#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yx5 s TYR 2 N 0.00 0.95 -0.30 1.12 2.02 0.29 -0.07 117.35 121.37 2yx5 s TYR 2 Ca 0.00 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.10 2yx5 s TYR 2 Cb 0.00 -0.54 0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2yx5 s TYR 2 CO 0.00 -0.02 0.03 0.21 -1.57 0.00 0.00 175.55 174.19 2yx5 s LYS 3 N -2.14 2.66 -0.15 -0.62 2.20 0.50 -0.86 119.74 121.34 2yx5 s LYS 3 Ca -0.02 -1.12 -0.11 0.00 -0.36 0.00 0.00 55.97 54.37 2yx5 s LYS 3 Cb -0.07 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 2yx5 s LYS 3 CO 0.00 -0.56 0.20 0.00 -0.36 0.00 0.00 175.35 174.64 2yx5 s ALA 4 N 1.34 3.72 -0.23 3.13 0.00 1.00 -1.25 121.76 129.46 2yx5 s ALA 4 Ca -0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 2yx5 s ALA 4 Cb -0.19 -2.19 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 2yx5 s ALA 4 CO -0.00 0.29 -0.01 0.99 0.00 0.00 0.00 175.76 177.04 2yx5 s THR 5 N -0.11 3.68 -0.23 0.00 2.01 0.35 0.07 115.64 121.41 2yx5 s THR 5 Ca 0.13 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 2yx5 s THR 5 Cb -0.12 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 2yx5 s THR 5 CO 0.02 0.40 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.65 2yx5 s VAL 6 N 1.52 3.63 -0.20 3.82 1.01 0.94 -1.17 120.40 129.96 2yx5 s VAL 6 Ca 0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2yx5 s VAL 6 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2yx5 s VAL 6 CO -0.01 0.37 0.07 -0.63 0.00 0.00 0.00 175.10 174.90 2yx5 s ILE 7 N 1.51 4.71 -0.09 2.22 1.09 -0.44 -0.45 121.20 129.75 2yx5 s ILE 7 Ca 0.06 -0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.58 2yx5 s ILE 7 Cb -0.15 -3.14 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 2yx5 s ILE 7 CO -0.01 0.43 -0.20 -0.63 -0.10 0.00 0.00 174.94 174.42 2yx5 s ILE 8 N 0.66 1.79 0.31 2.92 1.01 -0.63 -1.19 121.20 126.08 2yx5 s ILE 8 Ca 0.03 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2yx5 s ILE 8 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 2yx5 s ILE 8 CO 0.02 0.50 0.16 -1.59 0.00 0.00 0.00 174.94 174.02 2yx5 s LYS 9 N 0.48 1.63 0.54 2.79 -2.85 -0.35 -1.75 119.74 120.23 2yx5 s LYS 9 Ca -0.17 -1.93 -0.16 0.00 -1.00 0.00 0.00 55.97 52.71 2yx5 s LYS 9 Cb -0.17 -0.15 -0.06 0.00 -2.06 0.00 0.00 37.83 35.39 2yx5 s LYS 9 CO 0.07 -0.45 1.01 -0.51 0.10 0.00 0.00 175.35 175.57 2yx5 s LEU 10 N -3.39 3.58 0.54 2.77 1.43 -1.26 -1.03 118.68 121.31 2yx5 s LEU 10 Ca 0.35 1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 2yx5 s LEU 10 Cb 0.05 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.66 2yx5 s LEU 10 CO 0.17 -0.79 0.55 0.29 0.23 0.00 0.00 176.35 176.81 2yx5 n LYS 11 N -1.72 0.56 -2.02 1.70 4.76 -0.81 -4.42 118.16 116.20 2yx5 n LYS 11 Ca 0.07 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.31 2yx5 n LYS 11 Cb 0.54 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 2yx5 n LYS 11 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2yx5 s LYS 12 N -1.98 4.23 0.00 1.97 2.20 -1.26 -2.12 119.74 122.78 2yx5 s LYS 12 Ca 0.67 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 2yx5 s LYS 12 Cb -0.48 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 2yx5 s LYS 12 CO 0.55 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2yx5 n GLY 13 N 3.84 0.53 3.70 5.54 0.00 -1.26 -5.07 105.19 112.46 2yx5 n GLY 13 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2yx5 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yx5 s VAL 14 N -2.00 5.24 0.35 1.61 1.01 -0.90 -5.04 120.40 120.67 2yx5 s VAL 14 Ca 0.00 0.67 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 2yx5 s VAL 14 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 2yx5 s VAL 14 CO 0.00 0.31 1.23 -0.76 0.00 0.00 0.00 175.10 175.89 2yx5 s LEU 15 N 0.90 4.35 -0.34 3.92 1.43 -1.26 -4.88 118.68 122.80 2yx5 s LEU 15 Ca 0.19 2.52 -0.02 0.00 -1.03 0.00 0.00 54.13 55.78 2yx5 s LEU 15 Cb -0.14 -3.79 0.07 0.00 0.03 0.00 0.00 46.19 42.36 2yx5 s LEU 15 CO 0.07 -0.55 0.07 0.21 0.23 0.00 0.00 176.35 176.38 2yx5 s ASN 16 N -0.77 5.03 0.39 2.29 2.47 -1.26 -4.99 114.94 118.11 2yx5 s ASN 16 Ca 0.52 -1.53 0.15 0.00 0.42 0.00 0.00 52.86 52.42 2yx5 s ASN 16 Cb -0.36 -1.76 1.01 0.00 -1.45 0.00 0.00 41.25 38.69 2yx5 s ASN 16 CO 0.46 -0.36 1.84 -0.65 -3.72 0.00 0.00 177.10 174.68 2yx5 h PRO 17 N 8.01 0.48 -0.18 0.43 0.11 -1.99 -1.53 132.00 137.33 2yx5 h PRO 17 Ca -0.18 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 2yx5 h PRO 17 Cb 1.06 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2yx5 h PRO 17 CO 0.59 0.31 0.02 1.49 -0.21 0.00 0.00 178.00 180.20 2yx5 h GLU 18 N 0.49 0.30 -0.09 1.05 4.81 -1.99 -0.35 114.58 118.80 2yx5 h GLU 18 Ca 0.49 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2yx5 h GLU 18 Cb 1.11 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 2yx5 h GLU 18 CO -0.22 0.48 0.06 0.78 -0.73 0.00 0.00 179.01 179.38 2yx5 h GLY 19 N 0.08 0.13 0.82 1.92 0.00 -1.57 -0.97 103.07 103.49 2yx5 h GLY 19 Ca 0.05 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2yx5 h GLY 19 CO 0.00 0.05 0.61 3.21 0.00 0.00 0.00 176.54 180.42 2yx5 h ARG 20 N 0.10 1.12 -0.31 4.80 3.08 -1.31 -1.07 114.38 120.80 2yx5 h ARG 20 Ca 0.03 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 2yx5 h ARG 20 Cb 0.02 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2yx5 h ARG 20 CO -0.01 0.74 0.02 1.15 -1.07 0.00 0.00 179.97 180.81 2yx5 h THR 21 N 1.15 1.25 -0.67 2.04 2.02 -0.66 -1.95 112.91 116.10 2yx5 h THR 21 Ca 0.39 -0.88 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2yx5 h THR 21 Cb 0.07 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2yx5 h THR 21 CO -0.14 0.29 0.40 0.40 0.37 0.00 0.00 175.52 176.83 2yx5 h ILE 22 N 0.33 1.19 0.61 3.11 2.04 -0.77 -0.65 117.51 123.39 2yx5 h ILE 22 Ca 0.09 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2yx5 h ILE 22 Cb 0.39 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2yx5 h ILE 22 CO 0.01 0.20 -0.45 -0.61 0.00 0.00 0.00 178.15 177.30 2yx5 h GLN 23 N 0.90 -0.99 -0.68 2.37 4.15 -0.98 0.49 115.11 120.38 2yx5 h GLN 23 Ca 0.24 0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.77 2yx5 h GLN 23 Cb -0.02 0.22 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 2yx5 h GLN 23 CO -0.04 -0.66 0.40 0.00 -1.93 0.00 0.00 178.83 176.60 2yx5 h ARG 24 N -1.03 0.75 -0.18 1.69 3.08 -1.25 0.12 114.38 117.56 2yx5 h ARG 24 Ca -0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2yx5 h ARG 24 Cb 0.85 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2yx5 h ARG 24 CO 0.03 0.50 -0.09 0.00 -1.07 0.00 0.00 179.97 179.34 2yx5 h ALA 25 N 1.32 1.52 -0.20 0.04 0.00 -1.00 0.33 119.26 121.27 2yx5 h ALA 25 Ca 0.29 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2yx5 h ALA 25 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2yx5 h ALA 25 CO -0.14 0.35 -0.35 -0.07 0.00 0.00 0.00 179.25 179.04 2yx5 h LEU 26 N 0.27 0.64 -0.68 0.00 3.38 0.95 -2.50 115.31 117.38 2yx5 h LEU 26 Ca 0.06 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 2yx5 h LEU 26 Cb 0.33 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2yx5 h LEU 26 CO 0.02 1.06 0.10 0.78 0.09 0.00 0.00 178.44 180.48 2yx5 h ASN 27 N 0.25 1.08 -0.71 -0.43 2.35 -0.47 -2.35 115.58 115.29 2yx5 h ASN 27 Ca 0.01 -0.26 0.11 0.00 -0.55 0.00 0.00 56.30 55.60 2yx5 h ASN 27 Cb 0.94 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 2yx5 h ASN 27 CO 0.08 1.07 0.47 0.15 -1.65 0.00 0.00 177.43 177.55 2yx5 h PHE 28 N 1.05 0.60 -0.00 1.19 3.57 -0.24 -0.18 116.94 122.92 2yx5 h PHE 28 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2yx5 h PHE 28 Cb 0.46 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.00 2yx5 h PHE 28 CO 0.03 0.27 -0.03 1.28 -2.23 0.00 0.00 178.31 177.64 2yx5 n LEU 29 N -4.49 0.52 0.00 0.59 4.77 -0.95 -4.91 117.00 112.54 2yx5 n LEU 29 Ca 0.12 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2yx5 n LEU 29 Cb 0.38 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2yx5 n LEU 29 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2yx5 n GLY 30 N 1.14 0.46 3.40 -0.72 0.00 -0.08 -5.02 105.19 104.37 2yx5 n GLY 30 Ca 0.20 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2yx5 n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yx5 n PHE 31 N 0.00 1.39 1.08 1.61 3.72 -0.92 -4.61 117.46 119.73 2yx5 n PHE 31 Ca 0.00 -1.08 0.12 0.00 -0.05 0.00 0.00 57.45 56.44 2yx5 n PHE 31 Cb 0.00 -1.82 0.60 0.00 -0.94 0.00 0.00 39.48 37.33 2yx5 n PHE 31 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2yx5 n ASN 32 N 11.70 0.00 -0.03 4.37 3.02 -1.26 -2.74 115.26 130.32 2yx5 n ASN 32 Ca 0.46 0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 55.09 2yx5 n ASN 32 Cb 0.43 -0.36 0.16 0.00 -0.61 0.00 0.00 39.78 39.40 2yx5 n ASN 32 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2yx5 h ASN 33 N 0.00 0.62 -2.42 6.41 2.35 -1.96 -3.42 115.58 117.15 2yx5 h ASN 33 Ca 0.00 -0.20 -0.55 0.00 -0.55 0.00 0.00 56.30 55.00 2yx5 h ASN 33 Cb 0.31 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2yx5 h ASN 33 CO 0.00 0.83 1.23 -0.69 -1.65 0.00 0.00 177.43 177.14 2yx5 s VAL 34 N -4.60 3.25 -0.09 2.81 1.01 -1.11 -4.85 120.40 116.83 2yx5 s VAL 34 Ca -0.08 0.29 0.17 0.00 0.00 0.00 0.00 61.98 62.36 2yx5 s VAL 34 Cb 0.14 -3.22 -0.25 0.00 0.00 0.00 0.00 36.38 33.04 2yx5 s VAL 34 CO 0.81 -0.06 0.26 0.29 0.00 0.00 0.00 175.10 176.39 2yx5 n LYS 35 N 7.67 0.84 -3.62 2.72 4.76 -1.26 -4.89 118.16 124.38 2yx5 n LYS 35 Ca 0.21 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 2yx5 n LYS 35 Cb 0.43 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 32.12 2yx5 n LYS 35 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2yx5 s GLU 36 N -2.90 0.68 0.03 1.97 2.12 -1.26 -5.13 118.70 114.21 2yx5 s GLU 36 Ca -0.07 0.64 0.05 0.00 0.36 0.00 0.00 54.97 55.94 2yx5 s GLU 36 Cb 0.09 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 2yx5 s GLU 36 CO 0.73 -0.12 -0.14 0.08 -0.54 0.00 0.00 175.26 175.28 2yx5 s VAL 37 N -0.03 1.11 0.02 3.70 1.01 -1.26 -5.03 120.40 119.92 2yx5 s VAL 37 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2yx5 s VAL 37 Cb -0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2yx5 s VAL 37 CO -0.01 0.04 -0.03 -1.58 0.00 0.00 0.00 175.10 173.52 2yx5 s GLN 38 N -1.03 0.31 0.11 2.72 -0.44 -1.26 -4.50 119.66 115.57 2yx5 s GLN 38 Ca 0.02 -0.57 0.06 0.00 -2.50 0.00 0.00 55.36 52.38 2yx5 s GLN 38 Cb -0.08 0.04 -0.04 0.00 -1.64 0.00 0.00 33.01 31.30 2yx5 s GLN 38 CO 0.01 -0.03 -0.16 0.95 0.50 0.00 0.00 175.29 176.56 2yx5 s THR 39 N -1.29 1.38 0.08 -0.34 -4.23 -1.26 -4.96 115.64 105.02 2yx5 s THR 39 Ca -0.13 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 58.72 2yx5 s THR 39 Cb -0.09 -1.44 -0.01 0.00 1.34 0.00 0.00 72.50 72.30 2yx5 s THR 39 CO -0.01 -0.29 0.13 -0.31 -0.54 0.00 0.00 174.62 173.60 2yx5 s TYR 40 N -1.71 0.25 -0.17 3.99 2.02 -1.26 -4.79 117.35 115.67 2yx5 s TYR 40 Ca 0.06 -0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.99 2yx5 s TYR 40 Cb -0.07 -0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.30 2yx5 s TYR 40 CO 0.03 -0.50 0.03 0.21 -1.57 0.00 0.00 175.55 173.75 2yx5 s LYS 41 N -3.84 3.84 -0.17 -0.62 2.47 -0.72 -4.97 119.74 115.74 2yx5 s LYS 41 Ca 0.05 -0.41 -0.04 0.00 -1.56 0.00 0.00 55.97 54.01 2yx5 s LYS 41 Cb 0.06 -3.10 -0.03 0.00 -1.46 0.00 0.00 37.83 33.30 2yx5 s LYS 41 CO -0.11 0.28 -0.02 1.41 0.16 0.00 0.00 175.35 177.07 2yx5 s MET 42 N 0.32 3.70 -0.23 4.03 -2.45 -1.26 -1.60 119.30 121.81 2yx5 s MET 42 Ca 0.01 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 2yx5 s MET 42 Cb -0.13 -2.97 0.05 0.00 1.25 0.00 0.00 34.83 33.03 2yx5 s MET 42 CO 0.01 0.21 -0.09 0.42 1.05 0.00 0.00 175.02 176.62 2yx5 s ILE 43 N 0.46 1.72 -0.38 10.11 1.01 0.40 -4.98 121.20 129.54 2yx5 s ILE 43 Ca -0.02 -1.23 -0.19 0.00 0.00 0.00 0.00 60.65 59.21 2yx5 s ILE 43 Cb -0.14 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.46 2yx5 s ILE 43 CO 0.02 0.02 0.54 -1.81 0.00 0.00 0.00 174.94 173.72 2yx5 s ASP 44 N 1.33 6.31 -0.28 3.58 1.11 -1.26 -0.04 116.67 127.42 2yx5 s ASP 44 Ca -0.05 -0.16 -0.07 0.00 0.18 0.00 0.00 52.55 52.45 2yx5 s ASP 44 Cb -0.18 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.52 2yx5 s ASP 44 CO -0.07 -0.57 0.08 -0.63 1.18 0.00 0.00 175.17 175.17 2yx5 s ILE 45 N 2.48 4.15 -0.31 0.77 1.01 0.11 -4.94 121.20 124.48 2yx5 s ILE 45 Ca 0.19 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 60.20 2yx5 s ILE 45 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2yx5 s ILE 45 CO 0.15 0.17 0.42 -0.63 0.00 0.00 0.00 174.94 175.05 2yx5 s ILE 46 N 1.55 5.13 0.16 2.92 1.01 -1.26 -0.00 121.20 130.71 2yx5 s ILE 46 Ca 0.04 0.42 -0.07 0.00 0.00 0.00 0.00 60.65 61.04 2yx5 s ILE 46 Cb -0.16 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2yx5 s ILE 46 CO 0.03 0.00 0.23 0.00 0.00 0.00 0.00 174.94 175.20 2yx5 s MET 47 N 2.16 1.13 -0.01 2.79 0.23 -0.04 -4.99 119.30 120.57 2yx5 s MET 47 Ca 0.16 -1.28 -0.02 0.00 -1.03 0.00 0.00 55.69 53.52 2yx5 s MET 47 Cb -0.16 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.44 2yx5 s MET 47 CO 0.11 -0.40 0.15 -1.21 -2.03 0.00 0.00 175.02 171.64 2yx5 s GLU 48 N -4.01 3.30 0.00 3.16 2.02 -1.26 -0.55 118.70 121.37 2yx5 s GLU 48 Ca 0.21 -0.38 0.00 0.00 0.02 0.00 0.00 54.97 54.82 2yx5 s GLU 48 Cb 0.04 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.26 2yx5 s GLU 48 CO 0.02 0.67 0.00 0.39 0.02 0.00 0.00 175.26 176.36 2yx5 n GLU 50 N 1.03 0.00 -3.60 1.61 1.02 -1.26 -4.77 120.64 114.67 2yx5 n GLU 50 Ca -0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 56.97 2yx5 n GLU 50 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.93 2yx5 n GLU 50 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yx5 s ASN 51 N 0.00 -0.25 0.36 1.62 4.22 -1.26 -5.05 114.94 114.57 2yx5 s ASN 51 Ca 0.00 -0.13 0.08 0.00 -2.14 0.00 0.00 52.86 50.67 2yx5 s ASN 51 Cb 0.00 0.36 0.78 0.00 1.28 0.00 0.00 41.25 43.68 2yx5 s ASN 51 CO 0.00 -0.62 1.90 1.05 -2.04 0.00 0.00 177.10 177.39 2yx5 h GLU 52 N 2.00 0.70 -0.32 3.55 9.09 -1.98 -1.61 114.58 126.01 2yx5 h GLU 52 Ca -0.22 -0.04 -0.11 0.00 0.05 0.00 0.00 59.36 59.04 2yx5 h GLU 52 Cb 1.23 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 2yx5 h GLU 52 CO 0.28 0.46 -0.26 1.49 0.05 0.00 0.00 179.01 181.03 2yx5 h GLU 53 N 0.72 0.65 0.00 1.06 4.57 -1.97 -1.14 114.58 118.46 2yx5 h GLU 53 Ca 0.40 -0.26 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 2yx5 h GLU 53 Cb 0.54 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2yx5 h GLU 53 CO -0.16 0.84 -0.49 0.87 -1.18 0.00 0.00 179.01 178.89 2yx5 h LYS 54 N 0.56 0.00 -0.03 1.92 1.57 -1.76 -2.26 116.57 116.57 2yx5 h LYS 54 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2yx5 h LYS 54 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 2yx5 h LYS 54 CO 0.06 0.49 -0.03 0.28 -0.57 0.00 0.00 179.45 179.68 2yx5 h VAL 55 N 0.00 1.40 -0.95 0.50 2.07 -0.98 -2.30 116.25 115.99 2yx5 h VAL 55 Ca -0.00 -1.25 0.16 0.00 0.82 0.00 0.00 66.70 66.43 2yx5 h VAL 55 Cb 1.02 2.18 -0.08 0.00 -1.52 0.00 0.00 31.29 32.89 2yx5 h VAL 55 CO 0.06 0.33 0.60 0.50 0.02 0.00 0.00 177.57 179.09 2yx5 h LYS 56 N -0.42 0.72 -0.50 1.57 3.64 -1.12 0.24 116.57 120.69 2yx5 h LYS 56 Ca 0.00 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2yx5 h LYS 56 Cb 0.56 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2yx5 h LYS 56 CO 0.01 0.48 0.08 0.93 -2.27 0.00 0.00 179.45 178.67 2yx5 h GLU 57 N 0.74 0.83 -0.20 1.90 5.08 -1.25 -0.65 114.58 121.04 2yx5 h GLU 57 Ca 0.50 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2yx5 h GLU 57 Cb 0.78 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2yx5 h GLU 57 CO -0.26 0.83 0.04 1.49 -1.00 0.00 0.00 179.01 180.10 2yx5 h GLU 58 N 0.71 0.33 0.00 2.33 4.81 -0.04 -2.02 114.58 120.70 2yx5 h GLU 58 Ca 0.15 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2yx5 h GLU 58 Cb 0.40 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2yx5 h GLU 58 CO 0.01 0.48 -0.31 -0.39 -0.73 0.00 0.00 179.01 178.07 2yx5 h VAL 59 N 0.13 1.12 -0.56 0.32 -1.51 -1.02 -0.84 116.25 113.89 2yx5 h VAL 59 Ca 0.06 -1.09 0.04 0.00 -1.23 0.00 0.00 66.70 64.48 2yx5 h VAL 59 Cb 0.31 1.60 -0.04 0.00 -2.13 0.00 0.00 31.29 31.03 2yx5 h VAL 59 CO 0.00 0.30 0.31 -0.08 -1.23 0.00 0.00 177.57 176.87 2yx5 h GLU 60 N 0.00 0.58 -0.53 5.19 4.81 -0.67 0.84 114.58 124.80 2yx5 h GLU 60 Ca -0.00 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2yx5 h GLU 60 Cb 0.58 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2yx5 h GLU 60 CO 0.04 0.38 0.06 0.93 -0.73 0.00 0.00 179.01 179.69 2yx5 h GLU 61 N 0.60 0.90 -0.70 1.92 4.39 -0.48 -0.87 114.58 120.33 2yx5 h GLU 61 Ca 0.24 -0.25 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2yx5 h GLU 61 Cb 0.11 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 2yx5 h GLU 61 CO -0.14 0.89 0.37 0.52 -1.16 0.00 0.00 179.01 179.49 2yx5 h MET 62 N 0.78 0.64 0.30 2.33 2.86 -0.13 0.49 114.93 122.20 2yx5 h MET 62 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2yx5 h MET 62 Cb 0.44 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2yx5 h MET 62 CO 0.02 0.43 -0.14 0.00 1.06 0.00 0.00 176.91 178.27 2yx5 h LYS 64 N -0.56 0.83 -0.25 0.00 3.64 -0.58 -2.21 116.57 117.45 2yx5 h LYS 64 Ca -0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2yx5 h LYS 64 Cb 0.41 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2yx5 h LYS 64 CO 0.07 0.55 0.00 0.36 -2.27 0.00 0.00 179.45 178.16 2yx5 n LYS 65 N -4.60 2.26 0.09 1.90 2.85 0.11 -4.91 118.16 115.85 2yx5 n LYS 65 Ca 0.18 -1.79 0.00 0.00 -1.05 0.00 0.00 58.31 55.65 2yx5 n LYS 65 Cb 0.41 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 2yx5 n LYS 65 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2yx5 n LEU 66 N 0.49 -1.29 -0.34 -5.58 7.94 0.23 -5.01 117.00 113.45 2yx5 n LEU 66 Ca 0.10 0.33 0.11 0.00 -1.11 0.00 0.00 56.01 55.44 2yx5 n LEU 66 Cb 0.38 1.43 0.29 0.00 0.53 0.00 0.00 43.42 46.05 2yx5 n LEU 66 CO 0.07 -0.29 1.17 -0.07 -1.11 0.00 0.00 177.39 177.16 2yx5 h LEU 67 N 0.00 0.73 -8.14 -1.96 3.38 -1.35 -3.44 115.31 104.53 2yx5 h LEU 67 Ca 0.00 0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 2yx5 h LEU 67 Cb 0.00 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 40.51 2yx5 h LEU 67 CO 0.00 0.28 -0.72 0.00 0.09 0.00 0.00 178.44 178.09 2yx5 s ALA 68 N -5.89 0.48 -0.38 1.53 0.00 -0.85 -5.01 121.76 111.64 2yx5 s ALA 68 Ca -0.11 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2yx5 s ALA 68 Cb 0.24 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.51 2yx5 s ALA 68 CO 0.80 -0.10 0.20 1.21 0.00 0.00 0.00 175.76 177.87 2yx5 s ASN 69 N -1.75 5.56 0.51 0.00 3.84 -1.26 -4.64 114.94 117.20 2yx5 s ASN 69 Ca -0.09 -1.29 0.30 0.00 0.21 0.00 0.00 52.86 52.00 2yx5 s ASN 69 Cb -0.08 -1.96 1.42 0.00 -0.55 0.00 0.00 41.25 40.09 2yx5 s ASN 69 CO -0.01 -0.44 1.84 1.55 -2.79 0.00 0.00 177.10 177.25 2yx5 h PRO 70 N 8.35 0.09 -0.72 0.43 0.13 -1.93 0.63 132.00 138.98 2yx5 h PRO 70 Ca -0.23 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 2yx5 h PRO 70 Cb 1.09 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 2yx5 h PRO 70 CO 0.69 0.06 0.41 0.28 -0.23 0.00 0.00 178.00 179.21 2yx5 h VAL 71 N 0.09 1.21 -0.00 1.56 2.07 -2.03 -3.27 116.25 115.88 2yx5 h VAL 71 Ca 0.51 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2yx5 h VAL 71 Cb 1.84 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2yx5 h VAL 71 CO -0.06 0.23 -0.16 2.30 0.02 0.00 0.00 177.57 179.90 2yx5 n ILE 72 N -4.50 0.00 -4.50 4.57 -5.35 -0.64 -4.89 119.36 104.05 2yx5 n ILE 72 Ca 0.06 -0.42 -0.25 0.00 -0.27 0.00 0.00 62.75 61.87 2yx5 n ILE 72 Cb 0.07 1.08 -0.13 0.00 -1.74 0.00 0.00 39.64 38.92 2yx5 n ILE 72 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2yx5 s HIS 73 N -1.12 1.84 0.13 4.28 3.76 0.21 -1.93 115.29 122.46 2yx5 s HIS 73 Ca 0.06 -0.39 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 2yx5 s HIS 73 Cb 0.06 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 2yx5 s HIS 73 CO 0.18 0.15 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.47 2yx5 s ASP 74 N -1.51 3.08 0.12 1.40 1.01 -0.20 -4.27 116.67 116.30 2yx5 s ASP 74 Ca 0.07 -0.75 -0.17 0.00 0.71 0.00 0.00 52.55 52.41 2yx5 s ASP 74 Cb -0.09 -0.20 0.04 0.00 1.01 0.00 0.00 42.92 43.68 2yx5 s ASP 74 CO 0.03 0.13 0.42 -0.72 0.21 0.00 0.00 175.17 175.24 2yx5 s TYR 75 N -1.20 -0.25 0.00 4.23 -0.85 -1.26 -1.21 117.35 116.81 2yx5 s TYR 75 Ca 0.13 -0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 2yx5 s TYR 75 Cb -0.10 0.28 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 2yx5 s TYR 75 CO 0.06 -0.70 0.06 -1.83 -1.52 0.00 0.00 175.55 171.62 2yx5 s GLU 76 N -3.60 0.31 -0.12 -3.49 -1.05 -0.33 -4.98 118.70 105.43 2yx5 s GLU 76 Ca 0.02 -0.33 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 2yx5 s GLU 76 Cb 0.01 0.12 0.01 0.00 -0.44 0.00 0.00 34.13 33.84 2yx5 s GLU 76 CO -0.11 -0.06 -0.18 0.42 0.95 0.00 0.00 175.26 176.28 2yx5 s ILE 77 N -1.00 1.73 -0.10 1.83 1.01 -1.26 -1.33 121.20 122.08 2yx5 s ILE 77 Ca -0.11 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2yx5 s ILE 77 Cb -0.06 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 2yx5 s ILE 77 CO 0.00 0.49 -0.18 -0.54 0.00 0.00 0.00 174.94 174.71 2yx5 s LYS 78 N 0.84 3.09 -0.14 2.79 1.02 -0.31 -4.95 119.74 122.08 2yx5 s LYS 78 Ca -0.09 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.16 2yx5 s LYS 78 Cb -0.15 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2yx5 s LYS 78 CO -0.00 0.28 -0.19 0.08 -0.92 0.00 0.00 175.35 174.60 2yx5 s VAL 79 N 0.15 1.84 -0.05 3.17 1.01 -1.26 0.13 120.40 125.39 2yx5 s VAL 79 Ca -0.10 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2yx5 s VAL 79 Cb -0.16 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2yx5 s VAL 79 CO 0.06 0.51 -0.23 -1.61 0.00 0.00 0.00 175.10 173.82 2yx5 s GLU 80 N 1.08 2.31 0.08 2.72 2.02 -0.38 -4.98 118.70 121.55 2yx5 s GLU 80 Ca -0.02 -0.83 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 2yx5 s GLU 80 Cb -0.14 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 2yx5 s GLU 80 CO -0.06 0.36 0.98 0.21 0.02 0.00 0.00 175.26 176.77 2yx5 s LYS 81 N -0.14 4.64 -0.13 1.61 2.20 -1.26 -0.37 119.74 126.29 2yx5 s LYS 81 Ca -0.03 1.47 -0.29 0.00 -0.36 0.00 0.00 55.97 56.75 2yx5 s LYS 81 Cb -0.13 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2yx5 s LYS 81 CO 0.03 0.10 1.02 0.42 -0.36 0.00 0.00 175.35 176.56 2yx5 s ILE 82 N 0.35 4.75 -0.43 5.43 1.01 0.91 -4.90 121.20 128.33 2yx5 s ILE 82 Ca 0.49 2.04 0.03 0.00 0.00 0.00 0.00 60.65 63.21 2yx5 s ILE 82 Cb -0.23 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 37.96 2yx5 s ILE 82 CO 0.29 -0.03 0.61 -0.62 0.00 0.00 0.00 174.94 175.19