#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr9 s SER 6 N 0.00 -0.07 0.04 8.00 1.04 -0.06 -4.98 113.70 117.67 2wr9 s SER 6 Ca 0.00 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.61 2wr9 s SER 6 Cb 0.00 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2wr9 s SER 6 CO 0.00 -1.01 0.02 -0.94 0.98 0.00 0.00 173.24 172.30 2wr9 s SER 7 N -2.96 0.31 0.29 7.02 1.04 -1.26 -1.01 113.70 117.13 2wr9 s SER 7 Ca 0.17 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.91 2wr9 s SER 7 Cb 0.01 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 2wr9 s SER 7 CO 0.02 -0.51 0.10 0.54 0.98 0.00 0.00 173.24 174.37 2wr9 s ASN 8 N -2.31 1.58 0.43 7.02 2.20 -0.59 -5.00 114.94 118.28 2wr9 s ASN 8 Ca -0.03 -1.43 0.29 0.00 -0.94 0.00 0.00 52.86 50.76 2wr9 s ASN 8 Cb 0.01 0.17 1.12 0.00 -2.00 0.00 0.00 41.25 40.54 2wr9 s ASN 8 CO -0.06 -0.74 1.85 0.08 -2.94 0.00 0.00 177.10 175.29 2wr9 h ARG 9 N 2.27 0.00 0.00 3.55 0.11 -1.90 -0.97 114.38 117.44 2wr9 h ARG 9 Ca -0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.70 2wr9 h ARG 9 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2wr9 h ARG 9 CO 0.61 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.68 2wr9 n ALA 10 N -1.97 1.97 -0.94 0.08 0.00 -1.26 -2.99 120.51 115.39 2wr9 n ALA 10 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2wr9 n ALA 10 Cb 0.31 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.80 3.70 0.00 0.00 -0.37 -4.76 105.19 104.90 2wr9 n GLY 11 Ca 0.08 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.07 3.70 0.08 1.61 2.02 -1.26 -2.42 118.70 120.37 2wr9 s GLU 12 Ca 0.00 -0.30 0.09 0.00 0.02 0.00 0.00 54.97 54.79 2wr9 s GLU 12 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2wr9 s GLU 12 CO 0.00 0.46 -0.25 -0.06 0.02 0.00 0.00 175.26 175.43 2wr9 s PHE 13 N -0.16 2.17 -0.29 1.61 0.08 0.89 -1.54 117.98 120.74 2wr9 s PHE 13 Ca 0.08 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.72 2wr9 s PHE 13 Cb -0.12 -1.24 0.05 0.00 -0.57 0.00 0.00 43.02 41.14 2wr9 s PHE 13 CO 0.01 0.21 -0.03 0.45 -0.10 0.00 0.00 175.22 175.76 2wr9 s SER 14 N -1.61 4.75 0.46 1.36 0.15 -0.18 -0.90 113.70 117.73 2wr9 s SER 14 Ca 0.11 -1.25 0.04 0.00 0.70 0.00 0.00 55.95 55.55 2wr9 s SER 14 Cb -0.10 -1.68 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2wr9 s SER 14 CO 0.04 -0.23 0.01 0.27 1.20 0.00 0.00 173.24 174.52 2wr9 s ILE 15 N 1.23 1.55 0.28 6.45 -4.36 0.07 -0.88 121.20 125.53 2wr9 s ILE 15 Ca -0.05 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.03 2wr9 s ILE 15 Cb -0.19 -2.56 -0.12 0.00 1.25 0.00 0.00 42.46 40.83 2wr9 s ILE 15 CO -0.02 0.00 1.55 -2.65 0.24 0.00 0.00 174.94 174.06 2wr9 n PRO 16 N -1.11 2.52 -1.40 0.37 -0.02 -1.26 -4.50 135.00 129.59 2wr9 n PRO 16 Ca -0.12 0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 2wr9 n PRO 16 Cb 0.67 -2.64 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 2wr9 n PRO 16 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2wr9 s PRO 17 N -0.42 2.25 -1.48 0.52 0.02 -1.26 -3.73 135.00 130.90 2wr9 s PRO 17 Ca 0.66 1.44 -0.11 0.00 0.02 0.00 0.00 61.00 63.01 2wr9 s PRO 17 Cb -0.54 -1.88 0.06 0.00 0.02 0.00 0.00 34.50 32.17 2wr9 s PRO 17 CO 0.48 -1.68 0.93 -1.71 -0.33 0.00 0.00 177.00 174.69 2wr9 n ASN 18 N -3.03 -4.04 -4.14 2.53 5.15 0.60 -4.90 115.26 107.42 2wr9 n ASN 18 Ca 0.11 -0.78 -0.30 0.00 -0.60 0.00 0.00 54.58 53.01 2wr9 n ASN 18 Cb 0.52 -3.95 -0.17 0.00 -0.53 0.00 0.00 39.78 35.66 2wr9 n ASN 18 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wr9 s THR 19 N -3.39 1.72 0.24 -0.44 2.01 -1.24 -4.85 115.64 109.69 2wr9 s THR 19 Ca 0.52 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2wr9 s THR 19 Cb -0.26 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 2wr9 s THR 19 CO 0.82 0.49 1.16 -1.81 -0.69 0.00 0.00 174.62 174.59 2wr9 s ASP 20 N 0.57 7.15 0.07 3.53 1.01 -1.26 -0.76 116.67 126.98 2wr9 s ASP 20 Ca -0.15 2.28 -0.06 0.00 0.71 0.00 0.00 52.55 55.33 2wr9 s ASP 20 Cb -0.17 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.13 2wr9 s ASP 20 CO 0.05 -0.28 0.12 0.72 0.21 0.00 0.00 175.17 175.99 2wr9 s PHE 21 N -0.65 0.25 0.05 4.23 -0.12 0.04 -4.15 117.98 117.63 2wr9 s PHE 21 Ca 0.49 -0.68 -0.06 0.00 -0.05 0.00 0.00 56.93 56.62 2wr9 s PHE 21 Cb -0.33 -0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 2wr9 s PHE 21 CO 0.40 -0.47 0.32 1.03 -0.05 0.00 0.00 175.22 176.45 2wr9 s ARG 22 N -3.62 3.62 -0.14 1.99 1.81 -0.53 -1.46 118.95 120.62 2wr9 s ARG 22 Ca 0.03 -0.05 -0.00 0.00 -1.72 0.00 0.00 55.73 54.00 2wr9 s ARG 22 Cb 0.04 -3.01 0.03 0.00 -0.45 0.00 0.00 34.95 31.56 2wr9 s ARG 22 CO -0.09 0.59 -0.08 0.00 -0.68 0.00 0.00 175.30 175.04 2wr9 s ALA 23 N -1.41 1.51 -0.23 2.13 0.00 0.07 -1.63 121.76 122.20 2wr9 s ALA 23 Ca 0.32 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 2wr9 s ALA 23 Cb -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2wr9 s ALA 23 CO 0.19 -0.55 0.12 0.42 0.00 0.00 0.00 175.76 175.94 2wr9 s ILE 24 N 1.63 5.00 -0.09 0.00 -1.09 0.97 -0.51 121.20 127.11 2wr9 s ILE 24 Ca 0.03 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.51 2wr9 s ILE 24 Cb -0.14 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 2wr9 s ILE 24 CO -0.08 0.37 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.55 2wr9 s PHE 25 N 1.00 2.88 0.25 3.97 0.08 -0.03 -0.37 117.98 125.76 2wr9 s PHE 25 Ca 0.06 -0.18 -0.21 0.00 0.12 0.00 0.00 56.93 56.71 2wr9 s PHE 25 Cb -0.14 -1.76 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 2wr9 s PHE 25 CO 0.04 0.15 0.68 -0.59 -0.10 0.00 0.00 175.22 175.40 2wr9 s PHE 26 N -0.40 -0.25 0.02 0.36 -0.12 -0.56 -1.34 117.98 115.70 2wr9 s PHE 26 Ca 0.05 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.80 2wr9 s PHE 26 Cb -0.12 0.66 -0.01 0.00 -0.63 0.00 0.00 43.02 42.91 2wr9 s PHE 26 CO 0.02 -1.14 -0.08 0.00 -0.05 0.00 0.00 175.22 173.97 2wr9 s ALA 27 N -3.89 0.62 -0.71 1.99 0.00 -1.26 -1.00 121.76 117.51 2wr9 s ALA 27 Ca 0.09 -0.54 0.05 0.00 0.00 0.00 0.00 51.96 51.56 2wr9 s ALA 27 Cb -0.05 -0.07 0.19 0.00 0.00 0.00 0.00 23.12 23.20 2wr9 s ALA 27 CO 0.03 0.08 0.59 0.09 0.00 0.00 0.00 175.76 176.54 2wr9 n ASN 28 N 2.20 3.33 -3.58 0.00 3.02 -0.56 -3.89 115.26 115.78 2wr9 n ASN 28 Ca -0.18 -3.28 -0.17 0.00 -0.03 0.00 0.00 54.58 50.93 2wr9 n ASN 28 Cb 0.56 -0.76 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.76 -1.58 0.05 5.41 0.00 -1.26 -4.13 121.76 118.50 2wr9 s ALA 29 Ca 0.29 1.21 -0.04 0.00 0.00 0.00 0.00 51.96 53.42 2wr9 s ALA 29 Cb 0.01 -0.11 -0.28 0.00 0.00 0.00 0.00 23.12 22.73 2wr9 s ALA 29 CO -0.12 -0.34 1.04 0.00 0.00 0.00 0.00 175.76 176.34 2wr9 h ALA 30 N 3.40 0.15 -2.32 0.00 0.00 -1.95 -2.41 119.26 116.14 2wr9 h ALA 30 Ca -0.28 -0.96 -0.49 0.00 0.00 0.00 0.00 54.91 53.18 2wr9 h ALA 30 Cb 1.15 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2wr9 h ALA 30 CO 0.36 1.02 0.09 -1.21 0.00 0.00 0.00 179.25 179.51 2wr9 s GLU 31 N -2.64 3.96 0.04 0.00 0.41 -1.26 -4.92 118.70 114.28 2wr9 s GLU 31 Ca -0.06 0.62 -0.30 0.00 -0.41 0.00 0.00 54.97 54.82 2wr9 s GLU 31 Cb 0.07 -2.43 -0.07 0.00 -1.78 0.00 0.00 34.13 29.92 2wr9 s GLU 31 CO 0.88 0.13 1.48 -0.65 -0.49 0.00 0.00 175.26 176.61 2wr9 s GLN 32 N -3.10 4.26 -0.43 1.61 -0.21 -1.26 -4.63 119.66 115.89 2wr9 s GLN 32 Ca 0.53 2.10 -0.20 0.00 0.02 0.00 0.00 55.36 57.81 2wr9 s GLN 32 Cb -0.10 -3.53 0.02 0.00 1.00 0.00 0.00 33.01 30.40 2wr9 s GLN 32 CO 0.19 -0.61 0.59 -0.65 -2.12 0.00 0.00 175.29 172.70 2wr9 s GLN 33 N 2.29 3.25 -0.68 2.91 -1.52 0.68 -4.48 119.66 122.11 2wr9 s GLN 33 Ca 0.67 -0.45 -0.23 0.00 -1.95 0.00 0.00 55.36 53.41 2wr9 s GLN 33 Cb -0.35 -3.95 0.07 0.00 -0.22 0.00 0.00 33.01 28.56 2wr9 s GLN 33 CO 0.29 -0.96 1.00 -1.01 -0.25 0.00 0.00 175.29 174.35 2wr9 s HIS 34 N 2.66 2.66 -0.24 0.91 3.76 -0.40 -1.04 115.29 123.59 2wr9 s HIS 34 Ca 0.20 -0.54 -0.06 0.00 -0.15 0.00 0.00 55.06 54.50 2wr9 s HIS 34 Cb -0.15 -4.32 -0.02 0.00 1.11 0.00 0.00 32.58 29.20 2wr9 s HIS 34 CO 0.18 -1.68 0.04 0.42 -0.85 0.00 0.00 174.74 172.85 2wr9 s ILE 35 N 4.15 4.08 -0.03 0.60 1.01 0.23 -1.35 121.20 129.89 2wr9 s ILE 35 Ca 0.24 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.71 2wr9 s ILE 35 Cb -0.16 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2wr9 s ILE 35 CO 0.10 0.36 -0.25 -0.54 0.00 0.00 0.00 174.94 174.61 2wr9 s LYS 36 N 1.56 2.25 -0.15 2.79 1.02 -0.31 -1.13 119.74 125.77 2wr9 s LYS 36 Ca 0.06 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.16 2wr9 s LYS 36 Cb -0.15 -2.06 0.01 0.00 -0.52 0.00 0.00 37.83 35.11 2wr9 s LYS 36 CO 0.02 0.48 -0.19 -1.17 -0.92 0.00 0.00 175.35 173.57 2wr9 s LEU 37 N -0.42 2.27 -0.02 3.17 0.20 -0.32 -1.61 118.68 121.95 2wr9 s LEU 37 Ca 0.04 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.35 2wr9 s LEU 37 Cb -0.11 -1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 44.12 2wr9 s LEU 37 CO 0.01 0.07 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.66 2wr9 s PHE 38 N 0.87 2.76 -0.12 5.38 0.08 0.57 -0.55 117.98 126.97 2wr9 s PHE 38 Ca -0.05 -0.12 0.02 0.00 0.12 0.00 0.00 56.93 56.90 2wr9 s PHE 38 Cb -0.15 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2wr9 s PHE 38 CO -0.02 0.28 -0.19 0.42 -0.10 0.00 0.00 175.22 175.60 2wr9 s ILE 39 N -0.86 2.50 0.00 0.64 1.01 -1.26 -0.94 121.20 122.29 2wr9 s ILE 39 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2wr9 s ILE 39 Cb -0.11 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2wr9 s ILE 39 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2wr9 n GLY 40 N 3.55 3.13 1.29 6.18 0.00 -0.08 -2.52 105.19 116.74 2wr9 n GLY 40 Ca -0.19 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 2.55 3.76 -4.77 1.61 8.00 -1.26 -4.96 116.55 121.49 2wr9 n ASP 41 Ca 0.00 -2.05 -0.40 0.00 0.71 0.00 0.00 54.79 53.05 2wr9 n ASP 41 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.98 6.24 0.20 -2.24 0.15 -1.05 -4.91 113.70 111.11 2wr9 s SER 42 Ca 0.46 2.80 0.23 0.00 0.70 0.00 0.00 55.95 60.14 2wr9 s SER 42 Cb 0.25 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.98 2wr9 s SER 42 CO 0.30 -0.91 1.12 -0.61 1.20 0.00 0.00 173.24 174.33 2wr9 h GLN 43 N 2.70 0.00 -5.74 5.44 5.75 -1.93 -3.44 115.11 117.88 2wr9 h GLN 43 Ca -0.50 0.00 -0.65 0.00 -0.15 0.00 0.00 58.65 57.35 2wr9 h GLN 43 Cb 1.25 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.73 2wr9 h GLN 43 CO 0.63 0.00 -0.43 -1.21 -2.65 0.00 0.00 178.83 175.17 2wr9 s GLU 44 N -3.32 3.53 0.42 1.69 0.41 -1.26 -5.08 118.70 115.09 2wr9 s GLU 44 Ca 0.01 -0.06 -0.24 0.00 -0.41 0.00 0.00 54.97 54.27 2wr9 s GLU 44 Cb 0.10 -3.17 -0.08 0.00 -1.78 0.00 0.00 34.13 29.20 2wr9 s GLU 44 CO 0.77 0.74 1.18 -1.25 -0.49 0.00 0.00 175.26 176.21 2wr9 s PRO 45 N -1.21 3.94 0.33 0.39 0.04 -1.26 -4.74 135.00 132.48 2wr9 s PRO 45 Ca 0.19 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.25 2wr9 s PRO 45 Cb -0.13 -2.58 0.35 0.00 0.04 0.00 0.00 34.50 32.17 2wr9 s PRO 45 CO 0.08 -0.42 1.57 0.00 0.04 0.00 0.00 177.00 178.27 2wr9 h ALA 46 N 2.42 0.80 -2.57 8.56 0.00 -1.19 -3.45 119.26 123.83 2wr9 h ALA 46 Ca -0.49 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 53.91 2wr9 h ALA 46 Cb 1.24 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 2wr9 h ALA 46 CO 0.62 0.54 -0.19 0.00 0.00 0.00 0.00 179.25 180.22 2wr9 s ALA 47 N -3.22 -1.05 -0.13 0.00 0.00 -1.15 -5.01 121.76 111.19 2wr9 s ALA 47 Ca 0.02 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 52.90 2wr9 s ALA 47 Cb 0.09 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.85 2wr9 s ALA 47 CO 0.71 -0.24 0.28 -0.47 0.00 0.00 0.00 175.76 176.05 2wr9 s TYR 48 N -0.35 -0.43 0.01 0.00 5.04 -1.26 -1.18 117.35 119.18 2wr9 s TYR 48 Ca -0.05 0.96 0.02 0.00 -2.44 0.00 0.00 57.07 55.56 2wr9 s TYR 48 Cb -0.03 0.05 -0.01 0.00 0.35 0.00 0.00 41.96 42.32 2wr9 s TYR 48 CO 0.03 -0.31 -0.06 -1.01 -1.34 0.00 0.00 175.55 172.85 2wr9 s HIS 49 N 1.82 0.57 -0.34 4.97 3.76 -0.28 -4.99 115.29 120.79 2wr9 s HIS 49 Ca -0.05 -0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 54.61 2wr9 s HIS 49 Cb -0.11 -0.35 0.07 0.00 1.11 0.00 0.00 32.58 33.30 2wr9 s HIS 49 CO -0.09 -0.03 0.07 0.21 -0.85 0.00 0.00 174.74 174.04 2wr9 s LYS 50 N -0.63 2.23 0.04 1.40 2.20 -1.25 -0.60 119.74 123.13 2wr9 s LYS 50 Ca -0.02 -1.48 0.05 0.00 -0.36 0.00 0.00 55.97 54.16 2wr9 s LYS 50 Cb -0.05 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.94 2wr9 s LYS 50 CO 0.00 -0.79 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.55 2wr9 s LEU 51 N 1.20 2.17 0.00 5.43 1.43 -0.21 -4.83 118.68 123.87 2wr9 s LEU 51 Ca 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2wr9 s LEU 51 Cb -0.21 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.37 2wr9 s LEU 51 CO -0.02 0.05 0.02 0.35 0.23 0.00 0.00 176.35 176.98 2wr9 n THR 52 N 1.88 0.00 -0.21 5.49 -2.24 -1.26 -0.23 114.28 117.70 2wr9 n THR 52 Ca -0.18 -1.70 -0.01 0.00 -2.27 0.00 0.00 64.05 59.89 2wr9 n THR 52 Cb 0.54 0.30 0.10 0.00 -2.10 0.00 0.00 70.33 69.18 2wr9 n THR 52 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2wr9 h THR 53 N 1.14 0.88 0.00 4.28 2.02 -1.54 -2.26 112.91 117.43 2wr9 h THR 53 Ca -0.30 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2wr9 h THR 53 Cb 0.91 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2wr9 h THR 53 CO 0.49 0.10 0.00 -2.11 0.37 0.00 0.00 175.52 174.37 2wr9 n ARG 54 N -4.88 0.07 0.12 6.66 1.85 -1.26 -2.57 116.66 116.65 2wr9 n ARG 54 Ca 0.08 0.33 0.12 0.00 -1.00 0.00 0.00 57.85 57.39 2wr9 n ARG 54 Cb 0.22 -1.64 0.27 0.00 -1.05 0.00 0.00 32.46 30.25 2wr9 n ARG 54 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2wr9 h ASP 55 N 0.00 0.00 0.00 2.89 3.32 -1.80 -3.50 116.42 117.34 2wr9 h ASP 55 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2wr9 h ASP 55 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2wr9 h ASP 55 CO 0.00 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 2wr9 n GLY 56 N 1.27 0.46 3.90 2.75 0.00 -1.06 -4.91 105.19 107.60 2wr9 n GLY 56 Ca 0.04 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 3.57 0.04 1.61 0.04 -1.26 -4.61 135.00 134.39 2wr9 s PRO 57 Ca 0.00 0.24 0.05 0.00 0.04 0.00 0.00 61.00 61.33 2wr9 s PRO 57 Cb 0.00 -2.37 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 2wr9 s PRO 57 CO 0.00 -0.19 -0.14 1.03 0.04 0.00 0.00 177.00 177.74 2wr9 s ARG 58 N -4.63 0.94 -0.11 4.56 1.81 -0.45 -4.97 118.95 116.10 2wr9 s ARG 58 Ca 0.48 -0.79 0.02 0.00 -1.72 0.00 0.00 55.73 53.72 2wr9 s ARG 58 Cb -0.10 -0.95 0.01 0.00 -0.45 0.00 0.00 34.95 33.46 2wr9 s ARG 58 CO 0.43 0.23 -0.15 -2.00 -0.68 0.00 0.00 175.30 173.13 2wr9 s GLU 59 N -1.21 2.23 0.09 3.54 2.12 -1.26 -0.85 118.70 123.36 2wr9 s GLU 59 Ca 0.01 -0.57 0.04 0.00 0.36 0.00 0.00 54.97 54.82 2wr9 s GLU 59 Cb -0.08 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.37 2wr9 s GLU 59 CO 0.01 -0.06 0.03 0.00 -0.54 0.00 0.00 175.26 174.70 2wr9 s ALA 60 N 0.99 3.40 -0.17 6.30 0.00 0.33 -4.96 121.76 127.65 2wr9 s ALA 60 Ca -0.06 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2wr9 s ALA 60 Cb -0.15 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.70 2wr9 s ALA 60 CO -0.02 0.72 -0.20 0.99 0.00 0.00 0.00 175.76 177.25 2wr9 s THR 61 N -1.34 2.04 0.22 0.00 2.01 -1.26 -0.75 115.64 116.55 2wr9 s THR 61 Ca 0.27 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.34 2wr9 s THR 61 Cb -0.12 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 2wr9 s THR 61 CO 0.20 0.54 0.11 -0.76 -0.69 0.00 0.00 174.62 174.01 2wr9 s LEU 62 N 1.22 1.42 -0.10 4.42 1.43 -0.54 -4.97 118.68 121.57 2wr9 s LEU 62 Ca 0.03 -1.37 0.02 0.00 -1.03 0.00 0.00 54.13 51.78 2wr9 s LEU 62 Cb -0.13 0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.27 2wr9 s LEU 62 CO -0.11 -0.78 -0.15 0.21 0.23 0.00 0.00 176.35 175.75 2wr9 s ASN 63 N -3.22 3.89 0.01 2.29 3.84 -1.26 -0.78 114.94 119.70 2wr9 s ASN 63 Ca 0.37 -0.31 0.10 0.00 0.21 0.00 0.00 52.86 53.24 2wr9 s ASN 63 Cb 0.07 -1.28 0.44 0.00 -0.55 0.00 0.00 41.25 39.93 2wr9 s ASN 63 CO 0.12 0.23 1.33 -1.54 -2.79 0.00 0.00 177.10 174.45 2wr9 n SER 64 N 3.06 0.01 0.00 -4.21 3.41 0.06 -4.88 113.62 111.07 2wr9 n SER 64 Ca -0.18 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2wr9 n SER 64 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 -0.47 3.77 0.00 5.00 0.00 -1.26 0.26 105.19 112.49 2wr9 n GLY 65 Ca 0.02 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 6.50 0.00 0.00 1.61 6.94 -1.26 -0.29 115.26 128.75 2wr9 n ASN 66 Ca 0.00 -0.84 0.00 0.00 -0.02 0.00 0.00 54.58 53.72 2wr9 n ASN 66 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.60 1.10 3.59 4.83 0.00 0.14 -4.61 105.19 110.83 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 -0.74 3.87 -0.12 1.61 -0.14 -1.25 -0.75 119.74 122.22 2wr9 s LYS 68 Ca 0.00 0.03 0.02 0.00 -1.36 0.00 0.00 55.97 54.66 2wr9 s LYS 68 Cb 0.00 -3.71 -0.00 0.00 -1.68 0.00 0.00 37.83 32.43 2wr9 s LYS 68 CO 0.00 -0.44 -0.19 0.42 -0.76 0.00 0.00 175.35 174.38 2wr9 s ILE 69 N 2.25 2.41 -0.03 2.17 1.01 -0.08 -0.90 121.20 128.03 2wr9 s ILE 69 Ca 0.18 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2wr9 s ILE 69 Cb -0.16 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 2wr9 s ILE 69 CO 0.11 0.54 -0.21 -0.60 0.00 0.00 0.00 174.94 174.78 2wr9 s ARG 70 N 0.49 1.80 0.13 2.79 3.52 -0.11 -0.08 118.95 127.50 2wr9 s ARG 70 Ca -0.13 -0.74 0.08 0.00 -0.13 0.00 0.00 55.73 54.81 2wr9 s ARG 70 Cb -0.17 -1.68 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 2wr9 s ARG 70 CO 0.05 0.41 -0.13 -0.06 -0.81 0.00 0.00 175.30 174.76 2wr9 s PHE 71 N -0.36 2.64 -0.02 5.12 0.08 -1.02 -0.31 117.98 124.11 2wr9 s PHE 71 Ca 0.05 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.90 2wr9 s PHE 71 Cb -0.09 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 2wr9 s PHE 71 CO 0.00 0.43 -0.05 -1.21 -0.10 0.00 0.00 175.22 174.29 2wr9 s GLU 72 N -2.32 0.63 -0.14 0.44 2.02 -0.64 -4.88 118.70 113.82 2wr9 s GLU 72 Ca 0.21 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.06 2wr9 s GLU 72 Cb -0.10 -0.64 0.01 0.00 0.10 0.00 0.00 34.13 33.50 2wr9 s GLU 72 CO 0.13 0.03 -0.19 0.08 0.02 0.00 0.00 175.26 175.32 2wr9 s VAL 73 N 0.38 1.86 -0.06 2.63 1.01 -1.26 -1.16 120.40 123.81 2wr9 s VAL 73 Ca -0.05 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.14 2wr9 s VAL 73 Cb -0.08 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2wr9 s VAL 73 CO -0.00 0.51 -0.25 -0.55 0.00 0.00 0.00 175.10 174.81 2wr9 s SER 74 N 1.00 3.03 -0.03 3.32 0.15 -0.46 -0.80 113.70 119.91 2wr9 s SER 74 Ca -0.04 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.11 2wr9 s SER 74 Cb -0.15 -0.86 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 2wr9 s SER 74 CO -0.04 0.24 0.00 -0.69 1.20 0.00 0.00 173.24 173.95 2wr9 s VAL 75 N -0.13 0.16 -1.65 4.45 1.01 -0.49 -1.28 120.40 122.47 2wr9 s VAL 75 Ca -0.04 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 2wr9 s VAL 75 Cb -0.14 -0.26 0.13 0.00 0.00 0.00 0.00 36.38 36.11 2wr9 s VAL 75 CO 0.04 0.14 0.77 0.59 0.00 0.00 0.00 175.10 176.64 2wr9 n ASN 76 N 4.14 -3.16 -1.85 3.32 3.02 -1.26 -1.89 115.26 117.59 2wr9 n ASN 76 Ca -0.27 -0.98 -0.18 0.00 -0.03 0.00 0.00 54.58 53.12 2wr9 n ASN 76 Cb 0.50 -2.93 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.51 0.21 3.16 7.41 0.00 -1.26 -5.01 105.19 108.19 2wr9 n GLY 77 Ca 0.03 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.51 1.19 0.30 1.61 1.02 -0.79 -5.12 119.74 113.45 2wr9 s LYS 78 Ca 0.00 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.00 2wr9 s LYS 78 Cb 0.00 -1.20 -0.09 0.00 -0.52 0.00 0.00 37.83 36.01 2wr9 s LYS 78 CO 0.00 0.32 1.10 -1.25 -0.92 0.00 0.00 175.35 174.60 2wr9 s PRO 79 N -0.77 4.56 0.36 -1.68 0.04 -1.26 -1.40 135.00 134.85 2wr9 s PRO 79 Ca 0.05 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 2wr9 s PRO 79 Cb -0.07 -3.10 -0.10 0.00 0.04 0.00 0.00 34.50 31.27 2wr9 s PRO 79 CO 0.00 0.15 0.87 -1.12 0.04 0.00 0.00 177.00 176.94 2wr9 s SER 80 N -0.95 6.99 0.37 6.66 0.01 0.02 -4.93 113.70 121.86 2wr9 s SER 80 Ca 0.46 1.58 -0.28 0.00 1.31 0.00 0.00 55.95 59.03 2wr9 s SER 80 Cb -0.31 -2.49 -0.10 0.00 0.21 0.00 0.00 66.02 63.33 2wr9 s SER 80 CO 0.40 -0.22 1.37 0.00 0.41 0.00 0.00 173.24 175.20 2wr9 s ALA 81 N -1.94 3.46 0.22 1.44 0.00 -0.82 -4.81 121.76 119.32 2wr9 s ALA 81 Ca 0.55 1.37 0.07 0.00 0.00 0.00 0.00 51.96 53.95 2wr9 s ALA 81 Cb -0.12 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2wr9 s ALA 81 CO 0.17 -0.84 -0.11 0.95 0.00 0.00 0.00 175.76 175.94 2wr9 s THR 82 N -1.16 1.63 0.10 0.00 -4.23 -1.26 -0.77 115.64 109.95 2wr9 s THR 82 Ca 0.52 -2.17 -0.10 0.00 -1.18 0.00 0.00 61.69 58.77 2wr9 s THR 82 Cb -0.42 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2wr9 s THR 82 CO 0.56 -0.50 0.23 -0.62 -0.54 0.00 0.00 174.62 173.74 2wr9 s ASP 83 N -3.34 0.07 0.07 3.99 -1.08 -0.93 -4.66 116.67 110.78 2wr9 s ASP 83 Ca 0.25 -0.62 -0.18 0.00 -0.52 0.00 0.00 52.55 51.47 2wr9 s ASP 83 Cb 0.01 0.37 0.04 0.00 -1.46 0.00 0.00 42.92 41.87 2wr9 s ASP 83 CO 0.08 -0.76 0.42 0.00 0.52 0.00 0.00 175.17 175.43 2wr9 s ALA 84 N -3.86 -1.03 0.17 3.66 0.00 -1.26 -0.70 121.76 118.75 2wr9 s ALA 84 Ca 0.06 0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 2wr9 s ALA 84 Cb 0.04 0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 2wr9 s ALA 84 CO -0.10 -0.52 0.34 -0.98 0.00 0.00 0.00 175.76 174.50 2wr9 s ARG 85 N -2.88 1.22 0.01 0.00 1.70 -0.46 -4.72 118.95 113.82 2wr9 s ARG 85 Ca -0.03 -1.11 -0.04 0.00 -0.47 0.00 0.00 55.73 54.09 2wr9 s ARG 85 Cb 0.00 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 2wr9 s ARG 85 CO -0.05 -0.47 0.22 -0.51 -1.08 0.00 0.00 175.30 173.41 2wr9 s LEU 86 N -2.95 4.36 -0.40 -1.89 1.43 -1.26 -0.83 118.68 117.14 2wr9 s LEU 86 Ca 0.15 0.41 0.10 0.00 -1.03 0.00 0.00 54.13 53.77 2wr9 s LEU 86 Cb 0.02 -2.72 0.34 0.00 0.03 0.00 0.00 46.19 43.86 2wr9 s LEU 86 CO -0.00 0.23 0.82 0.00 0.23 0.00 0.00 176.35 177.63 2wr9 n ALA 87 N 0.85 1.26 -1.76 4.21 0.00 0.03 -4.96 120.51 120.14 2wr9 n ALA 87 Ca -0.10 -2.88 -0.37 0.00 0.00 0.00 0.00 53.44 50.09 2wr9 n ALA 87 Cb 0.52 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.64 3.44 -0.34 0.00 0.04 -1.26 -3.88 135.00 131.36 2wr9 s PRO 88 Ca 0.35 1.86 -0.10 0.00 0.04 0.00 0.00 61.00 63.15 2wr9 s PRO 88 Cb 0.32 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.64 2wr9 s PRO 88 CO -0.08 -0.83 0.16 0.42 0.04 0.00 0.00 177.00 176.71 2wr9 s ILE 89 N -1.53 4.48 -0.24 0.56 1.01 0.23 -4.95 121.20 120.76 2wr9 s ILE 89 Ca 0.69 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.65 2wr9 s ILE 89 Cb -0.31 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.79 2wr9 s ILE 89 CO 0.36 -0.07 -0.04 0.20 0.00 0.00 0.00 174.94 175.39 2wr9 s ASN 90 N 1.57 4.38 0.03 3.58 0.01 -1.26 -0.98 114.94 122.26 2wr9 s ASN 90 Ca 0.03 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.48 2wr9 s ASN 90 Cb -0.18 -1.71 -0.00 0.00 0.41 0.00 0.00 41.25 39.77 2wr9 s ASN 90 CO 0.06 -0.10 0.01 0.61 -1.51 0.00 0.00 177.10 176.17 2wr9 n GLY 91 N 4.73 4.02 3.15 0.66 0.00 -0.66 -4.98 105.19 112.11 2wr9 n GLY 91 Ca -0.17 -1.84 -0.23 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.10 1.19 0.95 1.61 1.02 -1.26 -1.69 119.74 119.46 2wr9 s LYS 92 Ca 0.02 -0.66 -0.12 0.00 0.02 0.00 0.00 55.97 55.22 2wr9 s LYS 92 Cb 0.00 -1.18 0.16 0.00 -0.52 0.00 0.00 37.83 36.29 2wr9 s LYS 92 CO 0.01 0.31 1.10 0.15 -0.92 0.00 0.00 175.35 176.00 2wr9 s LYS 93 N -0.69 0.82 0.24 1.68 1.02 0.47 -4.89 119.74 118.38 2wr9 s LYS 93 Ca 0.05 0.58 -0.05 0.00 0.02 0.00 0.00 55.97 56.57 2wr9 s LYS 93 Cb -0.07 -1.78 0.41 0.00 -0.52 0.00 0.00 37.83 35.88 2wr9 s LYS 93 CO 0.00 -2.48 1.76 0.66 -0.92 0.00 0.00 175.35 174.37 2wr9 h SER 94 N -1.71 0.39 0.03 2.83 4.64 -2.01 0.15 113.55 117.87 2wr9 h SER 94 Ca -0.52 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2wr9 h SER 94 Cb 1.31 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2wr9 h SER 94 CO 0.57 0.19 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 2wr9 n ASP 95 N -4.92 0.00 0.00 4.97 5.68 -1.26 -4.85 116.55 116.17 2wr9 n ASP 95 Ca 0.13 -0.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.98 2wr9 n ASP 95 Cb 0.35 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 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 0.00 0.82 3.86 6.12 0.00 0.54 -5.05 105.19 111.47 2wr9 n GLY 96 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.92 6.60 0.53 1.61 1.04 -1.26 -4.70 113.70 114.59 2wr9 s SER 97 Ca 0.00 1.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 2wr9 s SER 97 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 2wr9 s SER 97 CO 0.00 -0.48 0.84 -2.16 0.98 0.00 0.00 173.24 172.41 2wr9 s PRO 98 N -3.90 3.32 0.06 4.02 0.04 -1.26 -0.40 135.00 136.87 2wr9 s PRO 98 Ca 0.55 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.73 2wr9 s PRO 98 Cb -0.10 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2wr9 s PRO 98 CO 0.30 -0.40 -0.04 -0.59 0.04 0.00 0.00 177.00 176.31 2wr9 s PHE 99 N -2.85 0.57 -0.04 0.56 -0.12 -0.68 -4.81 117.98 110.61 2wr9 s PHE 99 Ca 0.50 -0.97 -0.02 0.00 -0.05 0.00 0.00 56.93 56.40 2wr9 s PHE 99 Cb -0.10 -0.39 0.03 0.00 -0.63 0.00 0.00 43.02 41.92 2wr9 s PHE 99 CO 0.45 -0.31 0.09 0.99 -0.05 0.00 0.00 175.22 176.40 2wr9 s THR 100 N -3.53 -0.04 -0.13 -4.49 2.01 -1.26 -1.66 115.64 106.54 2wr9 s THR 100 Ca 0.05 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.23 2wr9 s THR 100 Cb 0.05 -0.16 0.00 0.00 0.01 0.00 0.00 72.50 72.40 2wr9 s THR 100 CO -0.08 0.07 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.03 2wr9 s VAL 101 N 0.94 2.35 -0.10 3.82 1.01 -0.15 -4.80 120.40 123.47 2wr9 s VAL 101 Ca -0.07 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2wr9 s VAL 101 Cb -0.10 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2wr9 s VAL 101 CO -0.04 0.54 0.24 0.20 0.00 0.00 0.00 175.10 176.04 2wr9 s ASN 102 N 0.61 6.50 0.01 3.32 0.01 0.65 -0.60 114.94 125.44 2wr9 s ASN 102 Ca -0.11 0.60 0.03 0.00 -0.71 0.00 0.00 52.86 52.67 2wr9 s ASN 102 Cb -0.16 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 2wr9 s ASN 102 CO 0.03 0.33 -0.10 -0.36 -1.51 0.00 0.00 177.10 175.49 2wr9 s PHE 103 N -0.73 0.85 0.09 2.20 0.08 -1.25 -1.69 117.98 117.52 2wr9 s PHE 103 Ca 0.17 -0.24 0.10 0.00 0.12 0.00 0.00 56.93 57.08 2wr9 s PHE 103 Cb -0.13 -0.53 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 2wr9 s PHE 103 CO 0.06 -0.01 -0.25 0.20 -0.10 0.00 0.00 175.22 175.12 2wr9 s GLY 104 N -0.59 1.43 -0.04 4.36 0.00 -0.12 -0.79 107.32 111.57 2wr9 s GLY 104 Ca 0.01 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.43 2wr9 s GLY 104 CO 0.00 -1.27 -0.09 -0.42 0.00 0.00 0.00 173.10 171.32 2wr9 s ILE 105 N -0.95 0.84 -0.04 0.90 1.01 -0.01 0.01 121.20 122.95 2wr9 s ILE 105 Ca 0.12 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.46 2wr9 s ILE 105 Cb -0.10 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 2wr9 s ILE 105 CO 0.04 0.27 -0.20 -0.69 0.00 0.00 0.00 174.94 174.36 2wr9 s VAL 106 N 0.40 1.62 0.26 2.92 1.01 -0.05 -1.36 120.40 125.20 2wr9 s VAL 106 Ca -0.07 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2wr9 s VAL 106 Cb -0.11 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.84 2wr9 s VAL 106 CO 0.01 0.46 -0.04 0.68 0.00 0.00 0.00 175.10 176.22 2wr9 s VAL 107 N -0.14 1.40 0.09 2.92 -7.23 0.12 -1.84 120.40 115.73 2wr9 s VAL 107 Ca -0.01 -2.09 -0.23 0.00 -1.81 0.00 0.00 61.98 57.85 2wr9 s VAL 107 Cb -0.11 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.47 2wr9 s VAL 107 CO 0.02 -0.31 0.56 -0.94 -0.31 0.00 0.00 175.10 174.12 2wr9 s SER 108 N -3.39 -0.49 -0.10 4.85 1.04 -1.15 -2.19 113.70 112.26 2wr9 s SER 108 Ca 0.29 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.83 2wr9 s SER 108 Cb 0.05 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.73 2wr9 s SER 108 CO 0.11 -0.83 -0.10 -0.70 0.98 0.00 0.00 173.24 172.69 2wr9 s GLU 109 N -3.04 1.70 0.00 4.02 2.56 0.05 -1.89 118.70 122.09 2wr9 s GLU 109 Ca -0.02 -0.35 0.26 0.00 0.00 0.00 0.00 54.97 54.85 2wr9 s GLU 109 Cb -0.00 -1.59 0.93 0.00 2.00 0.00 0.00 34.13 35.46 2wr9 s GLU 109 CO -0.07 -0.15 1.67 -0.40 -0.56 0.00 0.00 175.26 175.75 2wr9 n ASP 110 N 4.50 1.63 -0.14 -1.70 5.68 -1.26 -1.95 116.55 123.32 2wr9 n ASP 110 Ca -0.17 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2wr9 n ASP 110 Cb 0.51 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 1.17 1.07 0.00 6.12 0.00 -1.26 -4.95 105.19 107.34 2wr9 n GLY 111 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wr9 n GLY 111 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wr9 n HIS 112 N -1.03 0.00 -1.75 1.61 8.25 -1.26 -5.11 115.22 115.93 2wr9 n HIS 112 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wr9 n HIS 112 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 2wr9 n HIS 112 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wr9 n ASP 113 N -0.71 0.00 -0.84 0.41 5.68 -1.26 -5.06 116.55 114.77 2wr9 n ASP 113 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.34 2wr9 n ASP 113 Cb 0.00 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.13 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 1.49 0.14 -1.12 7.64 -1.26 -4.83 113.62 115.68 2wr9 n SER 114 Ca 0.00 -3.27 0.07 0.00 1.01 0.00 0.00 58.87 56.69 2wr9 n SER 114 Cb 0.00 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 62.80 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 0.93 0.00 -2.30 6.43 2.03 -1.97 -3.47 116.42 118.07 2wr9 h ASP 115 Ca -0.07 0.00 -0.42 0.00 -0.73 0.00 0.00 57.03 55.81 2wr9 h ASP 115 Cb 1.28 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.71 2wr9 h ASP 115 CO 0.03 0.23 -0.48 -1.22 -1.03 0.00 0.00 179.24 176.76 2wr9 n TYR 116 N -2.99 -0.66 -0.54 4.15 4.02 -1.26 -4.84 117.16 115.04 2wr9 n TYR 116 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.95 2wr9 n TYR 116 Cb 0.64 -3.80 0.09 0.00 -0.02 0.00 0.00 39.34 36.25 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 -1.76 2.37 -0.03 7.72 0.23 -1.14 -3.12 115.26 119.53 2wr9 n ASN 117 Ca -0.23 -2.53 -0.15 0.00 -0.53 0.00 0.00 54.58 51.14 2wr9 n ASN 117 Cb 0.69 -0.24 -0.10 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.30 0.30 -3.27 0.53 3.32 -1.53 -2.88 116.42 113.19 2wr9 h ASP 118 Ca 0.00 -0.67 -0.53 0.00 0.02 0.00 0.00 57.03 55.85 2wr9 h ASP 118 Cb 0.80 -0.09 -0.38 0.00 0.22 0.00 0.00 39.33 39.89 2wr9 h ASP 118 CO 0.02 0.92 -0.79 -0.83 -1.72 0.00 0.00 179.24 176.83 2wr9 s GLY 119 N -3.75 0.87 -0.02 2.75 0.00 -1.26 -1.50 107.32 104.42 2wr9 s GLY 119 Ca -0.15 -0.67 0.05 0.00 0.00 0.00 0.00 44.72 43.95 2wr9 s GLY 119 CO 0.75 0.93 -0.18 -0.42 0.00 0.00 0.00 173.10 174.18 2wr9 s ILE 120 N 1.69 1.43 -0.03 0.90 1.01 -0.17 -2.95 121.20 123.08 2wr9 s ILE 120 Ca 0.02 -0.77 0.04 0.00 0.00 0.00 0.00 60.65 59.94 2wr9 s ILE 120 Cb -0.14 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 2wr9 s ILE 120 CO -0.08 0.40 -0.13 -0.69 0.00 0.00 0.00 174.94 174.44 2wr9 s VAL 121 N -0.40 1.11 -0.14 2.92 1.01 -0.77 -1.50 120.40 122.64 2wr9 s VAL 121 Ca 0.06 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2wr9 s VAL 121 Cb -0.07 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 2wr9 s VAL 121 CO -0.01 0.33 -0.17 -0.69 0.00 0.00 0.00 175.10 174.56 2wr9 s VAL 122 N 0.01 2.60 0.03 2.92 1.01 0.51 -0.87 120.40 126.61 2wr9 s VAL 122 Ca -0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2wr9 s VAL 122 Cb -0.09 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2wr9 s VAL 122 CO 0.01 0.53 0.26 -0.76 0.00 0.00 0.00 175.10 175.13 2wr9 s LEU 123 N 0.64 4.35 -0.11 3.92 1.43 0.10 -0.02 118.68 129.00 2wr9 s LEU 123 Ca -0.09 0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.42 2wr9 s LEU 123 Cb -0.16 -2.81 0.04 0.00 0.03 0.00 0.00 46.19 43.29 2wr9 s LEU 123 CO 0.03 0.21 0.26 -1.58 0.23 0.00 0.00 176.35 175.50 2wr9 s GLN 124 N -2.06 0.26 0.15 1.70 -0.44 -0.65 -0.94 119.66 117.69 2wr9 s GLN 124 Ca 0.31 0.47 -0.19 0.00 -2.50 0.00 0.00 55.36 53.45 2wr9 s GLN 124 Cb -0.13 0.00 0.05 0.00 -1.64 0.00 0.00 33.01 31.29 2wr9 s GLN 124 CO 0.20 -0.11 0.50 1.67 0.50 0.00 0.00 175.29 178.05 2wr9 s TRP 125 N 0.78 -0.30 0.79 1.67 -2.14 -0.68 -1.46 118.94 117.59 2wr9 s TRP 125 Ca -0.05 0.01 -0.12 0.00 2.66 0.00 0.00 56.10 58.60 2wr9 s TRP 125 Cb -0.06 0.39 0.07 0.00 -3.10 0.00 0.00 33.47 30.77 2wr9 s TRP 125 CO -0.05 -0.80 1.15 -1.25 -2.66 0.00 0.00 176.95 173.34 2wr9 s PRO 126 N -3.80 2.12 0.29 3.25 0.04 -1.26 -0.25 135.00 135.38 2wr9 s PRO 126 Ca 0.04 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.36 2wr9 s PRO 126 Cb 0.00 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.60 2wr9 s PRO 126 CO -0.10 -1.52 0.12 0.44 0.04 0.00 0.00 177.00 175.98 2wr9 n ILE 127 N -3.30 0.00 -0.47 0.56 -5.35 -1.26 -4.97 119.36 104.57 2wr9 n ILE 127 Ca 0.07 -1.24 0.00 0.00 -0.27 0.00 0.00 62.75 61.31 2wr9 n ILE 127 Cb 0.59 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 2wr9 n ILE 127 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40