#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 5.73 0.05 6.12 1.11 -1.19 -5.02 116.67 123.47 1ywx s ASP 2 Ca 0.00 -2.55 0.09 0.00 0.18 0.00 0.00 52.55 50.27 1ywx s ASP 2 Cb 0.00 -1.98 -0.03 0.00 1.07 0.00 0.00 42.92 41.98 1ywx s ASP 2 CO 0.00 -0.50 -0.26 -0.63 1.18 0.00 0.00 175.17 174.96 1ywx s ILE 3 N 0.38 2.10 -0.04 0.77 1.01 -1.26 0.07 121.20 124.24 1ywx s ILE 3 Ca 0.14 -1.39 -0.00 0.00 0.00 0.00 0.00 60.65 59.40 1ywx s ILE 3 Cb -0.19 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1ywx s ILE 3 CO -0.04 0.34 0.01 -0.55 0.00 0.00 0.00 174.94 174.70 1ywx s SER 4 N -1.26 0.64 0.00 3.58 0.15 -0.56 -4.94 113.70 111.31 1ywx s SER 4 Ca 0.11 -0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.45 1ywx s SER 4 Cb -0.10 -0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 1ywx s SER 4 CO 0.02 -0.13 0.97 -0.63 1.20 0.00 0.00 173.24 174.67 1ywx s ILE 5 N 1.29 4.86 -0.15 6.45 -1.09 -1.26 0.61 121.20 131.91 1ywx s ILE 5 Ca -0.06 2.04 -0.10 0.00 -2.23 0.00 0.00 60.65 60.30 1ywx s ILE 5 Cb -0.13 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.39 1ywx s ILE 5 CO -0.02 0.17 -0.12 0.40 -1.23 0.00 0.00 174.94 174.13 1ywx h ILE 6 N 4.76 0.11 -4.02 2.92 1.08 -0.16 -3.47 117.51 118.72 1ywx h ILE 6 Ca -0.41 -1.14 -0.12 0.00 -0.39 0.00 0.00 64.86 62.80 1ywx h ILE 6 Cb 1.22 0.26 -0.13 0.00 -3.07 0.00 0.00 36.82 35.10 1ywx h ILE 6 CO 0.75 0.04 -0.42 -0.94 -0.69 0.00 0.00 178.15 176.89 1ywx s SER 7 N -5.86 0.13 -0.31 1.72 1.04 -0.85 -4.99 113.70 104.58 1ywx s SER 7 Ca -0.16 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 55.32 1ywx s SER 7 Cb 0.02 0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.63 1ywx s SER 7 CO 0.25 -0.83 0.11 1.51 0.98 0.00 0.00 173.24 175.27 1ywx s ASP 8 N -2.97 3.86 0.16 7.02 1.47 -1.26 -0.98 116.67 123.96 1ywx s ASP 8 Ca 0.17 -1.60 0.02 0.00 1.18 0.00 0.00 52.55 52.32 1ywx s ASP 8 Cb 0.05 -0.72 -0.04 0.00 -0.34 0.00 0.00 42.92 41.87 1ywx s ASP 8 CO -0.01 -0.41 0.31 -0.13 0.68 0.00 0.00 175.17 175.60 1ywx s ARG 9 N 1.69 3.46 -0.04 2.11 0.52 0.37 -5.01 118.95 122.04 1ywx s ARG 9 Ca 0.10 -0.53 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 1ywx s ARG 9 Cb -0.17 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.37 1ywx s ARG 9 CO -0.27 0.49 -0.07 1.21 0.02 0.00 0.00 175.30 176.69 1ywx s ASN 10 N -3.19 1.12 -0.43 0.23 2.47 -1.26 -2.73 114.94 111.14 1ywx s ASN 10 Ca 0.35 -0.17 0.02 0.00 0.42 0.00 0.00 52.86 53.49 1ywx s ASN 10 Cb -0.11 -0.46 0.13 0.00 -1.45 0.00 0.00 41.25 39.36 1ywx s ASN 10 CO 0.29 0.00 0.22 0.20 -3.72 0.00 0.00 177.10 174.08 1ywx s ASN 11 N 0.61 3.86 0.09 -4.21 0.01 0.71 -4.95 114.94 111.06 1ywx s ASN 11 Ca -0.09 -2.57 -0.12 0.00 -0.71 0.00 0.00 52.86 49.37 1ywx s ASN 11 Cb -0.13 -1.15 -0.19 0.00 0.41 0.00 0.00 41.25 40.20 1ywx s ASN 11 CO 0.01 -0.28 1.25 1.55 -1.51 0.00 0.00 177.10 178.11 1ywx h PRO 12 N 6.87 0.70 -0.13 -0.60 0.13 -1.93 1.56 132.00 138.61 1ywx h PRO 12 Ca -0.04 -0.69 0.01 0.00 -0.87 0.00 0.00 66.00 64.42 1ywx h PRO 12 Cb 0.93 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1ywx h PRO 12 CO 0.52 1.28 -0.11 -0.07 -0.23 0.00 0.00 178.00 179.38 1ywx h LEU 13 N 0.43 -0.39 -0.46 1.56 4.07 -1.92 0.42 115.31 119.02 1ywx h LEU 13 Ca -0.10 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ywx h LEU 13 Cb 1.58 0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.49 1ywx h LEU 13 CO 0.19 -0.07 0.00 0.18 -1.08 0.00 0.00 178.44 177.66 1ywx n LEU 14 N -3.31 0.68 -1.54 1.67 4.77 -1.25 -4.89 117.00 113.13 1ywx n LEU 14 Ca -0.00 0.63 -0.08 0.00 -0.03 0.00 0.00 56.01 56.53 1ywx n LEU 14 Cb 0.06 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1ywx n LEU 14 CO -0.01 -0.43 0.08 0.00 -1.33 0.00 0.00 177.39 175.70 1ywx n GLN 15 N -2.21 -2.56 -4.31 3.23 6.02 0.15 -4.94 117.38 112.75 1ywx n GLN 15 Ca 0.03 0.27 -0.17 0.00 -0.01 0.00 0.00 57.00 57.13 1ywx n GLN 15 Cb 0.29 -3.60 -0.10 0.00 1.02 0.00 0.00 30.24 27.85 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 -5.33 1.23 -0.07 -1.09 0.52 0.52 -2.80 118.95 111.92 1ywx s ARG 16 Ca 0.17 -1.55 0.01 0.00 -0.52 0.00 0.00 55.73 53.84 1ywx s ARG 16 Cb -0.08 -0.87 0.02 0.00 0.52 0.00 0.00 34.95 34.54 1ywx s ARG 16 CO 0.24 0.11 -0.08 0.50 0.02 0.00 0.00 175.30 176.08 1ywx s ARG 17 N -3.71 1.37 -0.21 3.54 3.52 0.40 -0.21 118.95 123.65 1ywx s ARG 17 Ca 0.21 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1ywx s ARG 17 Cb 0.01 -1.29 0.02 0.00 -1.56 0.00 0.00 34.95 32.14 1ywx s ARG 17 CO 0.05 -0.10 -0.13 -1.21 -0.81 0.00 0.00 175.30 173.09 1ywx s GLU 18 N 1.10 2.95 -0.14 5.12 2.02 -1.11 -0.20 118.70 128.43 1ywx s GLU 18 Ca -0.07 -0.88 0.02 0.00 0.02 0.00 0.00 54.97 54.05 1ywx s GLU 18 Cb -0.14 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.33 1ywx s GLU 18 CO -0.01 -0.29 -0.18 0.42 0.02 0.00 0.00 175.26 175.22 1ywx s ILE 19 N 1.31 1.80 -0.03 -1.63 1.01 0.31 -0.48 121.20 123.49 1ywx s ILE 19 Ca 0.03 -0.80 -0.16 0.00 0.00 0.00 0.00 60.65 59.71 1ywx s ILE 19 Cb -0.15 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.64 1ywx s ILE 19 CO -0.08 0.50 0.44 -0.75 0.00 0.00 0.00 174.94 175.04 1ywx s LYS 20 N 1.11 4.07 0.39 2.79 2.47 -0.15 0.25 119.74 130.66 1ywx s LYS 20 Ca -0.02 0.44 -0.14 0.00 -1.56 0.00 0.00 55.97 54.69 1ywx s LYS 20 Cb -0.14 -3.29 0.06 0.00 -1.46 0.00 0.00 37.83 33.00 1ywx s LYS 20 CO -0.06 0.53 0.77 1.97 0.16 0.00 0.00 175.35 178.72 1ywx n PHE 21 N 2.36 -2.32 -4.21 4.03 -1.74 -1.13 0.60 117.46 115.05 1ywx n PHE 21 Ca -0.12 -1.83 -0.15 0.00 -0.56 0.00 0.00 57.45 54.79 1ywx n PHE 21 Cb 0.52 0.90 -0.11 0.00 1.52 0.00 0.00 39.48 42.31 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 -2.14 1.10 -0.03 1.97 2.01 0.20 -2.59 115.64 116.16 1ywx s THR 22 Ca 0.16 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1ywx s THR 22 Cb -0.05 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1ywx s THR 22 CO 0.12 -0.56 0.01 0.54 -0.69 0.00 0.00 174.62 174.04 1ywx s VAL 23 N -2.53 0.12 0.15 3.82 0.11 0.50 -1.50 120.40 121.08 1ywx s VAL 23 Ca 0.09 0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.31 1ywx s VAL 23 Cb -0.02 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1ywx s VAL 23 CO 0.01 0.13 -0.15 -0.55 -3.33 0.00 0.00 175.10 171.21 1ywx s SER 24 N 0.96 2.27 0.11 3.54 0.15 0.11 0.76 113.70 121.60 1ywx s SER 24 Ca -0.09 -0.90 -0.03 0.00 0.70 0.00 0.00 55.95 55.63 1ywx s SER 24 Cb -0.13 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.10 1ywx s SER 24 CO -0.02 -0.15 0.20 2.22 1.20 0.00 0.00 173.24 176.69 1ywx n PHE 25 N 0.17 -1.14 -3.90 3.44 -1.74 -1.17 -3.19 117.46 109.93 1ywx n PHE 25 Ca -0.12 -0.60 -0.30 0.00 -0.56 0.00 0.00 57.45 55.87 1ywx n PHE 25 Cb 0.58 0.23 -0.12 0.00 1.52 0.00 0.00 39.48 41.69 1ywx n PHE 25 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1ywx s ASP 26 N -1.62 4.69 0.52 5.98 1.11 -1.26 -4.81 116.67 121.29 1ywx s ASP 26 Ca 0.06 -3.45 0.00 0.00 0.18 0.00 0.00 52.55 49.35 1ywx s ASP 26 Cb -0.01 -1.67 0.00 0.00 1.07 0.00 0.00 42.92 42.32 1ywx s ASP 26 CO 0.05 -0.17 0.00 0.00 1.18 0.00 0.00 175.17 176.23 1ywx n ALA 27 N 2.54 -2.38 -2.75 5.23 0.00 -1.26 -4.97 120.51 116.93 1ywx n ALA 27 Ca 0.13 0.58 -0.04 0.00 0.00 0.00 0.00 53.44 54.11 1ywx n ALA 27 Cb 0.34 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.10 -2.92 -2.05 0.00 0.00 -1.26 -4.94 120.51 106.23 1ywx n ALA 28 Ca -0.03 1.73 -0.34 0.00 0.00 0.00 0.00 53.44 54.79 1ywx n ALA 28 Cb 0.49 -3.53 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 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 -0.49 4.55 0.00 0.00 -1.32 -1.26 -5.02 115.64 112.10 1ywx s THR 29 Ca -0.21 1.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.51 1ywx s THR 29 Cb 0.01 -3.75 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 1ywx s THR 29 CO 0.57 -0.00 0.00 -0.81 -2.21 0.00 0.00 174.62 172.16 1ywx n PRO 30 N 0.15 0.71 -3.94 7.08 -0.04 -1.26 -5.10 135.00 132.60 1ywx n PRO 30 Ca 0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 1ywx n PRO 30 Cb 0.52 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 4.58 -0.02 3.54 0.01 -1.26 -4.95 113.70 114.36 1ywx s SER 31 Ca 0.00 -1.33 -0.23 0.00 1.31 0.00 0.00 55.95 55.71 1ywx s SER 31 Cb 0.00 0.58 -0.15 0.00 0.21 0.00 0.00 66.02 66.66 1ywx s SER 31 CO 0.00 -1.17 1.03 0.40 0.41 0.00 0.00 173.24 173.90 1ywx h ILE 32 N 0.71 0.60 -0.05 1.44 2.04 -1.98 0.56 117.51 120.81 1ywx h ILE 32 Ca -0.36 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1ywx h ILE 32 Cb 1.31 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1ywx h ILE 32 CO 0.57 0.12 -0.07 0.50 0.00 0.00 0.00 178.15 179.27 1ywx h LYS 33 N -0.88 0.08 0.00 2.37 3.11 -1.97 1.00 116.57 120.27 1ywx h LYS 33 Ca -0.04 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.64 1ywx h LYS 33 Cb 0.52 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1ywx h LYS 33 CO 0.07 0.16 -0.72 0.22 -2.81 0.00 0.00 179.45 176.37 1ywx h ASP 34 N 0.08 0.00 0.00 4.20 3.58 -1.93 -2.71 116.42 119.63 1ywx h ASP 34 Ca 0.02 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1ywx h ASP 34 Cb 0.19 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1ywx h ASP 34 CO 0.01 0.72 -0.12 0.58 -2.88 0.00 0.00 179.24 177.56 1ywx h VAL 35 N 0.00 0.81 -0.47 2.25 2.07 0.20 -3.28 116.25 117.84 1ywx h VAL 35 Ca -0.01 -1.64 0.13 0.00 0.82 0.00 0.00 66.70 66.01 1ywx h VAL 35 Cb 1.42 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1ywx h VAL 35 CO 0.09 0.27 0.54 0.07 0.02 0.00 0.00 177.57 178.57 1ywx h LYS 36 N -1.00 0.00 -0.40 1.57 5.09 0.84 0.19 116.57 122.86 1ywx h LYS 36 Ca -0.02 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.80 1ywx h LYS 36 Cb 0.54 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.79 1ywx h LYS 36 CO -0.01 0.00 -0.10 0.52 -2.09 0.00 0.00 179.45 177.77 1ywx h MET 37 N 0.00 0.00 -0.02 0.07 2.86 -1.53 1.53 114.93 117.84 1ywx h MET 37 Ca 0.22 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1ywx h MET 37 Cb 1.29 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1ywx h MET 37 CO -0.00 0.00 -0.10 0.87 1.06 0.00 0.00 176.91 178.74 1ywx h LYS 38 N 0.00 0.11 -0.78 1.72 6.56 -1.12 -3.10 116.57 119.96 1ywx h LYS 38 Ca 0.19 -0.08 0.16 0.00 -1.06 0.00 0.00 60.65 59.86 1ywx h LYS 38 Cb 0.29 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 31.92 1ywx h LYS 38 CO -0.41 0.74 0.52 -0.07 -2.06 0.00 0.00 179.45 178.17 1ywx h LEU 39 N -0.51 0.36 -0.94 2.94 3.38 -1.10 0.31 115.31 119.76 1ywx h LEU 39 Ca -0.01 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1ywx h LEU 39 Cb 0.76 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1ywx h LEU 39 CO 0.02 0.18 0.57 0.58 0.09 0.00 0.00 178.44 179.88 1ywx h VAL 40 N 0.38 0.94 -0.07 1.22 2.07 0.23 1.54 116.25 122.55 1ywx h VAL 40 Ca 0.38 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.42 1ywx h VAL 40 Cb 0.94 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ywx h VAL 40 CO -0.12 0.17 -0.60 0.00 0.02 0.00 0.00 177.57 177.04 1ywx h ALA 41 N 1.50 0.17 0.13 1.67 0.00 -0.49 1.52 119.26 123.76 1ywx h ALA 41 Ca 0.45 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ywx h ALA 41 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ywx h ALA 41 CO -0.25 0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.65 1ywx h VAL 42 N 0.12 0.89 -0.01 0.00 2.07 -0.01 -2.69 116.25 116.61 1ywx h VAL 42 Ca -0.06 -0.06 -0.18 0.00 0.82 0.00 0.00 66.70 67.23 1ywx h VAL 42 Cb 1.26 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1ywx h VAL 42 CO 0.12 0.01 -0.80 -0.07 0.02 0.00 0.00 177.57 176.86 1ywx h LEU 43 N -0.20 0.18 -1.79 2.57 3.38 0.21 -3.48 115.31 116.18 1ywx h LEU 43 Ca -0.02 -0.14 -0.38 0.00 0.09 0.00 0.00 57.88 57.44 1ywx h LEU 43 Cb 0.16 -0.06 0.11 0.00 0.09 0.00 0.00 40.66 40.96 1ywx h LEU 43 CO 0.03 0.91 -0.81 -3.20 0.09 0.00 0.00 178.44 175.46 1ywx n ASN 44 N -3.68 -1.83 -2.19 -0.43 5.15 0.52 -5.00 115.26 107.79 1ywx n ASN 44 Ca -0.03 -0.74 -0.02 0.00 -0.60 0.00 0.00 54.58 53.19 1ywx n ASN 44 Cb 0.76 -4.53 -0.00 0.00 -0.53 0.00 0.00 39.78 35.47 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 -4.17 0.04 -2.24 5.20 0.00 -1.14 -5.03 120.51 113.17 1ywx n ALA 45 Ca -0.28 -0.16 -0.38 0.00 0.00 0.00 0.00 53.44 52.62 1ywx n ALA 45 Cb 0.67 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 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 5.63 0.62 0.00 3.84 -1.26 -4.80 114.94 117.77 1ywx s ASN 46 Ca 0.00 -0.12 0.33 0.00 0.21 0.00 0.00 52.86 53.29 1ywx s ASN 46 Cb -0.00 -2.54 1.92 0.00 -0.55 0.00 0.00 41.25 40.08 1ywx s ASN 46 CO 0.00 -2.18 2.22 0.07 -2.79 0.00 0.00 177.10 174.42 1ywx h LYS 47 N 12.67 0.00 0.90 0.43 5.09 -1.92 -2.26 116.57 131.48 1ywx h LYS 47 Ca -0.21 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.49 1ywx h LYS 47 Cb 1.10 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.44 1ywx h LYS 47 CO 1.25 0.00 -0.43 1.96 -2.09 0.00 0.00 179.45 180.14 1ywx h GLN 48 N 0.00 -1.17 -2.11 0.07 4.20 -2.03 -3.16 115.11 110.92 1ywx h GLN 48 Ca 0.03 0.08 -0.77 0.00 0.06 0.00 0.00 58.65 58.04 1ywx h GLN 48 Cb 0.20 0.26 -0.26 0.00 0.30 0.00 0.00 27.48 27.98 1ywx h GLN 48 CO -0.00 -0.77 1.07 1.33 -0.67 0.00 0.00 178.83 179.78 1ywx n VAL 49 N -5.58 4.54 -4.13 -0.54 0.24 -0.88 -4.91 118.33 107.07 1ywx n VAL 49 Ca -0.15 -4.84 -0.17 0.00 -2.04 0.00 0.00 64.34 57.14 1ywx n VAL 49 Cb 0.48 -1.39 -0.15 0.00 -1.47 0.00 0.00 33.84 31.30 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 -4.02 1.67 0.32 1.34 0.20 -1.04 -3.72 118.68 113.43 1ywx s LEU 50 Ca 0.48 -0.09 -0.11 0.00 0.69 0.00 0.00 54.13 55.10 1ywx s LEU 50 Cb 0.34 -0.31 0.02 0.00 -0.43 0.00 0.00 46.19 45.80 1ywx s LEU 50 CO -0.30 0.00 0.59 -0.69 -0.29 0.00 0.00 176.35 175.66 1ywx s VAL 51 N 0.37 0.00 0.09 1.68 1.01 -1.20 -4.95 120.40 117.41 1ywx s VAL 51 Ca -0.04 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.65 1ywx s VAL 51 Cb -0.08 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1ywx s VAL 51 CO -0.00 0.00 0.06 -0.69 0.00 0.00 0.00 175.10 174.47 1ywx s VAL 52 N -3.18 4.39 -0.13 2.92 1.01 -1.26 -2.90 120.40 121.26 1ywx s VAL 52 Ca 0.22 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1ywx s VAL 52 Cb -0.02 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.13 1ywx s VAL 52 CO 0.14 0.10 0.24 0.44 0.00 0.00 0.00 175.10 176.02 1ywx h ASP 53 N 3.25 0.00 -4.51 3.32 5.19 -1.07 -3.45 116.42 119.16 1ywx h ASP 53 Ca -0.47 -0.37 0.20 0.00 -0.62 0.00 0.00 57.03 55.77 1ywx h ASP 53 Cb 1.17 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.51 1ywx h ASP 53 CO 0.64 0.80 0.68 -0.89 -3.12 0.00 0.00 179.24 177.35 1ywx s THR 54 N -1.94 0.00 0.27 0.35 2.01 -1.12 -4.99 115.64 110.22 1ywx s THR 54 Ca -0.11 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1ywx s THR 54 Cb -0.00 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1ywx s THR 54 CO 0.31 0.00 0.11 -0.22 -0.69 0.00 0.00 174.62 174.13 1ywx s LEU 55 N -2.36 1.64 -0.30 4.42 2.96 -1.26 -0.34 118.68 123.43 1ywx s LEU 55 Ca 0.08 -1.42 -0.12 0.00 -0.22 0.00 0.00 54.13 52.45 1ywx s LEU 55 Cb -0.01 0.06 0.13 0.00 0.50 0.00 0.00 46.19 46.87 1ywx s LEU 55 CO -0.06 -0.77 0.72 -1.81 -1.32 0.00 0.00 176.35 173.12 1ywx s ASP 56 N -3.33 -1.00 0.47 3.68 1.11 0.50 -4.90 116.67 113.21 1ywx s ASP 56 Ca 0.37 1.41 -0.23 0.00 0.18 0.00 0.00 52.55 54.29 1ywx s ASP 56 Cb 0.07 2.01 -0.07 0.00 1.07 0.00 0.00 42.92 46.00 1ywx s ASP 56 CO 0.14 -0.20 1.23 -1.58 1.18 0.00 0.00 175.17 175.95 1ywx s GLN 57 N 2.56 3.64 -0.09 8.23 0.74 -1.26 0.43 119.66 133.90 1ywx s GLN 57 Ca -0.06 1.95 -0.16 0.00 0.05 0.00 0.00 55.36 57.14 1ywx s GLN 57 Cb -0.10 -2.43 -0.05 0.00 1.10 0.00 0.00 33.01 31.54 1ywx s GLN 57 CO -0.19 -0.70 0.40 0.42 -0.55 0.00 0.00 175.29 174.68 1ywx s ILE 58 N -1.44 5.18 -0.08 -2.34 -1.09 0.51 -4.81 121.20 117.12 1ywx s ILE 58 Ca 0.64 0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 59.60 1ywx s ILE 58 Cb -0.33 -3.73 -0.24 0.00 -1.58 0.00 0.00 42.46 36.58 1ywx s ILE 58 CO 0.40 0.42 0.98 0.15 -1.23 0.00 0.00 174.94 175.66 1ywx h PHE 59 N 6.08 0.07 -0.77 3.97 3.57 -1.95 -3.35 116.94 124.57 1ywx h PHE 59 Ca -0.44 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.09 1ywx h PHE 59 Cb 1.19 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.83 1ywx h PHE 59 CO 0.64 0.84 -0.46 0.41 -2.23 0.00 0.00 178.31 177.52 1ywx n GLY 60 N 1.08 -2.28 0.00 2.40 0.00 -1.26 -4.73 105.19 100.40 1ywx n GLY 60 Ca -0.10 0.97 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -4.85 2.44 -1.57 1.61 2.85 -1.26 -5.02 118.16 112.36 1ywx n LYS 61 Ca 0.02 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.91 1ywx n LYS 61 Cb 0.20 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.64 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 7.64 -5.01 -5.58 4.77 -1.26 -4.57 117.00 112.98 1ywx n LEU 62 Ca 0.00 -4.51 -0.18 0.00 -0.03 0.00 0.00 56.01 51.28 1ywx n LEU 62 Cb 0.00 -1.02 0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1ywx n LEU 62 CO 0.00 1.59 0.24 -0.70 -1.33 0.00 0.00 177.39 177.19 1ywx s GLU 63 N -3.92 2.63 -0.25 3.23 2.12 -1.26 -3.03 118.70 118.23 1ywx s GLU 63 Ca 0.59 -1.27 -0.07 0.00 0.36 0.00 0.00 54.97 54.59 1ywx s GLU 63 Cb 0.48 -2.69 0.12 0.00 0.26 0.00 0.00 34.13 32.30 1ywx s GLU 63 CO -0.18 -0.50 0.51 0.00 -0.54 0.00 0.00 175.26 174.55 1ywx s ALA 64 N -2.50 -1.56 -0.06 6.30 0.00 0.23 0.19 121.76 124.37 1ywx s ALA 64 Ca 0.57 1.77 -0.04 0.00 0.00 0.00 0.00 51.96 54.26 1ywx s ALA 64 Cb -0.09 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1ywx s ALA 64 CO 0.35 -0.92 0.12 -2.00 0.00 0.00 0.00 175.76 173.32 1ywx s GLU 65 N 2.73 3.30 0.10 0.00 2.12 0.17 0.19 118.70 127.31 1ywx s GLU 65 Ca 0.00 -0.30 -0.25 0.00 0.36 0.00 0.00 54.97 54.78 1ywx s GLU 65 Cb -0.13 -3.04 0.08 0.00 0.26 0.00 0.00 34.13 31.30 1ywx s GLU 65 CO -0.16 0.71 0.71 0.20 -0.54 0.00 0.00 175.26 176.18 1ywx s GLY 66 N -1.44 -0.55 -0.14 -1.50 0.00 -1.07 0.19 107.32 102.81 1ywx s GLY 66 Ca 0.20 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.53 1ywx s GLY 66 CO 0.10 0.22 0.03 -0.47 0.00 0.00 0.00 173.10 172.98 1ywx s TYR 67 N -3.53 3.22 -0.19 1.90 6.14 0.53 -2.83 117.35 122.59 1ywx s TYR 67 Ca 0.03 0.10 -0.07 0.00 0.64 0.00 0.00 57.07 57.76 1ywx s TYR 67 Cb -0.01 -1.95 -0.04 0.00 0.42 0.00 0.00 41.96 40.38 1ywx s TYR 67 CO -0.11 0.29 0.06 0.00 0.64 0.00 0.00 175.55 176.42 1ywx s ALA 68 N -0.19 3.34 0.04 3.97 0.00 0.14 -0.49 121.76 128.57 1ywx s ALA 68 Ca 0.06 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.27 1ywx s ALA 68 Cb -0.12 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 1ywx s ALA 68 CO 0.02 0.08 -0.16 0.21 0.00 0.00 0.00 175.76 175.90 1ywx s LYS 69 N 0.56 1.09 0.01 0.00 2.36 -1.14 0.11 119.74 122.73 1ywx s LYS 69 Ca 0.03 -0.81 0.01 0.00 -2.55 0.00 0.00 55.97 52.65 1ywx s LYS 69 Cb -0.13 -1.14 -0.01 0.00 -1.05 0.00 0.00 37.83 35.50 1ywx s LYS 69 CO 0.01 0.29 -0.05 0.42 1.55 0.00 0.00 175.35 177.57 1ywx s ILE 70 N -0.82 0.38 0.57 5.43 1.01 0.72 -3.21 121.20 125.27 1ywx s ILE 70 Ca 0.04 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1ywx s ILE 70 Cb -0.08 -0.37 0.08 0.00 0.01 0.00 0.00 42.46 42.10 1ywx s ILE 70 CO 0.01 -0.08 0.74 -0.31 0.00 0.00 0.00 174.94 175.31 1ywx s TYR 71 N -0.55 1.45 -0.26 3.97 1.51 -1.24 -0.45 117.35 121.77 1ywx s TYR 71 Ca -0.03 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.30 1ywx s TYR 71 Cb -0.05 -2.17 -0.16 0.00 -0.11 0.00 0.00 41.96 39.47 1ywx s TYR 71 CO -0.00 -1.06 -0.25 0.09 -1.11 0.00 0.00 175.55 173.23 1ywx n ASN 72 N -2.18 1.98 -3.64 2.29 3.02 -1.12 -4.89 115.26 110.72 1ywx n ASN 72 Ca 0.13 -0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.51 1ywx n ASN 72 Cb 0.62 -0.46 -0.07 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 -6.64 -0.80 0.65 6.41 -4.77 -1.26 -5.00 116.67 105.25 1ywx s ASP 73 Ca -0.35 1.38 0.29 0.00 -3.30 0.00 0.00 52.55 50.56 1ywx s ASP 73 Cb 0.10 1.36 1.58 0.00 -1.09 0.00 0.00 42.92 44.87 1ywx s ASP 73 CO 0.59 -0.23 1.89 -0.33 0.70 0.00 0.00 175.17 177.79 1ywx h GLU 74 N 6.06 0.00 -0.12 2.11 5.08 -1.97 0.08 114.58 125.83 1ywx h GLU 74 Ca -0.29 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1ywx h GLU 74 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ywx h GLU 74 CO 0.12 0.00 -0.07 0.87 -1.00 0.00 0.00 179.01 178.93 1ywx h LYS 75 N 0.00 -0.07 0.06 2.33 1.79 -1.98 1.32 116.57 120.03 1ywx h LYS 75 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ywx h LYS 75 Cb 0.67 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1ywx h LYS 75 CO 0.00 -0.05 -0.03 0.00 -1.08 0.00 0.00 179.45 178.29 1ywx h ALA 76 N 1.03 -0.09 -0.78 3.86 0.00 -1.42 -3.25 119.26 118.61 1ywx h ALA 76 Ca 0.07 -0.30 0.16 0.00 0.00 0.00 0.00 54.91 54.85 1ywx h ALA 76 Cb 0.18 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 1ywx h ALA 76 CO -0.17 -0.15 0.28 1.98 0.00 0.00 0.00 179.25 181.19 1ywx h MET 77 N -0.88 0.37 -0.45 0.00 1.85 -1.36 1.88 114.93 116.34 1ywx h MET 77 Ca -0.01 -0.02 0.13 0.00 -0.61 0.00 0.00 59.70 59.19 1ywx h MET 77 Cb 0.62 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 1ywx h MET 77 CO 0.01 0.25 0.39 0.00 -0.40 0.00 0.00 176.91 177.16 1ywx h ALA 78 N 1.60 2.27 0.00 0.39 0.00 0.17 -1.39 119.26 122.30 1ywx h ALA 78 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ywx h ALA 78 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ywx h ALA 78 CO -0.46 -0.62 -0.43 2.41 0.00 0.00 0.00 179.25 180.14 1ywx n THR 79 N -4.04 0.65 0.00 0.00 -1.04 0.28 -4.82 114.28 105.32 1ywx n THR 79 Ca 0.08 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1ywx n THR 79 Cb 0.59 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 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 -3.35 0.00 -1.13 12.58 5.41 0.57 -4.67 119.36 128.77 1ywx n ILE 80 Ca -0.06 0.95 -0.36 0.00 1.00 0.00 0.00 62.75 64.28 1ywx n ILE 80 Cb 0.22 -1.74 0.00 0.00 -0.71 0.00 0.00 39.64 37.42 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 -0.63 0.00 -3.64 0.38 4.71 -0.53 -4.94 120.64 115.99 1ywx n GLU 81 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.16 56.95 1ywx n GLU 81 Cb 0.00 -0.89 -0.01 0.00 -1.01 0.00 0.00 31.44 29.53 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 -1.65 4.63 0.66 2.62 -4.23 -1.26 -4.73 115.64 111.68 1ywx s THR 82 Ca 0.51 -0.93 0.31 0.00 -1.18 0.00 0.00 61.69 60.40 1ywx s THR 82 Cb -0.50 -3.63 0.31 0.00 1.34 0.00 0.00 72.50 70.02 1ywx s THR 82 CO 0.57 -0.27 1.94 0.07 -0.54 0.00 0.00 174.62 176.40 1ywx h LYS 83 N 0.97 0.00 0.03 3.99 -0.00 -1.95 0.13 116.57 119.73 1ywx h LYS 83 Ca -0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.16 1ywx h LYS 83 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1ywx h LYS 83 CO 0.57 0.00 -0.01 1.03 -0.00 0.00 0.00 179.45 181.04 1ywx h SER 84 N 0.00 -0.03 -0.69 7.07 0.87 -1.97 1.59 113.55 120.39 1ywx h SER 84 Ca 0.02 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1ywx h SER 84 Cb 0.67 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1ywx h SER 84 CO -0.00 0.44 0.37 0.58 -0.53 0.00 0.00 176.83 177.68 1ywx h VAL 85 N -0.51 1.22 -0.01 2.23 2.07 -1.16 -1.94 116.25 118.15 1ywx h VAL 85 Ca -0.00 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 66.80 1ywx h VAL 85 Cb 0.48 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1ywx h VAL 85 CO 0.01 0.24 -0.74 -0.07 0.02 0.00 0.00 177.57 177.03 1ywx h LEU 86 N 0.94 0.12 -0.85 2.57 3.38 -1.32 -3.16 115.31 117.00 1ywx h LEU 86 Ca 0.24 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1ywx h LEU 86 Cb 0.05 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 1ywx h LEU 86 CO -0.04 0.81 0.35 -0.33 0.09 0.00 0.00 178.44 179.33 1ywx h GLU 87 N 0.06 0.41 0.07 1.13 4.39 0.31 -1.77 114.58 119.18 1ywx h GLU 87 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ywx h GLU 87 Cb 1.31 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1ywx h GLU 87 CO 0.10 0.27 -0.23 0.87 -1.16 0.00 0.00 179.01 178.86 1ywx h LYS 88 N 0.42 -0.33 -2.08 2.33 6.56 -1.47 -1.76 116.57 120.24 1ywx h LYS 88 Ca 0.51 0.02 -0.35 0.00 -1.06 0.00 0.00 60.65 59.77 1ywx h LYS 88 Cb 0.89 0.07 -0.10 0.00 -0.57 0.00 0.00 32.23 32.53 1ywx h LYS 88 CO -0.49 -0.22 0.24 -1.71 -2.06 0.00 0.00 179.45 175.21 1ywx n ASN 89 N -3.76 5.98 -4.51 0.86 2.85 -0.72 -4.94 115.26 111.03 1ywx n ASN 89 Ca -0.04 -2.76 -0.31 0.00 -0.11 0.00 0.00 54.58 51.36 1ywx n ASN 89 Cb 0.18 -1.36 0.19 0.00 1.24 0.00 0.00 39.78 40.03 1ywx n ASN 89 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1ywx n LYS 90 N 1.98 -1.18 0.00 1.20 4.81 -0.66 -4.95 118.16 119.35 1ywx n LYS 90 Ca 0.48 -0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1ywx n LYS 90 Cb 0.73 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.64 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 -4.38 0.00 -2.53 3.15 2.08 -1.26 -4.79 119.36 111.62 1ywx n ILE 91 Ca 0.07 0.94 -0.24 0.00 0.56 0.00 0.00 62.75 64.08 1ywx n ILE 91 Cb 0.54 -1.74 0.11 0.00 -0.75 0.00 0.00 39.64 37.80 1ywx n ILE 91 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ywx s GLU 92 N -0.89 1.66 0.44 0.38 2.56 -1.26 -5.12 118.70 116.47 1ywx s GLU 92 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 54.97 53.98 1ywx s GLU 92 Cb 0.00 -2.30 -0.04 0.00 2.00 0.00 0.00 34.13 33.79 1ywx s GLU 92 CO 0.00 -1.47 0.04 -1.83 -0.56 0.00 0.00 175.26 171.43 1ywx s GLU 93 N -5.18 2.02 0.00 4.30 -1.05 -1.26 -5.09 118.70 112.43 1ywx s GLU 93 Ca 0.66 -2.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.25 1ywx s GLU 93 Cb -0.06 -1.26 0.00 0.00 -0.44 0.00 0.00 34.13 32.37 1ywx s GLU 93 CO 0.45 -0.30 0.00 -0.85 0.95 0.00 0.00 175.26 175.51 1ywx n GLU 94 N -1.05 1.78 0.00 -4.83 0.28 -1.26 -5.09 120.64 110.47 1ywx n GLU 94 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ywx n GLU 94 Cb 0.66 0.00 0.00 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 0.00 0.19 -1.84 0.00 -1.26 -5.08 120.51 109.52 1ywx n ALA 95 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ywx n ALA 95 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.47 -4.04 0.00 5.08 -2.04 -3.49 114.58 109.63 1ywx h GLU 96 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ywx h GLU 96 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ywx h GLU 96 CO 0.00 -0.31 -0.90 0.00 -1.00 0.00 0.00 179.01 176.79 1ywx n ALA 97 N -2.25 -2.10 0.00 3.43 0.00 -1.26 -5.04 120.51 113.30 1ywx n ALA 97 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ywx n ALA 97 Cb 0.19 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.23 0.00 -4.09 0.00 2.13 -1.26 -5.15 120.64 113.49 1ywx n GLU 98 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1ywx n GLU 98 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 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 -1.80 0.05 -0.02 6.31 -7.23 -1.26 -5.15 120.40 111.30 1ywx s VAL 99 Ca 0.00 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1ywx s VAL 99 Cb 0.00 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.73 1ywx s VAL 99 CO 0.00 -0.21 0.45 0.00 -0.31 0.00 0.00 175.10 175.03 1ywx s ALA 100 N -4.06 3.63 0.17 1.32 0.00 -1.26 -4.93 121.76 116.63 1ywx s ALA 100 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1ywx s ALA 100 Cb 0.05 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.68 1ywx s ALA 100 CO 0.06 0.35 0.00 -1.91 0.00 0.00 0.00 175.76 174.26 1ywx n GLU 101 N 2.24 -1.07 0.00 0.00 2.13 -1.26 -5.28 120.64 117.41 1ywx n GLU 101 Ca -0.12 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.51 1ywx n GLU 101 Cb 0.52 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.96 1ywx n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11