#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr9 s SER 7 N 0.00 1.24 0.08 4.04 1.04 -1.26 -1.26 113.70 117.58 2wr9 s SER 7 Ca 0.00 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 2wr9 s SER 7 Cb 0.00 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2wr9 s SER 7 CO 0.00 -0.36 0.08 0.54 0.98 0.00 0.00 173.24 174.48 2wr9 s ASN 8 N -2.69 0.31 0.49 7.02 2.20 -0.74 -5.00 114.94 116.53 2wr9 s ASN 8 Ca 0.08 -0.92 0.34 0.00 -0.94 0.00 0.00 52.86 51.41 2wr9 s ASN 8 Cb 0.01 0.28 1.46 0.00 -2.00 0.00 0.00 41.25 40.99 2wr9 s ASN 8 CO -0.02 -0.69 1.71 0.03 -2.94 0.00 0.00 177.10 175.19 2wr9 h ARG 9 N 2.93 0.10 0.00 3.55 -0.00 -1.89 0.22 114.38 119.29 2wr9 h ARG 9 Ca -0.34 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 2wr9 h ARG 9 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 31.12 2wr9 h ARG 9 CO 0.60 0.07 0.00 0.00 0.00 0.00 0.00 179.97 180.64 2wr9 n ALA 10 N -2.67 2.18 -3.01 0.04 0.00 -1.26 -2.95 120.51 112.84 2wr9 n ALA 10 Ca 0.32 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 2wr9 n ALA 10 Cb 1.36 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 0.33 0.10 3.34 0.00 0.00 0.76 -4.75 105.19 104.97 2wr9 n GLY 11 Ca 0.13 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -5.44 2.27 0.03 1.61 2.02 -1.24 -1.93 118.70 116.02 2wr9 s GLU 12 Ca 0.23 -0.88 0.08 0.00 0.02 0.00 0.00 54.97 54.42 2wr9 s GLU 12 Cb -0.10 -2.13 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 2wr9 s GLU 12 CO 0.40 0.54 -0.23 -0.06 0.02 0.00 0.00 175.26 175.94 2wr9 s PHE 13 N -0.56 2.00 -0.31 1.61 0.08 -0.01 -1.79 117.98 119.00 2wr9 s PHE 13 Ca 0.08 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 2wr9 s PHE 13 Cb -0.11 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.18 2wr9 s PHE 13 CO 0.00 0.08 0.04 0.45 -0.10 0.00 0.00 175.22 175.69 2wr9 s SER 14 N -1.08 5.04 0.44 1.36 0.15 -0.39 -0.64 113.70 118.58 2wr9 s SER 14 Ca 0.09 -1.18 0.06 0.00 0.70 0.00 0.00 55.95 55.62 2wr9 s SER 14 Cb -0.09 -1.78 -0.06 0.00 -1.71 0.00 0.00 66.02 62.38 2wr9 s SER 14 CO 0.01 -0.28 0.03 0.27 1.20 0.00 0.00 173.24 174.48 2wr9 s ILE 15 N 1.33 1.81 0.30 6.45 -4.36 0.17 0.17 121.20 127.08 2wr9 s ILE 15 Ca -0.03 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.10 2wr9 s ILE 15 Cb -0.19 -2.77 -0.11 0.00 1.25 0.00 0.00 42.46 40.64 2wr9 s ILE 15 CO 0.00 0.00 1.57 -2.84 0.24 0.00 0.00 174.94 173.91 2wr9 s PRO 16 N -3.79 4.13 0.80 0.37 0.02 -1.26 -4.46 135.00 130.82 2wr9 s PRO 16 Ca 0.28 2.56 -0.13 0.00 0.02 0.00 0.00 61.00 63.73 2wr9 s PRO 16 Cb 0.07 -3.02 0.08 0.00 0.02 0.00 0.00 34.50 31.65 2wr9 s PRO 16 CO 0.15 -0.60 1.19 -2.14 -0.33 0.00 0.00 177.00 175.27 2wr9 s PRO 17 N -0.75 1.71 -1.32 5.54 0.02 -1.26 -3.70 135.00 135.23 2wr9 s PRO 17 Ca 0.61 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 63.33 2wr9 s PRO 17 Cb -0.47 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.27 2wr9 s PRO 17 CO 0.50 -2.15 0.74 0.09 -0.33 0.00 0.00 177.00 175.85 2wr9 n ASN 18 N -3.27 -1.54 -3.90 2.53 5.03 0.27 -4.91 115.26 109.45 2wr9 n ASN 18 Ca 0.13 -0.81 -0.23 0.00 0.87 0.00 0.00 54.58 54.54 2wr9 n ASN 18 Cb 0.51 -4.09 -0.17 0.00 -1.02 0.00 0.00 39.78 35.01 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 -3.63 0.78 0.29 3.41 2.01 -1.24 -4.91 115.64 112.35 2wr9 s THR 19 Ca 0.06 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2wr9 s THR 19 Cb -0.03 -0.80 -0.10 0.00 0.01 0.00 0.00 72.50 71.59 2wr9 s THR 19 CO 0.81 0.30 1.10 -1.81 -0.69 0.00 0.00 174.62 174.33 2wr9 s ASP 20 N 1.26 7.21 0.06 3.53 1.01 -1.26 -0.90 116.67 127.58 2wr9 s ASP 20 Ca -0.05 2.26 -0.07 0.00 0.71 0.00 0.00 52.55 55.40 2wr9 s ASP 20 Cb -0.14 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 2wr9 s ASP 20 CO -0.02 -0.18 0.14 0.72 0.21 0.00 0.00 175.17 176.03 2wr9 s PHE 21 N -1.20 0.20 0.22 4.23 -0.12 -0.11 -4.51 117.98 116.68 2wr9 s PHE 21 Ca 0.46 -0.58 -0.20 0.00 -0.05 0.00 0.00 56.93 56.56 2wr9 s PHE 21 Cb -0.31 -0.12 -0.08 0.00 -0.63 0.00 0.00 43.02 41.87 2wr9 s PHE 21 CO 0.40 -0.46 0.72 1.03 -0.05 0.00 0.00 175.22 176.87 2wr9 s ARG 22 N -3.35 4.26 -0.14 1.99 1.81 -0.47 -1.74 118.95 121.30 2wr9 s ARG 22 Ca 0.01 0.87 0.00 0.00 -1.72 0.00 0.00 55.73 54.90 2wr9 s ARG 22 Cb 0.03 -2.89 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 2wr9 s ARG 22 CO -0.08 0.40 -0.13 0.00 -0.68 0.00 0.00 175.30 174.81 2wr9 s ALA 23 N -1.51 1.76 -0.18 2.13 0.00 -0.25 -1.08 121.76 122.63 2wr9 s ALA 23 Ca 0.43 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 51.49 2wr9 s ALA 23 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2wr9 s ALA 23 CO 0.21 -0.41 -0.01 0.42 0.00 0.00 0.00 175.76 175.97 2wr9 s ILE 24 N 1.53 4.01 -0.06 0.00 -1.09 0.10 -0.96 121.20 124.73 2wr9 s ILE 24 Ca 0.05 -0.30 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 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 -0.10 0.45 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.58 2wr9 s PHE 25 N 0.71 2.76 0.23 3.97 0.08 0.20 -0.48 117.98 125.45 2wr9 s PHE 25 Ca -0.00 -0.14 -0.22 0.00 0.12 0.00 0.00 56.93 56.68 2wr9 s PHE 25 Cb -0.14 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2wr9 s PHE 25 CO 0.02 0.20 0.72 -0.59 -0.10 0.00 0.00 175.22 175.48 2wr9 s PHE 26 N -0.69 -0.27 0.02 0.36 -0.12 -0.87 -1.39 117.98 115.02 2wr9 s PHE 26 Ca 0.10 -0.10 0.01 0.00 -0.05 0.00 0.00 56.93 56.89 2wr9 s PHE 26 Cb -0.11 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2wr9 s PHE 26 CO 0.01 -1.08 -0.04 0.00 -0.05 0.00 0.00 175.22 174.06 2wr9 s ALA 27 N -3.78 0.24 -0.68 1.99 0.00 -1.26 -1.27 121.76 117.00 2wr9 s ALA 27 Ca 0.09 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2wr9 s ALA 27 Cb -0.04 0.07 0.22 0.00 0.00 0.00 0.00 23.12 23.37 2wr9 s ALA 27 CO 0.01 -0.07 0.67 0.09 0.00 0.00 0.00 175.76 176.47 2wr9 n ASN 28 N 1.99 3.57 -3.54 0.00 3.02 -0.60 -3.65 115.26 116.06 2wr9 n ASN 28 Ca -0.20 -3.35 -0.17 0.00 -0.03 0.00 0.00 54.58 50.83 2wr9 n ASN 28 Cb 0.56 -0.73 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 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 -2.09 -1.62 0.10 5.41 0.00 -1.26 -4.26 121.76 118.05 2wr9 s ALA 29 Ca 0.34 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.40 2wr9 s ALA 29 Cb 0.07 0.13 -0.24 0.00 0.00 0.00 0.00 23.12 23.09 2wr9 s ALA 29 CO -0.07 -0.41 1.21 0.00 0.00 0.00 0.00 175.76 176.48 2wr9 h ALA 30 N 2.96 0.27 -2.62 0.00 0.00 -1.96 -1.22 119.26 116.69 2wr9 h ALA 30 Ca -0.28 -0.92 -0.56 0.00 0.00 0.00 0.00 54.91 53.14 2wr9 h ALA 30 Cb 1.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2wr9 h ALA 30 CO 0.39 1.16 -0.21 -1.21 0.00 0.00 0.00 179.25 179.38 2wr9 s GLU 31 N -2.69 3.74 0.04 0.00 2.02 -1.26 -4.87 118.70 115.68 2wr9 s GLU 31 Ca -0.01 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.82 2wr9 s GLU 31 Cb 0.09 -2.80 -0.09 0.00 0.10 0.00 0.00 34.13 31.43 2wr9 s GLU 31 CO 0.84 0.42 1.94 -0.65 0.02 0.00 0.00 175.26 177.83 2wr9 s GLN 32 N -2.54 4.14 -0.39 1.61 -0.21 -1.26 -4.65 119.66 116.37 2wr9 s GLN 32 Ca 0.42 2.59 -0.20 0.00 0.02 0.00 0.00 55.36 58.18 2wr9 s GLN 32 Cb -0.12 -4.11 0.01 0.00 1.00 0.00 0.00 33.01 29.79 2wr9 s GLN 32 CO 0.22 -0.94 0.62 -0.65 -2.12 0.00 0.00 175.29 172.42 2wr9 s GLN 33 N 4.31 3.52 -0.63 2.91 -1.52 0.49 -4.52 119.66 124.22 2wr9 s GLN 33 Ca 0.87 -0.14 -0.23 0.00 -1.95 0.00 0.00 55.36 53.91 2wr9 s GLN 33 Cb -0.42 -3.86 0.06 0.00 -0.22 0.00 0.00 33.01 28.56 2wr9 s GLN 33 CO 0.40 -0.83 0.97 -1.01 -0.25 0.00 0.00 175.29 174.58 2wr9 s HIS 34 N 2.71 2.69 -0.22 0.91 3.76 -0.53 -1.04 115.29 123.57 2wr9 s HIS 34 Ca 0.23 -0.37 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 2wr9 s HIS 34 Cb -0.14 -4.24 -0.01 0.00 1.11 0.00 0.00 32.58 29.30 2wr9 s HIS 34 CO 0.16 -1.58 -0.02 0.42 -0.85 0.00 0.00 174.74 172.87 2wr9 s ILE 35 N 4.11 3.59 -0.01 0.60 1.01 0.31 -1.69 121.20 129.12 2wr9 s ILE 35 Ca 0.25 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.56 2wr9 s ILE 35 Cb -0.15 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 2wr9 s ILE 35 CO 0.13 0.41 -0.25 -0.54 0.00 0.00 0.00 174.94 174.69 2wr9 s LYS 36 N 1.40 2.00 -0.14 2.79 1.02 -0.18 -1.59 119.74 125.04 2wr9 s LYS 36 Ca 0.05 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2wr9 s LYS 36 Cb -0.14 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 35.22 2wr9 s LYS 36 CO -0.01 0.54 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.61 2wr9 s LEU 37 N -0.66 1.85 0.02 3.17 0.20 -0.35 -1.76 118.68 121.14 2wr9 s LEU 37 Ca 0.10 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.43 2wr9 s LEU 37 Cb -0.10 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 2wr9 s LEU 37 CO -0.01 -0.00 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.62 2wr9 s PHE 38 N 1.20 2.86 -0.11 5.38 0.08 0.90 -0.36 117.98 127.92 2wr9 s PHE 38 Ca -0.00 -0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.02 2wr9 s PHE 38 Cb -0.14 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 2wr9 s PHE 38 CO -0.07 0.37 -0.23 0.42 -0.10 0.00 0.00 175.22 175.61 2wr9 s ILE 39 N -1.02 2.13 0.00 0.64 1.01 -1.26 -1.11 121.20 121.59 2wr9 s ILE 39 Ca 0.17 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2wr9 s ILE 39 Cb -0.11 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.53 2wr9 s ILE 39 CO 0.08 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2wr9 n GLY 40 N 3.69 2.71 0.89 6.18 0.00 -0.19 -2.98 105.19 115.49 2wr9 n GLY 40 Ca -0.19 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.45 2.62 -4.68 1.61 8.00 -1.26 -4.90 116.55 118.39 2wr9 n ASP 41 Ca 0.00 -1.90 -0.44 0.00 0.71 0.00 0.00 54.79 53.16 2wr9 n ASP 41 Cb 0.00 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 2wr9 n ASP 41 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2wr9 n SER 42 N 0.94 2.66 0.18 -2.24 2.88 -1.16 -4.90 113.62 111.97 2wr9 n SER 42 Ca 0.18 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.91 2wr9 n SER 42 Cb 0.46 -1.44 0.35 0.00 -0.75 0.00 0.00 64.21 62.83 2wr9 n SER 42 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2wr9 h GLN 43 N 3.33 0.03 -5.89 -1.46 -0.00 -1.94 -3.45 115.11 105.73 2wr9 h GLN 43 Ca -0.45 -0.01 -0.67 0.00 -0.00 0.00 0.00 58.65 57.52 2wr9 h GLN 43 Cb 1.28 -0.00 -0.11 0.00 0.00 0.00 0.00 27.48 28.66 2wr9 h GLN 43 CO 0.69 0.38 -0.56 -1.21 0.00 0.00 0.00 178.83 178.13 2wr9 s GLU 44 N -4.23 3.15 0.38 1.69 0.41 -1.26 -5.07 118.70 113.77 2wr9 s GLU 44 Ca -0.03 -0.36 -0.28 0.00 -0.41 0.00 0.00 54.97 53.90 2wr9 s GLU 44 Cb 0.14 -2.94 -0.10 0.00 -1.78 0.00 0.00 34.13 29.46 2wr9 s GLU 44 CO 0.73 0.70 1.39 -1.25 -0.49 0.00 0.00 175.26 176.34 2wr9 s PRO 45 N -1.27 4.10 0.33 0.39 0.04 -1.26 -4.76 135.00 132.57 2wr9 s PRO 45 Ca 0.18 2.37 0.14 0.00 0.04 0.00 0.00 61.00 63.73 2wr9 s PRO 45 Cb -0.12 -2.92 0.54 0.00 0.04 0.00 0.00 34.50 32.04 2wr9 s PRO 45 CO 0.08 -0.46 1.69 0.00 0.04 0.00 0.00 177.00 178.34 2wr9 h ALA 46 N 2.97 1.04 -2.79 8.56 0.00 -1.06 -3.45 119.26 124.53 2wr9 h ALA 46 Ca -0.50 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 53.83 2wr9 h ALA 46 Cb 1.24 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.72 2wr9 h ALA 46 CO 0.64 0.61 -0.33 0.00 0.00 0.00 0.00 179.25 180.18 2wr9 s ALA 47 N -3.69 -0.76 -0.12 0.00 0.00 -1.12 -5.01 121.76 111.05 2wr9 s ALA 47 Ca -0.01 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 2wr9 s ALA 47 Cb 0.12 -0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.02 2wr9 s ALA 47 CO 0.73 -0.19 0.28 -0.47 0.00 0.00 0.00 175.76 176.10 2wr9 s TYR 48 N -0.44 -0.41 -0.01 0.00 5.04 -1.26 -1.22 117.35 119.05 2wr9 s TYR 48 Ca -0.06 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 55.53 2wr9 s TYR 48 Cb -0.04 0.05 -0.00 0.00 0.35 0.00 0.00 41.96 42.32 2wr9 s TYR 48 CO 0.02 -0.30 -0.07 -1.01 -1.34 0.00 0.00 175.55 172.85 2wr9 s HIS 49 N 1.73 0.61 -0.39 4.97 3.76 -0.62 -5.00 115.29 120.35 2wr9 s HIS 49 Ca -0.05 -0.12 -0.09 0.00 -0.15 0.00 0.00 55.06 54.65 2wr9 s HIS 49 Cb -0.11 -0.40 0.06 0.00 1.11 0.00 0.00 32.58 33.24 2wr9 s HIS 49 CO -0.09 -0.02 0.21 0.15 -0.85 0.00 0.00 174.74 174.14 2wr9 s LYS 50 N -0.13 2.65 0.01 1.40 1.02 -1.26 -0.53 119.74 122.91 2wr9 s LYS 50 Ca 0.02 -1.31 0.05 0.00 0.02 0.00 0.00 55.97 54.75 2wr9 s LYS 50 Cb -0.03 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 2wr9 s LYS 50 CO -0.00 -0.83 -0.15 -0.51 -0.92 0.00 0.00 175.35 172.94 2wr9 s LEU 51 N 1.45 2.09 0.50 3.17 1.43 -0.20 -4.85 118.68 122.27 2wr9 s LEU 51 Ca 0.02 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2wr9 s LEU 51 Cb -0.21 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 2wr9 s LEU 51 CO 0.03 0.12 0.17 0.42 0.23 0.00 0.00 176.35 177.32 2wr9 s THR 52 N -0.57 1.57 0.31 5.49 -4.23 -1.26 -0.38 115.64 116.57 2wr9 s THR 52 Ca 0.04 -1.78 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 2wr9 s THR 52 Cb -0.07 -2.35 0.30 0.00 1.34 0.00 0.00 72.50 71.72 2wr9 s THR 52 CO 0.00 0.00 1.76 0.74 -0.54 0.00 0.00 174.62 176.58 2wr9 h THR 53 N 1.19 0.66 0.00 3.99 2.02 -1.28 -1.61 112.91 117.87 2wr9 h THR 53 Ca -0.41 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2wr9 h THR 53 Cb 1.30 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2wr9 h THR 53 CO 0.68 0.13 -0.03 0.03 0.37 0.00 0.00 175.52 176.70 2wr9 h ARG 54 N 0.71 0.00 0.00 6.66 3.08 -1.88 -2.90 114.38 120.05 2wr9 h ARG 54 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 2wr9 h ARG 54 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2wr9 h ARG 54 CO -0.41 0.03 -0.11 -0.44 -1.07 0.00 0.00 179.97 177.97 2wr9 h ASP 55 N 0.00 0.00 0.00 7.04 3.32 -1.68 -3.49 116.42 121.61 2wr9 h ASP 55 Ca -0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2wr9 h ASP 55 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2wr9 h ASP 55 CO 0.00 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 2wr9 n GLY 56 N 1.27 0.24 3.96 2.75 0.00 -1.10 -4.94 105.19 107.38 2wr9 n GLY 56 Ca 0.05 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 2.98 0.04 1.61 0.04 -1.26 -4.61 135.00 133.79 2wr9 s PRO 57 Ca 0.00 -0.61 0.02 0.00 0.04 0.00 0.00 61.00 60.45 2wr9 s PRO 57 Cb 0.00 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 2wr9 s PRO 57 CO 0.00 -0.31 -0.07 1.03 0.04 0.00 0.00 177.00 177.69 2wr9 s ARG 58 N -4.55 0.49 -0.07 4.56 1.81 -0.49 -4.96 118.95 115.75 2wr9 s ARG 58 Ca 0.50 -0.68 0.01 0.00 -1.72 0.00 0.00 55.73 53.83 2wr9 s ARG 58 Cb -0.10 -0.27 0.02 0.00 -0.45 0.00 0.00 34.95 34.16 2wr9 s ARG 58 CO 0.37 0.05 -0.06 -2.00 -0.68 0.00 0.00 175.30 172.97 2wr9 s GLU 59 N -1.42 1.18 0.11 3.54 2.12 -1.26 -0.63 118.70 122.34 2wr9 s GLU 59 Ca -0.09 -0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.13 2wr9 s GLU 59 Cb -0.09 -1.18 -0.04 0.00 0.26 0.00 0.00 34.13 33.08 2wr9 s GLU 59 CO 0.00 -0.13 -0.11 0.00 -0.54 0.00 0.00 175.26 174.48 2wr9 s ALA 60 N 1.21 2.92 -0.14 6.30 0.00 -0.14 -4.97 121.76 126.94 2wr9 s ALA 60 Ca -0.06 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.65 2wr9 s ALA 60 Cb -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.14 2wr9 s ALA 60 CO -0.02 0.62 -0.21 0.99 0.00 0.00 0.00 175.76 177.15 2wr9 s THR 61 N -1.24 2.01 0.06 0.00 2.01 -1.26 -1.09 115.64 116.12 2wr9 s THR 61 Ca 0.21 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2wr9 s THR 61 Cb -0.11 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2wr9 s THR 61 CO 0.13 0.54 0.01 -0.76 -0.69 0.00 0.00 174.62 173.85 2wr9 s LEU 62 N 0.90 2.28 -0.13 4.42 1.43 -0.71 -4.98 118.68 121.89 2wr9 s LEU 62 Ca -0.05 -0.92 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 2wr9 s LEU 62 Cb -0.15 0.35 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 2wr9 s LEU 62 CO -0.04 -0.61 0.00 0.21 0.23 0.00 0.00 176.35 176.14 2wr9 s ASN 63 N -2.86 5.18 0.08 2.29 3.84 -1.26 -0.94 114.94 121.27 2wr9 s ASN 63 Ca 0.06 0.04 0.14 0.00 0.21 0.00 0.00 52.86 53.31 2wr9 s ASN 63 Cb 0.07 -1.68 0.61 0.00 -0.55 0.00 0.00 41.25 39.70 2wr9 s ASN 63 CO -0.10 0.27 1.43 -1.54 -2.79 0.00 0.00 177.10 174.37 2wr9 n SER 64 N 2.89 0.18 0.00 -4.21 3.41 -0.08 -4.91 113.62 110.89 2wr9 n SER 64 Ca -0.18 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2wr9 n SER 64 Cb 0.53 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.40 3.66 0.00 5.00 0.00 -1.26 0.16 105.19 112.35 2wr9 n GLY 65 Ca 0.02 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.36 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 6.76 0.00 0.00 1.61 6.94 -1.26 -0.57 115.26 128.75 2wr9 n ASN 66 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 2wr9 n ASN 66 Cb 0.00 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 2wr9 n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr9 n GLY 67 N 0.54 0.22 3.53 4.83 0.00 0.12 -4.52 105.19 109.92 2wr9 n GLY 67 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.87 3.37 -0.15 1.61 -0.14 -1.26 -0.65 119.74 121.65 2wr9 s LYS 68 Ca 0.00 -0.29 -0.02 0.00 -1.36 0.00 0.00 55.97 54.31 2wr9 s LYS 68 Cb 0.00 -3.92 -0.02 0.00 -1.68 0.00 0.00 37.83 32.21 2wr9 s LYS 68 CO 0.00 -0.94 -0.09 0.42 -0.76 0.00 0.00 175.35 173.98 2wr9 s ILE 69 N 2.78 3.35 0.11 2.17 -1.09 0.18 -1.02 121.20 127.69 2wr9 s ILE 69 Ca 0.23 -0.54 0.06 0.00 -2.23 0.00 0.00 60.65 58.17 2wr9 s ILE 69 Cb -0.14 -2.45 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2wr9 s ILE 69 CO 0.18 0.50 -0.16 0.00 -1.23 0.00 0.00 174.94 174.23 2wr9 s ARG 70 N 0.51 1.02 0.01 2.79 1.70 -0.27 -0.83 118.95 123.89 2wr9 s ARG 70 Ca -0.06 -1.17 0.08 0.00 -0.47 0.00 0.00 55.73 54.10 2wr9 s ARG 70 Cb -0.15 -1.02 -0.02 0.00 -0.57 0.00 0.00 34.95 33.19 2wr9 s ARG 70 CO 0.04 0.21 -0.24 -0.06 -1.08 0.00 0.00 175.30 174.17 2wr9 s PHE 71 N -1.74 2.13 -0.03 5.89 0.08 -0.81 -0.07 117.98 123.43 2wr9 s PHE 71 Ca 0.07 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.74 2wr9 s PHE 71 Cb -0.07 -1.33 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 2wr9 s PHE 71 CO 0.03 0.04 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.89 2wr9 s GLU 72 N -0.88 1.09 -0.06 0.44 2.02 -0.72 -4.87 118.70 115.71 2wr9 s GLU 72 Ca 0.10 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.79 2wr9 s GLU 72 Cb -0.09 -0.99 0.01 0.00 0.10 0.00 0.00 34.13 33.15 2wr9 s GLU 72 CO 0.00 0.10 -0.13 0.08 0.02 0.00 0.00 175.26 175.34 2wr9 s VAL 73 N 0.28 1.16 0.02 2.63 1.01 -1.26 -1.01 120.40 123.23 2wr9 s VAL 73 Ca -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2wr9 s VAL 73 Cb -0.10 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2wr9 s VAL 73 CO 0.01 0.35 -0.08 -0.94 0.00 0.00 0.00 175.10 174.44 2wr9 s SER 74 N 0.46 0.90 -0.05 3.32 1.04 -0.68 -0.48 113.70 118.21 2wr9 s SER 74 Ca -0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2wr9 s SER 74 Cb -0.14 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2wr9 s SER 74 CO 0.03 -0.03 -0.03 -0.69 0.98 0.00 0.00 173.24 173.50 2wr9 s VAL 75 N -0.68 0.51 -1.48 5.02 1.01 -0.19 -1.46 120.40 123.14 2wr9 s VAL 75 Ca -0.02 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 2wr9 s VAL 75 Cb -0.06 -0.57 0.09 0.00 0.00 0.00 0.00 36.38 35.85 2wr9 s VAL 75 CO 0.00 0.24 0.73 0.59 0.00 0.00 0.00 175.10 176.66 2wr9 n ASN 76 N 4.33 -4.14 -0.49 3.32 3.02 -1.26 -1.16 115.26 118.88 2wr9 n ASN 76 Ca -0.20 -0.65 -0.06 0.00 -0.03 0.00 0.00 54.58 53.63 2wr9 n ASN 76 Cb 0.51 -3.37 -0.03 0.00 -0.61 0.00 0.00 39.78 36.28 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 -1.41 0.83 3.38 7.41 0.00 -1.26 -5.02 105.19 109.12 2wr9 n GLY 77 Ca 0.02 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.16 3.08 0.18 1.61 1.02 -0.31 -5.10 119.74 118.06 2wr9 s LYS 78 Ca 0.00 -0.71 -0.31 0.00 0.02 0.00 0.00 55.97 54.97 2wr9 s LYS 78 Cb 0.00 -2.51 -0.10 0.00 -0.52 0.00 0.00 37.83 34.70 2wr9 s LYS 78 CO 0.00 0.33 1.51 -1.25 -0.92 0.00 0.00 175.35 175.02 2wr9 s PRO 79 N 0.02 4.24 0.36 -1.68 0.04 -1.26 -1.02 135.00 135.71 2wr9 s PRO 79 Ca -0.05 2.31 -0.24 0.00 0.04 0.00 0.00 61.00 63.05 2wr9 s PRO 79 Cb -0.14 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 2wr9 s PRO 79 CO 0.04 -0.53 0.95 -1.12 0.04 0.00 0.00 177.00 176.38 2wr9 s SER 80 N 0.92 7.17 0.42 6.66 0.01 0.37 -4.92 113.70 124.35 2wr9 s SER 80 Ca 0.66 1.79 -0.26 0.00 1.31 0.00 0.00 55.95 59.46 2wr9 s SER 80 Cb -0.42 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.15 2wr9 s SER 80 CO 0.34 -0.19 1.38 0.00 0.41 0.00 0.00 173.24 175.19 2wr9 s ALA 81 N -1.82 3.28 0.30 1.44 0.00 -1.06 -4.73 121.76 119.18 2wr9 s ALA 81 Ca 0.55 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.94 2wr9 s ALA 81 Cb -0.15 -3.55 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2wr9 s ALA 81 CO 0.20 -1.03 -0.00 0.95 0.00 0.00 0.00 175.76 175.88 2wr9 s THR 82 N -1.22 1.44 0.09 0.00 -4.23 -1.26 -0.70 115.64 109.77 2wr9 s THR 82 Ca 0.58 -2.06 -0.18 0.00 -1.18 0.00 0.00 61.69 58.85 2wr9 s THR 82 Cb -0.42 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 70.85 2wr9 s THR 82 CO 0.54 -0.17 0.43 -0.62 -0.54 0.00 0.00 174.62 174.27 2wr9 s ASP 83 N -3.47 -0.30 0.07 3.99 -1.08 -0.60 -4.59 116.67 110.69 2wr9 s ASP 83 Ca 0.32 -0.14 -0.14 0.00 -0.52 0.00 0.00 52.55 52.08 2wr9 s ASP 83 Cb 0.06 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 42.02 2wr9 s ASP 83 CO 0.13 -0.79 0.32 0.00 0.52 0.00 0.00 175.17 175.35 2wr9 s ALA 84 N -3.23 -0.71 0.10 3.66 0.00 -1.25 -0.97 121.76 119.36 2wr9 s ALA 84 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.75 2wr9 s ALA 84 Cb 0.01 0.42 0.03 0.00 0.00 0.00 0.00 23.12 23.57 2wr9 s ALA 84 CO -0.08 -0.48 0.35 -0.98 0.00 0.00 0.00 175.76 174.58 2wr9 s ARG 85 N -2.97 0.98 0.09 0.00 1.70 0.14 -4.67 118.95 114.22 2wr9 s ARG 85 Ca -0.02 -0.70 -0.06 0.00 -0.47 0.00 0.00 55.73 54.48 2wr9 s ARG 85 Cb 0.01 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2wr9 s ARG 85 CO -0.06 -0.36 0.34 -0.51 -1.08 0.00 0.00 175.30 173.63 2wr9 s LEU 86 N -2.66 4.32 -0.42 -1.89 1.43 -1.26 -0.39 118.68 117.81 2wr9 s LEU 86 Ca 0.02 0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.80 2wr9 s LEU 86 Cb 0.02 -3.06 0.29 0.00 0.03 0.00 0.00 46.19 43.47 2wr9 s LEU 86 CO -0.10 0.13 0.79 0.00 0.23 0.00 0.00 176.35 177.40 2wr9 n ALA 87 N 0.52 0.81 -1.74 4.21 0.00 0.01 -4.96 120.51 119.36 2wr9 n ALA 87 Ca -0.06 -2.57 -0.35 0.00 0.00 0.00 0.00 53.44 50.47 2wr9 n ALA 87 Cb 0.52 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.84 3.35 -0.35 0.00 0.04 -1.26 -3.80 135.00 132.16 2wr9 s PRO 88 Ca 0.33 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.82 2wr9 s PRO 88 Cb 0.26 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.81 2wr9 s PRO 88 CO -0.12 -0.83 0.17 0.42 0.04 0.00 0.00 177.00 176.68 2wr9 s ILE 89 N -1.88 4.43 -0.34 0.56 1.01 0.18 -4.95 121.20 120.20 2wr9 s ILE 89 Ca 0.71 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 2wr9 s ILE 89 Cb -0.22 -3.40 0.02 0.00 0.01 0.00 0.00 42.46 38.87 2wr9 s ILE 89 CO 0.28 -0.12 0.14 0.20 0.00 0.00 0.00 174.94 175.45 2wr9 s ASN 90 N 1.55 5.46 0.05 3.58 0.01 -1.26 -1.38 114.94 122.95 2wr9 s ASN 90 Ca 0.02 -0.88 0.01 0.00 -0.71 0.00 0.00 52.86 51.29 2wr9 s ASN 90 Cb -0.18 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.52 2wr9 s ASN 90 CO 0.06 -0.29 0.02 0.61 -1.51 0.00 0.00 177.10 175.98 2wr9 n GLY 91 N 4.92 4.00 3.07 0.66 0.00 -0.42 -4.99 105.19 112.43 2wr9 n GLY 91 Ca -0.13 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 2wr9 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr9 s LYS 92 N -2.19 0.62 0.77 1.61 1.02 -1.26 -1.49 119.74 118.82 2wr9 s LYS 92 Ca 0.03 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.24 2wr9 s LYS 92 Cb 0.00 -0.51 0.05 0.00 -0.52 0.00 0.00 37.83 36.86 2wr9 s LYS 92 CO 0.02 0.11 1.08 0.15 -0.92 0.00 0.00 175.35 175.80 2wr9 s LYS 93 N -1.21 2.30 0.24 1.68 1.02 0.11 -4.90 119.74 118.97 2wr9 s LYS 93 Ca -0.04 0.80 -0.06 0.00 0.02 0.00 0.00 55.97 56.69 2wr9 s LYS 93 Cb -0.08 -1.93 0.41 0.00 -0.52 0.00 0.00 37.83 35.71 2wr9 s LYS 93 CO 0.01 -1.51 1.30 0.43 -0.92 0.00 0.00 175.35 174.66 2wr9 n SER 94 N -3.38 -0.28 0.00 2.83 7.64 -1.26 -0.35 113.62 118.82 2wr9 n SER 94 Ca 0.07 1.43 0.06 0.00 1.01 0.00 0.00 58.87 61.44 2wr9 n SER 94 Cb 0.55 -0.44 0.34 0.00 -1.01 0.00 0.00 64.21 63.64 2wr9 n SER 94 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2wr9 n ASP 95 N -5.34 0.00 0.00 6.43 5.68 -1.26 -4.88 116.55 117.19 2wr9 n ASP 95 Ca 0.14 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 2wr9 n ASP 95 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.64 1.03 3.75 6.12 0.00 0.53 -5.04 105.19 112.22 2wr9 n GLY 96 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.80 7.46 0.53 1.61 1.04 -1.26 -4.69 113.70 115.59 2wr9 s SER 97 Ca 0.00 2.09 -0.16 0.00 0.48 0.00 0.00 55.95 58.36 2wr9 s SER 97 Cb 0.00 -2.62 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2wr9 s SER 97 CO 0.00 0.00 1.00 -2.16 0.98 0.00 0.00 173.24 173.07 2wr9 s PRO 98 N -1.21 3.78 0.03 4.02 0.05 -1.26 -0.72 135.00 139.70 2wr9 s PRO 98 Ca 0.43 1.03 -0.01 0.00 0.05 0.00 0.00 61.00 62.50 2wr9 s PRO 98 Cb -0.29 -2.11 -0.03 0.00 0.05 0.00 0.00 34.50 32.13 2wr9 s PRO 98 CO 0.36 -0.41 -0.03 -0.59 0.05 0.00 0.00 177.00 176.38 2wr9 s PHE 99 N -2.57 0.35 -0.04 0.56 -0.12 -0.56 -4.85 117.98 110.75 2wr9 s PHE 99 Ca 0.60 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 2wr9 s PHE 99 Cb -0.12 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.04 2wr9 s PHE 99 CO 0.33 -0.26 -0.01 0.99 -0.05 0.00 0.00 175.22 176.21 2wr9 s THR 100 N -2.39 0.30 -0.16 -4.49 2.01 -1.26 -1.31 115.64 108.35 2wr9 s THR 100 Ca -0.07 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 61.97 2wr9 s THR 100 Cb -0.03 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 2wr9 s THR 100 CO -0.04 0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.27 2wr9 s VAL 101 N 1.22 3.01 -0.05 3.82 1.01 -0.48 -4.76 120.40 124.16 2wr9 s VAL 101 Ca -0.07 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 2wr9 s VAL 101 Cb -0.13 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2wr9 s VAL 101 CO -0.02 0.50 0.40 0.20 0.00 0.00 0.00 175.10 176.18 2wr9 s ASN 102 N 0.72 6.72 0.04 3.32 0.01 0.52 -0.65 114.94 125.62 2wr9 s ASN 102 Ca -0.05 0.86 0.04 0.00 -0.71 0.00 0.00 52.86 52.99 2wr9 s ASN 102 Cb -0.15 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 2wr9 s ASN 102 CO 0.02 0.23 -0.11 -0.36 -1.51 0.00 0.00 177.10 175.37 2wr9 s PHE 103 N -0.52 0.94 0.03 2.20 0.08 -1.25 -1.71 117.98 117.76 2wr9 s PHE 103 Ca 0.23 -0.38 0.07 0.00 0.12 0.00 0.00 56.93 56.97 2wr9 s PHE 103 Cb -0.16 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.71 2wr9 s PHE 103 CO 0.11 -0.00 -0.20 0.20 -0.10 0.00 0.00 175.22 175.22 2wr9 s GLY 104 N -1.22 1.08 -0.04 4.36 0.00 -0.33 -0.81 107.32 110.36 2wr9 s GLY 104 Ca -0.02 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2wr9 s GLY 104 CO 0.01 -0.93 -0.07 -0.42 0.00 0.00 0.00 173.10 171.70 2wr9 s ILE 105 N -0.74 0.68 -0.05 0.90 1.01 0.47 -0.13 121.20 123.34 2wr9 s ILE 105 Ca 0.07 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2wr9 s ILE 105 Cb -0.09 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 2wr9 s ILE 105 CO 0.01 0.25 -0.18 -0.69 0.00 0.00 0.00 174.94 174.33 2wr9 s VAL 106 N 0.69 1.50 0.19 2.92 1.01 -0.33 -0.69 120.40 125.70 2wr9 s VAL 106 Ca -0.10 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2wr9 s VAL 106 Cb -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2wr9 s VAL 106 CO 0.01 0.43 -0.08 0.68 0.00 0.00 0.00 175.10 176.14 2wr9 s VAL 107 N 0.10 1.28 0.03 2.92 -7.23 -0.14 -1.52 120.40 115.84 2wr9 s VAL 107 Ca -0.06 -2.09 -0.09 0.00 -1.81 0.00 0.00 61.98 57.94 2wr9 s VAL 107 Cb -0.13 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2wr9 s VAL 107 CO 0.03 -0.58 0.17 -0.94 -0.31 0.00 0.00 175.10 173.47 2wr9 s SER 108 N -3.25 0.05 -0.13 4.85 1.04 -0.93 -1.56 113.70 113.76 2wr9 s SER 108 Ca 0.22 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.32 2wr9 s SER 108 Cb 0.03 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.42 2wr9 s SER 108 CO 0.05 -0.50 -0.15 -0.70 0.98 0.00 0.00 173.24 172.92 2wr9 s GLU 109 N -2.22 2.24 0.00 4.02 2.56 0.12 -1.74 118.70 123.67 2wr9 s GLU 109 Ca -0.08 -0.55 0.28 0.00 0.00 0.00 0.00 54.97 54.63 2wr9 s GLU 109 Cb -0.03 -1.98 1.15 0.00 2.00 0.00 0.00 34.13 35.27 2wr9 s GLU 109 CO -0.02 -0.14 1.80 -0.40 -0.56 0.00 0.00 175.26 175.93 2wr9 n ASP 110 N 4.48 1.32 0.00 -1.70 5.68 -1.26 -2.55 116.55 122.52 2wr9 n ASP 110 Ca -0.18 -1.44 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 2wr9 n ASP 110 Cb 0.51 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 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 1.15 0.58 0.10 6.12 0.00 -1.26 -4.90 105.19 106.98 2wr9 n GLY 111 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.56 1.61 3.86 -2.03 -3.48 115.15 114.55 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 0.64 0.00 -0.40 0.86 0.00 0.00 177.93 179.03 2wr9 n ASP 113 N -2.98 0.00 -2.39 2.45 5.68 -1.26 -5.07 116.55 112.98 2wr9 n ASP 113 Ca -0.08 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.05 2wr9 n ASP 113 Cb 0.85 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.86 2wr9 n ASP 113 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2wr9 n SER 114 N 0.00 3.55 0.11 -1.12 3.41 -1.26 -4.85 113.62 113.46 2wr9 n SER 114 Ca 0.00 -3.11 0.02 0.00 -0.26 0.00 0.00 58.87 55.52 2wr9 n SER 114 Cb 0.00 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2wr9 n SER 114 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2wr9 h ASP 115 N 2.43 0.00 -2.04 4.04 3.04 -1.97 -3.47 116.42 118.44 2wr9 h ASP 115 Ca 0.16 0.00 -0.40 0.00 -3.24 0.00 0.00 57.03 53.55 2wr9 h ASP 115 Cb 1.35 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 39.56 2wr9 h ASP 115 CO 0.56 0.52 -0.45 -1.22 -2.04 0.00 0.00 179.24 176.61 2wr9 n TYR 116 N -3.14 -0.54 -0.71 4.15 4.02 -1.26 -4.86 117.16 114.82 2wr9 n TYR 116 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.95 2wr9 n TYR 116 Cb 0.76 -3.64 0.13 0.00 -0.02 0.00 0.00 39.34 36.56 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 -1.57 2.59 0.02 7.72 6.94 -1.18 -3.57 115.26 126.21 2wr9 n ASN 117 Ca -0.22 -2.71 -0.13 0.00 -0.02 0.00 0.00 54.58 51.50 2wr9 n ASN 117 Cb 0.67 -0.33 -0.09 0.00 -2.36 0.00 0.00 39.78 37.67 2wr9 n ASN 117 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2wr9 h ASP 118 N 0.51 -0.09 -3.33 0.53 3.32 -1.52 -3.18 116.42 112.67 2wr9 h ASP 118 Ca 0.00 -0.43 -0.50 0.00 0.02 0.00 0.00 57.03 56.12 2wr9 h ASP 118 Cb 0.93 0.02 -0.35 0.00 0.22 0.00 0.00 39.33 40.15 2wr9 h ASP 118 CO 0.04 0.41 -0.80 -0.83 -1.72 0.00 0.00 179.24 176.33 2wr9 s GLY 119 N -3.15 0.76 -0.02 2.75 0.00 -1.25 -1.55 107.32 104.85 2wr9 s GLY 119 Ca -0.15 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.19 2wr9 s GLY 119 CO 0.62 0.45 -0.14 -0.42 0.00 0.00 0.00 173.10 173.61 2wr9 s ILE 120 N 1.14 1.10 -0.04 0.90 1.01 -0.40 -2.20 121.20 122.71 2wr9 s ILE 120 Ca -0.06 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2wr9 s ILE 120 Cb -0.14 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.41 2wr9 s ILE 120 CO -0.02 0.31 -0.10 -0.69 0.00 0.00 0.00 174.94 174.45 2wr9 s VAL 121 N -0.24 0.90 -0.15 2.92 1.01 -0.57 -2.06 120.40 122.21 2wr9 s VAL 121 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2wr9 s VAL 121 Cb -0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2wr9 s VAL 121 CO -0.00 0.29 -0.13 -0.69 0.00 0.00 0.00 175.10 174.57 2wr9 s VAL 122 N 0.39 2.93 -0.05 2.92 1.01 0.37 -1.18 120.40 126.78 2wr9 s VAL 122 Ca -0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 2wr9 s VAL 122 Cb -0.11 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2wr9 s VAL 122 CO 0.01 0.51 0.18 -0.76 0.00 0.00 0.00 175.10 175.04 2wr9 s LEU 123 N 0.71 4.38 -0.11 3.92 1.43 0.82 0.02 118.68 129.84 2wr9 s LEU 123 Ca -0.06 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2wr9 s LEU 123 Cb -0.15 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.69 2wr9 s LEU 123 CO 0.02 0.32 0.27 -1.58 0.23 0.00 0.00 176.35 175.61 2wr9 s GLN 124 N -1.57 0.27 0.12 1.70 -0.44 -0.24 -1.19 119.66 118.31 2wr9 s GLN 124 Ca 0.23 0.49 -0.17 0.00 -2.50 0.00 0.00 55.36 53.40 2wr9 s GLN 124 Cb -0.12 -0.00 0.04 0.00 -1.64 0.00 0.00 33.01 31.28 2wr9 s GLN 124 CO 0.13 -0.11 0.43 1.67 0.50 0.00 0.00 175.29 177.91 2wr9 s TRP 125 N 0.82 -0.26 0.85 1.67 -2.14 -0.69 -1.37 118.94 117.81 2wr9 s TRP 125 Ca -0.06 -0.00 -0.12 0.00 2.66 0.00 0.00 56.10 58.58 2wr9 s TRP 125 Cb -0.07 0.30 0.10 0.00 -3.10 0.00 0.00 33.47 30.70 2wr9 s TRP 125 CO -0.05 -0.71 1.17 -1.25 -2.66 0.00 0.00 176.95 173.45 2wr9 s PRO 126 N -3.64 1.66 -0.03 3.25 0.04 -1.26 -0.36 135.00 134.67 2wr9 s PRO 126 Ca 0.02 0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.23 2wr9 s PRO 126 Cb 0.01 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2wr9 s PRO 126 CO -0.11 -1.81 1.04 0.44 0.04 0.00 0.00 177.00 176.60 2wr9 n ILE 127 N -3.47 1.20 1.20 0.56 -5.35 -1.26 -4.97 119.36 107.28 2wr9 n ILE 127 Ca 0.08 -1.29 0.10 0.00 -0.27 0.00 0.00 62.75 61.37 2wr9 n ILE 127 Cb 0.60 0.33 0.57 0.00 -1.74 0.00 0.00 39.64 39.41 2wr9 n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40