#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr9 n ARG 9 N 0.00 1.82 0.00 -3.83 1.74 -1.26 -1.62 116.66 113.51 2wr9 n ARG 9 Ca 0.00 -1.56 0.15 0.00 -0.77 0.00 0.00 57.85 55.67 2wr9 n ARG 9 Cb 0.00 -1.41 0.74 0.00 -1.02 0.00 0.00 32.46 30.77 2wr9 n ARG 9 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wr9 n ALA 10 N 0.88 2.46 -3.66 7.54 0.00 -1.26 -4.52 120.51 121.95 2wr9 n ALA 10 Ca 0.11 -0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2wr9 n ALA 10 Cb 0.51 -1.48 0.04 0.00 0.00 0.00 0.00 19.45 18.51 2wr9 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr9 n GLY 11 N 1.27 -0.62 3.01 0.00 0.00 -1.26 -4.73 105.19 102.87 2wr9 n GLY 11 Ca 0.14 0.29 -0.14 0.00 0.00 0.00 0.00 46.02 46.31 2wr9 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr9 s GLU 12 N -5.83 0.46 0.11 1.61 2.02 -1.26 -0.59 118.70 115.22 2wr9 s GLU 12 Ca 0.21 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.78 2wr9 s GLU 12 Cb -0.06 -0.31 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 2wr9 s GLU 12 CO 0.83 0.07 -0.22 -0.06 0.02 0.00 0.00 175.26 175.89 2wr9 s PHE 13 N -0.86 1.90 -0.27 1.61 0.08 0.10 -4.83 117.98 115.72 2wr9 s PHE 13 Ca -0.05 -0.41 0.03 0.00 0.12 0.00 0.00 56.93 56.62 2wr9 s PHE 13 Cb -0.07 -1.04 0.07 0.00 -0.57 0.00 0.00 43.02 41.41 2wr9 s PHE 13 CO 0.00 0.24 -0.08 0.45 -0.10 0.00 0.00 175.22 175.72 2wr9 s SER 14 N -1.95 4.50 0.38 1.36 0.15 -1.26 -0.95 113.70 115.94 2wr9 s SER 14 Ca 0.08 -1.52 0.06 0.00 0.70 0.00 0.00 55.95 55.27 2wr9 s SER 14 Cb -0.10 -1.56 -0.07 0.00 -1.71 0.00 0.00 66.02 62.57 2wr9 s SER 14 CO 0.05 -0.22 0.03 0.27 1.20 0.00 0.00 173.24 174.56 2wr9 s ILE 15 N 1.07 1.71 0.50 6.45 -4.36 0.04 -5.03 121.20 121.59 2wr9 s ILE 15 Ca -0.06 -2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 58.10 2wr9 s ILE 15 Cb -0.20 -2.92 -0.06 0.00 1.25 0.00 0.00 42.46 40.53 2wr9 s ILE 15 CO -0.05 0.00 1.38 -2.84 0.24 0.00 0.00 174.94 173.66 2wr9 s PRO 16 N -3.77 3.41 0.92 0.37 0.02 -1.26 -4.41 135.00 130.27 2wr9 s PRO 16 Ca 0.35 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 2wr9 s PRO 16 Cb 0.09 -2.44 0.14 0.00 0.02 0.00 0.00 34.50 32.32 2wr9 s PRO 16 CO 0.17 -0.99 1.09 -2.14 -0.33 0.00 0.00 177.00 174.80 2wr9 s PRO 17 N -2.69 1.03 -1.50 5.54 0.02 -1.26 -3.85 135.00 132.29 2wr9 s PRO 17 Ca 0.66 0.96 -0.08 0.00 0.02 0.00 0.00 61.00 62.56 2wr9 s PRO 17 Cb -0.41 -1.77 0.06 0.00 0.02 0.00 0.00 34.50 32.40 2wr9 s PRO 17 CO 0.51 -2.44 0.68 0.09 -0.33 0.00 0.00 177.00 175.51 2wr9 n ASN 18 N -4.04 -2.20 -3.99 2.53 5.03 0.19 -4.90 115.26 107.89 2wr9 n ASN 18 Ca 0.07 -0.93 -0.29 0.00 0.87 0.00 0.00 54.58 54.30 2wr9 n ASN 18 Cb 0.54 -3.29 -0.17 0.00 -1.02 0.00 0.00 39.78 35.85 2wr9 n ASN 18 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2wr9 s THR 19 N -3.60 1.42 0.32 3.41 2.01 -1.25 -4.87 115.64 113.07 2wr9 s THR 19 Ca 0.34 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.52 2wr9 s THR 19 Cb -0.18 -1.35 -0.09 0.00 0.01 0.00 0.00 72.50 70.88 2wr9 s THR 19 CO 0.88 0.43 1.10 -1.81 -0.69 0.00 0.00 174.62 174.53 2wr9 s ASP 20 N 1.48 7.09 0.05 3.53 1.01 -1.26 -0.55 116.67 128.02 2wr9 s ASP 20 Ca 0.04 2.23 -0.09 0.00 0.71 0.00 0.00 52.55 55.43 2wr9 s ASP 20 Cb -0.13 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.19 2wr9 s ASP 20 CO -0.09 -0.26 0.20 0.72 0.21 0.00 0.00 175.17 175.94 2wr9 s PHE 21 N -1.29 0.07 0.21 4.23 -0.12 -0.00 -4.52 117.98 116.55 2wr9 s PHE 21 Ca 0.48 -0.32 -0.16 0.00 -0.05 0.00 0.00 56.93 56.89 2wr9 s PHE 21 Cb -0.30 -0.03 -0.08 0.00 -0.63 0.00 0.00 43.02 41.98 2wr9 s PHE 21 CO 0.38 -0.45 0.65 1.03 -0.05 0.00 0.00 175.22 176.78 2wr9 s ARG 22 N -2.76 4.08 -0.12 1.99 1.81 0.32 -1.50 118.95 122.76 2wr9 s ARG 22 Ca -0.04 0.65 0.00 0.00 -1.72 0.00 0.00 55.73 54.63 2wr9 s ARG 22 Cb -0.00 -2.82 0.02 0.00 -0.45 0.00 0.00 34.95 31.70 2wr9 s ARG 22 CO -0.05 0.39 -0.10 0.00 -0.68 0.00 0.00 175.30 174.86 2wr9 s ALA 23 N -1.59 1.50 -0.20 2.13 0.00 0.36 -1.33 121.76 122.63 2wr9 s ALA 23 Ca 0.43 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.69 2wr9 s ALA 23 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 2wr9 s ALA 23 CO 0.20 -0.35 0.00 0.42 0.00 0.00 0.00 175.76 176.03 2wr9 s ILE 24 N 1.52 3.97 -0.07 0.00 -1.09 0.12 -0.75 121.20 124.90 2wr9 s ILE 24 Ca 0.03 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 2wr9 s ILE 24 Cb -0.13 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.93 2wr9 s ILE 24 CO -0.08 0.43 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.60 2wr9 s PHE 25 N 0.96 2.83 0.24 3.97 0.08 0.28 -0.39 117.98 125.94 2wr9 s PHE 25 Ca 0.01 -0.16 -0.21 0.00 0.12 0.00 0.00 56.93 56.70 2wr9 s PHE 25 Cb -0.14 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2wr9 s PHE 25 CO 0.02 0.18 0.66 -0.59 -0.10 0.00 0.00 175.22 175.38 2wr9 s PHE 26 N -0.55 -0.23 0.03 0.36 -0.12 -0.81 -1.00 117.98 115.67 2wr9 s PHE 26 Ca 0.08 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.82 2wr9 s PHE 26 Cb -0.12 0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 42.87 2wr9 s PHE 26 CO 0.02 -1.11 -0.07 0.00 -0.05 0.00 0.00 175.22 174.00 2wr9 s ALA 27 N -3.88 0.56 -0.65 1.99 0.00 -1.26 -1.41 121.76 117.10 2wr9 s ALA 27 Ca 0.09 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2wr9 s ALA 27 Cb -0.04 0.02 0.17 0.00 0.00 0.00 0.00 23.12 23.27 2wr9 s ALA 27 CO 0.02 0.00 0.47 0.09 0.00 0.00 0.00 175.76 176.34 2wr9 n ASN 28 N 1.70 2.37 -3.59 0.00 3.02 -0.42 -3.91 115.26 114.44 2wr9 n ASN 28 Ca -0.21 -3.06 -0.12 0.00 -0.03 0.00 0.00 54.58 51.16 2wr9 n ASN 28 Cb 0.55 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 2wr9 n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wr9 s ALA 29 N -1.20 -1.89 0.06 5.41 0.00 -1.26 -4.12 121.76 118.76 2wr9 s ALA 29 Ca 0.27 1.65 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 2wr9 s ALA 29 Cb -0.02 -0.80 -0.27 0.00 0.00 0.00 0.00 23.12 22.03 2wr9 s ALA 29 CO -0.17 -0.31 1.12 0.00 0.00 0.00 0.00 175.76 176.40 2wr9 h ALA 30 N 3.33 0.03 -2.29 0.00 0.00 -1.95 -1.31 119.26 117.07 2wr9 h ALA 30 Ca -0.24 -0.79 -0.46 0.00 0.00 0.00 0.00 54.91 53.43 2wr9 h ALA 30 Cb 1.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2wr9 h ALA 30 CO 0.25 0.74 0.33 -1.21 0.00 0.00 0.00 179.25 179.36 2wr9 s GLU 31 N -2.94 4.42 0.02 0.00 0.41 -1.26 -4.85 118.70 114.49 2wr9 s GLU 31 Ca -0.08 1.22 -0.30 0.00 -0.41 0.00 0.00 54.97 55.40 2wr9 s GLU 31 Cb 0.06 -2.55 -0.08 0.00 -1.78 0.00 0.00 34.13 29.78 2wr9 s GLU 31 CO 0.92 0.16 1.83 -0.65 -0.49 0.00 0.00 175.26 177.03 2wr9 s GLN 32 N -2.52 4.16 -0.36 1.61 -0.21 -1.26 -4.59 119.66 116.49 2wr9 s GLN 32 Ca 0.55 2.46 -0.19 0.00 0.02 0.00 0.00 55.36 58.20 2wr9 s GLN 32 Cb -0.15 -4.02 0.00 0.00 1.00 0.00 0.00 33.01 29.85 2wr9 s GLN 32 CO 0.19 -0.89 0.55 -0.65 -2.12 0.00 0.00 175.29 172.37 2wr9 s GLN 33 N 4.04 3.61 -0.61 2.91 -1.52 0.27 -4.59 119.66 123.77 2wr9 s GLN 33 Ca 0.82 -0.12 -0.25 0.00 -1.95 0.00 0.00 55.36 53.86 2wr9 s GLN 33 Cb -0.40 -3.82 0.04 0.00 -0.22 0.00 0.00 33.01 28.62 2wr9 s GLN 33 CO 0.37 -0.69 1.04 -1.01 -0.25 0.00 0.00 175.29 174.74 2wr9 s HIS 34 N 2.50 2.66 -0.23 0.91 3.76 -0.40 -0.57 115.29 123.91 2wr9 s HIS 34 Ca 0.20 -0.08 -0.04 0.00 -0.15 0.00 0.00 55.06 54.99 2wr9 s HIS 34 Cb -0.15 -4.28 -0.01 0.00 1.11 0.00 0.00 32.58 29.25 2wr9 s HIS 34 CO 0.14 -1.57 -0.02 0.42 -0.85 0.00 0.00 174.74 172.85 2wr9 s ILE 35 N 4.41 3.49 -0.05 0.60 1.01 0.28 -1.80 121.20 129.14 2wr9 s ILE 35 Ca 0.31 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.54 2wr9 s ILE 35 Cb -0.12 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2wr9 s ILE 35 CO 0.17 0.39 -0.25 -0.54 0.00 0.00 0.00 174.94 174.72 2wr9 s LYS 36 N 1.49 2.43 -0.15 2.79 1.02 0.07 -1.45 119.74 125.93 2wr9 s LYS 36 Ca 0.06 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.15 2wr9 s LYS 36 Cb -0.15 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2wr9 s LYS 36 CO -0.02 0.45 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.52 2wr9 s LEU 37 N -0.32 2.41 0.01 3.17 0.20 -0.29 -1.61 118.68 122.25 2wr9 s LEU 37 Ca 0.01 -0.50 0.06 0.00 0.69 0.00 0.00 54.13 54.40 2wr9 s LEU 37 Cb -0.12 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.06 2wr9 s LEU 37 CO 0.02 0.08 -0.17 -0.36 -0.29 0.00 0.00 176.35 175.63 2wr9 s PHE 38 N 0.83 2.59 -0.14 5.38 0.08 0.21 -0.13 117.98 126.81 2wr9 s PHE 38 Ca -0.05 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 2wr9 s PHE 38 Cb -0.15 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 2wr9 s PHE 38 CO -0.01 0.22 -0.11 0.42 -0.10 0.00 0.00 175.22 175.64 2wr9 s ILE 39 N -0.86 3.19 0.00 0.64 1.01 -1.26 -0.55 121.20 123.37 2wr9 s ILE 39 Ca 0.14 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2wr9 s ILE 39 Cb -0.11 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.01 2wr9 s ILE 39 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2wr9 n GLY 40 N 3.56 3.11 0.79 6.18 0.00 0.90 -2.69 105.19 117.03 2wr9 n GLY 40 Ca -0.18 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.63 2wr9 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wr9 n ASP 41 N 2.34 2.31 -4.77 1.61 8.00 -1.26 -4.92 116.55 119.86 2wr9 n ASP 41 Ca 0.00 -1.91 -0.40 0.00 0.71 0.00 0.00 54.79 53.20 2wr9 n ASP 41 Cb 0.00 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 2wr9 n ASP 41 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wr9 s SER 42 N -1.24 6.75 0.22 -2.24 0.15 -1.10 -4.95 113.70 111.29 2wr9 s SER 42 Ca 0.32 2.47 0.21 0.00 0.70 0.00 0.00 55.95 59.65 2wr9 s SER 42 Cb 0.17 -2.63 0.04 0.00 -1.71 0.00 0.00 66.02 61.89 2wr9 s SER 42 CO 0.24 -0.53 1.13 1.56 1.20 0.00 0.00 173.24 176.84 2wr9 h GLN 43 N 3.15 0.00 -5.86 5.44 4.20 -1.93 -3.44 115.11 116.67 2wr9 h GLN 43 Ca -0.48 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 57.65 2wr9 h GLN 43 Cb 1.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 2wr9 h GLN 43 CO 0.64 0.11 -0.07 -1.21 -0.67 0.00 0.00 178.83 177.64 2wr9 s GLU 44 N -3.20 4.35 0.41 1.46 0.41 -1.26 -5.04 118.70 115.83 2wr9 s GLU 44 Ca 0.01 0.59 -0.25 0.00 -0.41 0.00 0.00 54.97 54.91 2wr9 s GLU 44 Cb 0.08 -3.42 -0.08 0.00 -1.78 0.00 0.00 34.13 28.93 2wr9 s GLU 44 CO 0.77 0.18 1.18 -1.25 -0.49 0.00 0.00 175.26 175.66 2wr9 s PRO 45 N 0.49 3.98 0.24 0.39 0.04 -1.26 -4.74 135.00 134.14 2wr9 s PRO 45 Ca 0.29 1.86 0.13 0.00 0.04 0.00 0.00 61.00 63.32 2wr9 s PRO 45 Cb -0.16 -2.63 0.10 0.00 0.04 0.00 0.00 34.50 31.85 2wr9 s PRO 45 CO 0.13 -0.39 1.45 0.00 0.04 0.00 0.00 177.00 178.23 2wr9 h ALA 46 N 2.51 0.64 -3.29 8.56 0.00 -0.90 -3.45 119.26 123.34 2wr9 h ALA 46 Ca -0.49 -0.59 -0.19 0.00 0.00 0.00 0.00 54.91 53.64 2wr9 h ALA 46 Cb 1.24 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.68 2wr9 h ALA 46 CO 0.62 0.81 -0.62 0.00 0.00 0.00 0.00 179.25 180.06 2wr9 s ALA 47 N -3.03 -0.14 -0.10 0.00 0.00 -1.15 -5.02 121.76 112.32 2wr9 s ALA 47 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 2wr9 s ALA 47 Cb 0.09 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.24 2wr9 s ALA 47 CO 0.76 -0.09 0.23 -0.47 0.00 0.00 0.00 175.76 176.19 2wr9 s TYR 48 N -0.54 -0.30 0.01 0.00 5.04 -1.26 -1.14 117.35 119.16 2wr9 s TYR 48 Ca -0.06 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2wr9 s TYR 48 Cb -0.04 0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.28 2wr9 s TYR 48 CO 0.00 -0.22 -0.02 -1.01 -1.34 0.00 0.00 175.55 172.96 2wr9 s HIS 49 N 1.27 0.17 -0.30 4.97 3.76 -0.53 -5.00 115.29 119.63 2wr9 s HIS 49 Ca -0.09 -0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 54.50 2wr9 s HIS 49 Cb -0.11 -0.12 0.04 0.00 1.11 0.00 0.00 32.58 33.51 2wr9 s HIS 49 CO -0.08 -0.10 0.02 0.15 -0.85 0.00 0.00 174.74 173.88 2wr9 s LYS 50 N -0.79 2.56 -0.01 1.40 1.02 -1.26 -0.56 119.74 122.10 2wr9 s LYS 50 Ca -0.08 -1.19 0.03 0.00 0.02 0.00 0.00 55.97 54.74 2wr9 s LYS 50 Cb -0.05 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2wr9 s LYS 50 CO -0.00 -0.59 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.23 2wr9 s LEU 51 N 1.31 2.02 0.52 3.17 1.43 0.26 -4.83 118.68 122.56 2wr9 s LEU 51 Ca -0.03 -0.16 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2wr9 s LEU 51 Cb -0.19 -0.44 0.03 0.00 0.03 0.00 0.00 46.19 45.61 2wr9 s LEU 51 CO -0.00 0.10 0.38 0.42 0.23 0.00 0.00 176.35 177.48 2wr9 s THR 52 N -0.21 1.77 0.19 5.49 -4.23 -1.26 -0.56 115.64 116.83 2wr9 s THR 52 Ca 0.03 -1.51 -0.15 0.00 -1.18 0.00 0.00 61.69 58.89 2wr9 s THR 52 Cb -0.03 -2.28 0.18 0.00 1.34 0.00 0.00 72.50 71.71 2wr9 s THR 52 CO -0.00 0.00 1.65 0.74 -0.54 0.00 0.00 174.62 176.46 2wr9 h THR 53 N 0.83 0.47 -0.10 3.99 2.02 -1.35 -1.79 112.91 116.98 2wr9 h THR 53 Ca -0.38 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2wr9 h THR 53 Cb 1.30 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2wr9 h THR 53 CO 0.58 0.00 0.14 0.03 0.37 0.00 0.00 175.52 176.64 2wr9 h ARG 54 N 0.01 0.00 0.00 6.66 3.08 -1.89 -2.99 114.38 119.25 2wr9 h ARG 54 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2wr9 h ARG 54 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2wr9 h ARG 54 CO -0.55 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.10 2wr9 n ASP 55 N -3.66 0.00 -0.30 7.04 8.00 -0.67 -5.03 116.55 121.93 2wr9 n ASP 55 Ca -0.00 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.88 2wr9 n ASP 55 Cb 0.24 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 2wr9 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wr9 n GLY 56 N 1.46 -0.34 3.92 0.44 0.00 -1.13 -4.90 105.19 104.63 2wr9 n GLY 56 Ca 0.08 -1.02 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 2wr9 n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wr9 s PRO 57 N 0.00 3.54 0.09 1.61 0.04 -1.26 -4.62 135.00 134.41 2wr9 s PRO 57 Ca 0.00 -0.05 0.05 0.00 0.04 0.00 0.00 61.00 61.03 2wr9 s PRO 57 Cb 0.00 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 2wr9 s PRO 57 CO 0.00 0.03 -0.13 1.03 0.04 0.00 0.00 177.00 177.97 2wr9 s ARG 58 N -4.31 0.86 -0.03 4.56 1.81 -0.17 -4.97 118.95 116.70 2wr9 s ARG 58 Ca 0.44 -1.07 0.01 0.00 -1.72 0.00 0.00 55.73 53.38 2wr9 s ARG 58 Cb -0.10 -0.74 0.02 0.00 -0.45 0.00 0.00 34.95 33.68 2wr9 s ARG 58 CO 0.38 0.15 -0.02 -2.00 -0.68 0.00 0.00 175.30 173.13 2wr9 s GLU 59 N -2.25 0.45 0.20 3.54 2.12 -1.26 -0.55 118.70 120.94 2wr9 s GLU 59 Ca 0.02 0.00 0.10 0.00 0.36 0.00 0.00 54.97 55.46 2wr9 s GLU 59 Cb -0.07 -0.56 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 2wr9 s GLU 59 CO 0.02 -0.10 -0.16 0.00 -0.54 0.00 0.00 175.26 174.48 2wr9 s ALA 60 N 0.88 2.76 -0.15 6.30 0.00 0.07 -4.97 121.76 126.65 2wr9 s ALA 60 Ca -0.10 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2wr9 s ALA 60 Cb -0.13 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2wr9 s ALA 60 CO -0.01 0.43 -0.12 0.99 0.00 0.00 0.00 175.76 177.05 2wr9 s THR 61 N -1.78 1.46 0.08 0.00 2.01 -1.26 -0.49 115.64 115.66 2wr9 s THR 61 Ca 0.24 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2wr9 s THR 61 Cb -0.08 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2wr9 s THR 61 CO 0.13 0.41 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.66 2wr9 s LEU 62 N 1.53 2.49 -0.11 4.42 1.43 -0.57 -4.98 118.68 122.88 2wr9 s LEU 62 Ca 0.04 -1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 2wr9 s LEU 62 Cb -0.13 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.08 2wr9 s LEU 62 CO -0.10 -0.52 0.00 0.21 0.23 0.00 0.00 176.35 176.17 2wr9 s ASN 63 N -3.00 5.18 0.02 2.29 3.84 -1.26 -0.82 114.94 121.18 2wr9 s ASN 63 Ca 0.11 0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.42 2wr9 s ASN 63 Cb 0.06 -1.61 0.72 0.00 -0.55 0.00 0.00 41.25 39.88 2wr9 s ASN 63 CO -0.06 0.30 1.54 -1.54 -2.79 0.00 0.00 177.10 174.55 2wr9 n SER 64 N 2.65 0.04 0.00 -4.21 3.41 0.28 -4.90 113.62 110.89 2wr9 n SER 64 Ca -0.18 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2wr9 n SER 64 Cb 0.53 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2wr9 n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr9 n GLY 65 N 0.21 4.00 0.00 5.00 0.00 -1.26 -0.07 105.19 113.08 2wr9 n GLY 65 Ca 0.04 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.22 2wr9 n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr9 n ASN 66 N 7.32 0.00 0.00 1.61 0.23 -1.26 -0.63 115.26 122.53 2wr9 n ASN 66 Ca 0.00 -0.71 0.00 0.00 -0.53 0.00 0.00 54.58 53.34 2wr9 n ASN 66 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 2wr9 n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr9 n GLY 67 N 0.66 0.82 3.61 4.83 0.00 0.91 -4.55 105.19 111.46 2wr9 n GLY 67 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2wr9 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr9 s LYS 68 N -0.80 3.98 -0.14 1.61 -0.14 -1.25 -0.78 119.74 122.22 2wr9 s LYS 68 Ca 0.00 0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 54.89 2wr9 s LYS 68 Cb 0.00 -3.69 -0.02 0.00 -1.68 0.00 0.00 37.83 32.45 2wr9 s LYS 68 CO 0.00 -0.45 -0.11 0.42 -0.76 0.00 0.00 175.35 174.45 2wr9 s ILE 69 N 2.42 3.19 0.10 2.17 -1.09 -0.12 -0.07 121.20 127.80 2wr9 s ILE 69 Ca 0.23 -0.61 0.09 0.00 -2.23 0.00 0.00 60.65 58.13 2wr9 s ILE 69 Cb -0.15 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 2wr9 s ILE 69 CO 0.10 0.51 -0.23 0.00 -1.23 0.00 0.00 174.94 174.09 2wr9 s ARG 70 N 0.46 1.32 -0.05 2.79 1.70 0.29 0.03 118.95 125.50 2wr9 s ARG 70 Ca -0.08 -1.18 0.06 0.00 -0.47 0.00 0.00 55.73 54.06 2wr9 s ARG 70 Cb -0.15 -1.63 -0.01 0.00 -0.57 0.00 0.00 34.95 32.58 2wr9 s ARG 70 CO 0.04 0.39 -0.24 -0.06 -1.08 0.00 0.00 175.30 174.36 2wr9 s PHE 71 N -1.04 2.29 -0.09 5.89 0.08 0.24 -0.61 117.98 124.74 2wr9 s PHE 71 Ca 0.10 -0.62 0.03 0.00 0.12 0.00 0.00 56.93 56.56 2wr9 s PHE 71 Cb -0.10 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2wr9 s PHE 71 CO 0.04 -0.16 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.61 2wr9 s GLU 72 N -0.25 2.38 -0.07 0.44 2.02 -0.63 -4.73 118.70 117.86 2wr9 s GLU 72 Ca -0.00 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.39 2wr9 s GLU 72 Cb -0.12 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 2wr9 s GLU 72 CO 0.02 0.09 -0.23 0.08 0.02 0.00 0.00 175.26 175.24 2wr9 s VAL 73 N 0.55 2.22 0.03 2.63 1.01 -1.26 -0.75 120.40 124.83 2wr9 s VAL 73 Ca -0.16 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 2wr9 s VAL 73 Cb -0.17 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2wr9 s VAL 73 CO 0.06 0.57 -0.00 -0.94 0.00 0.00 0.00 175.10 174.78 2wr9 s SER 74 N -0.09 0.27 -0.08 3.32 1.04 -0.75 0.08 113.70 117.50 2wr9 s SER 74 Ca -0.05 -0.58 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 2wr9 s SER 74 Cb -0.14 0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.16 2wr9 s SER 74 CO 0.04 -0.39 0.15 -0.69 0.98 0.00 0.00 173.24 173.34 2wr9 s VAL 75 N -2.07 -0.20 -1.51 5.02 1.01 -0.64 -1.27 120.40 120.74 2wr9 s VAL 75 Ca -0.10 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 2wr9 s VAL 75 Cb -0.05 -0.27 0.07 0.00 0.00 0.00 0.00 36.38 36.12 2wr9 s VAL 75 CO -0.03 0.13 0.73 0.59 0.00 0.00 0.00 175.10 176.52 2wr9 n ASN 76 N 5.04 -2.61 0.00 3.32 3.02 -1.26 -1.53 115.26 121.23 2wr9 n ASN 76 Ca -0.10 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 2wr9 n ASN 76 Cb 0.50 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 2wr9 n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr9 n GLY 77 N -1.68 0.43 3.43 7.41 0.00 -1.26 -5.01 105.19 108.52 2wr9 n GLY 77 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2wr9 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr9 s LYS 78 N -0.58 3.11 0.25 1.61 1.02 -0.59 -5.09 119.74 119.47 2wr9 s LYS 78 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.04 2wr9 s LYS 78 Cb 0.00 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 2wr9 s LYS 78 CO 0.00 0.37 1.28 -1.25 -0.92 0.00 0.00 175.35 174.83 2wr9 s PRO 79 N -0.06 4.42 0.33 -1.68 0.04 -1.26 -1.62 135.00 135.17 2wr9 s PRO 79 Ca -0.02 2.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 2wr9 s PRO 79 Cb -0.14 -3.16 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 2wr9 s PRO 79 CO 0.04 -0.17 0.84 -1.12 0.04 0.00 0.00 177.00 176.63 2wr9 s SER 80 N -0.07 6.99 0.40 6.66 0.01 0.11 -4.93 113.70 122.89 2wr9 s SER 80 Ca 0.53 1.54 -0.26 0.00 1.31 0.00 0.00 55.95 59.07 2wr9 s SER 80 Cb -0.37 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.31 2wr9 s SER 80 CO 0.43 -0.17 1.29 0.00 0.41 0.00 0.00 173.24 175.19 2wr9 s ALA 81 N -1.87 3.25 0.18 1.44 0.00 -1.09 -4.72 121.76 118.94 2wr9 s ALA 81 Ca 0.53 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2wr9 s ALA 81 Cb -0.13 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2wr9 s ALA 81 CO 0.18 -0.80 -0.02 0.95 0.00 0.00 0.00 175.76 176.07 2wr9 s THR 82 N -1.27 0.85 -0.06 0.00 -4.23 -1.26 -1.16 115.64 108.51 2wr9 s THR 82 Ca 0.57 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 2wr9 s THR 82 Cb -0.37 -2.09 0.02 0.00 1.34 0.00 0.00 72.50 71.40 2wr9 s THR 82 CO 0.48 -0.52 0.23 -0.62 -0.54 0.00 0.00 174.62 173.65 2wr9 s ASP 83 N -3.19 -0.18 0.02 3.99 -1.08 -0.50 -4.56 116.67 111.17 2wr9 s ASP 83 Ca 0.23 0.25 -0.02 0.00 -0.52 0.00 0.00 52.55 52.49 2wr9 s ASP 83 Cb 0.05 0.40 -0.02 0.00 -1.46 0.00 0.00 42.92 41.90 2wr9 s ASP 83 CO 0.04 -0.22 0.02 0.00 0.52 0.00 0.00 175.17 175.53 2wr9 s ALA 84 N -0.50 0.02 0.00 3.66 0.00 -0.64 -1.15 121.76 123.15 2wr9 s ALA 84 Ca -0.06 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 2wr9 s ALA 84 Cb -0.04 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.27 2wr9 s ALA 84 CO 0.01 -0.20 0.32 -0.98 0.00 0.00 0.00 175.76 174.91 2wr9 s ARG 85 N -1.74 0.73 0.19 0.00 1.70 -0.04 -2.40 118.95 117.38 2wr9 s ARG 85 Ca -0.13 -0.28 -0.10 0.00 -0.47 0.00 0.00 55.73 54.75 2wr9 s ARG 85 Cb -0.07 0.32 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 2wr9 s ARG 85 CO -0.01 -0.21 0.52 -0.51 -1.08 0.00 0.00 175.30 174.01 2wr9 s LEU 86 N -1.56 4.23 -0.41 -1.89 1.43 -1.26 -0.58 118.68 118.64 2wr9 s LEU 86 Ca -0.11 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 2wr9 s LEU 86 Cb -0.04 -3.49 0.26 0.00 0.03 0.00 0.00 46.19 42.95 2wr9 s LEU 86 CO 0.02 0.00 0.64 0.00 0.23 0.00 0.00 176.35 177.25 2wr9 n ALA 87 N 0.20 1.36 -1.77 4.21 0.00 -0.17 -4.95 120.51 119.40 2wr9 n ALA 87 Ca -0.02 -2.85 -0.36 0.00 0.00 0.00 0.00 53.44 50.21 2wr9 n ALA 87 Cb 0.52 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.02 2wr9 n ALA 87 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wr9 s PRO 88 N -0.78 3.37 -0.40 0.00 0.04 -1.26 -3.92 135.00 132.06 2wr9 s PRO 88 Ca 0.34 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.94 2wr9 s PRO 88 Cb 0.20 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2wr9 s PRO 88 CO -0.14 -0.85 0.33 0.42 0.04 0.00 0.00 177.00 176.79 2wr9 s ILE 89 N -1.67 5.22 -0.44 0.56 1.01 0.27 -4.95 121.20 121.20 2wr9 s ILE 89 Ca 0.71 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.80 2wr9 s ILE 89 Cb -0.27 -3.92 0.09 0.00 0.01 0.00 0.00 42.46 38.38 2wr9 s ILE 89 CO 0.31 -0.28 0.30 0.20 0.00 0.00 0.00 174.94 175.47 2wr9 s ASN 90 N 1.72 5.70 0.00 3.58 0.01 -1.26 -1.12 114.94 123.57 2wr9 s ASN 90 Ca 0.07 -1.62 0.00 0.00 -0.71 0.00 0.00 52.86 50.60 2wr9 s ASN 90 Cb -0.18 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.47 2wr9 s ASN 90 CO 0.11 -0.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.71 2wr9 n GLY 91 N 4.94 4.24 2.89 0.66 0.00 0.12 -4.96 105.19 113.08 2wr9 n GLY 91 Ca -0.10 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 2wr9 n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wr9 s LYS 92 N -1.91 0.07 1.14 1.61 2.20 -1.26 -0.93 119.74 120.66 2wr9 s LYS 92 Ca 0.00 0.37 -0.13 0.00 -0.36 0.00 0.00 55.97 55.84 2wr9 s LYS 92 Cb 0.00 -0.20 0.27 0.00 -1.51 0.00 0.00 37.83 36.39 2wr9 s LYS 92 CO 0.00 -0.18 1.04 0.15 -0.36 0.00 0.00 175.35 176.00 2wr9 s LYS 93 N 1.28 -0.76 0.26 4.03 1.02 0.21 -4.87 119.74 120.91 2wr9 s LYS 93 Ca -0.08 0.69 -0.04 0.00 0.02 0.00 0.00 55.97 56.56 2wr9 s LYS 93 Cb -0.12 -1.58 0.35 0.00 -0.52 0.00 0.00 37.83 35.95 2wr9 s LYS 93 CO -0.06 -3.57 1.92 0.66 -0.92 0.00 0.00 175.35 173.38 2wr9 h SER 94 N -2.51 1.09 0.00 2.83 4.64 -2.01 -0.81 113.55 116.77 2wr9 h SER 94 Ca -0.60 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2wr9 h SER 94 Cb 1.34 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2wr9 h SER 94 CO 0.52 0.75 0.00 -0.90 -0.87 0.00 0.00 176.83 176.33 2wr9 n ASP 95 N -4.43 0.00 0.00 4.97 5.68 -1.26 -4.85 116.55 116.66 2wr9 n ASP 95 Ca 0.13 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.73 2wr9 n ASP 95 Cb 0.08 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 2wr9 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wr9 n GLY 96 N 0.22 0.93 3.77 6.12 0.00 -0.31 -5.05 105.19 110.88 2wr9 n GLY 96 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2wr9 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr9 s SER 97 N -2.99 7.41 0.41 1.61 1.04 -1.26 -4.68 113.70 115.24 2wr9 s SER 97 Ca 0.00 1.77 -0.23 0.00 0.48 0.00 0.00 55.95 57.97 2wr9 s SER 97 Cb 0.00 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.47 2wr9 s SER 97 CO 0.00 0.09 0.99 -2.16 0.98 0.00 0.00 173.24 173.13 2wr9 s PRO 98 N -1.54 4.21 0.16 4.02 0.04 -1.26 -0.62 135.00 140.01 2wr9 s PRO 98 Ca 0.43 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.81 2wr9 s PRO 98 Cb -0.22 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 2wr9 s PRO 98 CO 0.27 -0.06 -0.12 -0.59 0.04 0.00 0.00 177.00 176.53 2wr9 s PHE 99 N -1.91 1.40 -0.03 0.56 -0.12 -0.11 -4.87 117.98 112.90 2wr9 s PHE 99 Ca 0.60 -0.68 0.01 0.00 -0.05 0.00 0.00 56.93 56.81 2wr9 s PHE 99 Cb -0.15 -0.69 0.02 0.00 -0.63 0.00 0.00 43.02 41.57 2wr9 s PHE 99 CO 0.20 0.17 -0.03 0.99 -0.05 0.00 0.00 175.22 176.49 2wr9 s THR 100 N -3.07 0.38 -0.19 -4.49 2.01 -1.26 -0.70 115.64 108.33 2wr9 s THR 100 Ca 0.17 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2wr9 s THR 100 Cb 0.01 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.12 2wr9 s THR 100 CO 0.03 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.29 2wr9 s VAL 101 N 0.83 1.91 0.07 3.82 1.01 -0.27 -4.76 120.40 123.01 2wr9 s VAL 101 Ca -0.10 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 60.77 2wr9 s VAL 101 Cb -0.13 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 2wr9 s VAL 101 CO -0.00 0.39 0.47 0.20 0.00 0.00 0.00 175.10 176.15 2wr9 s ASN 102 N 1.32 6.80 0.02 3.32 0.01 0.60 -0.57 114.94 126.45 2wr9 s ASN 102 Ca 0.02 0.98 0.01 0.00 -0.71 0.00 0.00 52.86 53.17 2wr9 s ASN 102 Cb -0.14 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 2wr9 s ASN 102 CO -0.11 0.21 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.28 2wr9 s PHE 103 N -1.29 0.49 0.02 2.20 0.08 -1.25 -1.78 117.98 116.45 2wr9 s PHE 103 Ca 0.31 -0.36 0.06 0.00 0.12 0.00 0.00 56.93 57.06 2wr9 s PHE 103 Cb -0.16 -0.30 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2wr9 s PHE 103 CO 0.17 -0.08 -0.17 0.20 -0.10 0.00 0.00 175.22 175.24 2wr9 s GLY 104 N -1.06 0.89 -0.05 4.36 0.00 0.05 -0.99 107.32 110.51 2wr9 s GLY 104 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.83 2wr9 s GLY 104 CO -0.00 -0.76 -0.10 -0.42 0.00 0.00 0.00 173.10 171.81 2wr9 s ILE 105 N -0.64 0.96 -0.05 0.90 1.01 0.25 -0.40 121.20 123.23 2wr9 s ILE 105 Ca 0.05 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2wr9 s ILE 105 Cb -0.07 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 2wr9 s ILE 105 CO 0.01 0.31 -0.21 -0.69 0.00 0.00 0.00 174.94 174.36 2wr9 s VAL 106 N 0.48 1.70 0.26 2.92 1.01 -0.18 -0.86 120.40 125.73 2wr9 s VAL 106 Ca -0.09 -0.87 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2wr9 s VAL 106 Cb -0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2wr9 s VAL 106 CO 0.02 0.48 -0.10 0.68 0.00 0.00 0.00 175.10 176.18 2wr9 s VAL 107 N -0.07 1.76 0.06 2.92 -7.23 -0.30 -1.39 120.40 116.15 2wr9 s VAL 107 Ca -0.03 -2.18 -0.12 0.00 -1.81 0.00 0.00 61.98 57.84 2wr9 s VAL 107 Cb -0.12 -2.31 0.01 0.00 0.56 0.00 0.00 36.38 34.52 2wr9 s VAL 107 CO 0.03 -0.40 0.27 -0.94 -0.31 0.00 0.00 175.10 173.74 2wr9 s SER 108 N -3.41 -0.05 -0.08 4.85 1.04 -0.94 -1.41 113.70 113.71 2wr9 s SER 108 Ca 0.27 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.40 2wr9 s SER 108 Cb 0.01 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2wr9 s SER 108 CO 0.11 -0.64 -0.10 -0.70 0.98 0.00 0.00 173.24 172.88 2wr9 s GLU 109 N -2.87 1.58 0.00 4.02 2.56 -0.31 -1.84 118.70 121.84 2wr9 s GLU 109 Ca -0.03 -0.34 0.27 0.00 0.00 0.00 0.00 54.97 54.87 2wr9 s GLU 109 Cb 0.00 -1.40 0.86 0.00 2.00 0.00 0.00 34.13 35.59 2wr9 s GLU 109 CO -0.05 -0.06 1.63 -0.40 -0.56 0.00 0.00 175.26 175.81 2wr9 n ASP 110 N 4.13 1.34 0.00 -1.70 5.68 -1.26 -2.69 116.55 122.05 2wr9 n ASP 110 Ca -0.20 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 2wr9 n ASP 110 Cb 0.51 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 2wr9 n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wr9 n GLY 111 N 1.26 1.83 0.19 6.12 0.00 -1.26 -4.95 105.19 108.38 2wr9 n GLY 111 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2wr9 n GLY 111 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2wr9 h HIS 112 N 0.00 0.00 -0.42 1.61 3.86 -2.03 -3.47 115.15 114.70 2wr9 h HIS 112 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wr9 h HIS 112 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2wr9 h HIS 112 CO 0.00 0.20 0.00 -0.40 0.86 0.00 0.00 177.93 178.59 2wr9 n ASP 113 N -3.16 0.00 -0.07 2.45 5.68 -1.26 -5.07 116.55 115.12 2wr9 n ASP 113 Ca 0.03 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.41 2wr9 n ASP 113 Cb 0.58 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.69 2wr9 n ASP 113 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2wr9 n SER 114 N 0.00 2.31 0.23 -1.12 7.64 -1.26 -4.82 113.62 116.61 2wr9 n SER 114 Ca 0.00 -3.00 0.13 0.00 1.01 0.00 0.00 58.87 57.01 2wr9 n SER 114 Cb 0.00 -0.40 0.30 0.00 -1.01 0.00 0.00 64.21 63.11 2wr9 n SER 114 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2wr9 h ASP 115 N 0.00 0.00 -3.35 6.43 3.04 -1.97 -3.47 116.42 117.10 2wr9 h ASP 115 Ca 0.00 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.52 2wr9 h ASP 115 Cb 0.96 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.23 2wr9 h ASP 115 CO 0.00 0.01 -0.33 -1.22 -2.04 0.00 0.00 179.24 175.66 2wr9 n TYR 116 N -3.10 -1.20 -0.65 4.15 4.02 -1.26 -4.82 117.16 114.29 2wr9 n TYR 116 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.98 2wr9 n TYR 116 Cb 0.47 -2.85 0.12 0.00 -0.02 0.00 0.00 39.34 37.06 2wr9 n TYR 116 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2wr9 n ASN 117 N -1.62 2.54 -0.03 7.72 0.23 -1.19 -3.45 115.26 119.46 2wr9 n ASN 117 Ca -0.15 -2.65 -0.14 0.00 -0.53 0.00 0.00 54.58 51.11 2wr9 n ASN 117 Cb 0.59 -0.30 -0.10 0.00 -2.08 0.00 0.00 39.78 37.89 2wr9 n ASN 117 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wr9 h ASP 118 N 0.48 0.16 -3.33 0.53 3.32 -1.52 -3.00 116.42 113.06 2wr9 h ASP 118 Ca 0.00 -0.67 -0.52 0.00 0.02 0.00 0.00 57.03 55.87 2wr9 h ASP 118 Cb 0.90 -0.05 -0.35 0.00 0.22 0.00 0.00 39.33 40.05 2wr9 h ASP 118 CO 0.03 0.80 -0.81 -0.83 -1.72 0.00 0.00 179.24 176.71 2wr9 s GLY 119 N -3.65 0.81 -0.02 2.75 0.00 -1.25 -1.31 107.32 104.65 2wr9 s GLY 119 Ca -0.16 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.14 2wr9 s GLY 119 CO 0.72 0.36 -0.13 -0.42 0.00 0.00 0.00 173.10 173.63 2wr9 s ILE 120 N 1.03 1.04 -0.01 0.90 1.01 -0.50 -2.20 121.20 122.46 2wr9 s ILE 120 Ca -0.08 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.09 2wr9 s ILE 120 Cb -0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2wr9 s ILE 120 CO -0.01 0.30 -0.16 -0.69 0.00 0.00 0.00 174.94 174.39 2wr9 s VAL 121 N -0.10 1.26 -0.13 2.92 1.01 -0.48 -1.92 120.40 122.96 2wr9 s VAL 121 Ca 0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.33 2wr9 s VAL 121 Cb -0.07 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2wr9 s VAL 121 CO 0.00 0.36 -0.20 -0.69 0.00 0.00 0.00 175.10 174.57 2wr9 s VAL 122 N -0.36 1.91 -0.04 2.92 1.01 0.47 -1.01 120.40 125.30 2wr9 s VAL 122 Ca 0.06 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2wr9 s VAL 122 Cb -0.06 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 2wr9 s VAL 122 CO -0.01 0.52 0.16 -0.76 0.00 0.00 0.00 175.10 175.01 2wr9 s LEU 123 N 0.83 4.32 -0.10 3.92 1.43 0.46 0.15 118.68 129.69 2wr9 s LEU 123 Ca -0.08 0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2wr9 s LEU 123 Cb -0.15 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.70 2wr9 s LEU 123 CO -0.01 0.31 0.26 -1.58 0.23 0.00 0.00 176.35 175.56 2wr9 s GLN 124 N -1.62 0.27 0.12 1.70 -0.44 -0.44 -0.77 119.66 118.48 2wr9 s GLN 124 Ca 0.23 0.44 -0.17 0.00 -2.50 0.00 0.00 55.36 53.35 2wr9 s GLN 124 Cb -0.12 0.04 0.04 0.00 -1.64 0.00 0.00 33.01 31.33 2wr9 s GLN 124 CO 0.13 -0.09 0.44 1.67 0.50 0.00 0.00 175.29 177.94 2wr9 s TRP 125 N 0.61 -0.27 0.85 1.67 -2.14 -0.73 -0.52 118.94 118.41 2wr9 s TRP 125 Ca -0.04 -0.01 -0.12 0.00 2.66 0.00 0.00 56.10 58.60 2wr9 s TRP 125 Cb -0.05 0.31 0.10 0.00 -3.10 0.00 0.00 33.47 30.73 2wr9 s TRP 125 CO -0.04 -0.72 1.12 -1.25 -2.66 0.00 0.00 176.95 173.41 2wr9 s PRO 126 N -3.68 1.65 0.50 3.25 0.04 -1.26 -0.29 135.00 135.22 2wr9 s PRO 126 Ca 0.02 0.44 0.01 0.00 0.04 0.00 0.00 61.00 61.51 2wr9 s PRO 126 Cb 0.01 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 2wr9 s PRO 126 CO -0.11 -1.88 0.04 0.96 0.04 0.00 0.00 177.00 176.05 2wr9 s ILE 127 N -3.24 0.90 0.00 0.56 -4.36 -1.26 -4.96 121.20 108.84 2wr9 s ILE 127 Ca 0.62 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 2wr9 s ILE 127 Cb -0.14 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.48 2wr9 s ILE 127 CO 0.53 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.32