#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw9 h ILE 2 N 0.00 1.20 -0.11 -1.33 1.08 -1.99 -1.23 117.51 115.14 1bw9 h ILE 2 Ca 0.00 -0.61 0.04 0.00 -0.39 0.00 0.00 64.86 63.90 1bw9 h ILE 2 Cb 0.00 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 1bw9 h ILE 2 CO 0.00 0.23 -0.24 0.44 -0.69 0.00 0.00 178.15 177.90 1bw9 h ASP 3 N 0.66 -0.73 -0.74 1.72 5.19 -2.01 0.33 116.42 120.84 1bw9 h ASP 3 Ca 0.17 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1bw9 h ASP 3 Cb 0.16 0.32 -0.04 0.00 0.18 0.00 0.00 39.33 39.96 1bw9 h ASP 3 CO -0.02 -0.29 0.46 0.77 -3.12 0.00 0.00 179.24 177.05 1bw9 h SER 4 N -0.31 0.87 -0.12 6.45 4.64 -1.92 -1.91 113.55 121.24 1bw9 h SER 4 Ca 0.10 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 1bw9 h SER 4 Cb 0.45 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1bw9 h SER 4 CO -0.29 0.65 -0.07 0.00 -0.87 0.00 0.00 176.83 176.26 1bw9 h ALA 5 N 1.50 1.41 0.00 5.18 0.00 0.13 -2.16 119.26 125.31 1bw9 h ALA 5 Ca 0.27 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bw9 h ALA 5 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1bw9 h ALA 5 CO -0.05 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1bw9 n LEU 6 N -4.27 0.31 -3.41 0.00 4.77 0.10 -3.87 117.00 110.63 1bw9 n LEU 6 Ca 0.01 0.54 -0.39 0.00 -0.03 0.00 0.00 56.01 56.13 1bw9 n LEU 6 Cb 0.26 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1bw9 n LEU 6 CO 0.39 -0.16 2.64 -3.20 -1.33 0.00 0.00 177.39 175.73 1bw9 n ASN 7 N -1.81 8.20 -4.60 -1.43 2.85 -0.81 -4.91 115.26 112.75 1bw9 n ASN 7 Ca 0.05 -3.00 -0.33 0.00 -0.11 0.00 0.00 54.58 51.20 1bw9 n ASN 7 Cb 0.33 -1.41 -0.10 0.00 1.24 0.00 0.00 39.78 39.84 1bw9 n ASN 7 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1bw9 s TRP 8 N -0.33 2.93 -2.19 1.20 -0.00 -1.25 -5.02 118.94 114.28 1bw9 s TRP 8 Ca 0.58 -0.01 0.18 0.00 -0.00 0.00 0.00 56.10 56.85 1bw9 s TRP 8 Cb 0.19 -1.64 0.57 0.00 -0.00 0.00 0.00 33.47 32.59 1bw9 s TRP 8 CO -0.09 0.38 1.44 -0.40 -0.00 0.00 0.00 176.95 178.28 1bw9 n ASP 9 N 1.71 1.95 -4.26 5.86 5.68 -1.26 -4.97 116.55 121.27 1bw9 n ASP 9 Ca -0.16 -1.84 -0.29 0.00 -0.50 0.00 0.00 54.79 52.00 1bw9 n ASP 9 Cb 0.53 -0.17 0.22 0.00 -1.14 0.00 0.00 41.12 40.55 1bw9 n ASP 9 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1bw9 s GLY 10 N -1.35 1.55 0.21 6.12 0.00 -1.26 -4.96 107.32 107.64 1bw9 s GLY 10 Ca 0.30 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.49 1bw9 s GLY 10 CO 0.23 0.17 1.49 0.83 0.00 0.00 0.00 173.10 175.83 1bw9 h GLU 11 N -2.38 0.14 -1.52 2.90 5.08 -0.55 -3.47 114.58 114.78 1bw9 h GLU 11 Ca -0.52 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 57.81 1bw9 h GLU 11 Cb 1.32 0.03 -0.25 0.00 0.50 0.00 0.00 28.75 30.35 1bw9 h GLU 11 CO 0.47 0.81 0.56 1.41 -1.00 0.00 0.00 179.01 181.25 1bw9 s MET 12 N -3.46 0.51 -0.11 2.33 0.00 -0.87 -5.00 119.30 112.70 1bw9 s MET 12 Ca -0.02 0.27 0.02 0.00 0.00 0.00 0.00 55.69 55.95 1bw9 s MET 12 Cb 0.11 0.25 0.01 0.00 0.00 0.00 0.00 34.83 35.20 1bw9 s MET 12 CO 0.80 -0.13 -0.17 0.99 0.00 0.00 0.00 175.02 176.51 1bw9 s THR 13 N -0.66 1.63 -0.13 10.11 2.01 -1.26 0.38 115.64 127.73 1bw9 s THR 13 Ca 0.01 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.27 1bw9 s THR 13 Cb -0.02 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1bw9 s THR 13 CO -0.02 0.47 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.57 1bw9 s VAL 14 N 0.86 3.19 0.07 3.82 1.01 0.18 -4.97 120.40 124.57 1bw9 s VAL 14 Ca -0.09 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1bw9 s VAL 14 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1bw9 s VAL 14 CO -0.00 0.53 -0.05 0.42 0.00 0.00 0.00 175.10 176.00 1bw9 s THR 15 N 0.25 0.46 -0.09 3.92 -4.23 -1.26 -0.08 115.64 114.62 1bw9 s THR 15 Ca -0.08 -1.86 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 1bw9 s THR 15 Cb -0.15 -1.59 0.07 0.00 1.34 0.00 0.00 72.50 72.17 1bw9 s THR 15 CO 0.05 -0.93 0.69 -0.60 -0.54 0.00 0.00 174.62 173.29 1bw9 s ARG 16 N -3.84 1.01 -0.07 3.99 3.52 -0.65 -4.97 118.95 117.94 1bw9 s ARG 16 Ca 0.09 0.38 0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1bw9 s ARG 16 Cb 0.06 0.48 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 1bw9 s ARG 16 CO -0.07 -0.29 -0.15 0.12 -0.81 0.00 0.00 175.30 174.10 1bw9 s PHE 17 N -0.93 1.66 -0.48 5.12 5.36 -1.26 -0.29 117.98 127.16 1bw9 s PHE 17 Ca -0.09 -0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 55.21 1bw9 s PHE 17 Cb -0.01 -1.18 0.13 0.00 -0.34 0.00 0.00 43.02 41.61 1bw9 s PHE 17 CO 0.08 -0.29 0.31 0.34 -1.46 0.00 0.00 175.22 174.20 1bw9 s ASP 18 N 0.56 5.42 0.29 6.13 2.15 -0.22 -4.97 116.67 126.04 1bw9 s ASP 18 Ca -0.15 -2.17 0.02 0.00 0.43 0.00 0.00 52.55 50.68 1bw9 s ASP 18 Cb -0.16 -1.90 0.60 0.00 -0.30 0.00 0.00 42.92 41.16 1bw9 s ASP 18 CO 0.05 -0.56 1.81 -1.28 -0.17 0.00 0.00 175.17 175.02 1bw9 h SER 19 N 7.96 0.85 -0.85 -0.34 0.87 -1.93 0.79 113.55 120.90 1bw9 h SER 19 Ca -0.12 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.56 1bw9 h SER 19 Cb 1.04 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.84 1bw9 h SER 19 CO 0.75 0.40 0.53 -0.03 -0.53 0.00 0.00 176.83 177.95 1bw9 h MET 20 N 0.89 0.94 0.00 2.24 -1.53 -1.96 -2.72 114.93 112.79 1bw9 h MET 20 Ca 0.52 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.72 1bw9 h MET 20 Cb 0.62 -0.21 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 1bw9 h MET 20 CO -0.31 0.62 -1.56 0.25 0.14 0.00 0.00 176.91 176.05 1bw9 n THR 21 N -4.62 0.02 -1.00 -0.77 -2.24 -0.89 -4.96 114.28 99.82 1bw9 n THR 21 Ca 0.12 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1bw9 n THR 21 Cb 0.16 0.35 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1bw9 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bw9 n GLY 22 N 1.35 0.44 3.87 3.38 0.00 0.27 -4.70 105.19 109.79 1bw9 n GLY 22 Ca -0.01 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 1bw9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 s ALA 23 N -1.87 3.41 0.02 4.61 0.00 -1.12 -4.40 121.76 122.42 1bw9 s ALA 23 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.85 1bw9 s ALA 23 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1bw9 s ALA 23 CO 0.00 0.26 -0.12 -1.01 0.00 0.00 0.00 175.76 174.89 1bw9 s HIS 24 N -2.07 2.74 -0.05 0.00 0.09 -0.78 -1.05 115.29 114.17 1bw9 s HIS 24 Ca 0.51 -0.14 0.04 0.00 -0.00 0.00 0.00 55.06 55.48 1bw9 s HIS 24 Cb -0.10 -1.55 -0.00 0.00 -0.00 0.00 0.00 32.58 30.92 1bw9 s HIS 24 CO 0.24 0.31 -0.18 -0.06 -0.00 0.00 0.00 174.74 175.05 1bw9 s PHE 25 N -0.96 1.87 -0.03 1.40 0.40 0.60 -0.63 117.98 120.64 1bw9 s PHE 25 Ca 0.16 -0.58 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 1bw9 s PHE 25 Cb -0.11 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.17 1bw9 s PHE 25 CO 0.06 -0.21 -0.06 0.08 0.70 0.00 0.00 175.22 175.80 1bw9 s VAL 26 N 0.09 0.59 -0.11 -0.44 1.01 0.08 -1.64 120.40 119.98 1bw9 s VAL 26 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1bw9 s VAL 26 Cb -0.13 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1bw9 s VAL 26 CO 0.03 0.21 -0.13 -0.63 0.00 0.00 0.00 175.10 174.58 1bw9 s ILE 27 N 0.52 1.39 -0.13 2.22 1.01 0.89 -0.03 121.20 127.06 1bw9 s ILE 27 Ca -0.07 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1bw9 s ILE 27 Cb -0.11 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1bw9 s ILE 27 CO 0.00 0.42 -0.19 -0.13 0.00 0.00 0.00 174.94 175.04 1bw9 s ARG 28 N 1.13 3.13 -0.47 2.79 0.52 0.46 0.49 118.95 127.00 1bw9 s ARG 28 Ca -0.04 -0.81 -0.12 0.00 -0.52 0.00 0.00 55.73 54.24 1bw9 s ARG 28 Cb -0.14 -2.48 0.10 0.00 0.52 0.00 0.00 34.95 32.95 1bw9 s ARG 28 CO -0.03 0.08 0.36 -0.51 0.02 0.00 0.00 175.30 175.21 1bw9 s LEU 29 N 0.63 5.61 -0.02 2.53 1.02 0.16 -1.04 118.68 127.56 1bw9 s LEU 29 Ca -0.10 -1.64 -0.25 0.00 0.02 0.00 0.00 54.13 52.15 1bw9 s LEU 29 Cb -0.16 -2.08 -0.20 0.00 0.02 0.00 0.00 46.19 43.77 1bw9 s LEU 29 CO 0.03 -0.67 1.22 -0.78 0.02 0.00 0.00 176.35 176.17 1bw9 h ASP 30 N 8.58 0.06 -4.41 2.29 3.58 -1.19 0.16 116.42 125.51 1bw9 h ASP 30 Ca -0.25 -0.54 -0.09 0.00 0.42 0.00 0.00 57.03 56.57 1bw9 h ASP 30 Cb 1.09 -0.02 -0.21 0.00 1.72 0.00 0.00 39.33 41.91 1bw9 h ASP 30 CO 0.87 0.59 -0.08 -0.55 -2.88 0.00 0.00 179.24 177.19 1bw9 s SER 31 N -5.83 -0.49 -0.13 2.28 0.15 -0.96 -2.86 113.70 105.86 1bw9 s SER 31 Ca -0.16 0.76 0.17 0.00 0.70 0.00 0.00 55.95 57.42 1bw9 s SER 31 Cb 0.02 0.78 0.28 0.00 -1.71 0.00 0.00 66.02 65.39 1bw9 s SER 31 CO 0.69 -0.34 1.15 0.35 1.20 0.00 0.00 173.24 176.29 1bw9 n THR 32 N 2.03 1.75 0.01 6.45 -2.24 -1.26 -1.36 114.28 119.66 1bw9 n THR 32 Ca -0.17 -2.18 -0.12 0.00 -2.27 0.00 0.00 64.05 59.32 1bw9 n THR 32 Cb 0.56 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1bw9 n THR 32 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1bw9 h GLN 33 N 0.12 0.09 0.00 -0.78 4.15 -1.94 -3.03 115.11 113.71 1bw9 h GLN 33 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1bw9 h GLN 33 Cb 1.04 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.71 1bw9 h GLN 33 CO 0.00 0.13 -0.21 1.28 -1.93 0.00 0.00 178.83 178.10 1bw9 n LEU 34 N -5.01 0.26 0.00 -2.39 4.77 -1.26 -5.00 117.00 108.37 1bw9 n LEU 34 Ca -0.06 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1bw9 n LEU 34 Cb 0.06 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1bw9 n LEU 34 CO 0.33 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1bw9 n GLY 35 N 1.48 -1.53 3.66 -0.72 0.00 -1.15 -3.66 105.19 103.27 1bw9 n GLY 35 Ca 0.06 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 1bw9 n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bw9 n PRO 36 N -0.35 1.38 -2.27 1.61 -0.02 -1.26 -2.05 135.00 132.05 1bw9 n PRO 36 Ca 0.00 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.59 1bw9 n PRO 36 Cb 0.00 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 1bw9 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bw9 s ALA 37 N -1.35 3.31 0.01 3.55 0.00 -0.29 0.88 121.76 127.86 1bw9 s ALA 37 Ca 0.69 1.05 -0.00 0.00 0.00 0.00 0.00 51.96 53.70 1bw9 s ALA 37 Cb -0.46 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.25 1bw9 s ALA 37 CO 0.52 -0.50 -0.00 0.00 0.00 0.00 0.00 175.76 175.78 1bw9 s ALA 38 N -1.28 0.03 0.00 0.00 0.00 -0.55 -0.75 121.76 119.21 1bw9 s ALA 38 Ca 0.52 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1bw9 s ALA 38 Cb -0.34 0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1bw9 s ALA 38 CO 0.44 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1bw9 n GLY 39 N 2.36 1.34 3.62 0.00 0.00 -0.79 -1.85 105.19 109.87 1bw9 n GLY 39 Ca -0.18 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 1bw9 n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw9 s GLY 40 N 0.00 1.58 -0.29 -0.02 0.00 -1.26 -3.26 107.32 104.07 1bw9 s GLY 40 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 44.72 43.83 1bw9 s GLY 40 CO 0.00 -0.02 0.03 -1.59 0.00 0.00 0.00 173.10 171.53 1bw9 s THR 41 N -3.03 3.48 -0.15 0.90 2.01 0.24 -1.51 115.64 117.58 1bw9 s THR 41 Ca 0.70 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 61.60 1bw9 s THR 41 Cb -0.11 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 1bw9 s THR 41 CO 0.56 0.03 0.26 -0.60 -0.69 0.00 0.00 174.62 174.19 1bw9 s ARG 42 N 1.40 4.16 -0.15 4.92 3.52 -0.22 -2.86 118.95 129.71 1bw9 s ARG 42 Ca -0.00 0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1bw9 s ARG 42 Cb -0.18 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1bw9 s ARG 42 CO 0.00 0.32 -0.15 0.00 -0.81 0.00 0.00 175.30 174.66 1bw9 s ALA 43 N 0.23 1.91 0.28 6.12 0.00 -0.06 -0.48 121.76 129.76 1bw9 s ALA 43 Ca 0.16 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 1bw9 s ALA 43 Cb -0.13 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.00 1bw9 s ALA 43 CO 0.04 -0.32 0.83 0.00 0.00 0.00 0.00 175.76 176.31 1bw9 s ALA 44 N 1.36 -1.19 0.06 0.00 0.00 -0.69 -4.43 121.76 116.86 1bw9 s ALA 44 Ca 0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 1bw9 s ALA 44 Cb -0.13 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.67 1bw9 s ALA 44 CO -0.09 -1.03 0.45 -0.65 0.00 0.00 0.00 175.76 174.44 1bw9 s GLN 45 N -3.05 3.91 0.11 0.00 -0.21 -1.26 -0.29 119.66 118.86 1bw9 s GLN 45 Ca 0.14 0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.97 1bw9 s GLN 45 Cb -0.04 -3.09 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 1bw9 s GLN 45 CO 0.07 0.60 -0.15 0.71 -2.12 0.00 0.00 175.29 174.41 1bw9 s TYR 46 N -1.26 1.41 0.04 0.91 1.51 -1.26 -4.93 117.35 113.76 1bw9 s TYR 46 Ca 0.30 -0.51 -0.17 0.00 -1.01 0.00 0.00 57.07 55.68 1bw9 s TYR 46 Cb -0.16 -0.75 -0.19 0.00 -0.11 0.00 0.00 41.96 40.75 1bw9 s TYR 46 CO 0.17 0.13 1.22 0.77 -1.11 0.00 0.00 175.55 176.72 1bw9 h SER 47 N 3.80 0.65 -4.36 2.29 0.02 -1.98 -3.45 113.55 110.52 1bw9 h SER 47 Ca -0.41 -0.66 -0.32 0.00 -0.84 0.00 0.00 61.79 59.56 1bw9 h SER 47 Cb 1.19 -0.19 -0.25 0.00 0.14 0.00 0.00 62.40 63.29 1bw9 h SER 47 CO 0.46 1.21 -0.75 0.20 -1.14 0.00 0.00 176.83 176.81 1bw9 s ASN 48 N -6.75 0.85 0.31 3.07 0.02 -1.26 -5.02 114.94 106.15 1bw9 s ASN 48 Ca -0.12 -0.35 0.05 0.00 -1.02 0.00 0.00 52.86 51.41 1bw9 s ASN 48 Cb 0.06 -0.02 0.67 0.00 0.02 0.00 0.00 41.25 41.97 1bw9 s ASN 48 CO 0.84 -0.06 1.83 0.25 0.02 0.00 0.00 177.10 179.98 1bw9 h LEU 49 N 5.18 0.82 -1.19 0.60 5.85 -2.01 -0.73 115.31 123.84 1bw9 h LEU 49 Ca -0.33 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.57 1bw9 h LEU 49 Cb 1.19 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1bw9 h LEU 49 CO 0.45 0.40 0.59 0.00 -0.34 0.00 0.00 178.44 179.54 1bw9 h ALA 50 N 1.58 1.69 -0.26 1.25 0.00 -1.95 0.16 119.26 121.72 1bw9 h ALA 50 Ca 0.50 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 1bw9 h ALA 50 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bw9 h ALA 50 CO -0.27 0.09 -0.26 -0.44 0.00 0.00 0.00 179.25 178.37 1bw9 h ASP 51 N 0.83 0.50 -0.41 0.00 3.32 -1.51 0.54 116.42 119.69 1bw9 h ASP 51 Ca 0.45 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 1bw9 h ASP 51 Cb 0.55 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1bw9 h ASP 51 CO -0.21 0.75 -0.00 0.00 -1.72 0.00 0.00 179.24 178.06 1bw9 h ALA 52 N 1.29 0.55 -0.16 3.45 0.00 -0.68 0.92 119.26 124.63 1bw9 h ALA 52 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1bw9 h ALA 52 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bw9 h ALA 52 CO 0.05 0.34 0.07 -0.07 0.00 0.00 0.00 179.25 179.64 1bw9 h LEU 53 N 0.56 0.21 -0.72 0.00 3.38 -0.73 -0.24 115.31 117.77 1bw9 h LEU 53 Ca 0.12 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1bw9 h LEU 53 Cb 0.49 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1bw9 h LEU 53 CO 0.02 0.29 0.43 0.00 0.09 0.00 0.00 178.44 179.28 1bw9 h THR 54 N 0.12 1.21 -0.39 0.22 1.03 -0.79 -1.42 112.91 112.88 1bw9 h THR 54 Ca 0.05 -0.46 -0.00 0.00 -0.01 0.00 0.00 66.41 65.99 1bw9 h THR 54 Cb 0.14 0.21 -0.02 0.00 -1.07 0.00 0.00 68.15 67.40 1bw9 h THR 54 CO -0.01 0.22 0.23 0.44 -0.01 0.00 0.00 175.52 176.39 1bw9 h ASP 55 N 0.99 0.48 -0.90 0.00 5.19 -0.66 -0.83 116.42 120.69 1bw9 h ASP 55 Ca 0.26 -0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1bw9 h ASP 55 Cb -0.03 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 39.31 1bw9 h ASP 55 CO -0.05 0.41 0.59 0.00 -3.12 0.00 0.00 179.24 177.07 1bw9 h ALA 56 N 1.09 1.18 -0.33 3.45 0.00 -0.66 0.80 119.26 124.80 1bw9 h ALA 56 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1bw9 h ALA 56 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1bw9 h ALA 56 CO -0.03 0.47 0.05 0.78 0.00 0.00 0.00 179.25 180.53 1bw9 h GLY 57 N 1.16 0.60 1.14 0.00 0.00 -0.83 0.14 103.07 105.27 1bw9 h GLY 57 Ca 0.35 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.19 1bw9 h GLY 57 CO -0.11 0.37 0.01 0.50 0.00 0.00 0.00 176.54 177.31 1bw9 h LYS 58 N 0.38 1.03 -0.58 4.80 1.57 -0.76 -0.79 116.57 122.23 1bw9 h LYS 58 Ca 0.10 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.46 1bw9 h LYS 58 Cb 0.35 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1bw9 h LYS 58 CO 0.01 1.00 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.76 1bw9 h LEU 59 N 0.95 1.05 -0.75 2.94 3.38 -0.69 -1.76 115.31 120.43 1bw9 h LEU 59 Ca 0.17 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1bw9 h LEU 59 Cb 0.53 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1bw9 h LEU 59 CO 0.03 1.13 0.27 0.00 0.09 0.00 0.00 178.44 179.96 1bw9 h ALA 60 N 0.96 0.97 -0.60 1.53 0.00 -0.50 -1.50 119.26 120.13 1bw9 h ALA 60 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1bw9 h ALA 60 Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1bw9 h ALA 60 CO 0.04 0.62 0.02 0.78 0.00 0.00 0.00 179.25 180.71 1bw9 h GLY 61 N 1.09 1.11 1.57 0.00 0.00 -1.01 -1.87 103.07 103.97 1bw9 h GLY 61 Ca 0.25 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 1bw9 h GLY 61 CO -0.01 0.73 -0.08 0.00 0.00 0.00 0.00 176.54 177.18 1bw9 h ALA 62 N 1.06 1.27 -0.70 3.60 0.00 -1.01 -2.72 119.26 120.76 1bw9 h ALA 62 Ca 0.17 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1bw9 h ALA 62 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1bw9 h ALA 62 CO 0.03 0.48 0.21 0.52 0.00 0.00 0.00 179.25 180.49 1bw9 h MET 63 N 0.49 1.10 -0.19 0.00 2.86 -0.57 0.38 114.93 119.00 1bw9 h MET 63 Ca 0.10 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1bw9 h MET 63 Cb 0.44 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1bw9 h MET 63 CO 0.02 0.95 -0.12 1.15 1.06 0.00 0.00 176.91 179.97 1bw9 h THR 64 N 1.04 0.64 -0.51 2.22 2.02 -1.06 -0.75 112.91 116.51 1bw9 h THR 64 Ca 0.22 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.30 1bw9 h THR 64 Cb 0.32 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1bw9 h THR 64 CO -0.00 0.00 -0.11 -0.07 0.37 0.00 0.00 175.52 175.71 1bw9 h LEU 65 N -0.12 0.97 -0.12 2.58 3.38 -1.32 -2.22 115.31 118.47 1bw9 h LEU 65 Ca 0.11 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1bw9 h LEU 65 Cb 0.28 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1bw9 h LEU 65 CO -0.26 1.10 -0.00 0.50 0.09 0.00 0.00 178.44 179.87 1bw9 h LYS 66 N 0.83 0.04 -0.29 1.13 3.64 -0.61 0.34 116.57 121.66 1bw9 h LYS 66 Ca 0.13 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1bw9 h LYS 66 Cb 0.67 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1bw9 h LYS 66 CO 0.05 0.03 0.13 0.52 -2.27 0.00 0.00 179.45 177.91 1bw9 h MET 67 N 0.04 0.41 0.24 1.90 2.86 -1.10 -1.50 114.93 117.78 1bw9 h MET 67 Ca 0.05 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1bw9 h MET 67 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1bw9 h MET 67 CO -0.09 0.40 -0.20 0.00 1.06 0.00 0.00 176.91 178.08 1bw9 h ALA 68 N 0.99 -0.44 0.00 6.32 0.00 -1.15 0.16 119.26 125.14 1bw9 h ALA 68 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1bw9 h ALA 68 Cb 0.13 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bw9 h ALA 68 CO -0.01 -0.77 0.00 -0.24 0.00 0.00 0.00 179.25 178.23 1bw9 h VAL 69 N -0.46 0.00 -0.38 0.00 3.04 -0.31 -2.63 116.25 115.51 1bw9 h VAL 69 Ca -0.01 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1bw9 h VAL 69 Cb 0.41 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1bw9 h VAL 69 CO -0.02 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.34 1bw9 n SER 70 N -3.05 2.72 -2.96 3.17 7.64 -0.57 -4.93 113.62 115.64 1bw9 n SER 70 Ca 0.01 -1.91 -0.22 0.00 1.01 0.00 0.00 58.87 57.75 1bw9 n SER 70 Cb 0.30 -0.25 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1bw9 n SER 70 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bw9 n ASN 71 N 0.99 -6.09 -4.65 6.43 5.03 -0.79 -5.00 115.26 111.18 1bw9 n ASN 71 Ca 0.18 -0.28 -0.35 0.00 0.87 0.00 0.00 54.58 55.00 1bw9 n ASN 71 Cb 0.47 -4.91 -0.09 0.00 -1.02 0.00 0.00 39.78 34.22 1bw9 n ASN 71 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1bw9 s LEU 72 N -6.57 3.84 -1.51 3.41 1.43 0.49 -5.00 118.68 114.76 1bw9 s LEU 72 Ca 0.29 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1bw9 s LEU 72 Cb -0.13 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1bw9 s LEU 72 CO 0.36 0.20 2.66 -0.81 0.23 0.00 0.00 176.35 178.99 1bw9 n PRO 73 N 3.38 3.28 -3.81 1.29 -0.04 -1.26 -4.35 135.00 133.49 1bw9 n PRO 73 Ca -0.17 -2.27 -0.10 0.00 -0.04 0.00 0.00 63.50 60.92 1bw9 n PRO 73 Cb 0.52 -2.93 -0.07 0.00 -0.04 0.00 0.00 33.50 30.98 1bw9 n PRO 73 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1bw9 s MET 74 N 2.65 0.80 0.37 0.54 -1.94 -1.24 -4.32 119.30 116.15 1bw9 s MET 74 Ca 0.61 -0.70 -0.03 0.00 -1.71 0.00 0.00 55.69 53.86 1bw9 s MET 74 Cb 0.16 0.33 0.08 0.00 2.01 0.00 0.00 34.83 37.41 1bw9 s MET 74 CO -0.06 -0.25 0.50 0.41 -0.01 0.00 0.00 175.02 175.61 1bw9 n GLY 75 N 0.37 -0.16 3.34 -0.03 0.00 0.25 -4.43 105.19 104.53 1bw9 n GLY 75 Ca -0.17 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1bw9 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bw9 s GLY 76 N -3.88 1.43 0.21 -0.02 0.00 -0.47 -1.49 107.32 103.11 1bw9 s GLY 76 Ca 0.31 -0.97 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 1bw9 s GLY 76 CO 0.21 -0.47 0.45 -0.32 0.00 0.00 0.00 173.10 172.97 1bw9 s GLY 77 N -0.03 0.31 -0.07 0.20 0.00 -0.77 -0.73 107.32 106.24 1bw9 s GLY 77 Ca -0.06 -0.67 -0.31 0.00 0.00 0.00 0.00 44.72 43.69 1bw9 s GLY 77 CO 0.05 -0.55 0.72 1.25 0.00 0.00 0.00 173.10 174.56 1bw9 s LYS 78 N -3.96 1.00 0.04 2.90 2.47 -0.21 -2.92 119.74 119.06 1bw9 s LYS 78 Ca 0.17 0.29 0.08 0.00 -1.56 0.00 0.00 55.97 54.95 1bw9 s LYS 78 Cb 0.00 0.47 -0.03 0.00 -1.46 0.00 0.00 37.83 36.81 1bw9 s LYS 78 CO 0.03 -0.30 -0.23 -1.12 0.16 0.00 0.00 175.35 173.89 1bw9 s SER 79 N -1.10 3.45 -0.08 1.43 0.01 -0.57 -0.40 113.70 116.45 1bw9 s SER 79 Ca -0.09 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1bw9 s SER 79 Cb -0.00 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.81 1bw9 s SER 79 CO 0.09 0.26 -0.06 -0.69 0.41 0.00 0.00 173.24 173.25 1bw9 s VAL 80 N -0.85 0.78 -0.29 3.43 1.01 0.95 -1.06 120.40 124.37 1bw9 s VAL 80 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 1bw9 s VAL 80 Cb -0.10 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.48 1bw9 s VAL 80 CO 0.03 0.31 0.08 -0.63 0.00 0.00 0.00 175.10 174.88 1bw9 s ILE 81 N 1.37 3.94 -0.59 2.22 1.01 0.37 -0.74 121.20 128.77 1bw9 s ILE 81 Ca -0.03 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.69 1bw9 s ILE 81 Cb -0.14 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.36 1bw9 s ILE 81 CO -0.03 0.09 0.99 0.00 0.00 0.00 0.00 174.94 175.99 1bw9 s ALA 82 N 1.50 3.11 0.39 9.38 0.00 0.20 -1.71 121.76 134.62 1bw9 s ALA 82 Ca 0.03 -1.35 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 1bw9 s ALA 82 Cb -0.17 -3.83 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 1bw9 s ALA 82 CO 0.02 -2.56 1.19 -0.51 0.00 0.00 0.00 175.76 173.90 1bw9 s LEU 83 N 4.19 4.24 0.00 0.00 1.43 0.60 -1.86 118.68 127.28 1bw9 s LEU 83 Ca 0.30 2.39 0.29 0.00 -1.03 0.00 0.00 54.13 56.08 1bw9 s LEU 83 Cb -0.13 -3.96 1.22 0.00 0.03 0.00 0.00 46.19 43.35 1bw9 s LEU 83 CO 0.17 -0.64 1.88 -0.81 0.23 0.00 0.00 176.35 177.18 1bw9 n PRO 84 N 0.21 0.27 -3.66 1.29 -0.04 -1.26 -4.51 135.00 127.30 1bw9 n PRO 84 Ca 0.04 -0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1bw9 n PRO 84 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1bw9 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bw9 s ALA 85 N -2.77 -1.37 0.16 0.55 0.00 -1.26 -5.08 121.76 111.99 1bw9 s ALA 85 Ca 0.21 0.05 -0.34 0.00 0.00 0.00 0.00 51.96 51.88 1bw9 s ALA 85 Cb 0.19 0.87 -0.14 0.00 0.00 0.00 0.00 23.12 24.04 1bw9 s ALA 85 CO 0.52 -0.91 1.53 -2.30 0.00 0.00 0.00 175.76 174.61 1bw9 n PRO 86 N -0.42 2.02 -0.46 0.00 -0.02 -1.26 -4.79 135.00 130.07 1bw9 n PRO 86 Ca -0.10 0.73 0.38 0.00 -2.02 0.00 0.00 63.50 62.48 1bw9 n PRO 86 Cb 0.62 -2.47 0.67 0.00 -0.02 0.00 0.00 33.50 32.29 1bw9 n PRO 86 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1bw9 h ARG 87 N 5.59 0.09 -0.17 -0.52 9.65 -1.96 0.55 114.38 127.61 1bw9 h ARG 87 Ca -0.45 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 58.35 1bw9 h ARG 87 Cb 1.27 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1bw9 h ARG 87 CO 0.86 0.06 -0.23 1.12 2.80 0.00 0.00 179.97 184.58 1bw9 h HIS 88 N 0.09 0.33 0.00 2.20 2.07 -2.02 -3.01 115.15 114.80 1bw9 h HIS 88 Ca 0.80 -0.06 -0.03 0.00 -2.85 0.00 0.00 60.37 58.24 1bw9 h HIS 88 Cb 2.62 -0.08 -0.00 0.00 2.57 0.00 0.00 27.41 32.52 1bw9 h HIS 88 CO -0.00 0.52 -0.14 0.66 -3.07 0.00 0.00 177.93 175.89 1bw9 h SER 89 N 0.27 0.00 -2.54 3.10 4.64 -1.22 -3.46 113.55 114.34 1bw9 h SER 89 Ca 0.05 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.82 1bw9 h SER 89 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1bw9 h SER 89 CO 0.04 0.14 1.16 -0.63 -0.87 0.00 0.00 176.83 176.67 1bw9 s ILE 90 N -3.18 3.44 0.72 0.95 1.01 -1.14 -4.96 121.20 118.04 1bw9 s ILE 90 Ca 0.06 0.52 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 1bw9 s ILE 90 Cb 0.06 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.19 1bw9 s ILE 90 CO 0.68 -0.09 1.10 1.51 0.00 0.00 0.00 174.94 178.15 1bw9 s ASP 91 N 4.11 4.75 0.42 3.58 1.47 -1.26 -4.76 116.67 124.97 1bw9 s ASP 91 Ca 0.78 1.93 0.13 0.00 1.18 0.00 0.00 52.55 56.57 1bw9 s ASP 91 Cb -0.34 -2.54 0.99 0.00 -0.34 0.00 0.00 42.92 40.70 1bw9 s ASP 91 CO 0.32 -1.87 1.96 -0.65 0.68 0.00 0.00 175.17 175.62 1bw9 h PRO 92 N -0.57 0.45 -0.27 2.11 0.11 -1.98 -0.49 132.00 131.36 1bw9 h PRO 92 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1bw9 h PRO 92 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1bw9 h PRO 92 CO 0.52 0.30 -0.04 0.77 -0.21 0.00 0.00 178.00 179.34 1bw9 h SER 93 N 0.46 0.50 -0.46 -2.05 0.02 -1.99 -0.80 113.55 109.22 1bw9 h SER 93 Ca 0.30 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1bw9 h SER 93 Cb 0.56 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1bw9 h SER 93 CO -0.09 0.73 0.15 0.74 -1.14 0.00 0.00 176.83 177.22 1bw9 h THR 94 N 0.26 1.22 -0.44 -2.27 2.02 -1.75 -0.48 112.91 111.48 1bw9 h THR 94 Ca 0.07 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.53 1bw9 h THR 94 Cb 0.50 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1bw9 h THR 94 CO 0.02 0.27 0.25 -0.25 0.37 0.00 0.00 175.52 176.18 1bw9 h TRP 95 N 0.61 0.48 -0.89 3.16 2.91 -1.06 0.89 115.95 122.05 1bw9 h TRP 95 Ca 0.15 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.21 1bw9 h TRP 95 Cb 0.26 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 28.71 1bw9 h TRP 95 CO 0.01 0.27 0.58 0.00 -1.03 0.00 0.00 178.44 178.28 1bw9 h ALA 96 N 1.20 1.15 -0.55 2.65 0.00 -0.91 -0.50 119.26 122.30 1bw9 h ALA 96 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1bw9 h ALA 96 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1bw9 h ALA 96 CO -0.08 0.47 -0.04 -0.09 0.00 0.00 0.00 179.25 179.50 1bw9 h ARG 97 N 1.15 0.99 -0.29 0.00 2.43 -0.33 -1.01 114.38 117.33 1bw9 h ARG 97 Ca 0.34 -0.34 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1bw9 h ARG 97 Cb -0.05 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1bw9 h ARG 97 CO -0.10 1.02 0.11 0.82 -1.51 0.00 0.00 179.97 180.31 1bw9 h ILE 98 N 0.87 0.94 -0.79 1.20 2.04 -0.34 -0.92 117.51 120.51 1bw9 h ILE 98 Ca 0.15 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1bw9 h ILE 98 Cb 0.60 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1bw9 h ILE 98 CO 0.04 0.04 0.31 -0.07 0.00 0.00 0.00 178.15 178.48 1bw9 h LEU 99 N 0.24 1.09 -0.78 1.44 3.38 -0.92 -0.98 115.31 118.79 1bw9 h LEU 99 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1bw9 h LEU 99 Cb 0.08 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1bw9 h LEU 99 CO -0.12 0.97 0.40 -0.09 0.09 0.00 0.00 178.44 179.69 1bw9 h ARG 100 N 1.15 1.10 -0.38 1.13 2.43 -0.69 0.45 114.38 119.57 1bw9 h ARG 100 Ca 0.26 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1bw9 h ARG 100 Cb 0.22 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1bw9 h ARG 100 CO -0.02 0.84 0.08 0.82 -1.51 0.00 0.00 179.97 180.18 1bw9 h ILE 101 N 1.09 1.23 -0.41 1.20 2.04 -0.85 -1.18 117.51 120.63 1bw9 h ILE 101 Ca 0.27 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1bw9 h ILE 101 Cb 0.08 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1bw9 h ILE 101 CO -0.04 0.27 0.20 -0.74 0.00 0.00 0.00 178.15 177.84 1bw9 h HIS 102 N 0.47 0.37 -0.93 1.37 2.76 -0.79 -1.52 115.15 116.88 1bw9 h HIS 102 Ca 0.12 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.37 1bw9 h HIS 102 Cb 0.32 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.11 1bw9 h HIS 102 CO 0.02 0.19 0.58 0.00 -1.30 0.00 0.00 177.93 177.42 1bw9 h ALA 103 N 1.22 1.29 -0.85 5.26 0.00 -0.61 -0.75 119.26 124.81 1bw9 h ALA 103 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1bw9 h ALA 103 Cb 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1bw9 h ALA 103 CO -0.13 0.34 0.43 0.93 0.00 0.00 0.00 179.25 180.82 1bw9 h GLU 104 N 1.05 1.20 -0.37 0.00 5.08 -0.31 0.75 114.58 121.97 1bw9 h GLU 104 Ca 0.41 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1bw9 h GLU 104 Cb 0.20 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1bw9 h GLU 104 CO -0.18 0.90 0.11 -0.91 -1.00 0.00 0.00 179.01 177.92 1bw9 h ASN 105 N 1.19 0.55 -0.87 1.42 2.35 -0.51 -1.86 115.58 117.85 1bw9 h ASN 105 Ca 0.29 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1bw9 h ASN 105 Cb 0.07 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 1bw9 h ASN 105 CO -0.04 0.62 0.47 0.40 -1.65 0.00 0.00 177.43 177.23 1bw9 h ILE 106 N 0.45 1.25 -0.58 2.81 2.04 -0.86 -2.48 117.51 120.14 1bw9 h ILE 106 Ca 0.12 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1bw9 h ILE 106 Cb 0.27 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1bw9 h ILE 106 CO -0.00 0.29 0.30 -0.78 0.00 0.00 0.00 178.15 177.96 1bw9 h ASP 107 N 1.22 0.71 0.52 1.72 3.58 -0.43 -1.28 116.42 122.47 1bw9 h ASP 107 Ca 0.31 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.69 1bw9 h ASP 107 Cb 0.04 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 1bw9 h ASP 107 CO -0.05 0.59 -0.03 0.11 -2.88 0.00 0.00 179.24 176.97 1bw9 h LYS 108 N 0.81 0.00 0.00 0.28 1.57 -0.86 -1.06 116.57 117.31 1bw9 h LYS 108 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1bw9 h LYS 108 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1bw9 h LYS 108 CO -0.03 0.03 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1bw9 n LEU 109 N -3.22 0.00 -4.17 2.94 4.77 -0.48 -4.91 117.00 111.92 1bw9 n LEU 109 Ca -0.01 0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 55.98 1bw9 n LEU 109 Cb 0.21 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1bw9 n LEU 109 CO 0.25 -0.07 -0.29 -1.54 -1.33 0.00 0.00 177.39 174.41 1bw9 n SER 110 N -1.42 -1.99 0.00 -1.43 3.41 -0.40 -0.77 113.62 111.02 1bw9 n SER 110 Ca 0.08 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1bw9 n SER 110 Cb 0.25 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.64 1bw9 n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bw9 n GLY 111 N -2.29 1.11 0.01 5.00 0.00 -1.26 -4.86 105.19 102.89 1bw9 n GLY 111 Ca -0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.97 1bw9 n GLY 111 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bw9 n ASN 112 N 0.00 0.04 -3.71 1.61 3.02 0.05 -4.67 115.26 111.60 1bw9 n ASN 112 Ca 0.00 -0.06 -0.14 0.00 -0.03 0.00 0.00 54.58 54.35 1bw9 n ASN 112 Cb 0.00 -0.30 -0.14 0.00 -0.61 0.00 0.00 39.78 38.73 1bw9 n ASN 112 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bw9 s TYR 113 N -2.64 -0.27 -0.15 3.10 5.04 -1.26 -1.14 117.35 120.04 1bw9 s TYR 113 Ca 0.26 0.70 -0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1bw9 s TYR 113 Cb 0.20 -0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 1bw9 s TYR 113 CO 0.48 -0.25 -0.14 -1.58 -1.34 0.00 0.00 175.55 172.72 1bw9 s TRP 114 N 1.69 2.80 0.67 4.97 0.52 0.07 -4.84 118.94 124.82 1bw9 s TRP 114 Ca -0.04 -0.94 0.04 0.00 0.02 0.00 0.00 56.10 55.18 1bw9 s TRP 114 Cb -0.11 -1.89 0.12 0.00 -1.15 0.00 0.00 33.47 30.44 1bw9 s TRP 114 CO -0.07 -0.41 0.92 -2.37 0.02 0.00 0.00 176.95 175.03 1bw9 n THR 115 N 3.97 0.00 -3.75 2.01 5.66 -0.50 -1.89 114.28 119.78 1bw9 n THR 115 Ca -0.19 -1.72 -0.01 0.00 -3.05 0.00 0.00 64.05 59.09 1bw9 n THR 115 Cb 0.52 -0.74 0.01 0.00 -1.55 0.00 0.00 70.33 68.57 1bw9 n THR 115 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bw9 n GLY 116 N -2.41 0.79 3.87 1.09 0.00 -1.20 -0.41 105.19 106.92 1bw9 n GLY 116 Ca 0.16 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 1bw9 n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bw9 s PRO 117 N -2.02 3.64 0.00 1.61 0.02 -1.26 -0.59 135.00 136.39 1bw9 s PRO 117 Ca 0.13 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1bw9 s PRO 117 Cb -0.01 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1bw9 s PRO 117 CO 0.02 -0.43 0.00 -3.47 -0.33 0.00 0.00 177.00 172.79 1bw9 n ASP 118 N -2.43 0.00 -4.66 2.53 -0.08 -1.14 -4.24 116.55 106.53 1bw9 n ASP 118 Ca 0.05 -0.30 -0.51 0.00 -1.51 0.00 0.00 54.79 52.52 1bw9 n ASP 118 Cb 0.54 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 1bw9 n ASP 118 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1bw9 n VAL 119 N 0.00 0.20 -1.04 5.18 0.31 -1.26 -1.52 118.33 120.20 1bw9 n VAL 119 Ca 0.00 -0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1bw9 n VAL 119 Cb 0.00 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 31.61 1bw9 n VAL 119 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1bw9 n ASN 120 N 4.29 -4.22 -4.14 4.52 3.02 -1.26 -0.88 115.26 116.60 1bw9 n ASN 120 Ca 0.21 0.03 -0.21 0.00 -0.03 0.00 0.00 54.58 54.58 1bw9 n ASN 120 Cb 0.22 -1.84 -0.14 0.00 -0.61 0.00 0.00 39.78 37.41 1bw9 n ASN 120 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1bw9 s THR 121 N -1.70 1.14 0.12 3.41 -4.23 -0.58 -4.76 115.64 109.04 1bw9 s THR 121 Ca 0.00 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1bw9 s THR 121 Cb 0.00 -1.01 -0.01 0.00 1.34 0.00 0.00 72.50 72.83 1bw9 s THR 121 CO 0.00 0.11 0.07 -0.46 -0.54 0.00 0.00 174.62 173.80 1bw9 n ASN 122 N 2.16 0.42 -0.01 3.99 0.23 -1.26 -3.92 115.26 116.86 1bw9 n ASN 122 Ca -0.17 -1.68 0.02 0.00 -0.53 0.00 0.00 54.58 52.22 1bw9 n ASN 122 Cb 0.55 0.42 0.36 0.00 -2.08 0.00 0.00 39.78 39.03 1bw9 n ASN 122 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1bw9 h SER 123 N 0.57 0.50 -0.49 0.53 4.64 -1.95 -0.51 113.55 116.85 1bw9 h SER 123 Ca -0.09 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1bw9 h SER 123 Cb 0.38 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1bw9 h SER 123 CO 0.13 0.44 0.27 0.00 -0.87 0.00 0.00 176.83 176.81 1bw9 h ALA 124 N 1.64 0.63 -0.59 5.18 0.00 -1.96 0.31 119.26 124.47 1bw9 h ALA 124 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1bw9 h ALA 124 Cb 0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1bw9 h ALA 124 CO -0.02 0.16 0.16 -0.44 0.00 0.00 0.00 179.25 179.11 1bw9 h ASP 125 N 0.66 0.85 -0.74 0.00 3.32 -1.74 -1.16 116.42 117.61 1bw9 h ASP 125 Ca 0.17 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1bw9 h ASP 125 Cb 0.05 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1bw9 h ASP 125 CO -0.03 0.82 0.33 0.24 -1.72 0.00 0.00 179.24 178.88 1bw9 h MET 126 N 0.88 1.09 -0.60 3.56 2.86 -0.33 0.15 114.93 122.52 1bw9 h MET 126 Ca 0.19 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1bw9 h MET 126 Cb 0.30 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 1bw9 h MET 126 CO -0.00 0.86 0.27 -0.44 1.06 0.00 0.00 176.91 178.65 1bw9 h ASP 127 N 1.08 0.81 -0.31 1.22 3.32 -0.27 0.33 116.42 122.59 1bw9 h ASP 127 Ca 0.26 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1bw9 h ASP 127 Cb 0.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1bw9 h ASP 127 CO -0.03 0.74 0.18 0.74 -1.72 0.00 0.00 179.24 179.15 1bw9 h THR 128 N 0.83 1.12 -0.65 0.35 2.02 -0.56 -1.94 112.91 114.08 1bw9 h THR 128 Ca 0.20 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1bw9 h THR 128 Cb 0.16 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 1bw9 h THR 128 CO -0.02 0.12 0.37 -0.07 0.37 0.00 0.00 175.52 176.28 1bw9 h LEU 129 N 0.39 0.55 -0.29 2.58 3.38 -0.31 -0.99 115.31 120.61 1bw9 h LEU 129 Ca 0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bw9 h LEU 129 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1bw9 h LEU 129 CO -0.02 0.36 0.00 -3.20 0.09 0.00 0.00 178.44 175.67 1bw9 n ASN 130 N -4.78 0.18 0.07 -0.43 4.05 0.07 -0.99 115.26 113.42 1bw9 n ASN 130 Ca 0.08 0.56 -0.01 0.00 0.45 0.00 0.00 54.58 55.65 1bw9 n ASN 130 Cb 0.16 -0.59 0.26 0.00 1.23 0.00 0.00 39.78 40.84 1bw9 n ASN 130 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 1bw9 h ASP 131 N 0.00 0.33 0.00 1.20 3.32 -0.43 -3.34 116.42 117.50 1bw9 h ASP 131 Ca 0.00 -0.11 -0.38 0.00 0.02 0.00 0.00 57.03 56.57 1bw9 h ASP 131 Cb 0.15 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 1bw9 h ASP 131 CO 0.00 0.60 -2.43 0.41 -1.72 0.00 0.00 179.24 176.10 1bw9 n THR 132 N -4.13 1.44 -4.16 0.35 -1.04 -0.17 -5.02 114.28 101.55 1bw9 n THR 132 Ca -0.01 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.05 61.25 1bw9 n THR 132 Cb 0.39 -1.27 -0.12 0.00 -1.82 0.00 0.00 70.33 67.50 1bw9 n THR 132 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1bw9 s THR 133 N -2.50 0.71 0.21 12.58 -1.32 -0.16 -4.93 115.64 120.21 1bw9 s THR 133 Ca -0.31 -0.92 -0.03 0.00 -1.21 0.00 0.00 61.69 59.22 1bw9 s THR 133 Cb 0.08 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 1bw9 s THR 133 CO 0.61 -0.18 1.57 -0.08 -2.21 0.00 0.00 174.62 174.33 1bw9 h GLU 134 N 4.87 0.62 -3.59 7.08 4.81 -1.87 -3.33 114.58 123.16 1bw9 h GLU 134 Ca -0.35 -0.32 -0.53 0.00 -0.13 0.00 0.00 59.36 58.02 1bw9 h GLU 134 Cb 1.19 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.60 1bw9 h GLU 134 CO 0.43 0.92 2.90 1.19 -0.73 0.00 0.00 179.01 183.72 1bw9 n PHE 135 N -4.02 1.94 -4.00 0.92 3.72 -1.26 -4.85 117.46 109.91 1bw9 n PHE 135 Ca -0.02 -2.31 -0.19 0.00 -0.05 0.00 0.00 57.45 54.88 1bw9 n PHE 135 Cb 0.53 -1.97 -0.17 0.00 -0.94 0.00 0.00 39.48 36.94 1bw9 n PHE 135 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1bw9 s VAL 136 N 3.40 0.36 0.33 -4.37 1.01 -1.26 -1.40 120.40 118.47 1bw9 s VAL 136 Ca 0.51 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.56 1bw9 s VAL 136 Cb 0.13 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1bw9 s VAL 136 CO -0.02 0.20 0.38 -0.36 0.00 0.00 0.00 175.10 175.30 1bw9 s PHE 137 N 1.16 3.01 -0.22 5.22 0.08 0.46 -4.62 117.98 123.06 1bw9 s PHE 137 Ca -0.08 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1bw9 s PHE 137 Cb -0.14 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1bw9 s PHE 137 CO -0.02 0.10 0.00 0.41 -0.10 0.00 0.00 175.22 175.61 1bw9 n GLY 138 N -1.50 0.54 3.65 4.36 0.00 -1.26 -4.28 105.19 106.70 1bw9 n GLY 138 Ca -0.01 -0.99 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 1bw9 n GLY 138 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bw9 s ARG 139 N -2.18 0.67 0.78 1.61 0.52 -1.26 -4.30 118.95 114.79 1bw9 s ARG 139 Ca 0.00 1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 56.16 1bw9 s ARG 139 Cb 0.00 -1.72 0.07 0.00 0.52 0.00 0.00 34.95 33.81 1bw9 s ARG 139 CO 0.00 -2.71 1.11 -1.54 0.02 0.00 0.00 175.30 172.18 1bw9 s SER 140 N -2.96 4.25 0.20 0.23 1.04 -1.26 -0.81 113.70 114.39 1bw9 s SER 140 Ca 0.66 1.96 -0.11 0.00 0.48 0.00 0.00 55.95 58.94 1bw9 s SER 140 Cb -0.21 -2.54 0.23 0.00 0.10 0.00 0.00 66.02 63.60 1bw9 s SER 140 CO 0.59 -2.21 1.75 -0.07 0.98 0.00 0.00 173.24 174.28 1bw9 h LEU 141 N -1.05 0.22 -1.06 2.42 3.38 -1.90 0.05 115.31 117.37 1bw9 h LEU 141 Ca -0.44 0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1bw9 h LEU 141 Cb 1.24 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 1bw9 h LEU 141 CO 0.50 0.14 0.63 -0.33 0.09 0.00 0.00 178.44 179.47 1bw9 h GLU 142 N 0.40 1.07 0.00 1.13 5.08 -1.90 -1.25 114.58 119.11 1bw9 h GLU 142 Ca 0.28 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1bw9 h GLU 142 Cb 0.32 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1bw9 h GLU 142 CO -0.28 0.71 0.00 0.54 -1.00 0.00 0.00 179.01 178.98 1bw9 n ARG 143 N -4.51 0.17 0.00 2.33 5.12 -0.14 -4.87 116.66 114.77 1bw9 n ARG 143 Ca 0.15 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.16 1bw9 n ARG 143 Cb 0.21 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1bw9 n ARG 143 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bw9 n GLY 144 N 0.72 0.68 3.94 -0.13 0.00 -0.47 -4.89 105.19 105.04 1bw9 n GLY 144 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1bw9 n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw9 n GLY 145 N -1.51 0.39 1.00 -0.02 0.00 -0.37 -4.94 105.19 99.74 1bw9 n GLY 145 Ca 0.00 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.13 1bw9 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 n ALA 146 N -3.02 2.44 -0.67 4.61 0.00 -1.17 -4.01 120.51 118.69 1bw9 n ALA 146 Ca -0.17 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1bw9 n ALA 146 Cb 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1bw9 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw9 n GLY 147 N 1.40 0.36 3.76 0.00 0.00 0.01 -4.79 105.19 105.93 1bw9 n GLY 147 Ca 0.19 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 1bw9 n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bw9 s SER 148 N -4.00 6.37 0.00 1.61 0.15 -1.26 -4.65 113.70 111.92 1bw9 s SER 148 Ca 0.00 2.96 0.16 0.00 0.70 0.00 0.00 55.95 59.78 1bw9 s SER 148 Cb 0.00 -2.64 0.15 0.00 -1.71 0.00 0.00 66.02 61.81 1bw9 s SER 148 CO 0.00 -0.90 1.04 -1.54 1.20 0.00 0.00 173.24 173.04 1bw9 n SER 149 N 1.85 2.42 -0.12 5.45 3.41 -1.26 -4.65 113.62 120.71 1bw9 n SER 149 Ca 0.07 -1.70 -0.05 0.00 -0.26 0.00 0.00 58.87 56.93 1bw9 n SER 149 Cb 0.38 -0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1bw9 n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bw9 h ALA 150 N 3.22 0.32 -0.66 7.33 0.00 -1.92 -0.84 119.26 126.71 1bw9 h ALA 150 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1bw9 h ALA 150 Cb 0.69 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1bw9 h ALA 150 CO 0.00 -0.42 0.29 0.35 0.00 0.00 0.00 179.25 179.46 1bw9 h PHE 151 N 0.05 0.98 -0.93 0.00 3.57 -1.84 -1.12 116.94 117.65 1bw9 h PHE 151 Ca 0.19 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1bw9 h PHE 151 Cb 0.29 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1bw9 h PHE 151 CO -0.31 0.76 0.58 1.15 -2.23 0.00 0.00 178.31 178.26 1bw9 h THR 152 N 0.93 1.25 -0.33 4.41 2.02 -1.77 0.12 112.91 119.53 1bw9 h THR 152 Ca 0.22 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1bw9 h THR 152 Cb 0.17 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1bw9 h THR 152 CO -0.02 0.25 0.18 0.74 0.37 0.00 0.00 175.52 177.04 1bw9 h THR 153 N 1.27 1.14 -0.40 3.16 2.02 -0.66 -1.73 112.91 117.71 1bw9 h THR 153 Ca 0.34 -0.38 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1bw9 h THR 153 Cb -0.09 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1bw9 h THR 153 CO -0.07 0.15 0.11 0.00 0.37 0.00 0.00 175.52 176.08 1bw9 h ALA 154 N 1.04 0.45 -0.37 6.16 0.00 -0.43 0.14 119.26 126.24 1bw9 h ALA 154 Ca 0.12 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1bw9 h ALA 154 Cb 0.08 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1bw9 h ALA 154 CO -0.02 -0.29 0.03 0.28 0.00 0.00 0.00 179.25 179.25 1bw9 h VAL 155 N 0.25 0.76 -0.58 0.00 2.07 -0.71 0.27 116.25 118.30 1bw9 h VAL 155 Ca 0.19 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1bw9 h VAL 155 Cb 0.20 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1bw9 h VAL 155 CO -0.22 0.03 0.28 1.23 0.02 0.00 0.00 177.57 178.91 1bw9 h GLY 156 N 0.14 0.89 1.07 2.17 0.00 -0.56 0.12 103.07 106.91 1bw9 h GLY 156 Ca 0.18 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1bw9 h GLY 156 CO -0.28 0.42 0.25 -2.08 0.00 0.00 0.00 176.54 174.86 1bw9 h VAL 157 N 0.79 1.26 -0.18 4.60 2.07 -0.13 0.38 116.25 125.05 1bw9 h VAL 157 Ca 0.20 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1bw9 h VAL 157 Cb 0.11 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1bw9 h VAL 157 CO -0.03 0.35 0.08 0.15 0.02 0.00 0.00 177.57 178.14 1bw9 h PHE 158 N 1.12 0.26 -0.41 1.57 3.57 -0.04 0.35 116.94 123.35 1bw9 h PHE 158 Ca 0.25 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1bw9 h PHE 158 Cb 0.28 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1bw9 h PHE 158 CO 0.02 0.31 -0.02 0.93 -2.23 0.00 0.00 178.31 177.33 1bw9 h GLU 159 N 0.14 0.67 -0.36 1.11 4.39 -0.47 -0.11 114.58 119.95 1bw9 h GLU 159 Ca 0.06 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1bw9 h GLU 159 Cb 0.15 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1bw9 h GLU 159 CO -0.01 0.70 0.21 0.00 -1.16 0.00 0.00 179.01 178.76 1bw9 h ALA 160 N 1.35 0.46 -0.26 3.43 0.00 0.39 -1.66 119.26 122.98 1bw9 h ALA 160 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1bw9 h ALA 160 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1bw9 h ALA 160 CO 0.02 -0.03 0.13 1.98 0.00 0.00 0.00 179.25 181.35 1bw9 h MET 161 N 0.47 0.27 -0.44 0.00 1.85 0.21 0.43 114.93 117.73 1bw9 h MET 161 Ca 0.13 -0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.23 1bw9 h MET 161 Cb 0.02 -0.06 -0.03 0.00 0.43 0.00 0.00 31.60 31.96 1bw9 h MET 161 CO -0.02 0.18 0.24 0.87 -0.40 0.00 0.00 176.91 177.78 1bw9 h LYS 162 N 0.28 0.47 -0.49 0.39 1.57 -0.86 0.52 116.57 118.45 1bw9 h LYS 162 Ca 0.11 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1bw9 h LYS 162 Cb 0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1bw9 h LYS 162 CO -0.07 0.31 0.21 0.00 -0.57 0.00 0.00 179.45 179.33 1bw9 h ALA 163 N 1.21 0.63 -0.55 3.86 0.00 -0.96 -1.51 119.26 121.94 1bw9 h ALA 163 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1bw9 h ALA 163 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bw9 h ALA 163 CO -0.10 0.22 -0.03 1.15 0.00 0.00 0.00 179.25 180.49 1bw9 h THR 164 N 0.64 1.27 -0.59 0.00 2.02 -0.42 0.53 112.91 116.36 1bw9 h THR 164 Ca 0.16 -1.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1bw9 h THR 164 Cb 0.16 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1bw9 h THR 164 CO -0.02 0.41 0.22 0.58 0.37 0.00 0.00 175.52 177.09 1bw9 h VAL 165 N 0.86 1.23 -0.28 3.16 2.07 -0.83 -0.10 116.25 122.36 1bw9 h VAL 165 Ca 0.15 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1bw9 h VAL 165 Cb 0.57 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1bw9 h VAL 165 CO 0.03 0.28 0.05 0.00 0.02 0.00 0.00 177.57 177.96 1bw9 h ALA 166 N 1.07 0.38 -0.17 1.67 0.00 -1.14 -0.90 119.26 120.17 1bw9 h ALA 166 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1bw9 h ALA 166 Cb 0.23 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bw9 h ALA 166 CO -0.01 0.06 -0.04 1.25 0.00 0.00 0.00 179.25 180.51 1bw9 h HIS 167 N 0.29 0.26 0.00 0.00 6.17 -0.64 -1.26 115.15 119.96 1bw9 h HIS 167 Ca 0.09 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1bw9 h HIS 167 Cb 0.33 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1bw9 h HIS 167 CO 0.02 0.31 0.00 -2.13 0.71 0.00 0.00 177.93 176.84 1bw9 n ARG 168 N -4.35 0.35 -1.12 5.26 3.00 -0.07 -4.88 116.66 114.86 1bw9 n ARG 168 Ca -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1bw9 n ARG 168 Cb 0.21 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.17 1bw9 n ARG 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bw9 n GLY 169 N 0.68 0.44 0.45 5.14 0.00 -0.48 -4.94 105.19 106.48 1bw9 n GLY 169 Ca 0.11 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.28 1bw9 n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw9 n LEU 170 N 0.00 1.67 0.00 0.99 4.77 -0.37 -5.04 117.00 119.02 1bw9 n LEU 170 Ca 0.00 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1bw9 n LEU 170 Cb 0.09 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1bw9 n LEU 170 CO 0.00 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1bw9 n GLY 171 N 1.34 0.36 3.99 -0.72 0.00 -1.25 -4.88 105.19 104.03 1bw9 n GLY 171 Ca 0.13 -0.92 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 1bw9 n GLY 171 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bw9 s SER 172 N -4.00 5.59 0.51 1.61 1.04 -1.26 -3.50 113.70 113.70 1bw9 s SER 172 Ca 0.00 -0.15 0.16 0.00 0.48 0.00 0.00 55.95 56.44 1bw9 s SER 172 Cb 0.00 -0.93 1.25 0.00 0.10 0.00 0.00 66.02 66.44 1bw9 s SER 172 CO 0.00 -0.84 2.14 -0.07 0.98 0.00 0.00 173.24 175.45 1bw9 h LEU 173 N 0.44 0.03 -9.10 2.42 3.38 -1.90 -3.42 115.31 107.16 1bw9 h LEU 173 Ca -0.42 -0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.87 1bw9 h LEU 173 Cb 1.28 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1bw9 h LEU 173 CO 0.50 0.02 1.07 -0.67 0.09 0.00 0.00 178.44 179.46 1bw9 n ASP 174 N -4.53 2.79 0.00 -0.43 2.03 -1.04 0.00 116.55 115.37 1bw9 n ASP 174 Ca -0.02 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.21 1bw9 n ASP 174 Cb 0.11 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 1bw9 n ASP 174 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bw9 n GLY 175 N 4.69 2.23 3.84 0.27 0.00 -0.30 -4.91 105.19 111.00 1bw9 n GLY 175 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 1bw9 n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bw9 s LEU 176 N 0.00 3.63 -0.21 0.99 1.43 0.10 -4.72 118.68 119.90 1bw9 s LEU 176 Ca 0.00 1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 54.57 1bw9 s LEU 176 Cb 0.00 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 1bw9 s LEU 176 CO 0.00 -0.63 0.27 -0.89 0.23 0.00 0.00 176.35 175.33 1bw9 s THR 177 N -2.58 5.29 -0.12 5.49 2.01 -1.26 -0.77 115.64 123.70 1bw9 s THR 177 Ca 0.60 0.44 0.03 0.00 0.31 0.00 0.00 61.69 63.07 1bw9 s THR 177 Cb -0.10 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1bw9 s THR 177 CO 0.31 0.32 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.64 1bw9 s VAL 178 N 1.00 2.06 -0.42 3.82 1.01 -0.42 -1.22 120.40 126.23 1bw9 s VAL 178 Ca 0.13 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 1bw9 s VAL 178 Cb -0.14 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.47 1bw9 s VAL 178 CO 0.05 0.55 0.31 -0.22 0.00 0.00 0.00 175.10 175.79 1bw9 s LEU 179 N 0.61 5.15 -0.40 3.92 2.96 0.93 -1.03 118.68 130.82 1bw9 s LEU 179 Ca -0.12 -0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 52.68 1bw9 s LEU 179 Cb -0.17 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.38 1bw9 s LEU 179 CO 0.03 -0.47 0.31 -0.69 -1.32 0.00 0.00 176.35 174.21 1bw9 s VAL 180 N 1.67 5.24 -0.45 1.68 1.01 0.02 -0.44 120.40 129.11 1bw9 s VAL 180 Ca 0.05 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 1bw9 s VAL 180 Cb -0.20 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1bw9 s VAL 180 CO 0.09 -0.26 0.53 -1.58 0.00 0.00 0.00 175.10 173.87 1bw9 s GLN 181 N 1.77 3.13 0.00 2.72 0.74 -0.66 -1.99 119.66 125.37 1bw9 s GLN 181 Ca 0.06 -0.78 0.00 0.00 0.05 0.00 0.00 55.36 54.70 1bw9 s GLN 181 Cb -0.18 -4.02 0.00 0.00 1.10 0.00 0.00 33.01 29.91 1bw9 s GLN 181 CO 0.11 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.25 1bw9 n GLY 182 N 5.12 0.81 2.58 2.59 0.00 -0.08 0.95 105.19 117.16 1bw9 n GLY 182 Ca -0.06 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1bw9 n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bw9 n LEU 183 N 0.00 7.03 0.00 0.99 4.77 -1.26 -4.01 117.00 124.52 1bw9 n LEU 183 Ca 0.00 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.29 1bw9 n LEU 183 Cb 0.00 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1bw9 n LEU 183 CO 0.00 1.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.42 1bw9 n GLY 184 N -0.68 0.66 0.19 -0.72 0.00 -1.26 -4.08 105.19 99.30 1bw9 n GLY 184 Ca 0.54 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 1bw9 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 h ALA 185 N -1.79 0.55 0.00 4.61 0.00 -1.94 0.25 119.26 120.95 1bw9 h ALA 185 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1bw9 h ALA 185 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bw9 h ALA 185 CO 0.00 -0.23 -0.27 0.28 0.00 0.00 0.00 179.25 179.03 1bw9 h VAL 186 N 0.33 1.35 -0.83 0.00 2.07 -1.92 -3.29 116.25 113.96 1bw9 h VAL 186 Ca 0.22 -2.11 0.13 0.00 0.82 0.00 0.00 66.70 65.76 1bw9 h VAL 186 Cb 0.23 2.66 -0.09 0.00 -1.52 0.00 0.00 31.29 32.57 1bw9 h VAL 186 CO -0.23 0.46 0.43 1.23 0.02 0.00 0.00 177.57 179.48 1bw9 h GLY 187 N -1.00 1.32 0.93 2.17 0.00 -1.68 -0.07 103.07 104.74 1bw9 h GLY 187 Ca -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.01 1bw9 h GLY 187 CO -0.04 0.01 0.15 -1.33 0.00 0.00 0.00 176.54 175.33 1bw9 h GLY 188 N 0.66 0.36 1.17 4.60 0.00 -0.64 -0.05 103.07 109.17 1bw9 h GLY 188 Ca 0.44 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.54 1bw9 h GLY 188 CO -0.33 0.10 -0.14 1.76 0.00 0.00 0.00 176.54 177.94 1bw9 h SER 189 N 0.31 0.97 -0.76 0.19 0.02 -1.45 -2.14 113.55 110.68 1bw9 h SER 189 Ca 0.10 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1bw9 h SER 189 Cb 0.00 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1bw9 h SER 189 CO -0.05 1.10 0.47 0.25 -1.14 0.00 0.00 176.83 177.46 1bw9 h LEU 190 N 0.86 0.77 -0.43 5.07 5.85 -0.77 0.73 115.31 127.39 1bw9 h LEU 190 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1bw9 h LEU 190 Cb 0.69 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1bw9 h LEU 190 CO 0.05 0.52 0.26 0.00 -0.34 0.00 0.00 178.44 178.93 1bw9 h ALA 191 N 1.33 0.55 -0.19 1.25 0.00 -0.76 -0.05 119.26 121.38 1bw9 h ALA 191 Ca 0.31 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1bw9 h ALA 191 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1bw9 h ALA 191 CO -0.13 0.04 0.00 0.77 0.00 0.00 0.00 179.25 179.94 1bw9 h SER 192 N 0.57 -0.06 -0.22 0.00 0.02 -0.70 -0.13 113.55 113.03 1bw9 h SER 192 Ca 0.15 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1bw9 h SER 192 Cb -0.00 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1bw9 h SER 192 CO -0.03 -0.01 0.09 -0.07 -1.14 0.00 0.00 176.83 175.67 1bw9 h LEU 193 N 0.07 0.12 -0.50 5.07 3.38 -0.37 -1.18 115.31 121.89 1bw9 h LEU 193 Ca 0.09 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1bw9 h LEU 193 Cb 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1bw9 h LEU 193 CO -0.15 0.10 0.06 0.00 0.09 0.00 0.00 178.44 178.53 1bw9 h ALA 194 N 1.12 0.67 -0.52 1.53 0.00 -0.87 -1.84 119.26 119.35 1bw9 h ALA 194 Ca 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1bw9 h ALA 194 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1bw9 h ALA 194 CO -0.08 0.42 0.19 0.00 0.00 0.00 0.00 179.25 179.78 1bw9 h ALA 195 N 0.96 1.37 -0.11 0.00 0.00 -0.89 -0.25 119.26 120.34 1bw9 h ALA 195 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1bw9 h ALA 195 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1bw9 h ALA 195 CO 0.01 0.47 -0.43 1.49 0.00 0.00 0.00 179.25 180.80 1bw9 h GLU 196 N 0.74 0.25 -0.00 0.00 4.81 -0.98 -2.14 114.58 117.26 1bw9 h GLU 196 Ca 0.18 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1bw9 h GLU 196 Cb 0.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1bw9 h GLU 196 CO -0.01 0.63 0.00 0.00 -0.73 0.00 0.00 179.01 178.90 1bw9 n ALA 197 N -2.47 2.60 -0.29 2.92 0.00 -0.67 -4.88 120.51 117.72 1bw9 n ALA 197 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1bw9 n ALA 197 Cb 0.49 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1bw9 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bw9 n GLY 198 N 0.76 0.72 3.79 0.00 0.00 -0.81 -2.51 105.19 107.15 1bw9 n GLY 198 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1bw9 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 s ALA 199 N -2.37 2.67 -0.21 4.61 0.00 -0.19 -1.15 121.76 125.12 1bw9 s ALA 199 Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.28 1bw9 s ALA 199 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1bw9 s ALA 199 CO 0.00 -0.92 0.27 -0.65 0.00 0.00 0.00 175.76 174.47 1bw9 s GLN 200 N -4.03 4.15 -0.15 0.00 -1.52 0.05 -4.38 119.66 113.77 1bw9 s GLN 200 Ca 0.65 -0.02 -0.07 0.00 -1.95 0.00 0.00 55.36 53.97 1bw9 s GLN 200 Cb -0.17 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 29.06 1bw9 s GLN 200 CO 0.37 0.06 0.09 -0.51 -0.25 0.00 0.00 175.29 175.05 1bw9 s LEU 201 N 1.03 4.01 -0.11 2.90 1.43 -1.26 -1.31 118.68 125.37 1bw9 s LEU 201 Ca 0.13 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1bw9 s LEU 201 Cb -0.14 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1bw9 s LEU 201 CO 0.05 0.27 0.02 -0.76 0.23 0.00 0.00 176.35 176.17 1bw9 s LEU 202 N -0.22 3.67 0.07 1.79 1.43 -0.20 -0.63 118.68 124.59 1bw9 s LEU 202 Ca 0.09 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1bw9 s LEU 202 Cb -0.12 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1bw9 s LEU 202 CO 0.01 0.33 -0.07 0.68 0.23 0.00 0.00 176.35 177.53 1bw9 s VAL 203 N -0.61 0.61 -0.06 -1.59 -7.23 0.16 -0.80 120.40 110.89 1bw9 s VAL 203 Ca 0.10 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 1bw9 s VAL 203 Cb -0.12 -1.13 0.02 0.00 0.56 0.00 0.00 36.38 35.71 1bw9 s VAL 203 CO 0.02 -0.63 0.24 0.00 -0.31 0.00 0.00 175.10 174.43 1bw9 s ALA 204 N -2.49 -0.59 -0.07 1.32 0.00 -0.84 0.11 121.76 119.20 1bw9 s ALA 204 Ca 0.01 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1bw9 s ALA 204 Cb -0.02 -0.19 0.09 0.00 0.00 0.00 0.00 23.12 22.99 1bw9 s ALA 204 CO -0.02 -0.17 0.80 0.34 0.00 0.00 0.00 175.76 176.71 1bw9 s ASP 205 N -0.52 -0.53 0.40 0.00 -1.08 -1.26 -0.91 116.67 112.77 1bw9 s ASP 205 Ca -0.06 0.51 0.26 0.00 -0.52 0.00 0.00 52.55 52.73 1bw9 s ASP 205 Cb -0.04 0.45 0.67 0.00 -1.46 0.00 0.00 42.92 42.54 1bw9 s ASP 205 CO 0.01 -0.55 1.72 0.71 0.52 0.00 0.00 175.17 177.59 1bw9 h THR 206 N 2.71 0.00 -3.58 1.71 1.35 -2.01 -3.41 112.91 109.68 1bw9 h THR 206 Ca -0.24 -0.75 -0.58 0.00 -0.55 0.00 0.00 66.41 64.29 1bw9 h THR 206 Cb 1.17 1.73 -0.09 0.00 -1.73 0.00 0.00 68.15 69.23 1bw9 h THR 206 CO 0.36 0.00 0.77 -0.62 -0.25 0.00 0.00 175.52 175.78 1bw9 s ASP 207 N -5.61 6.53 0.38 5.36 -1.08 -1.26 -4.91 116.67 116.08 1bw9 s ASP 207 Ca 0.07 0.20 0.08 0.00 -0.52 0.00 0.00 52.55 52.38 1bw9 s ASP 207 Cb 0.08 -2.50 0.76 0.00 -1.46 0.00 0.00 42.92 39.79 1bw9 s ASP 207 CO 0.61 -1.21 1.92 0.71 0.52 0.00 0.00 175.17 177.73 1bw9 h THR 208 N 6.15 1.17 -0.26 1.71 1.35 -2.01 -2.33 112.91 118.69 1bw9 h THR 208 Ca -0.24 -0.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1bw9 h THR 208 Cb 1.07 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1bw9 h THR 208 CO 1.09 0.23 0.16 -0.08 -0.25 0.00 0.00 175.52 176.67 1bw9 h GLU 209 N 0.32 0.35 -0.56 4.72 4.81 -1.96 -1.73 114.58 120.52 1bw9 h GLU 209 Ca 0.07 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1bw9 h GLU 209 Cb 0.32 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 1bw9 h GLU 209 CO 0.01 0.27 0.21 0.00 -0.73 0.00 0.00 179.01 178.77 1bw9 h ARG 210 N 0.33 0.39 -0.48 1.92 3.08 -1.83 -0.27 114.38 117.52 1bw9 h ARG 210 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1bw9 h ARG 210 Cb 0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1bw9 h ARG 210 CO -0.02 0.25 0.23 0.28 -1.07 0.00 0.00 179.97 179.65 1bw9 h VAL 211 N 0.40 1.19 -0.69 2.04 2.07 -1.22 -1.84 116.25 118.19 1bw9 h VAL 211 Ca 0.28 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1bw9 h VAL 211 Cb 0.32 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1bw9 h VAL 211 CO -0.27 0.21 0.45 0.00 0.02 0.00 0.00 177.57 177.98 1bw9 h ALA 212 N 1.07 0.89 -0.11 1.67 0.00 -0.57 0.20 119.26 122.41 1bw9 h ALA 212 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1bw9 h ALA 212 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1bw9 h ALA 212 CO -0.02 0.28 -0.02 1.25 0.00 0.00 0.00 179.25 180.75 1bw9 h HIS 213 N 0.92 -0.03 -0.71 0.00 6.17 -0.83 0.31 115.15 120.97 1bw9 h HIS 213 Ca 0.26 0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.39 1bw9 h HIS 213 Cb -0.08 0.03 -0.05 0.00 2.52 0.00 0.00 27.41 29.83 1bw9 h HIS 213 CO -0.03 -0.03 0.43 0.00 0.71 0.00 0.00 177.93 179.01 1bw9 h ALA 214 N 1.10 0.94 -0.64 5.26 0.00 -0.65 -1.07 119.26 124.20 1bw9 h ALA 214 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bw9 h ALA 214 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1bw9 h ALA 214 CO -0.10 0.17 0.40 0.28 0.00 0.00 0.00 179.25 180.00 1bw9 h VAL 215 N 0.81 1.18 -0.54 0.00 2.07 -0.04 0.81 116.25 120.54 1bw9 h VAL 215 Ca 0.30 -0.37 0.15 0.00 0.82 0.00 0.00 66.70 67.60 1bw9 h VAL 215 Cb 0.09 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1bw9 h VAL 215 CO -0.14 0.18 0.38 0.00 0.02 0.00 0.00 177.57 178.02 1bw9 h ALA 216 N 1.21 2.47 -0.13 1.67 0.00 0.62 0.60 119.26 125.70 1bw9 h ALA 216 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1bw9 h ALA 216 Cb -0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1bw9 h ALA 216 CO -0.05 -0.62 0.00 1.28 0.00 0.00 0.00 179.25 179.86 1bw9 n LEU 217 N -4.39 1.24 0.00 0.00 4.77 0.14 -4.88 117.00 113.88 1bw9 n LEU 217 Ca 0.10 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1bw9 n LEU 217 Cb 0.59 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1bw9 n LEU 217 CO 0.37 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1bw9 n GLY 218 N 1.03 0.58 3.90 -0.72 0.00 0.21 -5.07 105.19 105.12 1bw9 n GLY 218 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1bw9 n GLY 218 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bw9 s HIS 219 N -2.16 3.40 -0.24 1.61 3.76 -0.37 -4.87 115.29 116.42 1bw9 s HIS 219 Ca 0.00 0.83 -0.08 0.00 -0.15 0.00 0.00 55.06 55.66 1bw9 s HIS 219 Cb 0.00 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 1bw9 s HIS 219 CO 0.00 -0.70 0.08 0.99 -0.85 0.00 0.00 174.74 174.26 1bw9 s THR 220 N -2.99 4.49 0.44 1.30 2.01 0.20 -4.07 115.64 117.02 1bw9 s THR 220 Ca 0.53 -0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.20 1bw9 s THR 220 Cb -0.11 -3.08 -0.10 0.00 0.01 0.00 0.00 72.50 69.22 1bw9 s THR 220 CO 0.47 0.36 0.99 0.00 -0.69 0.00 0.00 174.62 175.75 1bw9 s ALA 221 N 1.35 2.99 -0.06 7.40 0.00 -1.26 0.40 121.76 132.58 1bw9 s ALA 221 Ca 0.05 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1bw9 s ALA 221 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1bw9 s ALA 221 CO 0.04 -0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.65 1bw9 s VAL 222 N -2.03 1.36 0.37 0.00 1.01 0.12 -4.78 120.40 116.44 1bw9 s VAL 222 Ca 0.63 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 1bw9 s VAL 222 Cb -0.14 -1.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 1bw9 s VAL 222 CO 0.17 0.40 1.15 0.00 0.00 0.00 0.00 175.10 176.82 1bw9 s ALA 223 N 0.32 3.22 0.28 5.51 0.00 -1.26 -4.54 121.76 125.29 1bw9 s ALA 223 Ca -0.10 0.93 -0.00 0.00 0.00 0.00 0.00 51.96 52.79 1bw9 s ALA 223 Cb -0.14 -3.36 0.63 0.00 0.00 0.00 0.00 23.12 20.26 1bw9 s ALA 223 CO 0.04 -0.41 1.64 -0.07 0.00 0.00 0.00 175.76 176.96 1bw9 h LEU 224 N 2.92 -0.09 -1.76 0.00 3.38 -1.96 0.18 115.31 117.98 1bw9 h LEU 224 Ca -0.48 0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1bw9 h LEU 224 Cb 1.23 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1bw9 h LEU 224 CO 0.64 -0.16 0.21 1.05 0.09 0.00 0.00 178.44 180.26 1bw9 h GLU 225 N 0.18 0.31 0.00 1.13 9.09 -2.03 -2.77 114.58 120.49 1bw9 h GLU 225 Ca 0.51 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.91 1bw9 h GLU 225 Cb 1.00 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.03 1bw9 h GLU 225 CO -0.66 0.20 -0.60 -0.25 0.05 0.00 0.00 179.01 177.76 1bw9 n ASP 226 N -4.49 0.61 -0.24 3.06 8.00 0.58 -4.57 116.55 119.51 1bw9 n ASP 226 Ca 0.02 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.52 1bw9 n ASP 226 Cb 0.15 0.21 0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1bw9 n ASP 226 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bw9 h VAL 227 N 0.00 0.27 -0.00 2.53 2.07 -1.13 -1.01 116.25 118.98 1bw9 h VAL 227 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1bw9 h VAL 227 Cb 0.67 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1bw9 h VAL 227 CO 0.00 0.00 -0.01 0.18 0.02 0.00 0.00 177.57 177.76 1bw9 n LEU 228 N -5.47 0.21 -0.31 2.57 4.77 -1.26 -3.14 117.00 114.38 1bw9 n LEU 228 Ca 0.08 -0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1bw9 n LEU 228 Cb 0.36 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1bw9 n LEU 228 CO 0.01 0.04 0.42 -1.20 -1.33 0.00 0.00 177.39 175.32 1bw9 n SER 229 N -0.90 1.84 -4.64 -1.43 7.64 -0.46 -4.60 113.62 111.07 1bw9 n SER 229 Ca 0.21 -1.48 -0.42 0.00 1.01 0.00 0.00 58.87 58.20 1bw9 n SER 229 Cb 0.17 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1bw9 n SER 229 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bw9 s THR 230 N -0.69 4.82 0.35 0.44 2.01 -0.75 -4.92 115.64 116.91 1bw9 s THR 230 Ca 0.10 1.53 -0.28 0.00 0.31 0.00 0.00 61.69 63.34 1bw9 s THR 230 Cb 0.06 -4.13 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 1bw9 s THR 230 CO 0.09 -0.11 1.40 -2.84 -0.69 0.00 0.00 174.62 172.47 1bw9 s PRO 231 N 2.88 4.23 0.15 4.92 0.02 -1.26 -4.70 135.00 141.23 1bw9 s PRO 231 Ca 0.35 2.40 -0.25 0.00 0.02 0.00 0.00 61.00 63.52 1bw9 s PRO 231 Cb -0.15 -3.02 0.06 0.00 0.02 0.00 0.00 34.50 31.41 1bw9 s PRO 231 CO 0.08 -0.37 0.84 0.00 -0.33 0.00 0.00 177.00 177.22 1bw9 h ASP 233 N 2.00 0.00 -3.95 0.00 3.32 -1.45 -3.30 116.42 113.04 1bw9 h ASP 233 Ca -0.24 -0.78 -0.69 0.00 0.02 0.00 0.00 57.03 55.34 1bw9 h ASP 233 Cb 1.25 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.50 1bw9 h ASP 233 CO 0.28 1.07 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.32 1bw9 s VAL 234 N -2.21 2.24 -0.25 -1.35 1.01 -0.48 -0.40 120.40 118.96 1bw9 s VAL 234 Ca -0.20 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 1bw9 s VAL 234 Cb -0.01 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1bw9 s VAL 234 CO 0.60 0.57 0.04 0.12 0.00 0.00 0.00 175.10 176.43 1bw9 s PHE 235 N -0.18 3.07 -0.61 5.22 5.36 -0.18 -0.05 117.98 130.61 1bw9 s PHE 235 Ca -0.03 -0.74 0.01 0.00 -0.96 0.00 0.00 56.93 55.21 1bw9 s PHE 235 Cb -0.14 -2.20 0.15 0.00 -0.34 0.00 0.00 43.02 40.49 1bw9 s PHE 235 CO 0.04 -0.48 0.39 0.00 -1.46 0.00 0.00 175.22 173.71 1bw9 s ALA 236 N 1.54 3.54 -0.29 11.12 0.00 0.42 -0.62 121.76 137.46 1bw9 s ALA 236 Ca 0.05 -3.38 -0.29 0.00 0.00 0.00 0.00 51.96 48.34 1bw9 s ALA 236 Cb -0.15 -2.41 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 1bw9 s ALA 236 CO 0.01 -2.08 1.40 -1.25 0.00 0.00 0.00 175.76 173.84 1bw9 s PRO 237 N -0.41 3.84 -0.09 0.00 0.04 -1.26 -1.65 135.00 135.47 1bw9 s PRO 237 Ca 0.19 1.32 0.13 0.00 0.04 0.00 0.00 61.00 62.67 1bw9 s PRO 237 Cb -0.20 -3.94 0.26 0.00 0.04 0.00 0.00 34.50 30.66 1bw9 s PRO 237 CO -0.04 -1.22 1.13 0.00 0.04 0.00 0.00 177.00 176.91 1bw9 n ALA 239 N -0.70 0.00 -1.51 0.00 0.00 -0.97 -4.61 120.51 112.72 1bw9 n ALA 239 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 1bw9 n ALA 239 Cb 0.74 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.26 1bw9 n ALA 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw9 s MET 240 N 3.20 2.48 0.79 0.00 0.00 -1.26 -4.59 119.30 119.92 1bw9 s MET 240 Ca 0.00 0.86 -0.07 0.00 0.00 0.00 0.00 55.69 56.48 1bw9 s MET 240 Cb 0.00 -1.95 0.17 0.00 0.00 0.00 0.00 34.83 33.05 1bw9 s MET 240 CO 0.00 -1.40 1.07 0.41 0.00 0.00 0.00 175.02 175.11 1bw9 n GLY 241 N -1.89 -0.32 2.45 3.16 0.00 -1.24 -4.52 105.19 102.83 1bw9 n GLY 241 Ca 0.07 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.02 1bw9 n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bw9 n GLY 242 N -2.60 0.59 0.22 -0.02 0.00 0.18 -4.88 105.19 98.69 1bw9 n GLY 242 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1bw9 n GLY 242 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1bw9 h VAL 243 N 0.00 1.31 -2.83 1.61 -1.51 -1.60 -3.39 116.25 109.84 1bw9 h VAL 243 Ca -0.44 -1.78 -0.73 0.00 -1.23 0.00 0.00 66.70 62.52 1bw9 h VAL 243 Cb 1.32 1.74 -0.20 0.00 -2.13 0.00 0.00 31.29 32.01 1bw9 h VAL 243 CO 0.57 0.56 0.67 -0.63 -1.23 0.00 0.00 177.57 177.51 1bw9 s ILE 244 N -4.02 5.08 0.82 7.19 1.01 -0.58 -4.87 121.20 125.82 1bw9 s ILE 244 Ca -0.08 -2.05 -0.11 0.00 0.00 0.00 0.00 60.65 58.42 1bw9 s ILE 244 Cb 0.11 -4.70 0.11 0.00 0.01 0.00 0.00 42.46 38.00 1bw9 s ILE 244 CO 0.85 -1.37 1.16 0.42 0.00 0.00 0.00 174.94 175.99 1bw9 s THR 245 N 1.64 2.09 0.20 2.92 -4.23 -1.26 -1.08 115.64 115.92 1bw9 s THR 245 Ca 0.30 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1bw9 s THR 245 Cb -0.06 -2.96 0.12 0.00 1.34 0.00 0.00 72.50 70.94 1bw9 s THR 245 CO -0.08 0.00 1.73 0.74 -0.54 0.00 0.00 174.62 176.47 1bw9 h THR 246 N -1.05 0.76 -0.45 3.99 2.02 -1.93 0.19 112.91 116.45 1bw9 h THR 246 Ca -0.44 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1bw9 h THR 246 Cb 1.29 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1bw9 h THR 246 CO 0.53 0.06 0.20 -0.33 0.37 0.00 0.00 175.52 176.36 1bw9 h GLU 247 N 0.33 0.65 -0.42 6.66 3.07 -1.99 -2.51 114.58 120.37 1bw9 h GLU 247 Ca 0.28 -0.10 -0.11 0.00 -0.50 0.00 0.00 59.36 58.92 1bw9 h GLU 247 Cb 0.35 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1bw9 h GLU 247 CO -0.31 0.57 -0.17 0.28 -1.40 0.00 0.00 179.01 177.98 1bw9 h VAL 248 N 0.58 1.27 -0.20 3.13 2.07 -1.78 -2.83 116.25 118.48 1bw9 h VAL 248 Ca 0.15 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.41 1bw9 h VAL 248 Cb 0.14 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1bw9 h VAL 248 CO -0.02 0.43 0.14 0.00 0.02 0.00 0.00 177.57 178.14 1bw9 h ALA 249 N 1.09 1.89 -0.19 1.67 0.00 -0.23 0.10 119.26 123.60 1bw9 h ALA 249 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1bw9 h ALA 249 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1bw9 h ALA 249 CO 0.05 0.09 -0.35 0.00 0.00 0.00 0.00 179.25 179.04 1bw9 h ARG 250 N 0.24 0.40 -0.00 0.00 3.08 -1.21 -3.32 114.38 113.57 1bw9 h ARG 250 Ca 0.08 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1bw9 h ARG 250 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1bw9 h ARG 250 CO -0.02 0.70 -0.47 0.25 -1.07 0.00 0.00 179.97 179.36 1bw9 n THR 251 N -4.07 0.00 -1.66 2.04 -2.24 -0.95 -5.01 114.28 102.39 1bw9 n THR 251 Ca -0.01 -0.27 -0.47 0.00 -2.27 0.00 0.00 64.05 61.03 1bw9 n THR 251 Cb 0.46 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 1bw9 n THR 251 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bw9 n LEU 252 N -0.99 2.90 -3.93 3.22 7.94 0.31 -4.91 117.00 121.55 1bw9 n LEU 252 Ca 0.03 1.08 -0.38 0.00 -1.11 0.00 0.00 56.01 55.63 1bw9 n LEU 252 Cb 0.20 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 42.74 1bw9 n LEU 252 CO 0.21 -0.38 0.69 -0.67 -1.11 0.00 0.00 177.39 176.13 1bw9 n ASP 253 N 3.56 5.26 -3.80 1.96 2.03 -1.26 -5.00 116.55 119.29 1bw9 n ASP 253 Ca 0.18 -3.32 -0.09 0.00 0.52 0.00 0.00 54.79 52.07 1bw9 n ASP 253 Cb 0.27 -1.10 -0.04 0.00 -0.72 0.00 0.00 41.12 39.53 1bw9 n ASP 253 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw9 n SER 255 N -0.60 0.59 -4.00 0.00 7.64 0.47 -4.77 113.62 112.94 1bw9 n SER 255 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 1bw9 n SER 255 Cb 0.61 1.20 -0.13 0.00 -1.01 0.00 0.00 64.21 64.88 1bw9 n SER 255 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bw9 s VAL 256 N -2.68 0.41 -0.17 0.44 1.01 -0.39 -1.10 120.40 117.92 1bw9 s VAL 256 Ca -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1bw9 s VAL 256 Cb 0.07 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 36.04 1bw9 s VAL 256 CO 0.75 -0.15 -0.20 -0.69 0.00 0.00 0.00 175.10 174.81 1bw9 s VAL 257 N -0.74 2.06 -0.28 2.92 1.01 -0.34 -1.01 120.40 124.01 1bw9 s VAL 257 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1bw9 s VAL 257 Cb -0.06 -1.85 0.18 0.00 0.00 0.00 0.00 36.38 34.65 1bw9 s VAL 257 CO 0.00 0.54 0.53 0.00 0.00 0.00 0.00 175.10 176.17 1bw9 s ALA 258 N 1.20 -1.91 0.07 5.51 0.00 0.21 -1.37 121.76 125.46 1bw9 s ALA 258 Ca 0.03 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1bw9 s ALA 258 Cb -0.13 -2.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.86 1bw9 s ALA 258 CO -0.11 -1.46 0.07 0.41 0.00 0.00 0.00 175.76 174.67 1bw9 n GLY 259 N 5.41 3.62 0.03 0.00 0.00 -1.26 -4.13 105.19 108.84 1bw9 n GLY 259 Ca -0.00 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.48 1bw9 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bw9 n ALA 260 N -2.54 2.76 -1.64 4.61 0.00 -0.31 -4.47 120.51 118.91 1bw9 n ALA 260 Ca -0.02 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 1bw9 n ALA 260 Cb 0.12 -0.80 0.03 0.00 0.00 0.00 0.00 19.45 18.80 1bw9 n ALA 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bw9 n ALA 261 N -2.25 0.51 -2.05 0.00 0.00 0.07 -4.82 120.51 111.97 1bw9 n ALA 261 Ca -0.04 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1bw9 n ALA 261 Cb 0.57 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 1bw9 n ALA 261 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bw9 s ASN 262 N -0.88 6.82 -1.30 0.00 0.01 -1.26 -4.24 114.94 114.09 1bw9 s ASN 262 Ca 0.68 1.40 -0.16 0.00 -0.71 0.00 0.00 52.86 54.06 1bw9 s ASN 262 Cb -0.49 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 38.77 1bw9 s ASN 262 CO 0.53 -0.24 0.53 0.59 -1.51 0.00 0.00 177.10 176.99 1bw9 n ASN 263 N -0.42 -2.61 -0.24 -1.22 3.02 -1.26 -3.61 115.26 108.92 1bw9 n ASN 263 Ca 0.04 -1.15 -0.01 0.00 -0.03 0.00 0.00 54.58 53.43 1bw9 n ASN 263 Cb 0.53 -2.46 0.10 0.00 -0.61 0.00 0.00 39.78 37.34 1bw9 n ASN 263 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1bw9 h VAL 264 N -2.10 0.96 -3.29 2.41 2.07 -1.92 0.52 116.25 114.91 1bw9 h VAL 264 Ca -0.67 -0.24 -0.58 0.00 0.82 0.00 0.00 66.70 66.03 1bw9 h VAL 264 Cb 1.39 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1bw9 h VAL 264 CO 0.57 0.13 0.43 -0.63 0.02 0.00 0.00 177.57 178.08 1bw9 s ILE 265 N -6.09 4.86 0.07 4.57 -1.09 -1.26 -1.53 121.20 120.73 1bw9 s ILE 265 Ca -0.13 1.64 -0.14 0.00 -2.23 0.00 0.00 60.65 59.80 1bw9 s ILE 265 Cb 0.16 -4.14 -0.25 0.00 -1.58 0.00 0.00 42.46 36.65 1bw9 s ILE 265 CO 0.76 -0.00 1.17 0.00 -1.23 0.00 0.00 174.94 175.64 1bw9 h ALA 266 N 7.40 0.10 -2.66 9.38 0.00 -1.34 -3.44 119.26 128.71 1bw9 h ALA 266 Ca -0.28 -0.72 -0.16 0.00 0.00 0.00 0.00 54.91 53.75 1bw9 h ALA 266 Cb 1.12 0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.80 1bw9 h ALA 266 CO 0.85 0.69 -0.69 0.16 0.00 0.00 0.00 179.25 180.26 1bw9 s ASP 267 N -7.32 0.45 0.26 0.00 1.47 -1.26 -5.04 116.67 105.23 1bw9 s ASP 267 Ca -0.10 -0.73 -0.03 0.00 1.18 0.00 0.00 52.55 52.88 1bw9 s ASP 267 Cb 0.07 0.13 0.41 0.00 -0.34 0.00 0.00 42.92 43.19 1bw9 s ASP 267 CO 0.92 -0.42 1.86 -0.08 0.68 0.00 0.00 175.17 178.14 1bw9 h GLU 268 N 3.94 1.06 -0.54 2.11 4.81 -1.96 -0.95 114.58 123.04 1bw9 h GLU 268 Ca -0.33 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 58.91 1bw9 h GLU 268 Cb 1.18 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1bw9 h GLU 268 CO 0.52 0.70 0.36 0.00 -0.73 0.00 0.00 179.01 179.87 1bw9 h ALA 269 N 1.46 1.96 -0.44 2.92 0.00 -1.99 0.08 119.26 123.25 1bw9 h ALA 269 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1bw9 h ALA 269 Cb 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1bw9 h ALA 269 CO -0.19 -0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.26 1bw9 h ALA 270 N 1.72 0.56 -0.20 0.00 0.00 -1.47 0.37 119.26 120.24 1bw9 h ALA 270 Ca 0.24 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1bw9 h ALA 270 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1bw9 h ALA 270 CO -0.06 -0.03 -0.01 1.03 0.00 0.00 0.00 179.25 180.18 1bw9 h SER 271 N 0.56 -0.09 -0.58 0.00 0.87 -0.94 -0.35 113.55 113.03 1bw9 h SER 271 Ca 0.17 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1bw9 h SER 271 Cb -0.03 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1bw9 h SER 271 CO -0.06 -0.02 0.34 0.44 -0.53 0.00 0.00 176.83 177.00 1bw9 h ASP 272 N 0.06 0.54 -0.25 6.23 3.32 -0.66 -2.28 116.42 123.37 1bw9 h ASP 272 Ca 0.09 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1bw9 h ASP 272 Cb 0.12 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1bw9 h ASP 272 CO -0.16 0.37 0.15 0.40 -1.72 0.00 0.00 179.24 178.28 1bw9 h ILE 273 N 0.66 1.11 -0.68 0.35 2.04 0.25 0.14 117.51 121.37 1bw9 h ILE 273 Ca 0.24 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1bw9 h ILE 273 Cb 0.06 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1bw9 h ILE 273 CO -0.12 0.10 0.43 -0.07 0.00 0.00 0.00 178.15 178.49 1bw9 h LEU 274 N 0.31 0.70 -0.22 1.44 3.38 -0.92 0.21 115.31 120.21 1bw9 h LEU 274 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1bw9 h LEU 274 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1bw9 h LEU 274 CO -0.02 0.49 0.11 -0.74 0.09 0.00 0.00 178.44 178.38 1bw9 h HIS 275 N 0.84 0.31 -0.45 1.13 2.76 -1.08 0.20 115.15 118.87 1bw9 h HIS 275 Ca 0.27 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1bw9 h HIS 275 Cb 0.01 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1bw9 h HIS 275 CO -0.04 0.30 0.07 0.00 -1.30 0.00 0.00 177.93 176.95 1bw9 h ALA 276 N 0.99 1.28 0.00 5.26 0.00 -0.16 -2.05 119.26 124.58 1bw9 h ALA 276 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bw9 h ALA 276 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bw9 h ALA 276 CO -0.01 0.49 0.00 0.54 0.00 0.00 0.00 179.25 180.27 1bw9 n ARG 277 N -4.28 0.71 -0.92 0.00 1.74 0.69 -4.90 116.66 109.70 1bw9 n ARG 277 Ca 0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1bw9 n ARG 277 Cb 0.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1bw9 n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bw9 n GLY 278 N 1.02 0.46 3.51 -0.13 0.00 -0.75 -5.00 105.19 104.31 1bw9 n GLY 278 Ca 0.19 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1bw9 n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bw9 s ILE 279 N -2.00 5.04 -0.28 -0.61 1.01 -0.02 -4.90 121.20 119.44 1bw9 s ILE 279 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.24 1bw9 s ILE 279 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1bw9 s ILE 279 CO 0.00 -0.38 1.22 -0.22 0.00 0.00 0.00 174.94 175.56 1bw9 s LEU 280 N 2.28 3.95 -0.16 2.97 2.96 -0.26 -4.20 118.68 126.22 1bw9 s LEU 280 Ca 0.15 1.24 -0.05 0.00 -0.22 0.00 0.00 54.13 55.24 1bw9 s LEU 280 Cb -0.16 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1bw9 s LEU 280 CO 0.14 -0.96 0.02 -0.47 -1.32 0.00 0.00 176.35 173.76 1bw9 s TYR 281 N 3.98 3.15 -0.46 5.38 5.04 -1.26 -1.19 117.35 131.99 1bw9 s TYR 281 Ca 0.52 -0.07 -0.20 0.00 -2.44 0.00 0.00 57.07 54.88 1bw9 s TYR 281 Cb -0.16 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 40.18 1bw9 s TYR 281 CO 0.19 0.10 0.65 0.00 -1.34 0.00 0.00 175.55 175.15 1bw9 s ALA 282 N 0.26 3.34 0.12 3.97 0.00 -0.47 -4.75 121.76 124.23 1bw9 s ALA 282 Ca 0.01 -1.33 -0.35 0.00 0.00 0.00 0.00 51.96 50.28 1bw9 s ALA 282 Cb -0.13 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 1bw9 s ALA 282 CO 0.01 -1.87 1.44 -2.30 0.00 0.00 0.00 175.76 173.05 1bw9 n PRO 283 N 6.30 1.57 -0.23 0.00 -0.02 -1.26 -4.68 135.00 136.68 1bw9 n PRO 283 Ca -0.03 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1bw9 n PRO 283 Cb 0.47 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.80 1bw9 n PRO 283 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1bw9 h ASP 284 N 5.11 -0.40 0.22 2.55 3.04 -1.90 0.14 116.42 125.18 1bw9 h ASP 284 Ca -0.46 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1bw9 h ASP 284 Cb 1.30 0.34 0.00 0.00 -1.04 0.00 0.00 39.33 39.93 1bw9 h ASP 284 CO 0.82 -0.17 0.00 2.19 -2.04 0.00 0.00 179.24 180.05 1bw9 h PHE 285 N 0.08 0.00 0.00 4.15 -5.15 -1.90 0.25 116.94 114.37 1bw9 h PHE 285 Ca 0.35 0.00 -0.36 0.00 -0.20 0.00 0.00 57.97 57.76 1bw9 h PHE 285 Cb 0.58 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.69 1bw9 h PHE 285 CO -0.43 0.00 -1.98 0.28 -2.00 0.00 0.00 178.31 174.18 1bw9 n VAL 286 N -2.70 1.53 -0.15 0.88 0.31 -0.03 -4.28 118.33 113.89 1bw9 n VAL 286 Ca -0.01 -0.23 -0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1bw9 n VAL 286 Cb 0.11 -1.96 0.25 0.00 -0.91 0.00 0.00 33.84 31.33 1bw9 n VAL 286 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bw9 h ALA 287 N -0.78 1.39 -0.63 3.52 0.00 -0.44 -2.84 119.26 119.48 1bw9 h ALA 287 Ca -0.55 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1bw9 h ALA 287 Cb 1.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bw9 h ALA 287 CO -0.33 0.48 0.00 0.27 0.00 0.00 0.00 179.25 179.67 1bw9 n ASN 288 N -4.37 3.88 0.00 0.00 0.23 0.04 -3.12 115.26 111.93 1bw9 n ASN 288 Ca 0.06 -2.17 0.04 0.00 -0.53 0.00 0.00 54.58 51.98 1bw9 n ASN 288 Cb 0.12 -0.49 0.19 0.00 -2.08 0.00 0.00 39.78 37.52 1bw9 n ASN 288 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bw9 n ALA 289 N 1.27 1.60 0.24 -2.53 0.00 -1.07 -3.25 120.51 116.76 1bw9 n ALA 289 Ca 0.23 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.70 1bw9 n ALA 289 Cb 0.67 -1.12 0.58 0.00 0.00 0.00 0.00 19.45 19.58 1bw9 n ALA 289 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bw9 h GLY 290 N 1.17 0.00 0.80 0.00 0.00 -1.79 -0.24 103.07 103.01 1bw9 h GLY 290 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bw9 h GLY 290 CO 0.00 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.20 1bw9 h GLY 291 N 0.34 -0.03 1.02 4.60 0.00 -1.77 -0.54 103.07 106.69 1bw9 h GLY 291 Ca -0.00 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1bw9 h GLY 291 CO 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 176.54 176.58 1bw9 h ALA 292 N 0.75 0.71 -0.99 3.60 0.00 -1.71 0.44 119.26 122.06 1bw9 h ALA 292 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1bw9 h ALA 292 Cb 0.22 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1bw9 h ALA 292 CO 0.00 0.49 0.65 0.82 0.00 0.00 0.00 179.25 181.22 1bw9 h ILE 293 N 0.79 1.18 0.42 0.00 2.04 -0.95 0.12 117.51 121.10 1bw9 h ILE 293 Ca 0.15 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1bw9 h ILE 293 Cb 0.48 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1bw9 h ILE 293 CO 0.02 0.23 -0.20 -0.74 0.00 0.00 0.00 178.15 177.46 1bw9 h HIS 294 N 1.26 -0.52 0.39 1.37 2.76 -0.67 0.31 115.15 120.04 1bw9 h HIS 294 Ca 0.39 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.53 1bw9 h HIS 294 Cb -0.01 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1bw9 h HIS 294 CO -0.00 -0.21 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.16 1bw9 h LEU 295 N -0.81 -0.44 -0.27 0.26 3.38 -0.66 0.46 115.31 117.23 1bw9 h LEU 295 Ca -0.06 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1bw9 h LEU 295 Cb 0.54 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1bw9 h LEU 295 CO 0.09 -0.25 -0.07 0.58 0.09 0.00 0.00 178.44 178.88 1bw9 h VAL 296 N -0.60 1.28 0.03 1.22 2.07 -0.87 0.18 116.25 119.56 1bw9 h VAL 296 Ca -0.05 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1bw9 h VAL 296 Cb 0.45 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1bw9 h VAL 296 CO 0.09 0.34 -0.18 1.23 0.02 0.00 0.00 177.57 179.07 1bw9 h GLY 297 N 0.28 -0.28 0.70 2.17 0.00 -0.39 0.31 103.07 105.87 1bw9 h GLY 297 Ca 0.07 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1bw9 h GLY 297 CO 0.03 -0.17 -0.25 3.21 0.00 0.00 0.00 176.54 179.36 1bw9 h ARG 298 N -0.32 -0.67 0.00 4.80 2.47 -0.91 -1.29 114.38 118.47 1bw9 h ARG 298 Ca 0.05 0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.71 1bw9 h ARG 298 Cb 0.37 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.83 1bw9 h ARG 298 CO -0.15 -0.37 -0.48 0.93 0.56 0.00 0.00 179.97 180.46 1bw9 h GLU 299 N -1.01 0.00 0.00 0.04 5.08 -1.00 -3.31 114.58 114.38 1bw9 h GLU 299 Ca -0.07 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 1bw9 h GLU 299 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1bw9 h GLU 299 CO 0.12 0.48 -1.63 0.28 -1.00 0.00 0.00 179.01 177.26 1bw9 n VAL 300 N -3.29 0.62 1.31 3.13 0.31 0.85 -4.74 118.33 116.52 1bw9 n VAL 300 Ca 0.01 -0.16 0.14 0.00 -0.01 0.00 0.00 64.34 64.33 1bw9 n VAL 300 Cb 0.69 -1.64 0.63 0.00 -0.91 0.00 0.00 33.84 32.61 1bw9 n VAL 300 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bw9 n LEU 301 N -3.49 0.24 -0.02 7.52 4.77 0.21 -4.92 117.00 121.32 1bw9 n LEU 301 Ca -0.22 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1bw9 n LEU 301 Cb 0.66 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1bw9 n LEU 301 CO 0.01 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1bw9 n GLY 302 N 1.34 0.44 3.79 -0.72 0.00 -0.64 -4.98 105.19 104.41 1bw9 n GLY 302 Ca 0.12 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1bw9 n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bw9 s TRP 303 N -1.88 3.00 0.80 1.61 0.51 -0.58 -5.00 118.94 117.40 1bw9 s TRP 303 Ca 0.00 1.58 -0.12 0.00 -2.12 0.00 0.00 56.10 55.45 1bw9 s TRP 303 Cb 0.00 -3.17 0.07 0.00 -0.81 0.00 0.00 33.47 29.57 1bw9 s TRP 303 CO 0.00 -1.00 1.12 -1.54 -0.51 0.00 0.00 176.95 175.02 1bw9 s SER 304 N -1.74 4.50 0.29 2.95 1.04 -1.26 -4.48 113.70 115.01 1bw9 s SER 304 Ca 0.65 1.12 0.01 0.00 0.48 0.00 0.00 55.95 58.21 1bw9 s SER 304 Cb -0.21 -1.80 0.45 0.00 0.10 0.00 0.00 66.02 64.56 1bw9 s SER 304 CO 0.25 -1.94 1.81 -0.33 0.98 0.00 0.00 173.24 174.01 1bw9 h GLU 305 N -1.07 0.67 -0.47 4.02 5.08 -1.99 -0.50 114.58 120.32 1bw9 h GLU 305 Ca -0.47 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 57.65 1bw9 h GLU 305 Cb 1.29 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1bw9 h GLU 305 CO 0.62 0.69 0.01 0.66 -1.00 0.00 0.00 179.01 179.99 1bw9 h SER 306 N 0.63 0.80 -0.63 1.42 4.64 -1.99 0.68 113.55 119.10 1bw9 h SER 306 Ca 0.13 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 1bw9 h SER 306 Cb 0.40 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1bw9 h SER 306 CO 0.02 0.90 0.18 0.58 -0.87 0.00 0.00 176.83 177.64 1bw9 h VAL 307 N 0.67 1.25 -0.48 0.95 2.07 -1.82 0.89 116.25 119.79 1bw9 h VAL 307 Ca 0.13 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1bw9 h VAL 307 Cb 0.49 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1bw9 h VAL 307 CO 0.02 0.33 0.31 0.58 0.02 0.00 0.00 177.57 178.83 1bw9 h VAL 308 N 0.91 1.10 -0.55 2.57 2.07 -0.85 0.13 116.25 121.64 1bw9 h VAL 308 Ca 0.20 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1bw9 h VAL 308 Cb 0.31 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1bw9 h VAL 308 CO -0.00 0.11 0.30 -0.74 0.02 0.00 0.00 177.57 177.25 1bw9 h HIS 309 N 0.62 0.54 -0.19 1.57 6.17 -0.32 -0.09 115.15 123.45 1bw9 h HIS 309 Ca 0.18 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.28 1bw9 h HIS 309 Cb -0.04 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 29.71 1bw9 h HIS 309 CO -0.05 0.27 0.12 0.93 0.71 0.00 0.00 177.93 179.91 1bw9 h GLU 310 N 0.57 0.24 -0.85 5.26 5.08 -0.13 -0.60 114.58 124.15 1bw9 h GLU 310 Ca 0.24 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1bw9 h GLU 310 Cb 0.12 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1bw9 h GLU 310 CO -0.15 0.16 0.56 0.00 -1.00 0.00 0.00 179.01 178.58 1bw9 h ARG 311 N 0.25 1.11 -0.50 2.33 2.47 0.04 0.09 114.38 120.17 1bw9 h ARG 311 Ca 0.07 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.61 1bw9 h ARG 311 Cb -0.02 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.03 1bw9 h ARG 311 CO -0.02 0.73 -0.14 0.00 0.56 0.00 0.00 179.97 181.10 1bw9 h ALA 312 N 1.48 0.69 -0.69 0.04 0.00 -0.81 -2.46 119.26 117.50 1bw9 h ALA 312 Ca 0.31 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bw9 h ALA 312 Cb -0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1bw9 h ALA 312 CO -0.07 0.62 0.42 0.28 0.00 0.00 0.00 179.25 180.50 1bw9 h VAL 313 N 0.83 1.19 0.00 0.00 2.07 -0.22 -2.10 116.25 118.03 1bw9 h VAL 313 Ca 0.12 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1bw9 h VAL 313 Cb 0.71 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1bw9 h VAL 313 CO 0.05 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.84 1bw9 n ALA 314 N -2.43 1.33 0.04 1.67 0.00 -0.06 -1.68 120.51 119.37 1bw9 n ALA 314 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1bw9 n ALA 314 Cb 0.06 -1.05 0.35 0.00 0.00 0.00 0.00 19.45 18.81 1bw9 n ALA 314 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1bw9 h ILE 315 N 0.00 1.17 -0.64 0.00 2.04 -1.38 -0.36 117.51 118.35 1bw9 h ILE 315 Ca 0.00 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1bw9 h ILE 315 Cb 0.03 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1bw9 h ILE 315 CO 0.00 0.23 0.37 1.23 0.00 0.00 0.00 178.15 179.98 1bw9 h GLY 316 N 0.75 0.94 0.99 5.37 0.00 -1.53 -0.73 103.07 108.87 1bw9 h GLY 316 Ca 0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1bw9 h GLY 316 CO 0.01 0.39 0.30 -1.80 0.00 0.00 0.00 176.54 175.43 1bw9 h ASP 317 N 0.87 0.80 -0.84 0.19 3.58 -1.56 0.92 116.42 120.38 1bw9 h ASP 317 Ca 0.23 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1bw9 h ASP 317 Cb 0.00 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.80 1bw9 h ASP 317 CO -0.04 0.70 0.54 0.74 -2.88 0.00 0.00 179.24 178.30 1bw9 h THR 318 N 0.83 1.14 -0.56 2.25 2.02 -0.53 -0.91 112.91 117.14 1bw9 h THR 318 Ca 0.21 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1bw9 h THR 318 Cb 0.11 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1bw9 h THR 318 CO -0.03 0.19 0.13 -0.07 0.37 0.00 0.00 175.52 176.11 1bw9 h LEU 319 N 1.05 0.82 -0.95 2.58 3.38 -0.73 0.07 115.31 121.53 1bw9 h LEU 319 Ca 0.34 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1bw9 h LEU 319 Cb 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1bw9 h LEU 319 CO -0.11 0.81 0.61 0.78 0.09 0.00 0.00 178.44 180.62 1bw9 h ASN 320 N 0.84 1.11 -0.61 -0.43 2.35 0.43 0.16 115.58 119.43 1bw9 h ASN 320 Ca 0.18 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 1bw9 h ASN 320 Cb 0.32 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1bw9 h ASN 320 CO 0.00 0.82 0.03 1.56 -1.65 0.00 0.00 177.43 178.18 1bw9 h GLN 321 N 1.30 1.07 0.32 0.81 4.20 -0.27 -1.06 115.11 121.48 1bw9 h GLN 321 Ca 0.35 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1bw9 h GLN 321 Cb -0.12 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 1bw9 h GLN 321 CO -0.07 1.02 -0.19 0.28 -0.67 0.00 0.00 178.83 179.20 1bw9 h VAL 322 N 0.98 0.59 -0.35 -0.54 2.07 -0.50 -1.63 116.25 116.86 1bw9 h VAL 322 Ca 0.18 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1bw9 h VAL 322 Cb 0.53 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1bw9 h VAL 322 CO 0.03 0.00 0.12 -0.26 0.02 0.00 0.00 177.57 177.48 1bw9 h PHE 323 N -0.49 0.50 -0.63 1.57 0.04 -0.89 -0.34 116.94 116.70 1bw9 h PHE 323 Ca -0.03 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1bw9 h PHE 323 Cb 0.41 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1bw9 h PHE 323 CO -0.09 0.41 0.24 1.49 -0.60 0.00 0.00 178.31 179.77 1bw9 h GLU 324 N 0.50 0.94 -0.12 1.51 4.81 -0.97 -0.01 114.58 121.24 1bw9 h GLU 324 Ca 0.12 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 1bw9 h GLU 324 Cb 0.14 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1bw9 h GLU 324 CO -0.01 0.80 -0.64 0.82 -0.73 0.00 0.00 179.01 179.26 1bw9 h ILE 325 N 0.88 1.35 -0.85 2.32 2.04 -0.57 -2.50 117.51 120.18 1bw9 h ILE 325 Ca 0.21 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 1bw9 h ILE 325 Cb 0.22 1.95 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1bw9 h ILE 325 CO -0.02 0.60 0.51 -1.28 0.00 0.00 0.00 178.15 177.96 1bw9 h SER 326 N 0.33 1.03 -0.27 1.72 0.87 -0.57 -0.63 113.55 116.03 1bw9 h SER 326 Ca -0.01 -0.07 -0.15 0.00 -1.23 0.00 0.00 61.79 60.32 1bw9 h SER 326 Cb 1.19 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1bw9 h SER 326 CO 0.11 0.80 -0.43 0.44 -0.53 0.00 0.00 176.83 177.23 1bw9 h ASP 327 N 1.17 0.85 -0.13 6.23 3.32 -0.97 0.01 116.42 126.91 1bw9 h ASP 327 Ca 0.30 -0.52 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 1bw9 h ASP 327 Cb -0.03 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1bw9 h ASP 327 CO -0.06 1.20 -0.36 0.78 -1.72 0.00 0.00 179.24 179.08 1bw9 h ASN 328 N 0.53 0.54 0.28 6.45 2.35 -1.27 -3.30 115.58 121.15 1bw9 h ASN 328 Ca 0.02 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 1bw9 h ASN 328 Cb 1.03 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1bw9 h ASN 328 CO 0.10 1.04 -0.48 0.47 -1.65 0.00 0.00 177.43 176.91 1bw9 n ASP 329 N -4.34 0.92 -3.29 5.81 8.00 -0.26 -4.99 116.55 118.39 1bw9 n ASP 329 Ca -0.07 -0.72 -0.16 0.00 0.71 0.00 0.00 54.79 54.55 1bw9 n ASP 329 Cb 0.52 0.33 0.08 0.00 -0.02 0.00 0.00 41.12 42.03 1bw9 n ASP 329 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bw9 n GLY 330 N 1.43 -0.76 3.42 0.44 0.00 -0.06 -5.03 105.19 104.63 1bw9 n GLY 330 Ca 0.08 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.24 1bw9 n GLY 330 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bw9 s VAL 331 N -3.37 1.05 0.83 1.61 -7.23 -0.88 -5.05 120.40 107.37 1bw9 s VAL 331 Ca 0.24 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1bw9 s VAL 331 Cb -0.03 -2.76 0.09 0.00 0.56 0.00 0.00 36.38 34.24 1bw9 s VAL 331 CO 0.72 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 177.02 1bw9 s THR 332 N -3.39 2.96 0.29 5.32 -4.23 -1.26 -4.63 115.64 110.70 1bw9 s THR 332 Ca 0.37 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1bw9 s THR 332 Cb 0.09 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 71.16 1bw9 s THR 332 CO 0.15 -0.41 1.87 -0.65 -0.54 0.00 0.00 174.62 175.04 1bw9 h PRO 333 N -1.25 0.85 -0.72 3.99 0.11 -1.92 0.75 132.00 133.81 1bw9 h PRO 333 Ca -0.48 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.48 1bw9 h PRO 333 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 1bw9 h PRO 333 CO 0.57 0.71 0.40 0.22 -0.21 0.00 0.00 178.00 179.69 1bw9 h ASP 334 N 0.83 0.90 -0.40 -2.05 3.58 -1.91 0.15 116.42 117.52 1bw9 h ASP 334 Ca 0.19 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1bw9 h ASP 334 Cb 0.20 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1bw9 h ASP 334 CO -0.01 0.74 0.03 -0.33 -2.88 0.00 0.00 179.24 176.78 1bw9 h GLU 335 N 1.00 0.70 -0.43 0.28 4.39 -1.74 -1.14 114.58 117.63 1bw9 h GLU 335 Ca 0.25 -0.21 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1bw9 h GLU 335 Cb 0.04 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1bw9 h GLU 335 CO -0.04 0.76 0.23 0.00 -1.16 0.00 0.00 179.01 178.80 1bw9 h ALA 336 N 0.90 1.60 -0.46 3.43 0.00 -0.47 0.62 119.26 124.88 1bw9 h ALA 336 Ca 0.12 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1bw9 h ALA 336 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bw9 h ALA 336 CO 0.02 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.46 1bw9 h ALA 337 N 1.66 0.63 -0.78 0.00 0.00 -0.32 0.78 119.26 121.23 1bw9 h ALA 337 Ca 0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1bw9 h ALA 337 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1bw9 h ALA 337 CO -0.02 0.56 0.32 0.00 0.00 0.00 0.00 179.25 180.10 1bw9 h ARG 338 N 0.74 1.16 -0.32 0.00 3.08 -0.67 0.35 114.38 118.73 1bw9 h ARG 338 Ca 0.11 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1bw9 h ARG 338 Cb 0.70 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1bw9 h ARG 338 CO 0.05 0.94 0.20 1.15 -1.07 0.00 0.00 179.97 181.24 1bw9 h THR 339 N 1.13 1.10 -0.48 2.04 2.02 -0.36 0.74 112.91 119.10 1bw9 h THR 339 Ca 0.26 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 1bw9 h THR 339 Cb 0.21 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1bw9 h THR 339 CO -0.02 0.10 0.26 0.25 0.37 0.00 0.00 175.52 176.48 1bw9 h LEU 340 N 0.42 0.60 -0.46 2.58 5.85 -0.45 -0.82 115.31 123.04 1bw9 h LEU 340 Ca 0.12 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1bw9 h LEU 340 Cb -0.01 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1bw9 h LEU 340 CO -0.02 0.52 0.10 0.00 -0.34 0.00 0.00 178.44 178.70 1bw9 h ALA 341 N 1.11 0.51 -0.60 1.25 0.00 0.29 0.61 119.26 122.42 1bw9 h ALA 341 Ca 0.17 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1bw9 h ALA 341 Cb 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1bw9 h ALA 341 CO -0.03 -0.30 0.20 0.78 0.00 0.00 0.00 179.25 179.90 1bw9 h GLY 342 N 0.24 0.97 0.84 0.00 0.00 -0.43 -0.22 103.07 104.47 1bw9 h GLY 342 Ca 0.23 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1bw9 h GLY 342 CO -0.29 0.50 -0.09 3.21 0.00 0.00 0.00 176.54 179.88 1bw9 h ARG 343 N 0.88 -0.24 -0.64 4.80 3.08 -0.01 -2.28 114.38 119.98 1bw9 h ARG 343 Ca 0.20 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.31 1bw9 h ARG 343 Cb 0.24 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1bw9 h ARG 343 CO -0.01 -0.03 0.37 0.00 -1.07 0.00 0.00 179.97 179.23 1bw9 h ARG 344 N -0.41 0.68 -0.58 0.04 3.08 -0.77 -0.57 114.38 115.85 1bw9 h ARG 344 Ca -0.03 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1bw9 h ARG 344 Cb 0.31 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1bw9 h ARG 344 CO 0.04 0.45 0.38 0.00 -1.07 0.00 0.00 179.97 179.77 1bw9 h ALA 345 N 1.32 0.73 0.75 0.04 0.00 -0.96 0.66 119.26 121.80 1bw9 h ALA 345 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1bw9 h ALA 345 Cb 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1bw9 h ALA 345 CO -0.15 0.17 -0.40 0.00 0.00 0.00 0.00 179.25 178.87 1bw9 h ARG 346 N 0.78 -1.02 -0.96 0.00 3.08 -0.81 -1.31 114.38 114.14 1bw9 h ARG 346 Ca 0.21 0.07 0.25 0.00 0.07 0.00 0.00 59.98 60.58 1bw9 h ARG 346 Cb -0.09 0.23 -0.13 0.00 0.08 0.00 0.00 29.97 30.07 1bw9 h ARG 346 CO -0.05 -0.68 0.51 0.93 -1.07 0.00 0.00 179.97 179.61 1bw9 h GLU 347 N -1.06 0.46 0.00 0.04 5.08 -0.86 1.45 114.58 119.69 1bw9 h GLU 347 Ca -0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1bw9 h GLU 347 Cb 0.83 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1bw9 h GLU 347 CO 0.15 0.30 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 1bw9 h ALA 348 N 1.74 1.03 -0.00 3.43 0.00 0.74 -1.53 119.26 124.67 1bw9 h ALA 348 Ca 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1bw9 h ALA 348 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bw9 h ALA 348 CO -0.52 0.05 -0.63 0.43 0.00 0.00 0.00 179.25 178.58 1bw9 n SER 349 N -3.19 0.91 0.00 0.00 7.64 0.33 -5.06 113.62 114.26 1bw9 n SER 349 Ca -0.00 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1bw9 n SER 349 Cb 0.28 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.36 1bw9 n SER 349 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10