#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 4.27 -0.05 7.83 1.01 -0.89 -5.02 116.67 123.82 1ywx s ASP 2 Ca 0.00 -2.17 0.03 0.00 0.71 0.00 0.00 52.55 51.12 1ywx s ASP 2 Cb 0.00 -1.27 -0.03 0.00 1.01 0.00 0.00 42.92 42.63 1ywx s ASP 2 CO 0.00 -0.35 -0.11 -0.63 0.21 0.00 0.00 175.17 174.29 1ywx s ILE 3 N 0.90 3.34 -0.09 0.77 1.01 -1.26 0.13 121.20 126.01 1ywx s ILE 3 Ca 0.12 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1ywx s ILE 3 Cb -0.20 -2.34 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1ywx s ILE 3 CO -0.11 0.58 -0.12 -0.55 0.00 0.00 0.00 174.94 174.74 1ywx s SER 4 N -0.80 2.02 -0.01 3.58 0.15 0.11 -4.96 113.70 113.79 1ywx s SER 4 Ca 0.12 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.14 1ywx s SER 4 Cb -0.11 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.28 1ywx s SER 4 CO 0.01 -0.00 0.97 -0.63 1.20 0.00 0.00 173.24 174.79 1ywx s ILE 5 N 0.97 4.87 -0.16 6.45 -1.09 -1.26 0.60 121.20 131.57 1ywx s ILE 5 Ca -0.08 2.04 -0.13 0.00 -2.23 0.00 0.00 60.65 60.25 1ywx s ILE 5 Cb -0.15 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 1ywx s ILE 5 CO -0.00 0.15 -0.17 -0.38 -1.23 0.00 0.00 174.94 173.30 1ywx n ILE 6 N 3.96 1.45 -4.10 2.92 2.08 -0.01 -4.94 119.36 120.73 1ywx n ILE 6 Ca 0.06 0.14 -0.10 0.00 0.56 0.00 0.00 62.75 63.41 1ywx n ILE 6 Cb 0.51 -2.31 -0.10 0.00 -0.75 0.00 0.00 39.64 36.98 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 -6.00 0.80 -0.39 4.38 1.04 -0.75 -5.00 113.70 107.77 1ywx s SER 7 Ca -0.21 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.41 1ywx s SER 7 Cb 0.04 0.11 0.13 0.00 0.10 0.00 0.00 66.02 66.39 1ywx s SER 7 CO 0.32 -0.41 0.21 1.51 0.98 0.00 0.00 173.24 175.86 1ywx s ASP 8 N -2.44 3.43 0.23 7.02 -4.77 -1.26 -1.62 116.67 117.26 1ywx s ASP 8 Ca 0.02 -2.34 -0.00 0.00 -3.30 0.00 0.00 52.55 46.92 1ywx s ASP 8 Cb 0.00 -0.77 -0.04 0.00 -1.09 0.00 0.00 42.92 41.02 1ywx s ASP 8 CO -0.04 -0.30 0.42 -0.13 0.70 0.00 0.00 175.17 175.82 1ywx s ARG 9 N 0.77 3.51 -0.04 2.11 1.81 -0.38 -5.01 118.95 121.73 1ywx s ARG 9 Ca 0.17 -0.36 0.02 0.00 -1.72 0.00 0.00 55.73 53.84 1ywx s ARG 9 Cb -0.23 -2.80 0.01 0.00 -0.45 0.00 0.00 34.95 31.47 1ywx s ARG 9 CO -0.02 0.35 -0.09 1.21 -0.68 0.00 0.00 175.30 176.07 1ywx s ASN 10 N -3.37 1.30 -0.45 0.23 2.47 -1.26 -3.17 114.94 110.69 1ywx s ASN 10 Ca 0.39 -0.20 0.03 0.00 0.42 0.00 0.00 52.86 53.49 1ywx s ASN 10 Cb -0.11 -0.43 0.13 0.00 -1.45 0.00 0.00 41.25 39.39 1ywx s ASN 10 CO 0.30 0.05 0.22 0.20 -3.72 0.00 0.00 177.10 174.15 1ywx s ASN 11 N 0.36 3.99 0.02 -4.21 0.02 -0.17 -4.94 114.94 110.01 1ywx s ASN 11 Ca -0.06 -2.66 -0.19 0.00 -1.02 0.00 0.00 52.86 48.93 1ywx s ASN 11 Cb -0.11 -1.28 -0.21 0.00 0.02 0.00 0.00 41.25 39.67 1ywx s ASN 11 CO 0.01 -0.27 1.15 1.55 0.02 0.00 0.00 177.10 179.56 1ywx h PRO 12 N 6.81 0.47 0.00 -0.60 0.13 -1.93 1.43 132.00 138.32 1ywx h PRO 12 Ca -0.05 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ywx h PRO 12 Cb 0.93 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ywx h PRO 12 CO 0.56 1.10 0.00 1.28 -0.23 0.00 0.00 178.00 180.71 1ywx n LEU 13 N -4.19 0.00 0.12 1.56 4.32 -1.26 0.68 117.00 118.23 1ywx n LEU 13 Ca -0.10 0.53 0.09 0.00 -0.02 0.00 0.00 56.01 56.52 1ywx n LEU 13 Cb 0.66 -0.03 0.47 0.00 -1.62 0.00 0.00 43.42 42.90 1ywx n LEU 13 CO 0.47 -0.03 0.79 0.18 -1.22 0.00 0.00 177.39 177.58 1ywx n LEU 14 N -1.11 0.48 -1.18 2.23 4.77 -1.26 -4.82 117.00 116.11 1ywx n LEU 14 Ca 0.00 0.69 -0.07 0.00 -0.03 0.00 0.00 56.01 56.59 1ywx n LEU 14 Cb 0.00 -0.70 0.01 0.00 -2.33 0.00 0.00 43.42 40.40 1ywx n LEU 14 CO 0.00 -0.75 0.00 0.00 -1.33 0.00 0.00 177.39 175.31 1ywx n GLN 15 N -2.11 -1.67 -4.47 3.23 6.02 0.21 -4.91 117.38 113.70 1ywx n GLN 15 Ca -0.00 0.30 -0.28 0.00 -0.01 0.00 0.00 57.00 57.01 1ywx n GLN 15 Cb 0.09 -3.90 -0.08 0.00 1.02 0.00 0.00 30.24 27.36 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 -4.93 2.12 -0.04 -1.09 1.81 0.48 -2.77 118.95 114.53 1ywx s ARG 16 Ca 0.10 -2.11 -0.00 0.00 -1.72 0.00 0.00 55.73 52.01 1ywx s ARG 16 Cb -0.05 -1.74 0.03 0.00 -0.45 0.00 0.00 34.95 32.74 1ywx s ARG 16 CO 0.13 -0.19 -0.00 0.50 -0.68 0.00 0.00 175.30 175.05 1ywx s ARG 17 N -3.85 0.40 -0.28 3.54 6.06 0.21 -1.00 118.95 124.02 1ywx s ARG 17 Ca 0.29 0.08 0.03 0.00 -2.50 0.00 0.00 55.73 53.63 1ywx s ARG 17 Cb 0.05 -0.62 0.07 0.00 0.06 0.00 0.00 34.95 34.51 1ywx s ARG 17 CO 0.16 -0.17 -0.07 -1.21 -2.50 0.00 0.00 175.30 171.51 1ywx s GLU 18 N 1.27 2.00 -0.09 5.12 2.02 -1.19 -1.73 118.70 126.09 1ywx s GLU 18 Ca -0.06 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 53.50 1ywx s GLU 18 Cb -0.13 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.17 1ywx s GLU 18 CO -0.02 -0.67 -0.16 0.42 0.02 0.00 0.00 175.26 174.85 1ywx s ILE 19 N 1.07 1.51 -0.04 -1.63 1.01 -1.07 -1.25 121.20 120.81 1ywx s ILE 19 Ca -0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1ywx s ILE 19 Cb -0.20 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 1ywx s ILE 19 CO -0.06 0.44 0.09 -0.75 0.00 0.00 0.00 174.94 174.66 1ywx s LYS 20 N 0.75 3.18 0.37 2.79 2.36 -0.64 0.70 119.74 129.25 1ywx s LYS 20 Ca -0.12 -0.38 -0.15 0.00 -2.55 0.00 0.00 55.97 52.78 1ywx s LYS 20 Cb -0.16 -2.95 0.06 0.00 -1.05 0.00 0.00 37.83 33.73 1ywx s LYS 20 CO 0.02 0.69 0.78 1.97 1.55 0.00 0.00 175.35 180.36 1ywx n PHE 21 N 1.49 -2.27 -4.19 4.03 -1.74 -0.98 -0.83 117.46 112.97 1ywx n PHE 21 Ca -0.15 -1.76 -0.17 0.00 -0.56 0.00 0.00 57.45 54.81 1ywx n PHE 21 Cb 0.53 0.88 -0.12 0.00 1.52 0.00 0.00 39.48 42.29 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 -2.13 0.92 -0.09 1.97 2.01 0.20 -2.34 115.64 116.18 1ywx s THR 22 Ca 0.16 -1.10 0.04 0.00 0.31 0.00 0.00 61.69 61.10 1ywx s THR 22 Cb -0.05 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1ywx s THR 22 CO 0.11 -0.18 -0.21 0.54 -0.69 0.00 0.00 174.62 174.19 1ywx s VAL 23 N -1.11 1.86 -0.06 3.82 0.11 0.29 0.08 120.40 125.39 1ywx s VAL 23 Ca -0.03 -0.90 0.06 0.00 -2.93 0.00 0.00 61.98 58.18 1ywx s VAL 23 Cb -0.09 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.13 1ywx s VAL 23 CO 0.01 0.51 -0.23 -0.55 -3.33 0.00 0.00 175.10 171.51 1ywx s SER 24 N 0.42 3.22 -0.20 3.54 0.15 0.36 -0.26 113.70 120.93 1ywx s SER 24 Ca -0.18 -0.47 -0.28 0.00 0.70 0.00 0.00 55.95 55.72 1ywx s SER 24 Cb -0.17 -0.84 0.12 0.00 -1.71 0.00 0.00 66.02 63.41 1ywx s SER 24 CO 0.08 0.26 0.97 0.72 1.20 0.00 0.00 173.24 176.46 1ywx s PHE 25 N -0.23 -0.45 -0.46 3.44 -0.71 -1.03 -2.09 117.98 116.45 1ywx s PHE 25 Ca -0.01 0.91 0.03 0.00 -1.04 0.00 0.00 56.93 56.82 1ywx s PHE 25 Cb -0.13 0.41 0.12 0.00 -1.21 0.00 0.00 43.02 42.21 1ywx s PHE 25 CO 0.03 -0.33 0.21 -0.51 -1.34 0.00 0.00 175.22 173.28 1ywx s ASP 26 N -0.59 4.26 0.00 1.98 1.01 -1.26 -4.68 116.67 117.40 1ywx s ASP 26 Ca -0.01 -2.70 0.00 0.00 0.71 0.00 0.00 52.55 50.55 1ywx s ASP 26 Cb -0.02 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.43 1ywx s ASP 26 CO -0.00 -0.28 0.00 0.00 0.21 0.00 0.00 175.17 175.10 1ywx n ALA 27 N 3.51 0.00 -3.30 5.23 0.00 -1.26 -5.16 120.51 119.53 1ywx n ALA 27 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 1ywx n ALA 27 Cb 0.35 0.00 -0.03 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 -1.40 -0.29 0.00 0.00 -1.26 -5.13 121.76 112.68 1ywx s ALA 28 Ca 0.00 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.06 1ywx s ALA 28 Cb 0.00 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.88 1ywx s ALA 28 CO 0.00 -0.70 1.17 0.99 0.00 0.00 0.00 175.76 177.22 1ywx s THR 29 N -3.54 4.37 0.00 0.00 2.01 -1.26 -5.02 115.64 112.19 1ywx s THR 29 Ca 0.00 1.58 0.00 0.00 0.31 0.00 0.00 61.69 63.58 1ywx s THR 29 Cb -0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1ywx s THR 29 CO -0.11 -0.43 0.00 -0.81 -0.69 0.00 0.00 174.62 172.58 1ywx n PRO 30 N 6.97 0.72 -4.18 4.92 -0.04 -1.26 -5.10 135.00 137.03 1ywx n PRO 30 Ca 0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 1ywx n PRO 30 Cb 0.47 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 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 4.43 0.01 3.54 0.01 -1.26 -4.99 113.70 114.20 1ywx s SER 31 Ca 0.00 -1.25 -0.26 0.00 1.31 0.00 0.00 55.95 55.75 1ywx s SER 31 Cb 0.00 0.01 -0.15 0.00 0.21 0.00 0.00 66.02 66.08 1ywx s SER 31 CO 0.00 -0.78 1.17 0.40 0.41 0.00 0.00 173.24 174.44 1ywx h ILE 32 N 1.20 0.31 -0.19 1.44 2.04 -1.98 0.34 117.51 120.67 1ywx h ILE 32 Ca -0.41 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.09 1ywx h ILE 32 Cb 1.28 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1ywx h ILE 32 CO 0.67 0.05 0.14 0.50 0.00 0.00 0.00 178.15 179.51 1ywx h LYS 33 N -1.02 0.00 -0.02 2.37 3.11 -1.97 1.47 116.57 120.51 1ywx h LYS 33 Ca -0.07 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.57 1ywx h LYS 33 Cb 0.62 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.85 1ywx h LYS 33 CO 0.12 0.00 -0.85 0.22 -2.81 0.00 0.00 179.45 176.13 1ywx h ASP 34 N 0.00 0.40 0.06 4.20 3.58 -1.90 -2.93 116.42 119.83 1ywx h ASP 34 Ca 0.09 -0.30 -0.08 0.00 0.42 0.00 0.00 57.03 57.15 1ywx h ASP 34 Cb 0.37 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.31 1ywx h ASP 34 CO -0.00 1.08 -0.36 0.58 -2.88 0.00 0.00 179.24 177.66 1ywx h VAL 35 N 0.19 1.66 -0.87 2.25 2.07 0.28 -3.22 116.25 118.61 1ywx h VAL 35 Ca -0.05 -2.40 0.25 0.00 0.82 0.00 0.00 66.70 65.32 1ywx h VAL 35 Cb 1.45 3.28 -0.03 0.00 -1.52 0.00 0.00 31.29 34.47 1ywx h VAL 35 CO 0.14 0.65 0.72 0.07 0.02 0.00 0.00 177.57 179.17 1ywx h LYS 36 N -0.70 0.00 -0.02 1.57 2.10 0.18 0.20 116.57 119.90 1ywx h LYS 36 Ca -0.06 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1ywx h LYS 36 Cb 1.27 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.55 1ywx h LYS 36 CO 0.07 0.00 -0.36 0.52 -2.00 0.00 0.00 179.45 177.67 1ywx h MET 37 N 0.00 -0.49 -0.11 0.07 2.86 -1.52 0.75 114.93 116.49 1ywx h MET 37 Ca 0.41 0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 58.00 1ywx h MET 37 Cb 1.85 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.62 1ywx h MET 37 CO -0.00 -0.33 -0.26 0.87 1.06 0.00 0.00 176.91 178.25 1ywx h LYS 38 N -0.51 0.37 -1.01 1.72 6.56 -1.17 -3.06 116.57 119.48 1ywx h LYS 38 Ca 0.06 -0.25 0.23 0.00 -1.06 0.00 0.00 60.65 59.63 1ywx h LYS 38 Cb 0.60 0.04 -0.11 0.00 -0.57 0.00 0.00 32.23 32.19 1ywx h LYS 38 CO -0.30 0.86 0.61 -0.07 -2.06 0.00 0.00 179.45 178.49 1ywx h LEU 39 N -0.06 0.66 -0.84 2.94 3.38 -0.95 0.73 115.31 121.16 1ywx h LEU 39 Ca -0.00 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1ywx h LEU 39 Cb 0.87 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.54 1ywx h LEU 39 CO 0.06 0.16 0.49 0.58 0.09 0.00 0.00 178.44 179.82 1ywx h VAL 40 N 0.60 0.91 -0.09 1.22 2.07 0.62 1.51 116.25 123.09 1ywx h VAL 40 Ca 0.61 -0.28 -0.24 0.00 0.82 0.00 0.00 66.70 67.61 1ywx h VAL 40 Cb 1.17 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1ywx h VAL 40 CO -0.40 0.15 -0.86 0.00 0.02 0.00 0.00 177.57 176.47 1ywx h ALA 41 N 1.46 0.23 0.24 1.67 0.00 0.23 1.43 119.26 124.52 1ywx h ALA 41 Ca 0.41 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ywx h ALA 41 Cb 0.38 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ywx h ALA 41 CO -0.25 0.66 -0.11 0.28 0.00 0.00 0.00 179.25 179.83 1ywx h VAL 42 N 0.45 0.80 -0.14 0.00 2.07 0.87 -3.08 116.25 117.23 1ywx h VAL 42 Ca -0.08 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.06 1ywx h VAL 42 Cb 1.50 0.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1ywx h VAL 42 CO 0.17 0.04 -0.69 -0.07 0.02 0.00 0.00 177.57 177.04 1ywx h LEU 43 N -0.41 0.85 -2.25 2.57 3.38 0.20 -3.48 115.31 116.18 1ywx h LEU 43 Ca -0.03 -0.63 -0.14 0.00 0.09 0.00 0.00 57.88 57.17 1ywx h LEU 43 Cb 0.31 -0.25 0.08 0.00 0.09 0.00 0.00 40.66 40.89 1ywx h LEU 43 CO 0.05 1.35 -0.37 -3.20 0.09 0.00 0.00 178.44 176.36 1ywx n ASN 44 N -4.03 -2.98 -1.97 -0.43 5.15 0.49 -5.06 115.26 106.43 1ywx n ASN 44 Ca -0.08 -0.30 -0.06 0.00 -0.60 0.00 0.00 54.58 53.54 1ywx n ASN 44 Cb 0.70 -2.65 -0.02 0.00 -0.53 0.00 0.00 39.78 37.28 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 -2.38 0.13 -1.74 5.20 0.00 -1.13 -5.04 120.51 115.55 1ywx n ALA 45 Ca -0.09 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 1ywx n ALA 45 Cb 0.57 0.32 -0.03 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.56 6.47 0.36 0.00 2.47 -1.26 -4.84 114.94 116.58 1ywx s ASN 46 Ca 0.05 2.65 0.13 0.00 0.42 0.00 0.00 52.86 56.11 1ywx s ASN 46 Cb 0.00 -2.55 0.94 0.00 -1.45 0.00 0.00 41.25 38.20 1ywx s ASN 46 CO 0.04 -1.01 1.79 0.07 -3.72 0.00 0.00 177.10 174.26 1ywx h LYS 47 N 9.54 0.54 0.00 0.43 5.09 -1.98 -3.40 116.57 126.79 1ywx h LYS 47 Ca -0.47 -0.03 -0.42 0.00 0.09 0.00 0.00 60.65 59.82 1ywx h LYS 47 Cb 1.22 -0.12 0.12 0.00 0.10 0.00 0.00 32.23 33.55 1ywx h LYS 47 CO 0.94 0.36 0.24 1.04 -2.09 0.00 0.00 179.45 179.94 1ywx n GLN 48 N -4.68 -0.59 -2.77 0.07 6.02 -1.26 -4.19 117.38 109.98 1ywx n GLN 48 Ca 0.24 -2.29 -0.13 0.00 -0.01 0.00 0.00 57.00 54.81 1ywx n GLN 48 Cb 0.71 -0.92 -0.01 0.00 1.02 0.00 0.00 30.24 31.05 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 -3.20 -0.54 -4.13 5.09 0.24 -1.26 -4.90 118.33 109.62 1ywx n VAL 49 Ca 0.16 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.28 1ywx n VAL 49 Cb 0.55 -1.32 -0.16 0.00 -1.47 0.00 0.00 33.84 31.44 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 -5.76 1.55 0.32 1.34 0.20 -1.26 -3.06 118.68 112.00 1ywx s LEU 50 Ca 0.13 -0.10 -0.12 0.00 0.69 0.00 0.00 54.13 54.73 1ywx s LEU 50 Cb -0.07 -0.35 0.02 0.00 -0.43 0.00 0.00 46.19 45.35 1ywx s LEU 50 CO 0.17 -0.02 0.60 -0.69 -0.29 0.00 0.00 176.35 176.12 1ywx s VAL 51 N 0.55 0.00 0.09 1.68 1.01 -1.05 -5.07 120.40 117.61 1ywx s VAL 51 Ca -0.07 -1.28 0.03 0.00 0.00 0.00 0.00 61.98 60.66 1ywx s VAL 51 Cb -0.10 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1ywx s VAL 51 CO -0.00 0.00 0.11 -0.69 0.00 0.00 0.00 175.10 174.52 1ywx s VAL 52 N -3.27 4.67 -0.12 2.92 1.01 -1.26 -1.50 120.40 122.85 1ywx s VAL 52 Ca 0.21 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1ywx s VAL 52 Cb -0.03 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 1ywx s VAL 52 CO 0.12 0.10 0.29 0.44 0.00 0.00 0.00 175.10 176.06 1ywx h ASP 53 N 3.15 0.00 -4.99 3.32 3.32 -0.44 -3.45 116.42 117.33 1ywx h ASP 53 Ca -0.47 -0.39 0.17 0.00 0.02 0.00 0.00 57.03 56.37 1ywx h ASP 53 Cb 1.17 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1ywx h ASP 53 CO 0.67 0.72 0.56 -0.89 -1.72 0.00 0.00 179.24 178.58 1ywx s THR 54 N -1.84 0.00 0.19 0.35 2.01 -1.09 -4.96 115.64 110.30 1ywx s THR 54 Ca -0.08 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.58 1ywx s THR 54 Cb -0.01 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1ywx s THR 54 CO 0.28 0.00 0.24 -0.22 -0.69 0.00 0.00 174.62 174.23 1ywx s LEU 55 N -2.68 1.01 -0.30 4.42 2.96 -1.26 0.29 118.68 123.12 1ywx s LEU 55 Ca 0.09 -1.13 -0.09 0.00 -0.22 0.00 0.00 54.13 52.78 1ywx s LEU 55 Cb -0.00 0.89 0.15 0.00 0.50 0.00 0.00 46.19 47.72 1ywx s LEU 55 CO -0.04 -0.90 0.72 -1.81 -1.32 0.00 0.00 176.35 172.99 1ywx s ASP 56 N -3.06 -1.07 0.43 3.68 1.01 0.32 -4.91 116.67 113.07 1ywx s ASP 56 Ca 0.27 1.27 -0.25 0.00 0.71 0.00 0.00 52.55 54.55 1ywx s ASP 56 Cb 0.04 2.14 -0.08 0.00 1.01 0.00 0.00 42.92 46.03 1ywx s ASP 56 CO 0.07 -0.20 1.31 -1.58 0.21 0.00 0.00 175.17 174.97 1ywx s GLN 57 N 2.81 3.84 -0.07 8.23 0.74 -1.26 -0.60 119.66 133.35 1ywx s GLN 57 Ca -0.01 2.16 -0.18 0.00 0.05 0.00 0.00 55.36 57.38 1ywx s GLN 57 Cb -0.11 -2.67 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 1ywx s GLN 57 CO -0.19 -0.60 0.49 0.42 -0.55 0.00 0.00 175.29 174.86 1ywx s ILE 58 N -1.29 5.08 -0.03 -2.34 -1.09 0.73 -4.86 121.20 117.41 1ywx s ILE 58 Ca 0.59 1.00 -0.21 0.00 -2.23 0.00 0.00 60.65 59.80 1ywx s ILE 58 Cb -0.38 -3.82 -0.29 0.00 -1.58 0.00 0.00 42.46 36.39 1ywx s ILE 58 CO 0.48 0.40 0.95 0.15 -1.23 0.00 0.00 174.94 175.70 1ywx h PHE 59 N 6.03 0.55 -0.95 3.97 3.57 -1.94 -3.35 116.94 124.81 1ywx h PHE 59 Ca -0.44 -0.37 0.11 0.00 3.53 0.00 0.00 57.97 60.80 1ywx h PHE 59 Cb 1.19 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.77 1ywx h PHE 59 CO 0.65 1.26 -0.48 0.41 -2.23 0.00 0.00 178.31 177.91 1ywx n GLY 60 N 1.49 -2.26 0.00 2.40 0.00 -1.26 -4.76 105.19 100.80 1ywx n GLY 60 Ca -0.13 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1ywx n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ywx n LYS 61 N -5.29 0.54 -1.31 1.61 2.85 -1.26 -5.02 118.16 110.29 1ywx n LYS 61 Ca 0.05 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.06 1ywx n LYS 61 Cb 0.31 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.68 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 6.68 -4.88 -5.58 4.77 -1.26 -4.55 117.00 112.18 1ywx n LEU 62 Ca 0.00 -3.90 -0.21 0.00 -0.03 0.00 0.00 56.01 51.88 1ywx n LEU 62 Cb 0.00 -1.14 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1ywx n LEU 62 CO 0.00 1.54 -0.07 -0.70 -1.33 0.00 0.00 177.39 176.83 1ywx s GLU 63 N -2.15 2.90 -0.17 3.23 2.12 -1.26 -2.47 118.70 120.89 1ywx s GLU 63 Ca 0.50 -1.15 -0.09 0.00 0.36 0.00 0.00 54.97 54.58 1ywx s GLU 63 Cb 0.35 -2.59 0.06 0.00 0.26 0.00 0.00 34.13 32.21 1ywx s GLU 63 CO -0.14 0.18 0.40 0.00 -0.54 0.00 0.00 175.26 175.15 1ywx s ALA 64 N -2.22 -1.02 -0.04 6.30 0.00 0.64 0.26 121.76 125.67 1ywx s ALA 64 Ca 0.40 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.88 1ywx s ALA 64 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1ywx s ALA 64 CO 0.27 -0.26 -0.14 -2.00 0.00 0.00 0.00 175.76 173.63 1ywx s GLU 65 N 1.35 2.49 0.23 0.00 2.12 0.23 0.10 118.70 125.21 1ywx s GLU 65 Ca -0.09 -0.71 -0.22 0.00 0.36 0.00 0.00 54.97 54.31 1ywx s GLU 65 Cb -0.08 -2.38 0.04 0.00 0.26 0.00 0.00 34.13 31.97 1ywx s GLU 65 CO -0.12 0.62 0.84 0.20 -0.54 0.00 0.00 175.26 176.26 1ywx s GLY 66 N -0.79 -0.12 0.03 -1.50 0.00 -0.99 0.12 107.32 104.07 1ywx s GLY 66 Ca 0.12 -0.15 0.07 0.00 0.00 0.00 0.00 44.72 44.76 1ywx s GLY 66 CO 0.01 0.01 -0.19 -0.47 0.00 0.00 0.00 173.10 172.46 1ywx s TYR 67 N -3.52 2.53 0.23 1.90 6.04 0.15 -2.32 117.35 122.36 1ywx s TYR 67 Ca 0.12 -0.27 0.06 0.00 0.04 0.00 0.00 57.07 57.02 1ywx s TYR 67 Cb -0.04 -1.47 -0.03 0.00 -1.04 0.00 0.00 41.96 39.38 1ywx s TYR 67 CO 0.05 0.22 0.24 0.00 -1.54 0.00 0.00 175.55 174.52 1ywx s ALA 68 N -0.89 3.71 -0.01 3.97 0.00 0.22 0.26 121.76 129.02 1ywx s ALA 68 Ca 0.14 -1.30 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1ywx s ALA 68 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.55 1ywx s ALA 68 CO 0.04 0.31 0.16 0.21 0.00 0.00 0.00 175.76 176.48 1ywx s LYS 69 N -3.71 0.45 -0.08 0.00 2.36 -0.56 -2.61 119.74 115.59 1ywx s LYS 69 Ca 0.33 -0.28 -0.03 0.00 -2.55 0.00 0.00 55.97 53.44 1ywx s LYS 69 Cb -0.09 0.19 0.04 0.00 -1.05 0.00 0.00 37.83 36.93 1ywx s LYS 69 CO 0.26 -0.11 0.17 0.42 1.55 0.00 0.00 175.35 177.64 1ywx s ILE 70 N -1.14 -0.09 0.19 5.43 1.01 -0.71 -2.52 121.20 123.37 1ywx s ILE 70 Ca -0.12 0.20 0.06 0.00 0.00 0.00 0.00 60.65 60.79 1ywx s ILE 70 Cb -0.06 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1ywx s ILE 70 CO 0.02 0.08 0.11 -0.31 0.00 0.00 0.00 174.94 174.84 1ywx s TYR 71 N 1.39 3.06 0.00 3.97 2.02 -1.17 -0.62 117.35 125.99 1ywx s TYR 71 Ca -0.07 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1ywx s TYR 71 Cb -0.11 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1ywx s TYR 71 CO -0.06 0.52 0.18 0.09 -1.57 0.00 0.00 175.55 174.71 1ywx n ASN 72 N -0.47 0.00 -4.02 2.29 3.02 -1.12 -4.84 115.26 110.12 1ywx n ASN 72 Ca -0.08 0.42 -0.26 0.00 -0.03 0.00 0.00 54.58 54.63 1ywx n ASN 72 Cb 0.56 -0.30 -0.17 0.00 -0.61 0.00 0.00 39.78 39.26 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 -2.16 1.96 0.61 6.41 -4.77 -1.26 -4.99 116.67 112.47 1ywx s ASP 73 Ca 0.00 -0.32 0.25 0.00 -3.30 0.00 0.00 52.55 49.18 1ywx s ASP 73 Cb 0.00 -0.88 1.16 0.00 -1.09 0.00 0.00 42.92 42.11 1ywx s ASP 73 CO 0.00 0.01 1.60 -0.33 0.70 0.00 0.00 175.17 177.16 1ywx h GLU 74 N 7.20 0.00 -0.23 2.11 5.08 -1.98 0.45 114.58 127.21 1ywx h GLU 74 Ca -0.30 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1ywx h GLU 74 Cb 1.18 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1ywx h GLU 74 CO 0.47 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 179.33 1ywx h LYS 75 N 0.00 0.04 0.13 2.33 1.57 -1.98 1.53 116.57 120.20 1ywx h LYS 75 Ca 0.26 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1ywx h LYS 75 Cb 1.79 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.09 1ywx h LYS 75 CO -0.00 0.03 -0.06 0.00 -0.57 0.00 0.00 179.45 178.84 1ywx h ALA 76 N 1.21 -0.18 -0.72 3.86 0.00 -0.55 -3.23 119.26 119.66 1ywx h ALA 76 Ca 0.11 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1ywx h ALA 76 Cb 0.15 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1ywx h ALA 76 CO -0.20 -0.31 0.27 1.98 0.00 0.00 0.00 179.25 180.99 1ywx h MET 77 N -0.76 0.41 -0.97 0.00 1.85 -1.26 1.68 114.93 115.87 1ywx h MET 77 Ca -0.02 -0.02 0.28 0.00 -0.61 0.00 0.00 59.70 59.33 1ywx h MET 77 Cb 0.54 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.44 1ywx h MET 77 CO 0.03 0.27 0.70 0.00 -0.40 0.00 0.00 176.91 177.51 1ywx h ALA 78 N 1.52 2.91 0.00 0.39 0.00 0.22 -0.05 119.26 124.25 1ywx h ALA 78 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ywx h ALA 78 Cb 0.58 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ywx h ALA 78 CO -0.39 -1.19 -0.90 2.41 0.00 0.00 0.00 179.25 179.18 1ywx n THR 79 N -4.25 1.39 0.00 0.00 -1.04 0.15 -4.73 114.28 105.81 1ywx n THR 79 Ca 0.20 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.38 1ywx n THR 79 Cb 1.03 -2.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 1ywx n THR 79 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ywx n ILE 80 N -4.34 0.00 -0.42 12.58 5.41 0.53 -4.60 119.36 128.52 1ywx n ILE 80 Ca -0.13 1.25 -0.27 0.00 1.00 0.00 0.00 62.75 64.60 1ywx n ILE 80 Cb 0.47 -1.87 0.23 0.00 -0.71 0.00 0.00 39.64 37.76 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 -1.83 -3.25 -4.52 0.38 4.71 -0.05 -5.03 120.64 111.06 1ywx n GLU 81 Ca 0.00 -0.95 -0.26 0.00 -0.01 0.00 0.00 57.16 55.94 1ywx n GLU 81 Cb 0.00 -1.82 -0.08 0.00 -1.01 0.00 0.00 31.44 28.53 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 -2.18 0.63 0.59 2.62 -4.23 -1.26 -4.80 115.64 107.00 1ywx s THR 82 Ca 0.58 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1ywx s THR 82 Cb -0.14 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 71.71 1ywx s THR 82 CO 0.54 0.00 2.15 0.07 -0.54 0.00 0.00 174.62 176.85 1ywx h LYS 83 N 1.78 0.00 -0.64 3.99 -0.00 -1.96 0.78 116.57 120.52 1ywx h LYS 83 Ca -0.36 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.25 1ywx h LYS 83 Cb 1.27 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.48 1ywx h LYS 83 CO 0.57 0.00 0.23 1.03 -0.00 0.00 0.00 179.45 181.28 1ywx h SER 84 N 0.00 0.91 0.09 7.07 0.87 -1.98 0.19 113.55 120.70 1ywx h SER 84 Ca 0.06 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1ywx h SER 84 Cb 0.33 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1ywx h SER 84 CO -0.00 0.85 -0.04 0.58 -0.53 0.00 0.00 176.83 177.69 1ywx h VAL 85 N 0.91 0.00 -0.46 2.23 2.07 -1.32 -3.24 116.25 116.44 1ywx h VAL 85 Ca 0.21 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 67.09 1ywx h VAL 85 Cb 0.25 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1ywx h VAL 85 CO -0.01 0.00 0.67 -0.07 0.02 0.00 0.00 177.57 178.18 1ywx h LEU 86 N -0.89 0.00 -0.39 2.57 4.07 -1.14 0.41 115.31 119.93 1ywx h LEU 86 Ca -0.01 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1ywx h LEU 86 Cb 0.09 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1ywx h LEU 86 CO 0.02 0.00 0.15 -0.33 -1.08 0.00 0.00 178.44 177.20 1ywx h GLU 87 N 0.00 0.30 -0.38 1.13 4.39 -0.63 -0.74 114.58 118.64 1ywx h GLU 87 Ca 0.22 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 1ywx h GLU 87 Cb 1.56 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1ywx h GLU 87 CO -0.00 0.20 0.10 1.57 -1.16 0.00 0.00 179.01 179.72 1ywx h LYS 88 N 0.31 0.56 -6.16 2.33 2.10 -0.29 -3.39 116.57 112.03 1ywx h LYS 88 Ca 0.18 -0.09 -0.54 0.00 -2.00 0.00 0.00 60.65 58.19 1ywx h LYS 88 Cb 0.14 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.35 1ywx h LYS 88 CO -0.17 0.51 1.31 1.21 -2.00 0.00 0.00 179.45 180.30 1ywx s ASN 89 N -6.70 5.64 0.52 7.07 3.84 -0.28 -4.92 114.94 120.10 1ywx s ASN 89 Ca -0.08 0.93 -0.18 0.00 0.21 0.00 0.00 52.86 53.74 1ywx s ASN 89 Cb 0.16 -2.53 -0.13 0.00 -0.55 0.00 0.00 41.25 38.21 1ywx s ASN 89 CO 0.76 -1.97 0.12 0.29 -2.79 0.00 0.00 177.10 173.50 1ywx n LYS 90 N 8.69 0.18 0.00 0.43 5.02 -1.26 -4.94 118.16 126.28 1ywx n LYS 90 Ca 0.22 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1ywx n LYS 90 Cb 0.49 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.53 0.00 0.00 -0.18 5.41 -1.26 -5.09 119.36 116.71 1ywx n ILE 91 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1ywx n ILE 91 Cb 0.47 -0.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 1ywx n ILE 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ywx n GLU 92 N -0.77 0.00 -4.04 0.38 4.07 -1.26 -5.16 120.64 113.86 1ywx n GLU 92 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 1ywx n GLU 92 Cb 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.36 1ywx n GLU 92 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1ywx s GLU 93 N 0.05 2.24 0.00 5.31 -1.05 -1.26 -5.15 118.70 118.85 1ywx s GLU 93 Ca 0.00 -2.10 0.00 0.00 -0.15 0.00 0.00 54.97 52.72 1ywx s GLU 93 Cb 0.00 -2.00 0.00 0.00 -0.44 0.00 0.00 34.13 31.69 1ywx s GLU 93 CO 0.00 -0.59 0.00 -0.85 0.95 0.00 0.00 175.26 174.77 1ywx n GLU 94 N -1.69 1.06 0.00 -4.83 0.28 -1.26 -5.10 120.64 109.10 1ywx n GLU 94 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1ywx n GLU 94 Cb 0.65 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.52 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 -0.31 -1.84 0.00 -1.26 -5.06 120.51 109.04 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 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.33 -3.63 0.00 1.02 -1.26 -4.83 120.64 111.62 1ywx n GLU 96 Ca 0.00 1.34 -0.02 0.00 -0.02 0.00 0.00 57.16 58.46 1ywx n GLU 96 Cb 0.00 -1.97 -0.01 0.00 -0.02 0.00 0.00 31.44 29.43 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 -5.13 -2.01 0.19 0.62 0.00 -1.26 -5.09 121.76 109.08 1ywx s ALA 97 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.70 1ywx s ALA 97 Cb 0.08 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1ywx s ALA 97 CO 0.46 -0.89 0.00 -1.91 0.00 0.00 0.00 175.76 173.42 1ywx n GLU 98 N -0.36 0.00 -2.79 0.00 2.13 -1.26 -5.12 120.64 113.25 1ywx n GLU 98 Ca -0.06 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.75 1ywx n GLU 98 Cb 0.61 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.31 1ywx n GLU 98 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ywx n VAL 99 N -2.95 -3.69 -0.00 6.31 0.24 -1.26 -4.98 118.33 112.00 1ywx n VAL 99 Ca 0.00 0.68 -0.00 0.00 -2.04 0.00 0.00 64.34 62.98 1ywx n VAL 99 Cb 0.00 -3.28 -0.00 0.00 -1.47 0.00 0.00 33.84 29.09 1ywx n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ywx n ALA 100 N 2.27 0.02 -3.66 2.33 0.00 -1.26 -5.11 120.51 115.11 1ywx n ALA 100 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1ywx n ALA 100 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.05 0.58 0.00 0.00 2.12 -1.26 -5.37 118.70 113.72 1ywx s GLU 101 Ca -0.01 -0.32 0.29 0.00 0.36 0.00 0.00 54.97 55.29 1ywx s GLU 101 Cb 0.00 0.20 1.19 0.00 0.26 0.00 0.00 34.13 35.78 1ywx s GLU 101 CO 0.01 -0.27 1.83 -0.85 -0.54 0.00 0.00 175.26 175.44