#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywx s ASP 2 N 0.00 -0.69 0.11 6.12 -1.08 -0.96 -5.01 116.67 115.16 1ywx s ASP 2 Ca 0.00 1.25 0.10 0.00 -0.52 0.00 0.00 52.55 53.38 1ywx s ASP 2 Cb 0.00 1.25 -0.04 0.00 -1.46 0.00 0.00 42.92 42.67 1ywx s ASP 2 CO 0.00 -0.29 -0.25 -0.63 0.52 0.00 0.00 175.17 174.52 1ywx s ILE 3 N 0.13 2.35 -0.05 4.11 1.01 -1.26 0.07 121.20 127.56 1ywx s ILE 3 Ca -0.02 -1.64 0.02 0.00 0.00 0.00 0.00 60.65 59.01 1ywx s ILE 3 Cb -0.04 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1ywx s ILE 3 CO 0.02 0.15 -0.07 -0.55 0.00 0.00 0.00 174.94 174.49 1ywx s SER 4 N -1.91 1.18 0.12 3.58 0.15 0.95 -4.94 113.70 112.83 1ywx s SER 4 Ca 0.14 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.31 1ywx s SER 4 Cb -0.10 -0.54 -0.06 0.00 -1.71 0.00 0.00 66.02 63.61 1ywx s SER 4 CO 0.06 -0.01 0.97 -0.63 1.20 0.00 0.00 173.24 174.83 1ywx s ILE 5 N 0.74 4.44 -0.13 6.45 -1.09 -1.26 0.62 121.20 130.96 1ywx s ILE 5 Ca -0.12 2.04 -0.12 0.00 -2.23 0.00 0.00 60.65 60.23 1ywx s ILE 5 Cb -0.14 -4.30 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 1ywx s ILE 5 CO 0.01 0.32 -0.23 -0.38 -1.23 0.00 0.00 174.94 173.43 1ywx n ILE 6 N 2.72 1.20 -4.32 2.92 2.08 -0.03 -4.93 119.36 119.00 1ywx n ILE 6 Ca 0.02 0.23 -0.17 0.00 0.56 0.00 0.00 62.75 63.39 1ywx n ILE 6 Cb 0.49 -2.21 -0.10 0.00 -0.75 0.00 0.00 39.64 37.07 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 -5.47 1.25 -0.33 4.38 0.01 -1.07 -5.03 113.70 107.46 1ywx s SER 7 Ca -0.19 -1.44 -0.01 0.00 1.31 0.00 0.00 55.95 55.61 1ywx s SER 7 Cb 0.03 0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.62 1ywx s SER 7 CO 0.28 -0.79 0.13 1.51 0.41 0.00 0.00 173.24 174.79 1ywx s ASP 8 N -3.33 3.76 0.09 2.44 -4.77 -1.26 -3.23 116.67 110.36 1ywx s ASP 8 Ca 0.37 -1.74 0.03 0.00 -3.30 0.00 0.00 52.55 47.91 1ywx s ASP 8 Cb 0.07 -0.71 -0.04 0.00 -1.09 0.00 0.00 42.92 41.14 1ywx s ASP 8 CO 0.15 -0.39 0.12 -0.13 0.70 0.00 0.00 175.17 175.62 1ywx s ARG 9 N 1.52 3.03 -0.06 2.11 1.81 -0.56 -5.04 118.95 121.76 1ywx s ARG 9 Ca 0.11 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.48 1ywx s ARG 9 Cb -0.18 -2.80 0.02 0.00 -0.45 0.00 0.00 34.95 31.54 1ywx s ARG 9 CO -0.22 0.57 -0.03 1.21 -0.68 0.00 0.00 175.30 176.14 1ywx s ASN 10 N -2.53 1.34 -0.57 0.23 2.47 -1.26 -2.72 114.94 111.91 1ywx s ASN 10 Ca 0.31 -0.14 -0.01 0.00 0.42 0.00 0.00 52.86 53.44 1ywx s ASN 10 Cb -0.12 -0.50 0.15 0.00 -1.45 0.00 0.00 41.25 39.32 1ywx s ASN 10 CO 0.24 -0.11 0.36 0.20 -3.72 0.00 0.00 177.10 174.07 1ywx s ASN 11 N 1.37 4.98 0.16 -4.21 0.01 -0.24 -4.91 114.94 112.11 1ywx s ASN 11 Ca -0.04 -2.80 -0.01 0.00 -0.71 0.00 0.00 52.86 49.31 1ywx s ASN 11 Cb -0.13 -1.79 -0.01 0.00 0.41 0.00 0.00 41.25 39.73 1ywx s ASN 11 CO -0.03 -0.35 1.38 1.55 -1.51 0.00 0.00 177.10 178.14 1ywx h PRO 12 N 7.00 0.33 -0.55 -0.60 0.13 -1.94 1.49 132.00 137.87 1ywx h PRO 12 Ca -0.04 -0.33 0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1ywx h PRO 12 Cb 0.95 0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.07 1ywx h PRO 12 CO 0.70 1.00 -0.57 -0.07 -0.23 0.00 0.00 178.00 178.83 1ywx h LEU 13 N 0.20 -1.94 -2.92 1.56 4.07 -1.90 0.84 115.31 115.22 1ywx h LEU 13 Ca -0.05 0.26 -0.16 0.00 0.08 0.00 0.00 57.88 58.01 1ywx h LEU 13 Cb 1.45 0.81 -0.10 0.00 1.08 0.00 0.00 40.66 43.90 1ywx h LEU 13 CO 0.14 -0.36 0.21 0.18 -1.08 0.00 0.00 178.44 177.52 1ywx n LEU 14 N -5.35 4.65 -4.15 1.67 4.77 -1.24 -4.88 117.00 112.47 1ywx n LEU 14 Ca -0.02 -2.41 -0.29 0.00 -0.03 0.00 0.00 56.01 53.26 1ywx n LEU 14 Cb 0.32 -0.66 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1ywx n LEU 14 CO -0.03 0.66 -0.42 0.00 -1.33 0.00 0.00 177.39 176.27 1ywx n GLN 15 N -0.07 -0.94 -4.43 3.23 6.02 0.29 -4.89 117.38 116.60 1ywx n GLN 15 Ca 0.27 0.08 -0.21 0.00 -0.01 0.00 0.00 57.00 57.13 1ywx n GLN 15 Cb 1.04 -3.28 -0.10 0.00 1.02 0.00 0.00 30.24 28.92 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 -6.95 1.68 -0.04 -1.09 0.52 0.51 -3.20 118.95 110.37 1ywx s ARG 16 Ca 0.04 -1.96 -0.01 0.00 -0.52 0.00 0.00 55.73 53.28 1ywx s ARG 16 Cb -0.02 -0.57 0.03 0.00 0.52 0.00 0.00 34.95 34.91 1ywx s ARG 16 CO 0.90 -0.33 0.03 0.50 0.02 0.00 0.00 175.30 176.42 1ywx s ARG 17 N -3.86 0.16 -0.25 3.54 3.52 0.00 -1.08 118.95 120.98 1ywx s ARG 17 Ca 0.33 0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 56.13 1ywx s ARG 17 Cb 0.06 -0.53 0.03 0.00 -1.56 0.00 0.00 34.95 32.95 1ywx s ARG 17 CO 0.15 -0.24 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.12 1ywx s GLU 18 N 1.59 2.74 -0.14 5.12 2.02 -1.10 -0.46 118.70 128.47 1ywx s GLU 18 Ca -0.02 -1.04 0.01 0.00 0.02 0.00 0.00 54.97 53.94 1ywx s GLU 18 Cb -0.13 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.17 1ywx s GLU 18 CO -0.03 -0.43 -0.15 0.42 0.02 0.00 0.00 175.26 175.09 1ywx s ILE 19 N 1.29 1.59 -0.04 -1.63 1.01 0.63 -1.50 121.20 122.55 1ywx s ILE 19 Ca -0.01 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 1ywx s ILE 19 Cb -0.17 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1ywx s ILE 19 CO -0.05 0.46 0.49 -0.75 0.00 0.00 0.00 174.94 175.09 1ywx s LYS 20 N 1.28 4.21 0.35 2.79 2.47 -1.20 -0.43 119.74 129.20 1ywx s LYS 20 Ca 0.00 0.53 0.00 0.00 -1.56 0.00 0.00 55.97 54.95 1ywx s LYS 20 Cb -0.14 -3.33 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1ywx s LYS 20 CO -0.07 0.40 0.44 1.97 0.16 0.00 0.00 175.35 178.26 1ywx n PHE 21 N 2.74 -1.31 -4.16 4.03 1.16 -0.98 -0.85 117.46 118.09 1ywx n PHE 21 Ca -0.09 -2.45 -0.10 0.00 -1.87 0.00 0.00 57.45 52.93 1ywx n PHE 21 Cb 0.52 0.50 -0.10 0.00 -1.61 0.00 0.00 39.48 38.78 1ywx n PHE 21 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1ywx s THR 22 N -2.93 0.10 -0.05 1.97 2.01 0.20 -2.53 115.64 114.42 1ywx s THR 22 Ca 0.31 -1.93 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1ywx s THR 22 Cb -0.00 -2.12 0.03 0.00 0.01 0.00 0.00 72.50 70.42 1ywx s THR 22 CO 0.22 -0.39 0.12 0.54 -0.69 0.00 0.00 174.62 174.42 1ywx s VAL 23 N -4.05 -0.03 -0.09 3.82 0.11 0.44 -0.03 120.40 120.56 1ywx s VAL 23 Ca 0.26 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 1ywx s VAL 23 Cb 0.07 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.72 1ywx s VAL 23 CO 0.03 0.05 -0.23 -0.55 -3.33 0.00 0.00 175.10 171.07 1ywx s SER 24 N 0.73 3.24 -0.25 3.54 0.15 0.11 0.12 113.70 121.34 1ywx s SER 24 Ca -0.06 -0.50 -0.34 0.00 0.70 0.00 0.00 55.95 55.76 1ywx s SER 24 Cb -0.07 -1.21 0.16 0.00 -1.71 0.00 0.00 66.02 63.18 1ywx s SER 24 CO -0.03 0.20 1.29 0.72 1.20 0.00 0.00 173.24 176.62 1ywx s PHE 25 N 0.12 -0.08 -0.92 3.44 -0.71 -0.72 -2.27 117.98 116.84 1ywx s PHE 25 Ca -0.11 0.09 -0.05 0.00 -1.04 0.00 0.00 56.93 55.82 1ywx s PHE 25 Cb -0.16 0.50 0.23 0.00 -1.21 0.00 0.00 43.02 42.38 1ywx s PHE 25 CO 0.06 -0.11 0.84 0.16 -1.34 0.00 0.00 175.22 174.84 1ywx s ASP 26 N -1.67 6.40 0.00 1.98 1.47 -1.26 -4.47 116.67 119.12 1ywx s ASP 26 Ca 0.09 -3.48 0.00 0.00 1.18 0.00 0.00 52.55 50.34 1ywx s ASP 26 Cb -0.01 -2.03 0.00 0.00 -0.34 0.00 0.00 42.92 40.54 1ywx s ASP 26 CO -0.05 -0.28 0.00 0.00 0.68 0.00 0.00 175.17 175.53 1ywx n ALA 27 N 2.75 0.00 -2.50 2.11 0.00 -1.26 -5.12 120.51 116.48 1ywx n ALA 27 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.32 1ywx n ALA 27 Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.70 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 2.49 0.45 0.00 0.00 -1.26 -5.10 121.76 117.34 1ywx s ALA 28 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.70 1ywx s ALA 28 Cb 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 1ywx s ALA 28 CO 0.00 0.51 1.24 2.41 0.00 0.00 0.00 175.76 179.92 1ywx n THR 29 N 2.49 2.79 0.00 0.00 -1.04 -1.26 -4.99 114.28 112.27 1ywx n THR 29 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 1ywx n THR 29 Cb 0.52 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1ywx n THR 29 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ywx n PRO 30 N -0.16 0.00 -4.11 -2.82 -0.04 -1.26 -5.08 135.00 121.54 1ywx n PRO 30 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1ywx n PRO 30 Cb 0.41 -0.12 -0.05 0.00 -0.04 0.00 0.00 33.50 33.70 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 0.95 0.00 3.54 0.01 -1.26 -5.02 113.70 110.67 1ywx s SER 31 Ca 0.00 -1.50 -0.25 0.00 1.31 0.00 0.00 55.95 55.52 1ywx s SER 31 Cb 0.00 0.65 -0.17 0.00 0.21 0.00 0.00 66.02 66.71 1ywx s SER 31 CO 0.00 -1.26 1.23 0.40 0.41 0.00 0.00 173.24 174.01 1ywx h ILE 32 N 2.13 0.78 -0.58 1.44 2.04 -1.97 -0.37 117.51 120.97 1ywx h ILE 32 Ca -0.28 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 64.93 1ywx h ILE 32 Cb 1.24 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1ywx h ILE 32 CO 0.39 0.14 0.36 0.11 0.00 0.00 0.00 178.15 179.14 1ywx h LYS 33 N -0.71 0.70 -0.33 2.37 6.56 -1.97 0.65 116.57 123.83 1ywx h LYS 33 Ca -0.04 -0.04 0.04 0.00 -1.06 0.00 0.00 60.65 59.55 1ywx h LYS 33 Cb 0.49 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1ywx h LYS 33 CO 0.06 0.46 0.23 -0.44 -2.06 0.00 0.00 179.45 177.70 1ywx h ASP 34 N 0.72 0.27 0.19 0.86 3.32 -1.95 0.21 116.42 120.05 1ywx h ASP 34 Ca 0.23 -0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.96 1ywx h ASP 34 Cb -0.01 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 39.51 1ywx h ASP 34 CO -0.08 0.18 -1.35 0.58 -1.72 0.00 0.00 179.24 176.85 1ywx h VAL 35 N 0.31 1.29 0.00 -1.35 2.07 0.76 -3.16 116.25 116.17 1ywx h VAL 35 Ca 0.14 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 1ywx h VAL 35 Cb 0.17 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 1ywx h VAL 35 CO -0.03 0.78 -0.01 0.07 0.02 0.00 0.00 177.57 178.40 1ywx h LYS 36 N 0.22 0.00 0.34 1.57 2.10 0.15 0.23 116.57 121.19 1ywx h LYS 36 Ca -0.22 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.42 1ywx h LYS 36 Cb 2.03 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.35 1ywx h LYS 36 CO 0.26 0.01 -0.30 0.52 -2.00 0.00 0.00 179.45 177.93 1ywx h MET 37 N 0.00 -0.61 -0.18 0.07 2.86 -0.97 1.50 114.93 117.59 1ywx h MET 37 Ca -0.00 0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 1ywx h MET 37 Cb 0.02 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1ywx h MET 37 CO 0.00 -0.41 -0.52 1.57 1.06 0.00 0.00 176.91 178.62 1ywx h LYS 38 N -0.63 0.51 -0.09 1.72 -0.00 -1.62 -2.64 116.57 113.82 1ywx h LYS 38 Ca -0.04 -0.31 -0.03 0.00 -0.00 0.00 0.00 60.65 60.27 1ywx h LYS 38 Cb 0.54 0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 32.79 1ywx h LYS 38 CO -0.01 0.91 -0.08 -0.07 -0.00 0.00 0.00 179.45 180.19 1ywx h LEU 39 N 0.40 0.12 -0.71 7.07 3.38 -0.41 0.68 115.31 125.84 1ywx h LEU 39 Ca 0.01 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ywx h LEU 39 Cb 1.04 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1ywx h LEU 39 CO 0.10 0.23 0.19 0.58 0.09 0.00 0.00 178.44 179.63 1ywx h VAL 40 N 0.13 1.26 -0.02 1.22 2.07 0.25 1.04 116.25 122.20 1ywx h VAL 40 Ca 0.03 -0.94 -0.17 0.00 0.82 0.00 0.00 66.70 66.44 1ywx h VAL 40 Cb 0.24 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ywx h VAL 40 CO 0.01 0.36 -0.74 0.00 0.02 0.00 0.00 177.57 177.23 1ywx h ALA 41 N 1.09 0.72 0.05 1.67 0.00 -1.19 1.15 119.26 122.75 1ywx h ALA 41 Ca 0.23 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ywx h ALA 41 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ywx h ALA 41 CO -0.00 0.86 -0.02 0.28 0.00 0.00 0.00 179.25 180.36 1ywx h VAL 42 N 0.09 1.32 -0.12 0.00 2.07 -0.34 -3.27 116.25 116.01 1ywx h VAL 42 Ca -0.02 -1.40 -0.17 0.00 0.82 0.00 0.00 66.70 65.93 1ywx h VAL 42 Cb 1.31 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1ywx h VAL 42 CO 0.11 0.34 -0.65 -0.07 0.02 0.00 0.00 177.57 177.32 1ywx h LEU 43 N -0.71 0.52 -2.36 2.57 3.38 0.11 -3.49 115.31 115.33 1ywx h LEU 43 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1ywx h LEU 43 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ywx h LEU 43 CO 0.01 1.03 -0.23 -3.20 0.09 0.00 0.00 178.44 176.14 1ywx n ASN 44 N -3.89 -7.60 -1.09 -0.43 5.15 0.40 -5.04 115.26 102.75 1ywx n ASN 44 Ca -0.04 0.21 -0.01 0.00 -0.60 0.00 0.00 54.58 54.15 1ywx n ASN 44 Cb 0.66 -5.15 0.00 0.00 -0.53 0.00 0.00 39.78 34.76 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 -1.05 -0.07 -2.11 5.20 0.00 -1.20 -5.06 120.51 116.22 1ywx n ALA 45 Ca 0.05 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 1ywx n ALA 45 Cb 0.47 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.11 5.99 0.50 0.00 2.47 -1.26 -4.83 114.94 116.70 1ywx s ASN 46 Ca 0.01 1.09 0.27 0.00 0.42 0.00 0.00 52.86 54.64 1ywx s ASN 46 Cb -0.00 -2.53 1.29 0.00 -1.45 0.00 0.00 41.25 38.56 1ywx s ASN 46 CO 0.01 -1.67 1.99 0.07 -3.72 0.00 0.00 177.10 173.78 1ywx h LYS 47 N 12.32 0.00 0.35 0.43 2.10 -1.93 -2.91 116.57 126.93 1ywx h LYS 47 Ca -0.31 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 1ywx h LYS 47 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1ywx h LYS 47 CO 1.06 0.15 -0.20 1.96 -2.00 0.00 0.00 179.45 180.42 1ywx h GLN 48 N 0.00 -0.50 -2.09 0.07 4.20 -2.01 -3.03 115.11 111.76 1ywx h GLN 48 Ca -0.00 0.03 -0.75 0.00 0.06 0.00 0.00 58.65 58.00 1ywx h GLN 48 Cb 0.47 0.11 -0.30 0.00 0.30 0.00 0.00 27.48 28.06 1ywx h GLN 48 CO 0.02 -0.33 0.66 1.33 -0.67 0.00 0.00 178.83 179.84 1ywx n VAL 49 N -5.33 4.45 -4.14 -0.54 0.24 -1.11 -4.95 118.33 106.95 1ywx n VAL 49 Ca -0.10 -5.22 -0.16 0.00 -2.04 0.00 0.00 64.34 56.82 1ywx n VAL 49 Cb 0.24 -1.39 -0.14 0.00 -1.47 0.00 0.00 33.84 31.08 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 -4.06 2.02 0.27 1.34 0.20 -1.14 -3.46 118.68 113.85 1ywx s LEU 50 Ca 0.46 -0.12 -0.16 0.00 0.69 0.00 0.00 54.13 55.00 1ywx s LEU 50 Cb 0.31 -0.25 0.01 0.00 -0.43 0.00 0.00 46.19 45.83 1ywx s LEU 50 CO -0.24 0.05 0.58 -0.69 -0.29 0.00 0.00 176.35 175.76 1ywx s VAL 51 N -0.20 0.00 -0.03 1.68 1.01 -1.15 -4.97 120.40 116.74 1ywx s VAL 51 Ca 0.01 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.76 1ywx s VAL 51 Cb -0.02 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1ywx s VAL 51 CO -0.00 0.00 -0.05 0.54 0.00 0.00 0.00 175.10 175.59 1ywx s VAL 52 N -3.84 3.82 -0.05 2.92 0.11 -1.26 -2.62 120.40 119.47 1ywx s VAL 52 Ca 0.18 -0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 58.47 1ywx s VAL 52 Cb -0.03 -2.63 -0.11 0.00 -1.53 0.00 0.00 36.38 32.08 1ywx s VAL 52 CO 0.09 0.48 0.66 0.44 -3.33 0.00 0.00 175.10 173.43 1ywx h ASP 53 N 4.78 -0.27 -5.35 3.54 5.19 -0.90 -3.46 116.42 119.96 1ywx h ASP 53 Ca -0.49 -0.18 0.29 0.00 -0.62 0.00 0.00 57.03 56.03 1ywx h ASP 53 Cb 1.17 0.07 -0.13 0.00 0.18 0.00 0.00 39.33 40.62 1ywx h ASP 53 CO 0.54 0.24 0.77 -0.89 -3.12 0.00 0.00 179.24 176.79 1ywx s THR 54 N -3.10 0.00 0.21 0.35 2.01 -1.15 -4.99 115.64 108.97 1ywx s THR 54 Ca -0.09 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1ywx s THR 54 Cb 0.00 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1ywx s THR 54 CO 0.33 0.00 0.22 -0.22 -0.69 0.00 0.00 174.62 174.26 1ywx s LEU 55 N -2.79 0.93 -0.30 4.42 0.20 -1.26 -0.49 118.68 119.39 1ywx s LEU 55 Ca 0.13 -1.27 -0.10 0.00 0.69 0.00 0.00 54.13 53.58 1ywx s LEU 55 Cb 0.03 0.75 0.15 0.00 -0.43 0.00 0.00 46.19 46.68 1ywx s LEU 55 CO -0.03 -0.92 0.71 -1.81 -0.29 0.00 0.00 176.35 174.00 1ywx s ASP 56 N -3.12 -1.08 -0.13 3.68 1.11 0.34 -4.91 116.67 112.56 1ywx s ASP 56 Ca 0.34 1.33 -0.29 0.00 0.18 0.00 0.00 52.55 54.11 1ywx s ASP 56 Cb 0.05 2.16 -0.01 0.00 1.07 0.00 0.00 42.92 46.19 1ywx s ASP 56 CO 0.11 -0.20 1.08 -1.58 1.18 0.00 0.00 175.17 175.76 1ywx s GLN 57 N 2.82 4.35 0.27 8.23 0.74 -1.26 0.02 119.66 134.83 1ywx s GLN 57 Ca -0.02 1.47 -0.30 0.00 0.05 0.00 0.00 55.36 56.57 1ywx s GLN 57 Cb -0.11 -3.59 -0.10 0.00 1.10 0.00 0.00 33.01 30.30 1ywx s GLN 57 CO -0.19 -0.46 1.48 0.42 -0.55 0.00 0.00 175.29 175.99 1ywx s ILE 58 N 2.48 2.47 -0.13 -2.34 1.01 0.37 -4.91 121.20 120.15 1ywx s ILE 58 Ca 0.50 0.40 -0.26 0.00 0.00 0.00 0.00 60.65 61.28 1ywx s ILE 58 Cb -0.19 -3.26 -0.26 0.00 0.01 0.00 0.00 42.46 38.76 1ywx s ILE 58 CO 0.16 0.07 0.73 0.15 0.00 0.00 0.00 174.94 176.04 1ywx h PHE 59 N 4.83 0.14 -0.60 3.97 3.57 -1.94 -3.36 116.94 123.54 1ywx h PHE 59 Ca -0.47 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 60.99 1ywx h PHE 59 Cb 1.22 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.88 1ywx h PHE 59 CO 0.59 1.14 -0.36 0.41 -2.23 0.00 0.00 178.31 177.87 1ywx n GLY 60 N 1.61 -2.45 0.00 2.40 0.00 -1.26 -4.70 105.19 100.79 1ywx n GLY 60 Ca -0.14 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -4.40 3.77 -2.03 1.61 2.85 -1.26 -5.03 118.16 113.67 1ywx n LYS 61 Ca 0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.97 1ywx n LYS 61 Cb 0.16 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.56 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 5.85 -4.98 -5.58 4.77 -1.26 -4.74 117.00 111.06 1ywx n LEU 62 Ca 0.00 -4.84 -0.20 0.00 -0.03 0.00 0.00 56.01 50.95 1ywx n LEU 62 Cb 0.00 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.48 1ywx n LEU 62 CO 0.00 1.97 0.18 -0.70 -1.33 0.00 0.00 177.39 177.51 1ywx s GLU 63 N -3.71 2.53 -0.24 3.23 -6.30 -1.26 -1.75 118.70 111.20 1ywx s GLU 63 Ca 0.53 -1.52 -0.18 0.00 -2.50 0.00 0.00 54.97 51.30 1ywx s GLU 63 Cb 0.43 -2.58 0.07 0.00 0.00 0.00 0.00 34.13 32.05 1ywx s GLU 63 CO -0.13 -0.50 0.62 0.00 0.02 0.00 0.00 175.26 175.27 1ywx s ALA 64 N -2.53 -1.62 0.01 6.30 0.00 0.31 0.14 121.76 124.37 1ywx s ALA 64 Ca 0.54 2.01 0.07 0.00 0.00 0.00 0.00 51.96 54.57 1ywx s ALA 64 Cb -0.06 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 1ywx s ALA 64 CO 0.33 -0.33 -0.21 -2.00 0.00 0.00 0.00 175.76 173.55 1ywx s GLU 65 N 1.00 1.58 0.23 0.00 2.12 0.10 0.17 118.70 123.90 1ywx s GLU 65 Ca -0.05 -0.83 -0.22 0.00 0.36 0.00 0.00 54.97 54.23 1ywx s GLU 65 Cb -0.05 -1.59 0.04 0.00 0.26 0.00 0.00 34.13 32.78 1ywx s GLU 65 CO -0.09 0.43 0.71 0.20 -0.54 0.00 0.00 175.26 175.96 1ywx s GLY 66 N -0.76 -0.25 -0.11 -1.50 0.00 -1.05 0.13 107.32 103.77 1ywx s GLY 66 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.78 1ywx s GLY 66 CO 0.00 -0.01 -0.17 -0.47 0.00 0.00 0.00 173.10 172.46 1ywx s TYR 67 N -3.82 2.71 -0.20 1.90 6.04 0.36 -2.32 117.35 122.03 1ywx s TYR 67 Ca 0.08 -0.68 -0.06 0.00 0.04 0.00 0.00 57.07 56.45 1ywx s TYR 67 Cb -0.04 -1.77 -0.03 0.00 -1.04 0.00 0.00 41.96 39.08 1ywx s TYR 67 CO 0.01 -0.21 0.03 0.00 -1.54 0.00 0.00 175.55 173.84 1ywx s ALA 68 N 0.18 3.18 0.08 3.97 0.00 0.43 -0.22 121.76 129.38 1ywx s ALA 68 Ca -0.09 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.04 1ywx s ALA 68 Cb -0.16 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1ywx s ALA 68 CO 0.06 -0.07 -0.25 0.21 0.00 0.00 0.00 175.76 175.71 1ywx s LYS 69 N 0.84 1.53 -0.04 0.00 2.36 -1.08 -0.27 119.74 123.09 1ywx s LYS 69 Ca 0.02 -1.19 0.03 0.00 -2.55 0.00 0.00 55.97 52.28 1ywx s LYS 69 Cb -0.14 -1.83 0.01 0.00 -1.05 0.00 0.00 37.83 34.81 1ywx s LYS 69 CO 0.02 0.45 -0.12 0.42 1.55 0.00 0.00 175.35 177.68 1ywx s ILE 70 N -0.94 1.04 0.70 5.43 1.01 0.39 -2.95 121.20 125.88 1ywx s ILE 70 Ca 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1ywx s ILE 70 Cb -0.10 -0.93 0.15 0.00 0.01 0.00 0.00 42.46 41.59 1ywx s ILE 70 CO 0.04 0.32 0.96 -1.22 0.00 0.00 0.00 174.94 175.03 1ywx n TYR 71 N 3.44 -3.26 -0.06 3.97 4.02 -1.22 -0.82 117.16 123.22 1ywx n TYR 71 Ca -0.20 -1.41 -0.12 0.00 -0.01 0.00 0.00 57.90 56.16 1ywx n TYR 71 Cb 0.53 -0.71 -0.05 0.00 -0.02 0.00 0.00 39.34 39.09 1ywx n TYR 71 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1ywx n ASN 72 N -3.14 1.77 -3.64 7.72 3.02 -1.20 -4.86 115.26 114.94 1ywx n ASN 72 Ca 0.15 0.07 -0.07 0.00 -0.03 0.00 0.00 54.58 54.70 1ywx n ASN 72 Cb 0.52 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 39.31 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 -5.80 -0.94 0.64 6.41 1.47 -1.26 -5.00 116.67 112.19 1ywx s ASP 73 Ca -0.18 1.49 0.25 0.00 1.18 0.00 0.00 52.55 55.29 1ywx s ASP 73 Cb 0.06 1.40 1.28 0.00 -0.34 0.00 0.00 42.92 45.32 1ywx s ASP 73 CO 0.25 -0.23 1.72 -0.33 0.68 0.00 0.00 175.17 177.26 1ywx h GLU 74 N 6.98 0.00 0.04 2.11 5.08 -1.97 0.29 114.58 127.11 1ywx h GLU 74 Ca -0.30 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1ywx h GLU 74 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ywx h GLU 74 CO 0.16 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 179.02 1ywx h LYS 75 N 0.00 -0.05 0.05 2.33 1.79 -1.98 1.00 116.57 119.71 1ywx h LYS 75 Ca 0.11 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1ywx h LYS 75 Cb 1.23 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1ywx h LYS 75 CO -0.00 -0.02 -0.02 0.00 -1.08 0.00 0.00 179.45 178.33 1ywx h ALA 76 N 0.91 -0.06 -0.60 3.86 0.00 -0.88 -3.28 119.26 119.20 1ywx h ALA 76 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.71 1ywx h ALA 76 Cb 0.05 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1ywx h ALA 76 CO 0.01 -0.20 0.15 1.98 0.00 0.00 0.00 179.25 181.18 1ywx h MET 77 N -0.74 0.28 -1.28 0.00 1.85 -1.24 1.61 114.93 115.42 1ywx h MET 77 Ca -0.01 -0.02 0.37 0.00 -0.61 0.00 0.00 59.70 59.44 1ywx h MET 77 Cb 0.63 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.54 1ywx h MET 77 CO 0.01 0.18 0.91 0.00 -0.40 0.00 0.00 176.91 177.62 1ywx h ALA 78 N 1.47 3.15 0.00 0.39 0.00 0.99 0.67 119.26 125.92 1ywx h ALA 78 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1ywx h ALA 78 Cb 0.45 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ywx h ALA 78 CO -0.38 -1.53 -1.27 2.41 0.00 0.00 0.00 179.25 178.48 1ywx n THR 79 N -4.19 1.50 -0.13 0.00 -1.04 0.10 -4.66 114.28 105.87 1ywx n THR 79 Ca 0.28 0.05 -0.03 0.00 -2.04 0.00 0.00 64.05 62.31 1ywx n THR 79 Cb 1.32 -2.27 -0.03 0.00 -1.82 0.00 0.00 70.33 67.53 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 -4.42 -0.21 -1.83 12.58 5.41 0.51 -4.55 119.36 126.85 1ywx n ILE 80 Ca -0.21 1.76 -0.14 0.00 1.00 0.00 0.00 62.75 65.16 1ywx n ILE 80 Cb 0.58 -2.28 0.09 0.00 -0.71 0.00 0.00 39.64 37.33 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 -3.68 -0.34 -4.24 0.38 -0.58 0.19 -5.04 120.64 107.34 1ywx n GLU 81 Ca 0.01 -1.19 -0.22 0.00 -0.42 0.00 0.00 57.16 55.33 1ywx n GLU 81 Cb 0.08 -0.57 -0.07 0.00 -0.57 0.00 0.00 31.44 30.30 1ywx n GLU 81 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ywx n THR 82 N -2.66 0.00 0.10 2.62 -2.24 -1.26 -4.72 114.28 106.12 1ywx n THR 82 Ca 0.09 -2.29 0.20 0.00 -2.27 0.00 0.00 64.05 59.78 1ywx n THR 82 Cb 0.30 0.92 0.75 0.00 -2.10 0.00 0.00 70.33 70.21 1ywx n THR 82 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ywx h LYS 83 N 0.00 0.00 -0.13 -0.78 -0.00 -1.95 0.89 116.57 114.59 1ywx h LYS 83 Ca -0.28 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.41 1ywx h LYS 83 Cb 1.16 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.35 1ywx h LYS 83 CO 0.43 0.00 -0.09 1.03 -0.00 0.00 0.00 179.45 180.83 1ywx h SER 84 N 0.00 -0.28 0.00 7.07 0.87 -1.99 1.11 113.55 120.33 1ywx h SER 84 Ca 0.19 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1ywx h SER 84 Cb 1.04 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1ywx h SER 84 CO -0.00 -0.12 -0.00 0.58 -0.53 0.00 0.00 176.83 176.76 1ywx h VAL 85 N -0.09 1.71 -0.43 2.23 2.07 -1.33 -3.20 116.25 117.22 1ywx h VAL 85 Ca 0.08 -2.14 0.12 0.00 0.82 0.00 0.00 66.70 65.58 1ywx h VAL 85 Cb 0.21 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1ywx h VAL 85 CO -0.19 0.55 0.44 -0.07 0.02 0.00 0.00 177.57 178.32 1ywx h LEU 86 N -0.92 0.00 -0.72 2.57 4.07 -0.88 0.16 115.31 119.59 1ywx h LEU 86 Ca -0.00 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.04 1ywx h LEU 86 Cb 0.91 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.58 1ywx h LEU 86 CO 0.00 0.00 0.39 -0.33 -1.08 0.00 0.00 178.44 177.42 1ywx h GLU 87 N 0.00 0.67 0.04 1.13 4.39 0.13 -2.92 114.58 118.01 1ywx h GLU 87 Ca 0.20 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ywx h GLU 87 Cb 1.08 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1ywx h GLU 87 CO -0.00 0.44 -0.08 0.87 -1.16 0.00 0.00 179.01 179.08 1ywx h LYS 88 N 0.69 -0.13 -6.47 2.33 1.57 -0.80 -3.37 116.57 110.39 1ywx h LYS 88 Ca 0.34 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.56 1ywx h LYS 88 Cb 0.28 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 1ywx h LYS 88 CO -0.22 -0.08 0.99 1.21 -0.57 0.00 0.00 179.45 180.77 1ywx s ASN 89 N -2.74 6.56 1.01 0.86 2.47 -1.10 -4.98 114.94 117.03 1ywx s ASN 89 Ca -0.03 0.94 -0.20 0.00 0.42 0.00 0.00 52.86 54.00 1ywx s ASN 89 Cb 0.01 -2.54 -0.09 0.00 -1.45 0.00 0.00 41.25 37.18 1ywx s ASN 89 CO 0.10 -1.22 -0.69 0.29 -3.72 0.00 0.00 177.10 171.85 1ywx n LYS 90 N 7.65 -0.34 0.00 0.43 5.02 -1.26 -4.83 118.16 124.83 1ywx n LYS 90 Ca 0.15 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ywx n LYS 90 Cb 0.47 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 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 -3.35 0.00 -1.61 -0.18 -0.00 -1.26 -4.94 119.36 108.02 1ywx n ILE 91 Ca -0.00 0.57 0.00 0.00 -0.00 0.00 0.00 62.75 63.32 1ywx n ILE 91 Cb 0.63 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.19 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 -0.13 -4.20 -4.19 0.38 4.07 -1.26 -5.01 120.64 110.29 1ywx n GLU 92 Ca 0.00 3.26 -0.28 0.00 -0.06 0.00 0.00 57.16 60.08 1ywx n GLU 92 Cb 0.00 -4.08 -0.04 0.00 -0.06 0.00 0.00 31.44 27.26 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 -5.44 2.24 0.00 5.31 -1.05 -1.26 -5.15 118.70 113.34 1ywx s GLU 93 Ca 0.00 -2.12 0.00 0.00 -0.15 0.00 0.00 54.97 52.70 1ywx s GLU 93 Cb 0.00 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 1ywx s GLU 93 CO 0.00 -0.48 0.00 -0.85 0.95 0.00 0.00 175.26 174.88 1ywx n GLU 94 N -1.54 1.64 0.00 -4.83 0.28 -1.26 -5.09 120.64 109.83 1ywx n GLU 94 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 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 0.18 -1.84 0.00 -1.26 -5.08 120.51 109.51 1ywx n ALA 95 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ywx n ALA 95 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.52 -1.95 0.00 5.08 -2.06 -3.48 114.58 111.64 1ywx h GLU 96 Ca 0.00 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.62 1ywx h GLU 96 Cb 0.00 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 29.25 1ywx h GLU 96 CO 0.00 -0.35 0.63 0.00 -1.00 0.00 0.00 179.01 178.29 1ywx s ALA 97 N -4.48 -1.91 0.28 3.43 0.00 -1.26 -5.09 121.76 112.73 1ywx s ALA 97 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1ywx s ALA 97 Cb 0.02 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1ywx s ALA 97 CO 0.29 -0.93 0.00 -1.91 0.00 0.00 0.00 175.76 173.21 1ywx n GLU 98 N -0.39 0.00 -2.79 0.00 2.13 -1.26 -5.12 120.64 113.21 1ywx n GLU 98 Ca -0.06 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.74 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 -3.23 -3.82 0.32 6.31 0.24 -1.26 -4.85 118.33 112.04 1ywx n VAL 99 Ca 0.00 0.71 -0.16 0.00 -2.04 0.00 0.00 64.34 62.85 1ywx n VAL 99 Cb 0.00 -3.33 -0.08 0.00 -1.47 0.00 0.00 33.84 28.96 1ywx n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ywx h ALA 100 N 4.70 -1.17 -3.25 2.33 0.00 -2.08 -3.48 119.26 116.30 1ywx h ALA 100 Ca -0.11 -0.19 0.35 0.00 0.00 0.00 0.00 54.91 54.95 1ywx h ALA 100 Cb 0.26 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 1ywx h ALA 100 CO 0.00 -1.16 -0.99 -1.91 0.00 0.00 0.00 179.25 175.20 1ywx n GLU 101 N -5.04 -3.05 -0.01 0.00 2.13 -1.26 -5.35 120.64 108.06 1ywx n GLU 101 Ca -0.12 2.36 0.00 0.00 0.66 0.00 0.00 57.16 60.06 1ywx n GLU 101 Cb 0.41 -3.61 0.00 0.00 0.27 0.00 0.00 31.44 28.51 1ywx n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11