#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr8 s ILE 3 N 0.00 4.71 -0.09 3.15 -1.09 -1.26 -4.59 121.20 122.03 1wr8 s ILE 3 Ca 0.00 1.96 0.07 0.00 -2.23 0.00 0.00 60.65 60.45 1wr8 s ILE 3 Cb 0.00 -4.26 -0.11 0.00 -1.58 0.00 0.00 42.46 36.52 1wr8 s ILE 3 CO 0.00 0.08 0.20 0.29 -1.23 0.00 0.00 174.94 174.28 1wr8 n LYS 4 N 4.45 1.23 -3.80 2.79 5.02 0.99 -5.02 118.16 123.82 1wr8 n LYS 4 Ca 0.08 -0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 1wr8 n LYS 4 Cb 0.49 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.34 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 -2.33 -0.42 -0.11 7.82 0.00 -1.08 -3.92 121.76 121.71 1wr8 s ALA 5 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1wr8 s ALA 5 Cb 0.05 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1wr8 s ALA 5 CO 0.31 -0.52 -0.15 0.42 0.00 0.00 0.00 175.76 175.81 1wr8 s ILE 6 N -3.68 1.53 -0.07 0.00 1.01 -0.63 -1.49 121.20 117.88 1wr8 s ILE 6 Ca 0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 1wr8 s ILE 6 Cb 0.03 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1wr8 s ILE 6 CO -0.10 0.45 0.15 -0.94 0.00 0.00 0.00 174.94 174.50 1wr8 s SER 7 N 1.04 6.33 -0.19 3.58 1.04 0.68 -0.12 113.70 126.07 1wr8 s SER 7 Ca -0.05 0.40 -0.16 0.00 0.48 0.00 0.00 55.95 56.61 1wr8 s SER 7 Cb -0.15 -2.01 0.05 0.00 0.10 0.00 0.00 66.02 64.01 1wr8 s SER 7 CO -0.03 0.34 0.49 -0.51 0.98 0.00 0.00 173.24 174.52 1wr8 s ILE 8 N -1.16 -0.00 0.79 -1.02 2.07 -0.22 -1.03 121.20 120.63 1wr8 s ILE 8 Ca 0.21 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.35 1wr8 s ILE 8 Cb -0.12 -0.70 0.07 0.00 0.13 0.00 0.00 42.46 41.84 1wr8 s ILE 8 CO 0.11 0.00 1.09 -1.81 -1.91 0.00 0.00 174.94 172.43 1wr8 s ASP 9 N 0.41 4.32 0.00 4.50 1.01 -1.03 -0.65 116.67 125.24 1wr8 s ASP 9 Ca -0.01 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.05 1wr8 s ASP 9 Cb -0.04 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1wr8 s ASP 9 CO -0.01 -2.15 0.00 -0.38 0.21 0.00 0.00 175.17 172.84 1wr8 n ILE 10 N -3.59 0.00 -1.88 0.77 5.41 -0.83 -4.06 119.36 115.18 1wr8 n ILE 10 Ca 0.09 0.37 -0.41 0.00 1.00 0.00 0.00 62.75 63.80 1wr8 n ILE 10 Cb 0.53 -1.23 -0.00 0.00 -0.71 0.00 0.00 39.64 38.23 1wr8 n ILE 10 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1wr8 s ASP 11 N -2.82 6.38 0.00 4.38 1.01 -1.26 -1.51 116.67 122.84 1wr8 s ASP 11 Ca 0.00 2.95 0.00 0.00 0.71 0.00 0.00 52.55 56.21 1wr8 s ASP 11 Cb 0.00 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1wr8 s ASP 11 CO 0.00 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.15 1wr8 n GLY 12 N 0.55 1.50 0.00 0.21 0.00 -1.26 -4.68 105.19 101.51 1wr8 n GLY 12 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.53 2.61 -1.04 -1.04 -3.75 114.28 108.52 1wr8 n THR 13 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 1wr8 n THR 13 Cb 0.00 -0.54 0.03 0.00 -1.82 0.00 0.00 70.33 68.00 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 -2.30 1.00 -4.53 12.58 -5.35 -0.57 -2.81 119.36 117.38 1wr8 n ILE 14 Ca 0.00 -1.09 -0.25 0.00 -0.27 0.00 0.00 62.75 61.14 1wr8 n ILE 14 Cb 0.45 0.40 -0.09 0.00 -1.74 0.00 0.00 39.64 38.66 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 -1.24 0.95 0.65 7.28 -4.23 -1.23 -1.49 115.64 116.33 1wr8 s THR 15 Ca 0.08 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.55 1wr8 s THR 15 Cb 0.07 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.44 1wr8 s THR 15 CO 0.01 0.00 0.92 -0.31 -0.54 0.00 0.00 174.62 174.70 1wr8 s TYR 16 N -3.18 2.76 0.58 3.99 1.51 -0.27 -1.38 117.35 121.36 1wr8 s TYR 16 Ca 0.27 0.20 0.28 0.00 -1.01 0.00 0.00 57.07 56.81 1wr8 s TYR 16 Cb 0.05 -3.02 1.67 0.00 -0.11 0.00 0.00 41.96 40.55 1wr8 s TYR 16 CO 0.14 -1.24 2.14 -1.35 -1.11 0.00 0.00 175.55 174.12 1wr8 h PRO 17 N -0.34 0.00 -0.28 -1.71 0.11 -1.98 -1.12 132.00 126.68 1wr8 h PRO 17 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wr8 h PRO 17 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wr8 h PRO 17 CO 0.55 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 1wr8 n ASN 18 N -3.87 1.27 0.00 -2.05 0.23 -1.26 -4.90 115.26 104.67 1wr8 n ASN 18 Ca 0.00 -2.03 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 1wr8 n ASN 18 Cb 0.26 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1wr8 n ASN 18 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wr8 n ARG 19 N 0.13 0.00 -2.44 -3.83 1.74 -0.42 -5.03 116.66 106.81 1wr8 n ARG 19 Ca 0.07 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 1wr8 n ARG 19 Cb 0.22 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.46 29.21 1wr8 n ARG 19 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1wr8 s MET 20 N -0.04 3.85 0.29 5.56 -1.94 -1.26 -4.74 119.30 121.02 1wr8 s MET 20 Ca 0.00 1.54 -0.29 0.00 -1.71 0.00 0.00 55.69 55.22 1wr8 s MET 20 Cb 0.00 -2.30 -0.10 0.00 2.01 0.00 0.00 34.83 34.44 1wr8 s MET 20 CO 0.00 -0.42 1.34 -1.50 -0.01 0.00 0.00 175.02 174.44 1wr8 s ILE 21 N -1.75 2.78 -0.24 2.53 1.10 -1.26 -1.12 121.20 123.24 1wr8 s ILE 21 Ca 0.64 0.72 -0.19 0.00 -0.51 0.00 0.00 60.65 61.32 1wr8 s ILE 21 Cb -0.22 -3.46 -0.03 0.00 0.15 0.00 0.00 42.46 38.90 1wr8 s ILE 21 CO 0.27 0.15 0.54 -2.28 -2.11 0.00 0.00 174.94 171.50 1wr8 s HIS 22 N -0.64 3.31 0.39 3.50 5.65 -0.55 -4.79 115.29 122.16 1wr8 s HIS 22 Ca 0.53 0.72 0.12 0.00 0.25 0.00 0.00 55.06 56.68 1wr8 s HIS 22 Cb -0.40 -2.72 0.92 0.00 -1.18 0.00 0.00 32.58 29.21 1wr8 s HIS 22 CO 0.48 -0.22 1.90 0.93 -0.65 0.00 0.00 174.74 177.18 1wr8 h GLU 23 N 7.78 0.55 -0.45 2.88 5.08 -1.93 -0.34 114.58 128.14 1wr8 h GLU 23 Ca -0.30 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 1wr8 h GLU 23 Cb 1.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1wr8 h GLU 23 CO 0.73 0.36 -0.22 0.87 -1.00 0.00 0.00 179.01 179.76 1wr8 h LYS 24 N 0.56 0.94 -0.46 2.33 1.79 -1.94 -0.95 116.57 118.85 1wr8 h LYS 24 Ca 0.40 -0.41 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1wr8 h LYS 24 Cb 0.75 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1wr8 h LYS 24 CO -0.16 1.07 -0.15 0.00 -1.08 0.00 0.00 179.45 179.13 1wr8 h ALA 25 N 0.84 0.87 -0.26 3.86 0.00 -1.48 -1.40 119.26 121.68 1wr8 h ALA 25 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1wr8 h ALA 25 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1wr8 h ALA 25 CO 0.07 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.34 1wr8 h LEU 26 N 0.77 0.20 -0.63 0.00 5.85 -0.89 0.51 115.31 121.12 1wr8 h LEU 26 Ca 0.12 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1wr8 h LEU 26 Cb 0.68 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1wr8 h LEU 26 CO 0.05 0.15 0.25 -0.08 -0.34 0.00 0.00 178.44 178.48 1wr8 h GLU 27 N 0.28 0.95 -0.48 1.25 4.22 -0.98 -1.72 114.58 118.10 1wr8 h GLU 27 Ca 0.11 -0.17 -0.05 0.00 0.08 0.00 0.00 59.36 59.33 1wr8 h GLU 27 Cb 0.03 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1wr8 h GLU 27 CO -0.07 0.80 0.11 0.00 -2.18 0.00 0.00 179.01 177.66 1wr8 h ALA 28 N 1.10 0.63 -0.49 2.92 0.00 -0.88 -0.57 119.26 121.97 1wr8 h ALA 28 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wr8 h ALA 28 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1wr8 h ALA 28 CO -0.02 0.32 0.27 0.82 0.00 0.00 0.00 179.25 180.65 1wr8 h ILE 29 N 0.65 1.17 -0.16 0.00 2.04 -0.73 -0.69 117.51 119.78 1wr8 h ILE 29 Ca 0.15 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 1wr8 h ILE 29 Cb 0.34 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1wr8 h ILE 29 CO 0.00 0.18 -0.24 0.03 0.00 0.00 0.00 178.15 178.12 1wr8 h ARG 30 N 0.65 0.28 -0.24 2.37 3.08 -1.10 -1.20 114.38 118.22 1wr8 h ARG 30 Ca 0.17 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1wr8 h ARG 30 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1wr8 h ARG 30 CO -0.03 0.51 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.20 1wr8 h ARG 31 N 0.26 0.48 -0.38 0.04 9.65 -0.65 -0.55 114.38 123.23 1wr8 h ARG 31 Ca 0.04 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.75 1wr8 h ARG 31 Cb 0.57 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.09 1wr8 h ARG 31 CO 0.04 0.74 0.17 0.00 2.80 0.00 0.00 179.97 183.72 1wr8 h ALA 32 N 0.73 0.46 -0.75 2.80 0.00 -0.83 -0.48 119.26 121.19 1wr8 h ALA 32 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wr8 h ALA 32 Cb 0.58 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1wr8 h ALA 32 CO 0.03 -0.20 0.48 0.93 0.00 0.00 0.00 179.25 180.48 1wr8 h GLU 33 N 0.36 1.01 -0.35 0.00 4.39 -1.09 -1.06 114.58 117.83 1wr8 h GLU 33 Ca 0.17 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1wr8 h GLU 33 Cb 0.10 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1wr8 h GLU 33 CO -0.13 0.69 0.07 0.77 -1.16 0.00 0.00 179.01 179.25 1wr8 h SER 34 N 1.03 0.47 0.24 1.42 0.02 -0.45 -1.35 113.55 114.92 1wr8 h SER 34 Ca 0.27 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1wr8 h SER 34 Cb -0.08 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1wr8 h SER 34 CO -0.06 0.49 0.00 0.18 -1.14 0.00 0.00 176.83 176.31 1wr8 n LEU 35 N -4.33 0.00 0.00 5.07 4.77 -0.25 -4.89 117.00 117.37 1wr8 n LEU 35 Ca 0.02 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1wr8 n LEU 35 Cb 0.19 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1wr8 n LEU 35 CO 0.38 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1wr8 n GLY 36 N 0.92 0.85 3.25 -0.72 0.00 -0.51 -5.06 105.19 103.93 1wr8 n GLY 36 Ca 0.18 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 3.88 0.42 -0.61 1.09 -0.46 -5.00 121.20 118.52 1wr8 s ILE 37 Ca 0.00 -1.32 -0.26 0.00 -1.10 0.00 0.00 60.65 57.96 1wr8 s ILE 37 Cb 0.00 -3.30 -0.09 0.00 -1.06 0.00 0.00 42.46 38.01 1wr8 s ILE 37 CO 0.00 -0.35 1.41 -2.84 -0.10 0.00 0.00 174.94 173.06 1wr8 s PRO 38 N 1.38 3.86 -0.17 2.79 0.02 -1.25 -3.41 135.00 138.23 1wr8 s PRO 38 Ca 0.01 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.37 1wr8 s PRO 38 Cb -0.21 -2.76 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 1wr8 s PRO 38 CO 0.02 -0.66 -0.01 0.42 -0.33 0.00 0.00 177.00 176.44 1wr8 s ILE 39 N -1.19 4.15 -0.35 2.83 -1.09 -1.26 -1.60 121.20 122.68 1wr8 s ILE 39 Ca 0.58 -0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.66 1wr8 s ILE 39 Cb -0.43 -2.84 0.05 0.00 -1.58 0.00 0.00 42.46 37.66 1wr8 s ILE 39 CO 0.56 0.48 0.14 -0.04 -1.23 0.00 0.00 174.94 174.84 1wr8 s MET 40 N 0.43 2.61 0.24 2.79 -1.94 0.83 -2.23 119.30 122.02 1wr8 s MET 40 Ca -0.02 -1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 52.43 1wr8 s MET 40 Cb -0.14 -3.52 -0.09 0.00 2.01 0.00 0.00 34.83 33.09 1wr8 s MET 40 CO 0.02 -0.72 1.12 -0.51 -0.01 0.00 0.00 175.02 174.92 1wr8 s LEU 41 N 1.40 4.52 -0.05 -0.03 1.43 -1.24 -1.06 118.68 123.65 1wr8 s LEU 41 Ca -0.00 2.24 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 1wr8 s LEU 41 Cb -0.20 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 1wr8 s LEU 41 CO 0.03 -0.21 -0.18 -0.69 0.23 0.00 0.00 176.35 175.52 1wr8 s VAL 42 N -0.77 1.53 0.13 -1.59 1.01 0.18 -0.56 120.40 120.33 1wr8 s VAL 42 Ca 0.47 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 1wr8 s VAL 42 Cb -0.32 -1.31 0.07 0.00 0.00 0.00 0.00 36.38 34.82 1wr8 s VAL 42 CO 0.39 0.44 0.63 0.28 0.00 0.00 0.00 175.10 176.84 1wr8 s THR 43 N 0.09 0.00 -1.34 3.92 -1.32 0.39 -1.97 115.64 115.41 1wr8 s THR 43 Ca -0.06 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.67 1wr8 s THR 43 Cb -0.13 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.96 1wr8 s THR 43 CO 0.03 0.00 1.42 0.61 -2.21 0.00 0.00 174.62 174.47 1wr8 n GLY 44 N -0.25 -0.93 3.31 6.08 0.00 -1.26 -1.52 105.19 110.62 1wr8 n GLY 44 Ca -0.17 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1wr8 n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wr8 n ASN 45 N -1.10 -1.42 -4.75 1.61 2.85 -1.26 -4.02 115.26 107.16 1wr8 n ASN 45 Ca 0.08 -1.21 -0.31 0.00 -0.11 0.00 0.00 54.58 53.04 1wr8 n ASN 45 Cb 0.35 -0.93 0.11 0.00 1.24 0.00 0.00 39.78 40.55 1wr8 n ASN 45 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wr8 s THR 46 N -3.06 3.09 0.36 -0.44 -4.23 -1.26 -0.96 115.64 109.14 1wr8 s THR 46 Ca 0.66 0.35 0.13 0.00 -1.18 0.00 0.00 61.69 61.65 1wr8 s THR 46 Cb -0.05 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.09 1wr8 s THR 46 CO 0.50 -0.46 1.81 1.62 -0.54 0.00 0.00 174.62 177.55 1wr8 h VAL 47 N -1.28 1.26 -0.50 2.29 3.04 -1.92 -1.46 116.25 117.68 1wr8 h VAL 47 Ca -0.44 -1.33 -0.12 0.00 -1.01 0.00 0.00 66.70 63.80 1wr8 h VAL 47 Cb 1.24 1.72 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1wr8 h VAL 47 CO 0.51 0.38 -0.16 1.56 -1.01 0.00 0.00 177.57 178.84 1wr8 h GLN 48 N 0.00 0.98 -0.36 4.17 7.50 -1.91 -0.02 115.11 125.46 1wr8 h GLN 48 Ca -0.00 -0.38 -0.06 0.00 0.50 0.00 0.00 58.65 58.70 1wr8 h GLN 48 Cb 0.69 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 1wr8 h GLN 48 CO 0.05 1.06 -0.00 0.35 -1.50 0.00 0.00 178.83 178.78 1wr8 h PHE 49 N 0.86 0.70 -0.57 2.96 3.04 -1.82 -1.28 116.94 120.83 1wr8 h PHE 49 Ca 0.12 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1wr8 h PHE 49 Cb 0.72 -0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.03 1wr8 h PHE 49 CO 0.05 0.74 0.31 0.00 -2.02 0.00 0.00 178.31 177.39 1wr8 h ALA 50 N 0.86 0.72 -0.75 2.41 0.00 -1.08 0.59 119.26 122.02 1wr8 h ALA 50 Ca 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1wr8 h ALA 50 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1wr8 h ALA 50 CO 0.02 0.24 0.39 0.93 0.00 0.00 0.00 179.25 180.83 1wr8 h GLU 51 N 0.76 1.06 -0.50 0.00 5.08 -0.87 -0.01 114.58 120.10 1wr8 h GLU 51 Ca 0.20 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1wr8 h GLU 51 Cb 0.04 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1wr8 h GLU 51 CO -0.03 0.81 0.19 0.00 -1.00 0.00 0.00 179.01 178.98 1wr8 h ALA 52 N 1.20 0.65 -0.70 3.43 0.00 -0.74 -1.80 119.26 121.29 1wr8 h ALA 52 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wr8 h ALA 52 Cb 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1wr8 h ALA 52 CO -0.04 0.27 0.42 0.00 0.00 0.00 0.00 179.25 179.90 1wr8 h ALA 53 N 1.04 0.90 -0.91 0.00 0.00 -0.47 -0.16 119.26 119.66 1wr8 h ALA 53 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1wr8 h ALA 53 Cb 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1wr8 h ALA 53 CO -0.01 0.38 0.52 1.03 0.00 0.00 0.00 179.25 181.16 1wr8 h SER 54 N 0.96 1.12 -0.13 0.00 0.87 -0.62 0.22 113.55 115.97 1wr8 h SER 54 Ca 0.25 -0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1wr8 h SER 54 Cb -0.02 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.65 1wr8 h SER 54 CO -0.05 0.88 -0.20 0.40 -0.53 0.00 0.00 176.83 177.33 1wr8 h ILE 55 N 1.26 1.37 -0.29 2.23 2.04 -0.91 0.14 117.51 123.35 1wr8 h ILE 55 Ca 0.32 -1.43 -0.17 0.00 1.00 0.00 0.00 64.86 64.58 1wr8 h ILE 55 Cb -0.01 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1wr8 h ILE 55 CO -0.06 0.42 -0.48 -0.07 0.00 0.00 0.00 178.15 177.96 1wr8 h LEU 56 N -0.04 0.93 0.10 1.44 3.38 -0.92 -3.27 115.31 116.93 1wr8 h LEU 56 Ca 0.01 -0.52 -0.28 0.00 0.09 0.00 0.00 57.88 57.18 1wr8 h LEU 56 Cb 0.76 -0.27 0.03 0.00 0.09 0.00 0.00 40.66 41.27 1wr8 h LEU 56 CO 0.05 1.27 -1.17 0.40 0.09 0.00 0.00 178.44 179.08 1wr8 h ILE 57 N 0.62 1.30 0.00 1.22 2.04 -0.66 -3.49 117.51 118.54 1wr8 h ILE 57 Ca 0.02 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.47 1wr8 h ILE 57 Cb 1.09 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1wr8 h ILE 57 CO 0.11 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.60 1wr8 n GLY 58 N 1.35 0.72 3.86 5.37 0.00 -0.11 -4.81 105.19 111.57 1wr8 n GLY 58 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.20 5.02 -0.48 2.61 -4.23 -0.36 -4.82 115.64 112.18 1wr8 s THR 59 Ca 0.00 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 1wr8 s THR 59 Cb 0.00 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.36 1wr8 s THR 59 CO 0.00 0.15 0.40 -1.54 -0.54 0.00 0.00 174.62 173.09 1wr8 n SER 60 N 0.41 0.63 -4.92 3.99 3.41 -1.26 -4.74 113.62 111.14 1wr8 n SER 60 Ca -0.07 -0.81 -0.26 0.00 -0.26 0.00 0.00 58.87 57.46 1wr8 n SER 60 Cb 0.51 0.78 0.06 0.00 -0.26 0.00 0.00 64.21 65.30 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 -1.45 1.65 0.82 5.00 0.00 -0.95 -4.93 107.32 107.47 1wr8 s GLY 61 Ca 0.04 -0.81 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 1wr8 s GLY 61 CO 0.25 -0.43 1.17 -4.14 0.00 0.00 0.00 173.10 169.94 1wr8 s PRO 62 N -5.19 1.64 -0.02 2.90 0.02 -1.26 -4.75 135.00 128.32 1wr8 s PRO 62 Ca 0.58 1.59 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1wr8 s PRO 62 Cb -0.11 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1wr8 s PRO 62 CO 0.45 -2.18 -0.03 0.14 -0.33 0.00 0.00 177.00 175.06 1wr8 s VAL 63 N -2.40 3.99 -0.28 3.83 -7.23 -0.19 -3.71 120.40 114.41 1wr8 s VAL 63 Ca 0.69 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 60.26 1wr8 s VAL 63 Cb -0.25 -2.73 0.03 0.00 0.56 0.00 0.00 36.38 33.99 1wr8 s VAL 63 CO 0.52 0.45 -0.00 -0.69 -0.31 0.00 0.00 175.10 175.07 1wr8 s VAL 64 N -0.99 3.24 0.49 1.32 1.01 0.28 -1.82 120.40 123.93 1wr8 s VAL 64 Ca 0.17 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1wr8 s VAL 64 Cb -0.11 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 1wr8 s VAL 64 CO 0.07 0.08 0.02 0.00 0.00 0.00 0.00 175.10 175.27 1wr8 n ALA 65 N 4.72 0.44 -4.14 5.51 0.00 0.16 -0.46 120.51 126.74 1wr8 n ALA 65 Ca -0.15 -2.21 -0.34 0.00 0.00 0.00 0.00 53.44 50.74 1wr8 n ALA 65 Cb 0.46 1.24 -0.02 0.00 0.00 0.00 0.00 19.45 21.14 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 -1.20 -3.37 -3.46 0.00 1.02 -0.13 -0.79 120.64 112.71 1wr8 n GLU 66 Ca -0.19 0.39 -0.25 0.00 -0.02 0.00 0.00 57.16 57.10 1wr8 n GLU 66 Cb 0.63 -4.99 0.01 0.00 -0.02 0.00 0.00 31.44 27.06 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 -2.74 -4.29 0.00 1.62 8.00 -0.58 -1.50 116.55 117.06 1wr8 n ASP 67 Ca -0.01 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1wr8 n ASP 67 Cb 0.54 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 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 -1.34 0.47 0.02 0.44 0.00 0.03 -2.55 105.19 102.26 1wr8 n GLY 68 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1wr8 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wr8 n GLY 69 N -1.55 -1.25 2.82 -0.02 0.00 -0.56 -4.28 105.19 100.36 1wr8 n GLY 69 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 1wr8 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wr8 s ALA 70 N -2.95 0.04 -0.02 4.61 0.00 -0.68 -0.81 121.76 121.95 1wr8 s ALA 70 Ca 0.13 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.27 1wr8 s ALA 70 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1wr8 s ALA 70 CO 0.65 -0.05 -0.12 0.42 0.00 0.00 0.00 175.76 176.66 1wr8 s ILE 71 N 0.50 0.94 -0.02 0.00 1.09 0.21 0.39 121.20 124.30 1wr8 s ILE 71 Ca -0.04 -0.48 0.02 0.00 -1.10 0.00 0.00 60.65 59.04 1wr8 s ILE 71 Cb -0.06 -0.80 0.00 0.00 -1.06 0.00 0.00 42.46 40.54 1wr8 s ILE 71 CO -0.01 0.27 -0.06 -0.55 -0.10 0.00 0.00 174.94 174.49 1wr8 s SER 72 N -0.09 0.84 -0.24 3.58 0.15 -0.75 -0.11 113.70 117.08 1wr8 s SER 72 Ca 0.01 -0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.39 1wr8 s SER 72 Cb -0.07 -0.22 0.07 0.00 -1.71 0.00 0.00 66.02 64.10 1wr8 s SER 72 CO 0.00 0.04 0.59 -0.47 1.20 0.00 0.00 173.24 174.59 1wr8 s TYR 73 N 0.22 -0.87 -1.48 3.44 5.04 -0.73 -1.02 117.35 121.95 1wr8 s TYR 73 Ca -0.03 1.80 -0.11 0.00 -2.44 0.00 0.00 57.07 56.29 1wr8 s TYR 73 Cb -0.07 0.47 0.07 0.00 0.35 0.00 0.00 41.96 42.77 1wr8 s TYR 73 CO -0.00 -0.44 0.95 1.63 -1.34 0.00 0.00 175.55 176.35 1wr8 n LYS 74 N 4.11 -5.59 -1.37 4.97 4.76 -1.26 -1.20 118.16 122.58 1wr8 n LYS 74 Ca -0.20 0.62 -0.13 0.00 -2.87 0.00 0.00 58.31 55.72 1wr8 n LYS 74 Cb 0.57 -5.46 -0.05 0.00 -1.84 0.00 0.00 35.03 28.25 1wr8 n LYS 74 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wr8 n LYS 75 N -4.64 -0.93 -4.04 1.97 5.02 -1.26 -4.99 118.16 109.28 1wr8 n LYS 75 Ca -0.02 0.95 -0.33 0.00 -2.02 0.00 0.00 58.31 56.88 1wr8 n LYS 75 Cb 0.55 -5.00 -0.15 0.00 -0.02 0.00 0.00 35.03 30.41 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 -3.06 2.71 -0.11 1.97 2.47 -0.34 -5.11 119.74 118.27 1wr8 s LYS 76 Ca 0.00 -1.04 -0.12 0.00 -1.56 0.00 0.00 55.97 53.25 1wr8 s LYS 76 Cb 0.00 -2.82 -0.05 0.00 -1.46 0.00 0.00 37.83 33.50 1wr8 s LYS 76 CO 0.00 -0.39 0.29 1.03 0.16 0.00 0.00 175.35 176.44 1wr8 s ARG 77 N 1.25 3.98 -0.10 4.03 0.52 -1.26 -1.78 118.95 125.59 1wr8 s ARG 77 Ca -0.01 0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 1wr8 s ARG 77 Cb -0.16 -3.32 0.02 0.00 0.52 0.00 0.00 34.95 32.01 1wr8 s ARG 77 CO -0.07 0.48 -0.11 0.42 0.02 0.00 0.00 175.30 176.04 1wr8 s ILE 78 N -0.29 1.18 -0.18 1.52 -1.09 0.84 -5.00 121.20 118.19 1wr8 s ILE 78 Ca 0.18 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 58.10 1wr8 s ILE 78 Cb -0.14 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.58 1wr8 s ILE 78 CO 0.06 0.38 0.03 -0.36 -1.23 0.00 0.00 174.94 173.83 1wr8 s PHE 79 N 1.24 3.17 -2.05 3.97 0.08 -1.26 -0.62 117.98 122.52 1wr8 s PHE 79 Ca -0.03 -0.07 0.17 0.00 0.12 0.00 0.00 56.93 57.12 1wr8 s PHE 79 Cb -0.14 -2.05 0.47 0.00 -0.57 0.00 0.00 43.02 40.74 1wr8 s PHE 79 CO -0.04 0.07 1.39 1.28 -0.10 0.00 0.00 175.22 177.83 1wr8 n LEU 80 N 3.59 2.71 -3.57 -0.37 4.77 0.01 -4.94 117.00 119.20 1wr8 n LEU 80 Ca -0.17 -1.33 -0.08 0.00 -0.03 0.00 0.00 56.01 54.40 1wr8 n LEU 80 Cb 0.52 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1wr8 n LEU 80 CO 0.34 0.66 0.57 0.00 -1.33 0.00 0.00 177.39 177.64 1wr8 s ALA 81 N -1.36 -1.64 0.15 -1.18 0.00 -1.26 -5.04 121.76 111.43 1wr8 s ALA 81 Ca 0.34 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.86 1wr8 s ALA 81 Cb 0.18 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1wr8 s ALA 81 CO 0.24 -0.83 -0.11 -1.54 0.00 0.00 0.00 175.76 173.53 1wr8 s SER 82 N -2.71 1.88 -0.14 0.00 1.04 -1.24 -4.25 113.70 108.28 1wr8 s SER 82 Ca 0.06 -0.99 -0.05 0.00 0.48 0.00 0.00 55.95 55.44 1wr8 s SER 82 Cb -0.02 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1wr8 s SER 82 CO -0.06 -0.30 0.05 -0.04 0.98 0.00 0.00 173.24 173.87 1wr8 s MET 83 N -3.64 3.58 0.02 4.02 -1.94 -1.18 -4.89 119.30 115.27 1wr8 s MET 83 Ca 0.16 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.80 1wr8 s MET 83 Cb 0.02 -3.07 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1wr8 s MET 83 CO 0.01 0.48 0.00 -0.40 -0.01 0.00 0.00 175.02 175.10 1wr8 n ASP 84 N 2.88 -0.07 0.26 3.03 5.68 -1.26 -4.89 116.55 122.18 1wr8 n ASP 84 Ca -0.18 0.03 0.10 0.00 -0.50 0.00 0.00 54.79 54.25 1wr8 n ASP 84 Cb 0.53 0.21 0.70 0.00 -1.14 0.00 0.00 41.12 41.42 1wr8 n ASP 84 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1wr8 h GLU 85 N 0.00 0.00 -0.51 0.11 5.08 -1.98 -1.51 114.58 115.76 1wr8 h GLU 85 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1wr8 h GLU 85 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1wr8 h GLU 85 CO 0.00 0.09 0.34 0.93 -1.00 0.00 0.00 179.01 179.37 1wr8 h GLU 86 N 0.00 0.67 0.00 2.33 3.07 -1.94 0.11 114.58 118.81 1wr8 h GLU 86 Ca -0.00 -0.04 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 1wr8 h GLU 86 Cb 0.20 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1wr8 h GLU 86 CO 0.01 0.44 -0.83 -1.49 -1.40 0.00 0.00 179.01 175.75 1wr8 h TRP 87 N 0.69 0.04 -0.32 4.33 -0.00 -1.62 -1.09 115.95 117.97 1wr8 h TRP 87 Ca 0.19 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.89 59.00 1wr8 h TRP 87 Cb -0.08 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.07 1wr8 h TRP 87 CO -0.00 0.84 -0.01 0.82 -0.00 0.00 0.00 178.44 180.10 1wr8 h ILE 88 N 0.01 1.26 0.08 1.49 2.04 -1.11 -0.58 117.51 120.71 1wr8 h ILE 88 Ca -0.01 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 1wr8 h ILE 88 Cb 1.46 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 1wr8 h ILE 88 CO 0.11 0.32 -0.04 0.25 0.00 0.00 0.00 178.15 178.79 1wr8 h LEU 89 N 0.38 -0.09 -1.18 1.44 5.85 -0.93 -2.40 115.31 118.37 1wr8 h LEU 89 Ca 0.09 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1wr8 h LEU 89 Cb 0.46 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1wr8 h LEU 89 CO 0.02 -0.06 0.56 -0.25 -0.34 0.00 0.00 178.44 178.38 1wr8 h TRP 90 N -0.12 1.02 -0.81 1.25 2.91 -1.08 0.39 115.95 119.50 1wr8 h TRP 90 Ca -0.01 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1wr8 h TRP 90 Cb 0.09 -0.34 -0.04 0.00 -0.51 0.00 0.00 29.16 28.37 1wr8 h TRP 90 CO -0.07 0.57 0.45 -0.91 -1.03 0.00 0.00 178.44 177.45 1wr8 h ASN 91 N 1.04 1.00 -0.36 2.65 2.35 -0.72 -0.36 115.58 121.18 1wr8 h ASN 91 Ca 0.35 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.87 1wr8 h ASN 91 Cb 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1wr8 h ASN 91 CO -0.11 0.80 -0.31 -0.08 -1.65 0.00 0.00 177.43 176.08 1wr8 h GLU 92 N 1.12 0.84 -0.35 0.81 4.57 -0.86 -2.94 114.58 117.77 1wr8 h GLU 92 Ca 0.29 -0.43 0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1wr8 h GLU 92 Cb 0.02 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1wr8 h GLU 92 CO -0.05 1.07 0.23 0.82 -1.18 0.00 0.00 179.01 179.90 1wr8 h ILE 93 N 0.63 1.08 -0.02 2.32 2.04 -0.48 -2.16 117.51 120.93 1wr8 h ILE 93 Ca 0.06 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1wr8 h ILE 93 Cb 0.89 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1wr8 h ILE 93 CO 0.08 0.08 -0.10 0.03 0.00 0.00 0.00 178.15 178.24 1wr8 h ARG 94 N 0.46 0.02 -0.13 2.37 3.08 -1.06 0.52 114.38 119.65 1wr8 h ARG 94 Ca 0.13 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1wr8 h ARG 94 Cb -0.05 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wr8 h ARG 94 CO -0.03 0.13 -0.14 0.87 -1.07 0.00 0.00 179.97 179.73 1wr8 h LYS 95 N 0.02 0.31 0.14 0.04 1.57 -1.27 -3.24 116.57 114.15 1wr8 h LYS 95 Ca 0.00 -0.17 -0.28 0.00 -1.87 0.00 0.00 60.65 58.33 1wr8 h LYS 95 Cb 0.19 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1wr8 h LYS 95 CO 0.01 0.72 -1.28 0.00 -0.57 0.00 0.00 179.45 178.34 1wr8 h ARG 96 N -0.08 0.29 -2.95 3.15 3.08 -0.99 -3.41 114.38 113.47 1wr8 h ARG 96 Ca 0.02 -0.49 -0.61 0.00 0.07 0.00 0.00 59.98 58.97 1wr8 h ARG 96 Cb 0.67 0.18 -0.40 0.00 0.08 0.00 0.00 29.97 30.50 1wr8 h ARG 96 CO 0.03 1.23 -0.72 -0.06 -1.07 0.00 0.00 179.97 179.38 1wr8 s PHE 97 N -2.65 2.36 0.04 3.04 0.40 0.18 -4.97 117.98 116.37 1wr8 s PHE 97 Ca -0.05 -2.72 0.25 0.00 -0.60 0.00 0.00 56.93 53.82 1wr8 s PHE 97 Cb 0.07 -2.03 1.39 0.00 0.51 0.00 0.00 43.02 42.96 1wr8 s PHE 97 CO 0.89 -0.73 1.77 -1.00 0.70 0.00 0.00 175.22 176.85 1wr8 h PRO 98 N 6.18 0.00 0.00 0.24 0.13 -1.76 -1.97 132.00 134.82 1wr8 h PRO 98 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1wr8 h PRO 98 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wr8 h PRO 98 CO 0.54 0.00 -0.68 0.09 -0.23 0.00 0.00 178.00 177.72 1wr8 n ASN 99 N -2.42 0.68 -4.77 1.44 5.03 -1.26 -4.92 115.26 109.04 1wr8 n ASN 99 Ca -0.02 -0.52 -0.40 0.00 0.87 0.00 0.00 54.58 54.51 1wr8 n ASN 99 Cb 0.09 0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 39.36 1wr8 n ASN 99 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wr8 s ALA 100 N -3.00 3.36 0.09 5.41 0.00 -0.74 -4.87 121.76 122.00 1wr8 s ALA 100 Ca 0.10 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.22 1wr8 s ALA 100 Cb 0.17 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1wr8 s ALA 100 CO 0.76 -0.58 -0.09 1.03 0.00 0.00 0.00 175.76 176.88 1wr8 s ARG 101 N -1.95 0.79 0.33 0.00 0.52 -1.26 -4.96 118.95 112.42 1wr8 s ARG 101 Ca 0.52 -1.11 0.07 0.00 -0.52 0.00 0.00 55.73 54.69 1wr8 s ARG 101 Cb -0.36 -0.45 -0.02 0.00 0.52 0.00 0.00 34.95 34.64 1wr8 s ARG 101 CO 0.47 0.06 0.36 0.95 0.02 0.00 0.00 175.30 177.16 1wr8 s THR 102 N -2.41 3.79 0.47 0.02 -4.23 -1.26 -0.83 115.64 111.19 1wr8 s THR 102 Ca 0.04 -1.22 -0.23 0.00 -1.18 0.00 0.00 61.69 59.09 1wr8 s THR 102 Cb -0.03 -3.29 -0.07 0.00 1.34 0.00 0.00 72.50 70.45 1wr8 s THR 102 CO -0.01 -0.17 1.24 -0.55 -0.54 0.00 0.00 174.62 174.59 1wr8 s SER 103 N -4.06 5.96 0.19 3.99 0.15 -0.05 -4.71 113.70 115.17 1wr8 s SER 103 Ca 0.42 2.49 0.18 0.00 0.70 0.00 0.00 55.95 59.74 1wr8 s SER 103 Cb -0.07 -2.62 0.83 0.00 -1.71 0.00 0.00 66.02 62.45 1wr8 s SER 103 CO 0.28 -1.08 1.56 0.00 1.20 0.00 0.00 173.24 175.20 1wr8 n TYR 104 N -0.51 0.52 1.16 3.44 4.11 -1.26 -1.76 117.16 122.86 1wr8 n TYR 104 Ca 0.07 0.23 0.10 0.00 -0.00 0.00 0.00 57.90 58.30 1wr8 n TYR 104 Cb 0.46 -0.87 0.34 0.00 -0.00 0.00 0.00 39.34 39.27 1wr8 n TYR 104 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1wr8 n THR 105 N -2.00 0.26 -0.17 -3.48 -2.24 -1.26 -4.32 114.28 101.07 1wr8 n THR 105 Ca 0.01 -0.37 0.13 0.00 -2.27 0.00 0.00 64.05 61.55 1wr8 n THR 105 Cb 0.14 0.36 0.46 0.00 -2.10 0.00 0.00 70.33 69.19 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 2.22 0.49 0.00 -0.78 2.86 -1.72 -0.34 114.93 117.67 1wr8 h MET 106 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wr8 h MET 106 Cb 0.49 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1wr8 h MET 106 CO 0.00 0.33 -0.00 -1.35 1.06 0.00 0.00 176.91 176.95 1wr8 h PRO 107 N 0.51 0.00 0.00 -0.22 0.11 -1.85 -2.22 132.00 128.32 1wr8 h PRO 107 Ca 0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.45 1wr8 h PRO 107 Cb 0.67 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.78 1wr8 h PRO 107 CO -0.12 0.00 -0.88 -0.44 -0.21 0.00 0.00 178.00 176.35 1wr8 h ASP 108 N 0.00 0.00 -3.29 -2.05 3.32 -1.38 -3.48 116.42 109.54 1wr8 h ASP 108 Ca -0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 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 0.06 -0.20 -0.13 -1.72 0.00 0.00 179.24 177.25 1wr8 s ARG 109 N -3.30 3.70 0.00 3.56 0.52 -0.84 -4.80 118.95 117.79 1wr8 s ARG 109 Ca 0.00 0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1wr8 s ARG 109 Cb 0.09 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.83 1wr8 s ARG 109 CO 0.77 0.36 0.02 0.54 0.02 0.00 0.00 175.30 177.01 1wr8 n ARG 110 N -0.16 1.45 -1.22 3.54 1.74 -1.26 -4.89 116.66 115.85 1wr8 n ARG 110 Ca -0.01 -0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1wr8 n ARG 110 Cb 0.52 -0.19 0.11 0.00 -1.02 0.00 0.00 32.46 31.89 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 -0.21 3.32 0.00 7.54 0.00 -1.26 -3.10 120.51 126.80 1wr8 n ALA 111 Ca 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 53.44 50.43 1wr8 n ALA 111 Cb 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.51 2.47 3.71 0.00 0.00 -1.26 -4.76 105.19 104.84 1wr8 n GLY 112 Ca 0.17 0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 4.31 -0.26 0.99 2.96 0.01 -4.89 118.68 121.79 1wr8 s LEU 113 Ca 0.00 1.17 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 1wr8 s LEU 113 Cb 0.00 -3.07 0.01 0.00 0.50 0.00 0.00 46.19 43.63 1wr8 s LEU 113 CO 0.00 -0.12 0.00 -0.69 -1.32 0.00 0.00 176.35 174.22 1wr8 s VAL 114 N 0.84 3.43 -0.10 1.68 1.01 -1.26 -0.35 120.40 125.65 1wr8 s VAL 114 Ca 0.37 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1wr8 s VAL 114 Cb -0.18 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1wr8 s VAL 114 CO 0.18 0.18 0.07 -0.63 0.00 0.00 0.00 175.10 174.89 1wr8 s ILE 115 N 1.43 4.85 -0.27 2.22 1.01 0.69 -0.87 121.20 130.26 1wr8 s ILE 115 Ca 0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 1wr8 s ILE 115 Cb -0.16 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1wr8 s ILE 115 CO -0.01 0.60 1.43 -0.04 0.00 0.00 0.00 174.94 176.92 1wr8 s MET 116 N -0.99 3.86 0.62 2.79 -1.94 -0.01 -1.02 119.30 122.61 1wr8 s MET 116 Ca 0.14 1.41 0.40 0.00 -1.71 0.00 0.00 55.69 55.93 1wr8 s MET 116 Cb -0.12 -3.95 1.97 0.00 2.01 0.00 0.00 34.83 34.75 1wr8 s MET 116 CO 0.04 -1.20 2.21 0.07 -0.01 0.00 0.00 175.02 176.12 1wr8 h ARG 117 N 9.91 0.00 0.00 2.03 0.11 -1.82 -1.16 114.38 123.46 1wr8 h ARG 117 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 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 1.02 0.00 0.00 0.93 0.10 0.00 0.00 179.97 182.02 1wr8 h GLU 118 N 0.00 0.00 0.00 0.08 3.07 -1.91 -3.27 114.58 112.55 1wr8 h GLU 118 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wr8 h GLU 118 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1wr8 h GLU 118 CO 0.00 0.00 -1.03 0.25 -1.40 0.00 0.00 179.01 176.83 1wr8 n THR 119 N -3.06 0.00 -3.56 1.13 -2.24 -0.44 -5.02 114.28 101.09 1wr8 n THR 119 Ca 0.00 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 1wr8 n THR 119 Cb 0.28 0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 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 -2.61 0.00 0.31 2.28 2.07 -1.21 -4.34 121.20 117.70 1wr8 s ILE 120 Ca 0.02 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.99 1wr8 s ILE 120 Cb 0.11 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.60 1wr8 s ILE 120 CO 0.62 0.00 0.99 0.20 -1.91 0.00 0.00 174.94 174.83 1wr8 s ASN 121 N -0.77 7.28 0.43 4.50 0.01 -1.26 -4.55 114.94 120.57 1wr8 s ASN 121 Ca -0.07 1.97 0.10 0.00 -0.71 0.00 0.00 52.86 54.15 1wr8 s ASN 121 Cb -0.01 -2.59 0.93 0.00 0.41 0.00 0.00 41.25 39.98 1wr8 s ASN 121 CO 0.06 -0.12 2.03 1.62 -1.51 0.00 0.00 177.10 179.18 1wr8 h VAL 122 N 2.71 1.11 -0.85 1.60 3.04 -1.98 -1.44 116.25 120.43 1wr8 h VAL 122 Ca -0.47 -0.36 -0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1wr8 h VAL 122 Cb 1.20 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 31.32 1wr8 h VAL 122 CO 0.65 0.13 0.52 -0.33 -1.01 0.00 0.00 177.57 177.53 1wr8 h GLU 123 N 0.30 1.15 -0.59 4.17 3.07 -1.96 -1.47 114.58 119.25 1wr8 h GLU 123 Ca 0.08 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 1wr8 h GLU 123 Cb 0.11 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 1wr8 h GLU 123 CO -0.00 0.80 0.02 1.15 -1.40 0.00 0.00 179.01 179.58 1wr8 h THR 124 N 1.17 1.26 -0.58 1.13 2.02 -1.66 -1.46 112.91 114.80 1wr8 h THR 124 Ca 0.31 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 1wr8 h THR 124 Cb -0.05 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1wr8 h THR 124 CO -0.06 0.40 0.25 0.58 0.37 0.00 0.00 175.52 177.07 1wr8 h VAL 125 N 0.93 1.22 -0.73 3.16 2.07 -1.05 -2.18 116.25 119.67 1wr8 h VAL 125 Ca 0.17 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1wr8 h VAL 125 Cb 0.52 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1wr8 h VAL 125 CO 0.03 0.25 0.29 0.03 0.02 0.00 0.00 177.57 178.19 1wr8 h ARG 126 N 0.79 1.08 -0.89 1.57 3.08 -1.08 -1.07 114.38 117.86 1wr8 h ARG 126 Ca 0.19 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wr8 h ARG 126 Cb 0.16 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1wr8 h ARG 126 CO -0.02 0.87 0.54 0.93 -1.07 0.00 0.00 179.97 181.22 1wr8 h GLU 127 N 1.05 1.21 -0.16 0.04 5.08 -0.83 -1.39 114.58 119.58 1wr8 h GLU 127 Ca 0.24 -0.11 -0.18 0.00 -1.00 0.00 0.00 59.36 58.32 1wr8 h GLU 127 Cb 0.20 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1wr8 h GLU 127 CO -0.02 0.85 -0.63 0.82 -1.00 0.00 0.00 179.01 179.02 1wr8 h ILE 128 N 1.22 1.33 -0.55 3.13 2.04 -0.97 -1.74 117.51 121.97 1wr8 h ILE 128 Ca 0.32 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 64.27 1wr8 h ILE 128 Cb -0.05 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1wr8 h ILE 128 CO -0.06 0.59 0.35 0.40 0.00 0.00 0.00 178.15 179.43 1wr8 h ILE 129 N 0.42 1.15 -0.40 -0.67 2.04 -0.79 -1.81 117.51 117.45 1wr8 h ILE 129 Ca -0.01 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1wr8 h ILE 129 Cb 1.20 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1wr8 h ILE 129 CO 0.12 0.15 -0.06 -1.13 0.00 0.00 0.00 178.15 177.23 1wr8 h ASN 130 N 0.74 0.74 -0.97 1.72 -0.73 -1.17 -1.33 115.58 114.58 1wr8 h ASN 130 Ca 0.20 -0.34 0.05 0.00 1.87 0.00 0.00 56.30 58.07 1wr8 h ASN 130 Cb -0.05 -0.20 -0.06 0.00 0.27 0.00 0.00 38.32 38.28 1wr8 h ASN 130 CO -0.04 0.91 0.63 -0.33 -0.37 0.00 0.00 177.43 178.23 1wr8 h GLU 131 N 0.56 1.15 -0.01 6.67 5.08 -1.06 -1.13 114.58 125.84 1wr8 h GLU 131 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1wr8 h GLU 131 Cb 0.57 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1wr8 h GLU 131 CO 0.03 0.76 -0.05 1.28 -1.00 0.00 0.00 179.01 180.04 1wr8 n LEU 132 N -4.49 1.04 -3.77 1.33 4.77 -0.70 -4.95 117.00 110.24 1wr8 n LEU 132 Ca 0.13 -0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 55.56 1wr8 n LEU 132 Cb 0.12 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1wr8 n LEU 132 CO 0.34 0.18 -0.12 0.59 -1.33 0.00 0.00 177.39 177.04 1wr8 n ASN 133 N -0.28 -1.63 -4.89 -1.43 4.13 -0.43 -4.97 115.26 105.77 1wr8 n ASN 133 Ca 0.18 -0.91 -0.32 0.00 1.68 0.00 0.00 54.58 55.21 1wr8 n ASN 133 Cb 0.30 -3.66 -0.05 0.00 -1.54 0.00 0.00 39.78 34.83 1wr8 n ASN 133 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1wr8 s LEU 134 N -6.70 4.30 -1.25 3.41 1.43 -0.72 -5.00 118.68 114.14 1wr8 s LEU 134 Ca 0.08 0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 1wr8 s LEU 134 Cb -0.03 -3.17 0.17 0.00 0.03 0.00 0.00 46.19 43.19 1wr8 s LEU 134 CO 0.84 0.10 1.66 -3.20 0.23 0.00 0.00 176.35 175.98 1wr8 n ASN 135 N 0.38 5.15 -3.95 2.29 5.15 -1.26 -4.82 115.26 118.21 1wr8 n ASN 135 Ca -0.05 -3.04 -0.09 0.00 -0.60 0.00 0.00 54.58 50.81 1wr8 n ASN 135 Cb 0.52 -1.53 -0.09 0.00 -0.53 0.00 0.00 39.78 38.15 1wr8 n ASN 135 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wr8 s LEU 136 N 0.77 1.85 0.10 1.20 1.43 -1.26 -4.45 118.68 118.31 1wr8 s LEU 136 Ca 0.41 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1wr8 s LEU 136 Cb 0.03 0.65 -0.03 0.00 0.03 0.00 0.00 46.19 46.87 1wr8 s LEU 136 CO 0.00 -0.61 -0.17 0.68 0.23 0.00 0.00 176.35 176.48 1wr8 s VAL 137 N -3.38 1.44 -0.15 -1.59 -7.23 -0.54 -4.90 120.40 104.05 1wr8 s VAL 137 Ca 0.02 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1wr8 s VAL 137 Cb 0.03 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.62 1wr8 s VAL 137 CO -0.08 -0.18 -0.16 0.00 -0.31 0.00 0.00 175.10 174.37 1wr8 s ALA 138 N -1.36 1.96 -0.07 1.32 0.00 -1.26 -1.64 121.76 120.71 1wr8 s ALA 138 Ca 0.04 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1wr8 s ALA 138 Cb -0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 23.12 21.95 1wr8 s ALA 138 CO 0.03 -0.34 -0.21 0.08 0.00 0.00 0.00 175.76 175.32 1wr8 s VAL 139 N 1.38 2.39 -0.39 0.00 1.01 0.19 -4.94 120.40 120.05 1wr8 s VAL 139 Ca 0.04 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 1wr8 s VAL 139 Cb -0.13 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1wr8 s VAL 139 CO -0.10 0.57 0.27 -0.62 0.00 0.00 0.00 175.10 175.21 1wr8 s ASP 140 N -0.16 6.03 0.10 3.32 -1.08 -1.26 -0.38 116.67 123.24 1wr8 s ASP 140 Ca -0.03 -0.80 0.27 0.00 -0.52 0.00 0.00 52.55 51.47 1wr8 s ASP 140 Cb -0.14 -2.13 1.00 0.00 -1.46 0.00 0.00 42.92 40.19 1wr8 s ASP 140 CO 0.04 -0.39 1.83 -1.54 0.52 0.00 0.00 175.17 175.63 1wr8 n SER 141 N 5.12 0.40 0.00 -0.34 3.41 -0.66 -4.87 113.62 116.68 1wr8 n SER 141 Ca -0.12 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1wr8 n SER 141 Cb 0.47 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 1.41 2.31 0.06 5.00 0.00 -1.26 -4.79 105.19 107.93 1wr8 n GLY 142 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 1wr8 n GLY 142 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wr8 n PHE 143 N -1.87 0.00 -3.71 1.61 7.35 -1.26 -5.08 117.46 114.50 1wr8 n PHE 143 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1wr8 n PHE 143 Cb 0.00 -0.51 -0.02 0.00 0.35 0.00 0.00 39.48 39.30 1wr8 n PHE 143 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wr8 s ALA 144 N -2.26 -1.40 -0.23 3.13 0.00 -1.26 -4.62 121.76 115.12 1wr8 s ALA 144 Ca -0.14 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 1wr8 s ALA 144 Cb 0.04 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1wr8 s ALA 144 CO 0.33 -0.95 0.20 0.42 0.00 0.00 0.00 175.76 175.76 1wr8 s ILE 145 N -3.77 5.34 -0.21 0.00 1.01 -0.19 -1.65 121.20 121.74 1wr8 s ILE 145 Ca 0.08 0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1wr8 s ILE 145 Cb -0.04 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1wr8 s ILE 145 CO 0.00 0.34 -0.01 -1.00 0.00 0.00 0.00 174.94 174.28 1wr8 s HIS 146 N 1.01 3.02 -0.23 3.97 3.76 0.49 -0.22 115.29 127.09 1wr8 s HIS 146 Ca 0.09 -0.55 -0.05 0.00 -0.15 0.00 0.00 55.06 54.40 1wr8 s HIS 146 Cb -0.13 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 1wr8 s HIS 146 CO 0.04 -0.31 -0.01 0.08 -0.85 0.00 0.00 174.74 173.70 1wr8 s VAL 147 N 1.12 3.68 0.31 -0.90 1.01 0.53 -0.64 120.40 125.52 1wr8 s VAL 147 Ca 0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1wr8 s VAL 147 Cb -0.14 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1wr8 s VAL 147 CO 0.01 0.40 0.45 -1.59 0.00 0.00 0.00 175.10 174.37 1wr8 s LYS 148 N 1.50 1.76 0.40 2.72 -2.85 -0.65 -0.81 119.74 121.81 1wr8 s LYS 148 Ca 0.06 -1.61 -0.26 0.00 -1.00 0.00 0.00 55.97 53.16 1wr8 s LYS 148 Cb -0.14 0.44 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 1wr8 s LYS 148 CO -0.01 -0.73 1.25 0.15 0.10 0.00 0.00 175.35 176.12 1wr8 s LYS 149 N -3.38 4.00 0.63 1.78 -0.14 -1.26 -1.46 119.74 119.90 1wr8 s LYS 149 Ca 0.29 2.04 0.33 0.00 -1.36 0.00 0.00 55.97 57.27 1wr8 s LYS 149 Cb 0.00 -2.73 1.83 0.00 -1.68 0.00 0.00 37.83 35.25 1wr8 s LYS 149 CO 0.16 -0.43 2.12 -1.35 -0.76 0.00 0.00 175.35 175.09 1wr8 h PRO 150 N 2.67 0.00 -0.02 -1.68 0.11 -1.91 -2.28 132.00 128.89 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1wr8 h PRO 150 CO 0.63 0.00 -0.10 -2.67 -0.21 0.00 0.00 178.00 175.64 1wr8 n TRP 151 N -3.42 0.00 -3.22 0.65 2.14 -1.26 -4.87 117.44 107.46 1wr8 n TRP 151 Ca -0.00 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.17 1wr8 n TRP 151 Cb 0.28 -0.02 -0.07 0.00 -0.81 0.00 0.00 31.31 30.69 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 -2.14 5.06 0.26 -1.67 -1.09 -0.86 -4.89 121.20 115.88 1wr8 s ILE 152 Ca 0.30 0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 59.44 1wr8 s ILE 152 Cb 0.20 -3.84 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 1wr8 s ILE 152 CO 0.38 0.08 0.66 0.54 -1.23 0.00 0.00 174.94 175.38 1wr8 s ASN 153 N 1.52 -0.24 0.37 3.58 2.20 -1.22 -4.88 114.94 116.26 1wr8 s ASN 153 Ca 0.22 -0.64 0.05 0.00 -0.94 0.00 0.00 52.86 51.55 1wr8 s ASN 153 Cb -0.16 0.69 0.73 0.00 -2.00 0.00 0.00 41.25 40.52 1wr8 s ASN 153 CO 0.09 -1.28 1.99 0.11 -2.94 0.00 0.00 177.10 175.07 1wr8 h LYS 154 N 2.06 0.73 0.10 3.55 1.57 -1.78 -1.58 116.57 121.21 1wr8 h LYS 154 Ca -0.21 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1wr8 h LYS 154 Cb 1.25 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1wr8 h LYS 154 CO 0.27 0.48 -0.05 0.78 -0.57 0.00 0.00 179.45 180.36 1wr8 h GLY 155 N 0.75 -0.14 2.00 3.86 0.00 -1.89 0.62 103.07 108.27 1wr8 h GLY 155 Ca 0.26 0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.60 1wr8 h GLY 155 CO -0.07 -0.05 -0.21 1.48 0.00 0.00 0.00 176.54 177.69 1wr8 h SER 156 N -0.34 0.00 -0.16 0.19 4.64 -1.81 -0.91 113.55 115.16 1wr8 h SER 156 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 1wr8 h SER 156 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1wr8 h SER 156 CO 0.02 0.21 -0.30 1.23 -0.87 0.00 0.00 176.83 177.12 1wr8 h GLY 157 N 0.80 0.53 1.36 -0.77 0.00 -1.01 -2.73 103.07 101.25 1wr8 h GLY 157 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.65 1wr8 h GLY 157 CO 0.03 0.56 0.09 -2.22 0.00 0.00 0.00 176.54 174.99 1wr8 h ILE 158 N 0.11 1.23 -0.57 2.60 2.04 -0.41 -0.36 117.51 122.15 1wr8 h ILE 158 Ca 0.01 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1wr8 h ILE 158 Cb 0.89 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1wr8 h ILE 158 CO 0.07 0.31 0.23 -0.33 0.00 0.00 0.00 178.15 178.43 1wr8 h GLU 159 N 0.76 0.85 -0.59 2.37 5.08 -1.16 0.94 114.58 122.83 1wr8 h GLU 159 Ca 0.16 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1wr8 h GLU 159 Cb 0.33 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1wr8 h GLU 159 CO 0.00 0.73 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.47 1wr8 h LYS 160 N 0.78 1.07 -0.75 2.33 1.63 -1.15 -2.19 116.57 118.29 1wr8 h LYS 160 Ca 0.19 -0.37 -0.05 0.00 -0.85 0.00 0.00 60.65 59.57 1wr8 h LYS 160 Cb 0.20 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 1wr8 h LYS 160 CO -0.02 1.07 0.28 0.00 -3.45 0.00 0.00 179.45 177.33 1wr8 h ALA 161 N 0.96 1.08 -0.85 5.00 0.00 -0.69 -2.26 119.26 122.49 1wr8 h ALA 161 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wr8 h ALA 161 Cb 0.62 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1wr8 h ALA 161 CO 0.04 0.65 0.54 0.77 0.00 0.00 0.00 179.25 181.25 1wr8 h SER 162 N 1.10 1.00 -0.33 0.00 0.02 -0.50 -1.59 113.55 113.24 1wr8 h SER 162 Ca 0.25 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.19 1wr8 h SER 162 Cb 0.24 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1wr8 h SER 162 CO -0.02 0.74 0.12 -0.08 -1.14 0.00 0.00 176.83 176.45 1wr8 h GLU 163 N 1.16 0.25 -0.28 3.45 4.81 -0.83 -0.39 114.58 122.74 1wr8 h GLU 163 Ca 0.31 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1wr8 h GLU 163 Cb -0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1wr8 h GLU 163 CO -0.06 0.17 0.02 0.74 -0.73 0.00 0.00 179.01 179.14 1wr8 h PHE 164 N 0.26 0.43 0.00 0.92 0.04 -1.03 -1.48 116.94 116.08 1wr8 h PHE 164 Ca 0.15 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1wr8 h PHE 164 Cb 0.12 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.14 1wr8 h PHE 164 CO -0.14 0.42 0.00 -0.11 -0.60 0.00 0.00 178.31 177.88 1wr8 n LEU 165 N -4.33 0.40 0.00 1.54 7.94 -0.64 -4.92 117.00 116.99 1wr8 n LEU 165 Ca 0.01 0.54 0.00 0.00 -1.11 0.00 0.00 56.01 55.45 1wr8 n LEU 165 Cb 0.20 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.73 1wr8 n LEU 165 CO 0.38 -0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.14 1wr8 n GLY 166 N 1.27 0.44 3.49 -3.96 0.00 -0.25 -5.06 105.19 101.11 1wr8 n GLY 166 Ca 0.06 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.00 1.19 0.16 -0.61 -4.36 -0.63 -5.03 121.20 109.93 1wr8 s ILE 167 Ca 0.00 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 1wr8 s ILE 167 Cb 0.00 -2.73 -0.07 0.00 1.25 0.00 0.00 42.46 40.91 1wr8 s ILE 167 CO 0.00 0.00 0.54 -0.54 0.24 0.00 0.00 174.94 175.18 1wr8 s LYS 168 N -3.85 3.92 0.46 0.37 1.02 -1.26 -3.94 119.74 116.45 1wr8 s LYS 168 Ca 0.33 0.42 0.15 0.00 0.02 0.00 0.00 55.97 56.89 1wr8 s LYS 168 Cb 0.08 -2.87 1.10 0.00 -0.52 0.00 0.00 37.83 35.62 1wr8 s LYS 168 CO 0.15 0.45 2.00 -1.35 -0.92 0.00 0.00 175.35 175.68 1wr8 h PRO 169 N 3.33 0.31 0.00 -1.68 0.11 -1.89 0.54 132.00 132.72 1wr8 h PRO 169 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1wr8 h PRO 169 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wr8 h PRO 169 CO 0.67 0.20 0.00 1.63 -0.21 0.00 0.00 178.00 180.29 1wr8 n LYS 170 N -4.46 0.64 -0.43 1.05 4.76 -1.25 -1.63 118.16 116.84 1wr8 n LYS 170 Ca 0.08 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.62 1wr8 n LYS 170 Cb 0.36 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.34 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 -1.02 3.21 -4.42 1.97 1.02 0.18 -3.63 120.64 117.95 1wr8 n GLU 171 Ca 0.16 -2.62 -0.32 0.00 -0.02 0.00 0.00 57.16 54.36 1wr8 n GLU 171 Cb 0.08 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 29.74 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 -1.57 3.63 -0.14 2.62 1.01 -0.64 -0.00 120.40 125.31 1wr8 s VAL 172 Ca 0.42 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1wr8 s VAL 172 Cb 0.26 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1wr8 s VAL 172 CO 0.22 0.35 -0.14 0.00 0.00 0.00 0.00 175.10 175.53 1wr8 s ALA 173 N -1.03 2.55 -0.08 5.51 0.00 -0.55 -0.65 121.76 127.49 1wr8 s ALA 173 Ca 0.18 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1wr8 s ALA 173 Cb -0.11 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1wr8 s ALA 173 CO 0.09 0.13 -0.01 -1.58 0.00 0.00 0.00 175.76 174.39 1wr8 s HIS 174 N 0.55 3.12 -0.23 0.00 2.46 -0.19 -0.23 115.29 120.78 1wr8 s HIS 174 Ca -0.09 0.15 0.02 0.00 0.47 0.00 0.00 55.06 55.61 1wr8 s HIS 174 Cb -0.16 -1.78 0.04 0.00 -0.13 0.00 0.00 32.58 30.55 1wr8 s HIS 174 CO 0.04 0.43 -0.14 0.08 -2.47 0.00 0.00 174.74 172.68 1wr8 s VAL 175 N -0.83 2.22 0.35 0.89 1.01 -0.19 -0.59 120.40 123.25 1wr8 s VAL 175 Ca 0.13 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.87 1wr8 s VAL 175 Cb -0.11 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 1wr8 s VAL 175 CO 0.02 0.23 0.07 -0.83 0.00 0.00 0.00 175.10 174.59 1wr8 s GLY 176 N 1.21 2.21 0.00 4.51 0.00 -0.39 -2.47 107.32 112.38 1wr8 s GLY 176 Ca -0.02 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.82 1wr8 s GLY 176 CO -0.08 -1.84 0.12 2.09 0.00 0.00 0.00 173.10 173.38 1wr8 n ASP 177 N -0.81 0.23 -3.71 1.64 5.75 -1.26 -1.96 116.55 116.43 1wr8 n ASP 177 Ca -0.03 -0.76 -0.20 0.00 -0.01 0.00 0.00 54.79 53.78 1wr8 n ASP 177 Cb 0.66 0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.76 1wr8 n ASP 177 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1wr8 s GLY 178 N -0.09 2.27 0.22 6.12 0.00 -1.26 -4.11 107.32 110.47 1wr8 s GLY 178 Ca 0.00 -1.80 -0.08 0.00 0.00 0.00 0.00 44.72 42.85 1wr8 s GLY 178 CO 0.00 -1.57 1.80 -2.09 0.00 0.00 0.00 173.10 171.24 1wr8 h GLU 179 N 2.12 0.65 0.00 2.90 4.57 -1.97 -1.53 114.58 121.32 1wr8 h GLU 179 Ca -0.30 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1wr8 h GLU 179 Cb 1.25 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1wr8 h GLU 179 CO 0.45 0.43 0.00 0.27 -1.18 0.00 0.00 179.01 178.98 1wr8 n ASN 180 N -4.81 0.00 -0.04 1.04 2.04 -1.26 -1.95 115.26 110.29 1wr8 n ASN 180 Ca 0.10 0.15 0.14 0.00 -0.44 0.00 0.00 54.58 54.54 1wr8 n ASN 180 Cb 0.23 -0.29 0.67 0.00 -2.53 0.00 0.00 39.78 37.86 1wr8 n ASN 180 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1wr8 n ASP 181 N -1.29 0.17 0.01 0.53 8.00 -0.57 -3.29 116.55 120.11 1wr8 n ASP 181 Ca 0.04 -0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.34 1wr8 n ASP 181 Cb 0.08 -0.22 0.25 0.00 -0.02 0.00 0.00 41.12 41.21 1wr8 n ASP 181 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wr8 h LEU 182 N 0.17 0.49 -1.05 0.64 3.38 -1.56 -0.13 115.31 117.25 1wr8 h LEU 182 Ca 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1wr8 h LEU 182 Cb 0.35 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1wr8 h LEU 182 CO 0.00 0.64 0.50 0.44 0.09 0.00 0.00 178.44 180.11 1wr8 h ASP 183 N 0.47 1.03 -0.10 -0.43 3.32 -1.79 -1.46 116.42 117.45 1wr8 h ASP 183 Ca 0.09 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1wr8 h ASP 183 Cb 0.48 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1wr8 h ASP 183 CO 0.03 0.80 -0.24 0.00 -1.72 0.00 0.00 179.24 178.11 1wr8 h ALA 184 N 1.38 0.17 -0.97 3.45 0.00 -1.57 -3.17 119.26 118.55 1wr8 h ALA 184 Ca 0.30 -0.39 0.18 0.00 0.00 0.00 0.00 54.91 55.00 1wr8 h ALA 184 Cb -0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 1wr8 h ALA 184 CO -0.06 0.14 0.57 0.74 0.00 0.00 0.00 179.25 180.65 1wr8 h PHE 185 N -0.10 1.00 -0.87 0.00 -1.00 -0.70 -1.77 116.94 113.50 1wr8 h PHE 185 Ca -0.00 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.84 1wr8 h PHE 185 Cb 0.84 -0.30 -0.05 0.00 3.61 0.00 0.00 35.95 40.05 1wr8 h PHE 185 CO 0.11 0.23 0.58 0.87 -1.61 0.00 0.00 178.31 178.48 1wr8 h LYS 186 N 0.73 1.10 0.00 1.51 1.57 -1.25 -3.18 116.57 117.06 1wr8 h LYS 186 Ca 0.55 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1wr8 h LYS 186 Cb 0.83 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1wr8 h LYS 186 CO -0.38 0.73 -1.15 1.33 -0.57 0.00 0.00 179.45 179.41 1wr8 n VAL 187 N -4.43 0.39 -2.48 0.50 0.24 -0.71 -4.98 118.33 106.86 1wr8 n VAL 187 Ca 0.11 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.34 61.73 1wr8 n VAL 187 Cb 0.07 -0.14 0.07 0.00 -1.47 0.00 0.00 33.84 32.37 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 -3.34 2.37 -0.18 3.34 -7.23 -0.93 -3.89 120.40 110.54 1wr8 s VAL 188 Ca -0.00 -0.51 0.21 0.00 -1.81 0.00 0.00 61.98 59.86 1wr8 s VAL 188 Cb 0.12 -2.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.12 1wr8 s VAL 188 CO 0.81 0.00 0.90 0.61 -0.31 0.00 0.00 175.10 177.10 1wr8 n GLY 189 N -2.70 -1.33 2.93 2.32 0.00 0.17 -4.77 105.19 101.81 1wr8 n GLY 189 Ca 0.10 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1wr8 n GLY 189 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wr8 s TYR 190 N -3.25 -0.06 -0.11 1.61 5.04 -1.01 -5.00 117.35 114.58 1wr8 s TYR 190 Ca -0.02 0.15 0.03 0.00 -2.44 0.00 0.00 57.07 54.78 1wr8 s TYR 190 Cb 0.10 0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.43 1wr8 s TYR 190 CO 0.81 -0.03 -0.20 0.15 -1.34 0.00 0.00 175.55 174.94 1wr8 s LYS 191 N 0.01 2.67 -0.02 4.97 1.02 -1.26 -1.02 119.74 126.11 1wr8 s LYS 191 Ca -0.00 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.29 1wr8 s LYS 191 Cb -0.01 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 1wr8 s LYS 191 CO 0.00 0.04 -0.13 0.08 -0.92 0.00 0.00 175.35 174.42 1wr8 s VAL 192 N 0.70 1.03 -0.03 3.17 1.01 0.24 -0.03 120.40 126.49 1wr8 s VAL 192 Ca -0.11 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1wr8 s VAL 192 Cb -0.16 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.33 1wr8 s VAL 192 CO 0.02 0.30 -0.22 0.00 0.00 0.00 0.00 175.10 175.20 1wr8 s ALA 193 N -0.12 1.90 0.61 5.51 0.00 -0.74 -1.27 121.76 127.65 1wr8 s ALA 193 Ca 0.02 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.93 1wr8 s ALA 193 Cb -0.07 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 1wr8 s ALA 193 CO 0.00 0.42 0.99 0.14 0.00 0.00 0.00 175.76 177.31 1wr8 s VAL 194 N -0.34 4.44 0.44 0.00 -7.23 -0.83 -1.37 120.40 115.52 1wr8 s VAL 194 Ca 0.03 0.63 0.23 0.00 -1.81 0.00 0.00 61.98 61.06 1wr8 s VAL 194 Cb -0.11 -3.77 0.43 0.00 0.56 0.00 0.00 36.38 33.50 1wr8 s VAL 194 CO 0.01 -0.96 1.80 0.00 -0.31 0.00 0.00 175.10 175.64 1wr8 h ALA 195 N -0.28 2.46 -0.16 1.32 0.00 -1.49 -1.71 119.26 119.39 1wr8 h ALA 195 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wr8 h ALA 195 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wr8 h ALA 195 CO 0.62 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1wr8 n GLN 196 N -4.49 1.72 -1.38 0.00 0.00 -1.26 -4.94 117.38 107.03 1wr8 n GLN 196 Ca 0.24 -1.08 -0.33 0.00 0.00 0.00 0.00 57.00 55.83 1wr8 n GLN 196 Cb 0.93 -1.39 0.10 0.00 0.00 0.00 0.00 30.24 29.87 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 -1.79 2.10 0.67 2.61 0.00 -0.64 -4.97 121.76 119.73 1wr8 s ALA 197 Ca 0.32 0.75 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1wr8 s ALA 197 Cb 0.17 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1wr8 s ALA 197 CO 0.26 -1.89 1.13 -1.25 0.00 0.00 0.00 175.76 174.01 1wr8 s PRO 198 N -4.10 2.68 0.28 0.00 0.04 -1.26 -4.81 135.00 127.83 1wr8 s PRO 198 Ca 0.71 1.48 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1wr8 s PRO 198 Cb -0.26 -1.93 0.67 0.00 0.04 0.00 0.00 34.50 33.02 1wr8 s PRO 198 CO 0.47 -1.36 1.71 -0.22 0.04 0.00 0.00 177.00 177.64 1wr8 h LYS 199 N 0.00 0.43 -0.94 4.56 3.64 -1.99 -0.88 116.57 121.40 1wr8 h LYS 199 Ca -0.47 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1wr8 h LYS 199 Cb 1.26 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 1wr8 h LYS 199 CO 0.53 0.28 0.60 0.97 -2.27 0.00 0.00 179.45 179.57 1wr8 h ILE 200 N 0.44 0.99 0.04 2.00 6.09 -2.00 -0.98 117.51 124.09 1wr8 h ILE 200 Ca 0.53 -0.33 -0.20 0.00 -1.37 0.00 0.00 64.86 63.48 1wr8 h ILE 200 Cb 0.94 -0.07 0.02 0.00 0.47 0.00 0.00 36.82 38.18 1wr8 h ILE 200 CO -0.49 0.18 -0.82 0.25 -3.07 0.00 0.00 178.15 174.20 1wr8 h LEU 201 N 0.97 0.65 -0.90 2.19 5.85 -1.51 -3.31 115.31 119.26 1wr8 h LEU 201 Ca 0.43 -0.79 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1wr8 h LEU 201 Cb 0.37 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1wr8 h LEU 201 CO -0.19 1.37 0.59 0.11 -0.34 0.00 0.00 178.44 179.98 1wr8 h LYS 202 N 0.01 1.14 0.00 1.25 1.57 -1.03 -1.87 116.57 117.65 1wr8 h LYS 202 Ca -0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1wr8 h LYS 202 Cb 1.53 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1wr8 h LYS 202 CO 0.16 0.75 0.00 0.93 -0.57 0.00 0.00 179.45 180.72 1wr8 h GLU 203 N 1.18 0.00 -0.22 3.15 5.08 -1.28 -2.05 114.58 120.43 1wr8 h GLU 203 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1wr8 h GLU 203 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1wr8 h GLU 203 CO -0.10 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.00 1wr8 n ASN 204 N -2.63 2.54 -4.88 1.42 3.02 -0.74 -5.01 115.26 108.97 1wr8 n ASN 204 Ca -0.01 -1.83 -0.31 0.00 -0.03 0.00 0.00 54.58 52.40 1wr8 n ASN 204 Cb 0.13 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.11 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 -0.95 3.57 0.13 5.41 0.00 -0.77 -4.91 121.76 124.24 1wr8 s ALA 205 Ca 0.18 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 51.89 1wr8 s ALA 205 Cb 0.10 -2.42 -0.15 0.00 0.00 0.00 0.00 23.12 20.66 1wr8 s ALA 205 CO 0.14 0.44 1.32 -0.44 0.00 0.00 0.00 175.76 177.21 1wr8 h ASP 206 N 2.34 0.00 -3.74 0.00 3.32 -0.76 -3.45 116.42 114.12 1wr8 h ASP 206 Ca -0.47 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.43 1wr8 h ASP 206 Cb 1.17 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 1wr8 h ASP 206 CO 0.68 0.95 -0.37 -0.47 -1.72 0.00 0.00 179.24 178.32 1wr8 s TYR 207 N -2.81 -0.36 -0.18 4.55 5.04 -0.99 -5.04 117.35 117.57 1wr8 s TYR 207 Ca 0.01 0.85 -0.00 0.00 -2.44 0.00 0.00 57.07 55.49 1wr8 s TYR 207 Cb 0.10 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.54 1wr8 s TYR 207 CO 0.81 -0.18 -0.15 0.08 -1.34 0.00 0.00 175.55 174.77 1wr8 s VAL 208 N 0.38 2.53 0.75 3.14 1.01 -1.26 -1.80 120.40 125.15 1wr8 s VAL 208 Ca -0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1wr8 s VAL 208 Cb -0.04 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1wr8 s VAL 208 CO -0.02 0.51 1.11 0.42 0.00 0.00 0.00 175.10 177.13 1wr8 s THR 209 N 1.14 3.06 0.08 3.92 -4.23 -0.47 -4.94 115.64 114.20 1wr8 s THR 209 Ca 0.01 0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 1wr8 s THR 209 Cb -0.14 -2.86 -0.27 0.00 1.34 0.00 0.00 72.50 70.57 1wr8 s THR 209 CO -0.06 -0.39 1.17 0.11 -0.54 0.00 0.00 174.62 174.91 1wr8 h LYS 210 N -0.77 0.22 -6.38 3.99 1.57 -1.94 -3.27 116.57 109.99 1wr8 h LYS 210 Ca -0.45 -0.37 -0.50 0.00 -1.87 0.00 0.00 60.65 57.46 1wr8 h LYS 210 Cb 1.25 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 1wr8 h LYS 210 CO 0.51 1.18 -0.25 0.15 -0.57 0.00 0.00 179.45 180.46 1wr8 s LYS 211 N -2.67 3.52 0.29 3.15 -0.14 -1.26 -4.76 119.74 117.87 1wr8 s LYS 211 Ca -0.03 -0.31 0.06 0.00 -1.36 0.00 0.00 55.97 54.33 1wr8 s LYS 211 Cb 0.08 -2.74 -0.02 0.00 -1.68 0.00 0.00 37.83 33.47 1wr8 s LYS 211 CO 0.87 0.27 0.42 -1.21 -0.76 0.00 0.00 175.35 174.94 1wr8 s GLU 212 N -3.79 3.27 2.80 1.68 2.02 -1.26 -2.15 118.70 121.27 1wr8 s GLU 212 Ca 0.40 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1wr8 s GLU 212 Cb -0.10 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1wr8 s GLU 212 CO 0.32 0.23 0.00 0.66 0.02 0.00 0.00 175.26 176.49 1wr8 n TYR 213 N -1.53 0.00 -0.31 1.61 4.01 -1.25 -2.49 117.16 117.20 1wr8 n TYR 213 Ca -0.04 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.82 1wr8 n TYR 213 Cb 0.58 0.03 0.29 0.00 -0.31 0.00 0.00 39.34 39.93 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 1.57 1.57 2.72 0.00 -1.28 0.21 103.07 107.87 1wr8 h GLY 214 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 1wr8 h GLY 214 CO 0.00 -0.16 -0.05 -2.09 0.00 0.00 0.00 176.54 174.24 1wr8 h GLU 215 N 0.55 0.52 -0.45 4.80 4.81 -1.82 -1.28 114.58 121.71 1wr8 h GLU 215 Ca 0.54 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.53 1wr8 h GLU 215 Cb 0.93 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1wr8 h GLU 215 CO -0.45 0.59 -0.16 0.78 -0.73 0.00 0.00 179.01 179.04 1wr8 h GLY 216 N 0.88 0.99 0.97 1.92 0.00 -0.35 -1.54 103.07 105.94 1wr8 h GLY 216 Ca 0.10 -0.85 0.01 0.00 0.00 0.00 0.00 47.33 46.59 1wr8 h GLY 216 CO 0.02 0.78 0.50 -1.33 0.00 0.00 0.00 176.54 176.50 1wr8 h GLY 217 N 0.75 1.07 0.93 4.60 0.00 -0.44 0.13 103.07 110.11 1wr8 h GLY 217 Ca 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1wr8 h GLY 217 CO 0.06 0.37 0.13 0.00 0.00 0.00 0.00 176.54 177.10 1wr8 h ALA 218 N 1.29 0.37 -0.91 3.60 0.00 -1.07 -1.30 119.26 121.23 1wr8 h ALA 218 Ca 0.28 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1wr8 h ALA 218 Cb -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1wr8 h ALA 218 CO -0.07 -0.07 0.59 1.49 0.00 0.00 0.00 179.25 181.19 1wr8 h GLU 219 N 0.32 1.13 -0.14 0.00 4.81 -0.77 -1.29 114.58 118.65 1wr8 h GLU 219 Ca 0.10 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1wr8 h GLU 219 Cb 0.13 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1wr8 h GLU 219 CO -0.01 0.75 0.07 0.00 -0.73 0.00 0.00 179.01 179.09 1wr8 h ALA 220 N 1.36 0.18 -0.32 2.92 0.00 -0.46 -0.62 119.26 122.32 1wr8 h ALA 220 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1wr8 h ALA 220 Cb -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1wr8 h ALA 220 CO -0.11 -0.27 0.20 0.82 0.00 0.00 0.00 179.25 179.89 1wr8 h ILE 221 N 0.11 1.10 -0.29 0.00 2.04 -0.79 -1.47 117.51 118.21 1wr8 h ILE 221 Ca 0.05 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1wr8 h ILE 221 Cb 0.10 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1wr8 h ILE 221 CO -0.01 0.10 -0.15 1.88 0.00 0.00 0.00 178.15 179.96 1wr8 h TYR 222 N 0.42 0.55 -0.75 1.37 0.05 -1.17 -0.47 116.97 116.97 1wr8 h TYR 222 Ca 0.12 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1wr8 h TYR 222 Cb -0.02 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 1wr8 h TYR 222 CO -0.05 0.64 0.29 1.25 -1.05 0.00 0.00 178.16 179.24 1wr8 h HIS 223 N 0.47 1.15 -0.16 4.88 2.76 -0.73 -0.67 115.15 122.85 1wr8 h HIS 223 Ca 0.08 -0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.12 1wr8 h HIS 223 Cb 0.54 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1wr8 h HIS 223 CO 0.02 0.88 -0.06 0.82 -1.30 0.00 0.00 177.93 178.29 1wr8 h ILE 224 N 1.09 1.31 -0.83 6.26 2.04 -0.86 -0.32 117.51 126.19 1wr8 h ILE 224 Ca 0.25 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1wr8 h ILE 224 Cb 0.23 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 1wr8 h ILE 224 CO -0.02 0.32 0.55 -0.07 0.00 0.00 0.00 178.15 178.93 1wr8 h LEU 225 N 0.01 0.94 0.07 1.44 3.38 -0.93 -2.03 115.31 118.18 1wr8 h LEU 225 Ca 0.04 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wr8 h LEU 225 Cb 0.53 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wr8 h LEU 225 CO 0.02 0.67 -0.03 -0.08 0.09 0.00 0.00 178.44 179.11 1wr8 h GLU 226 N 1.10 -0.09 -0.91 1.13 4.81 -1.02 0.17 114.58 119.77 1wr8 h GLU 226 Ca 0.31 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.67 1wr8 h GLU 226 Cb -0.08 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.25 1wr8 h GLU 226 CO -0.08 0.45 0.58 -0.22 -0.73 0.00 0.00 179.01 179.02 1wr8 h LYS 227 N -0.73 0.78 -0.77 1.92 3.64 -0.93 -2.05 116.57 118.44 1wr8 h LYS 227 Ca -0.01 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 1wr8 h LYS 227 Cb 0.59 -0.18 -0.10 0.00 -0.41 0.00 0.00 32.23 32.13 1wr8 h LYS 227 CO 0.02 0.52 0.22 1.19 -2.27 0.00 0.00 179.45 179.12 1wr8 n PHE 228 N -4.56 2.21 -3.09 1.91 3.72 -0.78 -4.95 117.46 111.92 1wr8 n PHE 228 Ca 0.17 -1.05 -0.21 0.00 -0.05 0.00 0.00 57.45 56.32 1wr8 n PHE 228 Cb 0.39 -0.62 0.04 0.00 -0.94 0.00 0.00 39.48 38.35 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 -0.01 -0.40 0.02 1.37 0.00 -0.77 -4.94 105.19 100.46 1wr8 n GLY 229 Ca 0.36 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 -4.50 0.00 1.95 1.61 4.02 0.57 -5.04 117.16 115.77 1wr8 n TYR 230 Ca -0.07 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.98 1wr8 n TYR 230 Cb 0.59 -0.53 0.91 0.00 -0.02 0.00 0.00 39.34 40.30 1wr8 n TYR 230 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13