#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wa8 n ASN 5 N 0.00 -0.52 -3.55 1.09 3.02 -1.26 -4.96 115.26 109.08 2wa8 n ASN 5 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 2wa8 n ASN 5 Cb 0.00 -1.10 -0.14 0.00 -0.61 0.00 0.00 39.78 37.93 2wa8 n ASN 5 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wa8 s ASP 6 N -2.52 1.41 0.10 6.41 2.15 -1.26 -5.13 116.67 117.83 2wa8 s ASP 6 Ca 0.00 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.83 2wa8 s ASP 6 Cb 0.00 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.85 2wa8 s ASP 6 CO 0.00 -0.31 -0.07 -1.66 -0.17 0.00 0.00 175.17 172.95 2wa8 s TRP 7 N 2.29 0.92 0.00 -5.34 1.48 -1.26 -5.04 118.94 111.99 2wa8 s TRP 7 Ca 0.05 -0.83 0.00 0.00 -1.06 0.00 0.00 56.10 54.27 2wa8 s TRP 7 Cb -0.15 -0.52 0.00 0.00 -1.16 0.00 0.00 33.47 31.64 2wa8 s TRP 7 CO -0.10 -0.11 0.00 1.28 -4.06 0.00 0.00 176.95 173.96 2wa8 n LEU 8 N 0.18 0.00 -2.59 -4.66 7.99 -1.26 -5.07 117.00 111.59 2wa8 n LEU 8 Ca -0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 55.86 2wa8 n LEU 8 Cb 0.60 0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.97 2wa8 n LEU 8 CO 0.29 0.00 0.23 0.47 -1.51 0.00 0.00 177.39 176.87 2wa8 n ASP 9 N -0.82 -6.12 -4.79 -1.43 9.92 -1.26 -4.97 116.55 107.09 2wa8 n ASP 9 Ca 0.00 -0.01 -0.31 0.00 -0.53 0.00 0.00 54.79 53.94 2wa8 n ASP 9 Cb 0.00 -4.06 0.08 0.00 -0.64 0.00 0.00 41.12 36.50 2wa8 n ASP 9 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2wa8 s PHE 10 N -2.93 2.77 0.59 1.24 0.40 -1.26 -4.98 117.98 113.82 2wa8 s PHE 10 Ca 0.01 1.51 -0.13 0.00 -0.60 0.00 0.00 56.93 57.72 2wa8 s PHE 10 Cb -0.00 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 2wa8 s PHE 10 CO 0.53 -1.59 1.03 0.34 0.70 0.00 0.00 175.22 176.22 2wa8 s ASP 11 N -3.54 6.14 -0.29 1.36 -1.08 -1.26 -5.09 116.67 112.92 2wa8 s ASP 11 Ca 0.60 1.56 -0.18 0.00 -0.52 0.00 0.00 52.55 54.02 2wa8 s ASP 11 Cb -0.16 -2.50 0.12 0.00 -1.46 0.00 0.00 42.92 38.93 2wa8 s ASP 11 CO 0.56 -0.93 0.90 -1.58 0.52 0.00 0.00 175.17 174.64 2wa8 s GLN 12 N -4.62 0.50 0.00 4.34 0.74 -1.26 -5.08 119.66 114.27 2wa8 s GLN 12 Ca 0.58 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.79 2wa8 s GLN 12 Cb -0.12 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.12 2wa8 s GLN 12 CO 0.44 -0.10 0.00 -0.11 -0.55 0.00 0.00 175.29 174.98 2wa8 n LEU 13 N 3.60 0.00 -4.17 3.68 -0.00 -1.26 -5.16 117.00 113.69 2wa8 n LEU 13 Ca -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.73 2wa8 n LEU 13 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.90 2wa8 n LEU 13 CO 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 177.39 177.02 2wa8 s ALA 14 N 0.00 0.98 0.00 1.96 0.00 -1.26 -5.08 121.76 118.36 2wa8 s ALA 14 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2wa8 s ALA 14 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2wa8 s ALA 14 CO 0.00 -0.25 0.00 -1.91 0.00 0.00 0.00 175.76 173.60 2wa8 n GLU 15 N -0.05 0.00 0.00 0.00 0.00 -1.26 -4.36 120.64 114.97 2wa8 n GLU 15 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 2wa8 n GLU 15 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 2wa8 n GLU 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2wa8 n GLU 16 N 0.00 0.00 -0.14 5.31 2.13 -1.26 -3.57 120.64 123.11 2wa8 n GLU 16 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 2wa8 n GLU 16 Cb 0.00 0.00 0.48 0.00 0.27 0.00 0.00 31.44 32.19 2wa8 n GLU 16 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2wa8 h LYS 17 N 0.00 0.46 -0.90 5.31 1.57 -2.01 -0.06 116.57 120.93 2wa8 h LYS 17 Ca 0.00 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2wa8 h LYS 17 Cb 0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.12 2wa8 h LYS 17 CO 0.00 0.30 0.53 0.28 -0.57 0.00 0.00 179.45 180.00 2wa8 h VAL 18 N 0.47 0.88 0.00 0.50 2.07 -1.95 -0.14 116.25 118.07 2wa8 h VAL 18 Ca 0.33 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2wa8 h VAL 18 Cb 0.63 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2wa8 h VAL 18 CO -0.10 0.15 0.00 0.03 0.02 0.00 0.00 177.57 177.67 2wa8 h ARG 19 N 0.84 0.00 0.17 1.57 -0.00 -1.28 -2.43 114.38 113.26 2wa8 h ARG 19 Ca 0.45 0.00 -0.26 0.00 -0.50 0.00 0.00 59.98 59.67 2wa8 h ARG 19 Cb 0.48 0.00 0.02 0.00 0.00 0.00 0.00 29.97 30.47 2wa8 h ARG 19 CO -0.28 0.00 -1.22 -0.44 0.00 0.00 0.00 179.97 178.03 2wa8 h ASP 20 N 0.00 0.58 0.72 7.04 3.32 -0.93 -3.36 116.42 123.79 2wa8 h ASP 20 Ca 0.00 -0.92 -0.04 0.00 0.02 0.00 0.00 57.03 56.09 2wa8 h ASP 20 Cb 0.55 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2wa8 h ASP 20 CO 0.00 1.57 -0.18 0.00 -1.72 0.00 0.00 179.24 178.91 2wa8 h ALA 21 N 0.08 1.10 -0.06 3.45 0.00 -0.62 -3.20 119.26 120.01 2wa8 h ALA 21 Ca -0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wa8 h ALA 21 Cb 1.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.63 2wa8 h ALA 21 CO 0.17 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2wa8 n LEU 22 N -3.45 1.86 -4.91 0.00 4.77 -1.04 -5.08 117.00 109.14 2wa8 n LEU 22 Ca -0.01 -1.60 -0.27 0.00 -0.03 0.00 0.00 56.01 54.11 2wa8 n LEU 22 Cb 0.35 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2wa8 n LEU 22 CO 0.32 0.45 0.34 -0.54 -1.33 0.00 0.00 177.39 176.63 2wa8 s LYS 23 N -0.70 3.56 0.68 3.23 3.01 -1.21 -4.92 119.74 123.38 2wa8 s LYS 23 Ca 0.05 0.05 -0.17 0.00 -1.01 0.00 0.00 55.97 54.89 2wa8 s LYS 23 Cb 0.03 -2.49 0.01 0.00 -1.01 0.00 0.00 37.83 34.37 2wa8 s LYS 23 CO 0.04 -0.04 1.27 -2.14 0.51 0.00 0.00 175.35 174.99 2wa8 s PRO 24 N -4.41 2.34 0.74 -1.68 0.02 -1.26 -4.96 135.00 125.79 2wa8 s PRO 24 Ca 0.45 1.99 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 2wa8 s PRO 24 Cb -0.10 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.63 2wa8 s PRO 24 CO 0.40 -1.74 1.08 -1.25 -0.33 0.00 0.00 177.00 175.16 2wa8 s PRO 25 N -3.56 2.47 0.18 5.54 0.04 -1.26 -5.01 135.00 133.41 2wa8 s PRO 25 Ca 0.80 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 2wa8 s PRO 25 Cb -0.35 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 2wa8 s PRO 25 CO 0.42 -1.47 0.87 -1.54 0.04 0.00 0.00 177.00 175.32 2wa8 s SER 26 N -3.42 7.51 0.11 6.66 1.04 -1.26 -5.05 113.70 119.28 2wa8 s SER 26 Ca 0.61 1.78 0.01 0.00 0.48 0.00 0.00 55.95 58.83 2wa8 s SER 26 Cb -0.17 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2wa8 s SER 26 CO 0.54 0.14 0.25 -0.04 0.98 0.00 0.00 173.24 175.11 2wa8 s MET 27 N -0.92 3.45 -0.07 4.02 -1.94 -1.26 -3.89 119.30 118.68 2wa8 s MET 27 Ca 0.40 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.89 2wa8 s MET 27 Cb -0.24 -3.00 0.02 0.00 2.01 0.00 0.00 34.83 33.62 2wa8 s MET 27 CO 0.29 0.56 -0.11 0.71 -0.01 0.00 0.00 175.02 176.46 2wa8 s TYR 28 N -1.63 1.42 0.10 -0.03 2.02 0.11 0.19 117.35 119.52 2wa8 s TYR 28 Ca 0.35 -0.56 -0.30 0.00 -0.37 0.00 0.00 57.07 56.19 2wa8 s TYR 28 Cb -0.12 -1.08 -0.06 0.00 -0.40 0.00 0.00 41.96 40.30 2wa8 s TYR 28 CO 0.28 -0.33 1.08 0.15 -1.57 0.00 0.00 175.55 175.16 2wa8 s LYS 29 N 0.92 4.56 -0.31 -0.62 1.02 0.25 -0.91 119.74 124.66 2wa8 s LYS 29 Ca -0.10 1.62 -0.15 0.00 0.02 0.00 0.00 55.97 57.36 2wa8 s LYS 29 Cb -0.15 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2wa8 s LYS 29 CO 0.01 -0.01 0.36 0.08 -0.92 0.00 0.00 175.35 174.86 2wa8 s VAL 30 N 0.41 5.17 -0.13 3.17 1.01 0.50 -0.70 120.40 129.84 2wa8 s VAL 30 Ca 0.52 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.75 2wa8 s VAL 30 Cb -0.27 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2wa8 s VAL 30 CO 0.31 0.02 -0.04 -0.63 0.00 0.00 0.00 175.10 174.76 2wa8 s ILE 31 N 2.04 3.86 -0.15 2.22 -1.09 0.09 0.29 121.20 128.46 2wa8 s ILE 31 Ca 0.13 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 58.06 2wa8 s ILE 31 Cb -0.16 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 2wa8 s ILE 31 CO 0.11 0.53 0.20 -0.22 -1.23 0.00 0.00 174.94 174.33 2wa8 s LEU 32 N -0.01 4.28 0.00 2.97 2.96 -0.59 -0.94 118.68 127.35 2wa8 s LEU 32 Ca 0.01 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2wa8 s LEU 32 Cb -0.13 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 2wa8 s LEU 32 CO 0.03 0.23 0.05 -0.69 -1.32 0.00 0.00 176.35 174.64 2wa8 s VAL 33 N -0.07 4.50 0.49 1.68 1.01 -0.26 -1.98 120.40 125.77 2wa8 s VAL 33 Ca 0.13 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2wa8 s VAL 33 Cb -0.12 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.13 2wa8 s VAL 33 CO 0.02 0.34 1.06 0.21 0.00 0.00 0.00 175.10 176.73 2wa8 s ASN 34 N -1.71 6.25 0.20 3.32 2.47 -0.30 -4.35 114.94 120.81 2wa8 s ASN 34 Ca 0.22 1.98 -0.09 0.00 0.42 0.00 0.00 52.86 55.40 2wa8 s ASN 34 Cb -0.12 -2.57 -0.01 0.00 -1.45 0.00 0.00 41.25 37.10 2wa8 s ASN 34 CO 0.13 -0.85 0.32 1.51 -3.72 0.00 0.00 177.10 174.49 2wa8 s ASP 35 N -1.92 0.02 0.00 -4.21 1.47 -1.26 -4.97 116.67 105.80 2wa8 s ASP 35 Ca 0.68 -0.99 0.27 0.00 1.18 0.00 0.00 52.55 53.69 2wa8 s ASP 35 Cb -0.18 0.47 0.80 0.00 -0.34 0.00 0.00 42.92 43.67 2wa8 s ASP 35 CO 0.22 -0.97 1.59 0.47 0.68 0.00 0.00 175.17 177.16 2wa8 n ASP 36 N -0.28 1.23 -0.02 2.11 8.00 -1.26 -4.47 116.55 121.87 2wa8 n ASP 36 Ca -0.04 -1.10 -0.02 0.00 0.71 0.00 0.00 54.79 54.34 2wa8 n ASP 36 Cb 0.63 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 2wa8 n ASP 36 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wa8 n TYR 37 N -0.36 0.00 -1.89 1.24 4.01 -1.26 -4.96 117.16 113.94 2wa8 n TYR 37 Ca 0.14 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.46 2wa8 n TYR 37 Cb 0.36 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 2wa8 n TYR 37 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wa8 s THR 38 N -2.10 2.78 0.46 -0.72 2.01 -1.26 -4.96 115.64 111.85 2wa8 s THR 38 Ca -0.02 0.39 -0.25 0.00 0.31 0.00 0.00 61.69 62.12 2wa8 s THR 38 Cb 0.01 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2wa8 s THR 38 CO 0.16 0.01 1.41 -2.84 -0.69 0.00 0.00 174.62 172.67 2wa8 s PRO 39 N 2.07 3.65 0.19 4.92 0.02 -1.26 -4.91 135.00 139.67 2wa8 s PRO 39 Ca 0.74 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 64.02 2wa8 s PRO 39 Cb -0.42 -2.62 0.18 0.00 0.02 0.00 0.00 34.50 31.66 2wa8 s PRO 39 CO 0.32 -0.84 1.76 0.52 -0.33 0.00 0.00 177.00 178.43 2wa8 h MET 40 N 2.26 0.38 -0.96 5.54 2.86 -1.99 -1.85 114.93 121.17 2wa8 h MET 40 Ca -0.51 -0.02 0.18 0.00 -2.06 0.00 0.00 59.70 57.28 2wa8 h MET 40 Cb 1.27 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 32.74 2wa8 h MET 40 CO 0.61 0.25 0.56 0.93 1.06 0.00 0.00 176.91 180.32 2wa8 h GLU 41 N 0.39 0.71 -0.20 1.72 5.08 -2.00 -1.72 114.58 118.57 2wa8 h GLU 41 Ca 0.25 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2wa8 h GLU 41 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2wa8 h GLU 41 CO -0.24 0.47 -0.07 0.35 -1.00 0.00 0.00 179.01 178.53 2wa8 h PHE 42 N 0.73 0.45 -0.56 4.33 3.57 -1.72 -1.79 116.94 121.94 2wa8 h PHE 42 Ca 0.54 -0.10 0.07 0.00 3.53 0.00 0.00 57.97 62.01 2wa8 h PHE 42 Cb 0.81 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 2wa8 h PHE 42 CO -0.03 0.66 0.25 0.28 -2.23 0.00 0.00 178.31 177.24 2wa8 h VAL 43 N 0.10 0.87 -0.60 1.41 2.07 -0.93 -0.54 116.25 118.65 2wa8 h VAL 43 Ca 0.05 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.47 2wa8 h VAL 43 Cb 0.53 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 2wa8 h VAL 43 CO 0.02 0.09 0.28 0.40 0.02 0.00 0.00 177.57 178.38 2wa8 h ILE 44 N 0.47 0.89 -0.03 4.57 2.04 -1.18 -1.16 117.51 123.12 2wa8 h ILE 44 Ca 0.27 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.97 2wa8 h ILE 44 Cb 0.25 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2wa8 h ILE 44 CO -0.23 0.10 -0.11 -0.78 0.00 0.00 0.00 178.15 177.13 2wa8 h ASP 45 N 0.52 -0.32 -0.66 1.72 3.58 -0.39 -2.19 116.42 118.69 2wa8 h ASP 45 Ca 0.28 0.05 0.14 0.00 0.42 0.00 0.00 57.03 57.92 2wa8 h ASP 45 Cb 0.25 0.14 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 2wa8 h ASP 45 CO -0.22 -0.16 -0.01 0.58 -2.88 0.00 0.00 179.24 176.55 2wa8 h VAL 46 N -0.18 0.44 -0.64 2.25 2.07 -0.47 0.23 116.25 119.95 2wa8 h VAL 46 Ca 0.05 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2wa8 h VAL 46 Cb 0.24 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2wa8 h VAL 46 CO -0.13 0.02 0.18 -0.07 0.02 0.00 0.00 177.57 177.59 2wa8 h LEU 47 N 0.10 0.96 -0.03 2.57 3.38 -0.80 0.94 115.31 122.43 2wa8 h LEU 47 Ca 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2wa8 h LEU 47 Cb 0.57 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2wa8 h LEU 47 CO -0.58 0.93 -0.00 1.56 0.09 0.00 0.00 178.44 180.44 2wa8 h GLN 48 N 0.94 0.05 -0.60 1.13 4.20 -0.91 -1.74 115.11 118.18 2wa8 h GLN 48 Ca 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2wa8 h GLN 48 Cb 0.33 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2wa8 h GLN 48 CO -0.00 0.37 0.33 -0.22 -0.67 0.00 0.00 178.83 178.64 2wa8 h LYS 49 N -0.27 0.84 0.00 1.46 3.64 -0.32 -2.78 116.57 119.14 2wa8 h LYS 49 Ca 0.01 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2wa8 h LYS 49 Cb 0.35 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2wa8 h LYS 49 CO 0.00 0.64 -0.75 1.19 -2.27 0.00 0.00 179.45 178.26 2wa8 n PHE 50 N -4.57 0.00 -0.50 1.91 3.72 0.31 -4.60 117.46 113.73 2wa8 n PHE 50 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2wa8 n PHE 50 Cb 0.09 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 2wa8 n PHE 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wa8 n PHE 51 N -1.40 0.00 -2.28 1.38 3.01 -0.67 -5.00 117.46 112.49 2wa8 n PHE 51 Ca 0.02 -0.20 -0.19 0.00 1.01 0.00 0.00 57.45 58.08 2wa8 n PHE 51 Cb 0.22 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 2wa8 n PHE 51 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2wa8 n SER 52 N -0.20 -5.52 -4.77 4.37 7.64 -1.05 -4.95 113.62 109.15 2wa8 n SER 52 Ca 0.00 0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 2wa8 n SER 52 Cb 0.33 -4.58 -0.06 0.00 -1.01 0.00 0.00 64.21 58.89 2wa8 n SER 52 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wa8 s TYR 53 N -2.93 3.91 1.06 1.43 2.02 -1.14 -4.98 117.35 116.71 2wa8 s TYR 53 Ca 0.00 1.79 -0.15 0.00 -0.37 0.00 0.00 57.07 58.34 2wa8 s TYR 53 Cb 0.00 -2.89 0.22 0.00 -0.40 0.00 0.00 41.96 38.89 2wa8 s TYR 53 CO 0.00 0.44 1.11 0.16 -1.57 0.00 0.00 175.55 175.69 2wa8 s ASP 54 N -1.25 2.10 0.09 2.29 1.47 -1.26 -4.05 116.67 116.07 2wa8 s ASP 54 Ca 0.41 0.91 -0.20 0.00 1.18 0.00 0.00 52.55 54.84 2wa8 s ASP 54 Cb -0.24 -1.39 -0.09 0.00 -0.34 0.00 0.00 42.92 40.86 2wa8 s ASP 54 CO 0.29 -3.42 1.63 0.58 0.68 0.00 0.00 175.17 174.92 2wa8 h VAL 55 N -2.10 1.16 -0.26 2.11 2.07 -1.97 0.36 116.25 117.63 2wa8 h VAL 55 Ca -0.51 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 66.58 2wa8 h VAL 55 Cb 1.32 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 2wa8 h VAL 55 CO 0.49 0.16 -0.47 -0.33 0.02 0.00 0.00 177.57 177.44 2wa8 h GLU 56 N 0.14 -0.43 -0.52 1.57 3.07 -1.99 0.29 114.58 116.71 2wa8 h GLU 56 Ca 0.06 0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 2wa8 h GLU 56 Cb 0.18 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 2wa8 h GLU 56 CO -0.00 -0.29 0.14 0.00 -1.40 0.00 0.00 179.01 177.46 2wa8 h ARG 57 N -0.45 0.82 -0.35 2.33 2.47 -1.92 -2.37 114.38 114.92 2wa8 h ARG 57 Ca 0.09 -0.19 0.04 0.00 -1.26 0.00 0.00 59.98 58.65 2wa8 h ARG 57 Cb 0.62 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.80 2wa8 h ARG 57 CO -0.49 0.78 0.13 0.00 0.56 0.00 0.00 179.97 180.95 2wa8 h ALA 58 N 1.01 0.40 -0.83 0.04 0.00 -0.39 -0.42 119.26 119.08 2wa8 h ALA 58 Ca 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2wa8 h ALA 58 Cb 0.31 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2wa8 h ALA 58 CO -0.00 -0.26 0.40 1.15 0.00 0.00 0.00 179.25 180.54 2wa8 h THR 59 N 0.29 1.26 -0.71 0.00 2.02 -0.32 0.12 112.91 115.57 2wa8 h THR 59 Ca 0.15 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 2wa8 h THR 59 Cb 0.11 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2wa8 h THR 59 CO -0.15 0.31 0.19 -0.61 0.37 0.00 0.00 175.52 175.63 2wa8 h GLN 60 N 1.17 1.13 -0.18 6.66 4.15 -0.87 -0.92 115.11 126.26 2wa8 h GLN 60 Ca 0.28 -0.26 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 2wa8 h GLN 60 Cb 0.12 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.65 2wa8 h GLN 60 CO -0.04 0.98 -0.24 1.25 -1.93 0.00 0.00 178.83 178.86 2wa8 h LEU 61 N 1.07 0.52 -0.69 -2.39 5.85 -0.71 -0.55 115.31 118.41 2wa8 h LEU 61 Ca 0.23 -0.51 0.15 0.00 0.84 0.00 0.00 57.88 58.59 2wa8 h LEU 61 Cb 0.35 -0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.12 2wa8 h LEU 61 CO -0.00 0.93 0.08 -0.03 -0.34 0.00 0.00 178.44 179.08 2wa8 h MET 62 N 0.12 0.18 -0.39 1.25 4.05 -0.64 -1.55 114.93 117.95 2wa8 h MET 62 Ca 0.02 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 2wa8 h MET 62 Cb 0.80 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 2wa8 h MET 62 CO 0.06 0.12 -0.11 -0.07 0.23 0.00 0.00 176.91 177.13 2wa8 h LEU 63 N 0.18 0.67 -0.38 3.39 3.38 -0.66 0.17 115.31 122.06 2wa8 h LEU 63 Ca 0.38 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.22 2wa8 h LEU 63 Cb 0.64 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2wa8 h LEU 63 CO -0.54 0.81 0.08 0.00 0.09 0.00 0.00 178.44 178.87 2wa8 h ALA 64 N 1.26 0.41 0.32 1.53 0.00 -0.47 0.21 119.26 122.51 2wa8 h ALA 64 Ca 0.11 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2wa8 h ALA 64 Cb 0.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wa8 h ALA 64 CO 0.03 -0.32 -0.16 0.28 0.00 0.00 0.00 179.25 179.09 2wa8 h VAL 65 N 0.20 0.70 -0.67 0.00 2.07 -0.70 0.70 116.25 118.55 2wa8 h VAL 65 Ca 0.18 -0.17 0.12 0.00 0.82 0.00 0.00 66.70 67.65 2wa8 h VAL 65 Cb 0.21 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2wa8 h VAL 65 CO -0.24 0.04 0.23 -0.74 0.02 0.00 0.00 177.57 176.88 2wa8 h HIS 66 N -0.52 0.38 0.00 1.57 6.17 -0.28 0.92 115.15 123.39 2wa8 h HIS 66 Ca -0.04 0.03 -0.21 0.00 0.71 0.00 0.00 60.37 60.86 2wa8 h HIS 66 Cb 0.39 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 2wa8 h HIS 66 CO -0.03 0.04 -1.41 1.88 0.71 0.00 0.00 177.93 179.12 2wa8 h TYR 67 N 0.38 0.00 0.00 5.26 0.05 -0.58 -3.38 116.97 118.70 2wa8 h TYR 67 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 2wa8 h TYR 67 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2wa8 h TYR 67 CO -0.19 0.74 -1.67 1.04 -1.05 0.00 0.00 178.16 177.02 2wa8 n GLN 68 N -2.99 0.63 0.00 4.88 6.02 0.23 -5.00 117.38 121.15 2wa8 n GLN 68 Ca -0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 2wa8 n GLN 68 Cb 0.91 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.77 2wa8 n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wa8 n GLY 69 N 1.51 3.23 3.54 1.08 0.00 0.32 -4.98 105.19 109.89 2wa8 n GLY 69 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2wa8 n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wa8 s LYS 70 N -0.78 0.73 0.11 1.61 -2.85 -1.21 -1.15 119.74 116.21 2wa8 s LYS 70 Ca 0.00 0.01 -0.12 0.00 -1.00 0.00 0.00 55.97 54.86 2wa8 s LYS 70 Cb 0.00 0.34 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2wa8 s LYS 70 CO 0.00 -0.26 0.30 0.00 0.10 0.00 0.00 175.35 175.49 2wa8 s ALA 71 N -1.79 -0.58 -0.23 0.59 0.00 -0.84 -4.46 121.76 114.45 2wa8 s ALA 71 Ca -0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 2wa8 s ALA 71 Cb -0.01 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 2wa8 s ALA 71 CO -0.01 -0.58 0.77 0.42 0.00 0.00 0.00 175.76 176.36 2wa8 s ILE 72 N -3.83 4.89 -0.13 0.00 1.01 -1.26 -1.55 121.20 120.33 2wa8 s ILE 72 Ca 0.04 1.45 0.16 0.00 0.00 0.00 0.00 60.65 62.30 2wa8 s ILE 72 Cb 0.03 -4.06 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 2wa8 s ILE 72 CO -0.11 -0.02 1.03 0.00 0.00 0.00 0.00 174.94 175.84 2wa8 n GLY 74 N 1.34 0.76 3.02 0.00 0.00 -1.23 -5.01 105.19 104.07 2wa8 n GLY 74 Ca -0.06 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 2wa8 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wa8 s VAL 75 N -2.00 1.06 0.21 1.61 1.01 -1.26 -0.37 120.40 120.66 2wa8 s VAL 75 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 2wa8 s VAL 75 Cb 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2wa8 s VAL 75 CO 0.00 0.33 0.29 -0.36 0.00 0.00 0.00 175.10 175.36 2wa8 s PHE 76 N 0.51 0.70 0.73 5.22 0.40 -0.09 -4.92 117.98 120.53 2wa8 s PHE 76 Ca -0.11 -1.01 -0.13 0.00 -0.60 0.00 0.00 56.93 55.09 2wa8 s PHE 76 Cb -0.14 -0.18 0.04 0.00 0.51 0.00 0.00 43.02 43.25 2wa8 s PHE 76 CO 0.03 -0.78 1.12 0.95 0.70 0.00 0.00 175.22 177.23 2wa8 s THR 77 N -4.06 3.08 0.19 0.64 -4.23 -1.26 0.08 115.64 110.08 2wa8 s THR 77 Ca 0.28 0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 61.07 2wa8 s THR 77 Cb 0.03 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 71.15 2wa8 s THR 77 CO 0.08 -0.38 1.64 0.00 -0.54 0.00 0.00 174.62 175.42 2wa8 h ALA 78 N -0.62 0.35 -0.41 3.99 0.00 -1.93 -0.34 119.26 120.30 2wa8 h ALA 78 Ca -0.45 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2wa8 h ALA 78 Cb 1.25 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2wa8 h ALA 78 CO 0.51 -0.44 0.17 0.93 0.00 0.00 0.00 179.25 180.43 2wa8 h GLU 79 N -0.00 0.60 -0.21 0.00 3.07 -1.94 -0.41 114.58 115.69 2wa8 h GLU 79 Ca 0.25 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 2wa8 h GLU 79 Cb 0.39 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2wa8 h GLU 79 CO -0.54 0.56 0.12 0.28 -1.40 0.00 0.00 179.01 178.02 2wa8 h VAL 80 N 0.51 1.10 -0.77 3.13 2.07 -1.77 -2.34 116.25 118.18 2wa8 h VAL 80 Ca 0.14 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2wa8 h VAL 80 Cb 0.17 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2wa8 h VAL 80 CO -0.01 0.10 0.51 0.00 0.02 0.00 0.00 177.57 178.18 2wa8 h ALA 81 N 1.01 1.59 0.01 1.67 0.00 -0.84 -1.58 119.26 121.13 2wa8 h ALA 81 Ca 0.07 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 2wa8 h ALA 81 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2wa8 h ALA 81 CO -0.01 0.31 -0.89 1.49 0.00 0.00 0.00 179.25 180.15 2wa8 h GLU 82 N 0.89 0.06 -0.20 0.00 4.81 -0.80 -1.73 114.58 117.62 2wa8 h GLU 82 Ca 0.32 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2wa8 h GLU 82 Cb 0.13 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2wa8 h GLU 82 CO -0.10 0.91 0.05 1.15 -0.73 0.00 0.00 179.01 180.28 2wa8 h THR 83 N 0.03 1.21 -0.05 0.32 2.02 -1.02 -0.74 112.91 114.67 2wa8 h THR 83 Ca -0.02 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.52 2wa8 h THR 83 Cb 1.55 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 69.19 2wa8 h THR 83 CO 0.12 0.21 -0.22 0.11 0.37 0.00 0.00 175.52 176.11 2wa8 h LYS 84 N 0.13 -0.31 -0.55 6.66 1.79 -1.23 0.14 116.57 123.21 2wa8 h LYS 84 Ca 0.06 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2wa8 h LYS 84 Cb 0.28 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.97 2wa8 h LYS 84 CO 0.00 -0.20 0.35 0.28 -1.08 0.00 0.00 179.45 178.80 2wa8 h VAL 85 N -0.32 1.15 -0.21 0.50 2.07 -1.30 0.30 116.25 118.45 2wa8 h VAL 85 Ca 0.08 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2wa8 h VAL 85 Cb 0.43 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2wa8 h VAL 85 CO -0.24 0.15 0.09 0.00 0.02 0.00 0.00 177.57 177.59 2wa8 h ALA 86 N 1.18 0.27 -0.69 1.67 0.00 -0.92 -1.84 119.26 118.93 2wa8 h ALA 86 Ca 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2wa8 h ALA 86 Cb -0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2wa8 h ALA 86 CO -0.04 -0.15 0.21 0.52 0.00 0.00 0.00 179.25 179.79 2wa8 h MET 87 N 0.19 1.08 -0.13 0.00 2.07 -0.34 -1.17 114.93 116.63 2wa8 h MET 87 Ca 0.07 -0.24 -0.01 0.00 -2.07 0.00 0.00 59.70 57.45 2wa8 h MET 87 Cb 0.16 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 2wa8 h MET 87 CO -0.01 0.94 0.05 0.28 1.07 0.00 0.00 176.91 179.24 2wa8 h VAL 88 N 1.02 1.17 -0.51 -2.22 2.07 -0.27 -0.21 116.25 117.30 2wa8 h VAL 88 Ca 0.22 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 2wa8 h VAL 88 Cb 0.31 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2wa8 h VAL 88 CO -0.01 0.16 -0.10 0.78 0.02 0.00 0.00 177.57 178.42 2wa8 h ASN 89 N 0.04 0.94 -0.74 0.57 2.35 -1.24 -1.09 115.58 116.41 2wa8 h ASN 89 Ca 0.04 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 2wa8 h ASN 89 Cb 0.20 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 2wa8 h ASN 89 CO -0.00 1.05 0.26 0.50 -1.65 0.00 0.00 177.43 177.58 2wa8 h LYS 90 N 0.84 1.12 -0.31 0.81 3.64 -1.05 -1.83 116.57 119.80 2wa8 h LYS 90 Ca 0.14 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2wa8 h LYS 90 Cb 0.64 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2wa8 h LYS 90 CO 0.04 0.94 -0.16 -0.92 -2.27 0.00 0.00 179.45 177.09 2wa8 h TYR 91 N 1.08 0.60 -0.22 1.91 3.20 -0.68 -2.27 116.97 120.58 2wa8 h TYR 91 Ca 0.24 -0.10 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2wa8 h TYR 91 Cb 0.27 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2wa8 h TYR 91 CO 0.02 0.68 -0.14 0.00 -1.64 0.00 0.00 178.16 177.08 2wa8 h ALA 92 N 1.34 0.32 -0.55 1.82 0.00 -0.75 -3.06 119.26 118.38 2wa8 h ALA 92 Ca 0.09 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2wa8 h ALA 92 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wa8 h ALA 92 CO 0.04 0.20 0.03 0.00 0.00 0.00 0.00 179.25 179.51 2wa8 h ARG 93 N 0.19 0.95 0.00 0.00 2.47 -1.20 -0.64 114.38 116.14 2wa8 h ARG 93 Ca 0.05 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.48 2wa8 h ARG 93 Cb 0.65 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2wa8 h ARG 93 CO 0.04 0.94 0.00 0.93 0.56 0.00 0.00 179.97 182.44 2wa8 h GLU 94 N 0.83 0.00 -0.26 0.04 5.08 -1.45 0.14 114.58 118.96 2wa8 h GLU 94 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2wa8 h GLU 94 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wa8 h GLU 94 CO 0.02 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.12 2wa8 n ASN 95 N -2.77 3.59 -3.84 1.42 3.02 -0.67 -4.98 115.26 111.04 2wa8 n ASN 95 Ca -0.02 -2.80 -0.24 0.00 -0.03 0.00 0.00 54.58 51.49 2wa8 n ASN 95 Cb 0.09 -0.47 0.01 0.00 -0.61 0.00 0.00 39.78 38.80 2wa8 n ASN 95 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wa8 n GLU 96 N -0.35 -4.21 -4.53 3.52 -0.58 0.51 -5.01 120.64 109.99 2wa8 n GLU 96 Ca 0.19 0.52 -0.25 0.00 -0.42 0.00 0.00 57.16 57.19 2wa8 n GLU 96 Cb 0.78 -4.92 -0.14 0.00 -0.57 0.00 0.00 31.44 26.59 2wa8 n GLU 96 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2wa8 s HIS 97 N -3.76 1.85 -2.06 -0.32 3.76 -0.34 -5.01 115.29 109.41 2wa8 s HIS 97 Ca 0.06 -0.39 0.14 0.00 -0.15 0.00 0.00 55.06 54.72 2wa8 s HIS 97 Cb -0.03 -1.07 0.70 0.00 1.11 0.00 0.00 32.58 33.29 2wa8 s HIS 97 CO 0.85 0.14 1.47 -0.35 -0.85 0.00 0.00 174.74 176.00 2wa8 n PRO 98 N 1.57 1.23 -1.66 8.40 -0.04 -1.26 -3.95 135.00 139.30 2wa8 n PRO 98 Ca -0.18 -0.36 -0.56 0.00 -0.04 0.00 0.00 63.50 62.37 2wa8 n PRO 98 Cb 0.53 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 2wa8 n PRO 98 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2wa8 n LEU 99 N -0.36 1.97 -4.38 1.53 7.94 -1.26 -4.93 117.00 117.51 2wa8 n LEU 99 Ca 0.11 1.10 -0.35 0.00 -1.11 0.00 0.00 56.01 55.76 2wa8 n LEU 99 Cb 0.13 -1.15 -0.13 0.00 0.53 0.00 0.00 43.42 42.80 2wa8 n LEU 99 CO 0.08 -0.74 -0.35 -0.22 -1.11 0.00 0.00 177.39 175.05 2wa8 s LEU 100 N 2.14 3.10 -0.08 -1.96 2.96 -1.26 -4.79 118.68 118.79 2wa8 s LEU 100 Ca 0.92 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2wa8 s LEU 100 Cb -1.04 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 2wa8 s LEU 100 CO 0.58 0.01 -0.10 0.00 -1.32 0.00 0.00 176.35 175.53 2wa8 s THR 102 N -0.54 0.09 0.22 0.00 -1.32 -0.12 -4.88 115.64 109.09 2wa8 s THR 102 Ca 0.08 -1.53 0.11 0.00 -1.21 0.00 0.00 61.69 59.14 2wa8 s THR 102 Cb -0.12 -1.82 -0.05 0.00 -1.51 0.00 0.00 72.50 69.01 2wa8 s THR 102 CO 0.02 -0.43 -0.18 -1.48 -2.21 0.00 0.00 174.62 170.34 2wa8 s LEU 103 N -2.97 2.65 -0.01 9.08 0.05 -1.26 -0.73 118.68 125.48 2wa8 s LEU 103 Ca 0.17 -0.83 0.00 0.00 0.05 0.00 0.00 54.13 53.52 2wa8 s LEU 103 Cb 0.05 -1.30 0.02 0.00 -2.05 0.00 0.00 46.19 42.91 2wa8 s LEU 103 CO -0.01 0.09 0.01 -0.70 -0.55 0.00 0.00 176.35 175.18 2wa8 s GLU 104 N -3.00 0.10 0.11 1.48 2.12 0.12 -4.97 118.70 114.67 2wa8 s GLU 104 Ca 0.25 0.07 -0.31 0.00 0.36 0.00 0.00 54.97 55.34 2wa8 s GLU 104 Cb -0.07 -0.24 -0.09 0.00 0.26 0.00 0.00 34.13 33.99 2wa8 s GLU 104 CO 0.13 -0.08 1.55 0.21 -0.54 0.00 0.00 175.26 176.53 2wa8 s LYS 105 N 0.62 4.23 0.00 4.30 2.20 -1.26 0.88 119.74 130.71 2wa8 s LYS 105 Ca -0.06 2.28 0.19 0.00 -0.36 0.00 0.00 55.97 58.02 2wa8 s LYS 105 Cb -0.08 -3.35 1.14 0.00 -1.51 0.00 0.00 37.83 34.03 2wa8 s LYS 105 CO -0.01 -0.62 1.53 0.00 -0.36 0.00 0.00 175.35 175.89