#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 0.87 0.03 6.12 -4.77 -0.89 -5.01 116.67 113.02 1ywx s ASP 2 Ca 0.00 -0.09 0.06 0.00 -3.30 0.00 0.00 52.55 49.23 1ywx s ASP 2 Cb 0.00 -0.37 -0.03 0.00 -1.09 0.00 0.00 42.92 41.43 1ywx s ASP 2 CO 0.00 -0.09 -0.16 -0.63 0.70 0.00 0.00 175.17 174.99 1ywx s ILE 3 N 1.11 2.93 -0.14 2.11 1.01 -1.26 0.19 121.20 127.15 1ywx s ILE 3 Ca -0.08 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 59.47 1ywx s ILE 3 Cb -0.14 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1ywx s ILE 3 CO -0.01 0.35 -0.22 -0.55 0.00 0.00 0.00 174.94 174.51 1ywx s SER 4 N -1.43 3.09 0.06 3.58 0.15 0.32 -4.92 113.70 114.55 1ywx s SER 4 Ca 0.15 -0.60 -0.28 0.00 0.70 0.00 0.00 55.95 55.92 1ywx s SER 4 Cb -0.11 -1.43 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 1ywx s SER 4 CO 0.06 0.08 0.88 -0.63 1.20 0.00 0.00 173.24 174.83 1ywx s ILE 5 N 0.79 4.66 -0.19 6.45 -1.09 -1.26 0.15 121.20 130.71 1ywx s ILE 5 Ca -0.08 1.87 -0.16 0.00 -2.23 0.00 0.00 60.65 60.06 1ywx s ILE 5 Cb -0.16 -4.23 -0.07 0.00 -1.58 0.00 0.00 42.46 36.42 1ywx s ILE 5 CO -0.01 0.31 -0.31 -0.38 -1.23 0.00 0.00 174.94 173.32 1ywx n ILE 6 N 2.97 1.49 -4.14 2.92 2.08 -0.64 -4.93 119.36 119.12 1ywx n ILE 6 Ca 0.01 0.07 -0.09 0.00 0.56 0.00 0.00 62.75 63.29 1ywx n ILE 6 Cb 0.50 -2.28 -0.10 0.00 -0.75 0.00 0.00 39.64 37.01 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 -6.15 0.58 -0.29 4.38 1.04 -1.11 -5.05 113.70 107.09 1ywx s SER 7 Ca -0.28 -1.12 -0.02 0.00 0.48 0.00 0.00 55.95 55.01 1ywx s SER 7 Cb 0.05 0.22 0.10 0.00 0.10 0.00 0.00 66.02 66.49 1ywx s SER 7 CO 0.41 -0.64 0.10 1.51 0.98 0.00 0.00 173.24 175.60 1ywx s ASP 8 N -3.02 3.81 0.25 7.02 1.47 -1.26 -3.12 116.67 121.81 1ywx s ASP 8 Ca 0.17 -1.48 0.08 0.00 1.18 0.00 0.00 52.55 52.51 1ywx s ASP 8 Cb 0.07 -0.71 -0.04 0.00 -0.34 0.00 0.00 42.92 41.90 1ywx s ASP 8 CO -0.02 -0.41 0.07 -0.13 0.68 0.00 0.00 175.17 175.36 1ywx s ARG 9 N 1.76 2.55 -0.03 2.11 1.81 0.43 -5.04 118.95 122.54 1ywx s ARG 9 Ca 0.09 -1.23 0.02 0.00 -1.72 0.00 0.00 55.73 52.88 1ywx s ARG 9 Cb -0.17 -2.34 0.01 0.00 -0.45 0.00 0.00 34.95 32.00 1ywx s ARG 9 CO -0.27 0.39 -0.06 1.21 -0.68 0.00 0.00 175.30 175.90 1ywx s ASN 10 N -3.63 0.97 -0.46 0.23 2.47 -1.26 -2.88 114.94 110.38 1ywx s ASN 10 Ca 0.31 -0.14 0.03 0.00 0.42 0.00 0.00 52.86 53.48 1ywx s ASN 10 Cb -0.07 -0.39 0.13 0.00 -1.45 0.00 0.00 41.25 39.47 1ywx s ASN 10 CO 0.22 -0.01 0.22 0.20 -3.72 0.00 0.00 177.10 174.01 1ywx s ASN 11 N 0.60 4.11 0.13 -4.21 0.01 -0.53 -4.88 114.94 110.17 1ywx s ASN 11 Ca -0.08 -2.72 -0.05 0.00 -0.71 0.00 0.00 52.86 49.29 1ywx s ASN 11 Cb -0.12 -1.38 -0.08 0.00 0.41 0.00 0.00 41.25 40.08 1ywx s ASN 11 CO 0.00 -0.27 1.33 1.55 -1.51 0.00 0.00 177.10 178.20 1ywx h PRO 12 N 6.77 0.48 -0.45 -0.60 0.13 -1.93 1.08 132.00 137.49 1ywx h PRO 12 Ca -0.05 -0.47 0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1ywx h PRO 12 Cb 0.92 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 1ywx h PRO 12 CO 0.59 1.11 -0.37 -0.07 -0.23 0.00 0.00 178.00 179.03 1ywx h LEU 13 N 0.29 -1.29 -2.91 1.56 4.07 -1.92 0.76 115.31 115.88 1ywx h LEU 13 Ca -0.07 0.18 -0.17 0.00 0.08 0.00 0.00 57.88 57.90 1ywx h LEU 13 Cb 1.50 0.55 -0.10 0.00 1.08 0.00 0.00 40.66 43.69 1ywx h LEU 13 CO 0.16 -0.20 0.22 0.18 -1.08 0.00 0.00 178.44 177.71 1ywx n LEU 14 N -4.42 4.63 -3.02 1.67 4.77 -1.25 -4.85 117.00 114.53 1ywx n LEU 14 Ca -0.00 -2.41 -0.13 0.00 -0.03 0.00 0.00 56.01 53.43 1ywx n LEU 14 Cb 0.19 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 1ywx n LEU 14 CO -0.05 0.67 -0.05 0.00 -1.33 0.00 0.00 177.39 176.63 1ywx n GLN 15 N -0.10 -2.13 -3.66 3.23 6.02 0.26 -4.85 117.38 116.15 1ywx n GLN 15 Ca 0.27 0.04 -0.21 0.00 -0.01 0.00 0.00 57.00 57.10 1ywx n GLN 15 Cb 1.04 -4.23 -0.04 0.00 1.02 0.00 0.00 30.24 28.03 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 -5.36 2.54 -0.11 -1.09 0.52 0.37 -2.63 118.95 113.19 1ywx s ARG 16 Ca 0.26 -1.52 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1ywx s ARG 16 Cb -0.15 -2.36 0.02 0.00 0.52 0.00 0.00 34.95 32.98 1ywx s ARG 16 CO 0.32 -0.13 -0.12 0.50 0.02 0.00 0.00 175.30 175.89 1ywx s ARG 17 N -4.08 1.95 -0.60 3.54 3.52 0.26 -1.46 118.95 122.07 1ywx s ARG 17 Ca 0.46 -0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 55.50 1ywx s ARG 17 Cb -0.03 -1.77 0.15 0.00 -1.56 0.00 0.00 34.95 31.75 1ywx s ARG 17 CO 0.27 -0.14 0.51 -1.21 -0.81 0.00 0.00 175.30 173.91 1ywx s GLU 18 N 1.24 2.90 -0.11 5.12 2.02 -1.14 -2.84 118.70 125.90 1ywx s GLU 18 Ca -0.02 -2.04 0.02 0.00 0.02 0.00 0.00 54.97 52.95 1ywx s GLU 18 Cb -0.14 -4.12 0.01 0.00 0.10 0.00 0.00 34.13 29.98 1ywx s GLU 18 CO -0.04 -1.25 -0.17 0.42 0.02 0.00 0.00 175.26 174.24 1ywx s ILE 19 N 0.92 1.61 -0.04 -1.63 1.01 -1.23 -0.43 121.20 121.42 1ywx s ILE 19 Ca 0.10 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 60.09 1ywx s ILE 19 Cb -0.22 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1ywx s ILE 19 CO -0.02 0.46 -0.21 -0.75 0.00 0.00 0.00 174.94 174.42 1ywx s LYS 20 N 0.92 2.36 0.40 2.79 2.36 -1.18 -0.57 119.74 126.81 1ywx s LYS 20 Ca -0.07 -0.83 -0.15 0.00 -2.55 0.00 0.00 55.97 52.37 1ywx s LYS 20 Cb -0.15 -2.21 0.06 0.00 -1.05 0.00 0.00 37.83 34.48 1ywx s LYS 20 CO -0.01 0.55 0.80 -0.59 1.55 0.00 0.00 175.35 177.65 1ywx s PHE 21 N -0.57 0.16 0.19 4.03 -0.71 -1.06 -1.61 117.98 118.41 1ywx s PHE 21 Ca 0.08 -0.87 0.08 0.00 -1.04 0.00 0.00 56.93 55.19 1ywx s PHE 21 Cb -0.11 0.85 -0.04 0.00 -1.21 0.00 0.00 43.02 42.51 1ywx s PHE 21 CO 0.00 -1.61 -0.17 0.99 -1.34 0.00 0.00 175.22 173.09 1ywx s THR 22 N -2.11 1.83 -0.11 -4.49 2.01 0.40 -2.32 115.64 110.84 1ywx s THR 22 Ca 0.16 -2.06 0.01 0.00 0.31 0.00 0.00 61.69 60.11 1ywx s THR 22 Cb -0.05 -1.94 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1ywx s THR 22 CO 0.12 -0.43 -0.13 0.54 -0.69 0.00 0.00 174.62 174.04 1ywx s VAL 23 N -2.42 1.34 -0.11 3.82 0.11 0.11 0.12 120.40 123.37 1ywx s VAL 23 Ca 0.19 -0.53 -0.03 0.00 -2.93 0.00 0.00 61.98 58.68 1ywx s VAL 23 Cb -0.04 -1.26 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1ywx s VAL 23 CO 0.07 0.41 0.03 -0.55 -3.33 0.00 0.00 175.10 171.74 1ywx s SER 24 N 1.22 5.45 -0.23 3.54 0.15 0.51 -1.42 113.70 122.93 1ywx s SER 24 Ca -0.03 0.18 -0.28 0.00 0.70 0.00 0.00 55.95 56.52 1ywx s SER 24 Cb -0.14 -1.65 0.14 0.00 -1.71 0.00 0.00 66.02 62.66 1ywx s SER 24 CO -0.04 0.35 1.11 0.72 1.20 0.00 0.00 173.24 176.57 1ywx s PHE 25 N -0.68 -0.32 -0.32 3.44 -0.12 -1.02 -2.10 117.98 116.85 1ywx s PHE 25 Ca 0.11 0.67 0.00 0.00 -0.05 0.00 0.00 56.93 57.66 1ywx s PHE 25 Cb -0.12 0.43 0.10 0.00 -0.63 0.00 0.00 43.02 42.81 1ywx s PHE 25 CO 0.02 -0.23 0.09 0.16 -0.05 0.00 0.00 175.22 175.21 1ywx s ASP 26 N -0.55 4.20 0.00 1.98 -4.77 -1.26 -4.58 116.67 111.69 1ywx s ASP 26 Ca 0.02 -1.81 0.00 0.00 -3.30 0.00 0.00 52.55 47.46 1ywx s ASP 26 Cb -0.02 -1.06 0.00 0.00 -1.09 0.00 0.00 42.92 40.75 1ywx s ASP 26 CO -0.04 -0.40 0.00 0.00 0.70 0.00 0.00 175.17 175.43 1ywx n ALA 27 N 4.65 0.00 -2.40 2.11 0.00 -1.26 -5.14 120.51 118.47 1ywx n ALA 27 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1ywx n ALA 27 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 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 1.30 -0.16 0.00 0.00 -1.26 -5.12 121.76 115.52 1ywx s ALA 28 Ca 0.00 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.35 1ywx s ALA 28 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1ywx s ALA 28 CO 0.00 -0.04 1.01 0.99 0.00 0.00 0.00 175.76 177.72 1ywx s THR 29 N -2.72 4.75 0.00 0.00 2.01 -1.26 -5.04 115.64 113.38 1ywx s THR 29 Ca 0.10 2.02 0.00 0.00 0.31 0.00 0.00 61.69 64.12 1ywx s THR 29 Cb -0.01 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.20 1ywx s THR 29 CO 0.01 -0.07 0.00 -0.81 -0.69 0.00 0.00 174.62 173.06 1ywx n PRO 30 N 5.53 0.69 -2.06 4.92 -0.04 -1.26 -5.11 135.00 137.66 1ywx n PRO 30 Ca 0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.54 1ywx n PRO 30 Cb 0.48 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 0.43 -0.04 0.00 0.00 175.50 175.89 1ywx n SER 31 N -0.63 1.94 0.12 3.54 7.64 -1.26 -5.01 113.62 119.97 1ywx n SER 31 Ca 0.00 -1.11 -0.10 0.00 1.01 0.00 0.00 58.87 58.67 1ywx n SER 31 Cb 0.00 0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1ywx n SER 31 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ywx h ILE 32 N 0.94 0.42 -0.16 0.44 2.04 -1.98 -1.80 117.51 117.41 1ywx h ILE 32 Ca -0.02 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1ywx h ILE 32 Cb 0.07 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 1ywx h ILE 32 CO 0.03 0.10 -0.14 0.11 0.00 0.00 0.00 178.15 178.26 1ywx h LYS 33 N -0.99 -0.15 -0.84 2.37 6.56 -1.97 1.30 116.57 122.85 1ywx h LYS 33 Ca -0.04 0.01 0.17 0.00 -1.06 0.00 0.00 60.65 59.73 1ywx h LYS 33 Cb 0.47 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.10 1ywx h LYS 33 CO 0.07 -0.10 0.56 0.22 -2.06 0.00 0.00 179.45 178.13 1ywx h ASP 34 N -0.15 0.43 0.39 0.86 3.58 -1.97 1.45 116.42 121.01 1ywx h ASP 34 Ca 0.10 0.03 -0.27 0.00 0.42 0.00 0.00 57.03 57.31 1ywx h ASP 34 Cb 0.30 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.32 1ywx h ASP 34 CO -0.25 0.20 -1.18 0.58 -2.88 0.00 0.00 179.24 175.71 1ywx h VAL 35 N 0.45 1.40 0.00 2.25 2.07 0.11 -3.10 116.25 119.43 1ywx h VAL 35 Ca 0.43 -2.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.23 1ywx h VAL 35 Cb 0.98 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1ywx h VAL 35 CO -0.16 0.80 -0.06 0.50 0.02 0.00 0.00 177.57 178.67 1ywx h LYS 36 N 0.17 0.00 0.50 1.57 3.11 0.51 -1.90 116.57 120.53 1ywx h LYS 36 Ca -0.14 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.67 1ywx h LYS 36 Cb 1.86 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.09 1ywx h LYS 36 CO 0.21 0.06 -0.24 0.52 -2.81 0.00 0.00 179.45 177.19 1ywx h MET 37 N 0.00 -0.64 -0.21 1.90 2.86 0.19 0.09 114.93 119.12 1ywx h MET 37 Ca -0.00 0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1ywx h MET 37 Cb 0.69 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1ywx h MET 37 CO 0.01 -0.43 -0.14 1.57 1.06 0.00 0.00 176.91 178.98 1ywx h LYS 38 N -0.76 0.34 -0.97 1.72 -0.00 -1.61 -2.11 116.57 113.17 1ywx h LYS 38 Ca -0.07 -0.09 0.03 0.00 -0.00 0.00 0.00 60.65 60.53 1ywx h LYS 38 Cb 0.51 -0.04 -0.06 0.00 -0.00 0.00 0.00 32.23 32.64 1ywx h LYS 38 CO 0.11 0.48 0.64 -0.07 -0.00 0.00 0.00 179.45 180.61 1ywx h LEU 39 N 0.32 1.07 -0.71 7.07 3.38 -1.30 0.66 115.31 125.80 1ywx h LEU 39 Ca 0.06 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1ywx h LEU 39 Cb 0.44 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1ywx h LEU 39 CO 0.03 0.74 0.40 0.58 0.09 0.00 0.00 178.44 180.27 1ywx h VAL 40 N 1.24 0.95 -0.06 1.22 2.07 -0.26 1.45 116.25 122.87 1ywx h VAL 40 Ca 0.38 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.46 1ywx h VAL 40 Cb -0.02 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1ywx h VAL 40 CO -0.12 0.13 -0.80 0.00 0.02 0.00 0.00 177.57 176.80 1ywx h ALA 41 N 1.37 0.48 0.20 1.67 0.00 -1.17 1.54 119.26 123.36 1ywx h ALA 41 Ca 0.32 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ywx h ALA 41 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ywx h ALA 41 CO -0.20 0.77 -0.10 0.28 0.00 0.00 0.00 179.25 180.00 1ywx h VAL 42 N 0.30 0.88 -0.07 0.00 2.07 0.16 -3.20 116.25 116.39 1ywx h VAL 42 Ca -0.05 -0.49 -0.23 0.00 0.82 0.00 0.00 66.70 66.75 1ywx h VAL 42 Cb 1.40 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1ywx h VAL 42 CO 0.14 0.11 -0.85 -0.07 0.02 0.00 0.00 177.57 176.92 1ywx h LEU 43 N -0.52 0.88 -1.47 2.57 3.38 0.19 -3.48 115.31 116.85 1ywx h LEU 43 Ca -0.03 -0.69 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 1ywx h LEU 43 Cb 0.39 -0.26 0.05 0.00 0.09 0.00 0.00 40.66 40.92 1ywx h LEU 43 CO 0.05 1.44 -0.21 -3.20 0.09 0.00 0.00 178.44 176.60 1ywx n ASN 44 N -3.95 -2.59 -1.81 -0.43 5.15 0.52 -5.05 115.26 107.11 1ywx n ASN 44 Ca -0.09 -0.17 -0.02 0.00 -0.60 0.00 0.00 54.58 53.70 1ywx n ASN 44 Cb 0.79 -1.85 -0.01 0.00 -0.53 0.00 0.00 39.78 38.19 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 -2.51 0.04 -1.76 5.20 0.00 -1.12 -5.04 120.51 115.33 1ywx n ALA 45 Ca -0.05 -0.16 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 1ywx n ALA 45 Cb 0.54 0.10 0.03 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.20 5.38 -0.10 0.00 2.47 -1.26 -4.89 114.94 115.34 1ywx s ASN 46 Ca 0.01 2.44 0.08 0.00 0.42 0.00 0.00 52.86 55.81 1ywx s ASN 46 Cb 0.00 -2.61 -0.12 0.00 -1.45 0.00 0.00 41.25 37.08 1ywx s ASN 46 CO 0.01 -1.47 0.02 2.29 -3.72 0.00 0.00 177.10 174.23 1ywx n LYS 47 N -1.30 2.17 0.13 0.43 -0.00 -1.26 -4.16 118.16 114.17 1ywx n LYS 47 Ca 0.12 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.52 1ywx n LYS 47 Cb 0.49 -1.25 0.47 0.00 -0.00 0.00 0.00 35.03 34.73 1ywx n LYS 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1ywx n GLN 48 N -2.42 0.12 -2.68 -1.58 6.02 -1.26 -1.86 117.38 113.72 1ywx n GLN 48 Ca -0.17 0.58 -0.08 0.00 -0.01 0.00 0.00 57.00 57.32 1ywx n GLN 48 Cb 0.81 -1.86 0.03 0.00 1.02 0.00 0.00 30.24 30.24 1ywx n GLN 48 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ywx n VAL 49 N -2.10 1.18 -4.07 5.09 0.24 -1.26 -5.06 118.33 112.34 1ywx n VAL 49 Ca -0.01 -3.16 -0.17 0.00 -2.04 0.00 0.00 64.34 58.96 1ywx n VAL 49 Cb 0.05 0.67 -0.15 0.00 -1.47 0.00 0.00 33.84 32.94 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 -3.34 1.56 0.30 1.34 0.20 -0.78 -3.84 118.68 114.13 1ywx s LEU 50 Ca 0.29 -0.08 -0.12 0.00 0.69 0.00 0.00 54.13 54.91 1ywx s LEU 50 Cb 0.42 -0.28 0.01 0.00 -0.43 0.00 0.00 46.19 45.91 1ywx s LEU 50 CO 0.01 -0.02 0.57 -0.69 -0.29 0.00 0.00 176.35 175.92 1ywx s VAL 51 N 0.52 0.00 0.11 1.68 1.01 -1.20 -4.95 120.40 117.56 1ywx s VAL 51 Ca -0.06 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 60.65 1ywx s VAL 51 Cb -0.09 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1ywx s VAL 51 CO -0.01 0.00 0.04 -0.69 0.00 0.00 0.00 175.10 174.44 1ywx s VAL 52 N -3.44 4.18 -0.17 2.92 1.01 -1.26 -2.66 120.40 120.97 1ywx s VAL 52 Ca 0.21 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1ywx s VAL 52 Cb -0.02 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1ywx s VAL 52 CO 0.12 0.07 -0.08 0.47 0.00 0.00 0.00 175.10 175.67 1ywx n ASP 53 N 0.35 1.84 -3.67 3.32 10.43 -0.92 -4.79 116.55 123.11 1ywx n ASP 53 Ca -0.10 0.54 -0.06 0.00 2.57 0.00 0.00 54.79 57.75 1ywx n ASP 53 Cb 0.52 -0.89 -0.02 0.00 1.84 0.00 0.00 41.12 42.58 1ywx n ASP 53 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1ywx s THR 54 N -2.34 0.00 0.24 -3.53 2.01 -1.18 -5.00 115.64 105.84 1ywx s THR 54 Ca -0.21 -0.46 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1ywx s THR 54 Cb 0.04 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 1ywx s THR 54 CO 0.36 0.00 0.36 -0.22 -0.69 0.00 0.00 174.62 174.43 1ywx s LEU 55 N -2.80 0.67 -0.25 4.42 2.96 -1.26 -0.98 118.68 121.44 1ywx s LEU 55 Ca 0.09 -1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 52.78 1ywx s LEU 55 Cb -0.02 1.26 0.11 0.00 0.50 0.00 0.00 46.19 48.05 1ywx s LEU 55 CO -0.02 -1.05 0.53 -1.81 -1.32 0.00 0.00 176.35 172.68 1ywx s ASP 56 N -3.09 -0.68 0.42 3.68 1.11 0.51 -4.91 116.67 113.72 1ywx s ASP 56 Ca 0.29 1.27 -0.25 0.00 0.18 0.00 0.00 52.55 54.04 1ywx s ASP 56 Cb 0.02 1.77 -0.08 0.00 1.07 0.00 0.00 42.92 45.70 1ywx s ASP 56 CO 0.11 -0.23 1.20 -1.58 1.18 0.00 0.00 175.17 175.85 1ywx s GLN 57 N 2.69 3.92 -0.09 8.23 0.74 -1.26 0.66 119.66 134.54 1ywx s GLN 57 Ca -0.04 1.89 -0.19 0.00 0.05 0.00 0.00 55.36 57.07 1ywx s GLN 57 Cb -0.12 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1ywx s GLN 57 CO -0.16 -0.45 0.52 0.42 -0.55 0.00 0.00 175.29 175.08 1ywx s ILE 58 N -1.42 5.13 -0.12 -2.34 -1.09 0.55 -4.82 121.20 117.09 1ywx s ILE 58 Ca 0.59 1.06 0.14 0.00 -2.23 0.00 0.00 60.65 60.22 1ywx s ILE 58 Cb -0.32 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1ywx s ILE 58 CO 0.40 0.33 1.31 0.15 -1.23 0.00 0.00 174.94 175.89 1ywx h PHE 59 N 6.55 0.00 -0.13 3.97 3.57 -1.95 -3.33 116.94 125.63 1ywx h PHE 59 Ca -0.42 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1ywx h PHE 59 Cb 1.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1ywx h PHE 59 CO 0.63 0.58 -0.02 0.78 -2.23 0.00 0.00 178.31 178.04 1ywx h GLY 60 N 3.48 0.11 0.00 2.40 0.00 -1.94 -3.47 103.07 103.65 1ywx h GLY 60 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ywx h GLY 60 CO 0.07 -0.04 0.00 0.58 0.00 0.00 0.00 176.54 177.15 1ywx n LYS 61 N -5.15 0.00 -1.53 4.80 2.85 -1.25 -5.03 118.16 112.86 1ywx n LYS 61 Ca -0.04 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.88 1ywx n LYS 61 Cb 0.09 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.51 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 7.38 -4.85 -5.58 4.77 -1.26 -4.60 117.00 112.85 1ywx n LEU 62 Ca 0.00 -4.37 -0.21 0.00 -0.03 0.00 0.00 56.01 51.40 1ywx n LEU 62 Cb 0.00 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.00 1ywx n LEU 62 CO 0.00 1.58 -0.04 -0.70 -1.33 0.00 0.00 177.39 176.91 1ywx s GLU 63 N -3.47 2.51 -0.25 3.23 2.56 -1.26 -2.43 118.70 119.59 1ywx s GLU 63 Ca 0.56 -1.55 -0.09 0.00 0.00 0.00 0.00 54.97 53.90 1ywx s GLU 63 Cb 0.44 -2.33 0.11 0.00 2.00 0.00 0.00 34.13 34.35 1ywx s GLU 63 CO -0.19 -0.14 0.53 0.00 -0.56 0.00 0.00 175.26 174.90 1ywx s ALA 64 N -2.47 -1.57 -0.12 6.30 0.00 -0.50 0.21 121.76 123.60 1ywx s ALA 64 Ca 0.46 1.91 -0.06 0.00 0.00 0.00 0.00 51.96 54.27 1ywx s ALA 64 Cb -0.03 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1ywx s ALA 64 CO 0.27 -0.80 0.10 -2.00 0.00 0.00 0.00 175.76 173.33 1ywx s GLU 65 N 2.67 3.44 0.26 0.00 2.12 0.21 0.09 118.70 127.48 1ywx s GLU 65 Ca -0.04 -0.21 -0.21 0.00 0.36 0.00 0.00 54.97 54.87 1ywx s GLU 65 Cb -0.12 -3.12 0.03 0.00 0.26 0.00 0.00 34.13 31.17 1ywx s GLU 65 CO -0.16 0.69 0.68 0.20 -0.54 0.00 0.00 175.26 176.14 1ywx s GLY 66 N -0.80 -0.12 -0.00 -1.50 0.00 -0.98 0.19 107.32 104.10 1ywx s GLY 66 Ca 0.13 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.68 1ywx s GLY 66 CO 0.03 -0.10 -0.20 -0.47 0.00 0.00 0.00 173.10 172.36 1ywx s TYR 67 N -3.90 2.51 0.34 1.90 5.04 -0.16 -2.57 117.35 120.51 1ywx s TYR 67 Ca 0.10 -0.30 0.08 0.00 -2.44 0.00 0.00 57.07 54.51 1ywx s TYR 67 Cb -0.05 -1.52 -0.03 0.00 0.35 0.00 0.00 41.96 40.72 1ywx s TYR 67 CO 0.04 0.13 0.27 0.00 -1.34 0.00 0.00 175.55 174.65 1ywx s ALA 68 N -0.76 3.79 -0.01 3.97 0.00 0.27 -2.17 121.76 126.84 1ywx s ALA 68 Ca 0.12 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 1ywx s ALA 68 Cb -0.10 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1ywx s ALA 68 CO 0.02 0.00 0.19 0.21 0.00 0.00 0.00 175.76 176.18 1ywx s LYS 69 N -3.97 0.49 -0.04 0.00 2.36 -1.09 -3.47 119.74 114.02 1ywx s LYS 69 Ca 0.41 -0.24 -0.06 0.00 -2.55 0.00 0.00 55.97 53.53 1ywx s LYS 69 Cb -0.05 0.21 0.01 0.00 -1.05 0.00 0.00 37.83 36.95 1ywx s LYS 69 CO 0.26 -0.12 0.15 0.42 1.55 0.00 0.00 175.35 177.61 1ywx s ILE 70 N -1.14 0.03 0.29 5.43 1.01 -1.13 -3.25 121.20 122.44 1ywx s ILE 70 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1ywx s ILE 70 Cb -0.06 -0.29 -0.00 0.00 0.01 0.00 0.00 42.46 42.12 1ywx s ILE 70 CO 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 174.94 174.85 1ywx n TYR 71 N 2.51 0.62 -0.08 3.97 4.19 -1.25 0.88 117.16 128.00 1ywx n TYR 71 Ca -0.16 -1.49 -0.13 0.00 3.31 0.00 0.00 57.90 59.43 1ywx n TYR 71 Cb 0.58 -0.17 -0.04 0.00 0.49 0.00 0.00 39.34 40.19 1ywx n TYR 71 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ywx n ASN 72 N -1.25 1.63 -3.93 2.98 3.02 -1.08 -4.95 115.26 111.67 1ywx n ASN 72 Ca -0.11 0.27 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 1ywx n ASN 72 Cb 0.38 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.75 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 -6.33 1.10 0.60 6.41 1.47 -1.26 -5.00 116.67 113.66 1ywx s ASP 73 Ca -0.25 -0.17 0.40 0.00 1.18 0.00 0.00 52.55 53.71 1ywx s ASP 73 Cb 0.06 -0.51 2.07 0.00 -0.34 0.00 0.00 42.92 44.20 1ywx s ASP 73 CO 0.34 -0.02 2.21 -0.33 0.68 0.00 0.00 175.17 178.05 1ywx h GLU 74 N 7.04 0.00 -0.03 2.11 5.08 -1.97 -2.17 114.58 124.63 1ywx h GLU 74 Ca -0.36 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1ywx h GLU 74 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ywx h GLU 74 CO 0.48 0.00 -0.03 0.87 -1.00 0.00 0.00 179.01 179.32 1ywx h LYS 75 N 0.00 -0.05 0.08 2.33 1.57 -1.98 1.21 116.57 119.73 1ywx h LYS 75 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ywx h LYS 75 Cb 0.12 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ywx h LYS 75 CO 0.00 -0.03 -0.04 0.00 -0.57 0.00 0.00 179.45 178.81 1ywx h ALA 76 N 0.98 -0.11 -0.55 3.86 0.00 -1.84 -3.22 119.26 118.38 1ywx h ALA 76 Ca 0.03 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ywx h ALA 76 Cb 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1ywx h ALA 76 CO -0.06 -0.27 0.09 1.98 0.00 0.00 0.00 179.25 180.99 1ywx h MET 77 N -0.69 0.22 -1.03 0.00 1.85 -1.35 0.46 114.93 114.38 1ywx h MET 77 Ca -0.01 -0.01 0.30 0.00 -0.61 0.00 0.00 59.70 59.37 1ywx h MET 77 Cb 0.55 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.49 1ywx h MET 77 CO 0.02 0.14 0.79 0.00 -0.40 0.00 0.00 176.91 177.46 1ywx h ALA 78 N 1.44 2.95 0.00 0.39 0.00 0.15 0.16 119.26 124.35 1ywx h ALA 78 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ywx h ALA 78 Cb 0.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ywx h ALA 78 CO -0.38 -1.32 -0.23 1.15 0.00 0.00 0.00 179.25 178.46 1ywx h THR 79 N 0.00 0.00 0.00 0.00 2.02 -0.31 -3.43 112.91 111.19 1ywx h THR 79 Ca 0.49 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ywx h THR 79 Cb 2.06 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ywx h THR 79 CO -0.01 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 175.50 1ywx n ILE 80 N -3.37 0.00 -0.91 3.11 5.41 0.86 -4.63 119.36 119.84 1ywx n ILE 80 Ca -0.03 1.22 -0.36 0.00 1.00 0.00 0.00 62.75 64.57 1ywx n ILE 80 Cb 0.12 -1.90 0.07 0.00 -0.71 0.00 0.00 39.64 37.22 1ywx n ILE 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ywx n GLU 81 N -1.62 -0.40 -4.72 0.38 4.71 0.52 -5.01 120.64 114.50 1ywx n GLU 81 Ca 0.00 -0.11 -0.31 0.00 -0.01 0.00 0.00 57.16 56.72 1ywx n GLU 81 Cb 0.00 -1.23 -0.08 0.00 -1.01 0.00 0.00 31.44 29.12 1ywx n GLU 81 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1ywx s THR 82 N -2.08 1.25 -0.05 2.62 -4.23 -1.26 -4.83 115.64 107.06 1ywx s THR 82 Ca 0.43 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.20 1ywx s THR 82 Cb -0.02 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.76 1ywx s THR 82 CO 0.69 0.00 1.79 0.07 -0.54 0.00 0.00 174.62 176.63 1ywx h LYS 83 N 1.46 0.00 0.00 3.99 5.09 -1.95 0.30 116.57 125.47 1ywx h LYS 83 Ca -0.43 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.17 1ywx h LYS 83 Cb 1.30 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.64 1ywx h LYS 83 CO 0.74 0.00 -0.53 1.03 -2.09 0.00 0.00 179.45 178.59 1ywx h SER 84 N 0.00 0.46 0.14 7.07 0.87 -1.98 -1.13 113.55 118.98 1ywx h SER 84 Ca 0.00 -0.77 -0.01 0.00 -1.23 0.00 0.00 61.79 59.78 1ywx h SER 84 Cb 0.01 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1ywx h SER 84 CO 0.00 1.18 -0.07 0.58 -0.53 0.00 0.00 176.83 177.99 1ywx h VAL 85 N -0.20 0.89 -0.15 2.23 2.07 -1.50 -3.10 116.25 116.49 1ywx h VAL 85 Ca -0.07 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.30 1ywx h VAL 85 Cb 1.26 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1ywx h VAL 85 CO 0.11 0.24 0.16 -0.07 0.02 0.00 0.00 177.57 178.02 1ywx h LEU 86 N -0.86 0.00 -0.27 2.57 4.07 -1.16 -1.38 115.31 118.29 1ywx h LEU 86 Ca -0.02 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.99 1ywx h LEU 86 Cb 0.53 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.22 1ywx h LEU 86 CO 0.03 0.00 -0.06 -0.33 -1.08 0.00 0.00 178.44 177.00 1ywx h GLU 87 N 0.00 0.01 -0.03 1.13 4.39 -1.12 -2.81 114.58 116.14 1ywx h GLU 87 Ca 0.07 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1ywx h GLU 87 Cb 0.39 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1ywx h GLU 87 CO -0.00 0.00 -0.32 0.87 -1.16 0.00 0.00 179.01 178.40 1ywx h LYS 88 N 0.01 -0.36 -6.16 2.33 6.56 -1.29 -3.35 116.57 114.29 1ywx h LYS 88 Ca 0.13 0.02 -0.56 0.00 -1.06 0.00 0.00 60.65 59.18 1ywx h LYS 88 Cb 0.19 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 31.91 1ywx h LYS 88 CO -0.27 -0.24 1.33 1.21 -2.06 0.00 0.00 179.45 179.42 1ywx s ASN 89 N -3.87 5.68 0.50 0.86 2.47 -1.06 -4.92 114.94 114.61 1ywx s ASN 89 Ca -0.09 1.23 -0.20 0.00 0.42 0.00 0.00 52.86 54.22 1ywx s ASN 89 Cb 0.04 -2.52 -0.11 0.00 -1.45 0.00 0.00 41.25 37.21 1ywx s ASN 89 CO 0.36 -1.89 0.46 0.29 -3.72 0.00 0.00 177.10 172.60 1ywx n LYS 90 N 8.60 0.49 0.00 0.43 5.02 -1.26 -4.87 118.16 126.57 1ywx n LYS 90 Ca 0.24 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1ywx n LYS 90 Cb 0.48 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.34 0.00 -3.35 -0.18 2.08 -1.26 -5.08 119.36 110.23 1ywx n ILE 91 Ca 0.11 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.41 1ywx n ILE 91 Cb 0.44 -0.24 0.00 0.00 -0.75 0.00 0.00 39.64 39.10 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 -0.34 0.16 -4.45 0.38 4.07 -1.26 -5.19 120.64 114.01 1ywx n GLU 92 Ca 0.00 -0.32 -0.29 0.00 -0.06 0.00 0.00 57.16 56.48 1ywx n GLU 92 Cb 0.00 0.42 -0.06 0.00 -0.06 0.00 0.00 31.44 31.74 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 -0.11 0.83 -0.02 5.31 0.28 -1.26 -5.16 120.64 120.50 1ywx n GLU 93 Ca -0.01 -3.41 0.00 0.00 -0.16 0.00 0.00 57.16 53.59 1ywx n GLU 93 Cb 0.11 1.03 0.00 0.00 1.43 0.00 0.00 31.44 34.00 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 -1.13 1.31 0.00 3.44 0.28 -1.26 -5.11 120.64 118.16 1ywx n GLU 94 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1ywx n GLU 94 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 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 -0.12 -1.84 0.00 -1.26 -5.06 120.51 109.23 1ywx n ALA 95 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1ywx n ALA 95 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ywx n ALA 95 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ywx h GLU 96 N 0.00 -0.18 -1.24 0.00 5.08 -2.05 -3.44 114.58 112.76 1ywx h GLU 96 Ca 0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1ywx h GLU 96 Cb 0.00 0.04 -0.26 0.00 0.50 0.00 0.00 28.75 29.03 1ywx h GLU 96 CO 0.00 -0.12 0.34 0.00 -1.00 0.00 0.00 179.01 178.22 1ywx s ALA 97 N -4.87 -2.52 0.13 3.43 0.00 -1.26 -5.06 121.76 111.63 1ywx s ALA 97 Ca -0.08 2.11 -0.27 0.00 0.00 0.00 0.00 51.96 53.72 1ywx s ALA 97 Cb 0.05 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1ywx s ALA 97 CO 0.37 -0.63 1.60 0.93 0.00 0.00 0.00 175.76 178.02 1ywx h GLU 98 N 6.69 -0.42 -3.85 0.00 5.08 -2.02 -3.42 114.58 116.63 1ywx h GLU 98 Ca -0.22 0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 57.94 1ywx h GLU 98 Cb 1.15 0.10 -0.27 0.00 0.50 0.00 0.00 28.75 30.23 1ywx h GLU 98 CO 0.14 -0.28 -0.72 0.14 -1.00 0.00 0.00 179.01 177.29 1ywx s VAL 99 N -5.96 0.07 0.18 3.13 -7.23 -1.26 -5.12 120.40 104.22 1ywx s VAL 99 Ca -0.15 -0.17 -0.33 0.00 -1.81 0.00 0.00 61.98 59.52 1ywx s VAL 99 Cb 0.10 -0.09 -0.14 0.00 0.56 0.00 0.00 36.38 36.81 1ywx s VAL 99 CO 0.65 -0.06 1.51 0.00 -0.31 0.00 0.00 175.10 176.89 1ywx n ALA 100 N 2.83 1.16 -2.39 1.32 0.00 -1.26 -4.98 120.51 117.19 1ywx n ALA 100 Ca -0.14 0.44 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 1ywx n ALA 100 Cb 0.59 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.67 1ywx n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ywx s GLU 101 N 0.44 2.33 0.00 0.00 2.12 -1.26 -5.23 118.70 117.10 1ywx s GLU 101 Ca 0.75 -1.72 0.00 0.00 0.36 0.00 0.00 54.97 54.37 1ywx s GLU 101 Cb -0.68 -2.12 0.00 0.00 0.26 0.00 0.00 34.13 31.59 1ywx s GLU 101 CO 0.42 -0.10 0.33 -0.85 -0.54 0.00 0.00 175.26 174.52