#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr8 s LYS 2 N 0.00 1.92 -0.19 3.17 2.20 -1.26 -5.10 119.74 120.48 1wr8 s LYS 2 Ca 0.00 -1.47 -0.15 0.00 -0.36 0.00 0.00 55.97 53.99 1wr8 s LYS 2 Cb 0.00 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.27 1wr8 s LYS 2 CO 0.00 0.39 0.36 0.42 -0.36 0.00 0.00 175.35 176.16 1wr8 s ILE 3 N -2.02 5.23 -0.13 5.43 -1.09 -1.26 -4.34 121.20 123.02 1wr8 s ILE 3 Ca 0.27 0.65 0.02 0.00 -2.23 0.00 0.00 60.65 59.35 1wr8 s ILE 3 Cb -0.07 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.10 1wr8 s ILE 3 CO 0.15 0.29 0.19 0.29 -1.23 0.00 0.00 174.94 174.62 1wr8 n LYS 4 N 4.27 4.88 -3.62 2.79 5.02 0.19 -5.01 118.16 126.69 1wr8 n LYS 4 Ca -0.09 -0.13 -0.12 0.00 -2.02 0.00 0.00 58.31 55.94 1wr8 n LYS 4 Cb 0.51 -0.69 -0.05 0.00 -0.02 0.00 0.00 35.03 34.79 1wr8 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wr8 s ALA 5 N -0.98 -1.07 -0.14 7.82 0.00 -1.11 -4.15 121.76 122.13 1wr8 s ALA 5 Ca 0.01 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.22 1wr8 s ALA 5 Cb 0.02 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1wr8 s ALA 5 CO 0.07 -0.56 -0.19 0.42 0.00 0.00 0.00 175.76 175.50 1wr8 s ILE 6 N -3.10 1.85 -0.07 0.00 1.01 -0.75 -1.31 121.20 118.82 1wr8 s ILE 6 Ca -0.01 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 1wr8 s ILE 6 Cb 0.00 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1wr8 s ILE 6 CO -0.07 0.51 0.15 -0.94 0.00 0.00 0.00 174.94 174.59 1wr8 s SER 7 N 1.02 6.30 -0.18 3.58 1.04 0.70 -0.45 113.70 125.71 1wr8 s SER 7 Ca -0.03 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.64 1wr8 s SER 7 Cb -0.15 -1.99 0.05 0.00 0.10 0.00 0.00 66.02 64.03 1wr8 s SER 7 CO -0.05 0.34 0.46 -0.51 0.98 0.00 0.00 173.24 174.47 1wr8 s ILE 8 N -1.15 -0.00 0.80 -1.02 2.07 -0.13 -1.02 121.20 120.75 1wr8 s ILE 8 Ca 0.20 0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.35 1wr8 s ILE 8 Cb -0.12 -0.65 0.08 0.00 0.13 0.00 0.00 42.46 41.89 1wr8 s ILE 8 CO 0.10 0.01 1.11 -1.81 -1.91 0.00 0.00 174.94 172.44 1wr8 s ASP 9 N 0.52 4.12 0.00 4.50 -0.00 -0.87 -0.81 116.67 124.12 1wr8 s ASP 9 Ca -0.02 1.94 0.00 0.00 -0.00 0.00 0.00 52.55 54.47 1wr8 s ASP 9 Cb -0.04 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.34 1wr8 s ASP 9 CO -0.03 -2.30 0.00 -0.38 -0.00 0.00 0.00 175.17 172.46 1wr8 n ILE 10 N -3.62 0.00 -1.72 0.77 5.41 -0.89 -4.00 119.36 115.30 1wr8 n ILE 10 Ca 0.10 0.25 -0.42 0.00 1.00 0.00 0.00 62.75 63.68 1wr8 n ILE 10 Cb 0.53 -1.04 -0.01 0.00 -0.71 0.00 0.00 39.64 38.40 1wr8 n ILE 10 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1wr8 n ASP 11 N -1.69 3.28 0.00 4.38 10.43 -1.26 -1.50 116.55 130.19 1wr8 n ASP 11 Ca 0.00 1.19 0.00 0.00 2.57 0.00 0.00 54.79 58.55 1wr8 n ASP 11 Cb 0.00 -1.54 0.00 0.00 1.84 0.00 0.00 41.12 41.42 1wr8 n ASP 11 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wr8 n GLY 12 N 1.20 0.41 0.24 0.44 0.00 -1.26 -4.68 105.19 101.55 1wr8 n GLY 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wr8 n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wr8 n THR 13 N -2.00 0.00 -0.40 2.61 -1.04 -0.90 -3.75 114.28 108.79 1wr8 n THR 13 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1wr8 n THR 13 Cb 0.00 -0.65 0.05 0.00 -1.82 0.00 0.00 70.33 67.91 1wr8 n THR 13 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1wr8 n ILE 14 N -2.51 1.30 -4.50 12.58 -5.35 -0.56 -2.70 119.36 117.61 1wr8 n ILE 14 Ca 0.00 -1.44 -0.24 0.00 -0.27 0.00 0.00 62.75 60.80 1wr8 n ILE 14 Cb 0.44 0.24 -0.10 0.00 -1.74 0.00 0.00 39.64 38.48 1wr8 n ILE 14 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1wr8 s THR 15 N -1.66 1.25 0.80 7.28 -4.23 -1.24 -1.18 115.64 116.66 1wr8 s THR 15 Ca 0.11 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 1wr8 s THR 15 Cb 0.10 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.29 1wr8 s THR 15 CO 0.01 0.00 1.15 -0.31 -0.54 0.00 0.00 174.62 174.93 1wr8 s TYR 16 N -3.16 2.78 0.51 3.99 2.02 0.00 -0.72 117.35 122.78 1wr8 s TYR 16 Ca 0.33 0.61 0.20 0.00 -0.37 0.00 0.00 57.07 57.84 1wr8 s TYR 16 Cb 0.08 -3.47 1.30 0.00 -0.40 0.00 0.00 41.96 39.46 1wr8 s TYR 16 CO 0.15 -1.77 2.05 -1.35 -1.57 0.00 0.00 175.55 173.06 1wr8 h PRO 17 N -0.99 0.06 -0.04 -1.71 0.11 -1.97 -0.81 132.00 126.65 1wr8 h PRO 17 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wr8 h PRO 17 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wr8 h PRO 17 CO 0.61 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 1wr8 n ASN 18 N -4.45 0.23 0.00 -2.05 6.94 -1.26 -4.89 115.26 109.78 1wr8 n ASN 18 Ca 0.05 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1wr8 n ASN 18 Cb 0.39 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 1wr8 n ASN 18 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wr8 n ARG 19 N -0.40 0.00 -2.96 -3.83 1.74 -0.31 -5.04 116.66 105.86 1wr8 n ARG 19 Ca 0.03 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.78 1wr8 n ARG 19 Cb 0.04 -2.47 -0.07 0.00 -1.02 0.00 0.00 32.46 28.94 1wr8 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wr8 s MET 20 N -0.02 4.13 0.25 5.56 0.23 -1.26 -4.74 119.30 123.45 1wr8 s MET 20 Ca 0.00 0.93 -0.31 0.00 -1.03 0.00 0.00 55.69 55.28 1wr8 s MET 20 Cb 0.00 -2.29 -0.13 0.00 -1.53 0.00 0.00 34.83 30.88 1wr8 s MET 20 CO 0.00 0.05 1.39 -0.89 -2.03 0.00 0.00 175.02 173.54 1wr8 n ILE 21 N -0.52 1.09 -3.41 3.16 5.41 -1.26 -0.81 119.36 123.01 1wr8 n ILE 21 Ca 0.06 -0.27 -0.38 0.00 1.00 0.00 0.00 62.75 63.15 1wr8 n ILE 21 Cb 0.54 -1.48 -0.08 0.00 -0.71 0.00 0.00 39.64 37.91 1wr8 n ILE 21 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1wr8 s HIS 22 N -0.19 3.37 0.39 1.39 5.65 -0.32 -4.70 115.29 120.87 1wr8 s HIS 22 Ca 0.67 0.59 0.12 0.00 0.25 0.00 0.00 55.06 56.68 1wr8 s HIS 22 Cb -0.64 -2.50 0.91 0.00 -1.18 0.00 0.00 32.58 29.16 1wr8 s HIS 22 CO 0.51 0.00 1.90 0.93 -0.65 0.00 0.00 174.74 177.43 1wr8 h GLU 23 N 7.36 0.56 -0.43 2.88 3.07 -1.93 -0.19 114.58 125.91 1wr8 h GLU 23 Ca -0.36 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.34 1wr8 h GLU 23 Cb 1.16 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.93 1wr8 h GLU 23 CO 0.71 0.37 -0.24 0.87 -1.40 0.00 0.00 179.01 179.33 1wr8 h LYS 24 N 0.58 0.88 -0.37 2.33 1.57 -1.94 -1.41 116.57 118.22 1wr8 h LYS 24 Ca 0.41 -0.37 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 1wr8 h LYS 24 Cb 0.74 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1wr8 h LYS 24 CO -0.16 1.02 -0.41 0.00 -0.57 0.00 0.00 179.45 179.33 1wr8 h ALA 25 N 0.97 0.57 -0.37 3.86 0.00 -1.46 -1.47 119.26 121.36 1wr8 h ALA 25 Ca 0.10 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1wr8 h ALA 25 Cb 0.78 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1wr8 h ALA 25 CO 0.06 0.68 0.16 1.25 0.00 0.00 0.00 179.25 181.41 1wr8 h LEU 26 N 0.74 0.22 -0.62 0.00 5.85 -0.89 -0.13 115.31 120.48 1wr8 h LEU 26 Ca 0.05 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1wr8 h LEU 26 Cb 1.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1wr8 h LEU 26 CO 0.10 0.17 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.67 1wr8 h GLU 27 N 0.34 0.68 -0.64 1.25 5.08 -1.18 -1.61 114.58 118.51 1wr8 h GLU 27 Ca 0.16 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1wr8 h GLU 27 Cb 0.10 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1wr8 h GLU 27 CO -0.13 0.94 0.07 0.00 -1.00 0.00 0.00 179.01 178.88 1wr8 h ALA 28 N 1.03 0.90 -0.32 3.43 0.00 -0.87 -0.41 119.26 123.01 1wr8 h ALA 28 Ca 0.06 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1wr8 h ALA 28 Cb 0.88 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wr8 h ALA 28 CO 0.08 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.85 1wr8 h ILE 29 N 1.00 1.24 -0.48 0.00 2.04 -0.86 -0.60 117.51 119.86 1wr8 h ILE 29 Ca 0.19 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1wr8 h ILE 29 Cb 0.48 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1wr8 h ILE 29 CO 0.02 0.28 0.08 0.03 0.00 0.00 0.00 178.15 178.57 1wr8 h ARG 30 N 0.37 0.74 -0.34 2.37 3.08 -1.04 -0.91 114.38 118.64 1wr8 h ARG 30 Ca 0.10 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 1wr8 h ARG 30 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1wr8 h ARG 30 CO 0.01 0.70 -0.14 -0.09 -1.07 0.00 0.00 179.97 179.38 1wr8 h ARG 31 N 0.71 0.70 -0.52 0.04 2.43 -0.84 -2.10 114.38 114.80 1wr8 h ARG 31 Ca 0.15 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1wr8 h ARG 31 Cb 0.32 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1wr8 h ARG 31 CO 0.00 0.89 0.30 0.00 -1.51 0.00 0.00 179.97 179.66 1wr8 h ALA 32 N 0.79 0.67 -0.78 2.80 0.00 -0.70 -1.69 119.26 120.35 1wr8 h ALA 32 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wr8 h ALA 32 Cb 0.67 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1wr8 h ALA 32 CO 0.04 0.00 0.47 0.93 0.00 0.00 0.00 179.25 180.70 1wr8 h GLU 33 N 0.60 1.05 0.00 0.00 4.39 -1.10 -1.12 114.58 118.40 1wr8 h GLU 33 Ca 0.21 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1wr8 h GLU 33 Cb 0.04 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1wr8 h GLU 33 CO -0.11 0.74 0.00 0.66 -1.16 0.00 0.00 179.01 179.15 1wr8 h SER 34 N 1.06 0.00 -0.21 1.42 4.64 -0.65 -0.18 113.55 119.63 1wr8 h SER 34 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1wr8 h SER 34 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1wr8 h SER 34 CO -0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 1wr8 n LEU 35 N -2.79 2.08 0.00 5.97 4.77 -0.49 -4.92 117.00 121.62 1wr8 n LEU 35 Ca -0.00 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1wr8 n LEU 35 Cb 0.18 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1wr8 n LEU 35 CO 0.21 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1wr8 n GLY 36 N 1.22 0.53 3.22 -0.72 0.00 -0.08 -5.04 105.19 104.32 1wr8 n GLY 36 Ca 0.17 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1wr8 n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr8 s ILE 37 N -2.00 3.69 0.42 -0.61 -1.09 -0.82 -5.00 121.20 115.78 1wr8 s ILE 37 Ca 0.00 -1.47 -0.26 0.00 -2.23 0.00 0.00 60.65 56.69 1wr8 s ILE 37 Cb 0.00 -3.25 -0.08 0.00 -1.58 0.00 0.00 42.46 37.55 1wr8 s ILE 37 CO 0.00 -0.39 1.31 -2.84 -1.23 0.00 0.00 174.94 171.79 1wr8 s PRO 38 N 1.33 3.91 -0.19 2.79 0.02 -1.26 -3.58 135.00 138.02 1wr8 s PRO 38 Ca 0.02 2.17 -0.05 0.00 0.02 0.00 0.00 61.00 63.15 1wr8 s PRO 38 Cb -0.21 -2.72 -0.03 0.00 0.02 0.00 0.00 34.50 31.55 1wr8 s PRO 38 CO 0.00 -0.55 0.01 0.42 -0.33 0.00 0.00 177.00 176.56 1wr8 s ILE 39 N -1.27 4.20 -0.32 2.83 -1.09 -1.26 -1.82 121.20 122.48 1wr8 s ILE 39 Ca 0.58 -0.24 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 1wr8 s ILE 39 Cb -0.38 -2.89 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 1wr8 s ILE 39 CO 0.49 0.45 0.10 -0.04 -1.23 0.00 0.00 174.94 174.71 1wr8 s MET 40 N 0.69 2.94 0.23 2.79 -1.94 0.41 -1.92 119.30 122.50 1wr8 s MET 40 Ca 0.01 -0.96 -0.30 0.00 -1.71 0.00 0.00 55.69 52.72 1wr8 s MET 40 Cb -0.14 -3.44 -0.09 0.00 2.01 0.00 0.00 34.83 33.17 1wr8 s MET 40 CO 0.02 -0.53 1.04 -0.51 -0.01 0.00 0.00 175.02 175.03 1wr8 s LEU 41 N 1.48 4.56 -0.04 -0.03 1.43 -1.24 -0.95 118.68 123.89 1wr8 s LEU 41 Ca 0.01 2.10 0.05 0.00 -1.03 0.00 0.00 54.13 55.27 1wr8 s LEU 41 Cb -0.18 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 1wr8 s LEU 41 CO 0.03 -0.06 -0.19 -0.69 0.23 0.00 0.00 176.35 175.67 1wr8 s VAL 42 N -0.89 1.53 0.15 -1.59 1.01 0.01 -0.42 120.40 120.20 1wr8 s VAL 42 Ca 0.45 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1wr8 s VAL 42 Cb -0.29 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.85 1wr8 s VAL 42 CO 0.36 0.44 0.60 0.28 0.00 0.00 0.00 175.10 176.78 1wr8 s THR 43 N -0.07 0.00 -1.47 3.92 -1.32 0.24 -2.09 115.64 114.84 1wr8 s THR 43 Ca -0.02 -0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.71 1wr8 s THR 43 Cb -0.11 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.97 1wr8 s THR 43 CO 0.02 -0.00 1.38 0.61 -2.21 0.00 0.00 174.62 174.41 1wr8 n GLY 44 N -0.34 -0.77 3.75 6.08 0.00 -1.26 -1.41 105.19 111.24 1wr8 n GLY 44 Ca -0.17 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1wr8 n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wr8 s ASN 45 N -2.71 1.62 0.90 1.61 3.84 -1.26 -4.10 114.94 114.83 1wr8 s ASN 45 Ca 0.17 0.32 -0.11 0.00 0.21 0.00 0.00 52.86 53.45 1wr8 s ASN 45 Cb 0.18 -0.35 0.13 0.00 -0.55 0.00 0.00 41.25 40.67 1wr8 s ASN 45 CO 0.63 -3.66 1.09 0.42 -2.79 0.00 0.00 177.10 172.79 1wr8 s THR 46 N -3.49 2.62 0.29 -5.21 -4.23 -1.26 -0.89 115.64 103.47 1wr8 s THR 46 Ca 0.75 0.20 0.14 0.00 -1.18 0.00 0.00 61.69 61.60 1wr8 s THR 46 Cb -0.05 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.31 1wr8 s THR 46 CO 0.55 -0.26 1.73 1.62 -0.54 0.00 0.00 174.62 177.72 1wr8 h VAL 47 N -1.65 1.22 -0.49 2.29 3.04 -1.92 -1.67 116.25 117.07 1wr8 h VAL 47 Ca -0.48 -1.62 -0.13 0.00 -1.01 0.00 0.00 66.70 63.45 1wr8 h VAL 47 Cb 1.28 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 1wr8 h VAL 47 CO 0.51 0.45 -0.21 1.56 -1.01 0.00 0.00 177.57 178.86 1wr8 h GLN 48 N 0.00 1.00 -0.21 4.17 7.50 -1.91 -0.15 115.11 125.51 1wr8 h GLN 48 Ca -0.00 -0.43 -0.02 0.00 0.50 0.00 0.00 58.65 58.70 1wr8 h GLN 48 Cb 0.86 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.35 1wr8 h GLN 48 CO 0.06 1.11 0.04 0.35 -1.50 0.00 0.00 178.83 178.89 1wr8 h PHE 49 N 0.86 0.37 -0.83 2.96 3.04 -1.85 -1.79 116.94 119.71 1wr8 h PHE 49 Ca 0.11 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.03 1wr8 h PHE 49 Cb 0.79 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.15 1wr8 h PHE 49 CO 0.05 0.48 0.54 0.00 -2.02 0.00 0.00 178.31 177.36 1wr8 h ALA 50 N 0.85 1.07 -0.48 2.41 0.00 -1.13 -0.16 119.26 121.82 1wr8 h ALA 50 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1wr8 h ALA 50 Cb 0.30 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1wr8 h ALA 50 CO 0.00 0.40 0.17 0.93 0.00 0.00 0.00 179.25 180.76 1wr8 h GLU 51 N 1.07 0.74 -0.59 0.00 5.08 -0.88 -0.94 114.58 119.06 1wr8 h GLU 51 Ca 0.32 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1wr8 h GLU 51 Cb -0.05 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1wr8 h GLU 51 CO -0.09 0.68 0.38 0.00 -1.00 0.00 0.00 179.01 178.98 1wr8 h ALA 52 N 1.02 0.75 -0.65 3.43 0.00 -0.78 -1.19 119.26 121.83 1wr8 h ALA 52 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wr8 h ALA 52 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wr8 h ALA 52 CO -0.01 0.20 0.43 0.00 0.00 0.00 0.00 179.25 179.87 1wr8 h ALA 53 N 1.20 0.83 -0.65 0.00 0.00 -0.75 -0.27 119.26 119.62 1wr8 h ALA 53 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1wr8 h ALA 53 Cb -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1wr8 h ALA 53 CO -0.04 0.26 0.37 1.03 0.00 0.00 0.00 179.25 180.87 1wr8 h SER 54 N 0.89 0.80 -0.07 0.00 0.87 -0.63 0.01 113.55 115.41 1wr8 h SER 54 Ca 0.24 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1wr8 h SER 54 Cb -0.10 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 1wr8 h SER 54 CO -0.05 0.65 0.02 0.40 -0.53 0.00 0.00 176.83 177.31 1wr8 h ILE 55 N 0.88 1.19 -0.31 2.23 2.04 -0.75 0.17 117.51 122.97 1wr8 h ILE 55 Ca 0.23 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 1wr8 h ILE 55 Cb 0.02 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1wr8 h ILE 55 CO -0.04 0.17 -0.18 -0.07 0.00 0.00 0.00 178.15 178.03 1wr8 h LEU 56 N -0.10 0.69 -0.11 1.44 3.38 -0.95 -3.26 115.31 116.41 1wr8 h LEU 56 Ca 0.02 -0.42 -0.18 0.00 0.09 0.00 0.00 57.88 57.39 1wr8 h LEU 56 Cb 0.25 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1wr8 h LEU 56 CO 0.00 0.96 -0.62 0.40 0.09 0.00 0.00 178.44 179.27 1wr8 h ILE 57 N 0.42 1.34 0.00 1.22 2.04 -1.04 -3.49 117.51 118.00 1wr8 h ILE 57 Ca 0.06 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 64.02 1wr8 h ILE 57 Cb 0.72 2.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1wr8 h ILE 57 CO 0.05 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.39 1wr8 n GLY 58 N 0.74 1.28 3.86 5.37 0.00 0.51 -4.83 105.19 112.12 1wr8 n GLY 58 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1wr8 n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wr8 s THR 59 N -2.00 4.93 -0.52 2.61 -4.23 -0.66 -4.90 115.64 110.87 1wr8 s THR 59 Ca 0.00 0.56 0.10 0.00 -1.18 0.00 0.00 61.69 61.18 1wr8 s THR 59 Cb 0.00 -3.66 -0.11 0.00 1.34 0.00 0.00 72.50 70.08 1wr8 s THR 59 CO 0.00 0.06 0.45 -1.54 -0.54 0.00 0.00 174.62 173.06 1wr8 n SER 60 N 0.26 0.53 -4.91 3.99 3.41 -1.26 -4.76 113.62 110.88 1wr8 n SER 60 Ca -0.02 -0.76 -0.27 0.00 -0.26 0.00 0.00 58.87 57.55 1wr8 n SER 60 Cb 0.52 0.97 0.06 0.00 -0.26 0.00 0.00 64.21 65.50 1wr8 n SER 60 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wr8 s GLY 61 N -1.95 1.64 0.80 5.00 0.00 -0.81 -4.91 107.32 107.09 1wr8 s GLY 61 Ca 0.04 -0.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 1wr8 s GLY 61 CO 0.42 -0.32 1.17 -4.14 0.00 0.00 0.00 173.10 170.22 1wr8 s PRO 62 N -5.24 1.73 -0.05 2.90 0.02 -1.26 -4.74 135.00 128.36 1wr8 s PRO 62 Ca 0.58 1.60 -0.01 0.00 0.02 0.00 0.00 61.00 63.20 1wr8 s PRO 62 Cb -0.11 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1wr8 s PRO 62 CO 0.47 -2.11 0.01 0.14 -0.33 0.00 0.00 177.00 175.18 1wr8 s VAL 63 N -2.36 4.31 -0.28 3.83 -7.23 -0.15 -3.66 120.40 114.86 1wr8 s VAL 63 Ca 0.70 -0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 60.44 1wr8 s VAL 63 Cb -0.25 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.84 1wr8 s VAL 63 CO 0.51 0.50 0.02 -0.69 -0.31 0.00 0.00 175.10 175.14 1wr8 s VAL 64 N -0.99 3.44 0.44 1.32 1.01 0.44 -1.86 120.40 124.19 1wr8 s VAL 64 Ca 0.16 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1wr8 s VAL 64 Cb -0.11 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.46 1wr8 s VAL 64 CO 0.06 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.23 1wr8 n ALA 65 N 4.76 0.38 -4.16 5.51 0.00 0.11 -0.59 120.51 126.51 1wr8 n ALA 65 Ca -0.15 -1.98 -0.34 0.00 0.00 0.00 0.00 53.44 50.96 1wr8 n ALA 65 Cb 0.47 1.09 -0.02 0.00 0.00 0.00 0.00 19.45 20.99 1wr8 n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wr8 n GLU 66 N -1.09 -3.43 -3.87 0.00 1.02 -0.07 -0.61 120.64 112.60 1wr8 n GLU 66 Ca -0.18 0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 57.06 1wr8 n GLU 66 Cb 0.56 -5.06 0.02 0.00 -0.02 0.00 0.00 31.44 26.94 1wr8 n GLU 66 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wr8 n ASP 67 N -2.72 -4.65 0.00 1.62 8.00 -0.50 -1.68 116.55 116.63 1wr8 n ASP 67 Ca 0.02 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1wr8 n ASP 67 Cb 0.52 -3.73 0.00 0.00 -0.02 0.00 0.00 41.12 37.89 1wr8 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wr8 n GLY 68 N -1.61 0.50 0.13 0.44 0.00 0.22 -2.20 105.19 102.68 1wr8 n GLY 68 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1wr8 n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wr8 h GLY 69 N 0.00 0.00 -4.85 -0.02 0.00 -0.41 -3.36 103.07 94.43 1wr8 h GLY 69 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 1wr8 h GLY 69 CO 0.00 0.00 -0.80 0.00 0.00 0.00 0.00 176.54 175.74 1wr8 s ALA 70 N -3.02 1.14 -0.00 3.60 0.00 -0.77 -0.40 121.76 122.30 1wr8 s ALA 70 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1wr8 s ALA 70 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1wr8 s ALA 70 CO 0.76 0.23 -0.06 0.42 0.00 0.00 0.00 175.76 177.12 1wr8 s ILE 71 N -0.66 0.47 -0.02 0.00 1.01 -0.04 0.05 121.20 122.02 1wr8 s ILE 71 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1wr8 s ILE 71 Cb -0.07 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1wr8 s ILE 71 CO 0.01 0.11 -0.03 -0.55 0.00 0.00 0.00 174.94 174.48 1wr8 s SER 72 N -0.22 0.48 -0.19 3.58 0.15 -0.78 -0.42 113.70 116.30 1wr8 s SER 72 Ca 0.02 -0.06 -0.09 0.00 0.70 0.00 0.00 55.95 56.52 1wr8 s SER 72 Cb -0.03 -0.14 0.07 0.00 -1.71 0.00 0.00 66.02 64.22 1wr8 s SER 72 CO -0.00 -0.01 0.45 -0.47 1.20 0.00 0.00 173.24 174.41 1wr8 s TYR 73 N 0.36 -0.74 -1.47 3.44 6.04 -0.83 -0.98 117.35 123.16 1wr8 s TYR 73 Ca -0.04 1.49 -0.10 0.00 0.04 0.00 0.00 57.07 58.46 1wr8 s TYR 73 Cb -0.07 0.33 0.06 0.00 -1.04 0.00 0.00 41.96 41.25 1wr8 s TYR 73 CO -0.01 -0.42 0.92 1.63 -1.54 0.00 0.00 175.55 176.13 1wr8 n LYS 74 N 4.70 -5.46 -1.14 4.97 5.02 -1.26 -1.57 118.16 123.42 1wr8 n LYS 74 Ca -0.18 0.61 -0.05 0.00 -2.02 0.00 0.00 58.31 56.67 1wr8 n LYS 74 Cb 0.53 -5.42 -0.02 0.00 -0.02 0.00 0.00 35.03 30.10 1wr8 n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1wr8 n LYS 75 N -4.60 -0.91 -3.93 1.97 5.02 -1.26 -5.00 118.16 109.45 1wr8 n LYS 75 Ca -0.05 0.54 -0.35 0.00 -2.02 0.00 0.00 58.31 56.44 1wr8 n LYS 75 Cb 0.57 -4.41 -0.14 0.00 -0.02 0.00 0.00 35.03 31.03 1wr8 n LYS 75 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wr8 s LYS 76 N -1.90 3.01 -0.03 1.97 2.47 -0.61 -5.10 119.74 119.57 1wr8 s LYS 76 Ca 0.00 -0.86 -0.15 0.00 -1.56 0.00 0.00 55.97 53.40 1wr8 s LYS 76 Cb 0.00 -3.02 -0.05 0.00 -1.46 0.00 0.00 37.83 33.30 1wr8 s LYS 76 CO 0.00 -0.34 0.40 1.03 0.16 0.00 0.00 175.35 176.60 1wr8 s ARG 77 N 1.38 3.98 -0.07 4.03 0.52 -1.26 -1.97 118.95 125.56 1wr8 s ARG 77 Ca 0.02 0.38 -0.01 0.00 -0.52 0.00 0.00 55.73 55.61 1wr8 s ARG 77 Cb -0.16 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.08 1wr8 s ARG 77 CO -0.04 0.60 -0.02 0.42 0.02 0.00 0.00 175.30 176.28 1wr8 s ILE 78 N -0.78 0.49 -0.18 1.52 -1.09 0.45 -5.00 121.20 116.60 1wr8 s ILE 78 Ca 0.23 0.00 -0.07 0.00 -2.23 0.00 0.00 60.65 58.59 1wr8 s ILE 78 Cb -0.16 -0.60 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 1wr8 s ILE 78 CO 0.12 0.26 0.04 -0.36 -1.23 0.00 0.00 174.94 173.77 1wr8 s PHE 79 N 1.62 3.19 -2.07 3.97 0.40 -1.26 -0.86 117.98 122.96 1wr8 s PHE 79 Ca 0.00 -0.04 0.13 0.00 -0.60 0.00 0.00 56.93 56.42 1wr8 s PHE 79 Cb -0.13 -2.06 0.44 0.00 0.51 0.00 0.00 43.02 41.77 1wr8 s PHE 79 CO -0.04 0.08 1.34 1.28 0.70 0.00 0.00 175.22 178.57 1wr8 n LEU 80 N 3.63 1.68 -3.65 -0.37 4.77 0.46 -4.91 117.00 118.61 1wr8 n LEU 80 Ca -0.17 -0.80 -0.05 0.00 -0.03 0.00 0.00 56.01 54.96 1wr8 n LEU 80 Cb 0.52 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1wr8 n LEU 80 CO 0.34 0.40 0.73 0.00 -1.33 0.00 0.00 177.39 177.53 1wr8 s ALA 81 N -1.64 -1.76 0.21 -1.18 0.00 -1.26 -5.02 121.76 111.12 1wr8 s ALA 81 Ca 0.25 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.75 1wr8 s ALA 81 Cb 0.13 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1wr8 s ALA 81 CO 0.18 -0.90 0.01 -1.54 0.00 0.00 0.00 175.76 173.51 1wr8 s SER 82 N -2.75 1.48 -0.03 0.00 1.04 -1.25 -4.38 113.70 107.81 1wr8 s SER 82 Ca 0.09 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.30 1wr8 s SER 82 Cb -0.01 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1wr8 s SER 82 CO -0.03 -0.56 0.04 -0.04 0.98 0.00 0.00 173.24 173.63 1wr8 s MET 83 N -3.91 2.99 0.17 4.02 -1.94 -1.21 -4.89 119.30 114.54 1wr8 s MET 83 Ca 0.28 -0.48 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 1wr8 s MET 83 Cb 0.06 -2.81 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1wr8 s MET 83 CO 0.07 0.66 0.00 -3.47 -0.01 0.00 0.00 175.02 172.28 1wr8 n ASP 84 N 1.51 -1.51 0.26 3.03 2.03 -1.26 -4.92 116.55 115.70 1wr8 n ASP 84 Ca -0.15 0.33 0.11 0.00 0.52 0.00 0.00 54.79 55.60 1wr8 n ASP 84 Cb 0.53 1.70 0.73 0.00 -0.72 0.00 0.00 41.12 43.36 1wr8 n ASP 84 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wr8 h GLU 85 N 0.00 0.00 -0.16 -0.67 5.08 -1.99 -1.19 114.58 115.65 1wr8 h GLU 85 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wr8 h GLU 85 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1wr8 h GLU 85 CO 0.00 0.09 0.06 0.93 -1.00 0.00 0.00 179.01 179.09 1wr8 h GLU 86 N 0.00 0.22 -0.00 2.33 3.07 -1.96 -0.17 114.58 118.08 1wr8 h GLU 86 Ca -0.00 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 1wr8 h GLU 86 Cb 0.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1wr8 h GLU 86 CO 0.01 0.19 -0.85 -1.49 -1.40 0.00 0.00 179.01 175.47 1wr8 h TRP 87 N 0.22 0.26 -0.42 4.33 -0.00 -1.58 -0.65 115.95 118.10 1wr8 h TRP 87 Ca 0.06 -0.14 -0.08 0.00 -0.00 0.00 0.00 58.89 58.73 1wr8 h TRP 87 Cb 0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.17 1wr8 h TRP 87 CO 0.00 0.94 -0.04 0.82 -0.00 0.00 0.00 178.44 180.16 1wr8 h ILE 88 N 0.10 1.27 0.17 1.49 2.04 -1.20 -1.54 117.51 119.83 1wr8 h ILE 88 Ca -0.04 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1wr8 h ILE 88 Cb 1.47 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1wr8 h ILE 88 CO 0.13 0.38 -0.08 0.25 0.00 0.00 0.00 178.15 178.82 1wr8 h LEU 89 N 0.61 -0.20 -1.25 1.44 5.85 -0.98 -2.81 115.31 117.97 1wr8 h LEU 89 Ca 0.11 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1wr8 h LEU 89 Cb 0.55 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1wr8 h LEU 89 CO 0.03 -0.00 0.18 -0.25 -0.34 0.00 0.00 178.44 178.06 1wr8 h TRP 90 N -0.38 0.70 -0.34 1.25 2.91 -1.09 -1.86 115.95 117.13 1wr8 h TRP 90 Ca -0.02 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.91 1wr8 h TRP 90 Cb 0.30 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 1wr8 h TRP 90 CO -0.02 0.55 0.01 -0.97 -1.03 0.00 0.00 178.44 176.98 1wr8 h ASN 91 N 0.69 0.50 -0.32 2.65 -1.24 -1.19 0.10 115.58 116.76 1wr8 h ASN 91 Ca 0.17 -0.09 -0.11 0.00 0.71 0.00 0.00 56.30 56.97 1wr8 h ASN 91 Cb 0.16 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 1wr8 h ASN 91 CO -0.01 0.56 -0.23 -0.08 -1.29 0.00 0.00 177.43 176.38 1wr8 h GLU 92 N 0.51 0.72 -0.81 6.67 4.57 -1.12 -2.52 114.58 122.61 1wr8 h GLU 92 Ca 0.11 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 1wr8 h GLU 92 Cb 0.32 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 1wr8 h GLU 92 CO 0.01 0.96 0.36 0.82 -1.18 0.00 0.00 179.01 179.98 1wr8 h ILE 93 N 0.48 1.26 -0.25 2.32 2.04 -0.75 -1.37 117.51 121.24 1wr8 h ILE 93 Ca 0.06 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1wr8 h ILE 93 Cb 0.79 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1wr8 h ILE 93 CO 0.06 0.32 0.07 -0.09 0.00 0.00 0.00 178.15 178.51 1wr8 h ARG 94 N 1.16 0.18 -0.16 2.37 2.43 -0.70 0.65 114.38 120.30 1wr8 h ARG 94 Ca 0.27 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1wr8 h ARG 94 Cb 0.16 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1wr8 h ARG 94 CO -0.03 0.12 -0.48 0.87 -1.51 0.00 0.00 179.97 178.94 1wr8 h LYS 95 N 0.18 0.42 0.00 0.20 1.57 -1.19 -3.29 116.57 114.47 1wr8 h LYS 95 Ca 0.11 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.51 1wr8 h LYS 95 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1wr8 h LYS 95 CO -0.13 0.81 -1.77 0.54 -0.57 0.00 0.00 179.45 178.34 1wr8 n ARG 96 N -3.98 0.65 -3.55 3.15 1.74 -0.54 -4.69 116.66 109.43 1wr8 n ARG 96 Ca -0.02 0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 1wr8 n ARG 96 Cb 0.55 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 1wr8 n ARG 96 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1wr8 s PHE 97 N -3.03 1.72 -0.15 -1.55 0.08 0.22 -4.99 117.98 110.28 1wr8 s PHE 97 Ca -0.06 -2.50 0.19 0.00 0.12 0.00 0.00 56.93 54.69 1wr8 s PHE 97 Cb 0.10 -1.44 1.03 0.00 -0.57 0.00 0.00 43.02 42.14 1wr8 s PHE 97 CO 0.84 -0.76 1.55 -0.35 -0.10 0.00 0.00 175.22 176.40 1wr8 n PRO 98 N 2.86 0.12 0.01 0.24 -0.04 -1.24 -1.65 135.00 135.30 1wr8 n PRO 98 Ca 0.23 0.62 0.11 0.00 -0.04 0.00 0.00 63.50 64.42 1wr8 n PRO 98 Cb 0.42 -1.99 -0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1wr8 n PRO 98 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wr8 n ASN 99 N -2.19 0.64 -4.77 3.54 3.02 -1.26 -4.94 115.26 109.30 1wr8 n ASN 99 Ca -0.01 -0.39 -0.40 0.00 -0.03 0.00 0.00 54.58 53.75 1wr8 n ASN 99 Cb 0.11 0.88 -0.01 0.00 -0.61 0.00 0.00 39.78 40.16 1wr8 n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wr8 s ALA 100 N -3.15 3.34 0.05 5.41 0.00 -0.66 -4.84 121.76 121.91 1wr8 s ALA 100 Ca 0.05 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1wr8 s ALA 100 Cb 0.15 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1wr8 s ALA 100 CO 0.82 -0.85 -0.07 1.03 0.00 0.00 0.00 175.76 176.69 1wr8 s ARG 101 N -2.15 0.59 0.29 0.00 1.81 -1.26 -4.97 118.95 113.26 1wr8 s ARG 101 Ca 0.55 -0.91 0.08 0.00 -1.72 0.00 0.00 55.73 53.72 1wr8 s ARG 101 Cb -0.40 -0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 33.86 1wr8 s ARG 101 CO 0.52 0.02 0.19 0.95 -0.68 0.00 0.00 175.30 176.30 1wr8 s THR 102 N -2.08 3.80 0.45 0.02 -4.23 -1.26 -1.08 115.64 111.27 1wr8 s THR 102 Ca -0.04 -1.50 -0.25 0.00 -1.18 0.00 0.00 61.69 58.71 1wr8 s THR 102 Cb -0.05 -3.19 -0.08 0.00 1.34 0.00 0.00 72.50 70.51 1wr8 s THR 102 CO -0.02 -0.27 1.42 -0.55 -0.54 0.00 0.00 174.62 174.66 1wr8 s SER 103 N -3.87 5.90 0.31 3.99 0.15 0.13 -4.77 113.70 115.54 1wr8 s SER 103 Ca 0.36 2.90 0.22 0.00 0.70 0.00 0.00 55.95 60.14 1wr8 s SER 103 Cb -0.06 -2.65 1.14 0.00 -1.71 0.00 0.00 66.02 62.73 1wr8 s SER 103 CO 0.24 -1.16 1.68 0.00 1.20 0.00 0.00 173.24 175.21 1wr8 n TYR 104 N -0.17 0.77 1.38 3.44 0.18 -1.26 -1.74 117.16 119.76 1wr8 n TYR 104 Ca 0.05 0.37 0.10 0.00 1.88 0.00 0.00 57.90 60.30 1wr8 n TYR 104 Cb 0.42 -1.10 0.40 0.00 -0.38 0.00 0.00 39.34 38.69 1wr8 n TYR 104 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1wr8 n THR 105 N -2.27 0.17 -0.20 -3.48 -2.24 -1.26 -4.39 114.28 100.60 1wr8 n THR 105 Ca -0.00 -0.28 0.16 0.00 -2.27 0.00 0.00 64.05 61.66 1wr8 n THR 105 Cb 0.09 0.24 0.49 0.00 -2.10 0.00 0.00 70.33 69.04 1wr8 n THR 105 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1wr8 h MET 106 N 1.75 0.44 -0.02 -0.78 2.86 -1.71 -0.80 114.93 116.67 1wr8 h MET 106 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1wr8 h MET 106 Cb 0.38 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1wr8 h MET 106 CO 0.00 0.29 0.02 -1.35 1.06 0.00 0.00 176.91 176.94 1wr8 h PRO 107 N 0.45 0.00 0.00 -0.22 0.11 -1.86 -2.28 132.00 128.20 1wr8 h PRO 107 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1wr8 h PRO 107 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1wr8 h PRO 107 CO -0.15 0.00 -0.47 -0.44 -0.21 0.00 0.00 178.00 176.73 1wr8 h ASP 108 N 0.00 0.00 -3.13 -2.05 3.32 -1.48 -3.47 116.42 109.61 1wr8 h ASP 108 Ca 0.01 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 56.43 1wr8 h ASP 108 Cb 0.06 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 1wr8 h ASP 108 CO -0.00 0.03 -0.31 -0.13 -1.72 0.00 0.00 179.24 177.11 1wr8 s ARG 109 N -3.23 3.61 0.00 3.56 0.52 -0.86 -4.80 118.95 117.75 1wr8 s ARG 109 Ca 0.05 -0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.15 1wr8 s ARG 109 Cb 0.10 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.73 1wr8 s ARG 109 CO 0.71 0.45 0.07 0.54 0.02 0.00 0.00 175.30 177.08 1wr8 n ARG 110 N -0.05 1.14 -1.82 3.54 1.74 -1.26 -4.89 116.66 115.06 1wr8 n ARG 110 Ca -0.03 -0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 56.97 1wr8 n ARG 110 Cb 0.52 -0.37 0.07 0.00 -1.02 0.00 0.00 32.46 31.66 1wr8 n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wr8 n ALA 111 N -0.18 3.18 0.00 7.54 0.00 -1.26 -3.34 120.51 126.45 1wr8 n ALA 111 Ca 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1wr8 n ALA 111 Cb 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1wr8 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr8 n GLY 112 N -0.37 2.99 3.69 0.00 0.00 -1.26 -4.75 105.19 105.49 1wr8 n GLY 112 Ca 0.16 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1wr8 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wr8 s LEU 113 N 0.00 4.20 -0.24 0.99 2.96 0.44 -4.90 118.68 122.13 1wr8 s LEU 113 Ca 0.00 0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1wr8 s LEU 113 Cb 0.00 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 1wr8 s LEU 113 CO 0.00 -0.05 0.02 -0.69 -1.32 0.00 0.00 176.35 174.32 1wr8 s VAL 114 N 1.05 3.91 -0.06 1.68 1.01 -1.26 -0.23 120.40 126.50 1wr8 s VAL 114 Ca 0.21 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1wr8 s VAL 114 Cb -0.15 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1wr8 s VAL 114 CO 0.08 0.38 -0.09 -0.63 0.00 0.00 0.00 175.10 174.84 1wr8 s ILE 115 N 1.54 3.51 -0.52 2.22 1.01 0.55 -0.69 121.20 128.83 1wr8 s ILE 115 Ca 0.06 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.87 1wr8 s ILE 115 Cb -0.15 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 1wr8 s ILE 115 CO 0.01 0.59 1.59 -0.04 0.00 0.00 0.00 174.94 177.08 1wr8 s MET 116 N -0.82 3.18 0.57 2.79 -1.94 -0.24 -1.05 119.30 121.78 1wr8 s MET 116 Ca 0.12 0.71 0.31 0.00 -1.71 0.00 0.00 55.69 55.13 1wr8 s MET 116 Cb -0.11 -4.19 1.68 0.00 2.01 0.00 0.00 34.83 34.22 1wr8 s MET 116 CO 0.01 -2.07 1.93 0.07 -0.01 0.00 0.00 175.02 174.95 1wr8 h ARG 117 N 12.26 0.00 0.00 2.03 0.11 -1.84 -0.07 114.38 126.87 1wr8 h ARG 117 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1wr8 h ARG 117 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1wr8 h ARG 117 CO 1.15 0.00 -0.12 0.39 0.10 0.00 0.00 179.97 181.49 1wr8 n GLU 118 N -2.73 0.09 -0.00 0.08 4.71 -1.26 -3.61 120.64 117.92 1wr8 n GLU 118 Ca -0.02 0.06 0.08 0.00 -0.01 0.00 0.00 57.16 57.27 1wr8 n GLU 118 Cb 0.22 -1.59 -0.10 0.00 -1.01 0.00 0.00 31.44 28.97 1wr8 n GLU 118 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1wr8 n THR 119 N -1.73 0.00 -3.63 2.62 -2.24 -0.04 -5.00 114.28 104.25 1wr8 n THR 119 Ca 0.06 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1wr8 n THR 119 Cb 0.37 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1wr8 n THR 119 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1wr8 s ILE 120 N -2.62 0.00 0.45 2.28 2.07 -1.22 -4.00 121.20 118.16 1wr8 s ILE 120 Ca 0.06 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.20 1wr8 s ILE 120 Cb 0.13 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.66 1wr8 s ILE 120 CO 0.69 0.00 0.81 0.20 -1.91 0.00 0.00 174.94 174.74 1wr8 s ASN 121 N -0.18 6.43 0.49 4.50 -0.87 -1.26 -4.46 114.94 119.59 1wr8 s ASN 121 Ca 0.03 1.14 0.20 0.00 -1.57 0.00 0.00 52.86 52.66 1wr8 s ASN 121 Cb -0.04 -2.33 1.22 0.00 -0.02 0.00 0.00 41.25 40.08 1wr8 s ASN 121 CO -0.07 -0.50 2.05 1.62 -2.57 0.00 0.00 177.10 177.63 1wr8 h VAL 122 N 0.72 0.91 -0.55 1.60 3.04 -1.98 -2.44 116.25 117.54 1wr8 h VAL 122 Ca -0.47 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1wr8 h VAL 122 Cb 1.19 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 31.73 1wr8 h VAL 122 CO 0.63 0.14 0.35 -0.33 -1.01 0.00 0.00 177.57 177.34 1wr8 h GLU 123 N 0.00 0.74 -0.54 4.17 3.07 -1.97 -0.40 114.58 119.66 1wr8 h GLU 123 Ca -0.00 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.73 1wr8 h GLU 123 Cb 0.28 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1wr8 h GLU 123 CO 0.02 0.52 0.04 1.15 -1.40 0.00 0.00 179.01 179.34 1wr8 h THR 124 N 0.75 1.25 -0.24 1.13 2.02 -1.84 -1.49 112.91 114.48 1wr8 h THR 124 Ca 0.20 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1wr8 h THR 124 Cb -0.04 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1wr8 h THR 124 CO -0.04 0.36 0.07 0.58 0.37 0.00 0.00 175.52 176.87 1wr8 h VAL 125 N 0.83 1.19 -0.39 3.16 2.07 -1.23 -2.62 116.25 119.25 1wr8 h VAL 125 Ca 0.16 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1wr8 h VAL 125 Cb 0.44 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1wr8 h VAL 125 CO 0.02 0.20 0.10 0.03 0.02 0.00 0.00 177.57 177.94 1wr8 h ARG 126 N 0.22 0.58 -0.45 1.57 3.08 -0.86 -1.37 114.38 117.15 1wr8 h ARG 126 Ca 0.08 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1wr8 h ARG 126 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1wr8 h ARG 126 CO -0.00 0.52 0.20 0.93 -1.07 0.00 0.00 179.97 180.55 1wr8 h GLU 127 N 0.57 0.65 -0.57 0.04 5.08 -1.06 -0.77 114.58 118.52 1wr8 h GLU 127 Ca 0.13 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1wr8 h GLU 127 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1wr8 h GLU 127 CO -0.00 0.57 -0.08 0.82 -1.00 0.00 0.00 179.01 179.32 1wr8 h ILE 128 N 0.58 1.27 -0.53 3.13 2.04 -1.10 0.55 117.51 123.44 1wr8 h ILE 128 Ca 0.15 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.81 1wr8 h ILE 128 Cb 0.15 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1wr8 h ILE 128 CO -0.02 0.44 0.28 0.40 0.00 0.00 0.00 178.15 179.26 1wr8 h ILE 129 N 0.94 0.97 -0.58 -0.67 2.04 -0.99 -0.40 117.51 118.83 1wr8 h ILE 129 Ca 0.15 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1wr8 h ILE 129 Cb 0.65 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1wr8 h ILE 129 CO 0.05 0.10 0.14 -1.13 0.00 0.00 0.00 178.15 177.31 1wr8 h ASN 130 N 0.55 0.87 0.06 1.72 -0.00 -0.75 0.25 115.58 118.28 1wr8 h ASN 130 Ca 0.23 -0.23 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1wr8 h ASN 130 Cb 0.12 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 38.21 1wr8 h ASN 130 CO -0.15 0.88 -0.03 -0.33 -0.00 0.00 0.00 177.43 177.79 1wr8 h GLU 131 N 0.83 -0.09 0.00 6.67 5.08 -0.14 -2.48 114.58 124.45 1wr8 h GLU 131 Ca 0.18 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1wr8 h GLU 131 Cb 0.34 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1wr8 h GLU 131 CO 0.00 -0.06 0.00 1.28 -1.00 0.00 0.00 179.01 179.23 1wr8 n LEU 132 N -2.31 0.00 -3.12 1.33 4.32 -0.23 -4.86 117.00 112.13 1wr8 n LEU 132 Ca -0.01 0.33 -0.03 0.00 -0.02 0.00 0.00 56.01 56.27 1wr8 n LEU 132 Cb 0.04 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1wr8 n LEU 132 CO 0.03 -0.31 0.27 -3.20 -1.22 0.00 0.00 177.39 172.95 1wr8 n ASN 133 N -1.33 -7.53 -4.54 -1.43 5.15 -0.51 -5.02 115.26 100.05 1wr8 n ASN 133 Ca 0.01 -0.11 -0.31 0.00 -0.60 0.00 0.00 54.58 53.57 1wr8 n ASN 133 Cb 0.01 -4.96 -0.11 0.00 -0.53 0.00 0.00 39.78 34.19 1wr8 n ASN 133 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wr8 s LEU 134 N -3.97 2.93 -1.39 1.20 1.43 -0.04 -5.03 118.68 113.81 1wr8 s LEU 134 Ca 0.02 -0.30 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 1wr8 s LEU 134 Cb -0.01 -1.71 0.09 0.00 0.03 0.00 0.00 46.19 44.59 1wr8 s LEU 134 CO 0.77 0.25 2.21 -3.20 0.23 0.00 0.00 176.35 176.61 1wr8 n ASN 135 N 1.39 5.63 -4.10 2.29 4.05 -1.26 -4.81 115.26 118.45 1wr8 n ASN 135 Ca -0.15 -2.96 -0.11 0.00 0.45 0.00 0.00 54.58 51.81 1wr8 n ASN 135 Cb 0.52 -1.53 -0.11 0.00 1.23 0.00 0.00 39.78 39.90 1wr8 n ASN 135 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1wr8 s LEU 136 N 0.34 2.39 0.02 1.20 1.43 -1.26 -4.38 118.68 118.42 1wr8 s LEU 136 Ca 0.48 -0.79 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1wr8 s LEU 136 Cb 0.13 -0.04 -0.02 0.00 0.03 0.00 0.00 46.19 46.29 1wr8 s LEU 136 CO -0.05 -0.38 -0.20 0.68 0.23 0.00 0.00 176.35 176.64 1wr8 s VAL 137 N -2.65 1.57 -0.19 -1.59 -7.23 -0.23 -4.92 120.40 105.15 1wr8 s VAL 137 Ca 0.00 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1wr8 s VAL 137 Cb -0.01 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.59 1wr8 s VAL 137 CO -0.03 0.27 -0.14 0.00 -0.31 0.00 0.00 175.10 174.89 1wr8 s ALA 138 N -0.68 2.53 -0.12 1.32 0.00 -1.26 -1.61 121.76 121.94 1wr8 s ALA 138 Ca 0.07 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.87 1wr8 s ALA 138 Cb -0.08 -1.38 -0.00 0.00 0.00 0.00 0.00 23.12 21.65 1wr8 s ALA 138 CO 0.01 -0.34 -0.19 0.08 0.00 0.00 0.00 175.76 175.32 1wr8 s VAL 139 N 1.31 2.49 -0.38 0.00 1.01 0.12 -4.95 120.40 120.00 1wr8 s VAL 139 Ca 0.04 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1wr8 s VAL 139 Cb -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1wr8 s VAL 139 CO -0.08 0.54 0.24 -0.62 0.00 0.00 0.00 175.10 175.18 1wr8 s ASP 140 N 0.44 5.90 0.00 3.32 -1.08 -1.26 -0.76 116.67 123.23 1wr8 s ASP 140 Ca -0.14 -0.85 0.30 0.00 -0.52 0.00 0.00 52.55 51.35 1wr8 s ASP 140 Cb -0.17 -2.09 1.44 0.00 -1.46 0.00 0.00 42.92 40.65 1wr8 s ASP 140 CO 0.06 -0.38 1.98 -1.54 0.52 0.00 0.00 175.17 175.81 1wr8 n SER 141 N 5.07 0.46 0.00 -0.34 3.41 -0.91 -4.86 113.62 116.46 1wr8 n SER 141 Ca -0.12 -0.84 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1wr8 n SER 141 Cb 0.47 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1wr8 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wr8 n GLY 142 N 1.17 1.02 0.00 5.00 0.00 -1.26 -4.79 105.19 106.34 1wr8 n GLY 142 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1wr8 n GLY 142 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wr8 n PHE 143 N -2.00 0.00 -3.57 1.61 3.01 -1.26 -5.10 117.46 110.15 1wr8 n PHE 143 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.40 1wr8 n PHE 143 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1wr8 n PHE 143 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wr8 s ALA 144 N -1.92 -1.86 -0.20 4.37 0.00 -1.26 -4.69 121.76 116.21 1wr8 s ALA 144 Ca 0.00 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 1wr8 s ALA 144 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1wr8 s ALA 144 CO 0.00 -0.77 0.05 0.42 0.00 0.00 0.00 175.76 175.47 1wr8 s ILE 145 N -3.00 4.56 -0.17 0.00 1.01 -0.22 -2.14 121.20 121.24 1wr8 s ILE 145 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1wr8 s ILE 145 Cb -0.01 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 1wr8 s ILE 145 CO -0.06 0.43 -0.06 -1.00 0.00 0.00 0.00 174.94 174.25 1wr8 s HIS 146 N 0.71 2.95 -0.20 3.97 3.76 0.06 -0.33 115.29 126.21 1wr8 s HIS 146 Ca 0.03 -0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 1wr8 s HIS 146 Cb -0.13 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.56 1wr8 s HIS 146 CO 0.02 -0.27 -0.06 0.08 -0.85 0.00 0.00 174.74 173.66 1wr8 s VAL 147 N 0.78 3.35 0.37 -0.90 1.01 0.68 -0.70 120.40 125.00 1wr8 s VAL 147 Ca -0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1wr8 s VAL 147 Cb -0.15 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.76 1wr8 s VAL 147 CO 0.02 0.45 0.61 2.29 0.00 0.00 0.00 175.10 178.46 1wr8 n LYS 148 N 4.42 0.87 -2.43 2.72 2.85 -0.63 -0.42 118.16 125.55 1wr8 n LYS 148 Ca -0.18 -2.62 -0.36 0.00 -1.05 0.00 0.00 58.31 54.10 1wr8 n LYS 148 Cb 0.51 2.76 -0.03 0.00 -0.65 0.00 0.00 35.03 37.62 1wr8 n LYS 148 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1wr8 s LYS 149 N -2.54 3.95 0.54 -1.58 -0.14 -1.26 -1.07 119.74 117.64 1wr8 s LYS 149 Ca 0.24 1.60 0.28 0.00 -1.36 0.00 0.00 55.97 56.73 1wr8 s LYS 149 Cb -0.02 -2.43 1.44 0.00 -1.68 0.00 0.00 37.83 35.13 1wr8 s LYS 149 CO 0.18 -0.34 1.96 -1.35 -0.76 0.00 0.00 175.35 175.03 1wr8 h PRO 150 N 2.20 0.00 -0.01 -1.68 0.11 -1.92 -2.12 132.00 128.59 1wr8 h PRO 150 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1wr8 h PRO 150 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wr8 h PRO 150 CO 0.61 0.00 -0.24 -2.67 -0.21 0.00 0.00 178.00 175.49 1wr8 n TRP 151 N -4.29 0.00 -3.20 0.65 2.14 -1.26 -4.85 117.44 106.63 1wr8 n TRP 151 Ca 0.12 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.30 1wr8 n TRP 151 Cb 0.72 -0.14 -0.07 0.00 -0.81 0.00 0.00 31.31 31.01 1wr8 n TRP 151 CO 0.00 0.00 0.00 0.42 2.07 0.00 0.00 177.69 180.18 1wr8 s ILE 152 N -2.53 5.07 0.16 -1.67 -1.09 -0.80 -4.81 121.20 115.55 1wr8 s ILE 152 Ca 0.24 1.02 -0.25 0.00 -2.23 0.00 0.00 60.65 59.44 1wr8 s ILE 152 Cb 0.19 -3.87 0.06 0.00 -1.58 0.00 0.00 42.46 37.26 1wr8 s ILE 152 CO 0.52 0.14 0.92 0.54 -1.23 0.00 0.00 174.94 175.84 1wr8 s ASN 153 N 1.21 -0.20 0.49 3.58 2.20 -1.20 -4.86 114.94 116.16 1wr8 s ASN 153 Ca 0.25 -0.42 0.16 0.00 -0.94 0.00 0.00 52.86 51.91 1wr8 s ASN 153 Cb -0.16 0.52 1.19 0.00 -2.00 0.00 0.00 41.25 40.80 1wr8 s ASN 153 CO 0.10 -0.95 2.09 0.11 -2.94 0.00 0.00 177.10 175.51 1wr8 h LYS 154 N 2.00 0.15 0.16 3.55 1.57 -1.73 -1.58 116.57 120.68 1wr8 h LYS 154 Ca -0.23 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1wr8 h LYS 154 Cb 1.23 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1wr8 h LYS 154 CO 0.25 0.10 -0.08 0.78 -0.57 0.00 0.00 179.45 179.93 1wr8 h GLY 155 N 0.15 -0.22 1.85 3.86 0.00 -1.88 -0.38 103.07 106.45 1wr8 h GLY 155 Ca 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 1wr8 h GLY 155 CO -0.01 -0.08 -0.18 1.48 0.00 0.00 0.00 176.54 177.75 1wr8 h SER 156 N -0.49 0.17 -0.33 0.19 4.64 -1.79 -1.18 113.55 114.77 1wr8 h SER 156 Ca -0.02 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 1wr8 h SER 156 Cb 0.38 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1wr8 h SER 156 CO 0.04 0.37 -0.06 1.23 -0.87 0.00 0.00 176.83 177.53 1wr8 h GLY 157 N 0.77 0.68 1.51 -0.77 0.00 -1.14 -2.35 103.07 101.77 1wr8 h GLY 157 Ca 0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1wr8 h GLY 157 CO 0.03 0.50 -0.16 -2.22 0.00 0.00 0.00 176.54 174.68 1wr8 h ILE 158 N 0.41 1.25 -0.63 2.60 2.04 -0.63 -0.10 117.51 122.44 1wr8 h ILE 158 Ca 0.09 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1wr8 h ILE 158 Cb 0.55 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1wr8 h ILE 158 CO 0.03 0.38 0.26 -0.33 0.00 0.00 0.00 178.15 178.49 1wr8 h GLU 159 N 0.53 0.94 -0.41 2.37 5.08 -1.08 0.11 114.58 122.13 1wr8 h GLU 159 Ca 0.09 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1wr8 h GLU 159 Cb 0.58 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1wr8 h GLU 159 CO 0.04 0.79 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.29 1wr8 h LYS 160 N 0.89 0.94 -0.54 2.33 1.63 -1.14 -2.79 116.57 117.89 1wr8 h LYS 160 Ca 0.21 -0.47 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 1wr8 h LYS 160 Cb 0.19 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.80 1wr8 h LYS 160 CO -0.02 1.13 0.20 0.00 -3.45 0.00 0.00 179.45 177.31 1wr8 h ALA 161 N 0.79 1.33 -0.35 5.00 0.00 -0.67 -1.92 119.26 123.44 1wr8 h ALA 161 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1wr8 h ALA 161 Cb 0.92 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1wr8 h ALA 161 CO 0.09 0.50 0.11 0.77 0.00 0.00 0.00 179.25 180.71 1wr8 h SER 162 N 0.78 0.45 -0.49 0.00 0.02 -0.55 -2.39 113.55 111.38 1wr8 h SER 162 Ca 0.18 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1wr8 h SER 162 Cb 0.19 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1wr8 h SER 162 CO -0.01 0.44 0.23 -0.33 -1.14 0.00 0.00 176.83 176.01 1wr8 h GLU 163 N 0.49 0.71 0.00 3.45 5.08 -1.09 -0.89 114.58 122.34 1wr8 h GLU 163 Ca 0.12 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1wr8 h GLU 163 Cb 0.15 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wr8 h GLU 163 CO -0.01 0.60 -0.20 0.74 -1.00 0.00 0.00 179.01 179.14 1wr8 h PHE 164 N 0.65 0.00 0.00 4.33 0.04 -1.32 -1.38 116.94 119.25 1wr8 h PHE 164 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1wr8 h PHE 164 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1wr8 h PHE 164 CO -0.01 0.20 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.63 1wr8 h LEU 165 N 0.00 0.00 -0.05 1.54 3.38 -1.17 -3.48 115.31 115.54 1wr8 h LEU 165 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1wr8 h LEU 165 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1wr8 h LEU 165 CO 0.03 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1wr8 n GLY 166 N 1.16 0.59 3.37 0.83 0.00 -0.44 -5.07 105.19 105.64 1wr8 n GLY 166 Ca 0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 1wr8 n GLY 166 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wr8 s ILE 167 N -2.05 1.09 0.27 -0.61 -4.36 -0.62 -5.04 121.20 109.89 1wr8 s ILE 167 Ca 0.00 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.17 1wr8 s ILE 167 Cb 0.00 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.11 1wr8 s ILE 167 CO 0.00 -0.20 0.77 -0.54 0.24 0.00 0.00 174.94 175.21 1wr8 s LYS 168 N -3.88 4.23 0.53 0.37 1.02 -1.26 -4.20 119.74 116.55 1wr8 s LYS 168 Ca 0.32 0.89 0.19 0.00 0.02 0.00 0.00 55.97 57.38 1wr8 s LYS 168 Cb 0.07 -2.71 1.36 0.00 -0.52 0.00 0.00 37.83 36.03 1wr8 s LYS 168 CO 0.11 0.29 2.16 -1.35 -0.92 0.00 0.00 175.35 175.65 1wr8 h PRO 169 N 2.99 0.00 0.00 -1.68 0.11 -1.88 0.81 132.00 132.35 1wr8 h PRO 169 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wr8 h PRO 169 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1wr8 h PRO 169 CO 0.65 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.07 1wr8 n LYS 170 N -4.42 0.39 -0.48 1.05 4.76 -1.25 -2.01 118.16 116.19 1wr8 n LYS 170 Ca -0.03 0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.58 1wr8 n LYS 170 Cb 0.11 -1.50 0.34 0.00 -1.84 0.00 0.00 35.03 32.14 1wr8 n LYS 170 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wr8 n GLU 171 N -1.24 3.17 -4.38 1.97 1.02 0.28 -3.16 120.64 118.30 1wr8 n GLU 171 Ca 0.12 -2.77 -0.33 0.00 -0.02 0.00 0.00 57.16 54.16 1wr8 n GLU 171 Cb 0.16 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 29.77 1wr8 n GLU 171 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wr8 s VAL 172 N -1.37 4.04 -0.16 2.62 1.01 -0.85 0.57 120.40 126.26 1wr8 s VAL 172 Ca 0.51 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1wr8 s VAL 172 Cb 0.29 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1wr8 s VAL 172 CO 0.30 0.45 -0.10 0.00 0.00 0.00 0.00 175.10 175.75 1wr8 s ALA 173 N -0.99 2.70 -0.10 5.51 0.00 -0.42 -0.88 121.76 127.57 1wr8 s ALA 173 Ca 0.17 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1wr8 s ALA 173 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1wr8 s ALA 173 CO 0.07 0.03 -0.02 -1.58 0.00 0.00 0.00 175.76 174.26 1wr8 s HIS 174 N 0.70 3.09 -0.20 0.00 2.46 -0.31 -0.22 115.29 120.81 1wr8 s HIS 174 Ca -0.05 0.06 -0.01 0.00 0.47 0.00 0.00 55.06 55.54 1wr8 s HIS 174 Cb -0.15 -1.81 0.01 0.00 -0.13 0.00 0.00 32.58 30.50 1wr8 s HIS 174 CO 0.02 0.34 -0.14 0.08 -2.47 0.00 0.00 174.74 172.57 1wr8 s VAL 175 N -0.59 2.53 0.27 0.89 1.01 -0.19 -0.68 120.40 123.64 1wr8 s VAL 175 Ca 0.10 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1wr8 s VAL 175 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1wr8 s VAL 175 CO 0.02 0.45 0.10 -0.83 0.00 0.00 0.00 175.10 174.84 1wr8 s GLY 176 N 1.34 1.82 0.00 4.51 0.00 -0.48 -2.04 107.32 112.47 1wr8 s GLY 176 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1wr8 s GLY 176 CO -0.09 -1.61 0.09 2.09 0.00 0.00 0.00 173.10 173.58 1wr8 n ASP 177 N -0.56 0.18 -4.39 1.64 3.85 -1.26 -1.96 116.55 114.04 1wr8 n ASP 177 Ca -0.00 -0.53 -0.27 0.00 -0.71 0.00 0.00 54.79 53.28 1wr8 n ASP 177 Cb 0.66 0.27 -0.09 0.00 -1.35 0.00 0.00 41.12 40.61 1wr8 n ASP 177 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1wr8 s GLY 178 N -0.27 2.62 0.21 6.12 0.00 -1.26 -4.20 107.32 110.54 1wr8 s GLY 178 Ca 0.00 -1.23 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 1wr8 s GLY 178 CO 0.00 -1.95 1.73 -2.09 0.00 0.00 0.00 173.10 170.79 1wr8 h GLU 179 N 1.72 1.11 0.00 2.90 4.81 -1.95 -2.34 114.58 120.83 1wr8 h GLU 179 Ca -0.39 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1wr8 h GLU 179 Cb 1.28 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1wr8 h GLU 179 CO 0.66 0.98 0.00 0.27 -0.73 0.00 0.00 179.01 180.19 1wr8 n ASN 180 N -4.23 0.00 0.00 1.04 0.23 -1.26 -1.41 115.26 109.63 1wr8 n ASN 180 Ca 0.05 0.04 0.12 0.00 -0.53 0.00 0.00 54.58 54.25 1wr8 n ASN 180 Cb 0.26 -0.26 0.57 0.00 -2.08 0.00 0.00 39.78 38.27 1wr8 n ASN 180 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1wr8 n ASP 181 N -1.26 0.00 0.09 0.53 9.92 -0.88 -2.35 116.55 122.60 1wr8 n ASP 181 Ca 0.07 0.16 0.01 0.00 -0.53 0.00 0.00 54.79 54.50 1wr8 n ASP 181 Cb 0.10 -0.37 0.34 0.00 -0.64 0.00 0.00 41.12 40.55 1wr8 n ASP 181 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wr8 h LEU 182 N 0.00 0.29 -1.03 0.64 -0.00 -1.41 -0.32 115.31 113.48 1wr8 h LEU 182 Ca 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 57.78 1wr8 h LEU 182 Cb 0.30 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 1wr8 h LEU 182 CO 0.00 0.46 0.26 0.44 -0.00 0.00 0.00 178.44 179.61 1wr8 h ASP 183 N 0.28 0.87 -0.11 -0.43 3.32 -1.69 -1.84 116.42 116.82 1wr8 h ASP 183 Ca 0.05 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.79 1wr8 h ASP 183 Cb 0.44 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1wr8 h ASP 183 CO 0.03 0.78 -0.68 0.00 -1.72 0.00 0.00 179.24 177.64 1wr8 h ALA 184 N 1.35 0.23 -0.90 3.45 0.00 -1.49 -3.16 119.26 118.73 1wr8 h ALA 184 Ca 0.22 -0.57 0.13 0.00 0.00 0.00 0.00 54.91 54.69 1wr8 h ALA 184 Cb 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1wr8 h ALA 184 CO -0.02 0.54 0.58 0.74 0.00 0.00 0.00 179.25 181.09 1wr8 h PHE 185 N 0.32 0.89 -0.40 0.00 -1.00 -0.76 -2.00 116.94 113.99 1wr8 h PHE 185 Ca -0.05 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1wr8 h PHE 185 Cb 1.33 -0.28 -0.02 0.00 3.61 0.00 0.00 35.95 40.58 1wr8 h PHE 185 CO 0.10 0.35 0.22 0.87 -1.61 0.00 0.00 178.31 178.24 1wr8 h LYS 186 N 0.77 0.54 0.00 1.51 1.57 -1.31 -3.20 116.57 116.47 1wr8 h LYS 186 Ca 0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1wr8 h LYS 186 Cb 0.62 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1wr8 h LYS 186 CO -0.21 0.40 -1.55 1.33 -0.57 0.00 0.00 179.45 178.85 1wr8 n VAL 187 N -4.43 0.05 -2.54 0.50 0.24 -0.79 -5.01 118.33 106.35 1wr8 n VAL 187 Ca 0.03 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.34 61.77 1wr8 n VAL 187 Cb 0.10 0.27 0.07 0.00 -1.47 0.00 0.00 33.84 32.81 1wr8 n VAL 187 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1wr8 s VAL 188 N -3.33 2.41 -0.08 3.34 -7.23 -0.98 -3.78 120.40 110.74 1wr8 s VAL 188 Ca -0.02 -0.57 0.15 0.00 -1.81 0.00 0.00 61.98 59.73 1wr8 s VAL 188 Cb 0.14 -2.84 -0.17 0.00 0.56 0.00 0.00 36.38 34.07 1wr8 s VAL 188 CO 0.88 0.00 0.80 1.23 -0.31 0.00 0.00 175.10 177.70 1wr8 h GLY 189 N -0.26 0.00 -5.27 2.32 0.00 -0.96 -3.45 103.07 95.44 1wr8 h GLY 189 Ca -0.40 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.63 1wr8 h GLY 189 CO 0.49 0.00 -0.74 -0.47 0.00 0.00 0.00 176.54 175.82 1wr8 s TYR 190 N -2.78 0.43 -0.11 5.60 5.04 -1.11 -5.02 117.35 119.40 1wr8 s TYR 190 Ca -0.03 -0.16 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 1wr8 s TYR 190 Cb 0.08 -0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.14 1wr8 s TYR 190 CO 0.81 -0.03 -0.14 0.15 -1.34 0.00 0.00 175.55 175.01 1wr8 s LYS 191 N -0.40 2.09 -0.03 4.97 1.02 -1.26 -1.17 119.74 124.96 1wr8 s LYS 191 Ca -0.01 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.52 1wr8 s LYS 191 Cb -0.03 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1wr8 s LYS 191 CO -0.00 -0.11 -0.18 0.08 -0.92 0.00 0.00 175.35 174.22 1wr8 s VAL 192 N 1.13 1.43 -0.02 3.17 1.01 0.15 0.26 120.40 127.52 1wr8 s VAL 192 Ca -0.04 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1wr8 s VAL 192 Cb -0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1wr8 s VAL 192 CO -0.03 0.41 -0.24 0.00 0.00 0.00 0.00 175.10 175.24 1wr8 s ALA 193 N -0.22 2.00 0.64 5.51 0.00 -0.68 -1.38 121.76 127.62 1wr8 s ALA 193 Ca 0.02 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 1wr8 s ALA 193 Cb -0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 1wr8 s ALA 193 CO 0.01 0.47 1.04 0.14 0.00 0.00 0.00 175.76 177.42 1wr8 s VAL 194 N -0.48 4.45 0.38 0.00 -7.23 -0.83 -1.74 120.40 114.95 1wr8 s VAL 194 Ca 0.07 0.80 0.15 0.00 -1.81 0.00 0.00 61.98 61.19 1wr8 s VAL 194 Cb -0.10 -3.77 0.36 0.00 0.56 0.00 0.00 36.38 33.43 1wr8 s VAL 194 CO -0.00 -1.04 1.78 0.00 -0.31 0.00 0.00 175.10 175.53 1wr8 h ALA 195 N -0.40 2.07 -0.22 1.32 0.00 -1.53 -1.68 119.26 118.82 1wr8 h ALA 195 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wr8 h ALA 195 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wr8 h ALA 195 CO 0.62 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1wr8 n GLN 196 N -4.65 1.59 -1.78 0.00 0.00 -1.26 -4.91 117.38 106.36 1wr8 n GLN 196 Ca 0.24 -0.91 -0.33 0.00 0.00 0.00 0.00 57.00 55.99 1wr8 n GLN 196 Cb 0.77 -1.25 0.05 0.00 0.00 0.00 0.00 30.24 29.80 1wr8 n GLN 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wr8 s ALA 197 N -1.70 2.46 0.68 2.61 0.00 -0.63 -4.99 121.76 120.19 1wr8 s ALA 197 Ca 0.22 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.63 1wr8 s ALA 197 Cb 0.11 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1wr8 s ALA 197 CO 0.16 -1.27 1.22 -2.14 0.00 0.00 0.00 175.76 173.72 1wr8 s PRO 198 N -3.98 2.42 0.25 0.00 0.02 -1.26 -4.79 135.00 127.66 1wr8 s PRO 198 Ca 0.68 1.82 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 1wr8 s PRO 198 Cb -0.22 -1.86 0.49 0.00 0.02 0.00 0.00 34.50 32.93 1wr8 s PRO 198 CO 0.40 -1.64 1.76 -0.22 -0.33 0.00 0.00 177.00 176.97 1wr8 h LYS 199 N 0.13 0.55 -0.76 5.54 1.63 -1.98 -1.26 116.57 120.42 1wr8 h LYS 199 Ca -0.49 -0.03 0.08 0.00 -0.85 0.00 0.00 60.65 59.36 1wr8 h LYS 199 Cb 1.30 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 32.76 1wr8 h LYS 199 CO 0.52 0.37 0.50 0.97 -3.45 0.00 0.00 179.45 178.35 1wr8 h ILE 200 N 0.57 0.97 0.02 2.00 2.10 -2.00 0.37 117.51 121.55 1wr8 h ILE 200 Ca 0.44 -0.25 -0.18 0.00 1.08 0.00 0.00 64.86 65.95 1wr8 h ILE 200 Cb 0.61 0.19 0.02 0.00 -1.09 0.00 0.00 36.82 36.55 1wr8 h ILE 200 CO -0.36 0.13 -0.72 0.25 -1.08 0.00 0.00 178.15 176.37 1wr8 h LEU 201 N 0.72 0.59 -0.78 2.19 5.85 -1.59 -3.22 115.31 119.09 1wr8 h LEU 201 Ca 0.34 -0.78 0.04 0.00 0.84 0.00 0.00 57.88 58.32 1wr8 h LEU 201 Cb 0.38 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1wr8 h LEU 201 CO -0.12 1.30 0.49 0.11 -0.34 0.00 0.00 178.44 179.88 1wr8 h LYS 202 N -0.05 0.91 -0.12 1.25 1.57 -0.73 -1.60 116.57 117.80 1wr8 h LYS 202 Ca -0.10 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1wr8 h LYS 202 Cb 1.43 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 1wr8 h LYS 202 CO 0.14 0.60 0.08 0.93 -0.57 0.00 0.00 179.45 180.63 1wr8 h GLU 203 N 0.93 0.11 -0.02 3.15 5.08 -1.02 -2.11 114.58 120.71 1wr8 h GLU 203 Ca 0.32 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1wr8 h GLU 203 Cb 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1wr8 h GLU 203 CO -0.13 0.07 -0.19 0.09 -1.00 0.00 0.00 179.01 177.85 1wr8 n ASN 204 N -4.52 1.78 -4.88 1.42 3.02 -0.68 -4.95 115.26 106.45 1wr8 n ASN 204 Ca -0.01 -1.42 -0.30 0.00 -0.03 0.00 0.00 54.58 52.82 1wr8 n ASN 204 Cb 0.12 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 1wr8 n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wr8 s ALA 205 N -2.27 3.39 -0.32 5.41 0.00 -0.76 -4.91 121.76 122.30 1wr8 s ALA 205 Ca 0.27 -0.25 0.22 0.00 0.00 0.00 0.00 51.96 52.20 1wr8 s ALA 205 Cb 0.20 -2.65 0.16 0.00 0.00 0.00 0.00 23.12 20.82 1wr8 s ALA 205 CO 0.44 0.03 1.33 -0.44 0.00 0.00 0.00 175.76 177.12 1wr8 h ASP 206 N 1.32 0.00 -3.85 0.00 3.32 -0.50 -3.46 116.42 113.26 1wr8 h ASP 206 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1wr8 h ASP 206 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.51 1wr8 h ASP 206 CO 0.64 0.09 -0.04 -0.47 -1.72 0.00 0.00 179.24 177.74 1wr8 s TYR 207 N -3.22 -0.67 -0.17 4.55 5.04 -1.07 -5.03 117.35 116.78 1wr8 s TYR 207 Ca 0.03 1.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.26 1wr8 s TYR 207 Cb 0.07 0.25 0.01 0.00 0.35 0.00 0.00 41.96 42.65 1wr8 s TYR 207 CO 0.73 -0.33 -0.20 0.08 -1.34 0.00 0.00 175.55 174.50 1wr8 s VAL 208 N 0.46 2.16 0.80 3.14 1.01 -1.26 -1.69 120.40 125.01 1wr8 s VAL 208 Ca -0.01 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1wr8 s VAL 208 Cb -0.04 -1.90 0.07 0.00 0.00 0.00 0.00 36.38 34.51 1wr8 s VAL 208 CO -0.01 0.54 1.11 0.42 0.00 0.00 0.00 175.10 177.15 1wr8 s THR 209 N 1.13 2.96 0.10 3.92 -4.23 -0.71 -4.94 115.64 113.88 1wr8 s THR 209 Ca 0.01 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.73 1wr8 s THR 209 Cb -0.14 -2.71 -0.19 0.00 1.34 0.00 0.00 72.50 70.80 1wr8 s THR 209 CO -0.09 -0.39 1.26 0.11 -0.54 0.00 0.00 174.62 174.97 1wr8 h LYS 210 N -1.18 0.70 -6.37 3.99 1.57 -1.94 -3.31 116.57 110.04 1wr8 h LYS 210 Ca -0.44 -0.67 -0.50 0.00 -1.87 0.00 0.00 60.65 57.18 1wr8 h LYS 210 Cb 1.24 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1wr8 h LYS 210 CO 0.49 1.26 -0.27 0.15 -0.57 0.00 0.00 179.45 180.51 1wr8 s LYS 211 N -3.51 3.50 0.40 3.15 -0.14 -1.26 -4.76 119.74 117.12 1wr8 s LYS 211 Ca -0.09 -0.38 0.08 0.00 -1.36 0.00 0.00 55.97 54.21 1wr8 s LYS 211 Cb 0.08 -2.76 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1wr8 s LYS 211 CO 0.91 0.28 0.36 -1.83 -0.76 0.00 0.00 175.35 174.31 1wr8 s GLU 212 N -3.87 2.58 3.29 1.68 -1.05 -1.26 -2.19 118.70 117.88 1wr8 s GLU 212 Ca 0.39 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 1wr8 s GLU 212 Cb -0.10 -2.41 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 1wr8 s GLU 212 CO 0.32 -0.12 0.00 0.66 0.95 0.00 0.00 175.26 177.07 1wr8 n TYR 213 N -1.51 0.00 -0.28 4.83 4.01 -1.25 -2.78 117.16 120.18 1wr8 n TYR 213 Ca 0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 1wr8 n TYR 213 Cb 0.61 0.06 0.25 0.00 -0.31 0.00 0.00 39.34 39.96 1wr8 n TYR 213 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1wr8 h GLY 214 N 0.00 1.26 1.63 2.72 0.00 -1.01 0.19 103.07 107.85 1wr8 h GLY 214 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1wr8 h GLY 214 CO 0.00 -0.28 -0.04 0.83 0.00 0.00 0.00 176.54 177.05 1wr8 h GLU 215 N 0.27 0.47 -0.41 4.80 5.08 -1.84 -1.73 114.58 121.22 1wr8 h GLU 215 Ca 0.50 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.68 1wr8 h GLU 215 Cb 0.94 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1wr8 h GLU 215 CO -0.58 0.53 -0.03 0.78 -1.00 0.00 0.00 179.01 178.71 1wr8 h GLY 216 N 0.82 0.80 1.01 -3.84 0.00 -0.52 -0.85 103.07 100.50 1wr8 h GLY 216 Ca 0.09 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1wr8 h GLY 216 CO 0.01 0.56 0.59 -1.33 0.00 0.00 0.00 176.54 176.38 1wr8 h GLY 217 N 0.56 1.28 0.93 4.60 0.00 -0.60 0.12 103.07 109.97 1wr8 h GLY 217 Ca 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1wr8 h GLY 217 CO 0.03 0.48 0.11 0.00 0.00 0.00 0.00 176.54 177.16 1wr8 h ALA 218 N 1.33 0.52 -0.82 3.60 0.00 -1.14 -1.77 119.26 120.97 1wr8 h ALA 218 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wr8 h ALA 218 Cb -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1wr8 h ALA 218 CO -0.07 0.18 0.52 1.49 0.00 0.00 0.00 179.25 181.37 1wr8 h GLU 219 N 0.50 1.10 -0.60 0.00 4.81 -0.60 -1.51 114.58 118.27 1wr8 h GLU 219 Ca 0.13 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1wr8 h GLU 219 Cb 0.28 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1wr8 h GLU 219 CO -0.00 0.75 0.34 0.00 -0.73 0.00 0.00 179.01 179.37 1wr8 h ALA 220 N 1.29 0.76 -0.44 2.92 0.00 -0.51 0.17 119.26 123.45 1wr8 h ALA 220 Ca 0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1wr8 h ALA 220 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1wr8 h ALA 220 CO -0.06 0.27 0.11 0.82 0.00 0.00 0.00 179.25 180.39 1wr8 h ILE 221 N 0.81 1.23 -0.76 0.00 2.04 -0.91 -1.68 117.51 118.24 1wr8 h ILE 221 Ca 0.21 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1wr8 h ILE 221 Cb 0.02 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 1wr8 h ILE 221 CO -0.04 0.28 0.28 1.88 0.00 0.00 0.00 178.15 180.56 1wr8 h TYR 222 N 0.57 1.18 -0.34 1.37 0.05 -0.99 -0.75 116.97 118.05 1wr8 h TYR 222 Ca 0.14 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.84 1wr8 h TYR 222 Cb 0.31 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1wr8 h TYR 222 CO 0.02 0.91 0.18 1.25 -1.05 0.00 0.00 178.16 179.46 1wr8 h HIS 223 N 1.11 0.33 -0.24 4.88 2.76 -0.73 -0.46 115.15 122.79 1wr8 h HIS 223 Ca 0.25 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1wr8 h HIS 223 Cb 0.25 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1wr8 h HIS 223 CO 0.02 0.18 0.07 0.82 -1.30 0.00 0.00 177.93 177.72 1wr8 h ILE 224 N 0.37 1.20 -0.87 6.26 2.04 -0.99 -0.12 117.51 125.40 1wr8 h ILE 224 Ca 0.14 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1wr8 h ILE 224 Cb 0.04 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1wr8 h ILE 224 CO -0.09 0.21 0.52 -0.07 0.00 0.00 0.00 178.15 178.72 1wr8 h LEU 225 N 0.22 1.05 -0.15 1.44 3.38 -0.95 -2.13 115.31 118.18 1wr8 h LEU 225 Ca 0.08 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1wr8 h LEU 225 Cb 0.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wr8 h LEU 225 CO -0.00 0.81 -0.44 -0.33 0.09 0.00 0.00 178.44 178.56 1wr8 h GLU 226 N 1.20 0.56 -0.14 1.13 5.08 -0.97 0.25 114.58 121.69 1wr8 h GLU 226 Ca 0.31 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1wr8 h GLU 226 Cb -0.05 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wr8 h GLU 226 CO -0.06 1.03 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.54 1wr8 h LYS 227 N 0.19 0.23 -0.73 2.33 3.64 -0.91 -3.00 116.57 118.33 1wr8 h LYS 227 Ca -0.01 -0.07 -0.32 0.00 -1.27 0.00 0.00 60.65 58.97 1wr8 h LYS 227 Cb 1.06 -0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 32.67 1wr8 h LYS 227 CO 0.09 0.45 0.33 1.19 -2.27 0.00 0.00 179.45 179.25 1wr8 n PHE 228 N -4.20 2.30 -2.05 1.91 3.72 -0.81 -4.96 117.46 113.38 1wr8 n PHE 228 Ca -0.01 -1.55 -0.20 0.00 -0.05 0.00 0.00 57.45 55.64 1wr8 n PHE 228 Cb 0.33 -0.73 -0.04 0.00 -0.94 0.00 0.00 39.48 38.10 1wr8 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wr8 n GLY 229 N -0.83 0.50 0.08 1.37 0.00 -1.13 -4.89 105.19 100.28 1wr8 n GLY 229 Ca 0.46 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.52 1wr8 n GLY 229 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wr8 n TYR 230 N -3.38 0.62 -1.05 1.61 4.02 0.83 -5.03 117.16 114.78 1wr8 n TYR 230 Ca -0.22 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1wr8 n TYR 230 Cb 0.66 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 1wr8 n TYR 230 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74