GLU 2 Ca 0.00 -0.19 0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1ynr h GLU 2 Cb 0.00 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 29.20 1ynr h GLU 2 CO 0.00 0.75 0.27 0.37 -0.73 0.00 0.00 179.01 179.67 1ynr h GLN 3 N 0.60 0.40 -0.53 1.92 5.75 -2.05 -0.37 115.11 120.83 1ynr h GLN 3 Ca 0.14 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1ynr h GLN 3 Cb 0.37 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1ynr h GLN 3 CO 0.01 0.27 0.18 1.25 -2.65 0.00 0.00 178.83 177.88 1ynr h LEU 4 N 0.41 0.76 -0.44 -2.39 6.46 -1.88 0.11 115.31 118.35 1ynr h LEU 4 Ca 0.39 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 58.01 1ynr h LEU 4 Cb 0.58 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 1ynr h LEU 4 CO -0.40 0.76 0.16 0.00 -0.62 0.00 0.00 178.44 178.34 1ynr h ALA 5 N 1.04 0.53 -0.19 1.25 0.00 -0.78 -0.56 119.26 120.55 1ynr h ALA 5 Ca 0.17 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ynr h ALA 5 Cb 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ynr h ALA 5 CO -0.01 -0.23 0.08 -0.22 0.00 0.00 0.00 179.25 178.87 1ynr h LYS 6 N 0.33 0.28 -0.64 0.00 3.64 -0.91 -0.13 116.57 119.14 1ynr h LYS 6 Ca 0.21 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1ynr h LYS 6 Cb 0.19 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1ynr h LYS 6 CO -0.21 0.33 0.42 0.37 -2.27 0.00 0.00 179.45 178.10 1ynr h GLN 7 N 0.15 0.67 -0.25 1.90 4.15 -0.64 -2.12 115.11 118.97 1ynr h GLN 7 Ca 0.06 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1ynr h GLN 7 Cb 0.16 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1ynr h GLN 7 CO -0.01 0.44 0.00 1.63 -1.93 0.00 0.00 178.83 178.97 1ynr n LYS 8 N -4.47 1.86 -0.81 1.69 4.76 -0.25 -4.94 118.16 116.00 1ynr n LYS 8 Ca 0.09 -1.31 0.00 0.00 -2.87 0.00 0.00 58.31 54.21 1ynr n LYS 8 Cb 0.19 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 1.17 0.72 0.24 0.72 0.00 -0.80 -4.94 105.19 102.30 1ynr n GLY 9 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1ynr n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynr h MET 11 N 0.15 0.00 -0.85 0.00 2.86 -1.73 -1.73 114.93 113.64 1ynr h MET 11 Ca 0.03 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.78 1ynr h MET 11 Cb 0.29 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 1ynr h MET 11 CO 0.02 0.00 0.55 0.00 1.06 0.00 0.00 176.91 178.54 1ynr h ALA 12 N 2.15 1.74 0.00 6.32 0.00 -1.76 -3.23 119.26 124.49 1ynr h ALA 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ynr h ALA 12 Cb 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ynr h ALA 12 CO 0.00 0.06 -0.71 0.00 0.00 0.00 0.00 179.25 178.60 1ynr s HIS 14 N -2.09 1.64 0.28 0.00 4.02 -0.70 -1.09 115.29 117.35 1ynr s HIS 14 Ca 0.02 -0.69 0.07 0.00 1.02 0.00 0.00 55.06 55.48 1ynr s HIS 14 Cb 0.07 -1.21 -0.03 0.00 -1.02 0.00 0.00 32.58 30.39 1ynr s HIS 14 CO 0.38 -0.37 0.26 0.34 1.02 0.00 0.00 174.74 176.38 1ynr s ASP 15 N 0.89 5.61 0.27 1.40 2.15 -1.26 -4.17 116.67 121.56 1ynr s ASP 15 Ca -0.10 -0.26 -0.03 0.00 0.43 0.00 0.00 52.55 52.59 1ynr s ASP 15 Cb -0.15 -1.35 0.34 0.00 -0.30 0.00 0.00 42.92 41.46 1ynr s ASP 15 CO 0.01 -0.15 1.84 -0.07 -0.17 0.00 0.00 175.17 176.63 1ynr h LEU 16 N 1.34 0.90 0.00 -1.34 3.38 -1.94 -0.27 115.31 117.38 1ynr h LEU 16 Ca -0.48 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1ynr h LEU 16 Cb 1.24 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1ynr h LEU 16 CO 0.60 0.81 -0.78 0.29 0.09 0.00 0.00 178.44 179.44 1ynr n LYS 17 N -4.30 1.62 -2.66 1.13 4.76 -1.26 -1.03 118.16 116.42 1ynr n LYS 17 Ca 0.06 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.22 1ynr n LYS 17 Cb 0.18 -0.89 -0.00 0.00 -1.84 0.00 0.00 35.03 32.47 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 -1.78 3.40 -0.30 7.82 0.00 -1.26 -4.76 121.76 124.88 1ynr s ALA 18 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 1ynr s ALA 18 Cb 0.00 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 1ynr s ALA 18 CO 0.00 -0.32 0.57 0.21 0.00 0.00 0.00 175.76 176.22 1ynr s LYS 19 N -4.66 3.90 0.00 0.00 2.36 -1.26 -3.98 119.74 116.10 1ynr s LYS 19 Ca 0.48 0.22 0.00 0.00 -2.55 0.00 0.00 55.97 54.11 1ynr s LYS 19 Cb -0.10 -3.72 0.00 0.00 -1.05 0.00 0.00 37.83 32.96 1ynr s LYS 19 CO 0.44 -0.51 0.00 1.63 1.55 0.00 0.00 175.35 178.45 1ynr n LYS 20 N 5.75 0.00 0.00 4.03 5.02 -1.26 -5.03 118.16 126.67 1ynr n LYS 20 Ca -0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.24 1ynr n LYS 20 Cb 0.49 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.49 1ynr n LYS 20 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ynr n VAL 21 N -0.81 1.10 -2.42 -0.18 0.31 -0.63 -5.05 118.33 110.65 1ynr n VAL 21 Ca 0.00 0.30 -0.25 0.00 -0.01 0.00 0.00 64.34 64.38 1ynr n VAL 21 Cb 0.00 -1.72 0.10 0.00 -0.91 0.00 0.00 33.84 31.31 1ynr n VAL 21 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ynr s GLY 22 N -4.07 1.76 0.61 2.92 0.00 -0.25 -5.02 107.32 103.27 1ynr s GLY 22 Ca -0.08 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.02 1ynr s GLY 22 CO 0.12 -0.91 1.28 2.56 0.00 0.00 0.00 173.10 176.15 1ynr s PRO 23 N -5.21 2.80 0.30 2.90 0.04 -1.26 -4.71 135.00 129.85 1ynr s PRO 23 Ca 0.65 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.43 1ynr s PRO 23 Cb -0.07 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1ynr s PRO 23 CO 0.45 -1.40 1.17 0.00 0.04 0.00 0.00 177.00 177.26 1ynr n ALA 24 N -1.63 0.48 -0.09 8.56 0.00 -1.26 -4.61 120.51 121.97 1ynr n ALA 24 Ca 0.14 0.39 0.06 0.00 0.00 0.00 0.00 53.44 54.02 1ynr n ALA 24 Cb 0.48 -2.14 0.40 0.00 0.00 0.00 0.00 19.45 18.19 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 2.53 0.61 -0.21 0.00 -1.99 -0.96 -1.40 116.97 115.56 1ynr h TYR 25 Ca -0.43 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.30 1ynr h TYR 25 Cb 1.31 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.83 1ynr h TYR 25 CO 0.50 0.35 0.06 0.00 -0.00 0.00 0.00 178.16 179.07 1ynr h ALA 26 N 1.68 1.72 -0.17 3.88 0.00 -1.34 -1.88 119.26 123.15 1ynr h ALA 26 Ca 0.23 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 1ynr h ALA 26 Cb 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ynr h ALA 26 CO -0.06 0.22 -0.73 -0.44 0.00 0.00 0.00 179.25 178.24 1ynr h ASP 27 N 0.29 0.91 -0.38 0.00 3.45 -1.51 -2.48 116.42 116.70 1ynr h ASP 27 Ca 0.07 -0.57 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 1ynr h ASP 27 Cb 0.10 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1ynr h ASP 27 CO -0.00 1.37 0.23 0.58 -1.57 0.00 0.00 179.24 179.85 1ynr h VAL 28 N 0.54 1.12 -0.70 -1.35 2.07 -1.04 -1.98 116.25 114.91 1ynr h VAL 28 Ca -0.04 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1ynr h VAL 28 Cb 1.35 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1ynr h VAL 28 CO 0.15 0.12 0.39 0.00 0.02 0.00 0.00 177.57 178.25 1ynr h ALA 29 N 1.10 0.94 -0.68 1.67 0.00 -1.37 -1.76 119.26 119.18 1ynr h ALA 29 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ynr h ALA 29 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ynr h ALA 29 CO -0.03 0.06 0.35 0.87 0.00 0.00 0.00 179.25 180.51 1ynr h LYS 30 N 0.71 0.96 -0.49 0.00 1.57 -1.16 -1.39 116.57 116.78 1ynr h LYS 30 Ca 0.32 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1ynr h LYS 30 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1ynr h LYS 30 CO -0.19 0.74 0.03 -0.22 -0.57 0.00 0.00 179.45 179.24 1ynr h LYS 31 N 0.94 0.84 0.00 3.15 3.64 -0.65 -3.38 116.57 121.11 1ynr h LYS 31 Ca 0.24 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ynr h LYS 31 Cb 0.08 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ynr h LYS 31 CO -0.03 0.86 -1.25 0.66 -2.27 0.00 0.00 179.45 177.42 1ynr n TYR 32 N -4.37 0.00 -1.72 1.91 4.02 -0.73 -4.95 117.16 111.31 1ynr n TYR 32 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1ynr n TYR 32 Cb 0.29 -0.18 -0.02 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.72 2.29 -0.17 -0.72 0.00 -0.53 -1.11 120.51 118.56 1ynr n ALA 33 Ca -0.01 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1ynr n ALA 33 Cb 0.23 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.24 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 2.58 1.53 3.81 0.00 0.00 -1.26 -5.03 105.19 106.82 1ynr n GLY 34 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.40 4.30 0.16 1.61 1.81 -0.27 -4.98 118.95 121.18 1ynr s ARG 35 Ca 0.00 0.94 -0.32 0.00 -1.72 0.00 0.00 55.73 54.63 1ynr s ARG 35 Cb 0.00 -2.86 -0.12 0.00 -0.45 0.00 0.00 34.95 31.52 1ynr s ARG 35 CO 0.00 0.37 1.74 1.17 -0.68 0.00 0.00 175.30 177.91 1ynr n LYS 36 N 0.69 2.64 -2.61 3.54 4.81 -1.26 -1.84 118.16 124.11 1ynr n LYS 36 Ca -0.02 0.95 -0.21 0.00 -0.87 0.00 0.00 58.31 58.17 1ynr n LYS 36 Cb 0.51 -2.80 0.01 0.00 0.02 0.00 0.00 35.03 32.76 1ynr n LYS 36 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ynr n ASP 37 N 4.58 -5.91 -0.33 3.14 8.00 -1.26 -4.90 116.55 119.87 1ynr n ASP 37 Ca 0.17 -0.11 -0.02 0.00 0.71 0.00 0.00 54.79 55.53 1ynr n ASP 37 Cb 0.34 -4.85 0.10 0.00 -0.02 0.00 0.00 41.12 36.69 1ynr n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ynr h ALA 38 N 0.98 1.16 0.21 2.24 0.00 -1.67 -1.28 119.26 120.90 1ynr h ALA 38 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1ynr h ALA 38 Cb 1.36 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ynr h ALA 38 CO 0.57 0.49 -0.10 0.28 0.00 0.00 0.00 179.25 180.49 1ynr h VAL 39 N 1.18 0.83 -0.52 0.00 2.07 -1.90 -1.15 116.25 116.75 1ynr h VAL 39 Ca 0.34 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1ynr h VAL 39 Cb -0.08 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1ynr h VAL 39 CO -0.09 0.04 0.30 0.44 0.02 0.00 0.00 177.57 178.27 1ynr h ASP 40 N -0.36 0.64 0.26 0.57 3.32 -1.94 0.88 116.42 119.79 1ynr h ASP 40 Ca -0.03 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1ynr h ASP 40 Cb 0.28 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1ynr h ASP 40 CO 0.05 0.54 -0.52 0.22 -1.72 0.00 0.00 179.24 177.81 1ynr h TYR 41 N 0.70 -1.47 -0.70 4.55 3.20 -1.18 -2.37 116.97 119.70 1ynr h TYR 41 Ca 0.19 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1ynr h TYR 41 Cb 0.02 0.61 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1ynr h TYR 41 CO -0.02 -0.62 0.38 -0.07 -1.64 0.00 0.00 178.16 176.18 1ynr h LEU 42 N -0.84 0.87 -0.68 2.82 3.38 -1.07 -2.22 115.31 117.58 1ynr h LEU 42 Ca -0.02 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ynr h LEU 42 Cb 0.80 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1ynr h LEU 42 CO -0.21 0.71 0.42 0.00 0.09 0.00 0.00 178.44 179.45 1ynr h ALA 43 N 1.43 0.89 -0.70 1.53 0.00 -0.65 0.93 119.26 122.69 1ynr h ALA 43 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ynr h ALA 43 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1ynr h ALA 43 CO -0.04 0.17 0.42 0.78 0.00 0.00 0.00 179.25 180.59 1ynr h GLY 44 N 0.81 1.01 1.31 0.00 0.00 -0.91 -2.20 103.07 103.09 1ynr h GLY 44 Ca 0.28 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 1ynr h GLY 44 CO -0.12 0.40 -0.16 0.50 0.00 0.00 0.00 176.54 177.17 1ynr h LYS 45 N 0.95 0.81 -0.72 4.80 1.79 -0.79 -1.16 116.57 122.25 1ynr h LYS 45 Ca 0.25 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.37 1ynr h LYS 45 Cb -0.04 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 1ynr h LYS 45 CO -0.05 0.92 0.25 0.82 -1.08 0.00 0.00 179.45 180.31 1ynr h ILE 46 N 0.72 1.25 0.15 1.86 2.04 -0.62 0.27 117.51 123.18 1ynr h ILE 46 Ca 0.11 -0.84 -0.22 0.00 1.00 0.00 0.00 64.86 64.91 1ynr h ILE 46 Cb 0.67 0.44 0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1ynr h ILE 46 CO 0.05 0.33 -1.00 0.50 0.00 0.00 0.00 178.15 178.03 1ynr h LYS 47 N 1.05 0.31 0.00 2.37 3.64 -1.25 -3.37 116.57 119.32 1ynr h LYS 47 Ca 0.24 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1ynr h LYS 47 Cb 0.26 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1ynr h LYS 47 CO -0.01 1.25 -0.98 1.63 -2.27 0.00 0.00 179.45 179.07 1ynr n LYS 48 N -4.05 0.42 0.00 1.90 5.02 -0.45 -1.22 118.16 119.78 1ynr n LYS 48 Ca -0.16 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1ynr n LYS 48 Cb 0.86 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 34.18 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 1.29 -1.35 0.00 0.72 0.00 0.96 -3.75 105.19 103.06 1ynr n GLY 49 Ca 0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.40 3.19 -0.02 0.00 -0.44 -4.70 105.19 103.61 1ynr n GLY 50 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 0.21 0.00 1.61 0.15 -1.26 -0.22 113.70 114.19 1ynr s SER 51 Ca 0.00 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.87 1ynr s SER 51 Cb 0.00 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1ynr s SER 51 CO 0.00 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1ynr n GLY 52 N -0.03 0.88 0.14 9.45 0.00 -0.38 -4.91 105.19 110.34 1ynr n GLY 52 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 1.01 -0.00 1.61 2.07 -1.95 -3.38 116.25 115.62 1ynr h VAL 53 Ca 0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1ynr h VAL 53 Cb 0.00 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1ynr h VAL 53 CO 0.00 0.82 -0.30 0.79 0.02 0.00 0.00 177.57 178.90 1ynr n TRP 54 N -3.69 0.00 -3.88 1.57 7.02 -1.26 -5.09 117.44 112.11 1ynr n TRP 54 Ca -0.24 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.24 1ynr n TRP 54 Cb 1.04 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.93 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 1.05 -1.27 0.81 6.99 0.00 -1.26 -5.02 105.19 106.48 1ynr n GLY 55 Ca 0.02 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.99 1ynr n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ynr n SER 56 N 2.33 2.67 -4.66 1.61 7.64 -1.26 -1.24 113.62 120.71 1ynr n SER 56 Ca 0.00 -1.84 -0.40 0.00 1.01 0.00 0.00 58.87 57.65 1ynr n SER 56 Cb 0.00 0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 1ynr n SER 56 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ynr s VAL 57 N -1.92 5.03 0.40 0.44 1.01 -1.26 -4.78 120.40 119.32 1ynr s VAL 57 Ca 0.24 1.15 -0.24 0.00 0.00 0.00 0.00 61.98 63.14 1ynr s VAL 57 Cb 0.18 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 1ynr s VAL 57 CO 0.32 0.12 1.03 -2.84 0.00 0.00 0.00 175.10 173.72 1ynr s PRO 58 N 1.88 4.19 -0.13 2.72 0.02 -1.26 -4.66 135.00 137.76 1ynr s PRO 58 Ca 0.28 1.44 -0.22 0.00 0.02 0.00 0.00 61.00 62.52 1ynr s PRO 58 Cb -0.16 -2.50 -0.03 0.00 0.02 0.00 0.00 34.50 31.83 1ynr s PRO 58 CO 0.10 -0.10 0.65 1.41 -0.33 0.00 0.00 177.00 178.73 1ynr s MET 59 N -2.57 4.33 0.78 5.54 1.75 0.69 -4.96 119.30 124.86 1ynr s MET 59 Ca 0.58 0.72 -0.11 0.00 -1.25 0.00 0.00 55.69 55.63 1ynr s MET 59 Cb -0.20 -3.50 0.06 0.00 2.84 0.00 0.00 34.83 34.03 1ynr s MET 59 CO 0.25 -0.06 1.08 -2.14 -0.65 0.00 0.00 175.02 173.50 1ynr s PRO 60 N 1.29 2.20 0.72 4.11 0.02 -1.26 -1.33 135.00 140.75 1ynr s PRO 60 Ca 0.32 0.92 -0.15 0.00 0.02 0.00 0.00 61.00 62.11 1ynr s PRO 60 Cb -0.16 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.48 1ynr s PRO 60 CO 0.13 -1.61 1.21 -2.14 -0.33 0.00 0.00 177.00 174.27 1ynr s PRO 61 N -5.00 2.20 0.05 5.54 0.02 -1.25 -4.03 135.00 132.53 1ynr s PRO 61 Ca 0.61 1.78 0.08 0.00 0.02 0.00 0.00 61.00 63.49 1ynr s PRO 61 Cb -0.16 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.50 1ynr s PRO 61 CO 0.56 -1.79 -0.23 -0.65 -0.33 0.00 0.00 177.00 174.56 1ynr s GLN 62 N -3.85 1.49 -1.08 5.54 -1.52 -0.36 -4.92 119.66 114.95 1ynr s GLN 62 Ca 0.75 -1.03 -0.13 0.00 -1.95 0.00 0.00 55.36 53.00 1ynr s GLN 62 Cb -0.30 -1.65 -0.07 0.00 -0.22 0.00 0.00 33.01 30.76 1ynr s GLN 62 CO 0.44 0.42 2.21 0.09 -0.25 0.00 0.00 175.29 178.20 1ynr n ASN 63 N 1.71 4.60 -4.28 5.90 3.02 -1.26 -4.84 115.26 120.11 1ynr n ASN 63 Ca -0.17 -2.57 -0.25 0.00 -0.03 0.00 0.00 54.58 51.56 1ynr n ASN 63 Cb 0.53 -1.28 -0.13 0.00 -0.61 0.00 0.00 39.78 38.29 1ynr n ASN 63 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1ynr s VAL 64 N 3.67 1.73 0.79 2.41 -7.23 -1.26 -5.06 120.40 115.45 1ynr s VAL 64 Ca 0.51 -1.38 -0.11 0.00 -1.81 0.00 0.00 61.98 59.19 1ynr s VAL 64 Cb 0.13 -1.54 0.08 0.00 0.56 0.00 0.00 36.38 35.61 1ynr s VAL 64 CO -0.00 0.09 1.15 0.42 -0.31 0.00 0.00 175.10 176.45 1ynr s THR 65 N -0.97 2.06 0.22 5.32 -4.23 -1.26 -4.86 115.64 111.92 1ynr s THR 65 Ca 0.07 -0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1ynr s THR 65 Cb -0.09 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 70.92 1ynr s THR 65 CO 0.03 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.33 1ynr h ASP 66 N -0.96 0.47 -0.49 3.99 3.45 -1.99 -0.09 116.42 120.81 1ynr h ASP 66 Ca -0.46 0.06 -0.11 0.00 0.43 0.00 0.00 57.03 56.95 1ynr h ASP 66 Cb 1.33 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.05 1ynr h ASP 66 CO 0.65 0.28 -0.11 0.00 -1.57 0.00 0.00 179.24 178.49 1ynr h ALA 67 N 1.42 0.67 -0.36 3.45 0.00 -1.99 -1.10 119.26 121.35 1ynr h ALA 67 Ca 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ynr h ALA 67 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ynr h ALA 67 CO -0.26 0.57 0.19 0.93 0.00 0.00 0.00 179.25 180.68 1ynr h GLU 68 N 0.79 0.51 -0.96 0.00 5.08 -1.86 -1.22 114.58 116.91 1ynr h GLU 68 Ca 0.12 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ynr h GLU 68 Cb 0.66 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1ynr h GLU 68 CO 0.05 0.43 0.63 0.00 -1.00 0.00 0.00 179.01 179.12 1ynr h ALA 69 N 1.05 1.26 -0.32 3.43 0.00 -0.67 -0.79 119.26 123.21 1ynr h ALA 69 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ynr h ALA 69 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ynr h ALA 69 CO -0.02 0.55 0.08 -0.22 0.00 0.00 0.00 179.25 179.64 1ynr h LYS 70 N 1.25 0.50 -0.83 0.00 3.64 -1.06 -0.29 116.57 119.79 1ynr h LYS 70 Ca 0.37 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1ynr h LYS 70 Cb -0.05 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1ynr h LYS 70 CO -0.11 0.56 0.54 1.96 -2.27 0.00 0.00 179.45 180.14 1ynr h GLN 71 N 0.35 1.10 -0.40 1.90 1.08 -0.77 -0.01 115.11 118.36 1ynr h GLN 71 Ca 0.10 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 1ynr h GLN 71 Cb 0.28 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1ynr h GLN 71 CO -0.00 0.73 -0.34 -0.07 -0.95 0.00 0.00 178.83 178.20 1ynr h LEU 72 N 1.13 0.99 -0.38 1.46 3.38 -1.04 -0.39 115.31 120.46 1ynr h LEU 72 Ca 0.30 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ynr h LEU 72 Cb -0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 1ynr h LEU 72 CO -0.06 1.24 0.25 0.00 0.09 0.00 0.00 178.44 179.95 1ynr h ALA 73 N 0.79 0.48 -0.37 1.53 0.00 -0.75 0.39 119.26 121.32 1ynr h ALA 73 Ca 0.07 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ynr h ALA 73 Cb 0.94 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ynr h ALA 73 CO 0.09 -0.07 0.21 1.96 0.00 0.00 0.00 179.25 181.44 1ynr h GLN 74 N 0.51 0.41 0.24 0.00 4.20 -0.86 -1.31 115.11 118.31 1ynr h GLN 74 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1ynr h GLN 74 Cb -0.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1ynr h GLN 74 CO -0.03 0.27 -0.12 2.35 -0.67 0.00 0.00 178.83 180.63 1ynr h TRP 75 N 0.43 -0.30 -0.50 2.96 7.01 -0.77 -2.80 115.95 121.97 1ynr h TRP 75 Ca 0.15 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.24 1ynr h TRP 75 Cb 0.02 0.10 -0.09 0.00 -2.10 0.00 0.00 29.16 27.09 1ynr h TRP 75 CO -0.08 -0.13 -0.04 0.82 -2.79 0.00 0.00 178.44 176.21 1ynr h ILE 76 N -0.40 0.56 0.00 2.65 2.04 -0.79 -0.73 117.51 120.84 1ynr h ILE 76 Ca -0.03 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1ynr h ILE 76 Cb 0.30 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1ynr h ILE 76 CO 0.05 0.01 0.00 0.18 0.00 0.00 0.00 178.15 178.40 1ynr n LEU 77 N -5.28 0.37 -0.41 1.44 4.77 -0.51 -1.63 117.00 115.75 1ynr n LEU 77 Ca 0.05 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 1ynr n LEU 77 Cb 0.27 -0.59 0.39 0.00 -2.33 0.00 0.00 43.42 41.17 1ynr n LEU 77 CO 0.14 -0.52 0.71 -1.54 -1.33 0.00 0.00 177.39 174.84 1ynr n SER 78 N -1.93 1.43 -0.25 -1.43 3.41 -0.28 -4.86 113.62 109.71 1ynr n SER 78 Ca 0.02 -1.26 0.15 0.00 -0.26 0.00 0.00 58.87 57.51 1ynr n SER 78 Cb 0.15 0.10 0.73 0.00 -0.26 0.00 0.00 64.21 64.93 1ynr n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50