#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 4.08 0.00 7.83 2.15 -1.08 -5.02 116.67 124.63 1ywx s ASP 2 Ca 0.00 -0.26 0.02 0.00 0.43 0.00 0.00 52.55 52.74 1ywx s ASP 2 Cb 0.00 -1.36 -0.01 0.00 -0.30 0.00 0.00 42.92 41.25 1ywx s ASP 2 CO 0.00 0.23 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.52 1ywx s ILE 3 N -0.04 0.62 -0.07 4.11 1.01 -1.26 0.34 121.20 125.91 1ywx s ILE 3 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1ywx s ILE 3 Cb -0.14 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 41.80 1ywx s ILE 3 CO 0.04 0.09 -0.08 -0.55 0.00 0.00 0.00 174.94 174.43 1ywx s SER 4 N -0.41 1.57 0.30 3.58 0.15 0.61 -4.95 113.70 114.54 1ywx s SER 4 Ca 0.01 -0.23 -0.29 0.00 0.70 0.00 0.00 55.95 56.14 1ywx s SER 4 Cb -0.04 -0.69 -0.09 0.00 -1.71 0.00 0.00 66.02 63.49 1ywx s SER 4 CO -0.00 -0.03 1.10 -0.63 1.20 0.00 0.00 173.24 174.88 1ywx s ILE 5 N 0.97 3.50 -0.15 6.45 -1.09 -1.26 0.12 121.20 129.74 1ywx s ILE 5 Ca -0.09 1.46 -0.13 0.00 -2.23 0.00 0.00 60.65 59.65 1ywx s ILE 5 Cb -0.15 -3.90 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1ywx s ILE 5 CO 0.00 0.31 -0.27 -0.38 -1.23 0.00 0.00 174.94 173.37 1ywx n ILE 6 N 1.00 1.36 -4.03 2.92 2.08 0.30 -4.87 119.36 118.12 1ywx n ILE 6 Ca -0.00 0.05 -0.07 0.00 0.56 0.00 0.00 62.75 63.28 1ywx n ILE 6 Cb 0.45 -2.06 -0.09 0.00 -0.75 0.00 0.00 39.64 37.20 1ywx n ILE 6 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1ywx s SER 7 N -6.24 0.39 -0.37 4.38 0.01 -0.92 -5.00 113.70 105.94 1ywx s SER 7 Ca -0.25 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1ywx s SER 7 Cb 0.06 0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.65 1ywx s SER 7 CO 0.34 -0.64 0.19 1.51 0.41 0.00 0.00 173.24 175.06 1ywx s ASP 8 N -2.91 3.48 0.17 2.44 1.47 -1.26 -1.95 116.67 118.11 1ywx s ASP 8 Ca 0.07 -2.20 -0.00 0.00 1.18 0.00 0.00 52.55 51.60 1ywx s ASP 8 Cb 0.07 -0.74 -0.04 0.00 -0.34 0.00 0.00 42.92 41.87 1ywx s ASP 8 CO -0.10 -0.32 0.35 -0.13 0.68 0.00 0.00 175.17 175.64 1ywx s ARG 9 N 0.96 3.50 -0.10 2.11 1.81 -0.44 -5.02 118.95 121.77 1ywx s ARG 9 Ca 0.16 -0.39 -0.00 0.00 -1.72 0.00 0.00 55.73 53.78 1ywx s ARG 9 Cb -0.22 -2.89 0.02 0.00 -0.45 0.00 0.00 34.95 31.41 1ywx s ARG 9 CO -0.07 0.45 -0.08 1.21 -0.68 0.00 0.00 175.30 176.14 1ywx s ASN 10 N -3.05 2.06 -0.46 0.23 2.47 -1.26 -3.02 114.94 111.90 1ywx s ASN 10 Ca 0.37 -0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.40 1ywx s ASN 10 Cb -0.11 -0.81 0.13 0.00 -1.45 0.00 0.00 41.25 39.00 1ywx s ASN 10 CO 0.28 -0.10 0.21 0.54 -3.72 0.00 0.00 177.10 174.32 1ywx s ASN 11 N 1.54 4.20 0.19 -4.21 2.20 -1.00 -4.93 114.94 112.93 1ywx s ASN 11 Ca 0.02 -2.72 0.04 0.00 -0.94 0.00 0.00 52.86 49.26 1ywx s ASN 11 Cb -0.13 -1.44 0.08 0.00 -2.00 0.00 0.00 41.25 37.76 1ywx s ASN 11 CO -0.06 -0.27 1.44 1.55 -2.94 0.00 0.00 177.10 176.82 1ywx h PRO 12 N 6.80 0.16 -0.92 3.55 0.13 -1.93 0.09 132.00 139.87 1ywx h PRO 12 Ca -0.06 -0.15 0.08 0.00 -0.87 0.00 0.00 66.00 65.00 1ywx h PRO 12 Cb 0.93 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 1ywx h PRO 12 CO 0.60 0.87 -0.55 -0.07 -0.23 0.00 0.00 178.00 178.62 1ywx h LEU 13 N 0.10 -2.01 -0.09 1.56 4.07 -1.91 0.92 115.31 117.94 1ywx h LEU 13 Ca -0.03 0.31 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1ywx h LEU 13 Cb 1.39 0.89 0.00 0.00 1.08 0.00 0.00 40.66 44.02 1ywx h LEU 13 CO 0.12 -0.21 0.00 -0.07 -1.08 0.00 0.00 178.44 177.19 1ywx h LEU 14 N -0.00 0.00 0.00 1.67 3.38 -2.01 -3.47 115.31 114.88 1ywx h LEU 14 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ywx h LEU 14 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ywx h LEU 14 CO -0.87 0.00 0.00 1.67 0.09 0.00 0.00 178.44 179.33 1ywx n GLN 15 N -3.05 0.00 -4.56 1.13 7.27 0.32 -4.97 117.38 113.52 1ywx n GLN 15 Ca 0.04 0.10 -0.26 0.00 0.07 0.00 0.00 57.00 56.95 1ywx n GLN 15 Cb 0.51 -2.97 -0.11 0.00 2.41 0.00 0.00 30.24 30.08 1ywx n GLN 15 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ywx s ARG 16 N -3.03 1.86 -0.12 3.69 1.81 -0.02 -3.80 118.95 119.33 1ywx s ARG 16 Ca 0.00 -2.05 0.01 0.00 -1.72 0.00 0.00 55.73 51.97 1ywx s ARG 16 Cb 0.00 -1.38 0.02 0.00 -0.45 0.00 0.00 34.95 33.13 1ywx s ARG 16 CO 0.00 -0.10 -0.14 0.50 -0.68 0.00 0.00 175.30 174.88 1ywx s ARG 17 N -3.77 2.21 -0.38 3.54 3.52 0.00 -2.37 118.95 121.71 1ywx s ARG 17 Ca 0.36 -0.54 -0.08 0.00 -0.13 0.00 0.00 55.73 55.33 1ywx s ARG 17 Cb 0.10 -1.96 0.05 0.00 -1.56 0.00 0.00 34.95 31.58 1ywx s ARG 17 CO 0.17 -0.14 0.18 -1.21 -0.81 0.00 0.00 175.30 173.49 1ywx s GLU 18 N 1.23 2.62 -0.07 5.12 2.02 -1.17 -1.11 118.70 127.34 1ywx s GLU 18 Ca -0.01 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 53.72 1ywx s GLU 18 Cb -0.14 -3.62 0.01 0.00 0.10 0.00 0.00 34.13 30.47 1ywx s GLU 18 CO -0.06 -0.79 -0.17 0.42 0.02 0.00 0.00 175.26 174.68 1ywx s ILE 19 N 1.43 1.52 -0.01 -1.63 1.01 -0.22 -1.32 121.20 121.98 1ywx s ILE 19 Ca 0.01 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1ywx s ILE 19 Cb -0.21 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1ywx s ILE 19 CO 0.03 0.44 0.09 -0.75 0.00 0.00 0.00 174.94 174.75 1ywx s LYS 20 N 0.43 3.09 0.39 2.79 2.36 -0.82 0.31 119.74 128.29 1ywx s LYS 20 Ca -0.14 -0.47 -0.10 0.00 -2.55 0.00 0.00 55.97 52.71 1ywx s LYS 20 Cb -0.16 -2.88 0.04 0.00 -1.05 0.00 0.00 37.83 33.79 1ywx s LYS 20 CO 0.05 0.65 0.69 1.97 1.55 0.00 0.00 175.35 180.26 1ywx n PHE 21 N 1.19 -2.06 -4.24 4.03 -1.74 -0.94 -0.54 117.46 113.16 1ywx n PHE 21 Ca -0.13 -2.08 -0.14 0.00 -0.56 0.00 0.00 57.45 54.54 1ywx n PHE 21 Cb 0.53 0.80 -0.10 0.00 1.52 0.00 0.00 39.48 42.23 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 -2.36 1.14 -0.04 1.97 2.01 0.32 -2.48 115.64 116.19 1ywx s THR 22 Ca 0.21 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 60.20 1ywx s THR 22 Cb -0.04 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.69 1ywx s THR 22 CO 0.16 -0.74 -0.04 0.54 -0.69 0.00 0.00 174.62 173.85 1ywx s VAL 23 N -3.27 0.48 -0.08 3.82 0.11 0.48 -0.28 120.40 121.65 1ywx s VAL 23 Ca 0.16 -0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1ywx s VAL 23 Cb 0.02 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 1ywx s VAL 23 CO 0.00 0.21 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.25 1ywx s SER 24 N 0.82 3.66 -0.21 3.54 0.15 0.15 0.95 113.70 122.77 1ywx s SER 24 Ca -0.11 -0.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.89 1ywx s SER 24 Cb -0.14 -1.15 0.14 0.00 -1.71 0.00 0.00 66.02 63.17 1ywx s SER 24 CO 0.00 0.24 1.10 0.72 1.20 0.00 0.00 173.24 176.50 1ywx s PHE 25 N -0.10 -0.29 -0.50 3.44 -0.12 -0.74 -2.63 117.98 117.05 1ywx s PHE 25 Ca -0.03 0.53 0.03 0.00 -0.05 0.00 0.00 56.93 57.41 1ywx s PHE 25 Cb -0.14 0.45 0.13 0.00 -0.63 0.00 0.00 43.02 42.84 1ywx s PHE 25 CO 0.04 -0.25 0.26 0.16 -0.05 0.00 0.00 175.22 175.38 1ywx s ASP 26 N -0.91 4.08 0.00 1.98 1.47 -1.26 -4.43 116.67 117.60 1ywx s ASP 26 Ca 0.02 -2.90 0.00 0.00 1.18 0.00 0.00 52.55 50.84 1ywx s ASP 26 Cb -0.01 -1.42 0.00 0.00 -0.34 0.00 0.00 42.92 41.15 1ywx s ASP 26 CO -0.02 -0.24 0.00 0.00 0.68 0.00 0.00 175.17 175.59 1ywx n ALA 27 N 3.22 0.00 -3.55 2.11 0.00 -1.26 -5.15 120.51 115.88 1ywx n ALA 27 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1ywx n ALA 27 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.92 0.17 0.00 0.00 -1.26 -5.15 121.76 112.59 1ywx s ALA 28 Ca 0.00 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 1ywx s ALA 28 Cb 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 23.12 22.90 1ywx s ALA 28 CO 0.00 -0.53 0.88 -0.08 0.00 0.00 0.00 175.76 176.03 1ywx s THR 29 N -2.24 4.30 0.00 0.00 -1.32 -1.26 -5.03 115.64 110.09 1ywx s THR 29 Ca 0.04 1.92 0.00 0.00 -1.21 0.00 0.00 61.69 62.44 1ywx s THR 29 Cb -0.01 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.73 1ywx s THR 29 CO -0.05 0.46 0.00 -0.81 -2.21 0.00 0.00 174.62 172.01 1ywx n PRO 30 N 1.89 0.00 -3.88 7.08 -0.04 -1.26 -4.81 135.00 133.97 1ywx n PRO 30 Ca -0.02 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.42 1ywx n PRO 30 Cb 0.48 -0.13 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 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 -0.01 -0.01 3.54 0.01 -1.26 -4.97 113.70 109.74 1ywx s SER 31 Ca 0.00 -0.51 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 1ywx s SER 31 Cb 0.00 0.39 -0.14 0.00 0.21 0.00 0.00 66.02 66.48 1ywx s SER 31 CO 0.00 -0.78 1.01 0.40 0.41 0.00 0.00 173.24 174.28 1ywx h ILE 32 N 2.00 0.37 -0.73 1.44 2.04 -1.98 0.77 117.51 121.42 1ywx h ILE 32 Ca -0.26 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.10 1ywx h ILE 32 Cb 1.21 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1ywx h ILE 32 CO 0.34 0.07 0.48 0.50 0.00 0.00 0.00 178.15 179.54 1ywx h LYS 33 N -1.00 0.63 0.00 2.37 3.11 -1.97 1.56 116.57 121.28 1ywx h LYS 33 Ca -0.06 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 57.59 1ywx h LYS 33 Cb 0.55 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.62 1ywx h LYS 33 CO 0.10 0.42 -0.71 -0.44 -2.81 0.00 0.00 179.45 176.00 1ywx h ASP 34 N 0.65 0.00 0.53 4.20 3.45 -1.92 -2.61 116.42 120.71 1ywx h ASP 34 Ca 0.34 0.00 -0.27 0.00 0.43 0.00 0.00 57.03 57.52 1ywx h ASP 34 Cb 0.44 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1ywx h ASP 34 CO -0.12 0.71 -1.21 0.58 -1.57 0.00 0.00 179.24 177.63 1ywx h VAL 35 N 0.00 1.45 0.00 -1.35 2.07 0.42 -3.12 116.25 115.72 1ywx h VAL 35 Ca -0.01 -2.89 -0.03 0.00 0.82 0.00 0.00 66.70 64.59 1ywx h VAL 35 Cb 1.35 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.97 1ywx h VAL 35 CO 0.09 0.85 -0.15 0.07 0.02 0.00 0.00 177.57 178.45 1ywx h LYS 36 N 0.12 0.00 0.51 1.57 2.10 0.21 -1.32 116.57 119.76 1ywx h LYS 36 Ca -0.14 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1ywx h LYS 36 Cb 1.92 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.24 1ywx h LYS 36 CO 0.20 0.15 -0.36 0.52 -2.00 0.00 0.00 179.45 177.97 1ywx h MET 37 N 0.00 -0.80 -0.35 0.07 2.86 -1.40 1.59 114.93 116.90 1ywx h MET 37 Ca -0.00 0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1ywx h MET 37 Cb 0.48 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1ywx h MET 37 CO 0.02 -0.53 -0.24 1.57 1.06 0.00 0.00 176.91 178.79 1ywx h LYS 38 N -0.83 0.69 -0.09 1.72 -0.00 -1.66 -2.28 116.57 114.13 1ywx h LYS 38 Ca -0.07 -0.28 -0.05 0.00 -0.00 0.00 0.00 60.65 60.26 1ywx h LYS 38 Cb 0.67 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 32.86 1ywx h LYS 38 CO 0.04 0.87 -0.15 -0.07 -0.00 0.00 0.00 179.45 180.14 1ywx h LEU 39 N 0.61 0.14 -0.43 7.07 3.38 -1.08 0.56 115.31 125.55 1ywx h LEU 39 Ca 0.08 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ywx h LEU 39 Cb 0.73 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ywx h LEU 39 CO 0.06 0.30 0.28 0.58 0.09 0.00 0.00 178.44 179.75 1ywx h VAL 40 N 0.14 1.10 -0.07 1.22 2.07 0.29 1.43 116.25 122.44 1ywx h VAL 40 Ca 0.03 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 1ywx h VAL 40 Cb 0.36 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ywx h VAL 40 CO 0.02 0.10 -0.69 0.00 0.02 0.00 0.00 177.57 177.03 1ywx h ALA 41 N 1.16 0.70 0.16 1.67 0.00 -1.32 1.41 119.26 123.05 1ywx h ALA 41 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1ywx h ALA 41 Cb -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ywx h ALA 41 CO -0.04 0.77 -0.08 0.28 0.00 0.00 0.00 179.25 180.18 1ywx h VAL 42 N 0.21 0.96 -0.08 0.00 2.07 -0.16 -3.20 116.25 116.05 1ywx h VAL 42 Ca -0.02 -0.75 -0.19 0.00 0.82 0.00 0.00 66.70 66.56 1ywx h VAL 42 Cb 1.24 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1ywx h VAL 42 CO 0.11 0.17 -0.76 -0.07 0.02 0.00 0.00 177.57 177.04 1ywx h LEU 43 N -0.60 0.57 -2.42 2.57 3.38 0.19 -3.49 115.31 115.52 1ywx h LEU 43 Ca -0.02 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1ywx h LEU 43 Cb 0.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ywx h LEU 43 CO 0.04 1.14 -0.10 -3.20 0.09 0.00 0.00 178.44 176.40 1ywx n ASN 44 N -3.85 -7.69 -1.73 -0.43 5.15 0.48 -5.03 115.26 102.16 1ywx n ASN 44 Ca -0.05 -0.05 -0.05 0.00 -0.60 0.00 0.00 54.58 53.83 1ywx n ASN 44 Cb 0.73 -5.16 -0.00 0.00 -0.53 0.00 0.00 39.78 34.81 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 -1.66 -0.36 -1.65 5.20 0.00 -1.21 -5.05 120.51 115.77 1ywx n ALA 45 Ca -0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.45 1ywx n ALA 45 Cb 0.50 0.45 -0.03 0.00 0.00 0.00 0.00 19.45 20.37 1ywx n ALA 45 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ywx n ASN 46 N -1.62 3.99 0.13 0.00 2.85 -1.26 -4.83 115.26 114.50 1ywx n ASN 46 Ca -0.01 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.27 1ywx n ASN 46 Cb 0.22 -1.52 0.03 0.00 1.24 0.00 0.00 39.78 39.76 1ywx n ASN 46 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1ywx h LYS 47 N 11.14 0.00 0.93 1.20 5.09 -1.95 -3.22 116.57 129.77 1ywx h LYS 47 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.21 1ywx h LYS 47 Cb 1.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 1ywx h LYS 47 CO 0.94 0.62 -0.49 1.96 -2.09 0.00 0.00 179.45 180.39 1ywx h GLN 48 N 0.00 -1.26 -2.14 0.07 4.20 -2.02 -3.02 115.11 110.94 1ywx h GLN 48 Ca -0.01 0.09 -0.70 0.00 0.06 0.00 0.00 58.65 58.09 1ywx h GLN 48 Cb 1.41 0.29 -0.22 0.00 0.30 0.00 0.00 27.48 29.26 1ywx h GLN 48 CO 0.08 -0.84 1.07 1.33 -0.67 0.00 0.00 178.83 179.80 1ywx n VAL 49 N -5.64 4.30 -4.19 -0.54 0.24 -1.25 -4.89 118.33 106.36 1ywx n VAL 49 Ca -0.16 -4.31 -0.18 0.00 -2.04 0.00 0.00 64.34 57.64 1ywx n VAL 49 Cb 0.53 -1.52 -0.15 0.00 -1.47 0.00 0.00 33.84 31.22 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 -3.35 1.67 0.37 1.34 0.20 -1.14 -1.79 118.68 115.98 1ywx s LEU 50 Ca 0.51 -0.12 -0.09 0.00 0.69 0.00 0.00 54.13 55.13 1ywx s LEU 50 Cb 0.34 -0.38 0.03 0.00 -0.43 0.00 0.00 46.19 45.75 1ywx s LEU 50 CO -0.26 0.01 0.64 -0.69 -0.29 0.00 0.00 176.35 175.76 1ywx s VAL 51 N 0.37 0.00 -0.00 1.68 1.01 -1.11 -4.96 120.40 117.38 1ywx s VAL 51 Ca -0.05 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.67 1ywx s VAL 51 Cb -0.08 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 1ywx s VAL 51 CO -0.00 0.00 -0.08 -0.69 0.00 0.00 0.00 175.10 174.33 1ywx s VAL 52 N -2.61 3.56 -0.08 2.92 1.01 -1.26 -2.63 120.40 121.31 1ywx s VAL 52 Ca 0.23 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1ywx s VAL 52 Cb -0.03 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.73 1ywx s VAL 52 CO 0.16 0.42 0.49 0.44 0.00 0.00 0.00 175.10 176.61 1ywx h ASP 53 N 4.65 -0.16 -4.67 3.32 3.45 -0.71 -3.45 116.42 118.85 1ywx h ASP 53 Ca -0.48 -0.22 0.20 0.00 0.43 0.00 0.00 57.03 56.95 1ywx h ASP 53 Cb 1.17 0.04 -0.16 0.00 -0.56 0.00 0.00 39.33 39.82 1ywx h ASP 53 CO 0.53 0.40 0.65 -0.89 -1.57 0.00 0.00 179.24 178.36 1ywx s THR 54 N -2.57 0.00 0.19 0.35 2.01 -0.99 -4.97 115.64 109.65 1ywx s THR 54 Ca -0.08 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 1ywx s THR 54 Cb -0.00 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1ywx s THR 54 CO 0.28 0.00 0.18 -0.22 -0.69 0.00 0.00 174.62 174.17 1ywx s LEU 55 N -2.46 1.14 -0.30 4.42 2.96 -1.26 0.89 118.68 124.07 1ywx s LEU 55 Ca 0.08 -1.22 -0.12 0.00 -0.22 0.00 0.00 54.13 52.65 1ywx s LEU 55 Cb -0.00 0.67 0.13 0.00 0.50 0.00 0.00 46.19 47.48 1ywx s LEU 55 CO -0.06 -0.87 0.74 -1.81 -1.32 0.00 0.00 176.35 173.04 1ywx s ASP 56 N -3.09 -0.97 -0.11 3.68 1.01 0.48 -4.89 116.67 112.78 1ywx s ASP 56 Ca 0.30 1.38 -0.24 0.00 0.71 0.00 0.00 52.55 54.70 1ywx s ASP 56 Cb 0.06 1.94 -0.03 0.00 1.01 0.00 0.00 42.92 45.90 1ywx s ASP 56 CO 0.08 -0.20 0.77 -1.58 0.21 0.00 0.00 175.17 174.45 1ywx s GLN 57 N 2.47 4.37 0.10 8.23 0.74 -1.26 1.00 119.66 135.31 1ywx s GLN 57 Ca -0.06 0.96 -0.31 0.00 0.05 0.00 0.00 55.36 55.99 1ywx s GLN 57 Cb -0.09 -3.51 -0.08 0.00 1.10 0.00 0.00 33.01 30.43 1ywx s GLN 57 CO -0.19 -0.13 1.44 0.42 -0.55 0.00 0.00 175.29 176.29 1ywx s ILE 58 N 1.44 3.25 0.10 -2.34 1.01 0.27 -4.90 121.20 120.04 1ywx s ILE 58 Ca 0.38 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.96 1ywx s ILE 58 Cb -0.17 -3.55 -0.21 0.00 0.01 0.00 0.00 42.46 38.54 1ywx s ILE 58 CO 0.16 0.05 1.23 0.15 0.00 0.00 0.00 174.94 176.53 1ywx h PHE 59 N 7.10 0.00 0.10 3.97 3.57 -1.95 -3.34 116.94 126.38 1ywx h PHE 59 Ca -0.42 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.11 1ywx h PHE 59 Cb 1.20 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.90 1ywx h PHE 59 CO 0.68 0.99 -0.33 0.78 -2.23 0.00 0.00 178.31 178.21 1ywx h GLY 60 N 3.05 -0.61 0.00 2.40 0.00 -1.95 -3.46 103.07 102.49 1ywx h GLY 60 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1ywx h GLY 60 CO 0.13 -0.25 0.00 0.58 0.00 0.00 0.00 176.54 177.00 1ywx n LYS 61 N -5.42 3.01 -1.89 4.80 2.85 -1.25 -5.04 118.16 115.22 1ywx n LYS 61 Ca -0.06 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 1ywx n LYS 61 Cb 0.33 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.75 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 5.83 -4.93 -5.58 4.77 -1.26 -4.75 117.00 111.08 1ywx n LEU 62 Ca 0.00 -4.70 -0.21 0.00 -0.03 0.00 0.00 56.01 51.07 1ywx n LEU 62 Cb 0.00 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1ywx n LEU 62 CO 0.00 1.93 0.10 -0.70 -1.33 0.00 0.00 177.39 177.39 1ywx s GLU 63 N -3.69 2.48 -0.27 3.23 -6.30 -1.26 -1.79 118.70 111.11 1ywx s GLU 63 Ca 0.54 -1.61 -0.21 0.00 -2.50 0.00 0.00 54.97 51.19 1ywx s GLU 63 Cb 0.44 -2.43 0.07 0.00 0.00 0.00 0.00 34.13 32.21 1ywx s GLU 63 CO -0.04 -0.42 0.69 0.00 0.02 0.00 0.00 175.26 175.51 1ywx s ALA 64 N -2.55 -1.76 -0.01 6.30 0.00 0.27 0.97 121.76 124.98 1ywx s ALA 64 Ca 0.49 2.10 0.06 0.00 0.00 0.00 0.00 51.96 54.61 1ywx s ALA 64 Cb -0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1ywx s ALA 64 CO 0.29 -0.34 -0.20 -2.00 0.00 0.00 0.00 175.76 173.51 1ywx s GLU 65 N 0.77 1.59 0.18 0.00 2.12 0.28 0.18 118.70 123.82 1ywx s GLU 65 Ca -0.03 -0.76 -0.23 0.00 0.36 0.00 0.00 54.97 54.31 1ywx s GLU 65 Cb -0.05 -1.56 0.06 0.00 0.26 0.00 0.00 34.13 32.84 1ywx s GLU 65 CO -0.06 0.42 0.72 0.20 -0.54 0.00 0.00 175.26 176.01 1ywx s GLY 66 N -0.59 -0.37 -0.12 -1.50 0.00 -1.04 0.18 107.32 103.89 1ywx s GLY 66 Ca 0.08 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 45.03 1ywx s GLY 66 CO -0.00 0.08 -0.09 -0.47 0.00 0.00 0.00 173.10 172.61 1ywx s TYR 67 N -3.67 2.88 -0.20 1.90 5.04 0.26 -2.21 117.35 121.36 1ywx s TYR 67 Ca 0.06 -0.37 -0.07 0.00 -2.44 0.00 0.00 57.07 54.26 1ywx s TYR 67 Cb -0.03 -1.83 -0.04 0.00 0.35 0.00 0.00 41.96 40.42 1ywx s TYR 67 CO -0.04 -0.02 0.05 0.00 -1.34 0.00 0.00 175.55 174.21 1ywx s ALA 68 N 0.02 3.28 -0.03 3.97 0.00 0.15 0.00 121.76 129.16 1ywx s ALA 68 Ca -0.02 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1ywx s ALA 68 Cb -0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1ywx s ALA 68 CO 0.04 -0.03 -0.23 0.21 0.00 0.00 0.00 175.76 175.74 1ywx s LYS 69 N 0.76 2.29 -0.09 0.00 2.36 -1.08 -1.06 119.74 122.93 1ywx s LYS 69 Ca 0.03 -0.88 0.04 0.00 -2.55 0.00 0.00 55.97 52.61 1ywx s LYS 69 Cb -0.14 -2.14 -0.01 0.00 -1.05 0.00 0.00 37.83 34.50 1ywx s LYS 69 CO 0.02 0.53 -0.22 0.42 1.55 0.00 0.00 175.35 177.65 1ywx s ILE 70 N -0.53 2.30 0.58 5.43 1.01 -0.27 -2.73 121.20 126.99 1ywx s ILE 70 Ca 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 1ywx s ILE 70 Cb -0.11 -1.88 0.12 0.00 0.01 0.00 0.00 42.46 40.60 1ywx s ILE 70 CO 0.00 0.56 0.80 -1.22 0.00 0.00 0.00 174.94 175.08 1ywx n TYR 71 N 3.29 -3.17 0.00 3.97 4.01 -0.74 -0.82 117.16 123.70 1ywx n TYR 71 Ca -0.18 -1.28 0.00 0.00 -0.16 0.00 0.00 57.90 56.27 1ywx n TYR 71 Cb 0.53 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 1ywx n TYR 71 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ywx n ASN 72 N -3.03 0.39 -3.73 7.72 3.02 -1.25 -4.85 115.26 113.53 1ywx n ASN 72 Ca 0.13 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.54 1ywx n ASN 72 Cb 0.45 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.48 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 -4.47 0.02 0.37 6.41 -4.77 -1.26 -5.02 116.67 107.95 1ywx s ASP 73 Ca 0.00 0.35 0.15 0.00 -3.30 0.00 0.00 52.55 49.75 1ywx s ASP 73 Cb 0.00 0.25 0.73 0.00 -1.09 0.00 0.00 42.92 42.82 1ywx s ASP 73 CO 0.00 -0.17 1.81 -0.33 0.70 0.00 0.00 175.17 177.18 1ywx h GLU 74 N 7.46 0.00 -0.32 2.11 3.07 -1.98 -1.87 114.58 123.05 1ywx h GLU 74 Ca -0.37 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.55 1ywx h GLU 74 Cb 1.14 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.99 1ywx h GLU 74 CO 0.36 0.38 -0.04 0.87 -1.40 0.00 0.00 179.01 179.18 1ywx h LYS 75 N 0.00 0.04 0.11 2.33 6.56 -1.98 1.80 116.57 125.42 1ywx h LYS 75 Ca -0.00 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1ywx h LYS 75 Cb 0.72 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1ywx h LYS 75 CO 0.05 0.03 -0.05 0.00 -2.06 0.00 0.00 179.45 177.42 1ywx h ALA 76 N 1.30 -0.14 -0.62 3.86 0.00 -1.95 -3.24 119.26 118.47 1ywx h ALA 76 Ca 0.16 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1ywx h ALA 76 Cb 0.23 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1ywx h ALA 76 CO -0.30 -0.30 0.17 1.98 0.00 0.00 0.00 179.25 180.81 1ywx h MET 77 N -0.71 0.30 -1.19 0.00 1.85 -1.03 1.67 114.93 115.83 1ywx h MET 77 Ca -0.01 -0.02 0.34 0.00 -0.61 0.00 0.00 59.70 59.40 1ywx h MET 77 Cb 0.54 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 32.43 1ywx h MET 77 CO 0.02 0.20 0.82 0.00 -0.40 0.00 0.00 176.91 177.55 1ywx h ALA 78 N 1.48 2.81 0.00 0.39 0.00 0.27 0.88 119.26 125.09 1ywx h ALA 78 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ywx h ALA 78 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ywx h ALA 78 CO -0.38 -1.21 -0.46 2.41 0.00 0.00 0.00 179.25 179.60 1ywx n THR 79 N -4.38 0.71 0.00 0.00 -1.04 0.96 -4.72 114.28 105.80 1ywx n THR 79 Ca 0.28 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 1ywx n THR 79 Cb 1.18 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 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 -3.42 0.00 -0.60 12.58 5.41 0.53 -4.52 119.36 129.34 1ywx n ILE 80 Ca -0.06 1.46 -0.31 0.00 1.00 0.00 0.00 62.75 64.84 1ywx n ILE 80 Cb 0.24 -2.00 0.20 0.00 -0.71 0.00 0.00 39.64 37.37 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 -2.77 -1.72 -4.65 0.38 4.71 0.29 -5.02 120.64 111.86 1ywx n GLU 81 Ca 0.00 -0.47 -0.29 0.00 -0.01 0.00 0.00 57.16 56.39 1ywx n GLU 81 Cb 0.00 -1.98 -0.10 0.00 -1.01 0.00 0.00 31.44 28.34 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 -2.36 1.79 0.48 2.62 -4.23 -1.26 -4.78 115.64 107.89 1ywx s THR 82 Ca 0.63 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.45 1ywx s THR 82 Cb -0.20 -2.80 0.31 0.00 1.34 0.00 0.00 72.50 71.16 1ywx s THR 82 CO 0.65 0.00 1.95 0.07 -0.54 0.00 0.00 174.62 176.75 1ywx h LYS 83 N 1.68 0.00 -0.39 3.99 5.09 -1.96 0.24 116.57 125.23 1ywx h LYS 83 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.18 1ywx h LYS 83 Cb 1.26 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.58 1ywx h LYS 83 CO 0.79 0.00 -0.25 1.03 -2.09 0.00 0.00 179.45 178.93 1ywx h SER 84 N 0.00 0.89 0.17 7.07 0.87 -1.98 -0.07 113.55 120.49 1ywx h SER 84 Ca 0.00 -0.43 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 1ywx h SER 84 Cb 0.38 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1ywx h SER 84 CO 0.00 1.12 -0.08 0.58 -0.53 0.00 0.00 176.83 177.92 1ywx h VAL 85 N 0.66 0.00 -0.25 2.23 2.07 -0.94 -3.21 116.25 116.81 1ywx h VAL 85 Ca 0.08 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.95 1ywx h VAL 85 Cb 0.82 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1ywx h VAL 85 CO 0.07 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.10 1ywx h LEU 86 N -0.94 0.00 0.20 2.57 4.07 -1.44 0.81 115.31 120.57 1ywx h LEU 86 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1ywx h LEU 86 Cb 0.17 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1ywx h LEU 86 CO 0.04 0.00 -0.19 -0.33 -1.08 0.00 0.00 178.44 176.88 1ywx h GLU 87 N 0.00 -0.40 -0.62 1.13 4.39 -1.00 -1.26 114.58 116.83 1ywx h GLU 87 Ca 0.12 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.94 1ywx h GLU 87 Cb 1.15 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 1ywx h GLU 87 CO -0.00 -0.26 0.41 1.57 -1.16 0.00 0.00 179.01 179.57 1ywx h LYS 88 N -0.41 0.46 -1.06 2.33 2.10 -0.91 0.35 116.57 119.43 1ywx h LYS 88 Ca -0.00 -0.03 -0.36 0.00 -2.00 0.00 0.00 60.65 58.27 1ywx h LYS 88 Cb 0.38 -0.10 -0.20 0.00 -0.90 0.00 0.00 32.23 31.41 1ywx h LYS 88 CO -0.04 0.30 0.45 -1.71 -2.00 0.00 0.00 179.45 176.46 1ywx n ASN 89 N -4.48 4.03 -4.11 7.07 4.05 -0.56 -4.98 115.26 116.29 1ywx n ASN 89 Ca 0.10 -3.09 -0.36 0.00 0.45 0.00 0.00 54.58 51.68 1ywx n ASN 89 Cb 0.34 -0.77 0.07 0.00 1.23 0.00 0.00 39.78 40.65 1ywx n ASN 89 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1ywx n LYS 90 N -0.50 -0.27 0.00 1.20 4.81 0.12 -4.95 118.16 118.57 1ywx n LYS 90 Ca 0.39 -0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1ywx n LYS 90 Cb 1.16 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.97 1ywx n LYS 90 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1ywx n ILE 91 N -3.25 0.00 -3.56 3.15 5.41 -1.26 -5.04 119.36 114.81 1ywx n ILE 91 Ca -0.00 0.21 -0.11 0.00 1.00 0.00 0.00 62.75 63.85 1ywx n ILE 91 Cb 0.62 -0.97 -0.02 0.00 -0.71 0.00 0.00 39.64 38.56 1ywx n ILE 91 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1ywx s GLU 92 N 0.00 1.37 0.36 0.38 2.56 -1.26 -5.19 118.70 116.93 1ywx s GLU 92 Ca 0.00 -0.64 0.04 0.00 0.00 0.00 0.00 54.97 54.38 1ywx s GLU 92 Cb 0.00 0.57 -0.03 0.00 2.00 0.00 0.00 34.13 36.68 1ywx s GLU 92 CO 0.00 -0.60 0.17 -1.83 -0.56 0.00 0.00 175.26 172.44 1ywx s GLU 93 N -3.80 1.81 0.00 4.30 -1.05 -1.26 -5.17 118.70 113.52 1ywx s GLU 93 Ca 0.04 -2.07 0.00 0.00 -0.15 0.00 0.00 54.97 52.79 1ywx s GLU 93 Cb -0.02 -0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.41 1ywx s GLU 93 CO -0.08 -0.51 0.00 -0.85 0.95 0.00 0.00 175.26 174.77 1ywx n GLU 94 N -0.76 2.31 -2.43 -4.83 0.28 -1.26 -4.93 120.64 109.02 1ywx n GLU 94 Ca -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1ywx n GLU 94 Cb 0.64 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.51 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 -3.39 -0.31 -1.84 0.00 -1.26 -4.86 120.51 105.85 1ywx n ALA 95 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.78 1ywx n ALA 95 Cb 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 0.56 -0.33 -3.66 0.00 1.02 -1.26 -4.53 120.64 112.44 1ywx n GLU 96 Ca -0.01 1.32 -0.07 0.00 -0.02 0.00 0.00 57.16 58.38 1ywx n GLU 96 Cb 0.01 -1.95 -0.08 0.00 -0.02 0.00 0.00 31.44 29.40 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 -5.15 -1.47 0.00 0.62 0.00 -1.26 -5.01 121.76 109.48 1ywx s ALA 97 Ca -0.09 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1ywx s ALA 97 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1ywx s ALA 97 CO 0.46 -0.58 0.00 -1.91 0.00 0.00 0.00 175.76 173.74 1ywx n GLU 98 N 4.86 0.00 -1.46 0.00 2.13 -1.26 -5.14 120.64 119.78 1ywx n GLU 98 Ca -0.16 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.27 1ywx n GLU 98 Cb 0.53 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.27 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 -2.18 2.05 -2.67 6.31 0.24 -1.26 -4.96 118.33 115.86 1ywx n VAL 99 Ca 0.00 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.34 61.76 1ywx n VAL 99 Cb 0.00 -0.63 0.05 0.00 -1.47 0.00 0.00 33.84 31.78 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 -1.50 -3.77 -3.51 2.33 0.00 -1.26 -5.15 120.51 107.65 1ywx n ALA 100 Ca 0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 1ywx n ALA 100 Cb 0.46 -3.33 -0.03 0.00 0.00 0.00 0.00 19.45 16.55 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 0.68 1.56 0.00 0.00 2.12 -1.26 -5.03 118.70 116.76 1ywx s GLU 101 Ca 0.24 -0.94 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1ywx s GLU 101 Cb 0.16 0.55 0.00 0.00 0.26 0.00 0.00 34.13 35.10 1ywx s GLU 101 CO -0.10 -0.68 0.48 -0.85 -0.54 0.00 0.00 175.26 173.57