#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywx s ASP 2 N 0.00 1.36 0.06 7.83 1.11 -1.10 -5.03 116.67 120.90 1ywx s ASP 2 Ca 0.00 -0.21 0.06 0.00 0.18 0.00 0.00 52.55 52.58 1ywx s ASP 2 Cb 0.00 -0.30 -0.03 0.00 1.07 0.00 0.00 42.92 43.66 1ywx s ASP 2 CO 0.00 0.10 -0.18 -0.63 1.18 0.00 0.00 175.17 175.64 1ywx s ILE 3 N 0.04 1.42 -0.08 0.77 1.01 -1.26 -0.05 121.20 123.05 1ywx s ILE 3 Ca -0.01 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1ywx s ILE 3 Cb -0.08 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.13 1ywx s ILE 3 CO 0.00 -0.01 -0.09 -0.55 0.00 0.00 0.00 174.94 174.29 1ywx s SER 4 N -1.49 1.73 0.15 3.58 0.15 0.67 -4.93 113.70 113.57 1ywx s SER 4 Ca 0.04 -0.26 -0.29 0.00 0.70 0.00 0.00 55.95 56.14 1ywx s SER 4 Cb -0.09 -0.75 -0.07 0.00 -1.71 0.00 0.00 66.02 63.40 1ywx s SER 4 CO 0.02 -0.03 0.90 -0.63 1.20 0.00 0.00 173.24 174.70 1ywx s ILE 5 N 1.05 4.37 -0.14 6.45 -1.09 -1.26 0.12 121.20 130.70 1ywx s ILE 5 Ca -0.08 1.96 -0.12 0.00 -2.23 0.00 0.00 60.65 60.18 1ywx s ILE 5 Cb -0.15 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1ywx s ILE 5 CO -0.01 0.41 -0.24 -0.38 -1.23 0.00 0.00 174.94 173.50 1ywx n ILE 6 N 2.19 1.22 -4.09 2.92 2.08 0.94 -4.92 119.36 119.70 1ywx n ILE 6 Ca -0.01 0.22 -0.10 0.00 0.56 0.00 0.00 62.75 63.42 1ywx n ILE 6 Cb 0.49 -2.22 -0.08 0.00 -0.75 0.00 0.00 39.64 37.08 1ywx n ILE 6 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ywx s SER 7 N -5.51 0.07 -0.21 4.38 1.04 -1.06 -5.01 113.70 107.40 1ywx s SER 7 Ca -0.20 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.07 1ywx s SER 7 Cb 0.03 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.66 1ywx s SER 7 CO 0.30 -0.93 0.04 1.51 0.98 0.00 0.00 173.24 175.14 1ywx s ASP 8 N -3.07 3.03 0.22 7.02 -4.77 -1.26 -2.44 116.67 115.40 1ywx s ASP 8 Ca 0.28 -0.91 0.06 0.00 -3.30 0.00 0.00 52.55 48.69 1ywx s ASP 8 Cb 0.04 -0.61 -0.04 0.00 -1.09 0.00 0.00 42.92 41.22 1ywx s ASP 8 CO 0.08 -0.32 0.17 -0.13 0.70 0.00 0.00 175.17 175.67 1ywx s ARG 9 N 1.84 2.90 0.01 2.11 1.81 -0.77 -5.04 118.95 121.81 1ywx s ARG 9 Ca 0.00 -1.00 0.06 0.00 -1.72 0.00 0.00 55.73 53.07 1ywx s ARG 9 Cb -0.17 -2.58 -0.02 0.00 -0.45 0.00 0.00 34.95 31.73 1ywx s ARG 9 CO -0.10 0.43 -0.17 1.21 -0.68 0.00 0.00 175.30 175.99 1ywx s ASN 10 N -3.58 2.01 -0.37 0.23 2.47 -1.26 -3.43 114.94 111.01 1ywx s ASN 10 Ca 0.32 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.23 1ywx s ASN 10 Cb -0.09 -0.19 0.13 0.00 -1.45 0.00 0.00 41.25 39.65 1ywx s ASN 10 CO 0.24 0.16 0.21 0.20 -3.72 0.00 0.00 177.10 174.19 1ywx s ASN 11 N -0.70 3.33 0.17 -4.21 0.01 0.01 -4.95 114.94 108.60 1ywx s ASN 11 Ca 0.06 -2.24 0.00 0.00 -0.71 0.00 0.00 52.86 49.97 1ywx s ASN 11 Cb -0.07 -0.66 0.02 0.00 0.41 0.00 0.00 41.25 40.95 1ywx s ASN 11 CO 0.00 -0.31 1.39 1.55 -1.51 0.00 0.00 177.10 178.23 1ywx h PRO 12 N 7.09 0.29 0.00 -0.60 0.13 -1.93 1.69 132.00 138.66 1ywx h PRO 12 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ywx h PRO 12 Cb 0.96 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1ywx h PRO 12 CO 0.37 0.97 0.00 1.28 -0.23 0.00 0.00 178.00 180.38 1ywx n LEU 13 N -3.74 0.00 0.00 1.56 4.32 -1.26 -0.65 117.00 117.23 1ywx n LEU 13 Ca -0.04 0.55 0.13 0.00 -0.02 0.00 0.00 56.01 56.63 1ywx n LEU 13 Cb 0.77 -0.05 0.65 0.00 -1.62 0.00 0.00 43.42 43.18 1ywx n LEU 13 CO 0.48 -0.05 0.94 0.18 -1.22 0.00 0.00 177.39 177.73 1ywx n LEU 14 N -1.19 0.00 -2.20 2.23 4.77 -1.26 -4.89 117.00 114.46 1ywx n LEU 14 Ca 0.00 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1ywx n LEU 14 Cb 0.00 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1ywx n LEU 14 CO 0.00 -0.04 0.06 0.00 -1.33 0.00 0.00 177.39 176.08 1ywx n GLN 15 N -1.31 -3.37 -4.54 3.23 6.02 0.17 -4.87 117.38 112.71 1ywx n GLN 15 Ca 0.12 0.42 -0.25 0.00 -0.01 0.00 0.00 57.00 57.28 1ywx n GLN 15 Cb 0.22 -4.18 -0.11 0.00 1.02 0.00 0.00 30.24 27.19 1ywx n GLN 15 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ywx s ARG 16 N -4.77 1.80 -0.12 -1.09 1.81 0.56 -3.17 118.95 113.97 1ywx s ARG 16 Ca 0.03 -1.98 -0.03 0.00 -1.72 0.00 0.00 55.73 52.03 1ywx s ARG 16 Cb -0.01 -1.41 0.04 0.00 -0.45 0.00 0.00 34.95 33.12 1ywx s ARG 16 CO 0.36 -0.02 0.04 0.50 -0.68 0.00 0.00 175.30 175.50 1ywx s ARG 17 N -3.73 0.37 -0.25 3.54 3.52 -0.28 -0.81 118.95 121.31 1ywx s ARG 17 Ca 0.34 -0.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.87 1ywx s ARG 17 Cb 0.07 -1.37 0.00 0.00 -1.56 0.00 0.00 34.95 32.09 1ywx s ARG 17 CO 0.16 -0.48 0.01 -1.21 -0.81 0.00 0.00 175.30 172.97 1ywx s GLU 18 N 2.02 3.19 -0.11 5.12 2.02 -1.22 0.14 118.70 129.85 1ywx s GLU 18 Ca 0.03 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.27 1ywx s GLU 18 Cb -0.14 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.94 1ywx s GLU 18 CO -0.06 -0.32 -0.17 0.42 0.02 0.00 0.00 175.26 175.15 1ywx s ILE 19 N 1.47 1.60 -0.02 -1.63 1.01 0.26 -1.85 121.20 122.04 1ywx s ILE 19 Ca 0.04 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 1ywx s ILE 19 Cb -0.16 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1ywx s ILE 19 CO -0.01 0.46 0.53 -0.75 0.00 0.00 0.00 174.94 175.17 1ywx s LYS 20 N 0.92 4.23 0.36 2.79 2.47 -1.02 0.35 119.74 129.83 1ywx s LYS 20 Ca -0.07 0.61 -0.04 0.00 -1.56 0.00 0.00 55.97 54.91 1ywx s LYS 20 Cb -0.15 -3.32 0.02 0.00 -1.46 0.00 0.00 37.83 32.91 1ywx s LYS 20 CO -0.01 0.43 0.53 1.97 0.16 0.00 0.00 175.35 178.43 1ywx n PHE 21 N 2.59 -1.59 -4.16 4.03 -1.74 -1.00 -0.04 117.46 115.55 1ywx n PHE 21 Ca -0.09 -2.29 -0.12 0.00 -0.56 0.00 0.00 57.45 54.39 1ywx n PHE 21 Cb 0.51 0.61 -0.11 0.00 1.52 0.00 0.00 39.48 42.02 1ywx n PHE 21 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ywx s THR 22 N -2.72 0.78 -0.05 1.97 2.01 0.33 -2.65 115.64 115.32 1ywx s THR 22 Ca 0.27 -1.70 0.01 0.00 0.31 0.00 0.00 61.69 60.58 1ywx s THR 22 Cb -0.02 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1ywx s THR 22 CO 0.20 -0.68 -0.03 0.54 -0.69 0.00 0.00 174.62 173.96 1ywx s VAL 23 N -2.82 0.44 -0.01 3.82 0.11 0.52 -0.24 120.40 122.21 1ywx s VAL 23 Ca 0.06 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1ywx s VAL 23 Cb -0.00 -0.50 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1ywx s VAL 23 CO -0.02 0.21 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.24 1ywx s SER 24 N 1.10 3.78 -0.27 3.54 0.15 0.92 0.16 113.70 123.09 1ywx s SER 24 Ca -0.08 -0.32 -0.28 0.00 0.70 0.00 0.00 55.95 55.97 1ywx s SER 24 Cb -0.14 -0.68 0.18 0.00 -1.71 0.00 0.00 66.02 63.67 1ywx s SER 24 CO -0.01 0.31 1.31 0.72 1.20 0.00 0.00 173.24 176.76 1ywx s PHE 25 N -0.78 -0.12 -0.39 3.44 -0.71 -0.85 -2.72 117.98 115.84 1ywx s PHE 25 Ca 0.12 0.25 0.02 0.00 -1.04 0.00 0.00 56.93 56.28 1ywx s PHE 25 Cb -0.10 0.48 0.12 0.00 -1.21 0.00 0.00 43.02 42.30 1ywx s PHE 25 CO 0.02 -0.09 0.16 -0.51 -1.34 0.00 0.00 175.22 173.46 1ywx s ASP 26 N -0.63 4.06 0.00 1.98 1.11 -1.26 -4.46 116.67 117.46 1ywx s ASP 26 Ca 0.06 -2.29 0.00 0.00 0.18 0.00 0.00 52.55 50.50 1ywx s ASP 26 Cb -0.02 -1.17 0.00 0.00 1.07 0.00 0.00 42.92 42.80 1ywx s ASP 26 CO -0.09 -0.33 0.00 0.00 1.18 0.00 0.00 175.17 175.94 1ywx n ALA 27 N 4.01 0.00 -3.17 5.23 0.00 -1.26 -5.16 120.51 120.17 1ywx n ALA 27 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.36 1ywx n ALA 27 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1ywx n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ywx s ALA 28 N -1.00 -1.09 -0.33 0.00 0.00 -1.26 -5.13 121.76 112.95 1ywx s ALA 28 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1ywx s ALA 28 Cb 0.00 0.45 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1ywx s ALA 28 CO 0.00 -0.52 1.15 0.99 0.00 0.00 0.00 175.76 177.38 1ywx s THR 29 N -2.81 4.37 0.00 0.00 2.01 -1.26 -5.02 115.64 112.93 1ywx s THR 29 Ca -0.03 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.52 1ywx s THR 29 Cb -0.00 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.14 1ywx s THR 29 CO -0.05 -0.54 0.00 -0.81 -0.69 0.00 0.00 174.62 172.53 1ywx n PRO 30 N 7.11 0.71 -3.52 4.92 -0.04 -1.26 -5.09 135.00 137.84 1ywx n PRO 30 Ca 0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 1ywx n PRO 30 Cb 0.47 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1ywx n PRO 30 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ywx s SER 31 N -1.25 4.99 -0.04 3.54 0.01 -1.26 -5.00 113.70 114.69 1ywx s SER 31 Ca 0.00 -0.88 -0.21 0.00 1.31 0.00 0.00 55.95 56.17 1ywx s SER 31 Cb 0.00 -0.15 -0.15 0.00 0.21 0.00 0.00 66.02 65.93 1ywx s SER 31 CO 0.00 -0.91 0.91 0.40 0.41 0.00 0.00 173.24 174.05 1ywx h ILE 32 N 0.77 0.72 -0.67 1.44 2.04 -1.98 0.73 117.51 120.56 1ywx h ILE 32 Ca -0.38 -0.96 0.18 0.00 1.00 0.00 0.00 64.86 64.70 1ywx h ILE 32 Cb 1.28 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1ywx h ILE 32 CO 0.53 0.17 0.48 0.50 0.00 0.00 0.00 178.15 179.83 1ywx h LYS 33 N -0.87 0.06 0.00 2.37 3.11 -1.97 1.83 116.57 121.09 1ywx h LYS 33 Ca -0.03 -0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.60 1ywx h LYS 33 Cb 0.51 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.70 1ywx h LYS 33 CO 0.05 0.04 -0.99 -0.44 -2.81 0.00 0.00 179.45 175.29 1ywx h ASP 34 N 0.06 0.01 0.06 4.20 5.19 -1.94 -3.15 116.42 120.84 1ywx h ASP 34 Ca 0.32 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.63 1ywx h ASP 34 Cb 1.19 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.71 1ywx h ASP 34 CO -0.02 1.00 -0.37 0.58 -3.12 0.00 0.00 179.24 177.31 1ywx h VAL 35 N 0.00 1.64 -0.77 -1.35 2.07 0.30 -3.21 116.25 114.93 1ywx h VAL 35 Ca -0.01 -2.35 0.22 0.00 0.82 0.00 0.00 66.70 65.38 1ywx h VAL 35 Cb 1.75 3.21 -0.03 0.00 -1.52 0.00 0.00 31.29 34.70 1ywx h VAL 35 CO 0.13 0.64 0.65 0.07 0.02 0.00 0.00 177.57 179.08 1ywx h LYS 36 N -0.66 0.00 0.06 1.57 2.10 0.23 -0.49 116.57 119.39 1ywx h LYS 36 Ca -0.06 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1ywx h LYS 36 Cb 1.26 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.54 1ywx h LYS 36 CO 0.07 0.00 -0.42 0.52 -2.00 0.00 0.00 179.45 177.62 1ywx h MET 37 N 0.00 -0.59 -0.01 0.07 2.86 -1.54 1.42 114.93 117.14 1ywx h MET 37 Ca 0.37 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1ywx h MET 37 Cb 1.66 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.45 1ywx h MET 37 CO -0.00 -0.40 -0.00 0.87 1.06 0.00 0.00 176.91 178.44 1ywx h LYS 38 N -0.62 0.01 -0.94 1.72 6.56 -1.28 -2.77 116.57 119.26 1ywx h LYS 38 Ca 0.03 -0.01 0.21 0.00 -1.06 0.00 0.00 60.65 59.83 1ywx h LYS 38 Cb 0.67 -0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.25 1ywx h LYS 38 CO -0.28 0.41 0.61 -0.07 -2.06 0.00 0.00 179.45 178.06 1ywx h LEU 39 N -0.38 0.48 -0.51 2.94 3.38 -1.11 0.84 115.31 120.94 1ywx h LEU 39 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ywx h LEU 39 Cb 0.40 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ywx h LEU 39 CO 0.00 0.18 0.31 0.58 0.09 0.00 0.00 178.44 179.60 1ywx h VAL 40 N 0.47 1.15 -0.02 1.22 2.07 0.22 1.15 116.25 122.51 1ywx h VAL 40 Ca 0.50 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.52 1ywx h VAL 40 Cb 1.17 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1ywx h VAL 40 CO -0.22 0.16 -0.72 0.00 0.02 0.00 0.00 177.57 176.80 1ywx h ALA 41 N 1.15 0.76 0.16 1.67 0.00 -0.03 1.47 119.26 124.43 1ywx h ALA 41 Ca 0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1ywx h ALA 41 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ywx h ALA 41 CO -0.03 0.85 -0.08 0.28 0.00 0.00 0.00 179.25 180.26 1ywx h VAL 42 N 0.08 0.97 -0.03 0.00 2.07 0.12 -3.24 116.25 116.23 1ywx h VAL 42 Ca -0.02 -0.90 -0.21 0.00 0.82 0.00 0.00 66.70 66.40 1ywx h VAL 42 Cb 1.27 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1ywx h VAL 42 CO 0.10 0.20 -0.86 -0.07 0.02 0.00 0.00 177.57 176.96 1ywx h LEU 43 N -0.67 0.48 -1.81 2.57 3.38 0.13 -3.48 115.31 115.91 1ywx h LEU 43 Ca -0.02 -0.36 -0.22 0.00 0.09 0.00 0.00 57.88 57.37 1ywx h LEU 43 Cb 0.49 -0.14 0.12 0.00 0.09 0.00 0.00 40.66 41.21 1ywx h LEU 43 CO 0.04 1.14 -0.53 -3.20 0.09 0.00 0.00 178.44 175.98 1ywx n ASN 44 N -3.76 -2.19 -2.80 -0.43 5.15 0.50 -5.04 115.26 106.69 1ywx n ASN 44 Ca -0.05 -0.42 -0.14 0.00 -0.60 0.00 0.00 54.58 53.37 1ywx n ASN 44 Cb 0.79 -3.65 -0.04 0.00 -0.53 0.00 0.00 39.78 36.35 1ywx n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ywx n ALA 45 N -3.10 0.29 -1.93 5.20 0.00 -1.14 -5.04 120.51 114.78 1ywx n ALA 45 Ca -0.19 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.73 1ywx n ALA 45 Cb 0.61 0.72 -0.03 0.00 0.00 0.00 0.00 19.45 20.76 1ywx n ALA 45 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ywx s ASN 46 N -2.33 6.61 0.13 0.00 3.84 -1.26 -4.86 114.94 117.06 1ywx s ASN 46 Ca 0.10 2.49 0.25 0.00 0.21 0.00 0.00 52.86 55.90 1ywx s ASN 46 Cb 0.00 -2.56 0.53 0.00 -0.55 0.00 0.00 41.25 38.67 1ywx s ASN 46 CO 0.07 -0.88 1.48 2.29 -2.79 0.00 0.00 177.10 177.27 1ywx n LYS 47 N 5.51 0.24 -0.05 0.43 2.85 -1.26 -3.51 118.16 122.38 1ywx n LYS 47 Ca 0.16 0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.39 1ywx n LYS 47 Cb 0.40 -1.69 -0.07 0.00 -0.65 0.00 0.00 35.03 33.02 1ywx n LYS 47 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1ywx h GLN 48 N 0.00 0.36 -1.87 -1.58 4.20 -2.02 -3.27 115.11 110.93 1ywx h GLN 48 Ca 0.00 -0.21 -0.69 0.00 0.06 0.00 0.00 58.65 57.81 1ywx h GLN 48 Cb 0.71 0.02 -0.34 0.00 0.30 0.00 0.00 27.48 28.16 1ywx h GLN 48 CO 0.00 0.79 0.19 1.33 -0.67 0.00 0.00 178.83 180.46 1ywx n VAL 49 N -4.52 3.34 -4.09 -0.54 0.24 -1.25 -4.96 118.33 106.54 1ywx n VAL 49 Ca -0.07 -4.86 -0.17 0.00 -2.04 0.00 0.00 64.34 57.20 1ywx n VAL 49 Cb 0.40 -1.30 -0.15 0.00 -1.47 0.00 0.00 33.84 31.31 1ywx n VAL 49 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ywx s LEU 50 N -3.83 1.64 0.19 1.34 0.20 -1.23 -3.35 118.68 113.64 1ywx s LEU 50 Ca 0.49 -0.08 -0.16 0.00 0.69 0.00 0.00 54.13 55.07 1ywx s LEU 50 Cb 0.38 -0.29 0.02 0.00 -0.43 0.00 0.00 46.19 45.87 1ywx s LEU 50 CO -0.27 -0.01 0.48 -0.69 -0.29 0.00 0.00 176.35 175.58 1ywx s VAL 51 N 0.41 0.03 -0.03 1.68 1.01 -1.19 -4.96 120.40 117.35 1ywx s VAL 51 Ca -0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1ywx s VAL 51 Cb -0.08 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1ywx s VAL 51 CO -0.00 -0.15 0.19 0.54 0.00 0.00 0.00 175.10 175.68 1ywx s VAL 52 N -3.89 5.43 -0.09 2.92 0.11 -1.26 -2.95 120.40 120.67 1ywx s VAL 52 Ca 0.11 -0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.92 1ywx s VAL 52 Cb -0.00 -3.51 -0.19 0.00 -1.53 0.00 0.00 36.38 31.14 1ywx s VAL 52 CO -0.02 0.41 0.83 0.44 -3.33 0.00 0.00 175.10 173.42 1ywx h ASP 53 N 4.14 -0.06 -2.88 3.54 3.32 -1.52 -3.46 116.42 119.50 1ywx h ASP 53 Ca -0.51 -0.61 0.21 0.00 0.02 0.00 0.00 57.03 56.15 1ywx h ASP 53 Cb 1.20 0.01 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 1ywx h ASP 53 CO 0.66 0.66 0.89 -0.89 -1.72 0.00 0.00 179.24 178.83 1ywx s THR 54 N -2.92 0.00 0.40 0.35 2.01 -1.22 -5.01 115.64 109.25 1ywx s THR 54 Ca -0.15 0.00 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1ywx s THR 54 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1ywx s THR 54 CO 0.56 0.00 0.14 -0.22 -0.69 0.00 0.00 174.62 174.41 1ywx s LEU 55 N -0.66 3.09 -0.27 4.42 2.96 -1.26 -2.03 118.68 124.94 1ywx s LEU 55 Ca 0.07 -1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 52.90 1ywx s LEU 55 Cb -0.02 -1.40 0.16 0.00 0.50 0.00 0.00 46.19 45.42 1ywx s LEU 55 CO -0.10 -0.48 0.46 -1.81 -1.32 0.00 0.00 176.35 173.10 1ywx s ASP 56 N -3.86 -0.32 -0.23 3.68 1.11 0.23 -4.89 116.67 112.38 1ywx s ASP 56 Ca 0.39 0.39 -0.29 0.00 0.18 0.00 0.00 52.55 53.23 1ywx s ASP 56 Cb 0.03 1.48 0.01 0.00 1.07 0.00 0.00 42.92 45.51 1ywx s ASP 56 CO 0.22 -0.29 1.04 -1.58 1.18 0.00 0.00 175.17 175.74 1ywx s GLN 57 N 2.65 4.26 0.12 8.23 0.74 -1.26 0.51 119.66 134.91 1ywx s GLN 57 Ca 0.15 1.36 -0.31 0.00 0.05 0.00 0.00 55.36 56.61 1ywx s GLN 57 Cb -0.15 -3.64 -0.09 0.00 1.10 0.00 0.00 33.01 30.23 1ywx s GLN 57 CO -0.19 -0.63 1.53 0.42 -0.55 0.00 0.00 175.29 175.87 1ywx s ILE 58 N 3.20 2.95 0.14 -2.34 1.01 0.47 -4.90 121.20 121.73 1ywx s ILE 58 Ca 0.44 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.71 1ywx s ILE 58 Cb -0.15 -3.40 -0.17 0.00 0.01 0.00 0.00 42.46 38.75 1ywx s ILE 58 CO 0.06 0.03 1.33 0.15 0.00 0.00 0.00 174.94 176.52 1ywx h PHE 59 N 7.18 0.38 -0.78 3.97 3.57 -1.94 -3.26 116.94 126.06 1ywx h PHE 59 Ca -0.42 -0.22 0.15 0.00 3.53 0.00 0.00 57.97 61.00 1ywx h PHE 59 Cb 1.20 -0.04 -0.10 0.00 2.79 0.00 0.00 35.95 39.81 1ywx h PHE 59 CO 0.68 1.05 0.34 0.78 -2.23 0.00 0.00 178.31 178.94 1ywx h GLY 60 N 1.71 1.22 0.00 2.40 0.00 -1.96 -3.45 103.07 102.99 1ywx h GLY 60 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1ywx h GLY 60 CO 0.15 -0.08 0.00 0.58 0.00 0.00 0.00 176.54 177.18 1ywx n LYS 61 N -4.96 0.77 -2.09 4.80 2.85 -1.23 -5.05 118.16 113.25 1ywx n LYS 61 Ca 0.15 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.14 1ywx n LYS 61 Cb 0.43 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.83 1ywx n LYS 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ywx n LEU 62 N 0.00 5.28 -4.90 -5.58 4.77 -1.26 -4.69 117.00 110.62 1ywx n LEU 62 Ca 0.00 -4.86 -0.20 0.00 -0.03 0.00 0.00 56.01 50.92 1ywx n LEU 62 Cb 0.00 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 1ywx n LEU 62 CO 0.00 2.07 -0.01 -0.70 -1.33 0.00 0.00 177.39 177.42 1ywx s GLU 63 N -3.63 2.75 -0.11 3.23 2.56 -1.26 -2.00 118.70 120.25 1ywx s GLU 63 Ca 0.51 -1.31 -0.06 0.00 0.00 0.00 0.00 54.97 54.11 1ywx s GLU 63 Cb 0.42 -2.54 0.04 0.00 2.00 0.00 0.00 34.13 34.05 1ywx s GLU 63 CO -0.06 -0.04 0.26 0.00 -0.56 0.00 0.00 175.26 174.85 1ywx s ALA 64 N -2.34 -0.60 -0.06 6.30 0.00 0.42 0.18 121.76 125.67 1ywx s ALA 64 Ca 0.45 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1ywx s ALA 64 Cb -0.06 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1ywx s ALA 64 CO 0.28 -0.18 -0.13 -2.00 0.00 0.00 0.00 175.76 173.74 1ywx s GLU 65 N 0.98 1.66 0.31 0.00 2.12 0.18 0.19 118.70 124.15 1ywx s GLU 65 Ca -0.07 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.65 1ywx s GLU 65 Cb -0.08 -1.39 0.03 0.00 0.26 0.00 0.00 34.13 32.95 1ywx s GLU 65 CO -0.07 0.06 0.71 0.20 -0.54 0.00 0.00 175.26 175.63 1ywx s GLY 66 N 0.54 0.18 -0.11 -1.50 0.00 -1.08 -0.60 107.32 104.74 1ywx s GLY 66 Ca -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 44.72 44.02 1ywx s GLY 66 CO 0.03 -0.25 -0.04 -0.47 0.00 0.00 0.00 173.10 172.38 1ywx s TYR 67 N -3.37 3.03 -0.20 1.90 6.04 -0.86 -2.38 117.35 121.50 1ywx s TYR 67 Ca 0.14 -0.10 -0.05 0.00 0.04 0.00 0.00 57.07 57.10 1ywx s TYR 67 Cb -0.05 -1.85 -0.02 0.00 -1.04 0.00 0.00 41.96 39.00 1ywx s TYR 67 CO 0.09 0.18 0.01 0.00 -1.54 0.00 0.00 175.55 174.29 1ywx s ALA 68 N -0.25 3.05 0.12 3.97 0.00 0.15 -1.35 121.76 127.46 1ywx s ALA 68 Ca 0.04 -1.00 0.10 0.00 0.00 0.00 0.00 51.96 51.11 1ywx s ALA 68 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1ywx s ALA 68 CO 0.02 -0.17 -0.25 0.21 0.00 0.00 0.00 175.76 175.57 1ywx s LYS 69 N 1.04 1.31 -0.03 0.00 2.36 -1.15 0.93 119.74 124.19 1ywx s LYS 69 Ca 0.02 -1.30 0.01 0.00 -2.55 0.00 0.00 55.97 52.16 1ywx s LYS 69 Cb -0.14 -1.73 0.01 0.00 -1.05 0.00 0.00 37.83 34.92 1ywx s LYS 69 CO 0.02 0.41 -0.06 0.42 1.55 0.00 0.00 175.35 177.69 1ywx s ILE 70 N -1.12 0.56 0.68 5.43 1.01 0.12 -3.18 121.20 124.70 1ywx s ILE 70 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 1ywx s ILE 70 Cb -0.10 -0.55 0.07 0.00 0.01 0.00 0.00 42.46 41.90 1ywx s ILE 70 CO 0.06 0.21 0.97 -0.31 0.00 0.00 0.00 174.94 175.86 1ywx s TYR 71 N 0.57 2.62 -0.20 3.97 1.51 -1.21 -1.12 117.35 123.48 1ywx s TYR 71 Ca -0.08 0.21 0.11 0.00 -1.01 0.00 0.00 57.07 56.31 1ywx s TYR 71 Cb -0.11 -3.11 -0.20 0.00 -0.11 0.00 0.00 41.96 38.42 1ywx s TYR 71 CO 0.00 -1.40 -0.03 0.09 -1.11 0.00 0.00 175.55 173.10 1ywx n ASN 72 N -2.81 1.06 -3.59 2.29 3.02 -1.19 -4.89 115.26 109.15 1ywx n ASN 72 Ca 0.09 -0.05 -0.15 0.00 -0.03 0.00 0.00 54.58 54.45 1ywx n ASN 72 Cb 0.60 0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 40.18 1ywx n ASN 72 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1ywx s ASP 73 N -5.64 -0.69 0.19 6.41 -4.77 -1.26 -5.04 116.67 105.86 1ywx s ASP 73 Ca -0.17 1.12 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 1ywx s ASP 73 Cb 0.06 1.07 0.10 0.00 -1.09 0.00 0.00 42.92 43.06 1ywx s ASP 73 CO 0.68 -0.38 1.46 -0.33 0.70 0.00 0.00 175.17 177.31 1ywx h GLU 74 N 4.16 0.35 -0.68 2.11 3.07 -1.97 -1.54 114.58 120.08 1ywx h GLU 74 Ca -0.28 -0.28 0.10 0.00 -0.50 0.00 0.00 59.36 58.40 1ywx h GLU 74 Cb 1.15 0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 29.04 1ywx h GLU 74 CO 0.18 0.92 0.30 0.87 -1.40 0.00 0.00 179.01 179.88 1ywx h LYS 75 N 0.24 0.49 0.07 2.33 6.56 -1.98 2.19 116.57 126.47 1ywx h LYS 75 Ca -0.02 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1ywx h LYS 75 Cb 1.26 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 1ywx h LYS 75 CO 0.12 0.33 -0.03 0.00 -2.06 0.00 0.00 179.45 177.80 1ywx h ALA 76 N 1.45 -0.10 -0.47 3.86 0.00 -1.97 -3.18 119.26 118.85 1ywx h ALA 76 Ca 0.35 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1ywx h ALA 76 Cb 0.42 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1ywx h ALA 76 CO -0.30 -0.20 0.11 1.98 0.00 0.00 0.00 179.25 180.84 1ywx h MET 77 N -0.81 0.25 -0.89 0.00 1.85 -0.82 1.09 114.93 115.60 1ywx h MET 77 Ca -0.01 -0.02 0.23 0.00 -0.61 0.00 0.00 59.70 59.29 1ywx h MET 77 Cb 0.61 -0.06 -0.13 0.00 0.43 0.00 0.00 31.60 32.46 1ywx h MET 77 CO 0.02 0.17 0.35 0.00 -0.40 0.00 0.00 176.91 177.04 1ywx h ALA 78 N 1.35 1.40 0.00 0.39 0.00 0.35 0.83 119.26 123.58 1ywx h ALA 78 Ca 0.23 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ywx h ALA 78 Cb 0.29 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ywx h ALA 78 CO -0.29 -0.39 -0.07 1.15 0.00 0.00 0.00 179.25 179.66 1ywx h THR 79 N 0.34 0.00 -0.92 0.00 2.02 -1.10 -3.39 112.91 109.87 1ywx h THR 79 Ca 0.56 -0.55 0.08 0.00 0.77 0.00 0.00 66.41 67.27 1ywx h THR 79 Cb 1.09 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.39 1ywx h THR 79 CO -0.56 0.00 -0.54 0.40 0.37 0.00 0.00 175.52 175.19 1ywx h ILE 80 N -0.55 0.00 -5.42 3.11 2.04 0.14 -3.40 117.51 113.42 1ywx h ILE 80 Ca 0.00 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.41 1ywx h ILE 80 Cb 0.07 0.00 0.08 0.00 -0.74 0.00 0.00 36.82 36.23 1ywx h ILE 80 CO 0.00 0.00 0.12 -0.62 0.00 0.00 0.00 178.15 177.65 1ywx n GLU 81 N -5.07 -0.11 0.00 2.37 -0.58 0.29 -5.04 120.64 112.49 1ywx n GLU 81 Ca 0.02 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 54.16 1ywx n GLU 81 Cb 0.24 -0.66 0.00 0.00 -0.57 0.00 0.00 31.44 30.45 1ywx n GLU 81 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ywx n THR 82 N -2.83 0.00 0.38 2.62 -2.24 -1.26 -4.56 114.28 106.39 1ywx n THR 82 Ca 0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1ywx n THR 82 Cb 0.57 0.00 0.49 0.00 -2.10 0.00 0.00 70.33 69.29 1ywx n THR 82 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ywx n LYS 83 N 0.00 0.18 0.07 -0.78 -0.00 -1.26 -1.57 118.16 114.80 1ywx n LYS 83 Ca 0.00 0.43 -0.13 0.00 -0.00 0.00 0.00 58.31 58.62 1ywx n LYS 83 Cb 0.00 -1.87 -0.08 0.00 -0.00 0.00 0.00 35.03 33.09 1ywx n LYS 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1ywx h SER 84 N 0.00 -0.09 0.10 -5.58 0.02 -1.98 0.58 113.55 106.60 1ywx h SER 84 Ca 0.00 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 1ywx h SER 84 Cb 0.33 0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1ywx h SER 84 CO 0.00 -0.01 -0.89 0.58 -1.14 0.00 0.00 176.83 175.37 1ywx h VAL 85 N -0.17 1.38 -0.05 2.27 2.07 -1.91 -3.25 116.25 116.59 1ywx h VAL 85 Ca -0.01 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.08 1ywx h VAL 85 Cb 0.14 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1ywx h VAL 85 CO 0.02 0.67 0.10 -0.07 0.02 0.00 0.00 177.57 178.31 1ywx h LEU 86 N -0.49 0.00 -0.33 2.57 4.07 -1.32 -1.23 115.31 118.58 1ywx h LEU 86 Ca -0.18 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.82 1ywx h LEU 86 Cb 1.55 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.26 1ywx h LEU 86 CO 0.08 0.00 0.11 -0.33 -1.08 0.00 0.00 178.44 177.22 1ywx h GLU 87 N 0.00 0.24 0.03 1.13 4.39 0.15 -3.09 114.58 117.44 1ywx h GLU 87 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ywx h GLU 87 Cb 0.23 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1ywx h GLU 87 CO -0.00 0.16 -0.06 0.87 -1.16 0.00 0.00 179.01 178.82 1ywx h LYS 88 N 0.25 -0.09 -5.54 2.33 1.57 -1.37 -3.38 116.57 110.34 1ywx h LYS 88 Ca 0.15 0.01 -0.56 0.00 -1.87 0.00 0.00 60.65 58.37 1ywx h LYS 88 Cb 0.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1ywx h LYS 88 CO -0.15 -0.06 1.59 -1.71 -0.57 0.00 0.00 179.45 178.55 1ywx n ASN 89 N -2.77 1.43 -4.30 0.86 2.85 -1.17 -4.79 115.26 107.38 1ywx n ASN 89 Ca -0.01 0.09 -0.41 0.00 -0.11 0.00 0.00 54.58 54.14 1ywx n ASN 89 Cb 0.05 -1.21 -0.00 0.00 1.24 0.00 0.00 39.78 39.87 1ywx n ASN 89 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1ywx n LYS 90 N 8.48 0.02 0.00 1.20 5.02 -1.26 -4.94 118.16 126.68 1ywx n LYS 90 Ca 0.50 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1ywx n LYS 90 Cb 0.23 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1ywx n LYS 90 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ywx n ILE 91 N -1.08 0.00 0.00 -0.18 2.08 -1.26 -5.07 119.36 113.84 1ywx n ILE 91 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 1ywx n ILE 91 Cb 0.41 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 1ywx n ILE 91 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1ywx n GLU 92 N -0.88 0.00 -1.78 0.38 4.07 -1.26 -5.05 120.64 116.11 1ywx n GLU 92 Ca 0.00 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 1ywx n GLU 92 Cb 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.44 1ywx n GLU 92 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1ywx n GLU 93 N 0.00 0.33 -0.15 5.31 0.28 -1.26 -5.12 120.64 120.02 1ywx n GLU 93 Ca 0.00 -1.56 0.00 0.00 -0.16 0.00 0.00 57.16 55.44 1ywx n GLU 93 Cb 0.00 -0.32 0.00 0.00 1.43 0.00 0.00 31.44 32.55 1ywx n GLU 93 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1ywx n GLU 94 N -1.96 1.12 0.00 3.44 0.28 -1.26 -4.96 120.64 117.30 1ywx n GLU 94 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1ywx n GLU 94 Cb 0.33 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.20 1ywx n GLU 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ywx n ALA 95 N -3.00 0.00 -0.20 -1.84 0.00 -1.26 -5.06 120.51 109.15 1ywx n ALA 95 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ywx n ALA 95 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ywx n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ywx n GLU 96 N 0.00 -0.21 -3.53 0.00 1.02 -1.26 -4.71 120.64 111.95 1ywx n GLU 96 Ca 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 1ywx n GLU 96 Cb 0.00 -1.79 -0.06 0.00 -0.02 0.00 0.00 31.44 29.57 1ywx n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ywx s ALA 97 N -4.71 -2.59 0.00 0.62 0.00 -1.26 -5.08 121.76 108.74 1ywx s ALA 97 Ca -0.06 2.07 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1ywx s ALA 97 Cb 0.05 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1ywx s ALA 97 CO 0.30 -0.56 0.96 -1.91 0.00 0.00 0.00 175.76 174.55 1ywx n GLU 98 N 3.96 0.00 -4.79 0.00 2.13 -1.26 -4.54 120.64 116.14 1ywx n GLU 98 Ca -0.15 0.86 -0.26 0.00 0.66 0.00 0.00 57.16 58.27 1ywx n GLU 98 Cb 0.56 -1.46 -0.16 0.00 0.27 0.00 0.00 31.44 30.65 1ywx n GLU 98 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1ywx s VAL 99 N -2.83 1.41 0.00 6.31 -7.23 -1.26 -5.06 120.40 111.74 1ywx s VAL 99 Ca 0.00 -0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 1ywx s VAL 99 Cb 0.00 -1.24 -0.00 0.00 0.56 0.00 0.00 36.38 35.70 1ywx s VAL 99 CO 0.00 0.41 1.01 0.00 -0.31 0.00 0.00 175.10 176.21 1ywx h ALA 100 N 6.64 -0.58 -1.91 1.32 0.00 -2.02 -3.47 119.26 119.23 1ywx h ALA 100 Ca -0.29 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.85 1ywx h ALA 100 Cb 1.19 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 19.31 1ywx h ALA 100 CO 0.48 -0.58 0.65 -2.00 0.00 0.00 0.00 179.25 177.79 1ywx s GLU 101 N -3.04 0.78 0.00 0.00 2.12 -1.26 -5.16 118.70 112.14 1ywx s GLU 101 Ca -0.00 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1ywx s GLU 101 Cb 0.00 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1ywx s GLU 101 CO 0.01 -0.36 0.00 0.39 -0.54 0.00 0.00 175.26 174.76