#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 2.36 -0.04 6.12 1.01 -1.08 -5.03 116.67 120.01 1ywx s ASP 2 Ca 0.00 -0.39 0.05 0.00 0.71 0.00 0.00 52.55 52.92 1ywx s ASP 2 Cb 0.00 -0.91 -0.02 0.00 1.01 0.00 0.00 42.92 43.00 1ywx s ASP 2 CO 0.00 -0.12 -0.19 -0.63 0.21 0.00 0.00 175.17 174.45 1ywx s ILE 3 N 1.66 2.70 -0.16 0.77 1.01 -1.26 -0.73 121.20 125.20 1ywx s ILE 3 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1ywx s ILE 3 Cb -0.13 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1ywx s ILE 3 CO -0.09 0.58 -0.16 -0.55 0.00 0.00 0.00 174.94 174.73 1ywx s SER 4 N -0.71 3.59 -0.07 3.58 0.15 0.85 -4.91 113.70 116.18 1ywx s SER 4 Ca 0.11 -0.49 -0.25 0.00 0.70 0.00 0.00 55.95 56.02 1ywx s SER 4 Cb -0.10 -1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 62.62 1ywx s SER 4 CO 0.00 0.08 0.75 -0.63 1.20 0.00 0.00 173.24 174.64 1ywx s ILE 5 N 0.84 5.01 -0.15 6.45 -1.09 -1.26 0.17 121.20 131.17 1ywx s ILE 5 Ca -0.05 1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 59.80 1ywx s ILE 5 Cb -0.15 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1ywx s ILE 5 CO -0.01 0.22 -0.24 -0.38 -1.23 0.00 0.00 174.94 173.30 1ywx n ILE 6 N 3.88 1.37 -4.13 2.92 2.08 0.43 -4.95 119.36 120.97 1ywx n ILE 6 Ca 0.00 0.20 -0.10 0.00 0.56 0.00 0.00 62.75 63.42 1ywx n ILE 6 Cb 0.51 -2.33 -0.10 0.00 -0.75 0.00 0.00 39.64 36.97 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 -5.70 0.92 -0.44 4.38 0.01 -0.88 -5.02 113.70 106.97 1ywx s SER 7 Ca -0.20 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.14 1ywx s SER 7 Cb 0.03 0.12 0.14 0.00 0.21 0.00 0.00 66.02 66.52 1ywx s SER 7 CO 0.29 -0.47 0.27 1.51 0.41 0.00 0.00 173.24 175.25 1ywx s ASP 8 N -2.81 3.30 0.26 2.44 -4.77 -1.26 -1.51 116.67 112.32 1ywx s ASP 8 Ca 0.07 -2.70 0.00 0.00 -3.30 0.00 0.00 52.55 46.63 1ywx s ASP 8 Cb 0.04 -0.87 -0.04 0.00 -1.09 0.00 0.00 42.92 40.96 1ywx s ASP 8 CO -0.05 -0.25 0.45 -0.13 0.70 0.00 0.00 175.17 175.89 1ywx s ARG 9 N 0.31 3.51 -0.02 2.11 0.52 0.38 -4.99 118.95 120.77 1ywx s ARG 9 Ca 0.20 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 1ywx s ARG 9 Cb -0.19 -2.77 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 1ywx s ARG 9 CO -0.04 0.31 -0.16 0.54 0.02 0.00 0.00 175.30 175.97 1ywx s ASN 10 N -3.58 1.90 -0.53 0.23 4.22 -1.26 -1.52 114.94 114.41 1ywx s ASN 10 Ca 0.39 -0.30 0.01 0.00 -2.14 0.00 0.00 52.86 50.82 1ywx s ASN 10 Cb -0.10 -0.35 0.14 0.00 1.28 0.00 0.00 41.25 42.22 1ywx s ASN 10 CO 0.31 0.17 0.30 0.20 -2.04 0.00 0.00 177.10 176.05 1ywx s ASN 11 N -0.18 4.77 0.01 3.54 0.02 0.35 -4.82 114.94 118.63 1ywx s ASN 11 Ca 0.02 -2.81 -0.19 0.00 -1.02 0.00 0.00 52.86 48.86 1ywx s ASN 11 Cb -0.08 -1.73 -0.22 0.00 0.02 0.00 0.00 41.25 39.24 1ywx s ASN 11 CO 0.00 -0.32 1.14 1.55 0.02 0.00 0.00 177.10 179.49 1ywx h PRO 12 N 6.90 0.43 -0.09 -0.60 0.13 -1.92 1.60 132.00 138.46 1ywx h PRO 12 Ca -0.05 -0.43 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1ywx h PRO 12 Cb 0.94 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1ywx h PRO 12 CO 0.68 1.08 -0.12 -0.07 -0.23 0.00 0.00 178.00 179.35 1ywx h LEU 13 N -0.05 -0.39 -0.52 1.56 4.07 -1.92 0.31 115.31 118.38 1ywx h LEU 13 Ca -0.06 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1ywx h LEU 13 Cb 1.25 0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1ywx h LEU 13 CO 0.11 -0.08 0.00 0.18 -1.08 0.00 0.00 178.44 177.57 1ywx n LEU 14 N -3.27 0.60 -0.69 1.67 4.77 -1.26 -4.86 117.00 113.98 1ywx n LEU 14 Ca -0.01 0.63 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 1ywx n LEU 14 Cb 0.07 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1ywx n LEU 14 CO -0.00 -0.46 -0.08 0.00 -1.33 0.00 0.00 177.39 175.52 1ywx n GLN 15 N -2.15 -0.53 -3.78 3.23 6.02 0.11 -4.95 117.38 115.33 1ywx n GLN 15 Ca 0.03 0.53 -0.25 0.00 -0.01 0.00 0.00 57.00 57.30 1ywx n GLN 15 Cb 0.25 -4.38 0.00 0.00 1.02 0.00 0.00 30.24 27.13 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 -3.54 2.26 -0.09 -1.09 1.81 0.53 -3.51 118.95 115.31 1ywx s ARG 16 Ca 0.00 -1.97 0.03 0.00 -1.72 0.00 0.00 55.73 52.07 1ywx s ARG 16 Cb 0.00 -2.17 0.01 0.00 -0.45 0.00 0.00 34.95 32.34 1ywx s ARG 16 CO 0.00 -0.65 -0.18 0.50 -0.68 0.00 0.00 175.30 174.28 1ywx s ARG 17 N -4.33 2.42 -0.40 3.54 3.52 0.25 -0.49 118.95 123.46 1ywx s ARG 17 Ca 0.38 -0.66 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1ywx s ARG 17 Cb -0.03 -1.90 0.10 0.00 -1.56 0.00 0.00 34.95 31.56 1ywx s ARG 17 CO 0.23 0.09 0.19 -1.21 -0.81 0.00 0.00 175.30 173.79 1ywx s GLU 18 N 0.54 2.18 -0.05 5.12 2.02 -0.57 -2.80 118.70 125.14 1ywx s GLU 18 Ca -0.16 -1.67 0.04 0.00 0.02 0.00 0.00 54.97 53.20 1ywx s GLU 18 Cb -0.17 -3.57 -0.00 0.00 0.10 0.00 0.00 34.13 30.49 1ywx s GLU 18 CO 0.06 -0.99 -0.18 0.42 0.02 0.00 0.00 175.26 174.59 1ywx s ILE 19 N 1.21 1.52 -0.06 -1.63 1.01 -1.10 0.15 121.20 122.29 1ywx s ILE 19 Ca 0.05 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.00 1ywx s ILE 19 Cb -0.22 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1ywx s ILE 19 CO -0.03 0.44 -0.25 -0.75 0.00 0.00 0.00 174.94 174.35 1ywx s LYS 20 N 0.07 2.56 0.39 2.79 2.47 -0.57 -1.18 119.74 126.28 1ywx s LYS 20 Ca -0.05 -0.90 -0.15 0.00 -1.56 0.00 0.00 55.97 53.31 1ywx s LYS 20 Cb -0.12 -2.17 0.06 0.00 -1.46 0.00 0.00 37.83 34.13 1ywx s LYS 20 CO 0.03 0.38 0.79 -0.59 0.16 0.00 0.00 175.35 176.12 1ywx s PHE 21 N -0.17 0.16 0.18 4.03 -0.71 -1.18 -0.43 117.98 119.88 1ywx s PHE 21 Ca -0.03 -0.85 0.09 0.00 -1.04 0.00 0.00 56.93 55.09 1ywx s PHE 21 Cb -0.14 0.83 -0.04 0.00 -1.21 0.00 0.00 43.02 42.46 1ywx s PHE 21 CO 0.04 -1.59 -0.18 0.99 -1.34 0.00 0.00 175.22 173.14 1ywx s THR 22 N -2.20 1.87 -0.05 -4.49 2.01 0.45 -2.30 115.64 110.93 1ywx s THR 22 Ca 0.16 -2.01 0.01 0.00 0.31 0.00 0.00 61.69 60.16 1ywx s THR 22 Cb -0.05 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1ywx s THR 22 CO 0.12 -0.37 -0.07 0.54 -0.69 0.00 0.00 174.62 174.15 1ywx s VAL 23 N -2.24 0.78 -0.00 3.82 0.11 0.52 -0.11 120.40 123.27 1ywx s VAL 23 Ca 0.18 -0.26 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 1ywx s VAL 23 Cb -0.05 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1ywx s VAL 23 CO 0.07 0.28 -0.22 -0.55 -3.33 0.00 0.00 175.10 171.36 1ywx s SER 24 N 0.84 2.54 0.34 3.54 0.15 0.09 0.29 113.70 121.49 1ywx s SER 24 Ca -0.12 -0.42 0.07 0.00 0.70 0.00 0.00 55.95 56.18 1ywx s SER 24 Cb -0.15 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1ywx s SER 24 CO 0.01 0.25 0.32 0.72 1.20 0.00 0.00 173.24 175.74 1ywx s PHE 25 N -0.56 1.70 -1.12 3.44 -0.12 -1.19 -2.65 117.98 117.49 1ywx s PHE 25 Ca 0.08 -1.64 -0.09 0.00 -0.05 0.00 0.00 56.93 55.24 1ywx s PHE 25 Cb -0.08 -0.64 0.28 0.00 -0.63 0.00 0.00 43.02 41.95 1ywx s PHE 25 CO -0.00 -0.93 1.16 -0.25 -0.05 0.00 0.00 175.22 175.15 1ywx n ASP 26 N -1.62 5.60 -1.57 1.98 9.92 -1.26 -4.84 116.55 124.76 1ywx n ASP 26 Ca 0.07 -3.07 0.06 0.00 -0.53 0.00 0.00 54.79 51.32 1ywx n ASP 26 Cb 0.62 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.69 1ywx n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ywx n ALA 27 N 2.63 -2.61 -1.79 2.24 0.00 -1.26 -5.00 120.51 114.72 1ywx n ALA 27 Ca 0.25 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1ywx n ALA 27 Cb 0.39 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1ywx n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ywx n ALA 28 N -3.22 -2.10 -2.59 0.00 0.00 -1.26 -4.96 120.51 106.39 1ywx n ALA 28 Ca -0.03 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 1ywx n ALA 28 Cb 0.56 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1ywx n ALA 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ywx s THR 29 N -1.76 5.10 0.00 0.00 -1.32 -1.26 -4.93 115.64 111.47 1ywx s THR 29 Ca 0.00 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1ywx s THR 29 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.35 1ywx s THR 29 CO 0.00 0.18 0.00 -0.81 -2.21 0.00 0.00 174.62 171.78 1ywx n PRO 30 N 0.55 0.00 -3.11 7.08 -0.04 -1.26 -5.11 135.00 133.12 1ywx n PRO 30 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ywx n PRO 30 Cb 0.52 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.00 0.00 0.13 3.54 7.64 -1.26 -4.95 113.62 118.72 1ywx n SER 31 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1ywx n SER 31 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 0.37 -0.14 0.44 2.04 -1.97 0.62 117.51 118.87 1ywx h ILE 32 Ca 0.00 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.10 1ywx h ILE 32 Cb 0.00 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ywx h ILE 32 CO 0.00 0.09 0.10 0.11 0.00 0.00 0.00 178.15 178.45 1ywx h LYS 33 N -1.01 0.00 0.00 2.37 6.56 -1.97 1.33 116.57 123.85 1ywx h LYS 33 Ca -0.04 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.33 1ywx h LYS 33 Cb 0.47 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.09 1ywx h LYS 33 CO 0.07 0.00 -1.08 -0.44 -2.06 0.00 0.00 179.45 175.94 1ywx h ASP 34 N 0.00 0.00 0.27 0.86 3.45 -1.92 -2.50 116.42 116.59 1ywx h ASP 34 Ca 0.07 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.22 1ywx h ASP 34 Cb 0.27 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.07 1ywx h ASP 34 CO -0.00 0.98 -1.30 0.58 -1.57 0.00 0.00 179.24 177.94 1ywx h VAL 35 N 0.00 1.33 0.00 -1.35 2.07 0.33 -3.13 116.25 115.49 1ywx h VAL 35 Ca -0.05 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.82 1ywx h VAL 35 Cb 1.79 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 34.38 1ywx h VAL 35 CO 0.12 0.79 -0.08 0.07 0.02 0.00 0.00 177.57 178.50 1ywx h LYS 36 N 0.20 0.00 0.51 1.57 5.09 0.15 -2.22 116.57 121.88 1ywx h LYS 36 Ca -0.19 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.52 1ywx h LYS 36 Cb 1.98 0.00 0.01 0.00 0.10 0.00 0.00 32.23 34.32 1ywx h LYS 36 CO 0.24 0.08 -0.25 0.52 -2.09 0.00 0.00 179.45 177.95 1ywx h MET 37 N 0.00 -0.67 -0.16 0.07 2.86 -1.39 -1.12 114.93 114.53 1ywx h MET 37 Ca -0.00 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1ywx h MET 37 Cb 0.58 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1ywx h MET 37 CO 0.01 -0.44 -0.04 1.57 1.06 0.00 0.00 176.91 179.07 1ywx h LYS 38 N -0.74 0.23 -0.08 1.72 -0.00 -1.61 -0.49 116.57 115.61 1ywx h LYS 38 Ca -0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 60.65 60.55 1ywx h LYS 38 Cb 0.53 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 32.71 1ywx h LYS 38 CO 0.12 0.29 0.06 -0.07 -0.00 0.00 0.00 179.45 179.84 1ywx h LEU 39 N 0.23 0.08 -1.26 7.07 3.38 -1.27 -0.25 115.31 123.28 1ywx h LEU 39 Ca 0.05 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1ywx h LEU 39 Cb 0.22 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1ywx h LEU 39 CO 0.01 0.05 0.57 0.58 0.09 0.00 0.00 178.44 179.74 1ywx h VAL 40 N 0.09 0.88 -0.01 1.22 2.07 0.25 1.66 116.25 122.41 1ywx h VAL 40 Ca 0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1ywx h VAL 40 Cb 0.02 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1ywx h VAL 40 CO -0.01 0.14 -0.15 0.00 0.02 0.00 0.00 177.57 177.57 1ywx h ALA 41 N 1.59 0.04 0.11 1.67 0.00 -1.16 1.54 119.26 123.05 1ywx h ALA 41 Ca 0.43 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ywx h ALA 41 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ywx h ALA 41 CO -0.19 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.25 1ywx h VAL 42 N -0.53 0.79 -0.20 0.00 2.07 -0.83 -2.73 116.25 114.83 1ywx h VAL 42 Ca -0.02 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1ywx h VAL 42 Cb 0.87 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1ywx h VAL 42 CO 0.03 0.00 -0.65 -0.07 0.02 0.00 0.00 177.57 176.90 1ywx h LEU 43 N -0.22 0.84 -2.19 2.57 3.38 0.23 -3.48 115.31 116.44 1ywx h LEU 43 Ca -0.00 -0.49 -0.18 0.00 0.09 0.00 0.00 57.88 57.29 1ywx h LEU 43 Cb 0.20 -0.24 0.12 0.00 0.09 0.00 0.00 40.66 40.82 1ywx h LEU 43 CO -0.01 1.27 -0.51 -3.20 0.09 0.00 0.00 178.44 176.07 1ywx n ASN 44 N -3.95 -3.42 -1.40 -0.43 5.15 0.52 -5.04 115.26 106.69 1ywx n ASN 44 Ca -0.05 -0.42 -0.01 0.00 -0.60 0.00 0.00 54.58 53.50 1ywx n ASN 44 Cb 0.67 -3.46 -0.00 0.00 -0.53 0.00 0.00 39.78 36.46 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 -2.80 0.02 -2.00 5.20 0.00 -1.02 -5.03 120.51 114.88 1ywx n ALA 45 Ca -0.12 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 1ywx n ALA 45 Cb 0.59 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 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 -1.08 6.95 0.59 0.00 3.84 -1.26 -4.88 114.94 119.10 1ywx s ASN 46 Ca 0.01 2.37 0.39 0.00 0.21 0.00 0.00 52.86 55.83 1ywx s ASN 46 Cb 0.00 -2.61 1.97 0.00 -0.55 0.00 0.00 41.25 40.06 1ywx s ASN 46 CO 0.01 -0.47 2.17 0.07 -2.79 0.00 0.00 177.10 176.09 1ywx h LYS 47 N 5.17 0.00 -6.62 0.43 5.09 -1.96 -3.40 116.57 115.28 1ywx h LYS 47 Ca -0.45 0.00 -0.45 0.00 0.09 0.00 0.00 60.65 59.84 1ywx h LYS 47 Cb 1.21 0.00 0.03 0.00 0.10 0.00 0.00 32.23 33.58 1ywx h LYS 47 CO 0.75 0.00 -0.15 -0.65 -2.09 0.00 0.00 179.45 177.32 1ywx s GLN 48 N -3.93 2.53 -0.89 0.07 -0.21 -1.26 -4.32 119.66 111.65 1ywx s GLN 48 Ca -0.03 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.06 1ywx s GLN 48 Cb 0.11 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.47 1ywx s GLN 48 CO 0.42 -0.62 0.00 1.33 -2.12 0.00 0.00 175.29 174.31 1ywx n VAL 49 N -2.13 -0.26 -4.57 1.09 0.24 -1.26 -4.89 118.33 106.56 1ywx n VAL 49 Ca 0.11 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.18 1ywx n VAL 49 Cb 0.60 -1.16 -0.16 0.00 -1.47 0.00 0.00 33.84 31.65 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 -4.53 1.80 0.30 1.34 0.20 -1.26 -3.37 118.68 113.15 1ywx s LEU 50 Ca 0.00 -0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.44 1ywx s LEU 50 Cb 0.00 -0.73 0.01 0.00 -0.43 0.00 0.00 46.19 45.04 1ywx s LEU 50 CO 0.00 0.09 0.57 -0.69 -0.29 0.00 0.00 176.35 176.02 1ywx s VAL 51 N 0.23 0.00 0.08 1.68 1.01 -1.16 -5.05 120.40 117.19 1ywx s VAL 51 Ca -0.05 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.61 1ywx s VAL 51 Cb -0.11 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1ywx s VAL 51 CO 0.01 0.00 0.22 -0.69 0.00 0.00 0.00 175.10 174.64 1ywx s VAL 52 N -3.49 5.30 -0.15 2.92 1.01 -1.26 -2.20 120.40 122.53 1ywx s VAL 52 Ca 0.21 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1ywx s VAL 52 Cb -0.02 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 1ywx s VAL 52 CO 0.12 0.08 0.11 0.44 0.00 0.00 0.00 175.10 175.85 1ywx h ASP 53 N 2.86 0.00 -4.56 3.32 5.19 0.12 -3.45 116.42 119.90 1ywx h ASP 53 Ca -0.46 -0.30 0.13 0.00 -0.62 0.00 0.00 57.03 55.78 1ywx h ASP 53 Cb 1.17 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.52 1ywx h ASP 53 CO 0.73 0.97 0.54 -0.89 -3.12 0.00 0.00 179.24 177.47 1ywx s THR 54 N -2.14 0.00 0.19 0.35 2.01 -1.00 -4.94 115.64 110.11 1ywx s THR 54 Ca -0.17 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1ywx s THR 54 Cb 0.02 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1ywx s THR 54 CO 0.36 0.00 0.12 -0.22 -0.69 0.00 0.00 174.62 174.18 1ywx s LEU 55 N -2.37 1.28 -0.28 4.42 2.96 -1.26 0.97 118.68 124.40 1ywx s LEU 55 Ca 0.05 -1.36 -0.16 0.00 -0.22 0.00 0.00 54.13 52.45 1ywx s LEU 55 Cb -0.01 0.35 0.10 0.00 0.50 0.00 0.00 46.19 47.13 1ywx s LEU 55 CO -0.08 -0.81 0.75 -1.81 -1.32 0.00 0.00 176.35 173.08 1ywx s ASP 56 N -3.15 -0.87 0.46 3.68 1.11 0.34 -4.90 116.67 113.34 1ywx s ASP 56 Ca 0.36 1.37 -0.23 0.00 0.18 0.00 0.00 52.55 54.24 1ywx s ASP 56 Cb 0.07 1.42 -0.07 0.00 1.07 0.00 0.00 42.92 45.41 1ywx s ASP 56 CO 0.10 -0.21 1.15 -1.58 1.18 0.00 0.00 175.17 175.81 1ywx s GLN 57 N 1.69 3.77 -0.17 8.23 0.74 -1.26 -0.29 119.66 132.37 1ywx s GLN 57 Ca -0.09 1.72 -0.11 0.00 0.05 0.00 0.00 55.36 56.93 1ywx s GLN 57 Cb -0.05 -2.38 -0.05 0.00 1.10 0.00 0.00 33.01 31.63 1ywx s GLN 57 CO -0.19 -0.53 0.19 0.42 -0.55 0.00 0.00 175.29 174.63 1ywx s ILE 58 N -1.59 5.38 0.01 -2.34 -1.09 0.56 -4.86 121.20 117.29 1ywx s ILE 58 Ca 0.64 0.32 -0.18 0.00 -2.23 0.00 0.00 60.65 59.19 1ywx s ILE 58 Cb -0.27 -3.51 -0.28 0.00 -1.58 0.00 0.00 42.46 36.81 1ywx s ILE 58 CO 0.33 0.46 1.05 0.15 -1.23 0.00 0.00 174.94 175.70 1ywx h PHE 59 N 6.32 0.79 -0.86 3.97 3.04 -1.95 -3.32 116.94 124.93 1ywx h PHE 59 Ca -0.44 -0.50 0.17 0.00 3.98 0.00 0.00 57.97 61.18 1ywx h PHE 59 Cb 1.17 -0.06 -0.16 0.00 2.56 0.00 0.00 35.95 39.46 1ywx h PHE 59 CO 0.62 1.35 -0.24 0.78 -2.02 0.00 0.00 178.31 178.80 1ywx h GLY 60 N 0.01 0.51 0.00 2.40 0.00 -1.96 -3.44 103.07 100.59 1ywx h GLY 60 Ca -0.15 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ywx h GLY 60 CO 0.19 -0.31 0.00 0.58 0.00 0.00 0.00 176.54 177.00 1ywx n LYS 61 N -5.54 0.00 -1.76 4.80 2.85 -1.25 -5.03 118.16 112.23 1ywx n LYS 61 Ca 0.12 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.02 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 7.28 -4.86 -5.58 4.77 -1.26 -4.51 117.00 112.84 1ywx n LEU 62 Ca 0.00 -4.59 -0.21 0.00 -0.03 0.00 0.00 56.01 51.18 1ywx n LEU 62 Cb 0.00 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 39.95 1ywx n LEU 62 CO 0.00 1.72 -0.05 -0.70 -1.33 0.00 0.00 177.39 177.03 1ywx s GLU 63 N -3.46 2.63 -0.24 3.23 2.12 -1.26 -3.17 118.70 118.56 1ywx s GLU 63 Ca 0.54 -1.40 -0.08 0.00 0.36 0.00 0.00 54.97 54.39 1ywx s GLU 63 Cb 0.43 -2.42 0.11 0.00 0.26 0.00 0.00 34.13 32.50 1ywx s GLU 63 CO -0.34 -0.02 0.51 0.00 -0.54 0.00 0.00 175.26 174.87 1ywx s ALA 64 N -2.38 -1.50 -0.09 6.30 0.00 0.14 0.21 121.76 124.44 1ywx s ALA 64 Ca 0.44 1.84 -0.05 0.00 0.00 0.00 0.00 51.96 54.19 1ywx s ALA 64 Cb -0.05 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 1ywx s ALA 64 CO 0.27 -0.82 0.11 -2.00 0.00 0.00 0.00 175.76 173.32 1ywx s GLU 65 N 2.71 3.31 0.11 0.00 2.12 0.60 0.19 118.70 127.74 1ywx s GLU 65 Ca -0.03 -0.24 -0.24 0.00 0.36 0.00 0.00 54.97 54.81 1ywx s GLU 65 Cb -0.12 -3.07 0.07 0.00 0.26 0.00 0.00 34.13 31.27 1ywx s GLU 65 CO -0.15 0.74 0.60 0.20 -0.54 0.00 0.00 175.26 176.11 1ywx s GLY 66 N -1.17 -0.59 0.01 -1.50 0.00 -0.97 0.13 107.32 103.22 1ywx s GLY 66 Ca 0.17 0.64 -0.00 0.00 0.00 0.00 0.00 44.72 45.52 1ywx s GLY 66 CO 0.06 0.31 0.11 -0.47 0.00 0.00 0.00 173.10 173.10 1ywx s TYR 67 N -3.17 3.33 0.15 1.90 6.14 0.27 -3.08 117.35 122.89 1ywx s TYR 67 Ca -0.02 0.21 0.10 0.00 0.64 0.00 0.00 57.07 58.01 1ywx s TYR 67 Cb -0.01 -1.74 -0.04 0.00 0.42 0.00 0.00 41.96 40.60 1ywx s TYR 67 CO -0.08 0.56 -0.19 0.00 0.64 0.00 0.00 175.55 176.48 1ywx s ALA 68 N -1.26 2.65 0.01 3.97 0.00 -0.33 0.16 121.76 126.96 1ywx s ALA 68 Ca 0.25 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1ywx s ALA 68 Cb -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1ywx s ALA 68 CO 0.17 0.53 -0.06 0.21 0.00 0.00 0.00 175.76 176.61 1ywx s LYS 69 N -2.36 0.42 -0.02 0.00 2.36 -0.94 -2.71 119.74 116.49 1ywx s LYS 69 Ca 0.19 -0.39 0.01 0.00 -2.55 0.00 0.00 55.97 53.23 1ywx s LYS 69 Cb -0.10 -0.32 0.02 0.00 -1.05 0.00 0.00 37.83 36.39 1ywx s LYS 69 CO 0.10 0.08 -0.01 0.42 1.55 0.00 0.00 175.35 177.49 1ywx s ILE 70 N -0.60 0.19 0.42 5.43 1.01 -1.12 -2.98 121.20 123.54 1ywx s ILE 70 Ca -0.03 0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1ywx s ILE 70 Cb -0.05 -0.25 -0.06 0.00 0.01 0.00 0.00 42.46 42.11 1ywx s ILE 70 CO -0.00 0.13 0.15 -0.72 0.00 0.00 0.00 174.94 174.50 1ywx s TYR 71 N 0.76 2.56 -0.02 3.97 -0.85 -1.22 0.87 117.35 123.43 1ywx s TYR 71 Ca -0.08 -0.61 -0.05 0.00 -0.52 0.00 0.00 57.07 55.81 1ywx s TYR 71 Cb -0.11 -1.92 -0.28 0.00 0.38 0.00 0.00 41.96 40.02 1ywx s TYR 71 CO -0.01 0.22 0.77 -0.91 -1.52 0.00 0.00 175.55 174.10 1ywx h ASN 72 N 1.47 0.45 -5.00 -0.18 2.35 -1.89 -3.47 115.58 109.31 1ywx h ASN 72 Ca -0.43 -0.66 -0.07 0.00 -0.55 0.00 0.00 56.30 54.59 1ywx h ASN 72 Cb 1.25 -0.15 -0.18 0.00 0.05 0.00 0.00 38.32 39.29 1ywx h ASN 72 CO 0.72 1.56 0.05 1.51 -1.65 0.00 0.00 177.43 179.61 1ywx s ASP 73 N -7.05 -0.50 0.51 5.81 1.47 -1.26 -5.02 116.67 110.62 1ywx s ASP 73 Ca -0.12 0.44 0.32 0.00 1.18 0.00 0.00 52.55 54.37 1ywx s ASP 73 Cb 0.06 0.48 1.22 0.00 -0.34 0.00 0.00 42.92 44.34 1ywx s ASP 73 CO 0.85 -0.60 1.92 -0.33 0.68 0.00 0.00 175.17 177.69 1ywx h GLU 74 N 3.14 0.00 -0.83 2.11 5.08 -1.96 -2.90 114.58 119.21 1ywx h GLU 74 Ca -0.29 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1ywx h GLU 74 Cb 1.17 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 1ywx h GLU 74 CO 0.40 0.00 0.49 0.87 -1.00 0.00 0.00 179.01 179.77 1ywx h LYS 75 N 0.00 0.84 0.04 2.33 1.79 -1.98 1.20 116.57 120.80 1ywx h LYS 75 Ca 0.00 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1ywx h LYS 75 Cb 0.55 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1ywx h LYS 75 CO 0.00 0.56 -0.02 0.00 -1.08 0.00 0.00 179.45 178.90 1ywx h ALA 76 N 1.43 -0.06 -0.64 3.86 0.00 -1.95 -3.24 119.26 118.67 1ywx h ALA 76 Ca 0.38 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1ywx h ALA 76 Cb 0.28 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1ywx h ALA 76 CO -0.21 -0.11 0.16 1.98 0.00 0.00 0.00 179.25 181.08 1ywx h MET 77 N -0.91 0.29 -0.52 0.00 1.85 -1.37 1.72 114.93 115.99 1ywx h MET 77 Ca -0.01 -0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.22 1ywx h MET 77 Cb 0.65 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.59 1ywx h MET 77 CO 0.01 0.19 0.45 0.00 -0.40 0.00 0.00 176.91 177.16 1ywx h ALA 78 N 1.50 2.35 0.00 0.39 0.00 0.14 -1.09 119.26 122.54 1ywx h ALA 78 Ca 0.34 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1ywx h ALA 78 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ywx h ALA 78 CO -0.40 -0.72 -1.20 2.41 0.00 0.00 0.00 179.25 179.34 1ywx n THR 79 N -4.00 1.49 0.00 0.00 -1.04 0.18 -4.62 114.28 106.28 1ywx n THR 79 Ca 0.10 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ywx n THR 79 Cb 0.67 -2.22 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 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 -4.46 0.00 -2.66 12.58 5.41 0.53 -4.61 119.36 126.15 1ywx n ILE 80 Ca -0.23 1.44 -0.23 0.00 1.00 0.00 0.00 62.75 64.73 1ywx n ILE 80 Cb 0.54 -1.95 0.11 0.00 -0.71 0.00 0.00 39.64 37.63 1ywx n ILE 80 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ywx s GLU 81 N -2.76 1.68 0.00 0.38 1.03 -0.44 -5.06 118.70 113.53 1ywx s GLU 81 Ca 0.00 -1.25 0.00 0.00 0.03 0.00 0.00 54.97 53.75 1ywx s GLU 81 Cb 0.00 -2.37 0.00 0.00 -0.80 0.00 0.00 34.13 30.96 1ywx s GLU 81 CO 0.00 -1.43 0.00 0.25 -1.33 0.00 0.00 175.26 172.75 1ywx n THR 82 N -2.79 0.00 0.23 1.83 -2.24 -1.26 -4.60 114.28 105.46 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 0.61 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.42 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 0.16 0.09 -0.78 0.00 -1.26 -1.42 118.16 114.96 1ywx n LYS 83 Ca 0.00 0.58 -0.13 0.00 -0.00 0.00 0.00 58.31 58.76 1ywx n LYS 83 Cb 0.00 -1.96 -0.07 0.00 -0.00 0.00 0.00 35.03 33.00 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 -0.12 0.18 -5.58 0.02 -1.98 0.91 113.55 106.98 1ywx h SER 84 Ca 0.00 -0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.64 1ywx h SER 84 Cb 0.11 0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ywx h SER 84 CO 0.00 -0.06 -1.37 0.58 -1.14 0.00 0.00 176.83 174.84 1ywx h VAL 85 N -0.17 1.20 0.00 2.27 2.07 -1.80 -3.23 116.25 116.59 1ywx h VAL 85 Ca -0.01 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.95 1ywx h VAL 85 Cb 0.13 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1ywx h VAL 85 CO 0.02 0.78 0.00 -0.07 0.02 0.00 0.00 177.57 178.32 1ywx h LEU 86 N -0.09 0.00 0.32 2.57 4.07 -1.23 -2.50 115.31 118.45 1ywx h LEU 86 Ca -0.26 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 1ywx h LEU 86 Cb 1.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.68 1ywx h LEU 86 CO 0.18 0.00 -0.15 -0.33 -1.08 0.00 0.00 178.44 177.06 1ywx h GLU 87 N 0.00 -0.41 -0.78 1.13 4.39 0.85 -2.44 114.58 117.33 1ywx h GLU 87 Ca 0.00 0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.88 1ywx h GLU 87 Cb 0.15 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1ywx h GLU 87 CO 0.00 -0.19 0.52 1.57 -1.16 0.00 0.00 179.01 179.75 1ywx h LYS 88 N -0.55 0.40 -6.72 2.33 2.10 -1.58 -3.41 116.57 109.14 1ywx h LYS 88 Ca -0.04 -0.02 -0.44 0.00 -2.00 0.00 0.00 60.65 58.14 1ywx h LYS 88 Cb 0.41 -0.09 0.04 0.00 -0.90 0.00 0.00 32.23 31.68 1ywx h LYS 88 CO 0.07 0.27 -0.10 1.21 -2.00 0.00 0.00 179.45 178.90 1ywx s ASN 89 N -5.90 5.53 0.55 7.07 3.04 -0.92 -5.03 114.94 119.29 1ywx s ASN 89 Ca -0.08 0.03 -0.18 0.00 0.04 0.00 0.00 52.86 52.68 1ywx s ASN 89 Cb 0.21 -1.09 -0.15 0.00 -1.54 0.00 0.00 41.25 38.69 1ywx s ASN 89 CO 0.77 -0.92 -0.20 1.17 -3.04 0.00 0.00 177.10 174.88 1ywx n LYS 90 N -2.17 0.00 0.00 0.43 4.81 -1.26 -4.86 118.16 115.12 1ywx n LYS 90 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1ywx n LYS 90 Cb 0.59 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.65 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 -1.60 0.00 -1.05 3.15 2.08 -1.26 -4.73 119.36 115.95 1ywx n ILE 91 Ca 0.07 0.40 0.00 0.00 0.56 0.00 0.00 62.75 63.78 1ywx n ILE 91 Cb 0.47 -0.81 0.00 0.00 -0.75 0.00 0.00 39.64 38.55 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 -0.47 -2.81 -4.17 0.38 2.13 -1.26 -5.01 120.64 109.43 1ywx n GLU 92 Ca 0.00 2.16 -0.28 0.00 0.66 0.00 0.00 57.16 59.70 1ywx n GLU 92 Cb 0.00 -2.63 -0.04 0.00 0.27 0.00 0.00 31.44 29.04 1ywx n GLU 92 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1ywx s GLU 93 N -4.83 2.24 0.00 5.31 -1.05 -1.26 -5.15 118.70 113.96 1ywx s GLU 93 Ca 0.00 -2.08 0.00 0.00 -0.15 0.00 0.00 54.97 52.74 1ywx s GLU 93 Cb 0.00 -1.92 0.00 0.00 -0.44 0.00 0.00 34.13 31.77 1ywx s GLU 93 CO 0.00 -0.44 0.00 -0.85 0.95 0.00 0.00 175.26 174.92 1ywx n GLU 94 N -1.51 3.00 -2.54 -4.83 0.28 -1.26 -4.93 120.64 108.84 1ywx n GLU 94 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.88 1ywx n GLU 94 Cb 0.65 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.53 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 -3.04 -0.08 -1.84 0.00 -1.26 -4.92 120.51 106.37 1ywx n ALA 95 Ca 0.00 0.89 -0.08 0.00 0.00 0.00 0.00 53.44 54.25 1ywx n ALA 95 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 19.45 16.57 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 1.61 -0.21 -3.66 0.00 5.08 -2.08 -3.48 114.58 111.85 1ywx h GLU 96 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ywx h GLU 96 Cb 0.73 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1ywx h GLU 96 CO 0.15 -0.14 -0.96 0.00 -1.00 0.00 0.00 179.01 177.06 1ywx n ALA 97 N -2.92 -1.99 -0.21 3.43 0.00 -1.26 -5.06 120.51 112.50 1ywx n ALA 97 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1ywx n ALA 97 Cb 0.19 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.18 1ywx n ALA 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ywx n GLU 98 N -2.65 0.00 -3.79 0.00 2.13 -1.26 -5.11 120.64 109.95 1ywx n GLU 98 Ca -0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1ywx n GLU 98 Cb 0.48 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.02 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 -0.79 0.62 0.00 6.31 -7.23 -1.26 -5.10 120.40 112.95 1ywx s VAL 99 Ca 0.00 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1ywx s VAL 99 Cb 0.00 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.05 1ywx s VAL 99 CO 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 175.10 174.88 1ywx n ALA 100 N 5.04 0.00 -2.42 1.32 0.00 -1.26 -5.18 120.51 118.01 1ywx n ALA 100 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1ywx n ALA 100 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.00 1.60 0.00 0.00 2.12 -1.26 -5.24 118.70 113.92 1ywx s GLU 101 Ca 0.00 -1.89 0.00 0.00 0.36 0.00 0.00 54.97 53.44 1ywx s GLU 101 Cb 0.00 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.70 1ywx s GLU 101 CO 0.00 -0.23 0.00 -0.85 -0.54 0.00 0.00 175.26 173.64