#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 s ASN 5 N 0.00 5.93 -0.15 4.39 0.01 -1.26 -5.10 114.94 118.76 2wb1 s ASN 5 Ca 0.00 0.26 -0.17 0.00 -0.71 0.00 0.00 52.86 52.25 2wb1 s ASN 5 Cb 0.00 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 2wb1 s ASN 5 CO 0.00 -0.60 0.42 -0.63 -1.51 0.00 0.00 177.10 174.77 2wb1 s ILE 6 N -2.48 5.22 -0.21 0.60 1.01 -1.26 -5.00 121.20 119.09 2wb1 s ILE 6 Ca 0.47 0.81 -0.20 0.00 0.00 0.00 0.00 60.65 61.72 2wb1 s ILE 6 Cb -0.10 -3.75 -0.17 0.00 0.01 0.00 0.00 42.46 38.44 2wb1 s ILE 6 CO 0.37 0.33 0.13 1.17 0.00 0.00 0.00 174.94 176.94 2wb1 n LYS 7 N 3.82 0.56 -0.83 2.79 4.81 -1.26 -5.09 118.16 122.96 2wb1 n LYS 7 Ca -0.08 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 2wb1 n LYS 7 Cb 0.52 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.84 2wb1 n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wb1 n GLY 8 N 1.43 2.02 2.86 3.14 0.00 -1.26 -5.17 105.19 108.21 2wb1 n GLY 8 Ca -0.32 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 2wb1 n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 9 N -2.86 0.27 -0.23 -0.61 1.01 -1.26 -5.13 121.20 112.39 2wb1 s ILE 9 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 2wb1 s ILE 9 Cb 0.00 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 2wb1 s ILE 9 CO 0.00 0.14 0.23 -0.54 0.00 0.00 0.00 174.94 174.77 2wb1 s LYS 10 N 0.71 4.09 0.11 2.79 1.02 -1.26 -5.09 119.74 122.12 2wb1 s LYS 10 Ca -0.08 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 2wb1 s LYS 10 Cb -0.11 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.61 2wb1 s LYS 10 CO -0.01 0.02 0.30 -0.06 -0.92 0.00 0.00 175.35 174.68 2wb1 s PHE 11 N 1.15 3.50 0.00 3.18 0.40 -1.26 -5.09 117.98 119.86 2wb1 s PHE 11 Ca 0.11 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 2wb1 s PHE 11 Cb -0.14 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.53 2wb1 s PHE 11 CO 0.06 0.51 0.00 0.41 0.70 0.00 0.00 175.22 176.89 2wb1 n GLY 12 N 0.09 -0.41 3.71 4.36 0.00 -1.26 -4.77 105.19 106.91 2wb1 n GLY 12 Ca -0.04 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 2wb1 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 13 N -2.00 5.33 -0.03 -0.61 1.01 -1.20 -4.89 121.20 118.81 2wb1 s ILE 13 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 2wb1 s ILE 13 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.83 2wb1 s ILE 13 CO 0.00 0.38 1.71 -0.22 0.00 0.00 0.00 174.94 176.80 2wb1 s LEU 14 N 0.64 4.34 0.18 2.97 2.96 -1.26 -4.54 118.68 123.97 2wb1 s LEU 14 Ca 0.13 2.32 -0.28 0.00 -0.22 0.00 0.00 54.13 56.09 2wb1 s LEU 14 Cb -0.13 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 2wb1 s LEU 14 CO 0.03 -0.94 0.87 -0.94 -1.32 0.00 0.00 176.35 174.05 2wb1 s SER 15 N 3.46 7.50 0.51 3.68 1.04 -1.26 -4.92 113.70 123.71 2wb1 s SER 15 Ca 0.76 1.78 0.30 0.00 0.48 0.00 0.00 55.95 59.27 2wb1 s SER 15 Cb -0.35 -2.56 1.42 0.00 0.10 0.00 0.00 66.02 64.63 2wb1 s SER 15 CO 0.32 0.13 1.84 -0.65 0.98 0.00 0.00 173.24 175.86 2wb1 h PRO 16 N 4.53 0.09 0.61 4.02 0.11 -1.91 -2.76 132.00 136.69 2wb1 h PRO 16 Ca -0.45 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 2wb1 h PRO 16 Cb 1.20 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wb1 h PRO 16 CO 0.68 0.06 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.80 2wb1 h ASP 17 N 0.09 -0.69 -0.24 -2.05 3.32 -2.00 -2.88 116.42 111.97 2wb1 h ASP 17 Ca 0.50 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.63 2wb1 h ASP 17 Cb 1.83 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 41.49 2wb1 h ASP 17 CO -0.06 -0.46 -0.40 -0.33 -1.72 0.00 0.00 179.24 176.26 2wb1 h GLU 18 N -0.89 -0.40 -0.78 3.56 5.08 -1.92 -1.81 114.58 117.41 2wb1 h GLU 18 Ca -0.08 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2wb1 h GLU 18 Cb 0.63 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.85 2wb1 h GLU 18 CO 0.14 -0.26 -0.37 -0.89 -1.00 0.00 0.00 179.01 176.62 2wb1 n ILE 19 N -5.42 -0.46 0.15 3.13 5.41 -1.06 -0.98 119.36 120.13 2wb1 n ILE 19 Ca -0.03 1.86 -0.14 0.00 1.00 0.00 0.00 62.75 65.45 2wb1 n ILE 19 Cb 0.35 -2.39 -0.08 0.00 -0.71 0.00 0.00 39.64 36.81 2wb1 n ILE 19 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2wb1 h ARG 20 N 0.00 -0.33 -6.03 0.38 3.08 -1.17 -3.43 114.38 106.88 2wb1 h ARG 20 Ca 0.21 0.02 -0.85 0.00 0.07 0.00 0.00 59.98 59.44 2wb1 h ARG 20 Cb 0.41 0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.54 2wb1 h ARG 20 CO -0.76 -0.11 0.75 1.63 -1.07 0.00 0.00 179.97 180.41 2wb1 n LYS 21 N -5.17 0.24 0.00 0.04 4.01 -0.15 -2.80 118.16 114.32 2wb1 n LYS 21 Ca -0.10 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 2wb1 n LYS 21 Cb 0.21 -1.63 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 2wb1 n LYS 21 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2wb1 n MET 22 N 4.38 0.00 -0.54 1.97 2.81 -1.26 -4.90 117.12 119.58 2wb1 n MET 22 Ca 0.31 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.91 2wb1 n MET 22 Cb -0.02 -2.02 0.26 0.00 -0.71 0.00 0.00 33.22 30.73 2wb1 n MET 22 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2wb1 s SER 23 N -0.06 0.23 -0.09 7.83 0.01 -1.12 -5.02 113.70 115.47 2wb1 s SER 23 Ca 0.00 1.19 -0.05 0.00 1.31 0.00 0.00 55.95 58.40 2wb1 s SER 23 Cb 0.00 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 2wb1 s SER 23 CO 0.00 -4.62 0.12 0.68 0.41 0.00 0.00 173.24 169.83 2wb1 s VAL 24 N -2.45 5.26 -0.22 3.43 -7.23 -1.12 -5.02 120.40 113.05 2wb1 s VAL 24 Ca 0.68 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.92 2wb1 s VAL 24 Cb -0.20 -3.31 0.04 0.00 0.56 0.00 0.00 36.38 33.47 2wb1 s VAL 24 CO 0.62 0.56 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.92 2wb1 s THR 25 N -1.06 2.16 0.51 5.32 2.01 -1.26 -2.32 115.64 121.01 2wb1 s THR 25 Ca 0.17 -1.27 -0.23 0.00 0.31 0.00 0.00 61.69 60.67 2wb1 s THR 25 Cb -0.12 -2.09 -0.06 0.00 0.01 0.00 0.00 72.50 70.24 2wb1 s THR 25 CO 0.06 0.26 1.40 0.00 -0.69 0.00 0.00 174.62 175.65 2wb1 s ALA 26 N 1.20 2.98 0.00 7.40 0.00 -0.88 -4.83 121.76 127.64 2wb1 s ALA 26 Ca -0.02 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2wb1 s ALA 26 Cb -0.16 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2wb1 s ALA 26 CO -0.09 -1.35 0.00 -0.89 0.00 0.00 0.00 175.76 173.43 2wb1 n ILE 27 N -0.74 0.00 -3.85 0.00 5.41 -1.26 -4.74 119.36 114.19 2wb1 n ILE 27 Ca 0.08 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.58 2wb1 n ILE 27 Cb 0.43 -0.52 -0.01 0.00 -0.71 0.00 0.00 39.64 38.84 2wb1 n ILE 27 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2wb1 s ILE 28 N -1.69 1.75 -0.14 1.39 1.01 -1.24 -5.12 121.20 117.16 2wb1 s ILE 28 Ca 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 60.65 59.02 2wb1 s ILE 28 Cb 0.00 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 2wb1 s ILE 28 CO 0.00 0.00 -0.30 0.41 0.00 0.00 0.00 174.94 175.05 2wb1 n THR 29 N -1.75 1.45 0.17 2.92 -1.04 -1.26 -4.86 114.28 109.91 2wb1 n THR 29 Ca -0.01 0.16 0.06 0.00 -2.04 0.00 0.00 64.05 62.23 2wb1 n THR 29 Cb 0.64 -2.22 0.08 0.00 -1.82 0.00 0.00 70.33 67.01 2wb1 n THR 29 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2wb1 h PRO 30 N -0.84 0.00 0.00 -2.82 0.13 -2.00 -3.50 132.00 122.97 2wb1 h PRO 30 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2wb1 h PRO 30 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2wb1 h PRO 30 CO -0.01 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 178.46 2wb1 n GLY 42 N 1.18 0.00 0.01 1.56 0.00 -1.26 -5.03 105.19 101.66 2wb1 n GLY 42 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wb1 n GLY 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wb1 n SER 43 N -1.67 4.04 -3.85 1.61 3.41 -1.26 -4.67 113.62 111.24 2wb1 n SER 43 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2wb1 n SER 43 Cb 0.00 0.82 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 2wb1 n SER 43 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2wb1 n VAL 44 N -1.96 2.66 0.00 -3.33 0.31 -1.26 -4.46 118.33 110.29 2wb1 n VAL 44 Ca -0.04 -5.15 0.00 0.00 -0.01 0.00 0.00 64.34 59.13 2wb1 n VAL 44 Cb 0.43 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 2wb1 n VAL 44 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2wb1 n MET 45 N 1.70 0.00 0.00 5.55 0.00 -1.26 -3.64 117.12 119.47 2wb1 n MET 45 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.94 2wb1 n MET 45 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.59 2wb1 n MET 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2wb1 n ASP 46 N -0.81 4.11 -4.92 6.12 9.92 -1.26 -5.00 116.55 124.70 2wb1 n ASP 46 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 2wb1 n ASP 46 Cb 0.00 0.64 0.04 0.00 -0.64 0.00 0.00 41.12 41.16 2wb1 n ASP 46 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2wb1 s PRO 47 N -1.72 2.67 0.00 -0.24 0.04 -1.26 -4.07 135.00 130.41 2wb1 s PRO 47 Ca 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2wb1 s PRO 47 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2wb1 s PRO 47 CO 0.00 -0.89 0.00 0.54 0.04 0.00 0.00 177.00 176.69 2wb1 n ARG 48 N -2.70 -0.63 0.00 4.56 1.74 -1.26 -4.81 116.66 113.55 2wb1 n ARG 48 Ca 0.06 0.16 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 2wb1 n ARG 48 Cb 0.59 -3.67 0.01 0.00 -1.02 0.00 0.00 32.46 28.36 2wb1 n ARG 48 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wb1 n LEU 49 N 0.00 1.29 0.00 0.55 4.77 -1.26 -4.62 117.00 117.73 2wb1 n LEU 49 Ca 0.00 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2wb1 n LEU 49 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2wb1 n LEU 49 CO 0.00 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2wb1 n GLY 50 N 0.78 2.07 3.08 -0.72 0.00 -1.26 -3.34 105.19 105.80 2wb1 n GLY 50 Ca 0.04 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 2wb1 n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wb1 s VAL 51 N -1.58 2.04 0.19 1.61 -7.23 -1.25 -4.87 120.40 109.31 2wb1 s VAL 51 Ca 0.00 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 58.74 2wb1 s VAL 51 Cb 0.00 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 2wb1 s VAL 51 CO 0.00 0.25 0.67 0.27 -0.31 0.00 0.00 175.10 175.98 2wb1 s ILE 52 N 1.23 4.65 0.46 -0.62 -4.36 -1.26 -4.42 121.20 116.87 2wb1 s ILE 52 Ca -0.02 1.18 0.00 0.00 -0.26 0.00 0.00 60.65 61.55 2wb1 s ILE 52 Cb -0.16 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.70 2wb1 s ILE 52 CO -0.09 0.26 0.00 -0.62 0.24 0.00 0.00 174.94 174.73 2wb1 n GLU 53 N 0.86 -2.46 -0.77 0.37 1.02 -1.26 -4.96 120.64 113.44 2wb1 n GLU 53 Ca -0.04 2.02 -0.29 0.00 -0.02 0.00 0.00 57.16 58.83 2wb1 n GLU 53 Cb 0.51 -2.86 0.24 0.00 -0.02 0.00 0.00 31.44 29.32 2wb1 n GLU 53 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 54 N -4.00 -1.30 0.00 3.49 0.04 -1.26 -4.65 135.00 127.32 2wb1 s PRO 54 Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2wb1 s PRO 54 Cb 0.00 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2wb1 s PRO 54 CO 0.00 -3.85 0.00 0.41 0.04 0.00 0.00 177.00 173.60 2wb1 n GLY 55 N 0.09 0.87 0.00 0.56 0.00 -1.26 -5.01 105.19 100.43 2wb1 n GLY 55 Ca 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2wb1 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wb1 n GLN 56 N 0.00 3.55 -2.38 1.61 6.02 -1.26 -4.74 117.38 120.17 2wb1 n GLN 56 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 2wb1 n GLN 56 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 2wb1 n GLN 56 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wb1 n LYS 57 N 0.00 0.79 -3.81 -1.09 5.02 -1.26 -2.92 118.16 114.89 2wb1 n LYS 57 Ca 0.00 -2.01 -0.35 0.00 -2.02 0.00 0.00 58.31 53.93 2wb1 n LYS 57 Cb 0.00 -0.08 -0.09 0.00 -0.02 0.00 0.00 35.03 34.84 2wb1 n LYS 57 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb1 h PRO 59 N 7.07 0.00 0.00 0.00 0.11 -1.95 -2.50 132.00 134.73 2wb1 h PRO 59 Ca -0.38 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2wb1 h PRO 59 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2wb1 h PRO 59 CO 0.69 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 177.93 2wb1 h THR 60 N 0.00 0.41 0.00 -1.15 1.03 -1.94 -3.45 112.91 107.81 2wb1 h THR 60 Ca 0.00 -1.43 0.00 0.00 -0.01 0.00 0.00 66.41 64.97 2wb1 h THR 60 Cb 0.27 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 2wb1 h THR 60 CO 0.00 0.14 -0.19 0.00 -0.01 0.00 0.00 175.52 175.46 2wb1 n GLY 62 N 2.91 1.47 3.80 0.00 0.00 -0.95 -4.85 105.19 107.58 2wb1 n GLY 62 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2wb1 n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wb1 s ASN 63 N -1.47 7.14 0.44 1.61 0.02 -1.26 -4.25 114.94 117.17 2wb1 s ASN 63 Ca 0.00 1.75 -0.22 0.00 -1.02 0.00 0.00 52.86 53.37 2wb1 s ASN 63 Cb 0.00 -2.55 -0.09 0.00 0.02 0.00 0.00 41.25 38.63 2wb1 s ASN 63 CO 0.00 -0.20 1.04 -0.89 0.02 0.00 0.00 177.10 177.06 2wb1 s THR 64 N -1.88 3.81 0.00 1.60 2.01 -1.26 -3.58 115.64 116.33 2wb1 s THR 64 Ca 0.55 1.23 0.00 0.00 0.31 0.00 0.00 61.69 63.79 2wb1 s THR 64 Cb -0.14 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.81 2wb1 s THR 64 CO 0.19 -0.14 0.00 0.18 -0.69 0.00 0.00 174.62 174.16 2wb1 n LEU 65 N -0.56 0.00 -1.44 4.42 4.77 -1.15 -3.18 117.00 119.87 2wb1 n LEU 65 Ca 0.07 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 2wb1 n LEU 65 Cb 0.51 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.80 2wb1 n LEU 65 CO 0.42 0.00 0.72 0.61 -1.33 0.00 0.00 177.39 177.80 2wb1 n GLY 66 N 0.00 2.69 2.20 -0.72 0.00 -1.26 -4.28 105.19 103.81 2wb1 n GLY 66 Ca 0.00 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2wb1 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wb1 n ASN 67 N 0.13 6.02 -2.85 1.61 5.15 -1.19 -4.57 115.26 119.56 2wb1 n ASN 67 Ca 0.22 -3.74 -0.11 0.00 -0.60 0.00 0.00 54.58 50.35 2wb1 n ASN 67 Cb 0.92 -0.87 0.06 0.00 -0.53 0.00 0.00 39.78 39.36 2wb1 n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wb1 s PRO 69 N -0.73 2.64 0.00 0.00 0.04 -1.26 -3.84 135.00 131.85 2wb1 s PRO 69 Ca 0.27 -1.36 0.00 0.00 0.04 0.00 0.00 61.00 59.95 2wb1 s PRO 69 Cb 0.33 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2wb1 s PRO 69 CO -0.06 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2wb1 n GLY 70 N -1.33 0.77 3.00 0.56 0.00 -1.26 -5.05 105.19 101.89 2wb1 n GLY 70 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2wb1 n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wb1 s HIS 71 N -1.04 2.13 0.12 1.61 3.76 -1.21 -5.02 115.29 115.64 2wb1 s HIS 71 Ca 0.00 -1.22 -0.18 0.00 -0.15 0.00 0.00 55.06 53.51 2wb1 s HIS 71 Cb 0.00 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.06 2wb1 s HIS 71 CO 0.00 -0.66 0.59 -0.06 -0.85 0.00 0.00 174.74 173.75 2wb1 s PHE 72 N 1.50 3.72 0.32 1.40 0.40 -1.26 -3.64 117.98 120.41 2wb1 s PHE 72 Ca 0.04 1.23 0.07 0.00 -0.60 0.00 0.00 56.93 57.66 2wb1 s PHE 72 Cb -0.13 -2.48 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 2wb1 s PHE 72 CO -0.10 0.50 0.38 0.20 0.70 0.00 0.00 175.22 176.89 2wb1 s GLY 73 N -1.40 1.59 -0.01 4.36 0.00 0.64 -2.79 107.32 109.71 2wb1 s GLY 73 Ca 0.34 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.58 2wb1 s GLY 73 CO 0.19 -1.43 -0.02 0.30 0.00 0.00 0.00 173.10 172.14 2wb1 s HIS 74 N -2.19 0.24 -0.13 1.90 0.09 -0.98 0.13 115.29 114.35 2wb1 s HIS 74 Ca 0.41 -0.03 -0.00 0.00 -0.00 0.00 0.00 55.06 55.44 2wb1 s HIS 74 Cb -0.08 -0.19 0.02 0.00 -0.00 0.00 0.00 32.58 32.33 2wb1 s HIS 74 CO 0.29 -0.03 -0.11 0.42 -0.00 0.00 0.00 174.74 175.32 2wb1 s ILE 75 N 0.13 1.31 -0.27 0.60 1.01 -0.71 -2.06 121.20 121.21 2wb1 s ILE 75 Ca -0.01 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.96 2wb1 s ILE 75 Cb -0.03 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2wb1 s ILE 75 CO -0.00 0.40 0.60 -1.61 0.00 0.00 0.00 174.94 174.32 2wb1 s GLU 76 N 1.59 4.05 0.21 2.79 2.02 -1.26 -1.55 118.70 126.55 2wb1 s GLU 76 Ca 0.05 0.43 -0.30 0.00 0.02 0.00 0.00 54.97 55.17 2wb1 s GLU 76 Cb -0.13 -3.67 -0.08 0.00 0.10 0.00 0.00 34.13 30.35 2wb1 s GLU 76 CO -0.09 -0.44 0.99 -0.51 0.02 0.00 0.00 175.26 175.23 2wb1 s LEU 77 N 2.48 4.58 -0.45 1.80 2.01 0.13 -5.00 118.68 124.23 2wb1 s LEU 77 Ca 0.25 1.99 -0.11 0.00 0.01 0.00 0.00 54.13 56.27 2wb1 s LEU 77 Cb -0.15 -3.61 0.09 0.00 0.01 0.00 0.00 46.19 42.53 2wb1 s LEU 77 CO 0.09 0.01 0.33 0.54 1.01 0.00 0.00 176.35 178.33 2wb1 s VAL 78 N -0.83 4.50 0.00 -1.59 0.11 -1.26 -4.70 120.40 116.63 2wb1 s VAL 78 Ca 0.44 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2wb1 s VAL 78 Cb -0.27 -3.80 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2wb1 s VAL 78 CO 0.34 -0.61 0.00 0.54 -3.33 0.00 0.00 175.10 172.03 2wb1 n ARG 79 N 5.00 0.00 -1.18 1.54 3.00 -1.26 -4.90 116.66 118.86 2wb1 n ARG 79 Ca -0.10 0.23 -0.36 0.00 -0.01 0.00 0.00 57.85 57.61 2wb1 n ARG 79 Cb 0.42 -0.46 0.07 0.00 0.00 0.00 0.00 32.46 32.49 2wb1 n ARG 79 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 2wb1 n PRO 80 N 0.38 0.17 -5.12 5.56 -0.02 -1.26 -4.98 135.00 129.73 2wb1 n PRO 80 Ca 0.00 0.09 -0.29 0.00 -2.02 0.00 0.00 63.50 61.28 2wb1 n PRO 80 Cb 0.00 -1.68 -0.16 0.00 -0.02 0.00 0.00 33.50 31.64 2wb1 n PRO 80 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wb1 s VAL 81 N -1.99 1.81 0.29 -1.45 1.01 -1.05 -4.53 120.40 114.49 2wb1 s VAL 81 Ca 0.61 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 2wb1 s VAL 81 Cb -0.33 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.43 2wb1 s VAL 81 CO 0.62 0.51 1.09 -0.63 0.00 0.00 0.00 175.10 176.69 2wb1 s ILE 82 N -0.32 3.54 -0.34 2.22 1.01 -1.26 -1.59 121.20 124.44 2wb1 s ILE 82 Ca 0.03 1.52 -0.22 0.00 0.00 0.00 0.00 60.65 61.98 2wb1 s ILE 82 Cb -0.11 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.41 2wb1 s ILE 82 CO 0.01 0.34 0.70 -2.28 0.00 0.00 0.00 174.94 173.71 2wb1 s HIS 83 N -1.20 3.16 0.40 3.97 5.65 -1.26 -4.72 115.29 121.29 2wb1 s HIS 83 Ca 0.45 0.52 0.13 0.00 0.25 0.00 0.00 55.06 56.42 2wb1 s HIS 83 Cb -0.31 -3.20 0.97 0.00 -1.18 0.00 0.00 32.58 28.86 2wb1 s HIS 83 CO 0.39 -0.62 1.89 -0.39 -0.65 0.00 0.00 174.74 175.37 2wb1 h VAL 84 N 5.66 0.80 -0.12 0.89 -1.51 -1.92 -1.50 116.25 118.55 2wb1 h VAL 84 Ca -0.26 -0.18 0.01 0.00 -1.23 0.00 0.00 66.70 65.05 2wb1 h VAL 84 Cb 1.10 0.24 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 2wb1 h VAL 84 CO 0.86 0.09 0.04 1.23 -1.23 0.00 0.00 177.57 178.56 2wb1 h GLY 85 N 0.51 0.14 -3.37 5.19 0.00 -1.96 -2.78 103.07 100.80 2wb1 h GLY 85 Ca 0.41 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.57 2wb1 h GLY 85 CO -0.16 0.02 0.19 0.69 0.00 0.00 0.00 176.54 177.28 2wb1 n PHE 86 N -5.06 2.07 0.24 5.60 3.72 -0.73 -4.48 117.46 118.83 2wb1 n PHE 86 Ca -0.05 -0.96 0.13 0.00 -0.05 0.00 0.00 57.45 56.52 2wb1 n PHE 86 Cb 0.05 -0.59 0.51 0.00 -0.94 0.00 0.00 39.48 38.52 2wb1 n PHE 86 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 2wb1 h VAL 87 N 2.58 0.30 0.00 -4.37 3.04 -1.01 0.28 116.25 117.07 2wb1 h VAL 87 Ca 0.18 -0.90 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2wb1 h VAL 87 Cb 2.05 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 33.03 2wb1 h VAL 87 CO 0.60 0.12 -0.76 2.29 -1.01 0.00 0.00 177.57 178.81 2wb1 n LYS 88 N -3.25 0.16 -0.04 4.17 0.00 -1.26 -2.95 118.16 114.99 2wb1 n LYS 88 Ca 0.01 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.19 2wb1 n LYS 88 Cb 0.40 -1.57 -0.14 0.00 -0.00 0.00 0.00 35.03 33.72 2wb1 n LYS 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2wb1 n HIS 89 N -1.78 0.78 -0.15 5.58 8.25 -0.91 -3.25 115.22 123.73 2wb1 n HIS 89 Ca 0.04 0.22 -0.08 0.00 -0.26 0.00 0.00 57.72 57.64 2wb1 n HIS 89 Cb 0.39 -1.12 0.01 0.00 1.12 0.00 0.00 29.99 30.39 2wb1 n HIS 89 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2wb1 h VAL 90 N 0.02 1.14 0.00 1.59 2.07 -0.60 -2.82 116.25 117.64 2wb1 h VAL 90 Ca -0.41 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2wb1 h VAL 90 Cb 2.05 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2wb1 h VAL 90 CO 0.05 0.14 -0.08 0.22 0.02 0.00 0.00 177.57 177.91 2wb1 h TYR 91 N 0.62 0.00 0.04 1.57 5.03 -1.67 -2.77 116.97 119.79 2wb1 h TYR 91 Ca 0.17 0.00 -0.25 0.00 2.58 0.00 0.00 58.73 61.23 2wb1 h TYR 91 Cb -0.03 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.26 2wb1 h TYR 91 CO -0.03 0.08 -1.04 0.93 -1.32 0.00 0.00 178.16 176.78 2wb1 h GLU 92 N 0.00 0.45 -0.90 1.82 5.08 -1.49 -3.27 114.58 116.28 2wb1 h GLU 92 Ca -0.00 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2wb1 h GLU 92 Cb 0.15 0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2wb1 h GLU 92 CO 0.01 1.19 0.59 0.74 -1.00 0.00 0.00 179.01 180.54 2wb1 h PHE 93 N 0.23 1.13 0.00 4.33 0.05 -1.25 -1.56 116.94 119.88 2wb1 h PHE 93 Ca -0.11 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.71 2wb1 h PHE 93 Cb 1.70 -0.38 0.00 0.00 2.00 0.00 0.00 35.95 39.27 2wb1 h PHE 93 CO 0.07 0.71 0.00 -0.07 -0.18 0.00 0.00 178.31 178.85 2wb1 h LEU 94 N 1.22 0.00 -0.63 1.54 3.38 -1.58 -1.68 115.31 117.56 2wb1 h LEU 94 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2wb1 h LEU 94 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2wb1 h LEU 94 CO -0.07 0.00 -0.05 0.29 0.09 0.00 0.00 178.44 178.70 2wb1 n LYS 95 N -2.65 1.30 -2.73 1.13 5.02 -0.59 -4.09 118.16 115.55 2wb1 n LYS 95 Ca -0.00 -0.63 -0.04 0.00 -2.02 0.00 0.00 58.31 55.62 2wb1 n LYS 95 Cb 0.17 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 2wb1 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb1 n ALA 96 N -0.30 2.67 -2.81 7.82 0.00 -0.66 -3.40 120.51 123.83 2wb1 n ALA 96 Ca 0.18 -2.25 -0.27 0.00 0.00 0.00 0.00 53.44 51.10 2wb1 n ALA 96 Cb 0.30 -0.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 2wb1 n ALA 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wb1 s THR 97 N -2.17 1.52 -1.16 0.00 2.01 -1.05 -3.32 115.64 111.46 2wb1 s THR 97 Ca 0.22 -0.78 0.18 0.00 0.31 0.00 0.00 61.69 61.63 2wb1 s THR 97 Cb 0.40 -1.30 0.21 0.00 0.01 0.00 0.00 72.50 71.83 2wb1 s THR 97 CO -0.05 0.43 1.57 0.00 -0.69 0.00 0.00 174.62 175.89 2wb1 n ARG 99 N -1.42 0.00 -0.00 0.00 1.74 -1.26 -4.02 116.66 111.70 2wb1 n ARG 99 Ca 0.06 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.22 2wb1 n ARG 99 Cb 0.19 -0.03 -0.11 0.00 -1.02 0.00 0.00 32.46 31.48 2wb1 n ARG 99 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wb1 n ARG 100 N 0.00 1.02 0.00 5.56 1.74 -1.26 -4.87 116.66 118.85 2wb1 n ARG 100 Ca 0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2wb1 n ARG 100 Cb 0.00 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2wb1 n ARG 100 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wb1 n GLY 102 N 1.40 4.54 5.00 0.00 0.00 -1.25 -3.60 105.19 111.28 2wb1 n GLY 102 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wb1 n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wb1 n ARG 103 N 0.00 0.00 -3.43 1.61 1.85 -1.21 -3.01 116.66 112.47 2wb1 n ARG 103 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.69 2wb1 n ARG 103 Cb 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.43 2wb1 n ARG 103 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wb1 n VAL 104 N 0.00 -7.18 -3.68 8.89 0.31 -1.25 -4.73 118.33 110.69 2wb1 n VAL 104 Ca 0.00 -0.46 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 2wb1 n VAL 104 Cb 0.00 -5.18 0.01 0.00 -0.91 0.00 0.00 33.84 27.77 2wb1 n VAL 104 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wb1 n LYS 105 N -2.75 0.49 0.00 5.55 4.76 -1.26 -4.59 118.16 120.37 2wb1 n LYS 105 Ca -0.11 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.26 2wb1 n LYS 105 Cb 0.58 1.41 0.00 0.00 -1.84 0.00 0.00 35.03 35.18 2wb1 n LYS 105 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2wb1 n ILE 106 N -0.44 0.00 1.44 -0.18 2.08 -1.26 -4.54 119.36 116.47 2wb1 n ILE 106 Ca -0.02 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.42 2wb1 n ILE 106 Cb 0.38 0.00 0.48 0.00 -0.75 0.00 0.00 39.64 39.74 2wb1 n ILE 106 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2wb1 n SER 107 N 0.00 1.61 0.00 4.38 7.64 -1.26 -3.97 113.62 122.02 2wb1 n SER 107 Ca 0.00 -1.51 0.04 0.00 1.01 0.00 0.00 58.87 58.41 2wb1 n SER 107 Cb 0.00 0.01 0.26 0.00 -1.01 0.00 0.00 64.21 63.47 2wb1 n SER 107 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wb1 n GLU 108 N 0.24 0.35 0.12 1.43 1.02 -1.26 -2.82 120.64 119.71 2wb1 n GLU 108 Ca 0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.19 2wb1 n GLU 108 Cb 0.38 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 2wb1 n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2wb1 h ASP 109 N 0.00 -0.20 -0.76 1.62 5.19 -1.90 -2.31 116.42 118.08 2wb1 h ASP 109 Ca 0.00 0.01 0.14 0.00 -0.62 0.00 0.00 57.03 56.56 2wb1 h ASP 109 Cb 0.00 0.05 -0.10 0.00 0.18 0.00 0.00 39.33 39.47 2wb1 h ASP 109 CO 0.00 -0.14 0.30 -0.33 -3.12 0.00 0.00 179.24 175.95 2wb1 h GLU 110 N -0.22 0.42 0.00 3.56 5.08 -1.87 -0.21 114.58 121.33 2wb1 h GLU 110 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2wb1 h GLU 110 Cb 0.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2wb1 h GLU 110 CO 0.03 0.28 0.00 0.82 -1.00 0.00 0.00 179.01 179.14 2wb1 h ILE 111 N 0.43 0.00 -1.99 3.13 1.08 -1.69 -2.91 117.51 115.56 2wb1 h ILE 111 Ca 0.42 -0.29 -0.53 0.00 -0.39 0.00 0.00 64.86 64.07 2wb1 h ILE 111 Cb 0.64 1.17 -0.41 0.00 -3.07 0.00 0.00 36.82 35.15 2wb1 h ILE 111 CO -0.41 0.00 -0.92 -0.62 -0.69 0.00 0.00 178.15 175.51 2wb1 n GLU 112 N -2.78 2.19 0.00 2.37 1.02 -0.16 -4.65 120.64 118.63 2wb1 n GLU 112 Ca 0.00 -4.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.03 2wb1 n GLU 112 Cb 0.22 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 2wb1 n GLU 112 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wb1 n LYS 113 N -0.05 4.34 0.08 3.49 5.02 -0.77 -4.71 118.16 125.56 2wb1 n LYS 113 Ca 0.27 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 2wb1 n LYS 113 Cb 0.56 -0.46 -0.14 0.00 -0.02 0.00 0.00 35.03 34.97 2wb1 n LYS 113 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2wb1 h TYR 114 N 0.00 0.38 -0.18 2.13 0.05 -1.83 0.35 116.97 117.87 2wb1 h TYR 114 Ca 0.00 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.50 2wb1 h TYR 114 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 2wb1 h TYR 114 CO 0.00 1.24 0.00 -1.13 -1.05 0.00 0.00 178.16 177.22 2wb1 n SER 115 N -3.46 1.00 -0.02 3.88 3.41 -1.26 -2.26 113.62 114.91 2wb1 n SER 115 Ca -0.09 -2.01 -0.04 0.00 -0.26 0.00 0.00 58.87 56.47 2wb1 n SER 115 Cb 1.01 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.81 2wb1 n SER 115 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wb1 n ARG 116 N 0.03 0.09 0.12 4.33 0.63 -1.06 -4.58 116.66 116.23 2wb1 n ARG 116 Ca 0.06 0.04 -0.09 0.00 -0.92 0.00 0.00 57.85 56.94 2wb1 n ARG 116 Cb 0.16 -0.72 -0.06 0.00 0.45 0.00 0.00 32.46 32.30 2wb1 n ARG 116 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2wb1 h ILE 117 N -0.13 0.38 -2.47 5.15 1.08 -0.47 -3.39 117.51 117.66 2wb1 h ILE 117 Ca -0.10 -0.84 -0.77 0.00 -0.39 0.00 0.00 64.86 62.75 2wb1 h ILE 117 Cb 1.10 0.64 -0.22 0.00 -3.07 0.00 0.00 36.82 35.27 2wb1 h ILE 117 CO -0.06 0.10 1.18 -1.22 -0.69 0.00 0.00 178.15 177.46 2wb1 n TYR 118 N -5.03 4.15 -2.72 1.37 4.01 -0.96 -4.69 117.16 113.29 2wb1 n TYR 118 Ca -0.07 -3.25 -0.08 0.00 -0.16 0.00 0.00 57.90 54.34 2wb1 n TYR 118 Cb 0.23 -1.86 0.09 0.00 -0.31 0.00 0.00 39.34 37.50 2wb1 n TYR 118 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2wb1 n ASN 119 N 3.76 -2.24 0.03 7.72 3.02 -1.26 -4.49 115.26 121.80 2wb1 n ASN 119 Ca 0.32 -3.48 -0.03 0.00 -0.03 0.00 0.00 54.58 51.37 2wb1 n ASN 119 Cb 0.39 1.81 -0.09 0.00 -0.61 0.00 0.00 39.78 41.27 2wb1 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wb1 h ALA 120 N 2.85 0.67 -0.98 5.41 0.00 -1.93 -3.42 119.26 121.87 2wb1 h ALA 120 Ca -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2wb1 h ALA 120 Cb 1.13 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2wb1 h ALA 120 CO 0.10 1.13 0.00 -0.89 0.00 0.00 0.00 179.25 179.59 2wb1 n ILE 121 N -3.00 0.00 -2.70 0.00 2.08 -1.26 -4.67 119.36 109.80 2wb1 n ILE 121 Ca -0.10 1.14 -0.40 0.00 0.56 0.00 0.00 62.75 63.95 2wb1 n ILE 121 Cb 0.90 -2.08 -0.05 0.00 -0.75 0.00 0.00 39.64 37.66 2wb1 n ILE 121 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2wb1 s LYS 122 N -2.02 4.78 0.00 0.38 3.01 -1.26 -4.92 119.74 119.70 2wb1 s LYS 122 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 55.97 56.48 2wb1 s LYS 122 Cb 0.00 -3.30 0.00 0.00 -1.01 0.00 0.00 37.83 33.52 2wb1 s LYS 122 CO 0.00 0.39 0.00 1.63 0.51 0.00 0.00 175.35 177.88 2wb1 n LYS 123 N 1.84 2.71 -0.04 1.68 5.02 -1.26 -4.72 118.16 123.39 2wb1 n LYS 123 Ca -0.01 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.15 2wb1 n LYS 123 Cb 0.47 -0.30 -0.08 0.00 -0.02 0.00 0.00 35.03 35.10 2wb1 n LYS 123 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2wb1 h ARG 124 N 0.00 0.26 -0.17 1.97 2.43 -1.98 -3.34 114.38 113.56 2wb1 h ARG 124 Ca 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2wb1 h ARG 124 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2wb1 h ARG 124 CO 0.00 0.73 0.00 0.91 -1.51 0.00 0.00 179.97 180.10 2wb1 n TRP 125 N -4.60 0.22 0.09 2.20 8.01 -1.26 -4.24 117.44 117.86 2wb1 n TRP 125 Ca -0.07 -0.31 -0.12 0.00 -1.31 0.00 0.00 57.50 55.70 2wb1 n TRP 125 Cb 0.37 -0.02 -0.09 0.00 -2.01 0.00 0.00 31.31 29.56 2wb1 n TRP 125 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 2wb1 h PRO 126 N 1.64 0.20 -0.03 -0.99 0.13 -1.85 -3.13 132.00 127.98 2wb1 h PRO 126 Ca 0.00 -0.29 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2wb1 h PRO 126 Cb 0.56 0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2wb1 h PRO 126 CO 0.00 1.09 0.05 0.66 -0.23 0.00 0.00 178.00 179.56 2wb1 h SER 127 N 0.08 0.00 -0.18 1.44 4.64 -1.74 -0.09 113.55 117.70 2wb1 h SER 127 Ca -0.08 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.14 2wb1 h SER 127 Cb 1.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.85 2wb1 h SER 127 CO 0.16 0.00 -0.29 0.00 -0.87 0.00 0.00 176.83 175.83 2wb1 h ALA 128 N 1.93 0.28 0.00 5.18 0.00 -1.72 -2.75 119.26 122.18 2wb1 h ALA 128 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 2wb1 h ALA 128 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wb1 h ALA 128 CO -0.00 0.29 -0.25 0.00 0.00 0.00 0.00 179.25 179.29 2wb1 h ALA 129 N 0.59 1.55 0.00 0.00 0.00 -1.18 0.57 119.26 120.80 2wb1 h ALA 129 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2wb1 h ALA 129 Cb 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wb1 h ALA 129 CO 0.07 0.31 0.00 0.54 0.00 0.00 0.00 179.25 180.16 2wb1 n ARG 130 N -4.19 0.36 -0.03 0.00 1.74 -0.17 -2.31 116.66 112.06 2wb1 n ARG 130 Ca -0.02 0.08 -0.05 0.00 -0.77 0.00 0.00 57.85 57.09 2wb1 n ARG 130 Cb 0.30 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 2wb1 n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wb1 n ARG 131 N -1.18 0.16 0.31 5.56 1.74 0.16 -4.37 116.66 119.04 2wb1 n ARG 131 Ca 0.10 0.04 0.19 0.00 -0.77 0.00 0.00 57.85 57.41 2wb1 n ARG 131 Cb 0.11 -1.06 0.97 0.00 -1.02 0.00 0.00 32.46 31.45 2wb1 n ARG 131 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wb1 h LEU 132 N -0.05 0.00 0.13 0.55 4.07 0.03 0.16 115.31 120.20 2wb1 h LEU 132 Ca -0.15 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 2wb1 h LEU 132 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2wb1 h LEU 132 CO -0.04 0.00 -0.06 0.71 -1.08 0.00 0.00 178.44 177.97 2wb1 h THR 133 N 0.00 0.91 -0.77 0.22 1.35 -1.70 -3.37 112.91 109.55 2wb1 h THR 133 Ca 0.02 -1.26 0.22 0.00 -0.55 0.00 0.00 66.41 64.84 2wb1 h THR 133 Cb 0.41 1.57 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 2wb1 h THR 133 CO -0.00 0.25 0.55 -0.33 -0.25 0.00 0.00 175.52 175.74 2wb1 h GLU 134 N -0.87 0.02 0.06 4.72 5.08 -0.89 -2.35 114.58 120.34 2wb1 h GLU 134 Ca -0.02 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wb1 h GLU 134 Cb 0.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2wb1 h GLU 134 CO 0.03 0.01 -0.03 1.88 -1.00 0.00 0.00 179.01 179.90 2wb1 h TYR 135 N 0.02 -0.07 -0.02 4.33 0.05 -1.63 -1.88 116.97 117.76 2wb1 h TYR 135 Ca 0.37 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.05 2wb1 h TYR 135 Cb 1.45 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.20 2wb1 h TYR 135 CO -0.00 0.06 -0.44 -0.24 -1.05 0.00 0.00 178.16 176.49 2wb1 h VAL 136 N -0.19 1.32 -0.37 -2.88 3.04 -1.63 -2.92 116.25 112.63 2wb1 h VAL 136 Ca -0.01 -1.55 -0.06 0.00 -1.01 0.00 0.00 66.70 64.07 2wb1 h VAL 136 Cb 0.17 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 2wb1 h VAL 136 CO 0.01 0.45 -0.02 0.11 -1.01 0.00 0.00 177.57 177.11 2wb1 h LYS 137 N 0.04 0.59 -0.01 4.17 1.57 -1.32 -2.36 116.57 119.25 2wb1 h LYS 137 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2wb1 h LYS 137 Cb 0.81 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2wb1 h LYS 137 CO 0.06 0.63 0.00 1.63 -0.57 0.00 0.00 179.45 181.20 2wb1 n LYS 138 N -4.25 1.09 0.00 3.15 5.02 -0.72 -3.51 118.16 118.95 2wb1 n LYS 138 Ca 0.02 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2wb1 n LYS 138 Cb 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2wb1 n LYS 138 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2wb1 n THR 139 N -0.72 0.19 -3.26 -0.18 -1.04 -0.93 -5.06 114.28 103.28 2wb1 n THR 139 Ca 0.18 -0.40 -0.35 0.00 -2.04 0.00 0.00 64.05 61.44 2wb1 n THR 139 Cb 0.12 1.17 -0.06 0.00 -1.82 0.00 0.00 70.33 69.74 2wb1 n THR 139 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wb1 s ALA 140 N -0.19 3.50 -0.03 2.41 0.00 -0.97 -4.97 121.76 121.51 2wb1 s ALA 140 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.97 2wb1 s ALA 140 Cb 0.00 -2.63 0.06 0.00 0.00 0.00 0.00 23.12 20.55 2wb1 s ALA 140 CO 0.00 0.41 0.92 -0.12 0.00 0.00 0.00 175.76 176.97 2wb1 n MET 141 N 0.59 0.59 0.00 0.00 1.56 -1.26 -4.94 117.12 113.66 2wb1 n MET 141 Ca -0.03 -1.29 0.00 0.00 -0.27 0.00 0.00 57.70 56.11 2wb1 n MET 141 Cb 0.52 -0.77 0.00 0.00 2.15 0.00 0.00 33.22 35.12 2wb1 n MET 141 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2wb1 n LYS 142 N -0.37 0.00 0.00 2.12 5.02 -1.26 -4.00 118.16 119.67 2wb1 n LYS 142 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2wb1 n LYS 142 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 2wb1 n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wb1 n ALA 143 N -3.00 0.00 0.10 7.82 0.00 -1.26 -3.94 120.51 120.23 2wb1 n ALA 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 143 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 143 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wb1 n GLN 144 N 0.00 0.00 -2.71 0.00 7.27 -1.26 -4.60 117.38 116.08 2wb1 n GLN 144 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 2wb1 n GLN 144 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 2wb1 n GLN 144 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 2wb1 n VAL 145 N -3.09 0.00 -4.37 1.69 3.14 -1.26 -5.16 118.33 109.28 2wb1 n VAL 145 Ca 0.00 -1.31 -0.34 0.00 -2.96 0.00 0.00 64.34 59.73 2wb1 n VAL 145 Cb 0.00 1.26 -0.09 0.00 -1.06 0.00 0.00 33.84 33.95 2wb1 n VAL 145 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wb1 n PRO 147 N 1.79 4.64 -1.44 0.00 -0.04 -1.26 -4.76 135.00 133.93 2wb1 n PRO 147 Ca -0.16 -4.52 0.19 0.00 -0.04 0.00 0.00 63.50 58.97 2wb1 n PRO 147 Cb 0.53 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 2wb1 n PRO 147 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wb1 n HIS 148 N 1.17 -3.68 -4.08 0.54 8.25 -1.26 -5.05 115.22 111.12 2wb1 n HIS 148 Ca 0.31 1.89 -0.10 0.00 -0.26 0.00 0.00 57.72 59.55 2wb1 n HIS 148 Cb 0.32 -3.34 -0.08 0.00 1.12 0.00 0.00 29.99 28.01 2wb1 n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wb1 n GLY 150 N -0.26 1.00 0.00 0.00 0.00 -1.26 -5.14 105.19 99.52 2wb1 n GLY 150 Ca -0.02 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2wb1 n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wb1 n GLU 151 N 0.00 0.00 -4.59 1.61 -0.58 -1.26 -5.14 120.64 110.68 2wb1 n GLU 151 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 2wb1 n GLU 151 Cb 0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 30.78 2wb1 n GLU 151 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2wb1 s LYS 152 N 2.00 1.94 0.10 3.49 0.00 -1.26 -4.89 119.74 121.11 2wb1 s LYS 152 Ca 0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 55.97 53.67 2wb1 s LYS 152 Cb 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 37.83 36.72 2wb1 s LYS 152 CO 0.00 -0.29 0.33 -1.14 0.00 0.00 0.00 175.35 174.25 2wb1 s GLN 153 N -3.80 0.96 0.46 1.78 0.74 -1.26 -5.10 119.66 113.44 2wb1 s GLN 153 Ca 0.24 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.97 2wb1 s GLN 153 Cb 0.05 0.41 0.04 0.00 1.10 0.00 0.00 33.01 34.61 2wb1 s GLN 153 CO 0.12 -0.35 0.30 1.97 -0.55 0.00 0.00 175.29 176.78 2wb1 n PHE 154 N -0.00 -0.46 -1.07 1.67 -1.74 -1.26 -5.12 117.46 109.48 2wb1 n PHE 154 Ca -0.16 -2.01 -0.36 0.00 -0.56 0.00 0.00 57.45 54.36 2wb1 n PHE 154 Cb 0.62 -0.37 0.02 0.00 1.52 0.00 0.00 39.48 41.28 2wb1 n PHE 154 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 2wb1 n LYS 155 N -1.52 0.00 0.14 3.97 4.01 -1.26 -5.14 118.16 118.36 2wb1 n LYS 155 Ca -0.04 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.88 2wb1 n LYS 155 Cb 0.54 -0.95 0.22 0.00 -0.51 0.00 0.00 35.03 34.33 2wb1 n LYS 155 CO 0.00 0.00 0.00 -0.84 -1.11 0.00 0.00 177.40 175.45 2wb1 h ILE 156 N -0.46 0.00 0.06 -0.18 3.07 -2.00 -3.54 117.51 114.46 2wb1 h ILE 156 Ca -0.40 -0.75 -0.27 0.00 1.55 0.00 0.00 64.86 64.99 2wb1 h ILE 156 Cb 1.30 1.61 0.02 0.00 -0.27 0.00 0.00 36.82 39.49 2wb1 h ILE 156 CO 0.31 0.00 -1.10 -0.07 -1.05 0.00 0.00 178.15 176.24 2wb1 h LEU 175 N 0.00 0.72 -8.08 0.16 3.38 -2.00 -3.48 115.31 106.01 2wb1 h LEU 175 Ca 0.00 -0.63 -0.67 0.00 0.09 0.00 0.00 57.88 56.67 2wb1 h LEU 175 Cb 0.87 -0.22 -0.34 0.00 0.09 0.00 0.00 40.66 41.06 2wb1 h LEU 175 CO 0.00 1.44 -0.80 -0.89 0.09 0.00 0.00 178.44 178.28 2wb1 s THR 176 N -3.11 2.44 0.29 0.22 2.01 -1.26 -5.02 115.64 111.21 2wb1 s THR 176 Ca -0.08 -1.06 0.06 0.00 0.31 0.00 0.00 61.69 60.93 2wb1 s THR 176 Cb 0.07 -2.18 0.36 0.00 0.01 0.00 0.00 72.50 70.76 2wb1 s THR 176 CO 0.90 0.32 1.39 -2.65 -0.69 0.00 0.00 174.62 173.90 2wb1 n PRO 177 N 4.61 -0.07 0.24 4.92 -0.02 -1.26 -0.35 135.00 143.08 2wb1 n PRO 177 Ca -0.18 1.30 0.17 0.00 -2.02 0.00 0.00 63.50 62.76 2wb1 n PRO 177 Cb 0.48 -2.14 0.74 0.00 -0.02 0.00 0.00 33.50 32.56 2wb1 n PRO 177 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wb1 h SER 178 N 0.00 0.00 0.32 2.55 4.64 -1.94 -2.35 113.55 116.77 2wb1 h SER 178 Ca 0.60 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.71 2wb1 h SER 178 Cb 1.36 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 2wb1 h SER 178 CO -0.79 0.00 -1.87 0.47 -0.87 0.00 0.00 176.83 173.77 2wb1 n ASP 179 N -2.80 0.40 0.21 4.97 8.00 0.53 -4.22 116.55 123.63 2wb1 n ASP 179 Ca 0.00 0.18 0.09 0.00 0.71 0.00 0.00 54.79 55.77 2wb1 n ASP 179 Cb 0.21 0.81 0.32 0.00 -0.02 0.00 0.00 41.12 42.44 2wb1 n ASP 179 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wb1 h ILE 180 N 0.00 0.48 0.00 0.53 2.04 -0.87 -2.36 117.51 117.33 2wb1 h ILE 180 Ca -0.26 -1.33 -0.07 0.00 1.00 0.00 0.00 64.86 64.20 2wb1 h ILE 180 Cb 1.70 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 2wb1 h ILE 180 CO 0.03 0.23 -0.33 -0.09 0.00 0.00 0.00 178.15 177.99 2wb1 h ARG 181 N 0.00 0.00 0.00 2.37 2.43 -1.72 -2.82 114.38 114.64 2wb1 h ARG 181 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2wb1 h ARG 181 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2wb1 h ARG 181 CO 0.03 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 179.22 2wb1 n GLU 182 N -3.24 0.83 0.00 0.20 1.02 -0.89 -2.36 120.64 116.20 2wb1 n GLU 182 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2wb1 n GLU 182 Cb 0.62 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2wb1 n GLU 182 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wb1 n ARG 183 N -0.63 5.41 -0.07 3.49 1.74 -1.07 -4.68 116.66 120.84 2wb1 n ARG 183 Ca 0.05 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 2wb1 n ARG 183 Cb 0.02 -0.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.83 2wb1 n ARG 183 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wb1 n LEU 184 N -0.79 0.51 0.30 0.55 4.77 -1.13 -4.19 117.00 117.03 2wb1 n LEU 184 Ca 0.00 -0.02 0.17 0.00 -0.03 0.00 0.00 56.01 56.13 2wb1 n LEU 184 Cb 0.00 0.17 0.96 0.00 -2.33 0.00 0.00 43.42 42.23 2wb1 n LEU 184 CO 0.00 0.41 1.12 -0.08 -1.33 0.00 0.00 177.39 177.51 2wb1 h GLU 185 N 0.00 0.00 -0.04 3.23 4.81 -1.76 -2.91 114.58 117.91 2wb1 h GLU 185 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2wb1 h GLU 185 Cb 1.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.17 2wb1 h GLU 185 CO 0.01 0.02 0.00 1.63 -0.73 0.00 0.00 179.01 179.93 2wb1 n LYS 186 N -3.64 1.10 -4.66 1.92 5.02 -1.26 -4.70 118.16 111.95 2wb1 n LYS 186 Ca -0.03 -0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 55.77 2wb1 n LYS 186 Cb 0.10 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 33.84 2wb1 n LYS 186 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2wb1 s VAL 187 N -1.95 3.45 0.14 -0.18 -7.23 -1.10 -3.92 120.40 109.61 2wb1 s VAL 187 Ca 0.14 -0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 59.74 2wb1 s VAL 187 Cb 0.07 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.60 2wb1 s VAL 187 CO 0.11 0.55 0.19 -0.81 -0.31 0.00 0.00 175.10 174.82 2wb1 n PRO 188 N 2.97 -0.10 0.05 4.82 -0.04 -1.26 -4.94 135.00 136.51 2wb1 n PRO 188 Ca -0.18 -0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 62.93 2wb1 n PRO 188 Cb 0.53 -0.19 0.18 0.00 -0.04 0.00 0.00 33.50 33.98 2wb1 n PRO 188 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wb1 h GLU 189 N 0.00 0.37 0.00 0.54 5.08 -1.99 -2.95 114.58 115.63 2wb1 h GLU 189 Ca -0.06 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2wb1 h GLU 189 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2wb1 h GLU 189 CO 0.04 0.71 -0.17 0.66 -1.00 0.00 0.00 179.01 179.26 2wb1 h SER 190 N 0.31 0.00 0.07 1.42 4.64 -2.01 -3.28 113.55 114.70 2wb1 h SER 190 Ca 0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2wb1 h SER 190 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2wb1 h SER 190 CO 0.07 0.17 -0.03 0.44 -0.87 0.00 0.00 176.83 176.60 2wb1 h ASP 191 N 0.00 -0.08 -0.20 4.97 3.32 -1.88 -3.33 116.42 119.21 2wb1 h ASP 191 Ca -0.00 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.82 2wb1 h ASP 191 Cb 0.33 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2wb1 h ASP 191 CO 0.02 0.53 0.25 -0.37 -1.72 0.00 0.00 179.24 177.95 2wb1 h VAL 192 N -0.99 0.40 0.88 -1.35 -1.51 -1.66 -2.49 116.25 109.52 2wb1 h VAL 192 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.42 2wb1 h VAL 192 Cb 0.36 0.80 0.01 0.00 -2.13 0.00 0.00 31.29 30.32 2wb1 h VAL 192 CO 0.02 0.00 -0.42 -0.33 -1.23 0.00 0.00 177.57 175.61 2wb1 h GLU 193 N 0.00 -1.13 -0.38 5.19 5.08 -1.67 -2.00 114.58 119.66 2wb1 h GLU 193 Ca 0.10 0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.64 2wb1 h GLU 193 Cb 0.59 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2wb1 h GLU 193 CO -0.00 -0.75 0.28 0.82 -1.00 0.00 0.00 179.01 178.35 2wb1 h ILE 194 N -1.19 0.81 0.00 3.13 2.04 -1.56 0.26 117.51 121.01 2wb1 h ILE 194 Ca -0.12 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2wb1 h ILE 194 Cb 0.90 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2wb1 h ILE 194 CO 0.20 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 177.84 2wb1 h LEU 195 N 0.00 0.00 0.00 1.44 3.38 -1.64 -3.40 115.31 115.09 2wb1 h LEU 195 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wb1 h LEU 195 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2wb1 h LEU 195 CO -0.00 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2wb1 n GLY 196 N 0.86 0.58 3.24 0.83 0.00 0.92 -4.64 105.19 106.99 2wb1 n GLY 196 Ca 0.01 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2wb1 n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wb1 s TYR 197 N -0.79 0.30 -0.23 1.61 2.02 -0.76 -5.01 117.35 114.49 2wb1 s TYR 197 Ca 0.00 -0.71 -0.10 0.00 -0.37 0.00 0.00 57.07 55.89 2wb1 s TYR 197 Cb 0.00 -0.10 -0.05 0.00 -0.40 0.00 0.00 41.96 41.41 2wb1 s TYR 197 CO 0.00 -0.60 0.14 0.34 -1.57 0.00 0.00 175.55 173.86 2wb1 s ASP 198 N -2.91 5.99 0.23 2.29 -1.08 -1.26 -3.95 116.67 115.98 2wb1 s ASP 198 Ca 0.11 0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.40 2wb1 s ASP 198 Cb 0.05 -2.08 0.04 0.00 -1.46 0.00 0.00 42.92 39.47 2wb1 s ASP 198 CO -0.06 0.08 1.25 1.55 0.52 0.00 0.00 175.17 178.50 2wb1 h PRO 199 N 7.43 0.00 0.00 4.34 0.13 -1.86 -3.16 132.00 138.88 2wb1 h PRO 199 Ca -0.38 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 2wb1 h PRO 199 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2wb1 h PRO 199 CO 0.66 0.31 -0.68 1.15 -0.23 0.00 0.00 178.00 179.21 2wb1 h THR 200 N 0.00 0.46 -0.02 1.56 2.02 -1.96 -3.42 112.91 111.55 2wb1 h THR 200 Ca -0.05 -1.52 -0.00 0.00 0.77 0.00 0.00 66.41 65.61 2wb1 h THR 200 Cb 1.34 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2wb1 h THR 200 CO 0.04 0.16 -0.01 0.74 0.37 0.00 0.00 175.52 176.82 2wb1 h THR 201 N -1.00 1.30 -2.74 3.16 2.02 -1.92 -3.45 112.91 110.29 2wb1 h THR 201 Ca -0.12 -0.91 -0.62 0.00 0.77 0.00 0.00 66.41 65.52 2wb1 h THR 201 Cb 0.77 1.89 -0.14 0.00 -1.74 0.00 0.00 68.15 68.92 2wb1 h THR 201 CO -0.08 0.24 -0.75 -0.94 0.37 0.00 0.00 175.52 174.37 2wb1 s SER 202 N -5.62 3.93 -0.07 4.18 1.04 -1.19 -3.25 113.70 112.71 2wb1 s SER 202 Ca -0.15 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 2wb1 s SER 202 Cb 0.03 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.66 2wb1 s SER 202 CO 0.68 0.08 0.37 -0.13 0.98 0.00 0.00 173.24 175.21 2wb1 s ARG 203 N -3.08 0.59 0.24 4.02 0.52 -1.26 -4.06 118.95 115.92 2wb1 s ARG 203 Ca 0.26 0.16 -0.05 0.00 -0.52 0.00 0.00 55.73 55.58 2wb1 s ARG 203 Cb -0.07 0.27 0.45 0.00 0.52 0.00 0.00 34.95 36.12 2wb1 s ARG 203 CO 0.14 -0.13 1.70 -1.00 0.02 0.00 0.00 175.30 176.03 2wb1 h PRO 204 N 4.56 0.30 -0.64 3.54 0.13 -1.93 -2.65 132.00 135.30 2wb1 h PRO 204 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2wb1 h PRO 204 Cb 1.18 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2wb1 h PRO 204 CO 0.34 0.20 0.42 0.93 -0.23 0.00 0.00 178.00 179.65 2wb1 h GLU 205 N 0.31 0.85 0.00 0.86 3.07 -1.92 -2.53 114.58 115.21 2wb1 h GLU 205 Ca 0.41 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 2wb1 h GLU 205 Cb 0.68 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2wb1 h GLU 205 CO -0.48 0.57 0.00 -1.49 -1.40 0.00 0.00 179.01 176.21 2wb1 h TRP 206 N 0.87 0.00 0.47 4.33 6.55 -1.84 -2.20 115.95 124.12 2wb1 h TRP 206 Ca 0.23 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.06 2wb1 h TRP 206 Cb -0.09 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.19 2wb1 h TRP 206 CO -0.03 0.00 -0.44 0.52 -1.05 0.00 0.00 178.44 177.45 2wb1 h MET 207 N 0.00 -0.88 -6.67 0.49 2.86 -1.36 -3.38 114.93 106.00 2wb1 h MET 207 Ca 0.00 0.06 -0.56 0.00 -2.06 0.00 0.00 59.70 57.14 2wb1 h MET 207 Cb 0.26 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2wb1 h MET 207 CO 0.00 -0.58 0.97 0.42 1.06 0.00 0.00 176.91 178.77 2wb1 s ILE 208 N -5.94 4.12 0.19 -1.22 1.01 -0.83 -4.00 121.20 114.53 2wb1 s ILE 208 Ca -0.18 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 2wb1 s ILE 208 Cb 0.05 -4.52 -0.08 0.00 0.01 0.00 0.00 42.46 37.92 2wb1 s ILE 208 CO 0.62 -0.97 1.14 -0.76 0.00 0.00 0.00 174.94 174.97 2wb1 s LEU 209 N 4.73 4.47 -0.18 2.97 1.43 -0.62 -4.84 118.68 126.63 2wb1 s LEU 209 Ca 0.51 2.17 0.13 0.00 -1.03 0.00 0.00 54.13 55.91 2wb1 s LEU 209 Cb -0.09 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.32 2wb1 s LEU 209 CO 0.32 -0.29 0.01 0.41 0.23 0.00 0.00 176.35 177.03 2wb1 n THR 210 N 2.35 1.22 -4.72 5.49 -1.04 -1.26 -2.54 114.28 113.78 2wb1 n THR 210 Ca 0.03 -0.70 -0.30 0.00 -2.04 0.00 0.00 64.05 61.05 2wb1 n THR 210 Cb 0.45 -0.67 -0.17 0.00 -1.82 0.00 0.00 70.33 68.12 2wb1 n THR 210 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wb1 s VAL 211 N -2.43 1.70 -0.20 12.58 1.01 -1.26 0.17 120.40 131.96 2wb1 s VAL 211 Ca -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2wb1 s VAL 211 Cb 0.06 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2wb1 s VAL 211 CO 0.68 0.48 -0.02 -0.22 0.00 0.00 0.00 175.10 176.02 2wb1 s LEU 212 N 0.73 3.16 -0.08 3.92 0.20 -0.60 -4.91 118.68 121.10 2wb1 s LEU 212 Ca -0.11 -0.24 -0.20 0.00 0.69 0.00 0.00 54.13 54.27 2wb1 s LEU 212 Cb -0.16 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 2wb1 s LEU 212 CO 0.02 0.06 0.56 -2.16 -0.29 0.00 0.00 176.35 174.54 2wb1 s PRO 213 N 1.02 4.35 -0.10 0.98 0.04 -1.26 -1.73 135.00 138.29 2wb1 s PRO 213 Ca 0.01 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.38 2wb1 s PRO 213 Cb -0.14 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2wb1 s PRO 213 CO 0.01 0.20 1.08 0.08 0.04 0.00 0.00 177.00 178.41 2wb1 s VAL 214 N 0.43 4.59 0.67 -0.36 1.01 0.35 -4.93 120.40 122.16 2wb1 s VAL 214 Ca 0.30 1.87 -0.15 0.00 0.00 0.00 0.00 61.98 64.00 2wb1 s VAL 214 Cb -0.16 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2wb1 s VAL 214 CO 0.14 -0.01 1.14 -2.16 0.00 0.00 0.00 175.10 174.21 2wb1 s PRO 215 N 2.18 2.65 0.54 2.72 0.04 -1.26 -0.26 135.00 141.61 2wb1 s PRO 215 Ca 0.51 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 2wb1 s PRO 215 Cb -0.20 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2wb1 s PRO 215 CO 0.19 -1.39 1.30 -2.30 0.04 0.00 0.00 177.00 174.84 2wb1 n PRO 216 N -2.41 1.61 0.18 0.56 -0.02 -1.24 -4.62 135.00 129.07 2wb1 n PRO 216 Ca 0.11 0.59 0.18 0.00 -2.02 0.00 0.00 63.50 62.37 2wb1 n PRO 216 Cb 0.51 -2.50 0.78 0.00 -0.02 0.00 0.00 33.50 32.27 2wb1 n PRO 216 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2wb1 h ILE 217 N 1.39 0.26 0.00 4.25 2.10 -1.80 -1.19 117.51 122.51 2wb1 h ILE 217 Ca -0.50 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.44 2wb1 h ILE 217 Cb 1.31 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 37.71 2wb1 h ILE 217 CO 0.57 0.00 0.00 0.41 -1.08 0.00 0.00 178.15 178.05 2wb1 n THR 218 N -3.45 1.03 0.32 2.19 -1.04 -1.26 -2.01 114.28 110.06 2wb1 n THR 218 Ca 0.04 0.26 0.08 0.00 -2.04 0.00 0.00 64.05 62.38 2wb1 n THR 218 Cb 0.52 -1.06 -0.11 0.00 -1.82 0.00 0.00 70.33 67.86 2wb1 n THR 218 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2wb1 n ILE 219 N -1.43 0.00 -3.36 12.58 5.41 -0.45 -4.65 119.36 127.47 2wb1 n ILE 219 Ca 0.04 -0.26 -0.26 0.00 1.00 0.00 0.00 62.75 63.27 2wb1 n ILE 219 Cb 0.12 0.52 -0.08 0.00 -0.71 0.00 0.00 39.64 39.49 2wb1 n ILE 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2wb1 n ARG 220 N -1.75 1.11 -1.08 0.38 3.00 -0.85 -4.97 116.66 112.49 2wb1 n ARG 220 Ca -0.00 -3.66 -0.30 0.00 -0.01 0.00 0.00 57.85 53.88 2wb1 n ARG 220 Cb 0.34 -1.65 0.24 0.00 0.00 0.00 0.00 32.46 31.39 2wb1 n ARG 220 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2wb1 s PRO 221 N -1.22 -1.18 0.29 5.56 0.04 -1.18 -4.80 135.00 132.50 2wb1 s PRO 221 Ca 0.35 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.36 2wb1 s PRO 221 Cb 0.12 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 33.02 2wb1 s PRO 221 CO -0.11 -3.69 0.46 -1.12 0.04 0.00 0.00 177.00 172.57 2wb1 s SER 222 N -3.88 6.31 0.29 6.66 0.01 -1.26 -4.49 113.70 117.33 2wb1 s SER 222 Ca 0.71 0.28 -0.10 0.00 1.31 0.00 0.00 55.95 58.15 2wb1 s SER 222 Cb -0.10 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2wb1 s SER 222 CO 0.56 -0.18 0.51 -0.63 0.41 0.00 0.00 173.24 173.91 2wb1 s ILE 223 N -2.14 0.00 -1.22 1.44 1.01 -1.01 -4.88 121.20 114.40 2wb1 s ILE 223 Ca 0.37 -1.42 -0.20 0.00 0.00 0.00 0.00 60.65 59.41 2wb1 s ILE 223 Cb -0.09 -2.40 0.06 0.00 0.01 0.00 0.00 42.46 40.03 2wb1 s ILE 223 CO 0.33 0.00 1.68 -0.04 0.00 0.00 0.00 174.94 176.91 2wb1 s MET 224 N -3.57 3.80 -0.49 2.79 -1.94 -1.26 -3.34 119.30 115.29 2wb1 s MET 224 Ca 0.24 -1.72 -0.46 0.00 -1.71 0.00 0.00 55.69 52.04 2wb1 s MET 224 Cb -0.01 -5.48 -0.20 0.00 2.01 0.00 0.00 34.83 31.16 2wb1 s MET 224 CO 0.12 -2.34 1.76 0.00 -0.01 0.00 0.00 175.02 174.55 2wb1 n ALA 231 N 8.87 -0.87 -3.65 3.03 0.00 -1.26 -5.17 120.51 121.45 2wb1 n ALA 231 Ca 0.45 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 54.28 2wb1 n ALA 231 Cb 0.47 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.90 2wb1 n ALA 231 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wb1 s GLU 232 N 3.86 0.57 0.16 0.00 2.56 -1.21 -5.12 118.70 119.51 2wb1 s GLU 232 Ca 1.09 1.43 0.00 0.00 0.00 0.00 0.00 54.97 57.49 2wb1 s GLU 232 Cb -1.48 0.84 -0.00 0.00 2.00 0.00 0.00 34.13 35.49 2wb1 s GLU 232 CO 0.77 -0.20 0.01 -0.25 -0.56 0.00 0.00 175.26 175.03 2wb1 n ASP 233 N 5.44 2.18 0.13 -1.70 9.92 -1.26 -2.41 116.55 128.83 2wb1 n ASP 233 Ca -0.12 -1.72 0.00 0.00 -0.53 0.00 0.00 54.79 52.42 2wb1 n ASP 233 Cb 0.49 0.16 0.00 0.00 -0.64 0.00 0.00 41.12 41.13 2wb1 n ASP 233 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wb1 n ASP 234 N -1.26 -0.02 -0.11 -2.24 2.03 -1.26 -4.86 116.55 108.84 2wb1 n ASP 234 Ca -0.06 0.42 -0.04 0.00 0.52 0.00 0.00 54.79 55.64 2wb1 n ASP 234 Cb 0.21 0.30 0.17 0.00 -0.72 0.00 0.00 41.12 41.08 2wb1 n ASP 234 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2wb1 h LEU 235 N 0.00 0.75 -1.23 -2.67 6.46 -1.93 -2.13 115.31 114.56 2wb1 h LEU 235 Ca 0.00 -0.17 0.15 0.00 -0.12 0.00 0.00 57.88 57.74 2wb1 h LEU 235 Cb 0.01 -0.20 -0.08 0.00 -0.73 0.00 0.00 40.66 39.67 2wb1 h LEU 235 CO 0.00 0.81 0.59 0.74 -0.62 0.00 0.00 178.44 179.96 2wb1 h THR 236 N 0.74 0.81 0.74 1.05 2.02 -1.91 -2.84 112.91 113.52 2wb1 h THR 236 Ca 0.15 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 2wb1 h THR 236 Cb 0.42 0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2wb1 h THR 236 CO 0.02 0.13 -0.36 -0.74 0.37 0.00 0.00 175.52 174.94 2wb1 h HIS 237 N 0.72 -0.92 0.00 3.16 -0.00 -1.71 -1.82 115.15 114.57 2wb1 h HIS 237 Ca 0.47 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.82 2wb1 h HIS 237 Cb 0.75 0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2wb1 h HIS 237 CO -0.00 -0.55 0.00 0.36 -0.00 0.00 0.00 177.93 177.73 2wb1 n LYS 238 N -5.46 0.03 -0.04 5.26 2.85 -1.18 -1.10 118.16 118.53 2wb1 n LYS 238 Ca -0.13 0.27 -0.16 0.00 -1.05 0.00 0.00 58.31 57.24 2wb1 n LYS 238 Cb 0.40 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 33.15 2wb1 n LYS 238 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2wb1 n LEU 239 N -1.29 1.89 -0.18 -5.58 0.00 -0.94 -4.24 117.00 106.66 2wb1 n LEU 239 Ca 0.01 0.17 -0.04 0.00 0.00 0.00 0.00 56.01 56.15 2wb1 n LEU 239 Cb 0.02 -0.52 0.14 0.00 0.00 0.00 0.00 43.42 43.06 2wb1 n LEU 239 CO 0.02 0.70 0.98 0.58 0.00 0.00 0.00 177.39 179.67 2wb1 h VAL 240 N 0.03 1.24 -0.94 1.96 2.07 -0.28 -2.79 116.25 117.54 2wb1 h VAL 240 Ca -0.43 -0.85 0.13 0.00 0.82 0.00 0.00 66.70 66.37 2wb1 h VAL 240 Cb 2.03 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 2wb1 h VAL 240 CO 0.04 0.32 0.60 0.44 0.02 0.00 0.00 177.57 179.00 2wb1 h ASP 241 N 0.91 0.78 0.51 0.57 3.32 -1.70 0.17 116.42 120.98 2wb1 h ASP 241 Ca 0.20 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2wb1 h ASP 241 Cb 0.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2wb1 h ASP 241 CO -0.00 0.40 -0.41 0.40 -1.72 0.00 0.00 179.24 177.91 2wb1 h ILE 242 N 0.83 0.00 -0.90 0.35 2.04 -1.67 -2.81 117.51 115.35 2wb1 h ILE 242 Ca 0.47 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.58 2wb1 h ILE 242 Cb 0.63 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2wb1 h ILE 242 CO -0.24 0.00 0.63 0.58 0.00 0.00 0.00 178.15 179.12 2wb1 h VAL 243 N -0.89 0.59 0.04 1.67 2.07 -0.70 0.74 116.25 119.77 2wb1 h VAL 243 Ca -0.07 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2wb1 h VAL 243 Cb 0.74 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2wb1 h VAL 243 CO 0.01 0.03 -0.02 -0.09 0.02 0.00 0.00 177.57 177.52 2wb1 h ARG 244 N 0.14 -0.05 -0.03 1.57 2.43 -0.99 -2.39 114.38 115.05 2wb1 h ARG 244 Ca 0.44 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.43 2wb1 h ARG 244 Cb 1.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 2wb1 h ARG 244 CO -0.07 0.43 -0.79 0.82 -1.51 0.00 0.00 179.97 178.84 2wb1 h ILE 245 N -0.56 1.43 0.00 1.20 1.08 -0.75 -1.22 117.51 118.70 2wb1 h ILE 245 Ca -0.01 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.13 2wb1 h ILE 245 Cb 0.50 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 2wb1 h ILE 245 CO 0.01 0.69 0.00 -3.20 -0.69 0.00 0.00 178.15 174.96 2wb1 n ASN 246 N -3.76 0.00 -0.04 1.72 5.15 0.24 -1.61 115.26 116.96 2wb1 n ASN 246 Ca -0.04 -0.87 -0.03 0.00 -0.60 0.00 0.00 54.58 53.04 2wb1 n ASN 246 Cb 0.74 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.92 2wb1 n ASN 246 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2wb1 n GLU 247 N -0.82 2.18 0.11 1.20 4.07 -0.78 -4.12 120.64 122.49 2wb1 n GLU 247 Ca 0.10 -0.02 -0.03 0.00 -0.06 0.00 0.00 57.16 57.15 2wb1 n GLU 247 Cb 0.04 -1.23 0.09 0.00 -0.06 0.00 0.00 31.44 30.29 2wb1 n GLU 247 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wb1 h ARG 248 N 0.00 0.03 -0.05 5.31 3.08 -0.53 -2.03 114.38 120.18 2wb1 h ARG 248 Ca -0.20 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.68 2wb1 h ARG 248 Cb 1.36 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.42 2wb1 h ARG 248 CO 0.01 0.74 -0.55 -0.07 -1.07 0.00 0.00 179.97 179.03 2wb1 h LEU 249 N 0.02 0.57 -1.20 3.04 3.38 -1.56 -2.99 115.31 116.57 2wb1 h LEU 249 Ca -0.01 -0.70 0.15 0.00 0.09 0.00 0.00 57.88 57.41 2wb1 h LEU 249 Cb 1.28 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 2wb1 h LEU 249 CO 0.10 1.18 0.60 0.11 0.09 0.00 0.00 178.44 180.52 2wb1 h LYS 250 N -0.00 0.72 0.00 1.13 1.57 -1.70 -1.97 116.57 116.32 2wb1 h LYS 250 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2wb1 h LYS 250 Cb 1.22 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2wb1 h LYS 250 CO 0.11 0.48 -0.42 -1.91 -0.57 0.00 0.00 179.45 177.14 2wb1 n GLU 251 N -4.60 0.03 -0.38 3.15 2.13 -0.77 -3.18 120.64 117.02 2wb1 n GLU 251 Ca 0.19 0.01 0.10 0.00 0.66 0.00 0.00 57.16 58.12 2wb1 n GLU 251 Cb 0.49 -1.52 0.30 0.00 0.27 0.00 0.00 31.44 30.98 2wb1 n GLU 251 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2wb1 n SER 252 N -1.56 3.70 0.07 4.31 3.41 -0.76 -3.70 113.62 119.09 2wb1 n SER 252 Ca 0.06 -2.08 -0.16 0.00 -0.26 0.00 0.00 58.87 56.42 2wb1 n SER 252 Cb 0.35 -0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 63.69 2wb1 n SER 252 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2wb1 h ILE 253 N 3.83 1.22 0.00 -1.33 2.04 -1.47 -3.41 117.51 118.39 2wb1 h ILE 253 Ca 0.00 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.01 2wb1 h ILE 253 Cb 0.98 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 2wb1 h ILE 253 CO 0.04 0.83 -0.52 0.47 0.00 0.00 0.00 178.15 178.98 2wb1 n ASP 254 N -3.46 0.76 -3.95 1.72 9.92 -1.26 -4.86 116.55 115.41 2wb1 n ASP 254 Ca -0.15 -0.59 -0.30 0.00 -0.53 0.00 0.00 54.79 53.22 2wb1 n ASP 254 Cb 1.04 1.05 -0.14 0.00 -0.64 0.00 0.00 41.12 42.43 2wb1 n ASP 254 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wb1 s ALA 255 N -1.87 3.15 0.00 2.24 0.00 -1.24 -5.06 121.76 118.98 2wb1 s ALA 255 Ca 0.02 -3.07 0.00 0.00 0.00 0.00 0.00 51.96 48.91 2wb1 s ALA 255 Cb 0.06 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2wb1 s ALA 255 CO 0.33 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2wb1 n GLY 256 N 3.38 1.28 1.13 0.00 0.00 -1.26 -4.73 105.19 104.99 2wb1 n GLY 256 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2wb1 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 n ALA 257 N 8.78 -2.53 -1.00 4.61 0.00 -1.26 -4.89 120.51 124.22 2wb1 n ALA 257 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 257 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 257 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wb1 n PRO 258 N 0.26 -1.50 -0.02 0.00 -0.02 -1.26 -4.88 135.00 127.58 2wb1 n PRO 258 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 2wb1 n PRO 258 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 2wb1 n PRO 258 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wb1 n GLN 259 N -1.72 0.74 -0.10 -0.52 1.13 -1.26 -3.50 117.38 112.14 2wb1 n GLN 259 Ca 0.00 0.25 -0.12 0.00 -1.94 0.00 0.00 57.00 55.18 2wb1 n GLN 259 Cb 0.00 -1.69 -0.00 0.00 0.11 0.00 0.00 30.24 28.66 2wb1 n GLN 259 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2wb1 h LEU 260 N 0.06 0.95 0.52 1.08 3.38 -1.98 -3.21 115.31 116.10 2wb1 h LEU 260 Ca -0.44 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 2wb1 h LEU 260 Cb 2.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.49 2wb1 h LEU 260 CO 0.06 1.22 -0.38 0.40 0.09 0.00 0.00 178.44 179.84 2wb1 h ILE 261 N 0.73 0.23 0.00 1.22 2.04 -1.96 0.31 117.51 120.08 2wb1 h ILE 261 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2wb1 h ILE 261 Cb 0.97 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2wb1 h ILE 261 CO 0.09 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.24 2wb1 n ILE 262 N -5.50 0.44 -0.05 -0.67 3.06 -1.23 -2.23 119.36 113.19 2wb1 n ILE 262 Ca -0.12 0.11 0.01 0.00 -2.50 0.00 0.00 62.75 60.26 2wb1 n ILE 262 Cb 0.39 -0.79 -0.15 0.00 0.54 0.00 0.00 39.64 39.63 2wb1 n ILE 262 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2wb1 n GLU 263 N -1.31 0.80 0.17 9.51 1.02 -0.95 -3.66 120.64 126.22 2wb1 n GLU 263 Ca 0.09 -0.10 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 2wb1 n GLU 263 Cb 0.16 -1.46 0.41 0.00 -0.02 0.00 0.00 31.44 30.53 2wb1 n GLU 263 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2wb1 h ASP 264 N 0.00 0.00 0.05 1.62 3.45 0.08 -3.03 116.42 118.58 2wb1 h ASP 264 Ca -0.23 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 56.87 2wb1 h ASP 264 Cb 1.45 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 40.18 2wb1 h ASP 264 CO 0.01 0.00 -2.06 0.18 -1.57 0.00 0.00 179.24 175.81 2wb1 n LEU 265 N -2.61 2.47 0.31 1.55 4.77 -1.15 -3.98 117.00 118.35 2wb1 n LEU 265 Ca 0.04 0.18 0.19 0.00 -0.03 0.00 0.00 56.01 56.38 2wb1 n LEU 265 Cb 0.39 -0.99 1.04 0.00 -2.33 0.00 0.00 43.42 41.53 2wb1 n LEU 265 CO 0.28 0.72 1.15 -0.25 -1.33 0.00 0.00 177.39 177.97 2wb1 h TRP 266 N -0.33 0.00 -0.01 -1.77 7.01 -1.63 0.22 115.95 119.45 2wb1 h TRP 266 Ca -0.49 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.51 2wb1 h TRP 266 Cb 1.79 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.85 2wb1 h TRP 266 CO 0.04 0.00 -0.32 -0.25 -2.79 0.00 0.00 178.44 175.13 2wb1 n ASP 267 N -3.49 0.97 -0.02 2.65 8.00 -1.15 -3.35 116.55 120.16 2wb1 n ASP 267 Ca -0.03 -0.80 -0.12 0.00 0.71 0.00 0.00 54.79 54.55 2wb1 n ASP 267 Cb 0.11 0.18 -0.14 0.00 -0.02 0.00 0.00 41.12 41.25 2wb1 n ASP 267 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wb1 n LEU 268 N -0.79 1.31 0.14 0.64 4.77 0.75 -3.05 117.00 120.76 2wb1 n LEU 268 Ca 0.11 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2wb1 n LEU 268 Cb 0.35 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.43 2wb1 n LEU 268 CO 0.28 0.53 0.48 -0.07 -1.33 0.00 0.00 177.39 177.28 2wb1 h LEU 269 N 0.02 0.00 0.00 2.23 3.38 -1.63 0.67 115.31 119.97 2wb1 h LEU 269 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2wb1 h LEU 269 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2wb1 h LEU 269 CO 0.07 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2wb1 n GLN 270 N -3.59 0.01 -0.09 1.13 6.02 -1.21 -1.95 117.38 117.70 2wb1 n GLN 270 Ca -0.00 0.23 -0.18 0.00 -0.01 0.00 0.00 57.00 57.04 2wb1 n GLN 270 Cb 0.66 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.36 2wb1 n GLN 270 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2wb1 n TYR 271 N -1.49 0.00 -0.07 1.08 9.36 -0.90 -4.30 117.16 120.84 2wb1 n TYR 271 Ca 0.04 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.15 2wb1 n TYR 271 Cb 0.18 -0.64 -0.04 0.00 -0.63 0.00 0.00 39.34 38.21 2wb1 n TYR 271 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2wb1 h HIS 272 N -0.76 0.36 -0.48 2.98 3.86 0.29 0.38 115.15 121.77 2wb1 h HIS 272 Ca -0.37 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 58.70 2wb1 h HIS 272 Cb 1.24 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 2wb1 h HIS 272 CO -0.15 0.39 -0.14 0.28 0.86 0.00 0.00 177.93 179.18 2wb1 h VAL 273 N 0.21 1.27 -0.17 2.45 2.07 -1.62 0.16 116.25 120.63 2wb1 h VAL 273 Ca 0.08 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 2wb1 h VAL 273 Cb 0.19 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2wb1 h VAL 273 CO -0.01 0.44 -0.04 0.00 0.02 0.00 0.00 177.57 177.99 2wb1 h ALA 274 N 0.88 1.62 -0.15 1.67 0.00 -1.67 -2.90 119.26 118.72 2wb1 h ALA 274 Ca 0.12 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2wb1 h ALA 274 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wb1 h ALA 274 CO 0.05 0.28 -0.16 1.15 0.00 0.00 0.00 179.25 180.57 2wb1 h THR 275 N 0.24 1.35 -0.91 0.00 2.02 0.29 -3.11 112.91 112.80 2wb1 h THR 275 Ca 0.06 -1.34 0.09 0.00 0.77 0.00 0.00 66.41 65.98 2wb1 h THR 275 Cb 0.24 1.90 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 2wb1 h THR 275 CO 0.01 0.40 0.59 0.22 0.37 0.00 0.00 175.52 177.10 2wb1 h TYR 276 N -0.01 1.00 0.00 3.16 3.20 -0.50 -3.23 116.97 120.59 2wb1 h TYR 276 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2wb1 h TYR 276 Cb 0.71 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2wb1 h TYR 276 CO 0.09 0.47 0.00 1.19 -1.64 0.00 0.00 178.16 178.27 2wb1 n PHE 277 N -4.53 0.00 -4.05 -3.82 3.72 -1.16 -3.00 117.46 104.62 2wb1 n PHE 277 Ca 0.15 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.25 2wb1 n PHE 277 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.76 2wb1 n PHE 277 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2wb1 s ASP 278 N -1.31 5.55 -0.12 4.37 2.15 -1.17 0.71 116.67 126.86 2wb1 s ASP 278 Ca 0.00 -0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.11 2wb1 s ASP 278 Cb 0.00 -1.50 0.29 0.00 -0.30 0.00 0.00 42.92 41.41 2wb1 s ASP 278 CO 0.00 0.17 1.19 -3.20 -0.17 0.00 0.00 175.17 173.15 2wb1 n ASN 279 N 0.42 -0.15 0.00 -0.34 4.05 -1.25 -3.75 115.26 114.24 2wb1 n ASN 279 Ca -0.08 -2.05 0.00 0.00 0.45 0.00 0.00 54.58 52.89 2wb1 n ASN 279 Cb 0.52 0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.62 2wb1 n ASN 279 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2wb1 n GLU 280 N -0.32 0.00 -0.25 1.20 2.13 -1.26 -4.83 120.64 117.32 2wb1 n GLU 280 Ca -0.11 0.00 0.22 0.00 0.66 0.00 0.00 57.16 57.93 2wb1 n GLU 280 Cb 0.88 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.99 2wb1 n GLU 280 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2wb1 n ILE 281 N -1.44 -0.32 -0.92 6.31 5.41 -1.26 -4.50 119.36 122.64 2wb1 n ILE 281 Ca 0.00 1.58 -0.35 0.00 1.00 0.00 0.00 62.75 64.98 2wb1 n ILE 281 Cb 0.00 -2.50 0.07 0.00 -0.71 0.00 0.00 39.64 36.50 2wb1 n ILE 281 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2wb1 n PRO 282 N -4.80 -0.12 -1.70 0.38 -0.02 -1.26 -4.73 135.00 122.75 2wb1 n PRO 282 Ca 0.27 -0.02 -0.17 0.00 -2.02 0.00 0.00 63.50 61.56 2wb1 n PRO 282 Cb 0.90 -1.33 -0.08 0.00 -0.02 0.00 0.00 33.50 32.97 2wb1 n PRO 282 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wb1 s GLY 283 N -1.39 -0.70 -0.03 -1.23 0.00 -1.26 -4.58 107.32 98.13 2wb1 s GLY 283 Ca 0.46 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.88 2wb1 s GLY 283 CO 0.77 4.08 0.04 -0.10 0.00 0.00 0.00 173.10 177.89 2wb1 n LEU 284 N 17.98 -0.15 0.12 0.66 0.00 -1.26 -4.94 117.00 129.40 2wb1 n LEU 284 Ca 0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 56.01 56.31 2wb1 n LEU 284 Cb 0.45 -0.10 -0.08 0.00 0.00 0.00 0.00 43.42 43.70 2wb1 n LEU 284 CO 0.58 0.00 0.50 -0.65 0.00 0.00 0.00 177.39 177.82 2wb1 h PRO 285 N 0.17 -0.33 -0.50 1.96 0.11 -1.88 -3.49 132.00 128.03 2wb1 h PRO 285 Ca -0.04 0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.76 2wb1 h PRO 285 Cb 0.09 0.08 -0.23 0.00 0.11 0.00 0.00 31.00 31.04 2wb1 h PRO 285 CO 0.01 0.02 -0.39 -0.35 -0.21 0.00 0.00 178.00 177.09 2wb1 n PRO 286 N -5.06 2.59 -2.25 1.05 -0.04 -1.26 -5.04 135.00 124.99 2wb1 n PRO 286 Ca -0.09 -3.63 -0.00 0.00 -0.04 0.00 0.00 63.50 59.73 2wb1 n PRO 286 Cb 0.26 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2wb1 n PRO 286 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2wb1 n SER 287 N -0.93 -2.67 -4.42 3.54 2.88 -1.26 -4.72 113.62 106.04 2wb1 n SER 287 Ca 0.37 1.14 -0.20 0.00 -1.33 0.00 0.00 58.87 58.85 2wb1 n SER 287 Cb 0.89 -2.20 -0.10 0.00 -0.75 0.00 0.00 64.21 62.05 2wb1 n SER 287 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wb1 s LYS 288 N -0.11 1.55 -0.09 -1.46 1.02 -1.26 -3.38 119.74 116.00 2wb1 s LYS 288 Ca -0.01 -1.82 -0.04 0.00 0.02 0.00 0.00 55.97 54.12 2wb1 s LYS 288 Cb 0.00 -0.92 0.05 0.00 -0.52 0.00 0.00 37.83 36.44 2wb1 s LYS 288 CO 0.03 -0.09 0.21 -1.01 -0.92 0.00 0.00 175.35 173.57 2wb1 s HIS 289 N -3.22 -0.28 0.00 3.18 3.76 -1.18 -4.91 115.29 112.64 2wb1 s HIS 289 Ca 0.32 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.94 2wb1 s HIS 289 Cb 0.06 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.73 2wb1 s HIS 289 CO 0.13 -0.23 0.00 0.54 -0.85 0.00 0.00 174.74 174.33 2wb1 n ARG 290 N 4.44 0.00 0.00 1.40 3.00 -1.26 -3.64 116.66 120.60 2wb1 n ARG 290 Ca -0.22 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 57.68 2wb1 n ARG 290 Cb 0.52 0.00 0.34 0.00 0.00 0.00 0.00 32.46 33.31 2wb1 n ARG 290 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2wb1 n SER 291 N 0.00 0.00 -1.95 0.55 3.41 -1.26 -4.85 113.62 109.52 2wb1 n SER 291 Ca 0.00 0.04 -0.20 0.00 -0.26 0.00 0.00 58.87 58.46 2wb1 n SER 291 Cb 0.00 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 63.65 2wb1 n SER 291 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wb1 n GLY 292 N -0.18 0.79 3.49 5.00 0.00 -1.24 -4.98 105.19 108.06 2wb1 n GLY 292 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2wb1 n GLY 292 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wb1 s ARG 293 N -4.30 2.99 0.55 1.61 3.52 -1.26 -4.87 118.95 117.19 2wb1 s ARG 293 Ca 0.00 -0.62 -0.18 0.00 -0.13 0.00 0.00 55.73 54.80 2wb1 s ARG 293 Cb 0.00 -2.59 -0.11 0.00 -1.56 0.00 0.00 34.95 30.69 2wb1 s ARG 293 CO 0.00 0.47 0.31 -2.30 -0.81 0.00 0.00 175.30 172.97 2wb1 n PRO 294 N 2.79 0.34 -3.82 5.12 -0.02 -1.26 -3.10 135.00 135.04 2wb1 n PRO 294 Ca -0.18 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 2wb1 n PRO 294 Cb 0.53 -1.47 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 2wb1 n PRO 294 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wb1 s LEU 295 N 2.14 4.31 -0.76 2.45 2.01 -1.22 -4.87 118.68 122.74 2wb1 s LEU 295 Ca 0.65 0.35 -0.18 0.00 0.01 0.00 0.00 54.13 54.96 2wb1 s LEU 295 Cb -0.46 -3.07 0.14 0.00 0.01 0.00 0.00 46.19 42.81 2wb1 s LEU 295 CO 0.58 0.08 0.86 -0.13 1.01 0.00 0.00 176.35 178.75 2wb1 s ARG 296 N -2.84 3.37 0.64 1.70 3.00 -1.26 -4.96 118.95 118.60 2wb1 s ARG 296 Ca 0.37 -1.75 -0.05 0.00 0.00 0.00 0.00 55.73 54.29 2wb1 s ARG 296 Cb -0.12 -4.52 0.14 0.00 0.00 0.00 0.00 34.95 30.45 2wb1 s ARG 296 CO 0.28 -1.56 0.87 0.25 0.00 0.00 0.00 175.30 175.14 2wb1 n THR 297 N 5.12 0.00 0.15 0.02 -2.24 -1.26 -4.81 114.28 111.26 2wb1 n THR 297 Ca 0.07 -1.02 0.03 0.00 -2.27 0.00 0.00 64.05 60.87 2wb1 n THR 297 Cb 0.46 -1.27 0.42 0.00 -2.10 0.00 0.00 70.33 67.84 2wb1 n THR 297 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wb1 h LEU 298 N 0.00 0.15 -3.15 3.22 3.38 -1.18 -1.59 115.31 116.13 2wb1 h LEU 298 Ca -0.29 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 2wb1 h LEU 298 Cb 0.93 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2wb1 h LEU 298 CO 0.26 0.33 0.12 0.00 0.09 0.00 0.00 178.44 179.23 2wb1 n ALA 299 N -2.49 3.91 0.00 1.53 0.00 0.22 -3.88 120.51 119.80 2wb1 n ALA 299 Ca -0.01 -1.69 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2wb1 n ALA 299 Cb 0.27 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2wb1 n ALA 299 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wb1 n GLN 300 N 0.20 3.10 -0.23 0.00 6.02 -0.86 -4.12 117.38 121.48 2wb1 n GLN 300 Ca 0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.25 2wb1 n GLN 300 Cb 1.10 -0.68 0.10 0.00 1.02 0.00 0.00 30.24 31.78 2wb1 n GLN 300 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wb1 h ARG 301 N 0.00 0.65 0.02 -1.09 3.08 -1.42 -2.78 114.38 112.84 2wb1 h ARG 301 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2wb1 h ARG 301 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2wb1 h ARG 301 CO 0.00 0.43 -0.14 -0.07 -1.07 0.00 0.00 179.97 179.12 2wb1 h LEU 302 N 0.67 0.09 -2.03 3.04 3.38 -1.81 -3.33 115.31 115.32 2wb1 h LEU 302 Ca 0.30 -0.91 0.09 0.00 0.09 0.00 0.00 57.88 57.46 2wb1 h LEU 302 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2wb1 h LEU 302 CO -0.19 0.99 0.25 0.50 0.09 0.00 0.00 178.44 180.08 2wb1 h LYS 303 N -0.79 0.00 -7.01 1.13 3.64 -1.70 -3.40 116.57 108.43 2wb1 h LYS 303 Ca -0.02 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.80 2wb1 h LYS 303 Cb 1.03 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 33.02 2wb1 h LYS 303 CO 0.03 0.00 0.21 0.41 -2.27 0.00 0.00 179.45 177.83 2wb1 n GLY 304 N -1.58 -0.18 0.35 5.01 0.00 -1.05 -4.89 105.19 102.85 2wb1 n GLY 304 Ca 0.05 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.80 2wb1 n GLY 304 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wb1 n LYS 305 N -2.06 1.45 0.00 1.61 5.02 -1.26 -3.24 118.16 119.68 2wb1 n LYS 305 Ca 0.14 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 2wb1 n LYS 305 Cb 0.49 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 2wb1 n LYS 305 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wb1 n GLU 306 N 0.02 0.01 -4.61 1.97 1.02 -1.26 -4.51 120.64 113.28 2wb1 n GLU 306 Ca 0.09 -0.37 -0.30 0.00 -0.02 0.00 0.00 57.16 56.57 2wb1 n GLU 306 Cb 0.18 -0.50 -0.17 0.00 -0.02 0.00 0.00 31.44 30.93 2wb1 n GLU 306 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2wb1 s GLY 307 N -0.00 1.14 0.00 0.62 0.00 -1.20 -4.24 107.32 103.64 2wb1 s GLY 307 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2wb1 s GLY 307 CO 0.00 0.09 0.00 0.54 0.00 0.00 0.00 173.10 173.73 2wb1 n ARG 308 N 4.06 0.00 -0.24 2.90 5.12 -1.25 -3.75 116.66 123.49 2wb1 n ARG 308 Ca -0.20 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.77 2wb1 n ARG 308 Cb 0.52 0.00 0.16 0.00 -1.16 0.00 0.00 32.46 31.97 2wb1 n ARG 308 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 2wb1 h PHE 309 N 0.00 0.09 0.12 -1.55 0.05 -1.86 1.06 116.94 114.84 2wb1 h PHE 309 Ca 0.00 0.05 -0.34 0.00 3.82 0.00 0.00 57.97 61.50 2wb1 h PHE 309 Cb 0.00 0.07 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 2wb1 h PHE 309 CO 0.00 -0.17 -1.83 0.00 -0.18 0.00 0.00 178.31 176.13 2wb1 h ARG 310 N 0.17 0.26 0.04 1.51 3.08 -1.79 -0.74 114.38 116.91 2wb1 h ARG 310 Ca 0.40 -0.44 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2wb1 h ARG 310 Cb 0.69 0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.92 2wb1 h ARG 310 CO -0.58 1.21 -0.56 0.78 -1.07 0.00 0.00 179.97 179.75 2wb1 h GLY 311 N 0.72 0.35 0.00 0.04 0.00 -1.53 -3.30 103.07 99.35 2wb1 h GLY 311 Ca -0.39 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.24 2wb1 h GLY 311 CO 0.07 0.61 0.00 0.70 0.00 0.00 0.00 176.54 177.92 2wb1 n ASN 312 N -4.27 0.80 0.02 0.19 5.03 0.29 -4.37 115.26 112.95 2wb1 n ASN 312 Ca -0.11 -1.14 0.00 0.00 0.87 0.00 0.00 54.58 54.19 2wb1 n ASN 312 Cb 0.67 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.43 2wb1 n ASN 312 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2wb1 n LEU 313 N -0.07 0.44 0.06 3.41 4.77 0.29 -4.83 117.00 121.06 2wb1 n LEU 313 Ca 0.00 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 2wb1 n LEU 313 Cb 0.14 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2wb1 n LEU 313 CO 0.00 -0.33 0.03 -0.24 -1.33 0.00 0.00 177.39 175.52 2wb1 n SER 314 N -3.19 0.68 -3.65 -1.43 2.88 -0.28 -4.83 113.62 103.79 2wb1 n SER 314 Ca 0.00 0.10 -0.03 0.00 -1.33 0.00 0.00 58.87 57.61 2wb1 n SER 314 Cb 0.28 0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 64.29 2wb1 n SER 314 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wb1 s GLY 315 N -4.01 -0.66 0.33 0.46 0.00 -1.24 -5.06 107.32 97.14 2wb1 s GLY 315 Ca 0.02 2.19 0.09 0.00 0.00 0.00 0.00 44.72 47.01 2wb1 s GLY 315 CO 0.79 2.93 -0.08 0.54 0.00 0.00 0.00 173.10 177.28 2wb1 s LYS 316 N 2.82 1.76 0.23 2.90 1.02 -1.26 -3.98 119.74 123.23 2wb1 s LYS 316 Ca -0.05 -1.91 -0.30 0.00 0.02 0.00 0.00 55.97 53.73 2wb1 s LYS 316 Cb -0.12 -1.55 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 2wb1 s LYS 316 CO -0.18 0.10 1.18 1.03 -0.92 0.00 0.00 175.35 176.56 2wb1 s ARG 317 N -3.65 4.53 0.11 1.68 0.52 -1.26 -5.04 118.95 115.83 2wb1 s ARG 317 Ca 0.32 1.89 0.08 0.00 -0.52 0.00 0.00 55.73 57.50 2wb1 s ARG 317 Cb 0.03 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2wb1 s ARG 317 CO 0.15 0.00 -0.19 0.14 0.02 0.00 0.00 175.30 175.42 2wb1 s VAL 318 N -0.55 1.64 0.63 3.52 -7.23 -1.26 -5.15 120.40 112.01 2wb1 s VAL 318 Ca 0.50 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.99 2wb1 s VAL 318 Cb -0.33 -1.54 0.16 0.00 0.56 0.00 0.00 36.38 35.23 2wb1 s VAL 318 CO 0.40 -0.13 0.54 0.47 -0.31 0.00 0.00 175.10 176.07 2wb1 n ASP 319 N 0.98 -1.70 -3.79 4.85 9.92 -1.26 -4.44 116.55 121.11 2wb1 n ASP 319 Ca -0.19 -0.80 -0.23 0.00 -0.53 0.00 0.00 54.79 53.04 2wb1 n ASP 319 Cb 0.54 -0.51 0.01 0.00 -0.64 0.00 0.00 41.12 40.52 2wb1 n ASP 319 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2wb1 n PHE 320 N -3.76 -0.79 -4.08 1.24 3.01 -1.26 -4.82 117.46 106.99 2wb1 n PHE 320 Ca 0.08 0.10 -0.09 0.00 1.01 0.00 0.00 57.45 58.55 2wb1 n PHE 320 Cb 0.30 -1.46 -0.10 0.00 -0.01 0.00 0.00 39.48 38.20 2wb1 n PHE 320 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2wb1 s SER 321 N -3.89 0.64 0.02 4.37 1.04 -1.26 -1.56 113.70 113.05 2wb1 s SER 321 Ca 0.22 -0.85 -0.16 0.00 0.48 0.00 0.00 55.95 55.63 2wb1 s SER 321 Cb -0.12 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.17 2wb1 s SER 321 CO 0.51 -0.47 0.36 -0.55 0.98 0.00 0.00 173.24 174.08 2wb1 s SER 322 N -2.51 -0.23 -0.20 7.02 0.15 0.25 -4.98 113.70 113.21 2wb1 s SER 322 Ca 0.02 -0.01 -0.04 0.00 0.70 0.00 0.00 55.95 56.62 2wb1 s SER 322 Cb 0.02 0.38 0.10 0.00 -1.71 0.00 0.00 66.02 64.81 2wb1 s SER 322 CO -0.06 -0.59 0.29 -0.60 1.20 0.00 0.00 173.24 173.48 2wb1 s ARG 323 N -2.16 0.23 0.21 5.44 3.52 -1.26 -0.28 118.95 124.67 2wb1 s ARG 323 Ca -0.07 0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 55.97 2wb1 s ARG 323 Cb -0.02 -0.63 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 2wb1 s ARG 323 CO -0.00 -0.54 0.20 0.99 -0.81 0.00 0.00 175.30 175.13 2wb1 s THR 324 N 2.43 0.00 0.47 4.11 2.01 -1.21 -4.95 115.64 118.49 2wb1 s THR 324 Ca 0.07 -1.90 -0.24 0.00 0.31 0.00 0.00 61.69 59.94 2wb1 s THR 324 Cb -0.15 -2.45 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 2wb1 s THR 324 CO -0.12 0.00 1.27 -0.69 -0.69 0.00 0.00 174.62 174.38 2wb1 s VAL 325 N -4.09 2.65 -0.14 3.82 1.01 -1.26 -1.81 120.40 120.57 2wb1 s VAL 325 Ca 0.36 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.76 2wb1 s VAL 325 Cb 0.05 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 2wb1 s VAL 325 CO 0.12 0.02 0.19 0.27 0.00 0.00 0.00 175.10 175.71 2wb1 s ILE 326 N -1.38 5.39 0.26 2.22 -4.36 0.12 -1.95 121.20 121.50 2wb1 s ILE 326 Ca 0.64 0.32 0.12 0.00 -0.26 0.00 0.00 60.65 61.47 2wb1 s ILE 326 Cb -0.35 -3.50 -0.05 0.00 1.25 0.00 0.00 42.46 39.81 2wb1 s ILE 326 CO 0.43 0.51 -0.20 -0.94 0.24 0.00 0.00 174.94 174.98 2wb1 s SER 327 N -0.28 3.59 0.98 4.36 1.04 -0.09 -4.57 113.70 118.72 2wb1 s SER 327 Ca 0.14 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.44 2wb1 s SER 327 Cb -0.12 -0.31 0.19 0.00 0.10 0.00 0.00 66.02 65.87 2wb1 s SER 327 CO 0.03 0.06 1.20 -2.16 0.98 0.00 0.00 173.24 173.34 2wb1 s PRO 328 N -3.31 0.53 -0.30 4.02 0.04 -1.26 -2.75 135.00 131.97 2wb1 s PRO 328 Ca 0.28 -0.04 -0.10 0.00 0.04 0.00 0.00 61.00 61.18 2wb1 s PRO 328 Cb -0.06 -1.80 0.18 0.00 0.04 0.00 0.00 34.50 32.86 2wb1 s PRO 328 CO 0.14 -2.55 0.89 0.34 0.04 0.00 0.00 177.00 175.86 2wb1 s ASP 329 N -4.34 -0.79 0.32 6.66 3.68 -0.85 -4.70 116.67 116.66 2wb1 s ASP 329 Ca 0.69 0.62 0.15 0.00 2.13 0.00 0.00 52.55 56.13 2wb1 s ASP 329 Cb -0.10 1.71 0.48 0.00 -1.45 0.00 0.00 42.92 43.57 2wb1 s ASP 329 CO 0.53 -0.15 1.65 1.55 0.13 0.00 0.00 175.17 178.88 2wb1 h PRO 330 N 7.91 0.00 -7.11 4.34 0.13 -1.98 -3.31 132.00 131.98 2wb1 h PRO 330 Ca -0.17 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.51 2wb1 h PRO 330 Cb 1.16 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.36 2wb1 h PRO 330 CO 0.05 0.50 0.11 -0.80 -0.23 0.00 0.00 178.00 177.63 2wb1 s ASN 331 N -6.59 4.62 0.20 1.44 0.01 -1.26 -4.88 114.94 108.48 2wb1 s ASN 331 Ca -0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2wb1 s ASN 331 Cb 0.11 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.29 2wb1 s ASN 331 CO 0.72 -1.66 0.00 2.30 -1.51 0.00 0.00 177.10 176.95 2wb1 n ILE 332 N -2.77 -4.41 -1.25 0.60 -5.35 -1.26 -4.85 119.36 100.07 2wb1 n ILE 332 Ca 0.12 1.55 -0.34 0.00 -0.27 0.00 0.00 62.75 63.80 2wb1 n ILE 332 Cb 0.60 -2.62 0.11 0.00 -1.74 0.00 0.00 39.64 35.99 2wb1 n ILE 332 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2wb1 n SER 333 N 0.22 1.14 -0.24 7.28 2.88 -1.26 -4.74 113.62 118.90 2wb1 n SER 333 Ca 0.00 0.64 0.03 0.00 -1.33 0.00 0.00 58.87 58.21 2wb1 n SER 333 Cb 0.00 -1.50 0.15 0.00 -0.75 0.00 0.00 64.21 62.11 2wb1 n SER 333 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2wb1 h ILE 334 N -0.57 0.68 0.00 2.46 2.04 -1.95 0.14 117.51 120.31 2wb1 h ILE 334 Ca -0.47 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2wb1 h ILE 334 Cb 1.31 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2wb1 h ILE 334 CO 0.47 0.07 -0.02 0.44 0.00 0.00 0.00 178.15 179.12 2wb1 h ASP 335 N 0.41 0.00 -3.75 1.72 5.19 -1.93 -3.46 116.42 114.60 2wb1 h ASP 335 Ca 0.37 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 56.29 2wb1 h ASP 335 Cb 0.54 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2wb1 h ASP 335 CO -0.38 0.02 0.13 -1.61 -3.12 0.00 0.00 179.24 174.27 2wb1 s GLU 336 N -4.53 3.93 -0.09 3.56 2.02 0.49 0.11 118.70 124.19 2wb1 s GLU 336 Ca -0.05 0.63 0.04 0.00 0.02 0.00 0.00 54.97 55.61 2wb1 s GLU 336 Cb 0.15 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2wb1 s GLU 336 CO 0.54 0.06 -0.21 0.54 0.02 0.00 0.00 175.26 176.21 2wb1 s VAL 337 N -2.15 1.85 -0.14 2.63 0.11 0.10 -4.57 120.40 118.23 2wb1 s VAL 337 Ca 0.54 -0.90 -0.29 0.00 -2.93 0.00 0.00 61.98 58.40 2wb1 s VAL 337 Cb -0.10 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.12 2wb1 s VAL 337 CO 0.22 0.51 1.11 -0.83 -3.33 0.00 0.00 175.10 172.79 2wb1 s GLY 338 N 0.44 1.97 -0.10 6.54 0.00 -0.07 -1.41 107.32 114.70 2wb1 s GLY 338 Ca -0.17 0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.97 2wb1 s GLY 338 CO 0.07 2.17 -0.21 0.14 0.00 0.00 0.00 173.10 175.28 2wb1 s VAL 339 N 2.68 2.38 0.65 1.40 1.01 -0.78 -1.24 120.40 126.50 2wb1 s VAL 339 Ca 0.50 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 2wb1 s VAL 339 Cb -0.19 -1.94 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2wb1 s VAL 339 CO 0.15 0.55 1.19 -2.84 0.00 0.00 0.00 175.10 174.15 2wb1 s PRO 340 N 0.27 2.65 0.10 2.72 0.02 -1.26 -1.04 135.00 138.47 2wb1 s PRO 340 Ca -0.15 1.72 -0.20 0.00 0.02 0.00 0.00 61.00 62.40 2wb1 s PRO 340 Cb -0.17 -1.90 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 2wb1 s PRO 340 CO 0.07 -1.43 1.67 1.49 -0.33 0.00 0.00 177.00 178.47 2wb1 h GLU 341 N 0.32 0.31 -0.99 5.54 4.81 -1.79 -1.89 114.58 120.89 2wb1 h GLU 341 Ca -0.49 -0.05 0.18 0.00 -0.13 0.00 0.00 59.36 58.88 2wb1 h GLU 341 Cb 1.29 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 30.51 2wb1 h GLU 341 CO 0.53 0.33 0.61 0.82 -0.73 0.00 0.00 179.01 180.57 2wb1 h ILE 342 N 0.22 0.73 -0.32 2.32 1.08 -1.92 0.25 117.51 119.86 2wb1 h ILE 342 Ca 0.07 -0.26 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 2wb1 h ILE 342 Cb 0.12 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 33.78 2wb1 h ILE 342 CO -0.01 0.14 -0.20 0.40 -0.69 0.00 0.00 178.15 177.79 2wb1 h ILE 343 N 0.75 1.29 0.00 -0.67 1.08 -1.87 -3.16 117.51 114.93 2wb1 h ILE 343 Ca 0.56 -1.33 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2wb1 h ILE 343 Cb 0.89 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2wb1 h ILE 343 CO -0.34 0.43 0.00 0.00 -0.69 0.00 0.00 178.15 177.55 2wb1 n ALA 344 N -2.47 1.61 -0.04 1.87 0.00 0.77 -1.20 120.51 121.06 2wb1 n ALA 344 Ca -0.03 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2wb1 n ALA 344 Cb 0.41 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 2wb1 n ALA 344 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wb1 n ARG 345 N -2.09 0.65 -0.06 0.00 1.74 -0.55 -2.75 116.66 113.60 2wb1 n ARG 345 Ca 0.02 0.19 -0.03 0.00 -0.77 0.00 0.00 57.85 57.27 2wb1 n ARG 345 Cb 0.20 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.91 2wb1 n ARG 345 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2wb1 h THR 346 N 0.00 0.18 -2.95 0.55 2.02 -1.29 -3.45 112.91 107.97 2wb1 h THR 346 Ca -0.34 -1.15 -0.53 0.00 0.77 0.00 0.00 66.41 65.17 2wb1 h THR 346 Cb 2.00 0.35 0.02 0.00 -1.74 0.00 0.00 68.15 68.79 2wb1 h THR 346 CO 0.06 0.06 0.77 -0.76 0.37 0.00 0.00 175.52 176.02 2wb1 s LEU 347 N -8.45 4.37 0.05 2.58 1.43 -0.34 -5.02 118.68 113.29 2wb1 s LEU 347 Ca -0.05 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.43 2wb1 s LEU 347 Cb 0.00 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2wb1 s LEU 347 CO 0.11 -0.70 -0.07 0.42 0.23 0.00 0.00 176.35 176.35 2wb1 s THR 348 N 1.30 0.52 -0.03 5.49 -4.23 -1.26 -3.68 115.64 113.75 2wb1 s THR 348 Ca 0.66 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2wb1 s THR 348 Cb -0.38 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 2wb1 s THR 348 CO 0.30 -0.52 -0.02 0.68 -0.54 0.00 0.00 174.62 174.52 2wb1 s VAL 349 N -1.95 4.03 -0.71 2.29 -7.23 -0.20 -4.85 120.40 111.78 2wb1 s VAL 349 Ca -0.05 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.39 2wb1 s VAL 349 Cb -0.06 -2.74 0.10 0.00 0.56 0.00 0.00 36.38 34.23 2wb1 s VAL 349 CO -0.01 0.47 0.94 -2.16 -0.31 0.00 0.00 175.10 174.03 2wb1 s PRO 350 N -1.24 3.22 -0.26 4.82 0.04 -1.26 -1.62 135.00 138.70 2wb1 s PRO 350 Ca 0.16 -1.20 -0.13 0.00 0.04 0.00 0.00 61.00 59.88 2wb1 s PRO 350 Cb -0.11 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 2wb1 s PRO 350 CO 0.06 -1.74 0.27 -2.00 0.04 0.00 0.00 177.00 173.64 2wb1 s GLU 351 N 3.35 4.01 0.45 4.56 2.12 -0.67 -4.92 118.70 127.60 2wb1 s GLU 351 Ca 0.22 -0.14 -0.20 0.00 0.36 0.00 0.00 54.97 55.21 2wb1 s GLU 351 Cb -0.16 -3.63 -0.10 0.00 0.26 0.00 0.00 34.13 30.50 2wb1 s GLU 351 CO 0.04 -0.17 0.97 1.03 -0.54 0.00 0.00 175.26 176.59 2wb1 s ARG 352 N 1.73 4.14 -0.09 4.30 0.52 -1.26 -1.01 118.95 127.27 2wb1 s ARG 352 Ca 0.11 1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 56.15 2wb1 s ARG 352 Cb -0.15 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 2wb1 s ARG 352 CO 0.09 -0.11 1.41 0.42 0.02 0.00 0.00 175.30 177.13 2wb1 s ILE 353 N -2.21 3.95 -0.05 1.52 1.09 -0.39 -4.91 121.20 120.19 2wb1 s ILE 353 Ca 0.62 1.19 0.05 0.00 -1.10 0.00 0.00 60.65 61.41 2wb1 s ILE 353 Cb -0.10 -3.77 -0.02 0.00 -1.06 0.00 0.00 42.46 37.51 2wb1 s ILE 353 CO 0.16 -0.08 -0.18 0.42 -0.10 0.00 0.00 174.94 175.16 2wb1 s THR 354 N 3.40 2.70 -0.05 2.92 -4.23 -1.26 -4.35 115.64 114.76 2wb1 s THR 354 Ca 0.63 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2wb1 s THR 354 Cb -0.27 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2wb1 s THR 354 CO 0.22 0.58 0.11 -2.65 -0.54 0.00 0.00 174.62 172.35 2wb1 n PRO 355 N 2.48 0.00 0.00 3.99 -0.02 -1.26 -1.25 135.00 138.94 2wb1 n PRO 355 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2wb1 n PRO 355 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2wb1 n PRO 355 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2wb1 n TRP 356 N -0.61 0.00 1.24 6.00 2.14 -1.26 -4.72 117.44 120.22 2wb1 n TRP 356 Ca 0.00 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.71 2wb1 n TRP 356 Cb 0.10 0.00 0.68 0.00 -0.81 0.00 0.00 31.31 31.28 2wb1 n TRP 356 CO 0.00 0.00 0.00 0.27 2.07 0.00 0.00 177.69 180.03 2wb1 n ASN 357 N -1.42 0.00 -0.14 -0.67 0.23 -0.38 -4.43 115.26 108.45 2wb1 n ASN 357 Ca 0.00 0.06 -0.04 0.00 -0.53 0.00 0.00 54.58 54.07 2wb1 n ASN 357 Cb 0.25 -0.35 0.02 0.00 -2.08 0.00 0.00 39.78 37.63 2wb1 n ASN 357 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 2wb1 h ILE 358 N 0.00 0.40 -0.32 1.53 6.09 -1.80 -1.66 117.51 121.74 2wb1 h ILE 358 Ca 0.00 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.41 2wb1 h ILE 358 Cb 0.33 0.40 -0.02 0.00 0.47 0.00 0.00 36.82 38.00 2wb1 h ILE 358 CO 0.00 0.00 -0.13 -0.08 -3.07 0.00 0.00 178.15 174.87 2wb1 h GLU 359 N -0.10 0.56 -0.76 2.19 4.57 -1.92 -1.28 114.58 117.84 2wb1 h GLU 359 Ca 0.22 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 2wb1 h GLU 359 Cb 0.44 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 2wb1 h GLU 359 CO -0.53 0.68 0.40 -0.22 -1.18 0.00 0.00 179.01 178.16 2wb1 h LYS 360 N 0.51 1.08 0.00 1.92 3.64 -1.62 -2.82 116.57 119.29 2wb1 h LYS 360 Ca 0.09 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2wb1 h LYS 360 Cb 0.53 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2wb1 h LYS 360 CO 0.03 0.82 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.82 2wb1 h LEU 361 N 1.06 0.00 -0.82 5.20 4.07 -0.91 -3.06 115.31 120.86 2wb1 h LEU 361 Ca 0.27 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.11 2wb1 h LEU 361 Cb 0.07 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 2wb1 h LEU 361 CO -0.04 0.00 -0.54 0.03 -1.08 0.00 0.00 178.44 176.81 2wb1 h ARG 362 N 0.00 0.00 0.01 1.13 3.08 -1.13 -2.86 114.38 114.61 2wb1 h ARG 362 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2wb1 h ARG 362 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.03 2wb1 h ARG 362 CO 0.00 0.54 -0.88 0.37 -1.07 0.00 0.00 179.97 178.92 2wb1 h GLN 363 N 0.00 0.08 0.09 0.04 5.75 -1.40 -1.79 115.11 117.88 2wb1 h GLN 363 Ca -0.01 -0.09 -0.19 0.00 -0.15 0.00 0.00 58.65 58.21 2wb1 h GLN 363 Cb 1.03 0.03 0.02 0.00 1.07 0.00 0.00 27.48 29.63 2wb1 h GLN 363 CO 0.07 0.91 -0.79 0.74 -2.65 0.00 0.00 178.83 177.11 2wb1 h PHE 364 N 0.04 0.62 0.00 3.99 0.05 -1.61 -3.08 116.94 116.95 2wb1 h PHE 364 Ca -0.03 -0.40 -0.05 0.00 3.82 0.00 0.00 57.97 61.31 2wb1 h PHE 364 Cb 1.54 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 39.44 2wb1 h PHE 364 CO 0.01 1.27 -0.25 -0.24 -0.18 0.00 0.00 178.31 178.92 2wb1 h VAL 365 N -0.21 1.08 0.00 -0.55 3.04 -1.53 -1.57 116.25 116.50 2wb1 h VAL 365 Ca -0.12 -0.90 -0.10 0.00 -1.01 0.00 0.00 66.70 64.57 2wb1 h VAL 365 Cb 1.56 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 32.32 2wb1 h VAL 365 CO 0.15 0.25 -0.45 -0.29 -1.01 0.00 0.00 177.57 176.21 2wb1 h ILE 366 N 0.00 0.85 -0.28 3.17 -0.00 -1.43 -3.30 117.51 116.53 2wb1 h ILE 366 Ca -0.00 -1.97 -0.16 0.00 -0.00 0.00 0.00 64.86 62.74 2wb1 h ILE 366 Cb 0.48 2.25 -0.01 0.00 -0.00 0.00 0.00 36.82 39.54 2wb1 h ILE 366 CO 0.03 0.44 -0.46 0.78 -0.00 0.00 0.00 178.15 178.95 2wb1 h ASN 367 N 0.00 0.78 -4.36 2.19 2.35 -1.19 -3.46 115.58 111.89 2wb1 h ASN 367 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2wb1 h ASN 367 Cb 1.21 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2wb1 h ASN 367 CO 0.06 1.12 0.00 0.61 -1.65 0.00 0.00 177.43 177.57 2wb1 n GLY 368 N 0.15 -0.82 1.00 2.83 0.00 -1.09 -4.28 105.19 102.97 2wb1 n GLY 368 Ca -0.03 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2wb1 n GLY 368 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wb1 n PRO 369 N -0.69 0.71 0.00 1.61 -0.04 -1.00 -3.51 135.00 132.08 2wb1 n PRO 369 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2wb1 n PRO 369 Cb 0.00 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2wb1 n PRO 369 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wb1 n ASP 370 N 0.64 2.00 -4.75 3.54 10.43 -1.26 -5.00 116.55 122.15 2wb1 n ASP 370 Ca 0.00 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 56.98 2wb1 n ASP 370 Cb 0.35 0.20 -0.06 0.00 1.84 0.00 0.00 41.12 43.45 2wb1 n ASP 370 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2wb1 s LYS 371 N -1.40 4.24 0.03 -1.24 2.36 -1.23 -5.04 119.74 117.46 2wb1 s LYS 371 Ca 0.00 0.41 -0.07 0.00 -2.55 0.00 0.00 55.97 53.76 2wb1 s LYS 371 Cb 0.00 -3.38 -0.02 0.00 -1.05 0.00 0.00 37.83 33.37 2wb1 s LYS 371 CO 0.00 0.29 1.12 2.35 1.55 0.00 0.00 175.35 180.66 2wb1 h TRP 372 N 6.22 -0.37 -0.33 4.03 7.01 -1.94 -3.28 115.95 127.29 2wb1 h TRP 372 Ca -0.43 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 60.49 2wb1 h TRP 372 Cb 1.19 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.41 2wb1 h TRP 372 CO 0.64 -0.11 0.27 -2.14 -2.79 0.00 0.00 178.44 174.31 2wb1 s PRO 373 N -3.57 1.68 0.00 2.65 0.02 -1.26 -4.69 135.00 129.83 2wb1 s PRO 373 Ca -0.03 -0.17 0.00 0.00 0.02 0.00 0.00 61.00 60.82 2wb1 s PRO 373 Cb 0.02 -4.95 0.00 0.00 0.02 0.00 0.00 34.50 29.58 2wb1 s PRO 373 CO 0.13 -4.65 0.00 0.41 -0.33 0.00 0.00 177.00 172.57 2wb1 n GLY 374 N 6.45 3.08 3.21 0.52 0.00 -1.24 -4.38 105.19 112.83 2wb1 n GLY 374 Ca 0.44 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 2wb1 n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 s ALA 375 N -1.28 0.04 -0.23 4.61 0.00 -1.19 0.00 121.76 123.71 2wb1 s ALA 375 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 2wb1 s ALA 375 Cb 0.00 0.56 -0.10 0.00 0.00 0.00 0.00 23.12 23.59 2wb1 s ALA 375 CO 0.00 -0.51 -0.30 0.09 0.00 0.00 0.00 175.76 175.04 2wb1 n ASN 376 N -0.07 1.64 -0.19 0.00 3.02 -0.72 -2.36 115.26 116.59 2wb1 n ASN 376 Ca -0.12 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2wb1 n ASN 376 Cb 0.62 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2wb1 n ASN 376 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wb1 n TYR 377 N -4.06 0.00 -3.15 3.10 4.01 -1.17 -2.20 117.16 113.69 2wb1 n TYR 377 Ca -0.43 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.37 2wb1 n TYR 377 Cb 0.79 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.81 2wb1 n TYR 377 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wb1 s VAL 378 N 0.75 -0.08 -0.10 -0.72 0.11 -1.16 -3.66 120.40 115.54 2wb1 s VAL 378 Ca 0.00 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 2wb1 s VAL 378 Cb 0.00 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2wb1 s VAL 378 CO 0.00 0.00 1.03 -0.63 -3.33 0.00 0.00 175.10 172.17 2wb1 s ILE 379 N 2.99 4.72 0.64 7.04 1.01 0.48 -2.57 121.20 135.50 2wb1 s ILE 379 Ca 0.11 1.99 -0.11 0.00 0.00 0.00 0.00 60.65 62.64 2wb1 s ILE 379 Cb -0.04 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2wb1 s ILE 379 CO -0.15 -0.00 1.04 -0.13 0.00 0.00 0.00 174.94 175.70 2wb1 s ARG 380 N 2.07 3.41 0.00 2.79 0.52 -0.59 -0.35 118.95 126.80 2wb1 s ARG 380 Ca 0.49 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 56.54 2wb1 s ARG 380 Cb -0.19 -2.05 0.01 0.00 0.52 0.00 0.00 34.95 33.24 2wb1 s ARG 380 CO 0.18 -0.72 0.89 -0.35 0.02 0.00 0.00 175.30 175.32 2wb1 n PRO 381 N -2.76 0.00 0.09 3.54 -0.04 -1.24 -0.60 135.00 134.00 2wb1 n PRO 381 Ca 0.07 0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.87 2wb1 n PRO 381 Cb 0.54 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.68 2wb1 n PRO 381 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wb1 h ASP 382 N 0.00 0.24 0.00 3.54 5.19 -1.91 -3.47 116.42 120.01 2wb1 h ASP 382 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2wb1 h ASP 382 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 2wb1 h ASP 382 CO 0.00 0.70 0.00 0.61 -3.12 0.00 0.00 179.24 177.43 2wb1 n GLY 383 N 0.01 2.68 3.61 2.75 0.00 0.23 -5.09 105.19 109.38 2wb1 n GLY 383 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2wb1 n GLY 383 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wb1 n ARG 384 N -0.78 0.79 -4.81 1.61 0.63 -1.26 -4.69 116.66 108.15 2wb1 n ARG 384 Ca 0.00 0.31 -0.33 0.00 -0.92 0.00 0.00 57.85 56.91 2wb1 n ARG 384 Cb 0.00 -2.15 -0.13 0.00 0.45 0.00 0.00 32.46 30.63 2wb1 n ARG 384 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2wb1 s ARG 385 N -2.84 2.80 -0.31 -0.14 3.52 -1.26 -1.55 118.95 119.16 2wb1 s ARG 385 Ca 0.76 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.71 2wb1 s ARG 385 Cb -0.40 -2.49 0.09 0.00 -1.56 0.00 0.00 34.95 30.59 2wb1 s ARG 385 CO 0.47 0.51 0.04 0.42 -0.81 0.00 0.00 175.30 175.93 2wb1 s ILE 386 N -0.43 1.81 -0.17 4.11 -1.09 -1.06 -5.02 121.20 119.35 2wb1 s ILE 386 Ca 0.05 -1.90 -0.29 0.00 -2.23 0.00 0.00 60.65 56.28 2wb1 s ILE 386 Cb -0.12 -2.28 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 2wb1 s ILE 386 CO 0.02 -0.51 1.32 -0.62 -1.23 0.00 0.00 174.94 173.93 2wb1 s ASP 387 N 1.17 6.86 0.24 3.58 3.68 -1.26 -3.00 116.67 127.93 2wb1 s ASP 387 Ca 0.07 1.69 0.26 0.00 2.13 0.00 0.00 52.55 56.70 2wb1 s ASP 387 Cb -0.19 -2.54 0.79 0.00 -1.45 0.00 0.00 42.92 39.53 2wb1 s ASP 387 CO -0.12 -0.83 1.76 -0.07 0.13 0.00 0.00 175.17 176.04 2wb1 h LEU 388 N 9.99 0.00 -1.77 -1.34 3.38 -1.78 -3.29 115.31 120.49 2wb1 h LEU 388 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wb1 h LEU 388 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2wb1 h LEU 388 CO 0.98 0.00 0.00 -0.09 0.09 0.00 0.00 178.44 179.42 2wb1 h ARG 389 N 0.00 0.00 -1.52 1.13 9.65 -1.92 -3.28 114.38 118.44 2wb1 h ARG 389 Ca 0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.62 2wb1 h ARG 389 Cb 0.73 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.06 2wb1 h ARG 389 CO 0.00 0.00 -0.61 1.52 2.80 0.00 0.00 179.97 183.68 2wb1 s TYR 390 N -3.68 -0.83 -0.07 2.20 -0.85 -1.24 -5.11 117.35 107.77 2wb1 s TYR 390 Ca -0.03 -0.64 -0.03 0.00 -0.52 0.00 0.00 57.07 55.85 2wb1 s TYR 390 Cb 0.08 -0.10 0.04 0.00 0.38 0.00 0.00 41.96 42.35 2wb1 s TYR 390 CO 0.24 -1.08 0.07 0.14 -1.52 0.00 0.00 175.55 173.41 2wb1 s VAL 391 N 1.26 -0.11 -0.19 -3.49 -7.23 -1.24 -4.94 120.40 104.46 2wb1 s VAL 391 Ca 0.21 0.28 -0.34 0.00 -1.81 0.00 0.00 61.98 60.32 2wb1 s VAL 391 Cb -0.07 -0.26 -0.11 0.00 0.56 0.00 0.00 36.38 36.50 2wb1 s VAL 391 CO -0.06 0.07 2.00 0.29 -0.31 0.00 0.00 175.10 177.08 2wb1 n LYS 392 N 5.30 1.79 -2.56 4.82 5.02 -1.26 -4.07 118.16 127.19 2wb1 n LYS 392 Ca -0.04 0.61 -0.04 0.00 -2.02 0.00 0.00 58.31 56.82 2wb1 n LYS 392 Cb 0.50 -2.63 -0.03 0.00 -0.02 0.00 0.00 35.03 32.84 2wb1 n LYS 392 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wb1 n ASP 393 N 8.04 -3.05 0.14 4.39 2.03 -1.26 -4.86 116.55 121.97 2wb1 n ASP 393 Ca 0.29 1.46 0.13 0.00 0.52 0.00 0.00 54.79 57.19 2wb1 n ASP 393 Cb 0.28 -4.99 0.40 0.00 -0.72 0.00 0.00 41.12 36.09 2wb1 n ASP 393 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2wb1 h ARG 394 N 4.24 0.00 0.00 -0.67 2.43 -1.91 -3.05 114.38 115.42 2wb1 h ARG 394 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2wb1 h ARG 394 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2wb1 h ARG 394 CO 0.01 0.00 0.00 -0.22 -1.51 0.00 0.00 179.97 178.25 2wb1 h LYS 395 N 0.00 0.00 0.00 0.20 3.64 -1.91 -3.28 116.57 115.23 2wb1 h LYS 395 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wb1 h LYS 395 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 2wb1 h LYS 395 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 2wb1 n GLU 396 N -2.59 0.00 -0.26 1.90 1.02 -1.15 -3.19 120.64 116.36 2wb1 n GLU 396 Ca 0.02 0.54 0.32 0.00 -0.02 0.00 0.00 57.16 58.02 2wb1 n GLU 396 Cb 0.28 -1.47 0.74 0.00 -0.02 0.00 0.00 31.44 30.97 2wb1 n GLU 396 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wb1 h LEU 397 N 0.00 0.01 -1.25 -4.62 3.38 -1.79 -1.58 115.31 109.46 2wb1 h LEU 397 Ca 0.00 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.22 2wb1 h LEU 397 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 2wb1 h LEU 397 CO 0.00 0.00 0.64 0.00 0.09 0.00 0.00 178.44 179.17 2wb1 h ALA 398 N 1.47 2.06 -0.23 1.53 0.00 -1.63 0.29 119.26 122.75 2wb1 h ALA 398 Ca 0.51 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2wb1 h ALA 398 Cb 2.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2wb1 h ALA 398 CO -0.01 -0.47 0.00 -1.13 0.00 0.00 0.00 179.25 177.64 2wb1 n SER 399 N -4.69 2.58 -0.05 0.00 3.41 -0.59 -4.11 113.62 110.16 2wb1 n SER 399 Ca 0.25 -1.85 -0.11 0.00 -0.26 0.00 0.00 58.87 56.90 2wb1 n SER 399 Cb 0.80 -0.14 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 2wb1 n SER 399 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2wb1 n THR 400 N 0.94 1.55 -1.74 6.66 -1.04 0.97 -4.95 114.28 116.67 2wb1 n THR 400 Ca 0.17 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.05 60.97 2wb1 n THR 400 Cb 0.48 -0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 68.02 2wb1 n THR 400 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wb1 s LEU 401 N -6.01 4.40 0.23 -4.42 1.43 -1.01 -4.99 118.68 108.31 2wb1 s LEU 401 Ca -0.10 2.69 -0.05 0.00 -1.03 0.00 0.00 54.13 55.64 2wb1 s LEU 401 Cb 0.07 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 2wb1 s LEU 401 CO 0.81 -1.00 0.28 0.00 0.23 0.00 0.00 176.35 176.66 2wb1 s ALA 402 N 3.29 0.70 0.38 4.21 0.00 -1.26 -5.09 121.76 123.99 2wb1 s ALA 402 Ca 0.82 -1.43 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 2wb1 s ALA 402 Cb -0.44 1.27 -0.12 0.00 0.00 0.00 0.00 23.12 23.83 2wb1 s ALA 402 CO 0.37 -0.70 0.77 -2.30 0.00 0.00 0.00 175.76 173.90 2wb1 n PRO 403 N -0.35 0.90 0.00 0.00 -0.02 -1.26 -2.22 135.00 132.05 2wb1 n PRO 403 Ca 0.01 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2wb1 n PRO 403 Cb 0.64 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2wb1 n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wb1 n GLY 404 N 1.52 3.11 3.77 -1.23 0.00 -1.26 -5.00 105.19 106.11 2wb1 n GLY 404 Ca 0.11 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2wb1 n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wb1 s TYR 405 N -0.36 2.70 -0.22 1.61 1.51 -0.94 -3.59 117.35 118.06 2wb1 s TYR 405 Ca 0.00 1.54 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 2wb1 s TYR 405 Cb 0.00 -3.31 0.06 0.00 -0.11 0.00 0.00 41.96 38.61 2wb1 s TYR 405 CO 0.00 -1.57 0.00 0.08 -1.11 0.00 0.00 175.55 172.95 2wb1 s VAL 406 N -1.73 0.97 -0.16 0.71 1.01 0.52 -1.26 120.40 120.47 2wb1 s VAL 406 Ca 0.71 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 2wb1 s VAL 406 Cb -0.25 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2wb1 s VAL 406 CO 0.28 -0.20 0.75 -0.69 0.00 0.00 0.00 175.10 175.24 2wb1 s VAL 407 N 1.64 4.95 -0.83 2.92 1.01 -0.18 -0.39 120.40 129.53 2wb1 s VAL 407 Ca -0.02 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 2wb1 s VAL 407 Cb -0.18 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.22 2wb1 s VAL 407 CO -0.08 0.09 1.15 -1.61 0.00 0.00 0.00 175.10 174.65 2wb1 s GLU 408 N 1.82 3.38 0.06 2.72 2.02 -1.24 -1.67 118.70 125.78 2wb1 s GLU 408 Ca 0.35 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 54.23 2wb1 s GLU 408 Cb -0.17 -4.67 -0.04 0.00 0.10 0.00 0.00 34.13 29.35 2wb1 s GLU 408 CO 0.13 -1.91 0.04 0.50 0.02 0.00 0.00 175.26 174.03 2wb1 s ARG 409 N 3.96 2.79 1.06 1.61 3.52 -0.64 -1.76 118.95 129.48 2wb1 s ARG 409 Ca 0.32 -0.69 -0.14 0.00 -0.13 0.00 0.00 55.73 55.09 2wb1 s ARG 409 Cb -0.09 -2.68 0.15 0.00 -1.56 0.00 0.00 34.95 30.78 2wb1 s ARG 409 CO 0.00 0.58 0.60 0.72 -0.81 0.00 0.00 175.30 176.39 2wb1 n HIS 410 N 0.77 -0.95 -2.45 5.12 8.25 0.10 -1.03 115.22 125.03 2wb1 n HIS 410 Ca -0.11 0.13 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 2wb1 n HIS 410 Cb 0.52 -1.74 -0.02 0.00 1.12 0.00 0.00 29.99 29.87 2wb1 n HIS 410 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wb1 s LEU 411 N -3.89 3.97 0.33 2.41 1.02 -1.11 -4.60 118.68 116.81 2wb1 s LEU 411 Ca 0.62 1.32 0.07 0.00 0.02 0.00 0.00 54.13 56.16 2wb1 s LEU 411 Cb -0.20 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.45 2wb1 s LEU 411 CO 0.65 -0.97 0.31 0.42 0.02 0.00 0.00 176.35 176.78 2wb1 s THR 412 N 4.06 3.63 -0.34 5.49 -4.23 -1.26 -4.91 115.64 118.08 2wb1 s THR 412 Ca 0.55 -1.32 -0.39 0.00 -1.18 0.00 0.00 61.69 59.35 2wb1 s THR 412 Cb -0.18 -3.22 -0.15 0.00 1.34 0.00 0.00 72.50 70.29 2wb1 s THR 412 CO 0.20 -0.18 1.97 0.47 -0.54 0.00 0.00 174.62 176.54 2wb1 n ASP 413 N -1.41 2.02 0.00 3.99 10.43 -1.26 -2.70 116.55 127.63 2wb1 n ASP 413 Ca -0.02 0.78 0.00 0.00 2.57 0.00 0.00 54.79 58.12 2wb1 n ASP 413 Cb 0.59 -1.14 0.00 0.00 1.84 0.00 0.00 41.12 42.41 2wb1 n ASP 413 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2wb1 n GLY 414 N 5.56 1.48 3.76 0.44 0.00 0.80 -4.95 105.19 112.29 2wb1 n GLY 414 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 2wb1 n GLY 414 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 415 N -1.76 5.76 -0.16 1.61 1.01 -1.10 -4.38 116.67 117.65 2wb1 s ASP 415 Ca 0.00 2.67 -0.24 0.00 0.71 0.00 0.00 52.55 55.69 2wb1 s ASP 415 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 2wb1 s ASP 415 CO 0.00 -1.23 0.76 -0.69 0.21 0.00 0.00 175.17 174.22 2wb1 s VAL 416 N -1.33 4.94 -0.01 -1.27 1.01 -1.26 -2.01 120.40 120.47 2wb1 s VAL 416 Ca 0.65 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 64.11 2wb1 s VAL 416 Cb -0.38 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2wb1 s VAL 416 CO 0.47 0.08 0.04 -0.69 0.00 0.00 0.00 175.10 175.00 2wb1 s VAL 417 N 1.88 0.01 -0.14 2.92 1.01 -1.12 -4.61 120.40 120.35 2wb1 s VAL 417 Ca 0.36 -0.06 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 2wb1 s VAL 417 Cb -0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 2wb1 s VAL 417 CO 0.13 -0.04 0.82 -0.76 0.00 0.00 0.00 175.10 175.25 2wb1 s LEU 418 N -0.09 4.22 -0.07 3.92 1.02 -0.86 -0.39 118.68 126.44 2wb1 s LEU 418 Ca -0.01 1.22 0.02 0.00 0.02 0.00 0.00 54.13 55.38 2wb1 s LEU 418 Cb -0.01 -3.24 -0.03 0.00 0.02 0.00 0.00 46.19 42.94 2wb1 s LEU 418 CO 0.00 -0.34 -0.13 0.12 0.02 0.00 0.00 176.35 176.03 2wb1 s PHE 419 N 1.81 2.77 -0.21 0.29 5.36 -0.69 -1.17 117.98 126.13 2wb1 s PHE 419 Ca 0.39 -0.19 -0.06 0.00 -0.96 0.00 0.00 56.93 56.12 2wb1 s PHE 419 Cb -0.17 -1.68 0.10 0.00 -0.34 0.00 0.00 43.02 40.94 2wb1 s PHE 419 CO 0.15 0.16 0.41 1.21 -1.46 0.00 0.00 175.22 175.69 2wb1 s ASN 420 N -0.59 -0.17 -0.05 6.13 3.04 0.35 -2.18 114.94 121.48 2wb1 s ASN 420 Ca 0.08 0.80 -0.11 0.00 0.04 0.00 0.00 52.86 53.67 2wb1 s ASN 420 Cb -0.11 1.32 -0.05 0.00 -1.54 0.00 0.00 41.25 40.87 2wb1 s ASN 420 CO 0.01 -0.25 0.29 -0.60 -3.04 0.00 0.00 177.10 173.51 2wb1 s ARG 421 N 2.61 3.70 -0.04 0.43 3.52 -1.23 0.01 118.95 127.94 2wb1 s ARG 421 Ca 0.03 0.16 0.06 0.00 -0.13 0.00 0.00 55.73 55.85 2wb1 s ARG 421 Cb -0.13 -3.20 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 2wb1 s ARG 421 CO -0.14 0.72 -0.23 1.14 -0.81 0.00 0.00 175.30 175.99 2wb1 s GLN 422 N -1.11 2.36 0.40 5.12 -2.07 -1.26 -4.13 119.66 118.97 2wb1 s GLN 422 Ca 0.20 -0.86 -0.25 0.00 -1.82 0.00 0.00 55.36 52.63 2wb1 s GLN 422 Cb -0.15 -2.17 -0.08 0.00 -1.09 0.00 0.00 33.01 29.52 2wb1 s GLN 422 CO 0.10 0.51 1.18 -2.14 -1.32 0.00 0.00 175.29 173.62 2wb1 s PRO 423 N -0.48 4.06 -1.10 9.60 0.02 -1.26 -5.06 135.00 140.78 2wb1 s PRO 423 Ca 0.06 1.86 -0.03 0.00 0.02 0.00 0.00 61.00 62.91 2wb1 s PRO 423 Cb -0.11 -2.69 0.28 0.00 0.02 0.00 0.00 34.50 32.00 2wb1 s PRO 423 CO 0.01 -0.32 1.89 0.43 -0.33 0.00 0.00 177.00 178.68 2wb1 n SER 424 N 0.09 7.29 0.05 2.53 7.64 -1.26 -4.84 113.62 125.12 2wb1 n SER 424 Ca 0.04 -3.53 -0.13 0.00 1.01 0.00 0.00 58.87 56.26 2wb1 n SER 424 Cb 0.46 -1.23 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 2wb1 n SER 424 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wb1 h LEU 425 N 4.76 -0.09-10.26 -3.43 4.07 -1.95 -3.44 115.31 104.97 2wb1 h LEU 425 Ca 0.52 -0.22 -0.48 0.00 0.08 0.00 0.00 57.88 57.78 2wb1 h LEU 425 Cb 0.37 0.02 0.02 0.00 1.08 0.00 0.00 40.66 42.15 2wb1 h LEU 425 CO 1.27 0.18 -0.11 -2.28 -1.08 0.00 0.00 178.44 176.42 2wb1 s HIS 426 N -5.17 3.50 0.27 1.13 2.46 -1.26 -5.01 115.29 111.21 2wb1 s HIS 426 Ca -0.15 0.46 0.05 0.00 0.47 0.00 0.00 55.06 55.89 2wb1 s HIS 426 Cb 0.04 -2.03 0.39 0.00 -0.13 0.00 0.00 32.58 30.84 2wb1 s HIS 426 CO 0.65 -0.02 1.66 0.07 -2.47 0.00 0.00 174.74 174.63 2wb1 h ARG 427 N 0.59 0.30 0.00 2.88 0.11 -1.96 -2.93 114.38 113.36 2wb1 h ARG 427 Ca -0.49 -0.15 -0.00 0.00 0.10 0.00 0.00 59.98 59.44 2wb1 h ARG 427 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 2wb1 h ARG 427 CO 0.61 0.68 -0.00 0.82 0.10 0.00 0.00 179.97 182.18 2wb1 h ILE 428 N 0.24 0.79 0.00 0.08 1.08 -1.95 -2.57 117.51 115.19 2wb1 h ILE 428 Ca 0.02 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 2wb1 h ILE 428 Cb 0.87 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 2wb1 h ILE 428 CO 0.07 0.00 0.00 -1.20 -0.69 0.00 0.00 178.15 176.33 2wb1 n SER 429 N -4.23 0.00 -3.67 1.72 7.64 -1.11 -4.00 113.62 109.97 2wb1 n SER 429 Ca -0.03 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.61 2wb1 n SER 429 Cb 0.09 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.12 2wb1 n SER 429 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2wb1 s MET 430 N -1.83 0.21 0.02 1.43 -2.45 -0.97 -3.56 119.30 112.15 2wb1 s MET 430 Ca 0.00 -0.01 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 2wb1 s MET 430 Cb 0.00 -1.45 -0.02 0.00 1.25 0.00 0.00 34.83 34.61 2wb1 s MET 430 CO 0.00 -0.53 -0.05 -1.64 1.05 0.00 0.00 175.02 173.85 2wb1 s MET 431 N 2.07 0.37 -0.01 4.11 1.00 -0.92 -4.96 119.30 120.96 2wb1 s MET 431 Ca 0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 55.69 54.87 2wb1 s MET 431 Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 34.83 34.53 2wb1 s MET 431 CO -0.07 0.01 1.05 0.00 0.00 0.00 0.00 175.02 176.01 2wb1 s ALA 432 N -1.10 3.28 0.56 3.03 0.00 0.21 -1.70 121.76 126.04 2wb1 s ALA 432 Ca -0.10 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.48 2wb1 s ALA 432 Cb -0.08 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.69 2wb1 s ALA 432 CO -0.00 -0.39 0.36 -1.01 0.00 0.00 0.00 175.76 174.71 2wb1 s HIS 433 N 1.32 1.51 -0.19 0.00 3.76 0.48 -3.20 115.29 118.96 2wb1 s HIS 433 Ca 0.53 -0.91 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 2wb1 s HIS 433 Cb -0.22 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.63 2wb1 s HIS 433 CO 0.26 -0.44 -0.12 1.03 -0.85 0.00 0.00 174.74 174.62 2wb1 s ARG 434 N -4.25 3.21 -0.07 1.40 1.81 0.31 -2.77 118.95 118.58 2wb1 s ARG 434 Ca 0.27 -0.72 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 2wb1 s ARG 434 Cb -0.02 -2.78 -0.04 0.00 -0.45 0.00 0.00 34.95 31.66 2wb1 s ARG 434 CO 0.17 -0.16 1.39 0.08 -0.68 0.00 0.00 175.30 176.11 2wb1 s VAL 435 N 1.28 3.93 -0.47 3.52 1.01 -0.85 -0.72 120.40 128.09 2wb1 s VAL 435 Ca 0.03 1.20 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2wb1 s VAL 435 Cb -0.14 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.59 2wb1 s VAL 435 CO -0.06 -0.06 0.21 -0.60 0.00 0.00 0.00 175.10 174.58 2wb1 s ARG 436 N 3.13 1.75 -0.19 2.72 6.06 -0.50 -0.14 118.95 131.79 2wb1 s ARG 436 Ca 0.62 -2.35 -0.29 0.00 -2.50 0.00 0.00 55.73 51.21 2wb1 s ARG 436 Cb -0.28 -3.14 -0.03 0.00 0.06 0.00 0.00 34.95 31.56 2wb1 s ARG 436 CO 0.23 -1.08 1.61 0.08 -2.50 0.00 0.00 175.30 173.64 2wb1 s VAL 437 N 0.09 3.70 0.13 7.11 1.01 -1.26 -1.86 120.40 129.32 2wb1 s VAL 437 Ca 0.16 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 2wb1 s VAL 437 Cb -0.24 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2wb1 s VAL 437 CO -0.02 -0.24 0.12 -1.48 0.00 0.00 0.00 175.10 173.48 2wb1 s LEU 438 N 4.92 1.60 0.86 3.92 2.34 -0.21 -4.92 118.68 127.18 2wb1 s LEU 438 Ca 0.71 -1.03 -0.11 0.00 0.06 0.00 0.00 54.13 53.76 2wb1 s LEU 438 Cb -0.26 0.62 0.11 0.00 -0.56 0.00 0.00 46.19 46.10 2wb1 s LEU 438 CO 0.28 -0.76 1.16 -0.75 -1.06 0.00 0.00 176.35 175.22 2wb1 s LYS 439 N -3.99 1.40 0.00 1.48 2.20 -1.26 -3.84 119.74 115.73 2wb1 s LYS 439 Ca 0.18 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 2wb1 s LYS 439 Cb 0.06 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 2wb1 s LYS 439 CO -0.02 -2.35 0.00 0.41 -0.36 0.00 0.00 175.35 173.03 2wb1 n GLY 440 N 0.11 -0.83 1.59 5.54 0.00 -1.26 -4.82 105.19 105.51 2wb1 n GLY 440 Ca 0.12 -1.56 0.06 0.00 0.00 0.00 0.00 46.02 44.64 2wb1 n GLY 440 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wb1 n LEU 441 N -1.11 4.70 -4.48 0.99 4.77 -1.26 -4.34 117.00 116.27 2wb1 n LEU 441 Ca 0.00 -2.38 -0.27 0.00 -0.03 0.00 0.00 56.01 53.33 2wb1 n LEU 441 Cb 0.00 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.35 2wb1 n LEU 441 CO 0.00 0.58 -0.48 0.42 -1.33 0.00 0.00 177.39 176.58 2wb1 s THR 442 N -2.32 2.67 0.21 -5.08 -4.23 -1.26 -4.66 115.64 100.96 2wb1 s THR 442 Ca 0.44 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.71 2wb1 s THR 442 Cb 0.33 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.78 2wb1 s THR 442 CO 0.14 -0.14 1.05 -0.36 -0.54 0.00 0.00 174.62 174.77 2wb1 s PHE 443 N -1.77 3.70 -0.21 3.99 2.99 -0.82 -4.18 117.98 121.69 2wb1 s PHE 443 Ca 0.23 1.71 -0.06 0.00 0.00 0.00 0.00 56.93 58.81 2wb1 s PHE 443 Cb -0.08 -3.19 -0.03 0.00 0.00 0.00 0.00 43.02 39.72 2wb1 s PHE 443 CO 0.12 -0.28 0.04 1.03 -0.00 0.00 0.00 175.22 176.13 2wb1 s ARG 444 N -0.74 3.76 0.07 0.44 1.81 -0.38 -0.91 118.95 122.99 2wb1 s ARG 444 Ca 0.46 -0.45 0.05 0.00 -1.72 0.00 0.00 55.73 54.07 2wb1 s ARG 444 Cb -0.29 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 30.98 2wb1 s ARG 444 CO 0.35 0.05 -0.05 -1.17 -0.68 0.00 0.00 175.30 173.81 2wb1 s LEU 445 N 0.94 3.26 0.00 2.53 2.96 -1.11 -0.89 118.68 126.37 2wb1 s LEU 445 Ca 0.03 -0.22 -0.27 0.00 -0.22 0.00 0.00 54.13 53.45 2wb1 s LEU 445 Cb -0.14 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2wb1 s LEU 445 CO 0.02 0.21 0.86 0.21 -1.32 0.00 0.00 176.35 176.33 2wb1 s ASN 446 N -1.99 7.25 0.61 3.68 3.84 -1.26 -2.00 114.94 125.07 2wb1 s ASN 446 Ca 0.22 1.50 0.29 0.00 0.21 0.00 0.00 52.86 55.08 2wb1 s ASN 446 Cb -0.11 -2.51 1.57 0.00 -0.55 0.00 0.00 41.25 39.65 2wb1 s ASN 446 CO 0.13 -0.14 1.95 -0.07 -2.79 0.00 0.00 177.10 176.19 2wb1 h LEU 447 N 6.41 0.00 -0.44 3.21 3.38 -1.93 0.22 115.31 126.17 2wb1 h LEU 447 Ca -0.42 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2wb1 h LEU 447 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2wb1 h LEU 447 CO 0.74 0.00 -0.29 -0.07 0.09 0.00 0.00 178.44 178.91 2wb1 h LEU 448 N 0.00 0.00 -3.67 1.67 3.38 -1.92 -3.19 115.31 111.58 2wb1 h LEU 448 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2wb1 h LEU 448 Cb 0.86 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 2wb1 h LEU 448 CO -0.00 0.29 0.18 0.52 0.09 0.00 0.00 178.44 179.51 2wb1 n VAL 449 N -3.25 2.87 -0.03 1.22 0.31 0.79 -1.23 118.33 119.00 2wb1 n VAL 449 Ca 0.02 -1.62 -0.15 0.00 -0.01 0.00 0.00 64.34 62.58 2wb1 n VAL 449 Cb 0.57 -0.33 -0.10 0.00 -0.91 0.00 0.00 33.84 33.07 2wb1 n VAL 449 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wb1 h PRO 451 N -0.28 0.64 -0.08 0.00 0.11 -1.79 0.23 132.00 130.83 2wb1 h PRO 451 Ca -0.02 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.07 2wb1 h PRO 451 Cb 0.94 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 2wb1 h PRO 451 CO 0.06 0.42 -0.25 -1.35 -0.21 0.00 0.00 178.00 176.67 2wb1 h PRO 452 N 0.66 -0.25 0.00 1.05 0.11 -1.74 -2.49 132.00 129.34 2wb1 h PRO 452 Ca 0.55 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.68 2wb1 h PRO 452 Cb 0.90 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2wb1 h PRO 452 CO -0.41 -0.16 0.00 0.66 -0.21 0.00 0.00 178.00 177.88 2wb1 n TYR 453 N -3.88 0.29 -3.53 0.65 4.02 -0.98 -4.43 117.16 109.31 2wb1 n TYR 453 Ca -0.03 0.11 -0.23 0.00 -0.01 0.00 0.00 57.90 57.75 2wb1 n TYR 453 Cb 0.17 -0.68 0.05 0.00 -0.02 0.00 0.00 39.34 38.86 2wb1 n TYR 453 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wb1 n ASN 454 N -1.76 -4.52 -4.64 7.72 5.15 0.02 -4.84 115.26 112.39 2wb1 n ASN 454 Ca 0.03 -0.84 -0.35 0.00 -0.60 0.00 0.00 54.58 52.82 2wb1 n ASN 454 Cb 0.19 -4.27 -0.10 0.00 -0.53 0.00 0.00 39.78 35.07 2wb1 n ASN 454 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wb1 s ALA 455 N -3.49 3.19 0.41 5.20 0.00 -0.90 -5.02 121.76 121.16 2wb1 s ALA 455 Ca 0.32 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2wb1 s ALA 455 Cb -0.08 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 2wb1 s ALA 455 CO 0.80 0.53 0.03 0.16 0.00 0.00 0.00 175.76 177.28 2wb1 s ASP 456 N -0.69 3.45 -0.50 0.00 1.47 -1.26 -4.75 116.67 114.39 2wb1 s ASP 456 Ca 0.11 -1.46 0.04 0.00 1.18 0.00 0.00 52.55 52.41 2wb1 s ASP 456 Cb -0.12 -0.03 0.42 0.00 -0.34 0.00 0.00 42.92 42.85 2wb1 s ASP 456 CO 0.02 -0.62 1.34 0.49 0.68 0.00 0.00 175.17 177.08 2wb1 n PHE 457 N -0.96 3.20 -1.01 2.11 3.01 -1.26 -4.18 117.46 118.38 2wb1 n PHE 457 Ca -0.07 -2.80 0.01 0.00 1.01 0.00 0.00 57.45 55.60 2wb1 n PHE 457 Cb 0.67 -0.41 0.33 0.00 -0.01 0.00 0.00 39.48 40.06 2wb1 n PHE 457 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2wb1 n ASP 458 N -0.56 4.86 0.00 4.37 5.75 -1.26 -4.85 116.55 124.85 2wb1 n ASP 458 Ca 0.44 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 2wb1 n ASP 458 Cb 0.64 -0.68 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 2wb1 n ASP 458 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wb1 n GLY 459 N -0.01 0.73 3.58 6.12 0.00 -1.26 -5.14 105.19 109.20 2wb1 n GLY 459 Ca 0.32 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 2wb1 n GLY 459 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 460 N -1.28 4.56 0.07 1.61 1.11 -1.26 -5.02 116.67 116.46 2wb1 s ASP 460 Ca 0.00 -0.11 0.06 0.00 0.18 0.00 0.00 52.55 52.68 2wb1 s ASP 460 Cb 0.00 -1.08 -0.04 0.00 1.07 0.00 0.00 42.92 42.88 2wb1 s ASP 460 CO 0.00 0.31 -0.12 -1.61 1.18 0.00 0.00 175.17 174.94 2wb1 s GLU 461 N -1.16 2.18 0.04 8.23 2.02 -1.26 0.13 118.70 128.87 2wb1 s GLU 461 Ca 0.15 -0.96 0.02 0.00 0.02 0.00 0.00 54.97 54.20 2wb1 s GLU 461 Cb -0.11 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 2wb1 s GLU 461 CO 0.05 0.53 -0.08 -1.64 0.02 0.00 0.00 175.26 174.14 2wb1 s MET 462 N -1.85 0.55 0.07 1.61 -1.94 -0.75 -4.66 119.30 112.33 2wb1 s MET 462 Ca 0.19 -0.72 -0.20 0.00 -1.71 0.00 0.00 55.69 53.25 2wb1 s MET 462 Cb -0.11 -0.37 -0.07 0.00 2.01 0.00 0.00 34.83 36.30 2wb1 s MET 462 CO 0.10 0.07 0.60 -0.80 -0.01 0.00 0.00 175.02 174.99 2wb1 s ASN 463 N -1.43 7.09 -0.23 3.03 -0.87 0.10 -3.34 114.94 119.29 2wb1 s ASN 463 Ca -0.08 1.30 -0.01 0.00 -1.57 0.00 0.00 52.86 52.50 2wb1 s ASN 463 Cb -0.09 -2.38 0.07 0.00 -0.02 0.00 0.00 41.25 38.83 2wb1 s ASN 463 CO 0.01 0.24 0.02 -0.22 -2.57 0.00 0.00 177.10 174.57 2wb1 s LEU 464 N -0.95 1.86 0.02 0.60 1.98 0.62 -0.50 118.68 122.32 2wb1 s LEU 464 Ca 0.30 -1.09 -0.00 0.00 -2.89 0.00 0.00 54.13 50.44 2wb1 s LEU 464 Cb -0.20 -0.84 -0.04 0.00 0.66 0.00 0.00 46.19 45.77 2wb1 s LEU 464 CO 0.20 -0.30 0.14 -1.00 -1.89 0.00 0.00 176.35 173.50 2wb1 s HIS 465 N 1.65 3.41 -0.40 5.38 3.76 -0.32 -0.59 115.29 128.19 2wb1 s HIS 465 Ca -0.01 0.24 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 2wb1 s HIS 465 Cb -0.18 -1.75 0.11 0.00 1.11 0.00 0.00 32.58 31.87 2wb1 s HIS 465 CO -0.10 0.59 0.13 0.08 -0.85 0.00 0.00 174.74 174.59 2wb1 s VAL 466 N -1.35 2.50 0.54 -0.90 1.01 -0.60 -2.02 120.40 119.58 2wb1 s VAL 466 Ca 0.28 -2.60 -0.20 0.00 0.00 0.00 0.00 61.98 59.46 2wb1 s VAL 466 Cb -0.12 -2.79 -0.07 0.00 0.00 0.00 0.00 36.38 33.39 2wb1 s VAL 466 CO 0.20 -0.67 0.91 -0.81 0.00 0.00 0.00 175.10 174.73 2wb1 n PRO 467 N 3.95 1.00 -0.03 2.72 -0.04 -1.26 -4.86 135.00 136.47 2wb1 n PRO 467 Ca 0.04 0.37 -0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2wb1 n PRO 467 Cb 0.39 -2.06 -0.02 0.00 -0.04 0.00 0.00 33.50 31.77 2wb1 n PRO 467 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wb1 n GLN 468 N -0.48 0.26 -1.55 0.54 1.13 -1.26 -4.81 117.38 111.22 2wb1 n GLN 468 Ca 0.12 0.11 -0.38 0.00 -1.94 0.00 0.00 57.00 54.90 2wb1 n GLN 468 Cb 0.45 -0.95 0.04 0.00 0.11 0.00 0.00 30.24 29.88 2wb1 n GLN 468 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2wb1 n SER 469 N -3.87 0.02 -0.11 1.08 3.41 -1.26 -4.57 113.62 108.32 2wb1 n SER 469 Ca -0.12 0.81 -0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2wb1 n SER 469 Cb 0.36 -1.29 0.26 0.00 -0.26 0.00 0.00 64.21 63.29 2wb1 n SER 469 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wb1 h GLU 470 N 0.52 0.78 0.00 4.33 4.39 -1.96 -2.49 114.58 120.15 2wb1 h GLU 470 Ca -0.46 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.13 2wb1 h GLU 470 Cb 1.38 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2wb1 h GLU 470 CO 0.50 0.62 -0.00 0.93 -1.16 0.00 0.00 179.01 179.90 2wb1 h GLU 471 N 0.77 -0.00 -0.78 2.33 5.08 -2.00 -3.11 114.58 116.87 2wb1 h GLU 471 Ca 0.19 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 2wb1 h GLU 471 Cb 0.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 2wb1 h GLU 471 CO -0.02 0.58 0.47 0.00 -1.00 0.00 0.00 179.01 179.04 2wb1 h ALA 472 N 0.41 1.07 -0.34 3.43 0.00 -1.89 0.27 119.26 122.21 2wb1 h ALA 472 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wb1 h ALA 472 Cb 0.58 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2wb1 h ALA 472 CO 0.00 0.19 -0.22 0.82 0.00 0.00 0.00 179.25 180.04 2wb1 h ILE 473 N 0.86 0.40 -0.27 0.00 2.04 -1.52 -2.18 117.51 116.84 2wb1 h ILE 473 Ca 0.34 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.05 2wb1 h ILE 473 Cb 0.18 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2wb1 h ILE 473 CO -0.17 0.00 -0.45 0.00 0.00 0.00 0.00 178.15 177.52 2wb1 h ALA 474 N 1.00 0.42 -0.52 1.87 0.00 -0.94 -3.07 119.26 118.01 2wb1 h ALA 474 Ca 0.17 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.64 2wb1 h ALA 474 Cb 0.44 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2wb1 h ALA 474 CO -0.45 0.57 0.30 1.49 0.00 0.00 0.00 179.25 181.15 2wb1 h GLU 475 N 0.54 0.57 0.00 0.00 4.81 -0.48 0.34 114.58 120.35 2wb1 h GLU 475 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wb1 h GLU 475 Cb 1.05 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2wb1 h GLU 475 CO 0.10 0.37 0.00 0.00 -0.73 0.00 0.00 179.01 178.76 2wb1 n ALA 476 N -2.29 1.31 -0.05 2.92 0.00 -0.83 -2.11 120.51 119.45 2wb1 n ALA 476 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2wb1 n ALA 476 Cb 0.10 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.25 2wb1 n ALA 476 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wb1 n LYS 477 N -1.59 0.67 0.06 0.00 4.81 0.04 -3.45 118.16 118.71 2wb1 n LYS 477 Ca 0.01 -0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.34 2wb1 n LYS 477 Cb 0.08 -1.54 -0.09 0.00 0.02 0.00 0.00 35.03 33.51 2wb1 n LYS 477 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2wb1 h GLU 478 N 0.00 0.00 0.00 1.64 3.07 -0.84 -3.39 114.58 115.06 2wb1 h GLU 478 Ca -0.30 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.39 2wb1 h GLU 478 Cb 1.70 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.58 2wb1 h GLU 478 CO 0.02 0.70 -1.59 -0.89 -1.40 0.00 0.00 179.01 175.85 2wb1 n ILE 479 N -3.20 0.58 0.42 3.13 5.41 -1.16 -4.82 119.36 119.72 2wb1 n ILE 479 Ca -0.04 -0.19 0.08 0.00 1.00 0.00 0.00 62.75 63.60 2wb1 n ILE 479 Cb 0.91 -1.24 0.22 0.00 -0.71 0.00 0.00 39.64 38.82 2wb1 n ILE 479 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2wb1 n MET 480 N -3.13 2.15 -2.27 0.38 2.81 -1.22 -4.74 117.12 111.09 2wb1 n MET 480 Ca -0.19 -1.79 -0.42 0.00 -1.81 0.00 0.00 57.70 53.49 2wb1 n MET 480 Cb 0.67 -1.39 -0.03 0.00 -0.71 0.00 0.00 33.22 31.76 2wb1 n MET 480 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wb1 s LEU 481 N -1.01 4.35 0.20 4.03 1.43 -1.25 0.67 118.68 127.11 2wb1 s LEU 481 Ca 0.33 2.17 -0.17 0.00 -1.03 0.00 0.00 54.13 55.43 2wb1 s LEU 481 Cb 0.17 -3.58 0.19 0.00 0.03 0.00 0.00 46.19 43.01 2wb1 s LEU 481 CO 0.23 -0.61 1.60 0.58 0.23 0.00 0.00 176.35 178.38 2wb1 h VAL 482 N 4.51 0.24 0.00 -1.59 2.07 -1.86 0.32 116.25 119.94 2wb1 h VAL 482 Ca -0.41 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2wb1 h VAL 482 Cb 1.20 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2wb1 h VAL 482 CO 0.86 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.45 2wb1 n HIS 483 N -5.45 0.00 0.03 1.57 1.44 -1.26 -0.41 115.22 111.14 2wb1 n HIS 483 Ca 0.06 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.79 2wb1 n HIS 483 Cb 0.35 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.44 2wb1 n HIS 483 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2wb1 n LYS 484 N -0.76 1.19 -0.65 -1.40 4.81 0.10 -4.66 118.16 116.78 2wb1 n LYS 484 Ca 0.02 -0.02 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 2wb1 n LYS 484 Cb 0.01 -1.00 0.29 0.00 0.02 0.00 0.00 35.03 34.36 2wb1 n LYS 484 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2wb1 n ASN 485 N -1.51 4.28 -0.07 3.14 3.02 0.46 -4.70 115.26 119.88 2wb1 n ASN 485 Ca -0.00 -3.10 0.25 0.00 -0.03 0.00 0.00 54.58 51.70 2wb1 n ASN 485 Cb 0.08 -0.61 0.72 0.00 -0.61 0.00 0.00 39.78 39.35 2wb1 n ASN 485 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2wb1 h ILE 486 N 2.30 0.46 -3.16 2.41 2.04 -1.82 -3.40 117.51 116.35 2wb1 h ILE 486 Ca 0.06 0.00 -0.63 0.00 1.00 0.00 0.00 64.86 65.29 2wb1 h ILE 486 Cb 1.70 0.57 -0.13 0.00 -0.74 0.00 0.00 36.82 38.22 2wb1 h ILE 486 CO 0.37 0.00 -0.53 0.27 0.00 0.00 0.00 178.15 178.26 2wb1 s ILE 487 N -4.81 5.07 0.19 -0.67 -4.36 -1.26 -0.88 121.20 114.48 2wb1 s ILE 487 Ca -0.05 0.06 -0.30 0.00 -0.26 0.00 0.00 60.65 60.11 2wb1 s ILE 487 Cb 0.19 -3.27 -0.08 0.00 1.25 0.00 0.00 42.46 40.55 2wb1 s ILE 487 CO 0.67 0.50 1.03 -0.89 0.24 0.00 0.00 174.94 176.48 2wb1 s THR 488 N -0.01 4.01 0.34 8.37 2.01 -0.01 -4.89 115.64 125.46 2wb1 s THR 488 Ca 0.08 1.82 0.38 0.00 0.31 0.00 0.00 61.69 64.28 2wb1 s THR 488 Cb -0.12 -4.16 0.40 0.00 0.01 0.00 0.00 72.50 68.63 2wb1 s THR 488 CO 0.00 0.35 2.15 -0.65 -0.69 0.00 0.00 174.62 175.79 2wb1 h PRO 489 N 4.79 0.00 -0.52 4.92 0.11 -1.93 -3.20 132.00 136.17 2wb1 h PRO 489 Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2wb1 h PRO 489 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2wb1 h PRO 489 CO 0.70 0.00 0.10 -0.09 -0.21 0.00 0.00 178.00 178.50 2wb1 h ARG 490 N 0.00 0.82 -1.13 1.05 2.43 -1.95 -3.37 114.38 112.22 2wb1 h ARG 490 Ca 0.00 -0.18 0.15 0.00 -0.81 0.00 0.00 59.98 59.14 2wb1 h ARG 490 Cb 0.19 -0.12 -0.22 0.00 -0.42 0.00 0.00 29.97 29.40 2wb1 h ARG 490 CO 0.00 0.76 0.07 1.52 -1.51 0.00 0.00 179.97 180.81 2wb1 s TYR 491 N -5.15 -0.92 -0.97 2.20 1.13 -1.21 -5.02 117.35 107.41 2wb1 s TYR 491 Ca -0.10 1.41 -0.21 0.00 -1.41 0.00 0.00 57.07 56.77 2wb1 s TYR 491 Cb 0.15 0.49 -0.26 0.00 -1.10 0.00 0.00 41.96 41.24 2wb1 s TYR 491 CO 0.80 -0.47 2.44 0.41 -2.51 0.00 0.00 175.55 176.23 2wb1 n GLY 492 N 5.20 -0.45 3.57 5.49 0.00 -1.20 -4.44 105.19 113.36 2wb1 n GLY 492 Ca -0.08 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 2wb1 n GLY 492 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wb1 s GLY 493 N 5.38 -0.27 -0.11 -0.02 0.00 -1.26 -4.49 107.32 106.55 2wb1 s GLY 493 Ca 1.31 1.92 -0.30 0.00 0.00 0.00 0.00 44.72 47.66 2wb1 s GLY 493 CO 0.50 0.92 1.31 2.56 0.00 0.00 0.00 173.10 178.39 2wb1 s PRO 494 N -1.42 4.26 -0.18 2.90 0.04 -1.26 -0.83 135.00 138.50 2wb1 s PRO 494 Ca 0.00 1.75 0.15 0.00 0.04 0.00 0.00 61.00 62.95 2wb1 s PRO 494 Cb -0.01 -3.72 -0.24 0.00 0.04 0.00 0.00 34.50 30.57 2wb1 s PRO 494 CO -0.01 -0.65 0.15 1.51 0.04 0.00 0.00 177.00 178.04 2wb1 n ILE 495 N 5.15 1.45 -2.75 0.56 3.06 -0.06 -1.41 119.36 125.36 2wb1 n ILE 495 Ca 0.14 -0.82 -0.43 0.00 -2.50 0.00 0.00 62.75 59.14 2wb1 n ILE 495 Cb 0.45 -0.68 -0.04 0.00 0.54 0.00 0.00 39.64 39.91 2wb1 n ILE 495 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2wb1 s ILE 496 N -2.51 4.26 0.22 9.51 1.01 -1.19 -4.26 121.20 128.25 2wb1 s ILE 496 Ca -0.12 0.53 -0.22 0.00 0.00 0.00 0.00 60.65 60.84 2wb1 s ILE 496 Cb 0.07 -4.60 0.04 0.00 0.01 0.00 0.00 42.46 37.98 2wb1 s ILE 496 CO 0.81 -1.17 0.68 -0.83 0.00 0.00 0.00 174.94 174.42 2wb1 s GLY 497 N 2.84 -0.33 0.67 6.18 0.00 -0.37 -4.80 107.32 111.53 2wb1 s GLY 497 Ca 0.35 0.07 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 2wb1 s GLY 497 CO 0.22 0.03 1.20 0.00 0.00 0.00 0.00 173.10 174.55 2wb1 n ALA 498 N -0.42 0.72 -2.00 3.20 0.00 -1.26 -4.08 120.51 116.66 2wb1 n ALA 498 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wb1 n ALA 498 Cb 0.62 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2wb1 n ALA 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 n ALA 499 N -2.15 0.56 0.00 0.00 0.00 -1.26 -3.35 120.51 114.30 2wb1 n ALA 499 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2wb1 n ALA 499 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2wb1 n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 n GLN 500 N 0.00 0.00 0.09 0.00 10.64 -1.26 -4.02 117.38 122.83 2wb1 n GLN 500 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 2wb1 n GLN 500 Cb 0.00 -0.24 0.14 0.00 -0.86 0.00 0.00 30.24 29.28 2wb1 n GLN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2wb1 h ASP 501 N 0.00 0.25 0.17 2.61 3.45 -1.99 -2.87 116.42 118.04 2wb1 h ASP 501 Ca 0.00 -0.14 -0.01 0.00 0.43 0.00 0.00 57.03 57.31 2wb1 h ASP 501 Cb 0.11 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 2wb1 h ASP 501 CO 0.00 0.77 -0.08 1.88 -1.57 0.00 0.00 179.24 180.24 2wb1 h TYR 502 N 0.17 -0.21 -0.66 4.55 0.05 -1.91 -1.43 116.97 117.53 2wb1 h TYR 502 Ca -0.00 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2wb1 h TYR 502 Cb 1.06 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.84 2wb1 h TYR 502 CO 0.02 0.17 0.25 0.82 -1.05 0.00 0.00 178.16 178.37 2wb1 h ILE 503 N -0.65 1.23 -0.18 -2.88 1.08 -1.79 -1.49 117.51 112.83 2wb1 h ILE 503 Ca -0.02 -0.75 -0.13 0.00 -0.39 0.00 0.00 64.86 63.56 2wb1 h ILE 503 Cb 0.48 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 2wb1 h ILE 503 CO 0.04 0.30 -0.42 -1.28 -0.69 0.00 0.00 178.15 176.10 2wb1 h SER 504 N 0.96 0.67 -0.54 1.72 0.87 -1.53 -2.50 113.55 113.20 2wb1 h SER 504 Ca 0.22 -0.57 -0.04 0.00 -1.23 0.00 0.00 61.79 60.17 2wb1 h SER 504 Cb 0.21 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2wb1 h SER 504 CO -0.02 1.12 0.17 1.23 -0.53 0.00 0.00 176.83 178.80 2wb1 h GLY 505 N 0.26 0.90 2.00 5.77 0.00 -1.19 -1.66 103.07 109.15 2wb1 h GLY 505 Ca -0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 2wb1 h GLY 505 CO 0.09 0.50 -0.00 0.00 0.00 0.00 0.00 176.54 177.12 2wb1 h ALA 506 N 1.04 1.17 0.16 3.60 0.00 -1.27 0.28 119.26 124.24 2wb1 h ALA 506 Ca 0.18 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.75 2wb1 h ALA 506 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wb1 h ALA 506 CO -0.01 0.00 -1.67 -0.92 0.00 0.00 0.00 179.25 176.66 2wb1 h TYR 507 N 0.00 0.60 0.00 0.00 3.20 -0.91 -2.73 116.97 117.13 2wb1 h TYR 507 Ca -0.00 -0.44 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 2wb1 h TYR 507 Cb 0.02 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2wb1 h TYR 507 CO 0.00 1.55 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.94 2wb1 h LEU 508 N 0.09 0.00 0.00 2.82 3.38 -0.43 -3.27 115.31 117.90 2wb1 h LEU 508 Ca -0.30 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.44 2wb1 h LEU 508 Cb 2.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 2wb1 h LEU 508 CO 0.17 0.06 -1.27 -0.11 0.09 0.00 0.00 178.44 177.39 2wb1 n LEU 509 N -3.19 1.86 0.00 1.67 7.94 0.00 -4.41 117.00 120.87 2wb1 n LEU 509 Ca 0.00 0.43 0.13 0.00 -1.11 0.00 0.00 56.01 55.47 2wb1 n LEU 509 Cb 0.34 -0.95 0.77 0.00 0.53 0.00 0.00 43.42 44.10 2wb1 n LEU 509 CO 0.29 0.24 0.95 0.35 -1.11 0.00 0.00 177.39 178.11 2wb1 n THR 510 N -4.44 0.00 -1.30 1.96 -2.24 -1.03 -3.73 114.28 103.51 2wb1 n THR 510 Ca -0.31 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 2wb1 n THR 510 Cb 0.66 -0.56 0.13 0.00 -2.10 0.00 0.00 70.33 68.46 2wb1 n THR 510 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2wb1 s VAL 511 N -2.00 2.70 0.19 2.28 -7.23 -1.23 -4.39 120.40 110.71 2wb1 s VAL 511 Ca 0.39 0.23 -0.08 0.00 -1.81 0.00 0.00 61.98 60.70 2wb1 s VAL 511 Cb 0.18 -2.78 0.04 0.00 0.56 0.00 0.00 36.38 34.38 2wb1 s VAL 511 CO 0.30 -0.30 1.62 0.11 -0.31 0.00 0.00 175.10 176.52 2wb1 h LYS 512 N -1.46 0.99 -2.52 4.82 1.57 -1.89 -3.29 116.57 114.79 2wb1 h LYS 512 Ca -0.49 -0.36 -0.65 0.00 -1.87 0.00 0.00 60.65 57.28 2wb1 h LYS 512 Cb 1.28 -0.07 -0.11 0.00 0.08 0.00 0.00 32.23 33.42 2wb1 h LYS 512 CO 0.56 1.04 2.08 2.41 -0.57 0.00 0.00 179.45 184.97 2wb1 n THR 513 N -4.14 4.61 -3.68 -0.16 -1.04 -1.26 -4.74 114.28 103.87 2wb1 n THR 513 Ca 0.01 -3.64 -0.26 0.00 -2.04 0.00 0.00 64.05 58.13 2wb1 n THR 513 Cb 0.40 -2.06 -0.17 0.00 -1.82 0.00 0.00 70.33 66.68 2wb1 n THR 513 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2wb1 s THR 514 N -0.74 0.19 -0.10 12.58 2.01 -1.24 -5.06 115.64 123.28 2wb1 s THR 514 Ca 0.58 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.34 2wb1 s THR 514 Cb 0.23 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 72.02 2wb1 s THR 514 CO -0.11 -0.19 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.69 2wb1 s LEU 515 N 2.02 1.89 -0.03 4.42 1.02 -1.26 -3.01 118.68 123.73 2wb1 s LEU 515 Ca 0.01 -0.48 0.05 0.00 0.02 0.00 0.00 54.13 53.74 2wb1 s LEU 515 Cb -0.16 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.82 2wb1 s LEU 515 CO -0.08 0.08 -0.18 -0.76 0.02 0.00 0.00 176.35 175.43 2wb1 s LEU 516 N 0.69 2.53 0.54 1.79 1.02 0.11 -4.95 118.68 120.40 2wb1 s LEU 516 Ca -0.12 -0.29 -0.20 0.00 0.02 0.00 0.00 54.13 53.54 2wb1 s LEU 516 Cb -0.16 -1.49 -0.06 0.00 0.02 0.00 0.00 46.19 44.50 2wb1 s LEU 516 CO 0.03 0.33 1.12 -0.89 0.02 0.00 0.00 176.35 176.96 2wb1 s THR 517 N -0.71 3.23 0.61 5.49 2.01 -1.26 -1.93 115.64 123.08 2wb1 s THR 517 Ca 0.11 0.77 0.24 0.00 0.31 0.00 0.00 61.69 63.12 2wb1 s THR 517 Cb -0.10 -3.31 0.34 0.00 0.01 0.00 0.00 72.50 69.43 2wb1 s THR 517 CO 0.00 -0.16 1.47 0.11 -0.69 0.00 0.00 174.62 175.35 2wb1 h LYS 518 N 1.26 0.00 0.00 4.92 1.57 -1.98 0.45 116.57 122.78 2wb1 h LYS 518 Ca -0.50 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.18 2wb1 h LYS 518 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2wb1 h LYS 518 CO 0.57 0.00 -0.63 0.93 -0.57 0.00 0.00 179.45 179.76 2wb1 h GLU 519 N 0.00 0.00 -0.95 3.15 5.08 -1.97 -3.28 114.58 116.61 2wb1 h GLU 519 Ca 0.33 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.90 2wb1 h GLU 519 Cb 2.20 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.37 2wb1 h GLU 519 CO -0.00 0.74 0.62 0.93 -1.00 0.00 0.00 179.01 180.29 2wb1 h GLU 520 N -1.00 0.48 0.00 2.33 5.08 -0.59 0.13 114.58 121.01 2wb1 h GLU 520 Ca -0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2wb1 h GLU 520 Cb 0.95 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2wb1 h GLU 520 CO -0.09 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2wb1 n ALA 521 N -2.47 -0.47 0.31 3.43 0.00 0.44 -2.85 120.51 118.91 2wb1 n ALA 521 Ca 0.21 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.85 2wb1 n ALA 521 Cb 0.69 0.00 1.06 0.00 0.00 0.00 0.00 19.45 21.20 2wb1 n ALA 521 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wb1 h GLN 522 N 0.00 0.00 0.00 0.00 4.20 -1.48 0.80 115.11 118.64 2wb1 h GLN 522 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2wb1 h GLN 522 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2wb1 h GLN 522 CO 0.00 0.00 -0.50 0.37 -0.67 0.00 0.00 178.83 178.03 2wb1 h GLN 523 N 0.00 0.00 0.03 1.46 4.15 -0.79 -3.04 115.11 116.93 2wb1 h GLN 523 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wb1 h GLN 523 Cb 0.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2wb1 h GLN 523 CO -0.00 0.50 -0.02 0.82 -1.93 0.00 0.00 178.83 178.21 2wb1 h ILE 524 N 0.00 1.18 0.00 2.39 2.04 -0.69 -3.27 117.51 119.15 2wb1 h ILE 524 Ca -0.01 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2wb1 h ILE 524 Cb 1.05 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2wb1 h ILE 524 CO 0.07 0.38 0.00 0.18 0.00 0.00 0.00 178.15 178.77 2wb1 n LEU 525 N -4.73 0.00 0.05 1.44 7.99 -1.01 -2.33 117.00 118.42 2wb1 n LEU 525 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.85 2wb1 n LEU 525 Cb 0.32 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.70 2wb1 n LEU 525 CO 0.25 0.00 0.43 1.23 -1.51 0.00 0.00 177.39 177.79 2wb1 h GLY 526 N 1.24 0.40 1.82 -0.72 0.00 -1.58 -3.17 103.07 101.05 2wb1 h GLY 526 Ca 0.00 -0.52 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 2wb1 h GLY 526 CO 0.00 0.46 -0.64 -2.08 0.00 0.00 0.00 176.54 174.28 2wb1 h VAL 527 N 0.27 1.41 -4.00 4.60 2.07 -1.69 -3.46 116.25 115.45 2wb1 h VAL 527 Ca -0.01 -2.09 -0.46 0.00 0.82 0.00 0.00 66.70 64.96 2wb1 h VAL 527 Cb 1.17 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2wb1 h VAL 527 CO 0.11 0.61 0.28 0.00 0.02 0.00 0.00 177.57 178.59 2wb1 s ALA 528 N -3.66 3.13 -1.07 1.67 0.00 -1.20 -5.00 121.76 115.63 2wb1 s ALA 528 Ca -0.03 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 2wb1 s ALA 528 Cb 0.12 -3.03 0.13 0.00 0.00 0.00 0.00 23.12 20.34 2wb1 s ALA 528 CO 0.79 0.04 1.32 0.34 0.00 0.00 0.00 175.76 178.25 2wb1 s ASP 529 N -2.57 6.79 -0.05 0.00 2.15 -1.26 -4.95 116.67 116.78 2wb1 s ASP 529 Ca 0.59 -2.35 -0.02 0.00 0.43 0.00 0.00 52.55 51.19 2wb1 s ASP 529 Cb -0.10 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 2wb1 s ASP 529 CO 0.21 -1.00 0.09 0.68 -0.17 0.00 0.00 175.17 174.98 2wb1 s VAL 530 N 2.64 -0.15 -1.07 1.11 -7.23 -1.26 -5.04 120.40 109.40 2wb1 s VAL 530 Ca 0.39 0.37 -0.03 0.00 -1.81 0.00 0.00 61.98 60.91 2wb1 s VAL 530 Cb -0.03 -0.19 0.24 0.00 0.56 0.00 0.00 36.38 36.96 2wb1 s VAL 530 CO -0.05 0.16 2.08 0.29 -0.31 0.00 0.00 175.10 177.27 2wb1 n LYS 531 N 5.14 4.75 -4.47 4.82 5.02 -1.26 -4.96 118.16 127.21 2wb1 n LYS 531 Ca -0.07 -4.04 -0.22 0.00 -2.02 0.00 0.00 58.31 51.96 2wb1 n LYS 531 Cb 0.50 -2.48 -0.14 0.00 -0.02 0.00 0.00 35.03 32.89 2wb1 n LYS 531 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wb1 s ILE 532 N -3.27 1.34 0.36 -0.18 -5.25 -1.26 -5.15 121.20 107.79 2wb1 s ILE 532 Ca 0.46 -1.08 0.06 0.00 -0.99 0.00 0.00 60.65 59.10 2wb1 s ILE 532 Cb 0.22 -1.19 0.06 0.00 2.95 0.00 0.00 42.46 44.50 2wb1 s ILE 532 CO -0.15 0.09 0.46 -0.90 -1.79 0.00 0.00 174.94 172.64 2wb1 n ASP 533 N 1.88 1.46 -4.02 4.36 3.85 -1.26 -5.11 116.55 117.71 2wb1 n ASP 533 Ca -0.18 -2.00 -0.31 0.00 -0.71 0.00 0.00 54.79 51.59 2wb1 n ASP 533 Cb 0.54 -0.22 -0.15 0.00 -1.35 0.00 0.00 41.12 39.94 2wb1 n ASP 533 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2wb1 s LEU 534 N 0.00 4.75 -0.99 -2.12 2.01 -1.26 -5.06 118.68 116.02 2wb1 s LEU 534 Ca 0.35 -2.14 -0.24 0.00 0.01 0.00 0.00 54.13 52.10 2wb1 s LEU 534 Cb -0.03 -1.63 -0.08 0.00 0.01 0.00 0.00 46.19 44.46 2wb1 s LEU 534 CO 0.22 -0.38 2.01 -0.83 1.01 0.00 0.00 176.35 178.38 2wb1 s GLY 535 N 0.92 -0.05 0.10 -3.19 0.00 -1.26 -4.32 107.32 99.52 2wb1 s GLY 535 Ca 0.11 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2wb1 s GLY 535 CO -0.08 3.66 0.00 1.18 0.00 0.00 0.00 173.10 177.86 2wb1 n GLU 536 N 8.63 -1.72 -1.87 2.90 1.02 -1.26 -4.98 120.64 123.35 2wb1 n GLU 536 Ca 0.42 1.39 -0.35 0.00 -0.02 0.00 0.00 57.16 58.60 2wb1 n GLU 536 Cb 0.46 -1.34 0.05 0.00 -0.02 0.00 0.00 31.44 30.59 2wb1 n GLU 536 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 537 N -2.87 2.80 0.34 3.49 0.04 -1.26 -4.94 135.00 132.59 2wb1 s PRO 537 Ca 0.00 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2wb1 s PRO 537 Cb 0.00 -1.92 0.64 0.00 0.04 0.00 0.00 34.50 33.26 2wb1 s PRO 537 CO 0.00 -1.32 1.96 0.00 0.04 0.00 0.00 177.00 177.67 2wb1 h ALA 538 N 0.55 1.60 -3.04 8.56 0.00 -1.93 -3.38 119.26 121.61 2wb1 h ALA 538 Ca -0.49 -0.03 -0.64 0.00 0.00 0.00 0.00 54.91 53.75 2wb1 h ALA 538 Cb 1.29 -0.24 -0.20 0.00 0.00 0.00 0.00 17.79 18.64 2wb1 h ALA 538 CO 0.54 0.30 -0.60 0.42 0.00 0.00 0.00 179.25 179.91 2wb1 s ILE 539 N -5.77 4.54 -0.26 0.00 1.01 -0.74 -5.00 121.20 114.99 2wb1 s ILE 539 Ca -0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.33 2wb1 s ILE 539 Cb 0.19 -3.11 -0.11 0.00 0.01 0.00 0.00 42.46 39.44 2wb1 s ILE 539 CO 0.78 0.36 -0.32 0.18 0.00 0.00 0.00 174.94 175.94 2wb1 n LEU 540 N 4.54 1.90 0.00 2.97 7.99 -1.26 -0.93 117.00 132.22 2wb1 n LEU 540 Ca -0.16 0.28 0.00 0.00 -0.01 0.00 0.00 56.01 56.12 2wb1 n LEU 540 Cb 0.52 -0.77 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 2wb1 n LEU 540 CO 0.32 0.56 0.04 0.00 -1.51 0.00 0.00 177.39 176.81 2wb1 n ALA 541 N -4.09 0.00 -0.23 -1.18 0.00 -1.26 -3.51 120.51 110.25 2wb1 n ALA 541 Ca -0.50 0.00 0.03 0.00 0.00 0.00 0.00 53.44 52.96 2wb1 n ALA 541 Cb 0.87 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.46 2wb1 n ALA 541 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wb1 h PRO 542 N 0.00 0.36 -4.64 0.00 0.13 -2.04 -3.40 132.00 122.41 2wb1 h PRO 542 Ca 0.00 -0.02 -0.26 0.00 -0.87 0.00 0.00 66.00 64.85 2wb1 h PRO 542 Cb 0.00 -0.08 -0.15 0.00 0.13 0.00 0.00 31.00 30.90 2wb1 h PRO 542 CO 0.00 0.24 -0.63 1.03 -0.23 0.00 0.00 178.00 178.41 2wb1 s ARG 543 N -6.07 1.17 -0.65 0.86 0.52 -1.26 -5.10 118.95 108.42 2wb1 s ARG 543 Ca -0.13 -1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 53.23 2wb1 s ARG 543 Cb 0.19 0.09 0.04 0.00 0.52 0.00 0.00 34.95 35.79 2wb1 s ARG 543 CO 0.75 -0.31 1.10 -1.21 0.02 0.00 0.00 175.30 175.65 2wb1 s GLU 544 N -4.08 3.24 -0.12 3.54 2.02 -1.23 -4.05 118.70 118.02 2wb1 s GLU 544 Ca 0.33 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2wb1 s GLU 544 Cb 0.07 -4.15 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 2wb1 s GLU 544 CO 0.09 -1.84 -0.14 0.71 0.02 0.00 0.00 175.26 174.09 2wb1 s TYR 545 N 4.74 2.78 0.19 1.61 2.02 -0.10 -4.36 117.35 124.22 2wb1 s TYR 545 Ca 0.31 -0.66 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 2wb1 s TYR 545 Cb -0.12 -1.82 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 2wb1 s TYR 545 CO 0.16 -0.22 0.46 0.71 -1.57 0.00 0.00 175.55 175.09 2wb1 s TYR 546 N 0.31 3.45 0.45 2.71 1.51 -0.81 -1.78 117.35 123.18 2wb1 s TYR 546 Ca -0.11 0.69 0.08 0.00 -1.01 0.00 0.00 57.07 56.72 2wb1 s TYR 546 Cb -0.16 -2.11 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2wb1 s TYR 546 CO 0.06 0.35 0.51 0.95 -1.11 0.00 0.00 175.55 176.31 2wb1 s THR 547 N -1.75 2.68 -0.03 -0.71 -4.23 -1.26 0.09 115.64 110.42 2wb1 s THR 547 Ca 0.44 -1.16 -0.21 0.00 -1.18 0.00 0.00 61.69 59.57 2wb1 s THR 547 Cb -0.12 -2.84 -0.15 0.00 1.34 0.00 0.00 72.50 70.74 2wb1 s THR 547 CO 0.24 0.00 0.95 1.23 -0.54 0.00 0.00 174.62 176.49 2wb1 h GLY 548 N 0.74 -0.36 -0.83 3.99 0.00 -1.62 -3.19 103.07 101.80 2wb1 h GLY 548 Ca -0.39 0.13 0.34 0.00 0.00 0.00 0.00 47.33 47.42 2wb1 h GLY 548 CO 0.50 -0.13 0.45 0.28 0.00 0.00 0.00 176.54 177.64 2wb1 n LYS 549 N -5.03 -0.05 0.15 4.80 4.76 -1.25 -1.61 118.16 119.92 2wb1 n LYS 549 Ca -0.08 1.12 -0.10 0.00 -2.87 0.00 0.00 58.31 56.37 2wb1 n LYS 549 Cb 0.26 -2.02 -0.06 0.00 -1.84 0.00 0.00 35.03 31.37 2wb1 n LYS 549 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2wb1 h GLN 550 N 0.00 -0.43 -0.42 1.97 4.15 -1.81 -2.39 115.11 116.18 2wb1 h GLN 550 Ca 0.69 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 60.13 2wb1 h GLN 550 Cb 1.85 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.62 2wb1 h GLN 550 CO -0.61 -0.14 0.22 -0.24 -1.93 0.00 0.00 178.83 176.13 2wb1 h VAL 551 N -1.01 1.14 -0.09 2.39 3.04 -1.29 0.30 116.25 120.73 2wb1 h VAL 551 Ca -0.05 -0.36 -0.09 0.00 -1.01 0.00 0.00 66.70 65.19 2wb1 h VAL 551 Cb 0.49 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 2wb1 h VAL 551 CO 0.07 0.15 -0.37 0.58 -1.01 0.00 0.00 177.57 177.00 2wb1 h VAL 552 N 0.59 1.29 0.00 1.51 2.07 -1.41 -2.67 116.25 117.62 2wb1 h VAL 552 Ca 0.15 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2wb1 h VAL 552 Cb 0.04 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2wb1 h VAL 552 CO -0.02 0.41 0.00 -0.24 0.02 0.00 0.00 177.57 177.74 2wb1 n SER 553 N -4.07 0.32 0.07 0.57 2.88 0.04 -3.09 113.62 110.34 2wb1 n SER 553 Ca -0.01 0.56 0.11 0.00 -1.33 0.00 0.00 58.87 58.19 2wb1 n SER 553 Cb 0.44 -0.63 0.44 0.00 -0.75 0.00 0.00 64.21 63.70 2wb1 n SER 553 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wb1 n ALA 554 N -1.62 1.85 0.92 -1.46 0.00 -0.90 -2.76 120.51 116.54 2wb1 n ALA 554 Ca 0.04 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2wb1 n ALA 554 Cb 0.27 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.42 2wb1 n ALA 554 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wb1 n PHE 555 N -1.89 0.00 -3.66 0.00 3.72 -1.18 -4.99 117.46 109.45 2wb1 n PHE 555 Ca 0.04 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.07 2wb1 n PHE 555 Cb 0.26 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 2wb1 n PHE 555 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2wb1 s LEU 556 N -2.03 4.30 0.17 4.37 1.43 -1.11 -5.03 118.68 120.78 2wb1 s LEU 556 Ca 0.23 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.50 2wb1 s LEU 556 Cb 0.18 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 2wb1 s LEU 556 CO 0.37 0.22 1.20 -2.84 0.23 0.00 0.00 176.35 175.53 2wb1 s PRO 557 N -0.10 4.48 0.00 1.29 0.02 -1.26 -4.75 135.00 134.68 2wb1 s PRO 557 Ca 0.15 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.03 2wb1 s PRO 557 Cb -0.13 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.14 2wb1 s PRO 557 CO 0.03 -0.11 0.41 1.63 -0.33 0.00 0.00 177.00 178.64 2wb1 n LYS 558 N 2.71 0.79 0.00 5.54 4.76 -1.26 -1.55 118.16 129.15 2wb1 n LYS 558 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 2wb1 n LYS 558 Cb 0.45 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2wb1 n LYS 558 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2wb1 n ASP 559 N 0.08 0.96 -4.71 4.39 5.75 -1.26 -4.20 116.55 117.56 2wb1 n ASP 559 Ca 0.00 -1.41 -0.42 0.00 -0.01 0.00 0.00 54.79 52.95 2wb1 n ASP 559 Cb 0.19 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 2wb1 n ASP 559 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2wb1 s PHE 560 N -0.41 3.64 -0.02 2.11 5.36 -0.60 -4.62 117.98 123.43 2wb1 s PHE 560 Ca 0.00 1.63 0.04 0.00 -0.96 0.00 0.00 56.93 57.64 2wb1 s PHE 560 Cb 0.00 -3.09 -0.00 0.00 -0.34 0.00 0.00 43.02 39.59 2wb1 s PHE 560 CO 0.00 -0.02 -0.13 -0.80 -1.46 0.00 0.00 175.22 172.81 2wb1 s ASN 561 N 0.99 1.57 -0.14 6.13 0.01 -1.26 -1.41 114.94 120.84 2wb1 s ASN 561 Ca 0.50 -0.25 -0.12 0.00 -0.71 0.00 0.00 52.86 52.28 2wb1 s ASN 561 Cb -0.20 -0.32 0.04 0.00 0.41 0.00 0.00 41.25 41.17 2wb1 s ASN 561 CO 0.26 0.13 0.37 0.12 -1.51 0.00 0.00 177.10 176.46 2wb1 s PHE 562 N -0.06 -0.42 -0.00 2.20 5.36 0.13 -4.73 117.98 120.46 2wb1 s PHE 562 Ca 0.00 1.01 0.02 0.00 -0.96 0.00 0.00 56.93 57.01 2wb1 s PHE 562 Cb -0.08 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.74 2wb1 s PHE 562 CO 0.00 -0.21 -0.08 -1.01 -1.46 0.00 0.00 175.22 172.46 2wb1 s HIS 563 N 0.35 0.70 0.00 10.12 3.76 -1.25 -1.41 115.29 127.56 2wb1 s HIS 563 Ca -0.01 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2wb1 s HIS 563 Cb -0.03 -0.44 0.00 0.00 1.11 0.00 0.00 32.58 33.21 2wb1 s HIS 563 CO -0.01 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.27 2wb1 n GLY 564 N 2.74 2.11 3.75 -2.22 0.00 -0.85 -5.00 105.19 105.72 2wb1 n GLY 564 Ca -0.14 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 2wb1 n GLY 564 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wb1 s GLN 565 N -2.00 4.61 0.78 1.61 -0.21 -1.26 0.44 119.66 123.62 2wb1 s GLN 565 Ca 0.00 1.24 -0.11 0.00 0.02 0.00 0.00 55.36 56.50 2wb1 s GLN 565 Cb 0.00 -3.34 0.06 0.00 1.00 0.00 0.00 33.01 30.73 2wb1 s GLN 565 CO 0.00 0.35 1.09 0.00 -2.12 0.00 0.00 175.29 174.62 2wb1 s ALA 566 N -0.40 2.39 0.62 6.09 0.00 -1.03 -4.84 121.76 124.59 2wb1 s ALA 566 Ca 0.41 -0.21 0.31 0.00 0.00 0.00 0.00 51.96 52.46 2wb1 s ALA 566 Cb -0.22 -3.10 1.70 0.00 0.00 0.00 0.00 23.12 21.50 2wb1 s ALA 566 CO 0.27 -1.59 2.04 -0.97 0.00 0.00 0.00 175.76 175.50 2wb1 h ASN 567 N -0.99 0.00 1.21 0.00 -0.73 -1.78 -1.33 115.58 111.96 2wb1 h ASN 567 Ca -0.46 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.70 2wb1 h ASN 567 Cb 1.26 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.85 2wb1 h ASN 567 CO 0.60 0.00 -0.04 0.58 -0.37 0.00 0.00 177.43 178.20 2wb1 h VAL 568 N 0.00 0.09 -0.79 2.57 2.07 -1.85 -3.42 116.25 114.92 2wb1 h VAL 568 Ca 0.08 -0.72 -0.38 0.00 0.82 0.00 0.00 66.70 66.50 2wb1 h VAL 568 Cb 0.63 1.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2wb1 h VAL 568 CO -0.00 0.04 0.97 -0.55 0.02 0.00 0.00 177.57 178.04 2wb1 s SER 569 N -5.88 5.49 0.10 0.57 0.15 -0.50 -4.65 113.70 108.98 2wb1 s SER 569 Ca 0.02 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 55.63 2wb1 s SER 569 Cb 0.08 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2wb1 s SER 569 CO 0.58 -2.44 0.18 -0.94 1.20 0.00 0.00 173.24 171.82 2wb1 s SER 570 N 7.14 0.14 0.00 5.45 1.04 -1.26 -4.64 113.70 121.57 2wb1 s SER 570 Ca 0.64 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2wb1 s SER 570 Cb -0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2wb1 s SER 570 CO -0.02 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2wb1 n GLY 571 N -0.07 1.08 0.26 7.32 0.00 -1.26 -0.01 105.19 112.51 2wb1 n GLY 571 Ca -0.14 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.20 2wb1 n GLY 571 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wb1 h PRO 572 N 0.00 0.00 -0.40 1.61 0.11 -1.99 -2.48 132.00 128.85 2wb1 h PRO 572 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wb1 h PRO 572 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wb1 h PRO 572 CO 0.00 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.35 2wb1 n ARG 573 N -4.34 2.45 -1.68 1.05 1.74 0.98 -5.00 116.66 111.86 2wb1 n ARG 573 Ca -0.03 -2.25 -0.44 0.00 -0.77 0.00 0.00 57.85 54.36 2wb1 n ARG 573 Cb 0.11 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 2wb1 n ARG 573 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wb1 n LEU 574 N 1.40 3.27 -0.00 0.55 0.00 -0.36 -4.28 117.00 117.58 2wb1 n LEU 574 Ca 0.19 1.14 -0.01 0.00 0.00 0.00 0.00 56.01 57.33 2wb1 n LEU 574 Cb 0.58 -1.45 -0.00 0.00 0.00 0.00 0.00 43.42 42.55 2wb1 n LEU 574 CO 0.15 -0.40 -0.06 0.00 0.00 0.00 0.00 177.39 177.08 2wb1 n LYS 576 N -2.81 0.00 -4.09 0.00 5.02 -1.26 -4.89 118.16 110.13 2wb1 n LYS 576 Ca -0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 2wb1 n LYS 576 Cb 0.04 -3.90 -0.11 0.00 -0.02 0.00 0.00 35.03 31.05 2wb1 n LYS 576 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2wb1 s ASN 577 N -2.16 0.74 0.49 4.39 3.84 -1.26 -5.05 114.94 115.92 2wb1 s ASN 577 Ca 0.00 -0.79 0.28 0.00 0.21 0.00 0.00 52.86 52.57 2wb1 s ASN 577 Cb 0.00 0.11 0.93 0.00 -0.55 0.00 0.00 41.25 41.74 2wb1 s ASN 577 CO 0.00 -0.40 1.82 -0.33 -2.79 0.00 0.00 177.10 175.41 2wb1 h GLU 578 N 3.74 0.00 -5.00 0.43 5.08 -1.92 -3.37 114.58 113.54 2wb1 h GLU 578 Ca -0.34 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.34 2wb1 h GLU 578 Cb 1.18 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 2wb1 h GLU 578 CO 0.54 0.06 0.36 0.34 -1.00 0.00 0.00 179.01 179.31 2wb1 s ASP 579 N -5.96 6.24 -0.15 1.42 3.68 -1.26 -5.01 116.67 115.63 2wb1 s ASP 579 Ca 0.03 -1.35 -0.04 0.00 2.13 0.00 0.00 52.55 53.32 2wb1 s ASP 579 Cb 0.08 -2.36 0.07 0.00 -1.45 0.00 0.00 42.92 39.26 2wb1 s ASP 579 CO 0.61 -1.23 0.19 0.00 0.13 0.00 0.00 175.17 174.86 2wb1 h PRO 581 N 8.34 0.00 -5.96 0.00 0.11 -1.96 -3.40 132.00 129.13 2wb1 h PRO 581 Ca -0.15 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.33 2wb1 h PRO 581 Cb 1.13 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2wb1 h PRO 581 CO 0.22 0.00 -0.53 -1.01 -0.21 0.00 0.00 178.00 176.46 2wb1 s HIS 582 N -4.27 3.41 -1.26 0.65 3.76 -1.26 -5.00 115.29 111.32 2wb1 s HIS 582 Ca -0.05 0.23 -0.08 0.00 -0.15 0.00 0.00 55.06 55.01 2wb1 s HIS 582 Cb 0.13 -1.74 -0.09 0.00 1.11 0.00 0.00 32.58 31.99 2wb1 s HIS 582 CO 0.43 0.58 2.70 -3.47 -0.85 0.00 0.00 174.74 174.12 2wb1 n ASP 583 N 0.63 7.15 0.00 1.40 2.03 -1.26 -4.51 116.55 121.99 2wb1 n ASP 583 Ca -0.08 -2.47 0.00 0.00 0.52 0.00 0.00 54.79 52.76 2wb1 n ASP 583 Cb 0.52 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 2wb1 n ASP 583 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2wb1 n SER 584 N 3.71 0.68 -3.93 1.67 2.88 -1.26 -2.48 113.62 114.89 2wb1 n SER 584 Ca 0.64 -1.19 -0.30 0.00 -1.33 0.00 0.00 58.87 56.69 2wb1 n SER 584 Cb 0.24 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 2wb1 n SER 584 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2wb1 s TYR 585 N -0.19 3.10 -0.06 0.66 5.04 -1.26 -2.47 117.35 122.17 2wb1 s TYR 585 Ca 0.00 -3.08 -0.32 0.00 -2.44 0.00 0.00 57.07 51.23 2wb1 s TYR 585 Cb 0.00 -2.73 -0.10 0.00 0.35 0.00 0.00 41.96 39.48 2wb1 s TYR 585 CO 0.00 -0.76 1.97 0.28 -1.34 0.00 0.00 175.55 175.70 2wb1 n VAL 586 N 3.25 0.63 -3.91 3.14 0.31 0.17 -4.06 118.33 117.86 2wb1 n VAL 586 Ca 0.05 -0.16 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 2wb1 n VAL 586 Cb 0.33 -2.13 -0.16 0.00 -0.91 0.00 0.00 33.84 30.98 2wb1 n VAL 586 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wb1 s VAL 587 N 4.82 1.33 -0.15 2.52 1.01 -0.89 -2.02 120.40 127.03 2wb1 s VAL 587 Ca 0.93 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2wb1 s VAL 587 Cb -0.55 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.23 2wb1 s VAL 587 CO 0.46 -0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.69 2wb1 s ILE 588 N 1.50 2.48 0.05 2.22 1.01 -0.50 -2.27 121.20 125.69 2wb1 s ILE 588 Ca -0.04 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.87 2wb1 s ILE 588 Cb -0.18 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2wb1 s ILE 588 CO -0.07 0.53 -0.25 -0.54 0.00 0.00 0.00 174.94 174.60 2wb1 s LYS 589 N 0.81 1.68 -0.91 2.79 1.02 -0.79 0.20 119.74 124.54 2wb1 s LYS 589 Ca -0.06 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.73 2wb1 s LYS 589 Cb -0.15 -1.87 0.10 0.00 -0.52 0.00 0.00 37.83 35.38 2wb1 s LYS 589 CO -0.01 0.48 0.29 0.09 -0.92 0.00 0.00 175.35 175.29 2wb1 n ASN 590 N 1.71 -1.79 0.00 2.83 3.02 -0.61 -0.35 115.26 120.06 2wb1 n ASN 590 Ca -0.17 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2wb1 n ASN 590 Cb 0.52 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 2wb1 n ASN 590 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 591 N -0.81 0.41 3.15 7.41 0.00 -0.50 -4.06 105.19 110.79 2wb1 n GLY 591 Ca 0.04 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2wb1 n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 592 N -2.00 1.71 -0.65 -0.61 -1.09 0.52 -4.54 121.20 114.55 2wb1 s ILE 592 Ca 0.00 -0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 57.36 2wb1 s ILE 592 Cb 0.00 -1.50 0.06 0.00 -1.58 0.00 0.00 42.46 39.44 2wb1 s ILE 592 CO 0.00 0.48 1.02 -0.22 -1.23 0.00 0.00 174.94 174.99 2wb1 s LEU 593 N 0.40 4.09 -0.14 2.97 0.20 -1.26 -1.88 118.68 123.06 2wb1 s LEU 593 Ca -0.16 -0.75 0.01 0.00 0.69 0.00 0.00 54.13 53.92 2wb1 s LEU 593 Cb -0.17 -2.53 -0.24 0.00 -0.43 0.00 0.00 46.19 42.83 2wb1 s LEU 593 CO 0.07 -1.47 0.27 0.18 -0.29 0.00 0.00 176.35 175.11 2wb1 n LEU 594 N 7.97 2.13 -4.01 -0.68 7.99 -0.98 -4.62 117.00 124.80 2wb1 n LEU 594 Ca -0.01 0.16 -0.08 0.00 -0.01 0.00 0.00 56.01 56.07 2wb1 n LEU 594 Cb 0.46 -0.68 -0.09 0.00 -0.11 0.00 0.00 43.42 43.00 2wb1 n LEU 594 CO 0.65 0.75 -0.28 -1.61 -1.51 0.00 0.00 177.39 175.39 2wb1 s GLU 595 N -2.55 0.62 0.14 3.23 2.02 -0.96 -5.00 118.70 116.20 2wb1 s GLU 595 Ca -0.20 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 53.76 2wb1 s GLU 595 Cb 0.07 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.53 2wb1 s GLU 595 CO 0.75 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 176.30 2wb1 n GLY 596 N 0.34 -2.91 3.26 -1.39 0.00 -1.26 -2.09 105.19 101.13 2wb1 n GLY 596 Ca -0.16 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 43.93 2wb1 n GLY 596 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s VAL 597 N -0.74 1.22 -0.16 1.61 0.11 -1.03 -4.69 120.40 116.71 2wb1 s VAL 597 Ca 0.00 -2.07 -0.07 0.00 -2.93 0.00 0.00 61.98 56.91 2wb1 s VAL 597 Cb 0.00 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 2wb1 s VAL 597 CO 0.00 -0.73 0.08 -0.36 -3.33 0.00 0.00 175.10 170.76 2wb1 s PHE 598 N -3.29 3.34 0.00 1.54 2.99 -1.25 -4.82 117.98 116.49 2wb1 s PHE 598 Ca 0.17 0.22 0.00 0.00 0.00 0.00 0.00 56.93 57.32 2wb1 s PHE 598 Cb 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 43.02 41.01 2wb1 s PHE 598 CO 0.01 0.32 0.00 -0.40 -0.00 0.00 0.00 175.22 175.15 2wb1 n ASP 599 N 3.09 0.00 -4.70 1.36 5.75 -1.26 -2.71 116.55 118.08 2wb1 n ASP 599 Ca -0.17 0.00 -0.32 0.00 -0.01 0.00 0.00 54.79 54.29 2wb1 n ASP 599 Cb 0.53 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.75 2wb1 n ASP 599 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2wb1 s LYS 600 N 1.25 1.50 0.00 0.11 2.20 -1.25 0.16 119.74 123.70 2wb1 s LYS 600 Ca 0.00 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 2wb1 s LYS 600 Cb 0.00 -1.78 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 2wb1 s LYS 600 CO 0.00 -2.28 0.00 1.63 -0.36 0.00 0.00 175.35 174.34 2wb1 n LYS 601 N -3.75 0.00 -0.11 4.03 4.76 -1.26 -3.17 118.16 118.66 2wb1 n LYS 601 Ca 0.12 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.31 2wb1 n LYS 601 Cb 0.52 -0.13 -0.11 0.00 -1.84 0.00 0.00 35.03 33.46 2wb1 n LYS 601 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wb1 n ALA 602 N 0.00 0.99 -3.75 7.82 0.00 -0.97 -3.66 120.51 120.94 2wb1 n ALA 602 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 53.44 52.62 2wb1 n ALA 602 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 2wb1 n ALA 602 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wb1 n ILE 603 N -4.19 0.00 0.00 0.00 5.41 0.42 -2.68 119.36 118.32 2wb1 n ILE 603 Ca -0.41 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 62.87 2wb1 n ILE 603 Cb 0.81 0.15 0.00 0.00 -0.71 0.00 0.00 39.64 39.90 2wb1 n ILE 603 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wb1 n GLY 604 N 2.09 0.41 3.29 7.39 0.00 -1.26 -3.95 105.19 113.16 2wb1 n GLY 604 Ca -0.02 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 2wb1 n GLY 604 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s ASN 605 N -0.44 -1.00 -1.79 1.61 4.22 -1.21 -3.59 114.94 112.74 2wb1 s ASN 605 Ca 0.00 1.03 -0.18 0.00 -2.14 0.00 0.00 52.86 51.57 2wb1 s ASN 605 Cb 0.00 -1.50 0.17 0.00 1.28 0.00 0.00 41.25 41.20 2wb1 s ASN 605 CO 0.00 -5.35 0.47 1.67 -2.04 0.00 0.00 177.10 171.85 2wb1 n GLN 606 N -5.64 -0.98 -3.43 3.55 0.00 -0.50 -4.90 117.38 105.47 2wb1 n GLN 606 Ca 0.10 0.15 -0.26 0.00 -0.00 0.00 0.00 57.00 56.99 2wb1 n GLN 606 Cb 0.59 -4.48 -0.09 0.00 0.00 0.00 0.00 30.24 26.26 2wb1 n GLN 606 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2wb1 n GLN 607 N -4.21 0.83 -0.85 3.69 1.13 -1.24 -5.05 117.38 111.68 2wb1 n GLN 607 Ca 0.00 -3.56 -0.30 0.00 -1.94 0.00 0.00 57.00 51.20 2wb1 n GLN 607 Cb 0.52 -1.71 0.16 0.00 0.11 0.00 0.00 30.24 29.31 2wb1 n GLN 607 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 2wb1 s PRO 608 N -0.78 0.97 -1.70 -1.09 0.02 -1.26 -3.47 135.00 127.70 2wb1 s PRO 608 Ca 0.33 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2wb1 s PRO 608 Cb 0.07 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.85 2wb1 s PRO 608 CO -0.15 -2.57 0.00 0.39 -0.33 0.00 0.00 177.00 174.34 2wb1 n GLU 609 N -4.16 -1.56 -2.18 5.54 1.02 -1.26 -4.97 120.64 113.06 2wb1 n GLU 609 Ca 0.09 1.04 -0.26 0.00 -0.02 0.00 0.00 57.16 58.01 2wb1 n GLU 609 Cb 0.53 -5.43 0.10 0.00 -0.02 0.00 0.00 31.44 26.62 2wb1 n GLU 609 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wb1 s SER 610 N -2.55 4.42 0.37 1.62 1.04 -1.23 -4.93 113.70 112.45 2wb1 s SER 610 Ca 0.00 0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.83 2wb1 s SER 610 Cb 0.00 -0.83 0.75 0.00 0.10 0.00 0.00 66.02 66.04 2wb1 s SER 610 CO 0.00 -1.86 2.00 0.40 0.98 0.00 0.00 173.24 174.75 2wb1 h ILE 611 N -0.82 1.07 -0.20 -1.02 2.04 -1.64 -2.63 117.51 114.32 2wb1 h ILE 611 Ca -0.43 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 2wb1 h ILE 611 Cb 1.30 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2wb1 h ILE 611 CO 0.54 0.13 -0.09 0.25 0.00 0.00 0.00 178.15 178.99 2wb1 h LEU 612 N 0.73 0.42 0.02 1.44 5.85 -1.82 -2.45 115.31 119.50 2wb1 h LEU 612 Ca 0.25 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2wb1 h LEU 612 Cb 0.10 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2wb1 h LEU 612 CO -0.07 0.73 -0.52 -0.74 -0.34 0.00 0.00 178.44 177.51 2wb1 h HIS 613 N 0.11 -1.52 -0.56 1.25 2.76 -1.76 -2.19 115.15 113.25 2wb1 h HIS 613 Ca 0.05 0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 2wb1 h HIS 613 Cb 0.57 0.66 -0.03 0.00 1.55 0.00 0.00 27.41 30.16 2wb1 h HIS 613 CO 0.06 -0.56 0.37 -1.49 -1.30 0.00 0.00 177.93 175.01 2wb1 h TRP 614 N -0.66 0.60 0.00 5.26 4.06 -1.54 0.15 115.95 123.82 2wb1 h TRP 614 Ca 0.01 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 2wb1 h TRP 614 Cb 0.70 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.66 2wb1 h TRP 614 CO -0.50 0.35 -0.01 -0.07 -3.56 0.00 0.00 178.44 174.64 2wb1 h LEU 615 N 0.62 0.00 0.00 -4.49 3.38 -0.89 0.49 115.31 114.42 2wb1 h LEU 615 Ca 0.23 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.85 2wb1 h LEU 615 Cb 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2wb1 h LEU 615 CO -0.06 0.01 -2.33 -0.38 0.09 0.00 0.00 178.44 175.78 2wb1 n ILE 616 N -3.66 1.33 0.35 1.22 5.41 -0.25 -3.83 119.36 119.94 2wb1 n ILE 616 Ca -0.03 -0.65 0.14 0.00 1.00 0.00 0.00 62.75 63.21 2wb1 n ILE 616 Cb 0.10 -0.96 0.43 0.00 -0.71 0.00 0.00 39.64 38.51 2wb1 n ILE 616 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2wb1 h LYS 617 N 0.00 0.00 -0.18 0.38 3.64 -0.51 -3.28 116.57 116.63 2wb1 h LYS 617 Ca -0.52 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.69 2wb1 h LYS 617 Cb 1.98 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 33.57 2wb1 h LYS 617 CO -0.03 0.00 -0.78 -0.85 -2.27 0.00 0.00 179.45 175.52 2wb1 n GLU 618 N -2.77 1.50 -4.07 1.90 0.28 0.14 -5.04 120.64 112.58 2wb1 n GLU 618 Ca 0.03 -3.10 -0.10 0.00 -0.16 0.00 0.00 57.16 53.82 2wb1 n GLU 618 Cb 0.39 -1.27 -0.08 0.00 1.43 0.00 0.00 31.44 31.91 2wb1 n GLU 618 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2wb1 s TYR 619 N -2.44 0.69 0.82 -1.84 1.51 -1.24 -4.97 117.35 109.89 2wb1 s TYR 619 Ca 0.38 -1.01 -0.13 0.00 -1.01 0.00 0.00 57.07 55.29 2wb1 s TYR 619 Cb 0.38 -0.21 0.06 0.00 -0.11 0.00 0.00 41.96 42.07 2wb1 s TYR 619 CO -0.08 -0.73 0.96 -1.13 -1.11 0.00 0.00 175.55 173.46 2wb1 n SER 620 N -0.26 0.12 0.19 2.29 3.41 -1.26 -4.82 113.62 113.29 2wb1 n SER 620 Ca -0.03 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 2wb1 n SER 620 Cb 0.64 -1.41 0.29 0.00 -0.26 0.00 0.00 64.21 63.46 2wb1 n SER 620 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2wb1 h ASP 621 N -0.98 0.00 1.02 4.04 3.58 -1.97 -2.49 116.42 119.62 2wb1 h ASP 621 Ca -0.45 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.86 2wb1 h ASP 621 Cb 1.30 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2wb1 h ASP 621 CO 0.43 0.36 -0.66 -0.33 -2.88 0.00 0.00 179.24 176.16 2wb1 h GLU 622 N 0.00 0.00 0.23 0.28 4.39 -1.96 -3.26 114.58 114.26 2wb1 h GLU 622 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 2wb1 h GLU 622 Cb 0.99 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.67 2wb1 h GLU 622 CO 0.05 0.66 -1.58 -0.92 -1.16 0.00 0.00 179.01 176.06 2wb1 h TYR 623 N 0.00 0.89 -0.68 4.33 3.20 -1.90 -3.06 116.97 119.75 2wb1 h TYR 623 Ca -0.01 -0.65 0.08 0.00 3.14 0.00 0.00 58.73 61.29 2wb1 h TYR 623 Cb 1.34 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.47 2wb1 h TYR 623 CO 0.00 1.61 -0.53 0.78 -1.64 0.00 0.00 178.16 178.38 2wb1 h GLY 624 N 0.32 -0.77 0.61 1.82 0.00 -1.53 0.54 103.07 104.07 2wb1 h GLY 624 Ca -0.29 0.70 0.06 0.00 0.00 0.00 0.00 47.33 47.80 2wb1 h GLY 624 CO 0.24 -0.08 0.26 1.70 0.00 0.00 0.00 176.54 178.67 2wb1 h LYS 625 N -0.21 0.48 0.77 4.80 3.64 -1.70 -2.51 116.57 121.84 2wb1 h LYS 625 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2wb1 h LYS 625 Cb 0.53 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2wb1 h LYS 625 CO -0.75 0.32 -0.43 2.35 -2.27 0.00 0.00 179.45 178.67 2wb1 h TRP 626 N 0.50 -1.12 -0.17 1.91 7.01 -1.10 -2.21 115.95 120.76 2wb1 h TRP 626 Ca 0.26 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.28 2wb1 h TRP 626 Cb 0.22 0.39 -0.07 0.00 -2.10 0.00 0.00 29.16 27.60 2wb1 h TRP 626 CO -0.12 -0.66 -0.54 1.25 -2.79 0.00 0.00 178.44 175.58 2wb1 h LEU 627 N -1.10 -1.74 -0.93 0.65 5.85 0.06 -0.19 115.31 117.90 2wb1 h LEU 627 Ca -0.10 0.21 0.26 0.00 0.84 0.00 0.00 57.88 59.09 2wb1 h LEU 627 Cb 0.87 0.68 -0.14 0.00 0.37 0.00 0.00 40.66 42.45 2wb1 h LEU 627 CO 0.13 -0.47 0.40 0.24 -0.34 0.00 0.00 178.44 178.40 2wb1 h MET 628 N -0.55 0.30 0.00 1.25 2.86 -1.47 -0.16 114.93 117.16 2wb1 h MET 628 Ca 0.04 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2wb1 h MET 628 Cb 0.66 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 2wb1 h MET 628 CO -0.46 0.20 -0.36 -0.44 1.06 0.00 0.00 176.91 176.92 2wb1 h ASP 629 N 0.31 0.00 0.00 1.22 3.32 -0.42 -3.36 116.42 117.49 2wb1 h ASP 629 Ca 0.62 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.67 2wb1 h ASP 629 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2wb1 h ASP 629 CO -0.60 0.36 -0.25 0.59 -1.72 0.00 0.00 179.24 177.62 2wb1 n ASN 630 N -3.36 0.72 -0.58 6.45 3.02 -0.14 -4.20 115.26 117.17 2wb1 n ASN 630 Ca 0.01 0.11 0.47 0.00 -0.03 0.00 0.00 54.58 55.14 2wb1 n ASN 630 Cb 0.56 -0.40 0.79 0.00 -0.61 0.00 0.00 39.78 40.11 2wb1 n ASN 630 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2wb1 h LEU 631 N -0.25 0.03 0.00 3.41 5.85 -1.62 0.56 115.31 123.30 2wb1 h LEU 631 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2wb1 h LEU 631 Cb 0.25 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2wb1 h LEU 631 CO 0.00 -0.02 -0.87 0.49 -0.34 0.00 0.00 178.44 177.70 2wb1 n PHE 632 N -4.10 0.57 0.42 1.25 3.72 -1.26 -2.35 117.46 115.71 2wb1 n PHE 632 Ca 0.39 0.16 0.13 0.00 -0.05 0.00 0.00 57.45 58.08 2wb1 n PHE 632 Cb 1.75 -0.67 0.29 0.00 -0.94 0.00 0.00 39.48 39.91 2wb1 n PHE 632 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2wb1 h ARG 633 N 0.00 0.00 0.12 -1.08 9.65 -0.05 -3.27 114.38 119.74 2wb1 h ARG 633 Ca 0.00 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 2wb1 h ARG 633 Cb 0.81 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 2wb1 h ARG 633 CO 0.00 0.00 -1.76 0.28 2.80 0.00 0.00 179.97 181.29 2wb1 h VAL 634 N 0.00 0.88 -0.19 0.20 2.07 -1.29 -2.96 116.25 114.97 2wb1 h VAL 634 Ca 0.00 -2.57 0.05 0.00 0.82 0.00 0.00 66.70 65.00 2wb1 h VAL 634 Cb 0.87 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 2wb1 h VAL 634 CO 0.00 0.80 0.13 -0.26 0.02 0.00 0.00 177.57 178.27 2wb1 h PHE 635 N 0.07 0.03 0.23 1.57 0.05 -1.55 -2.53 116.94 114.80 2wb1 h PHE 635 Ca -0.33 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.45 2wb1 h PHE 635 Cb 2.04 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.98 2wb1 h PHE 635 CO 0.07 0.01 -0.11 0.82 -0.18 0.00 0.00 178.31 178.92 2wb1 h ILE 636 N 0.03 0.00 -0.10 -0.55 1.08 -1.61 -3.17 117.51 113.18 2wb1 h ILE 636 Ca 0.09 -0.59 0.03 0.00 -0.39 0.00 0.00 64.86 64.00 2wb1 h ILE 636 Cb 0.32 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2wb1 h ILE 636 CO -0.00 0.00 0.13 -0.09 -0.69 0.00 0.00 178.15 177.50 2wb1 h ARG 637 N -0.89 0.00 -0.49 2.37 9.65 -1.50 0.23 114.38 123.76 2wb1 h ARG 637 Ca -0.03 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2wb1 h ARG 637 Cb 0.23 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2wb1 h ARG 637 CO 0.05 0.00 -0.20 0.35 2.80 0.00 0.00 179.97 182.97 2wb1 h PHE 638 N 0.00 1.13 -0.57 2.20 3.57 -1.55 -2.99 116.94 118.73 2wb1 h PHE 638 Ca 0.05 -0.27 -0.07 0.00 3.53 0.00 0.00 57.97 61.21 2wb1 h PHE 638 Cb 0.31 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wb1 h PHE 638 CO 0.00 1.09 0.09 0.28 -2.23 0.00 0.00 178.31 177.54 2wb1 h VAL 639 N 0.86 1.26 -0.08 1.41 2.07 -0.53 0.47 116.25 121.70 2wb1 h VAL 639 Ca 0.11 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2wb1 h VAL 639 Cb 0.77 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2wb1 h VAL 639 CO 0.06 0.36 0.20 -0.33 0.02 0.00 0.00 177.57 177.88 2wb1 h GLU 640 N 0.84 0.00 0.00 1.57 5.08 -1.38 0.31 114.58 120.99 2wb1 h GLU 640 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2wb1 h GLU 640 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2wb1 h GLU 640 CO 0.01 0.00 -0.26 1.28 -1.00 0.00 0.00 179.01 179.04 2wb1 n LEU 641 N -3.28 0.80 -0.34 1.33 4.32 -0.68 -4.62 117.00 114.53 2wb1 n LEU 641 Ca -0.01 0.37 0.11 0.00 -0.02 0.00 0.00 56.01 56.46 2wb1 n LEU 641 Cb 0.28 -0.65 0.30 0.00 -1.62 0.00 0.00 43.42 41.73 2wb1 n LEU 641 CO 0.21 -0.47 1.22 -0.61 -1.22 0.00 0.00 177.39 176.51 2wb1 h GLN 642 N -0.44 0.82 -0.19 3.23 5.75 0.09 -3.48 115.11 120.88 2wb1 h GLN 642 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2wb1 h GLN 642 Cb 0.26 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.63 2wb1 h GLN 642 CO 0.00 0.54 0.00 0.41 -2.65 0.00 0.00 178.83 177.13 2wb1 n GLY 643 N -1.36 -1.70 2.96 2.39 0.00 0.11 -5.06 105.19 102.52 2wb1 n GLY 643 Ca 0.20 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2wb1 n GLY 643 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wb1 s PHE 644 N -0.46 -0.49 0.00 1.61 5.36 -1.26 -5.06 117.98 117.68 2wb1 s PHE 644 Ca 0.00 0.83 0.00 0.00 -0.96 0.00 0.00 56.93 56.80 2wb1 s PHE 644 Cb 0.00 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 2wb1 s PHE 644 CO 0.00 -0.48 0.00 -2.37 -1.46 0.00 0.00 175.22 170.91 2wb1 n THR 645 N 5.35 0.00 -3.24 0.12 5.66 -1.26 -5.13 114.28 115.78 2wb1 n THR 645 Ca -0.06 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.91 2wb1 n THR 645 Cb 0.50 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.25 2wb1 n THR 645 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2wb1 s MET 646 N 1.71 0.58 -0.05 1.09 1.75 -1.26 -4.79 119.30 118.33 2wb1 s MET 646 Ca 0.00 0.07 -0.02 0.00 -1.25 0.00 0.00 55.69 54.49 2wb1 s MET 646 Cb 0.00 -0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.55 2wb1 s MET 646 CO 0.00 -1.09 0.08 -0.98 -0.65 0.00 0.00 175.02 172.38 2wb1 s ARG 647 N 2.36 3.14 0.52 4.11 1.70 -1.26 -5.01 118.95 124.51 2wb1 s ARG 647 Ca 0.12 -0.38 0.18 0.00 -0.47 0.00 0.00 55.73 55.17 2wb1 s ARG 647 Cb -0.10 -2.92 1.30 0.00 -0.57 0.00 0.00 34.95 32.66 2wb1 s ARG 647 CO -0.21 0.69 2.14 1.25 -1.08 0.00 0.00 175.30 178.09 2wb1 h LEU 648 N 4.54 0.00 -0.11 -1.89 6.46 -2.03 -0.96 115.31 121.31 2wb1 h LEU 648 Ca -0.51 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 2wb1 h LEU 648 Cb 1.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2wb1 h LEU 648 CO 0.60 0.03 0.00 -0.62 -0.62 0.00 0.00 178.44 177.82 2wb1 n GLU 649 N -4.42 0.02 0.25 1.25 4.71 -1.26 -1.56 120.64 119.64 2wb1 n GLU 649 Ca -0.03 0.37 0.11 0.00 -0.01 0.00 0.00 57.16 57.61 2wb1 n GLU 649 Cb 0.11 -1.55 0.68 0.00 -1.01 0.00 0.00 31.44 29.67 2wb1 n GLU 649 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2wb1 h ASP 650 N 0.00 0.00 0.00 1.62 3.32 -1.59 -3.32 116.42 116.45 2wb1 h ASP 650 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wb1 h ASP 650 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2wb1 h ASP 650 CO 0.00 0.14 -0.79 0.52 -1.72 0.00 0.00 179.24 177.39 2wb1 n VAL 651 N -3.75 0.00 -3.33 -1.35 0.31 -0.60 -4.84 118.33 104.78 2wb1 n VAL 651 Ca -0.02 -0.24 -0.38 0.00 -0.01 0.00 0.00 64.34 63.69 2wb1 n VAL 651 Cb 0.25 0.66 -0.06 0.00 -0.91 0.00 0.00 33.84 33.77 2wb1 n VAL 651 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wb1 s SER 652 N -2.10 6.93 -0.08 4.52 1.04 -1.19 -4.38 113.70 118.43 2wb1 s SER 652 Ca -0.00 1.10 0.16 0.00 0.48 0.00 0.00 55.95 57.68 2wb1 s SER 652 Cb 0.04 -2.32 0.33 0.00 0.10 0.00 0.00 66.02 64.16 2wb1 s SER 652 CO 0.21 0.21 1.15 0.00 0.98 0.00 0.00 173.24 175.80 2wb1 n LEU 653 N 2.23 1.54 -4.38 2.42 -0.00 -1.26 -4.95 117.00 112.60 2wb1 n LEU 653 Ca -0.10 -2.56 -0.51 0.00 -0.00 0.00 0.00 56.01 52.83 2wb1 n LEU 653 Cb 0.51 -0.23 -0.05 0.00 -0.00 0.00 0.00 43.42 43.66 2wb1 n LEU 653 CO 0.41 0.76 0.20 0.61 -0.00 0.00 0.00 177.39 179.37 2wb1 n GLY 654 N -0.38 -1.20 1.45 1.47 0.00 -1.26 -4.05 105.19 101.23 2wb1 n GLY 654 Ca 0.10 0.49 0.18 0.00 0.00 0.00 0.00 46.02 46.79 2wb1 n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb1 n ASP 655 N 1.79 -8.19 0.00 1.61 9.92 -1.26 -4.67 116.55 115.75 2wb1 n ASP 655 Ca 0.18 1.32 0.00 0.00 -0.53 0.00 0.00 54.79 55.76 2wb1 n ASP 655 Cb 0.19 -4.89 0.00 0.00 -0.64 0.00 0.00 41.12 35.78 2wb1 n ASP 655 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2wb1 n ASP 656 N -4.34 0.00 0.23 -2.24 2.03 -1.26 -2.71 116.55 108.25 2wb1 n ASP 656 Ca -0.08 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.30 2wb1 n ASP 656 Cb 0.69 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.63 2wb1 n ASP 656 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2wb1 h VAL 657 N 0.00 1.08 -0.41 5.18 2.07 -1.83 -2.76 116.25 119.58 2wb1 h VAL 657 Ca 0.00 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.91 2wb1 h VAL 657 Cb 0.00 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2wb1 h VAL 657 CO 0.00 0.13 -0.29 0.11 0.02 0.00 0.00 177.57 177.55 2wb1 h LYS 658 N 0.00 0.88 0.00 1.57 1.57 -1.65 -3.12 116.57 115.82 2wb1 h LYS 658 Ca -0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2wb1 h LYS 658 Cb 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wb1 h LYS 658 CO 0.02 1.05 0.00 1.63 -0.57 0.00 0.00 179.45 181.58 2wb1 n LYS 659 N -4.09 0.36 -0.02 3.15 5.02 -1.04 -0.91 118.16 120.64 2wb1 n LYS 659 Ca -0.01 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2wb1 n LYS 659 Cb 0.48 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 2wb1 n LYS 659 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wb1 h GLU 660 N 0.00 0.18 -0.10 1.97 5.08 -1.64 -3.23 114.58 116.84 2wb1 h GLU 660 Ca 0.00 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2wb1 h GLU 660 Cb 0.02 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2wb1 h GLU 660 CO 0.00 1.14 0.04 0.82 -1.00 0.00 0.00 179.01 180.01 2wb1 h ILE 661 N -0.48 0.98 0.00 3.13 1.08 -1.31 -0.70 117.51 120.22 2wb1 h ILE 661 Ca -0.30 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 2wb1 h ILE 661 Cb 1.62 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 2wb1 h ILE 661 CO 0.00 0.02 0.00 -1.22 -0.69 0.00 0.00 178.15 176.26 2wb1 n TYR 662 N -5.06 0.00 -0.06 1.37 4.02 -0.09 0.02 117.16 117.36 2wb1 n TYR 662 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2wb1 n TYR 662 Cb 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 2wb1 n TYR 662 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2wb1 n ASN 663 N -0.07 0.38 -0.03 7.72 5.15 -0.34 -4.74 115.26 123.32 2wb1 n ASN 663 Ca 0.00 -0.68 -0.02 0.00 -0.60 0.00 0.00 54.58 53.29 2wb1 n ASN 663 Cb 0.08 0.48 -0.07 0.00 -0.53 0.00 0.00 39.78 39.74 2wb1 n ASN 663 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2wb1 n GLU 664 N -0.48 1.89 -0.05 1.20 4.07 0.10 -4.06 120.64 123.31 2wb1 n GLU 664 Ca 0.00 -0.03 -0.13 0.00 -0.06 0.00 0.00 57.16 56.94 2wb1 n GLU 664 Cb 0.02 -1.22 -0.08 0.00 -0.06 0.00 0.00 31.44 30.10 2wb1 n GLU 664 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 2wb1 h ILE 665 N 0.00 1.36 0.00 6.31 3.07 -0.94 0.18 117.51 127.49 2wb1 h ILE 665 Ca -0.16 -1.31 -0.01 0.00 1.55 0.00 0.00 64.86 64.92 2wb1 h ILE 665 Cb 1.20 1.97 -0.00 0.00 -0.27 0.00 0.00 36.82 39.72 2wb1 h ILE 665 CO 0.01 0.38 -0.07 -2.24 -1.05 0.00 0.00 178.15 175.17 2wb1 h ASP 666 N -0.12 0.00 -0.52 2.16 -0.00 -1.83 -0.52 116.42 115.58 2wb1 h ASP 666 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.93 2wb1 h ASP 666 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.97 2wb1 h ASP 666 CO 0.03 0.07 -0.13 -0.09 -0.00 0.00 0.00 179.24 179.12 2wb1 h ARG 667 N 0.00 1.02 0.00 4.15 2.43 -1.69 -2.42 114.38 117.87 2wb1 h ARG 667 Ca -0.00 -0.39 -0.10 0.00 -0.81 0.00 0.00 59.98 58.69 2wb1 h ARG 667 Cb 0.99 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2wb1 h ARG 667 CO 0.01 1.07 -0.46 0.00 -1.51 0.00 0.00 179.97 179.09 2wb1 h ALA 668 N 0.94 1.17 -0.21 2.80 0.00 -0.36 -3.20 119.26 120.41 2wb1 h ALA 668 Ca 0.14 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2wb1 h ALA 668 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wb1 h ALA 668 CO 0.05 0.57 -0.07 0.87 0.00 0.00 0.00 179.25 180.67 2wb1 h LYS 669 N 0.00 0.42 0.00 0.00 1.57 -0.82 -2.89 116.57 114.85 2wb1 h LYS 669 Ca -0.00 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2wb1 h LYS 669 Cb 0.85 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2wb1 h LYS 669 CO 0.06 0.68 -0.16 -0.39 -0.57 0.00 0.00 179.45 179.08 2wb1 h VAL 670 N 0.13 0.94 0.00 0.50 -1.51 -1.50 0.26 116.25 115.06 2wb1 h VAL 670 Ca 0.05 -0.57 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 2wb1 h VAL 670 Cb 0.54 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2wb1 h VAL 670 CO 0.03 0.15 -0.14 -0.08 -1.23 0.00 0.00 177.57 176.30 2wb1 h GLU 671 N 0.00 0.00 0.07 5.19 4.81 -1.50 -2.55 114.58 120.60 2wb1 h GLU 671 Ca -0.00 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.87 2wb1 h GLU 671 Cb 0.31 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2wb1 h GLU 671 CO 0.02 0.14 -2.08 0.28 -0.73 0.00 0.00 179.01 176.65 2wb1 n VAL 672 N -3.40 1.66 0.53 0.32 0.31 -0.59 -4.17 118.33 112.99 2wb1 n VAL 672 Ca -0.01 -0.68 -0.21 0.00 -0.01 0.00 0.00 64.34 63.44 2wb1 n VAL 672 Cb 0.33 -1.44 -0.10 0.00 -0.91 0.00 0.00 33.84 31.72 2wb1 n VAL 672 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wb1 h ASP 673 N 0.04 -1.15 0.09 4.52 3.32 -0.30 0.12 116.42 123.06 2wb1 h ASP 673 Ca -0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2wb1 h ASP 673 Cb 2.02 0.30 0.00 0.00 0.22 0.00 0.00 39.33 41.87 2wb1 h ASP 673 CO 0.04 -0.82 0.00 -0.46 -1.72 0.00 0.00 179.24 176.29 2wb1 n ASN 674 N -5.64 0.00 0.01 6.45 0.23 -0.98 -0.62 115.26 114.70 2wb1 n ASN 674 Ca -0.17 -0.40 -0.04 0.00 -0.53 0.00 0.00 54.58 53.45 2wb1 n ASN 674 Cb 0.53 -0.08 -0.11 0.00 -2.08 0.00 0.00 39.78 38.04 2wb1 n ASN 674 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2wb1 n LEU 675 N -1.08 0.83 0.04 -4.53 0.00 -0.80 -3.39 117.00 108.08 2wb1 n LEU 675 Ca 0.12 0.38 -0.13 0.00 0.00 0.00 0.00 56.01 56.38 2wb1 n LEU 675 Cb 0.08 0.13 -0.09 0.00 0.00 0.00 0.00 43.42 43.54 2wb1 n LEU 675 CO 0.11 0.25 0.65 0.40 0.00 0.00 0.00 177.39 178.81 2wb1 h ILE 676 N 0.00 1.12 0.00 1.96 1.08 0.16 -3.14 117.51 118.69 2wb1 h ILE 676 Ca -0.22 -0.78 -0.04 0.00 -0.39 0.00 0.00 64.86 63.43 2wb1 h ILE 676 Cb 1.78 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 2wb1 h ILE 676 CO 0.06 0.19 -0.17 1.56 -0.69 0.00 0.00 178.15 179.10 2wb1 h GLN 677 N -0.47 0.00 -0.06 2.37 4.20 -1.69 -2.57 115.11 116.90 2wb1 h GLN 677 Ca -0.01 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.74 2wb1 h GLN 677 Cb 0.40 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 2wb1 h GLN 677 CO 0.02 0.17 -0.28 0.87 -0.67 0.00 0.00 178.83 178.94 2wb1 h LYS 678 N 0.00 -0.38 -0.87 1.46 1.57 -1.56 -0.89 116.57 115.91 2wb1 h LYS 678 Ca -0.00 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2wb1 h LYS 678 Cb 0.58 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 2wb1 h LYS 678 CO 0.02 -0.25 0.57 -0.92 -0.57 0.00 0.00 179.45 178.31 2wb1 h TYR 679 N -0.39 1.08 0.00 -1.35 3.20 -1.45 -2.45 116.97 115.62 2wb1 h TYR 679 Ca 0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2wb1 h TYR 679 Cb 0.51 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2wb1 h TYR 679 CO -0.34 0.67 -0.04 0.87 -1.64 0.00 0.00 178.16 177.68 2wb1 h LYS 680 N 1.16 0.00 0.00 1.82 1.57 -0.97 -3.44 116.57 116.71 2wb1 h LYS 680 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2wb1 h LYS 680 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2wb1 h LYS 680 CO -0.07 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 178.94 2wb1 n ASN 681 N -3.34 0.00 -0.00 0.86 3.02 -0.41 -5.04 115.26 110.35 2wb1 n ASN 681 Ca -0.02 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.60 2wb1 n ASN 681 Cb 0.18 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2wb1 n ASN 681 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wb1 n GLY 682 N 5.00 -0.47 1.05 7.41 0.00 -1.26 -4.45 105.19 112.46 2wb1 n GLY 682 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2wb1 n GLY 682 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wb1 n GLU 683 N -1.49 0.63 -0.32 1.61 0.28 -1.25 -4.64 120.64 115.45 2wb1 n GLU 683 Ca 0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.13 2wb1 n GLU 683 Cb 0.27 -1.18 0.23 0.00 1.43 0.00 0.00 31.44 32.18 2wb1 n GLU 683 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2wb1 n LEU 684 N 0.75 -0.17 -2.60 -1.84 4.77 -1.15 -4.61 117.00 112.15 2wb1 n LEU 684 Ca 0.00 1.57 -0.06 0.00 -0.03 0.00 0.00 56.01 57.48 2wb1 n LEU 684 Cb 0.32 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 2wb1 n LEU 684 CO 0.00 -1.56 0.05 -0.62 -1.33 0.00 0.00 177.39 173.93 2wb1 n GLU 685 N -5.40 -1.90 -3.23 3.23 1.02 -1.26 -4.30 120.64 108.81 2wb1 n GLU 685 Ca 0.20 1.80 -0.39 0.00 -0.02 0.00 0.00 57.16 58.75 2wb1 n GLU 685 Cb 0.63 -4.89 -0.06 0.00 -0.02 0.00 0.00 31.44 27.11 2wb1 n GLU 685 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wb1 s PRO 686 N -2.33 4.34 -0.25 3.49 0.04 -1.26 -4.86 135.00 134.17 2wb1 s PRO 686 Ca 0.19 0.62 -0.11 0.00 0.04 0.00 0.00 61.00 61.74 2wb1 s PRO 686 Cb -0.05 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 2wb1 s PRO 686 CO 0.62 0.20 0.21 0.42 0.04 0.00 0.00 177.00 178.49 2wb1 s ILE 687 N 0.41 5.31 -1.66 0.56 1.01 -1.26 -4.98 121.20 120.60 2wb1 s ILE 687 Ca 0.30 0.25 0.22 0.00 0.00 0.00 0.00 60.65 61.42 2wb1 s ILE 687 Cb -0.17 -3.55 0.49 0.00 0.01 0.00 0.00 42.46 39.25 2wb1 s ILE 687 CO 0.14 0.29 1.72 -0.81 0.00 0.00 0.00 174.94 176.28 2wb1 n PRO 688 N 4.66 0.47 -0.28 2.79 -0.04 -1.26 -3.63 135.00 137.71 2wb1 n PRO 688 Ca -0.14 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2wb1 n PRO 688 Cb 0.52 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 2wb1 n PRO 688 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wb1 h GLY 689 N 3.60 1.15 0.00 0.55 0.00 -2.04 -3.46 103.07 102.87 2wb1 h GLY 689 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2wb1 h GLY 689 CO 0.00 0.30 0.00 -2.13 0.00 0.00 0.00 176.54 174.71 2wb1 n ARG 690 N -4.62 0.00 -3.21 4.80 3.00 -1.24 -5.17 116.66 110.22 2wb1 n ARG 690 Ca 0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.69 2wb1 n ARG 690 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.56 2wb1 n ARG 690 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2wb1 s THR 691 N 2.43 5.05 0.20 5.15 2.01 -1.26 -5.00 115.64 124.22 2wb1 s THR 691 Ca 0.00 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2wb1 s THR 691 Cb 0.00 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.57 2wb1 s THR 691 CO 0.00 -0.57 1.46 -0.07 -0.69 0.00 0.00 174.62 174.75 2wb1 h LEU 692 N 0.85 0.11 -0.27 4.42 4.07 -2.00 -2.63 115.31 119.87 2wb1 h LEU 692 Ca -0.49 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2wb1 h LEU 692 Cb 1.21 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.92 2wb1 h LEU 692 CO 0.62 0.84 -0.08 -0.62 -1.08 0.00 0.00 178.44 178.13 2wb1 n GLU 693 N -3.67 0.83 0.00 1.13 1.02 -1.26 -3.93 120.64 114.76 2wb1 n GLU 693 Ca -0.02 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 2wb1 n GLU 693 Cb 0.74 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 2wb1 n GLU 693 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2wb1 n GLU 694 N -0.85 2.89 0.18 3.49 2.13 -1.23 -4.34 120.64 122.93 2wb1 n GLU 694 Ca 0.16 0.00 0.03 0.00 0.66 0.00 0.00 57.16 58.01 2wb1 n GLU 694 Cb 0.26 -0.74 0.34 0.00 0.27 0.00 0.00 31.44 31.57 2wb1 n GLU 694 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2wb1 h SER 695 N 0.00 0.00 -0.67 4.31 4.64 -1.59 -2.22 113.55 118.03 2wb1 h SER 695 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2wb1 h SER 695 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2wb1 h SER 695 CO 0.00 0.40 0.39 0.25 -0.87 0.00 0.00 176.83 177.00 2wb1 h LEU 696 N 0.00 0.59 0.31 5.97 7.12 -1.76 -2.16 115.31 125.38 2wb1 h LEU 696 Ca -0.00 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.01 2wb1 h LEU 696 Cb 0.74 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2wb1 h LEU 696 CO 0.05 0.39 -0.15 -0.33 -0.13 0.00 0.00 178.44 178.28 2wb1 h GLU 697 N 0.73 -0.40 -0.87 1.25 4.39 -1.64 -2.84 114.58 115.20 2wb1 h GLU 697 Ca 0.29 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.18 2wb1 h GLU 697 Cb 0.13 0.09 -0.10 0.00 -0.10 0.00 0.00 28.75 28.78 2wb1 h GLU 697 CO -0.16 -0.10 0.44 -0.97 -1.16 0.00 0.00 179.01 177.06 2wb1 h ASN 698 N -0.69 0.52 -0.87 1.42 -1.24 -1.38 0.82 115.58 114.16 2wb1 h ASN 698 Ca -0.04 0.10 0.07 0.00 0.71 0.00 0.00 56.30 57.14 2wb1 h ASN 698 Cb 0.48 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 39.48 2wb1 h ASN 698 CO 0.07 0.19 0.53 1.88 -1.29 0.00 0.00 177.43 178.82 2wb1 h TYR 699 N 0.60 0.98 0.00 0.67 0.99 -1.34 0.64 116.97 119.51 2wb1 h TYR 699 Ca 0.48 0.03 -0.12 0.00 2.00 0.00 0.00 58.73 61.12 2wb1 h TYR 699 Cb 0.73 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.13 2wb1 h TYR 699 CO -0.09 0.47 -0.59 0.82 -0.00 0.00 0.00 178.16 178.76 2wb1 h ILE 700 N 0.94 1.24 0.05 -2.88 2.04 -0.83 -2.04 117.51 116.03 2wb1 h ILE 700 Ca 0.39 -2.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 2wb1 h ILE 700 Cb 0.24 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 2wb1 h ILE 700 CO -0.20 0.58 -0.02 -0.07 0.00 0.00 0.00 178.15 178.44 2wb1 h LEU 701 N 0.00 -0.05 0.33 1.44 3.38 0.10 -2.46 115.31 118.05 2wb1 h LEU 701 Ca -0.01 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wb1 h LEU 701 Cb 1.19 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2wb1 h LEU 701 CO 0.08 0.44 -0.38 -0.78 0.09 0.00 0.00 178.44 177.89 2wb1 h ASP 702 N -0.56 -1.03 -0.75 -0.43 -0.00 -0.95 0.84 116.42 113.54 2wb1 h ASP 702 Ca -0.01 0.09 0.17 0.00 -0.00 0.00 0.00 57.03 57.28 2wb1 h ASP 702 Cb 0.50 0.35 -0.13 0.00 -0.00 0.00 0.00 39.33 40.06 2wb1 h ASP 702 CO 0.01 -0.51 -0.04 0.74 -0.00 0.00 0.00 179.24 179.44 2wb1 h THR 703 N -0.75 0.32 -0.11 2.25 2.02 -1.45 0.31 112.91 115.51 2wb1 h THR 703 Ca -0.02 -0.03 -0.22 0.00 0.77 0.00 0.00 66.41 66.92 2wb1 h THR 703 Cb 0.68 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2wb1 h THR 703 CO -0.09 0.01 -0.78 -0.07 0.37 0.00 0.00 175.52 174.96 2wb1 h LEU 704 N 0.07 0.87 -0.53 2.58 3.38 -1.14 -0.81 115.31 119.73 2wb1 h LEU 704 Ca 0.40 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2wb1 h LEU 704 Cb 0.68 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2wb1 h LEU 704 CO -0.69 1.40 0.33 -0.78 0.09 0.00 0.00 178.44 178.79 2wb1 h ASP 705 N 0.41 0.55 0.01 -0.43 -0.00 -0.10 -2.28 116.42 114.57 2wb1 h ASP 705 Ca -0.07 -0.00 0.02 0.00 -0.00 0.00 0.00 57.03 56.97 2wb1 h ASP 705 Cb 1.43 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 40.61 2wb1 h ASP 705 CO 0.16 0.39 -0.09 0.11 -0.00 0.00 0.00 179.24 179.81 2wb1 h LYS 706 N 0.66 -0.16 -1.50 0.28 1.79 -0.36 -3.02 116.57 114.26 2wb1 h LYS 706 Ca 0.21 0.01 -0.42 0.00 -2.18 0.00 0.00 60.65 58.26 2wb1 h LYS 706 Cb -0.02 0.04 -0.17 0.00 -1.58 0.00 0.00 32.23 30.49 2wb1 h LYS 706 CO -0.07 -0.11 0.51 1.28 -1.08 0.00 0.00 179.45 179.98 2wb1 n LEU 707 N -5.22 6.73 0.00 2.94 4.77 -0.32 -2.93 117.00 122.97 2wb1 n LEU 707 Ca -0.06 -3.63 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 2wb1 n LEU 707 Cb 0.14 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2wb1 n LEU 707 CO 0.29 1.36 -0.26 -2.11 -1.33 0.00 0.00 177.39 175.33 2wb1 n ARG 708 N 0.17 0.47 0.02 3.23 -4.01 -0.88 -4.73 116.66 110.93 2wb1 n ARG 708 Ca 0.39 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 57.18 2wb1 n ARG 708 Cb 0.58 -0.76 0.24 0.00 -3.04 0.00 0.00 32.46 29.49 2wb1 n ARG 708 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 2wb1 h SER 709 N 0.00 0.46 -0.88 2.89 4.64 -1.50 -1.11 113.55 118.05 2wb1 h SER 709 Ca 0.00 -0.13 0.13 0.00 -0.47 0.00 0.00 61.79 61.32 2wb1 h SER 709 Cb 0.52 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.42 2wb1 h SER 709 CO 0.00 0.65 0.57 0.74 -0.87 0.00 0.00 176.83 177.92 2wb1 h THR 710 N 0.42 0.88 -0.14 2.95 2.02 -1.82 0.50 112.91 117.72 2wb1 h THR 710 Ca 0.07 -0.25 -0.21 0.00 0.77 0.00 0.00 66.41 66.79 2wb1 h THR 710 Cb 0.55 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2wb1 h THR 710 CO 0.04 0.13 -0.77 0.00 0.37 0.00 0.00 175.52 175.30 2wb1 h ALA 711 N 1.59 0.38 -0.46 6.16 0.00 -1.54 -2.49 119.26 122.92 2wb1 h ALA 711 Ca 0.43 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2wb1 h ALA 711 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2wb1 h ALA 711 CO -0.19 0.70 0.25 0.78 0.00 0.00 0.00 179.25 180.79 2wb1 h GLY 712 N 0.74 0.64 0.20 0.00 0.00 -0.21 -2.73 103.07 101.71 2wb1 h GLY 712 Ca -0.05 -0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.19 2wb1 h GLY 712 CO 0.15 0.14 -0.06 -0.55 0.00 0.00 0.00 176.54 176.22 2wb1 h ASP 713 N 0.50 -0.31 0.58 0.19 5.19 0.14 -1.68 116.42 121.04 2wb1 h ASP 713 Ca 0.19 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 2wb1 h ASP 713 Cb 0.06 0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.80 2wb1 h ASP 713 CO -0.11 -0.11 -0.28 0.40 -3.12 0.00 0.00 179.24 176.02 2wb1 h ILE 714 N 0.04 0.42 0.00 0.35 2.04 -1.40 -2.73 117.51 116.24 2wb1 h ILE 714 Ca 0.21 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.05 2wb1 h ILE 714 Cb 0.32 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2wb1 h ILE 714 CO -0.41 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.75 2wb1 n ALA 715 N -2.44 1.62 0.68 1.87 0.00 -0.96 -0.63 120.51 120.65 2wb1 n ALA 715 Ca -0.13 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.36 2wb1 n ALA 715 Cb 0.32 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 2wb1 n ALA 715 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wb1 n SER 716 N -1.17 0.83 0.00 0.00 7.64 -0.67 -3.83 113.62 116.42 2wb1 n SER 716 Ca 0.04 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2wb1 n SER 716 Cb 0.04 1.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 2wb1 n SER 716 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wb1 n LYS 717 N -1.56 3.83 -0.09 1.43 4.01 -0.82 -4.56 118.16 120.39 2wb1 n LYS 717 Ca 0.02 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.83 2wb1 n LYS 717 Cb 0.32 -1.00 0.04 0.00 -0.51 0.00 0.00 35.03 33.89 2wb1 n LYS 717 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2wb1 n TYR 718 N -2.01 0.20 -3.77 2.13 4.02 0.19 -4.76 117.16 113.16 2wb1 n TYR 718 Ca 0.00 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.90 57.69 2wb1 n TYR 718 Cb 0.50 -0.10 -0.11 0.00 -0.02 0.00 0.00 39.34 39.60 2wb1 n TYR 718 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2wb1 s LEU 719 N -0.53 0.81 -0.52 7.72 0.20 -1.25 -4.93 118.68 120.19 2wb1 s LEU 719 Ca 0.06 0.62 -0.38 0.00 0.69 0.00 0.00 54.13 55.12 2wb1 s LEU 719 Cb 0.04 1.05 -0.16 0.00 -0.43 0.00 0.00 46.19 46.69 2wb1 s LEU 719 CO 0.02 -0.11 2.26 -0.67 -0.29 0.00 0.00 176.35 177.57 2wb1 n ASP 720 N 2.96 1.30 0.00 3.68 -0.08 -1.26 -4.72 116.55 118.43 2wb1 n ASP 720 Ca -0.13 0.43 0.01 0.00 -1.51 0.00 0.00 54.79 53.59 2wb1 n ASP 720 Cb 0.58 -1.08 0.04 0.00 2.34 0.00 0.00 41.12 43.00 2wb1 n ASP 720 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2wb1 n PRO 721 N 8.01 0.03 0.00 -0.67 -0.02 -1.26 -2.87 135.00 138.21 2wb1 n PRO 721 Ca 0.50 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2wb1 n PRO 721 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2wb1 n PRO 721 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wb1 n PHE 722 N -1.26 0.00 -1.23 6.00 3.01 -1.26 -4.59 117.46 118.13 2wb1 n PHE 722 Ca 0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.18 2wb1 n PHE 722 Cb 0.01 0.00 0.16 0.00 -0.01 0.00 0.00 39.48 39.64 2wb1 n PHE 722 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wb1 s ASN 723 N -0.20 2.96 0.09 4.37 4.22 -1.14 -4.71 114.94 120.53 2wb1 s ASN 723 Ca 0.00 1.23 -0.23 0.00 -2.14 0.00 0.00 52.86 51.72 2wb1 s ASN 723 Cb 0.00 -1.89 -0.15 0.00 1.28 0.00 0.00 41.25 40.49 2wb1 s ASN 723 CO 0.00 -2.93 1.73 -0.26 -2.04 0.00 0.00 177.10 173.60 2wb1 h PHE 724 N -1.75 -0.00 -0.14 1.54 -1.00 -1.92 0.11 116.94 113.77 2wb1 h PHE 724 Ca -0.53 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.18 2wb1 h PHE 724 Cb 1.32 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.87 2wb1 h PHE 724 CO 0.33 0.01 -0.23 0.00 -1.61 0.00 0.00 178.31 176.80 2wb1 h ALA 725 N 0.98 1.35 0.00 2.45 0.00 -1.92 0.17 119.26 122.29 2wb1 h ALA 725 Ca -0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 2wb1 h ALA 725 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wb1 h ALA 725 CO 0.00 0.45 -0.98 -0.92 0.00 0.00 0.00 179.25 177.80 2wb1 h TYR 726 N 0.23 0.00 -0.10 0.00 5.03 -1.79 -2.93 116.97 117.41 2wb1 h TYR 726 Ca 0.04 0.00 -0.20 0.00 2.58 0.00 0.00 58.73 61.15 2wb1 h TYR 726 Cb 0.54 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.82 2wb1 h TYR 726 CO 0.01 0.97 -0.77 0.28 -1.32 0.00 0.00 178.16 177.33 2wb1 h VAL 727 N 0.00 1.34 -0.38 1.81 2.07 -0.35 -3.15 116.25 117.59 2wb1 h VAL 727 Ca -0.01 -2.10 0.08 0.00 0.82 0.00 0.00 66.70 65.49 2wb1 h VAL 727 Cb 1.75 2.09 -0.09 0.00 -1.52 0.00 0.00 31.29 33.52 2wb1 h VAL 727 CO 0.13 0.64 -0.31 -0.03 0.02 0.00 0.00 177.57 178.02 2wb1 h MET 728 N 0.37 -0.24 -6.92 1.57 4.05 -0.63 -3.17 114.93 109.96 2wb1 h MET 728 Ca -0.04 0.02 -0.52 0.00 -0.28 0.00 0.00 59.70 58.88 2wb1 h MET 728 Cb 1.37 0.05 0.06 0.00 -0.80 0.00 0.00 31.60 32.28 2wb1 h MET 728 CO 0.14 -0.16 0.57 0.00 0.23 0.00 0.00 176.91 177.69 2wb1 s ALA 729 N -6.01 3.29 0.00 0.39 0.00 -1.11 -3.25 121.76 115.07 2wb1 s ALA 729 Ca -0.15 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2wb1 s ALA 729 Cb 0.13 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2wb1 s ALA 729 CO 0.68 -0.62 0.00 0.54 0.00 0.00 0.00 175.76 176.36 2wb1 n ARG 730 N 0.37 0.00 -3.73 0.00 1.74 -1.26 -4.83 116.66 108.95 2wb1 n ARG 730 Ca 0.03 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.74 2wb1 n ARG 730 Cb 0.44 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.78 2wb1 n ARG 730 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2wb1 s THR 731 N -0.93 3.59 0.00 0.55 -4.23 -1.20 -2.97 115.64 110.46 2wb1 s THR 731 Ca 0.00 -2.52 0.00 0.00 -1.18 0.00 0.00 61.69 57.99 2wb1 s THR 731 Cb 0.00 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2wb1 s THR 731 CO 0.00 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 2wb1 n GLY 732 N 4.02 0.00 0.00 3.99 0.00 -1.26 -4.68 105.19 107.26 2wb1 n GLY 732 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wb1 n GLY 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wb1 n ALA 733 N 0.01 0.00 0.00 4.61 0.00 -1.26 -3.74 120.51 120.14 2wb1 n ALA 733 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wb1 n ALA 733 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wb1 n ALA 733 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wb1 n ARG 734 N 0.00 0.00 -0.03 0.00 1.74 -1.26 -4.16 116.66 112.95 2wb1 n ARG 734 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2wb1 n ARG 734 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2wb1 n ARG 734 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 735 N 0.00 -0.32 2.38 -0.13 0.00 -1.25 -4.79 105.19 101.09 2wb1 n GLY 735 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2wb1 n GLY 735 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wb1 n SER 736 N -3.68 -5.64 0.00 1.61 2.88 -1.26 -4.72 113.62 102.81 2wb1 n SER 736 Ca -0.06 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2wb1 n SER 736 Cb 0.23 -4.68 0.00 0.00 -0.75 0.00 0.00 64.21 59.01 2wb1 n SER 736 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2wb1 n VAL 737 N -3.97 0.00 1.27 2.46 0.24 -1.26 -1.43 118.33 115.63 2wb1 n VAL 737 Ca -0.23 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.09 2wb1 n VAL 737 Cb 0.68 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 33.19 2wb1 n VAL 737 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wb1 n LEU 738 N 0.00 0.00 -0.58 1.34 7.99 -1.26 0.82 117.00 125.31 2wb1 n LEU 738 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.12 2wb1 n LEU 738 Cb 0.00 0.00 0.17 0.00 -0.11 0.00 0.00 43.42 43.48 2wb1 n LEU 738 CO 0.00 0.00 0.54 -0.46 -1.51 0.00 0.00 177.39 175.96 2wb1 n ASN 739 N -0.62 2.04 -0.03 -1.43 6.94 -0.51 -3.55 115.26 118.10 2wb1 n ASN 739 Ca 0.04 -1.54 -0.14 0.00 -0.02 0.00 0.00 54.58 52.92 2wb1 n ASN 739 Cb 0.02 0.21 -0.02 0.00 -2.36 0.00 0.00 39.78 37.62 2wb1 n ASN 739 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wb1 h ILE 740 N 2.84 1.30 -0.33 1.53 1.08 0.19 -3.10 117.51 121.03 2wb1 h ILE 740 Ca 0.00 -1.87 0.07 0.00 -0.39 0.00 0.00 64.86 62.67 2wb1 h ILE 740 Cb 0.74 1.82 -0.06 0.00 -3.07 0.00 0.00 36.82 36.25 2wb1 h ILE 740 CO 0.00 0.59 -0.09 0.74 -0.69 0.00 0.00 178.15 178.70 2wb1 h THR 741 N 0.54 0.66 -0.68 -0.27 2.02 -1.63 0.41 112.91 113.96 2wb1 h THR 741 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 2wb1 h THR 741 Cb 1.24 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 68.23 2wb1 h THR 741 CO 0.13 0.00 0.29 1.56 0.37 0.00 0.00 175.52 177.88 2wb1 h GLN 742 N -0.01 0.48 -0.22 6.66 4.20 -1.60 -0.40 115.11 124.22 2wb1 h GLN 742 Ca 0.16 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.68 2wb1 h GLN 742 Cb 0.25 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2wb1 h GLN 742 CO -0.34 0.32 -0.52 0.52 -0.67 0.00 0.00 178.83 178.13 2wb1 h MET 743 N 0.50 0.62 0.00 1.46 2.86 -1.20 -2.65 114.93 116.52 2wb1 h MET 743 Ca 0.34 -0.38 -0.15 0.00 -2.06 0.00 0.00 59.70 57.45 2wb1 h MET 743 Cb 0.42 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2wb1 h MET 743 CO -0.31 0.99 -1.30 0.00 1.06 0.00 0.00 176.91 177.36 2wb1 n ALA 744 N -2.53 0.83 -0.10 6.32 0.00 0.13 -2.50 120.51 122.67 2wb1 n ALA 744 Ca -0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 53.44 52.51 2wb1 n ALA 744 Cb 0.60 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 2wb1 n ALA 744 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 n ALA 745 N -4.01 1.27 -3.56 0.00 0.00 -0.20 -4.75 120.51 109.25 2wb1 n ALA 745 Ca -0.25 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.26 2wb1 n ALA 745 Cb 0.57 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 2wb1 n ALA 745 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wb1 s MET 746 N -2.63 1.00 -0.04 0.00 0.00 -0.97 -3.88 119.30 112.78 2wb1 s MET 746 Ca -0.30 -0.43 0.14 0.00 0.00 0.00 0.00 55.69 55.10 2wb1 s MET 746 Cb 0.08 0.42 -0.22 0.00 0.00 0.00 0.00 34.83 35.12 2wb1 s MET 746 CO 0.41 -0.44 0.64 1.28 0.00 0.00 0.00 175.02 176.90 2wb1 n LEU 747 N -0.32 0.80 -0.10 0.18 4.77 -1.02 -3.28 117.00 118.02 2wb1 n LEU 747 Ca -0.09 0.38 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 2wb1 n LEU 747 Cb 0.62 0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2wb1 n LEU 747 CO 0.12 0.36 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 2wb1 n GLY 748 N 1.54 -1.55 3.58 -0.72 0.00 -0.71 -4.78 105.19 102.56 2wb1 n GLY 748 Ca -0.17 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2wb1 n GLY 748 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wb1 s GLN 749 N -1.44 2.91 0.24 1.61 2.00 -1.26 -2.91 119.66 120.80 2wb1 s GLN 749 Ca 0.00 1.54 -0.30 0.00 -2.00 0.00 0.00 55.36 54.61 2wb1 s GLN 749 Cb 0.00 -4.37 -0.09 0.00 0.80 0.00 0.00 33.01 29.35 2wb1 s GLN 749 CO 0.00 -2.36 1.24 -0.65 -0.50 0.00 0.00 175.29 173.02 2wb1 s GLN 750 N 6.64 4.45 -0.12 1.67 -1.52 -1.10 -4.93 119.66 124.76 2wb1 s GLN 750 Ca 0.90 2.00 -0.14 0.00 -1.95 0.00 0.00 55.36 56.16 2wb1 s GLN 750 Cb -0.24 -3.18 0.03 0.00 -0.22 0.00 0.00 33.01 29.40 2wb1 s GLN 750 CO 0.31 -0.11 0.37 -1.54 -0.25 0.00 0.00 175.29 174.06 2wb1 s SER 751 N -0.09 -0.36 0.02 5.90 1.04 -1.26 -4.17 113.70 114.78 2wb1 s SER 751 Ca 0.52 0.63 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 2wb1 s SER 751 Cb -0.35 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 2wb1 s SER 751 CO 0.41 -0.20 0.33 0.68 0.98 0.00 0.00 173.24 175.44 2wb1 s VAL 752 N -0.11 5.19 0.00 5.02 -7.23 -1.12 -4.68 120.40 117.48 2wb1 s VAL 752 Ca -0.03 0.40 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 2wb1 s VAL 752 Cb -0.03 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.30 2wb1 s VAL 752 CO 0.01 0.40 0.00 0.54 -0.31 0.00 0.00 175.10 175.75 2wb1 n ARG 753 N 1.25 -0.81 0.00 4.82 1.74 -1.26 -1.86 116.66 120.54 2wb1 n ARG 753 Ca -0.11 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.59 2wb1 n ARG 753 Cb 0.53 0.67 0.00 0.00 -1.02 0.00 0.00 32.46 32.63 2wb1 n ARG 753 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 754 N -0.72 2.93 3.96 -0.13 0.00 -1.26 -5.02 105.19 104.94 2wb1 n GLY 754 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 2wb1 n GLY 754 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 755 N 0.00 3.46 1.10 1.61 2.02 -0.78 -5.05 118.70 121.07 2wb1 s GLU 755 Ca 0.00 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 2wb1 s GLU 755 Cb 0.00 -2.79 0.17 0.00 0.10 0.00 0.00 34.13 31.61 2wb1 s GLU 755 CO 0.00 0.31 0.53 0.54 0.02 0.00 0.00 175.26 176.67 2wb1 n ARG 756 N -1.52 -1.67 -2.39 1.61 1.74 -1.26 -2.78 116.66 110.40 2wb1 n ARG 756 Ca -0.07 -0.46 -0.43 0.00 -0.77 0.00 0.00 57.85 56.13 2wb1 n ARG 756 Cb 0.56 -1.95 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 2wb1 n ARG 756 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wb1 s ILE 757 N -2.35 3.92 0.00 0.55 1.01 -0.32 -4.63 121.20 119.38 2wb1 s ILE 757 Ca 0.62 0.93 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2wb1 s ILE 757 Cb -0.19 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.00 2wb1 s ILE 757 CO 0.65 -0.84 0.00 0.29 0.00 0.00 0.00 174.94 175.04 2wb1 n LYS 758 N 8.13 1.16 -1.52 2.79 5.02 -1.26 -4.50 118.16 127.98 2wb1 n LYS 758 Ca 0.15 0.00 -0.47 0.00 -2.02 0.00 0.00 58.31 55.97 2wb1 n LYS 758 Cb 0.48 -0.99 -0.05 0.00 -0.02 0.00 0.00 35.03 34.45 2wb1 n LYS 758 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wb1 n ARG 759 N -2.32 1.49 0.00 1.97 1.74 -1.26 -4.18 116.66 114.11 2wb1 n ARG 759 Ca 0.00 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2wb1 n ARG 759 Cb 0.49 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.12 2wb1 n ARG 759 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wb1 n GLY 760 N 6.15 -0.81 3.63 -0.13 0.00 -1.26 -4.89 105.19 107.88 2wb1 n GLY 760 Ca 0.36 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2wb1 n GLY 760 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wb1 n TYR 761 N 1.37 0.91 0.19 1.61 4.01 -1.11 -4.85 117.16 119.30 2wb1 n TYR 761 Ca 0.00 0.41 0.18 0.00 -0.16 0.00 0.00 57.90 58.33 2wb1 n TYR 761 Cb 0.00 -2.12 0.80 0.00 -0.31 0.00 0.00 39.34 37.71 2wb1 n TYR 761 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 2wb1 h MET 762 N -0.01 0.00 0.00 -0.72 2.86 -1.95 -3.17 114.93 111.94 2wb1 h MET 762 Ca -0.48 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 56.88 2wb1 h MET 762 Cb 1.34 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.96 2wb1 h MET 762 CO 0.49 0.00 -1.93 2.41 1.06 0.00 0.00 176.91 178.94 2wb1 n THR 763 N -3.50 0.92 -4.23 2.22 -1.04 -1.26 -5.03 114.28 102.35 2wb1 n THR 763 Ca 0.03 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.05 61.66 2wb1 n THR 763 Cb 0.47 -1.64 -0.10 0.00 -1.82 0.00 0.00 70.33 67.25 2wb1 n THR 763 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wb1 s ARG 764 N -2.31 1.01 0.01 -2.82 3.00 -1.20 -3.58 118.95 113.06 2wb1 s ARG 764 Ca -0.23 -1.43 -0.05 0.00 0.00 0.00 0.00 55.73 54.02 2wb1 s ARG 764 Cb 0.09 -0.50 -0.03 0.00 0.00 0.00 0.00 34.95 34.51 2wb1 s ARG 764 CO 0.30 0.04 0.97 1.15 0.00 0.00 0.00 175.30 177.76 2wb1 h THR 765 N 2.82 0.00 -2.21 0.02 2.02 -1.77 -2.93 112.91 110.86 2wb1 h THR 765 Ca -0.36 -0.02 -0.45 0.00 0.77 0.00 0.00 66.41 66.35 2wb1 h THR 765 Cb 1.18 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2wb1 h THR 765 CO 0.64 0.00 -0.30 -0.76 0.37 0.00 0.00 175.52 175.47 2wb1 s LEU 766 N -4.90 4.02 0.00 2.58 2.01 -1.26 -3.08 118.68 118.05 2wb1 s LEU 766 Ca -0.03 0.05 0.26 0.00 0.01 0.00 0.00 54.13 54.43 2wb1 s LEU 766 Cb 0.00 -2.93 1.49 0.00 0.01 0.00 0.00 46.19 44.76 2wb1 s LEU 766 CO 0.08 -0.36 1.91 -0.81 1.01 0.00 0.00 176.35 178.18 2wb1 n PRO 767 N -1.67 0.68 0.00 1.29 -0.04 -1.26 -3.41 135.00 130.59 2wb1 n PRO 767 Ca -0.03 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.57 2wb1 n PRO 767 Cb 0.57 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.81 2wb1 n PRO 767 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2wb1 n HIS 768 N -1.09 0.00 -4.34 0.54 8.25 -1.26 -4.88 115.22 112.44 2wb1 n HIS 768 Ca 0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.30 2wb1 n HIS 768 Cb 0.13 -0.04 -0.09 0.00 1.12 0.00 0.00 29.99 31.11 2wb1 n HIS 768 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wb1 s PHE 769 N -2.26 3.10 0.40 4.41 0.40 -1.22 -5.09 117.98 117.72 2wb1 s PHE 769 Ca 0.27 0.12 -0.27 0.00 -0.60 0.00 0.00 56.93 56.45 2wb1 s PHE 769 Cb 0.20 -1.72 -0.10 0.00 0.51 0.00 0.00 43.02 41.91 2wb1 s PHE 769 CO 0.44 0.46 1.45 0.15 0.70 0.00 0.00 175.22 178.41 2wb1 s LYS 770 N -1.27 3.97 -0.14 0.44 1.02 -1.26 -4.84 119.74 117.66 2wb1 s LYS 770 Ca 0.17 2.48 -0.34 0.00 0.02 0.00 0.00 55.97 58.30 2wb1 s LYS 770 Cb -0.11 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.23 2wb1 s LYS 770 CO 0.07 -0.61 1.95 -2.30 -0.92 0.00 0.00 175.35 173.54 2wb1 n PRO 771 N 0.24 1.99 -0.59 -1.68 -0.02 -1.26 -1.86 135.00 131.82 2wb1 n PRO 771 Ca 0.02 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2wb1 n PRO 771 Cb 0.40 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2wb1 n PRO 771 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wb1 n TYR 772 N 7.54 0.00 -2.27 6.00 4.01 -1.23 -5.02 117.16 126.19 2wb1 n TYR 772 Ca 0.26 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.60 2wb1 n TYR 772 Cb 0.30 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2wb1 n TYR 772 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2wb1 s ASP 773 N -2.55 6.78 0.00 7.72 3.68 -0.78 -4.92 116.67 126.60 2wb1 s ASP 773 Ca 0.00 2.46 0.00 0.00 2.13 0.00 0.00 52.55 57.14 2wb1 s ASP 773 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 2wb1 s ASP 773 CO 0.00 -0.51 0.09 -0.38 0.13 0.00 0.00 175.17 174.50 2wb1 n ILE 774 N 0.59 0.00 -1.89 4.11 5.41 -1.26 -4.90 119.36 121.42 2wb1 n ILE 774 Ca 0.01 -0.14 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 2wb1 n ILE 774 Cb 0.44 1.46 -0.01 0.00 -0.71 0.00 0.00 39.64 40.82 2wb1 n ILE 774 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2wb1 s SER 775 N -0.10 6.48 0.16 4.38 1.04 -1.26 -4.79 113.70 119.61 2wb1 s SER 775 Ca 0.00 2.90 -0.01 0.00 0.48 0.00 0.00 55.95 59.33 2wb1 s SER 775 Cb 0.00 -2.65 0.36 0.00 0.10 0.00 0.00 66.02 63.83 2wb1 s SER 775 CO 0.00 -0.79 0.86 -2.65 0.98 0.00 0.00 173.24 171.64 2wb1 n PRO 776 N 1.13 -0.05 -0.18 4.02 -0.02 -1.26 -0.99 135.00 137.65 2wb1 n PRO 776 Ca 0.03 0.83 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 2wb1 n PRO 776 Cb 0.39 -1.30 0.09 0.00 -0.02 0.00 0.00 33.50 32.67 2wb1 n PRO 776 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wb1 h GLU 777 N 0.00 0.32 0.00 -0.52 3.07 -1.90 -1.77 114.58 113.78 2wb1 h GLU 777 Ca 0.31 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 2wb1 h GLU 777 Cb 0.59 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2wb1 h GLU 777 CO -0.53 0.21 -0.08 0.00 -1.40 0.00 0.00 179.01 177.21 2wb1 h ALA 778 N 1.40 0.98 -0.44 3.43 0.00 -1.39 -3.26 119.26 119.99 2wb1 h ALA 778 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wb1 h ALA 778 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wb1 h ALA 778 CO -0.32 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.57 2wb1 n ARG 779 N -3.16 3.08 0.00 0.00 5.12 -0.92 -4.63 116.66 116.15 2wb1 n ARG 779 Ca 0.02 -2.48 0.00 0.00 -1.93 0.00 0.00 57.85 53.45 2wb1 n ARG 779 Cb 0.43 -1.57 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2wb1 n ARG 779 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wb1 n GLY 780 N 0.55 1.67 3.69 -0.13 0.00 -1.16 -1.18 105.19 108.63 2wb1 n GLY 780 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wb1 n GLY 780 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wb1 s PHE 781 N -1.90 2.71 -0.22 1.61 5.36 -0.71 -2.72 117.98 122.12 2wb1 s PHE 781 Ca 0.00 0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 56.55 2wb1 s PHE 781 Cb 0.00 -3.79 -0.02 0.00 -0.34 0.00 0.00 43.02 38.87 2wb1 s PHE 781 CO 0.00 -3.03 -0.02 0.42 -1.46 0.00 0.00 175.22 171.13 2wb1 s ILE 782 N 2.38 3.66 -0.20 3.12 1.01 -1.15 -4.38 121.20 125.63 2wb1 s ILE 782 Ca 0.68 -0.40 0.20 0.00 0.00 0.00 0.00 60.65 61.13 2wb1 s ILE 782 Cb -0.35 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 2wb1 s ILE 782 CO 0.29 0.42 1.04 1.88 0.00 0.00 0.00 174.94 178.56 2wb1 h TYR 783 N 7.91 0.00 -3.27 3.97 0.05 -1.94 -1.84 116.97 121.85 2wb1 h TYR 783 Ca -0.39 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 57.89 2wb1 h TYR 783 Cb 1.17 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.92 2wb1 h TYR 783 CO 0.60 0.26 -0.05 -1.54 -1.05 0.00 0.00 178.16 176.37 2wb1 s SER 784 N -5.67 6.37 0.51 3.88 1.04 -1.26 -4.42 113.70 114.14 2wb1 s SER 784 Ca -0.00 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.23 2wb1 s SER 784 Cb 0.09 -2.17 0.03 0.00 0.10 0.00 0.00 66.02 64.07 2wb1 s SER 784 CO 0.79 -0.35 0.71 -0.94 0.98 0.00 0.00 173.24 174.42 2wb1 s SER 785 N -3.63 5.36 0.13 7.02 1.04 -1.25 -2.43 113.70 119.93 2wb1 s SER 785 Ca 0.45 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 56.75 2wb1 s SER 785 Cb -0.10 -0.67 0.56 0.00 0.10 0.00 0.00 66.02 65.90 2wb1 s SER 785 CO 0.36 -1.04 1.35 0.49 0.98 0.00 0.00 173.24 175.37 2wb1 n PHE 786 N -2.17 0.31 -0.06 5.02 0.99 -1.00 -1.44 117.46 119.11 2wb1 n PHE 786 Ca 0.09 0.15 -0.18 0.00 -0.00 0.00 0.00 57.45 57.51 2wb1 n PHE 786 Cb 0.60 -0.74 -0.13 0.00 -1.00 0.00 0.00 39.48 38.20 2wb1 n PHE 786 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2wb1 h ARG 787 N 0.00 0.05 -0.57 -1.08 1.12 -1.76 -3.37 114.38 108.77 2wb1 h ARG 787 Ca 0.00 -0.09 -0.10 0.00 -1.11 0.00 0.00 59.98 58.68 2wb1 h ARG 787 Cb 0.08 0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.05 2wb1 h ARG 787 CO 0.00 1.04 -0.04 1.15 -3.11 0.00 0.00 179.97 179.02 2wb1 h THR 788 N -0.86 1.27 0.00 0.20 2.02 -1.74 -3.49 112.91 110.30 2wb1 h THR 788 Ca -0.17 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 65.83 2wb1 h THR 788 Cb 1.25 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2wb1 h THR 788 CO -0.05 0.42 0.00 0.61 0.37 0.00 0.00 175.52 176.87 2wb1 n GLY 789 N -0.36 2.31 3.78 2.16 0.00 -0.52 -4.96 105.19 107.60 2wb1 n GLY 789 Ca 0.02 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2wb1 n GLY 789 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wb1 s LEU 790 N 0.00 4.18 0.00 0.99 2.01 -1.26 -4.71 118.68 119.88 2wb1 s LEU 790 Ca 0.00 2.15 -0.22 0.00 0.01 0.00 0.00 54.13 56.07 2wb1 s LEU 790 Cb 0.00 -4.10 0.34 0.00 0.01 0.00 0.00 46.19 42.44 2wb1 s LEU 790 CO 0.00 -0.54 0.98 0.29 1.01 0.00 0.00 176.35 178.10 2wb1 n LYS 791 N 0.04 -3.95 -0.11 1.70 5.02 -1.26 -4.77 118.16 114.83 2wb1 n LYS 791 Ca 0.04 -1.61 -0.11 0.00 -2.02 0.00 0.00 58.31 54.61 2wb1 n LYS 791 Cb 0.48 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 2wb1 n LYS 791 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2wb1 h PRO 792 N 0.00 0.64 0.00 1.97 0.11 -2.01 -2.61 132.00 130.09 2wb1 h PRO 792 Ca -0.40 -0.25 -0.08 0.00 0.11 0.00 0.00 66.00 65.38 2wb1 h PRO 792 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2wb1 h PRO 792 CO 0.25 0.82 -0.38 1.79 -0.21 0.00 0.00 178.00 180.27 2wb1 h THR 793 N 0.42 1.03 -0.01 -1.15 1.35 -2.01 -3.17 112.91 109.38 2wb1 h THR 793 Ca 0.08 -1.43 -0.16 0.00 -0.55 0.00 0.00 66.41 64.35 2wb1 h THR 793 Cb 0.58 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.81 2wb1 h THR 793 CO 0.03 0.37 -0.74 -0.33 -0.25 0.00 0.00 175.52 174.61 2wb1 h GLU 794 N 0.00 0.05 -0.18 4.72 5.08 -1.91 -2.27 114.58 120.08 2wb1 h GLU 794 Ca -0.00 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2wb1 h GLU 794 Cb 0.80 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2wb1 h GLU 794 CO 0.05 0.76 -0.41 1.25 -1.00 0.00 0.00 179.01 179.66 2wb1 h LEU 795 N 0.03 0.43 0.35 1.33 5.85 -1.44 -2.40 115.31 119.46 2wb1 h LEU 795 Ca -0.01 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2wb1 h LEU 795 Cb 1.30 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2wb1 h LEU 795 CO 0.10 0.79 -0.17 0.15 -0.34 0.00 0.00 178.44 178.98 2wb1 h PHE 796 N 0.34 -0.43 -0.51 1.25 3.57 -1.57 -2.05 116.94 117.52 2wb1 h PHE 796 Ca 0.03 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.61 2wb1 h PHE 796 Cb 0.86 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2wb1 h PHE 796 CO 0.03 -0.12 0.35 0.74 -2.23 0.00 0.00 178.31 177.08 2wb1 h PHE 797 N -0.77 0.31 -0.22 0.41 0.05 -1.42 0.20 116.94 115.50 2wb1 h PHE 797 Ca -0.05 0.01 -0.20 0.00 3.82 0.00 0.00 57.97 61.55 2wb1 h PHE 797 Cb 0.51 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.37 2wb1 h PHE 797 CO 0.01 0.15 -0.65 1.25 -0.18 0.00 0.00 178.31 178.89 2wb1 h HIS 798 N 0.30 1.04 0.37 -0.55 2.76 -1.41 -2.49 115.15 115.17 2wb1 h HIS 798 Ca 0.24 -0.41 -0.02 0.00 -2.20 0.00 0.00 60.37 57.98 2wb1 h HIS 798 Cb 0.55 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.33 2wb1 h HIS 798 CO -0.00 1.23 -0.18 0.00 -1.30 0.00 0.00 177.93 177.68 2wb1 h ALA 799 N 0.67 -1.13 -1.26 5.26 0.00 -0.41 0.59 119.26 122.99 2wb1 h ALA 799 Ca -0.02 -0.11 0.37 0.00 0.00 0.00 0.00 54.91 55.15 2wb1 h ALA 799 Cb 1.26 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 2wb1 h ALA 799 CO 0.14 -1.09 0.85 0.00 0.00 0.00 0.00 179.25 179.14 2wb1 h ALA 800 N -1.77 2.77 0.17 0.00 0.00 -0.76 0.82 119.26 120.49 2wb1 h ALA 800 Ca -0.05 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2wb1 h ALA 800 Cb 0.38 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2wb1 h ALA 800 CO 0.08 -1.25 -1.15 0.78 0.00 0.00 0.00 179.25 177.71 2wb1 h GLY 801 N 0.16 0.55 1.42 0.00 0.00 -1.34 -3.26 103.07 100.60 2wb1 h GLY 801 Ca 0.69 -1.29 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2wb1 h GLY 801 CO -0.24 1.13 0.00 0.61 0.00 0.00 0.00 176.54 178.04 2wb1 n GLY 802 N 1.56 -0.60 0.23 4.60 0.00 0.26 -2.47 105.19 108.78 2wb1 n GLY 802 Ca -0.15 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.96 2wb1 n GLY 802 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wb1 h ARG 803 N 0.00 0.00 0.71 1.61 9.65 -1.04 -3.28 114.38 122.03 2wb1 h ARG 803 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2wb1 h ARG 803 Cb 0.08 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2wb1 h ARG 803 CO 0.00 0.00 -0.47 0.93 2.80 0.00 0.00 179.97 183.23 2wb1 h GLU 804 N 0.00 -1.07 -0.74 0.20 4.39 -1.70 -2.92 114.58 112.74 2wb1 h GLU 804 Ca 0.00 0.07 0.15 0.00 0.34 0.00 0.00 59.36 59.92 2wb1 h GLU 804 Cb 0.72 0.24 -0.14 0.00 -0.10 0.00 0.00 28.75 29.47 2wb1 h GLU 804 CO 0.00 -0.72 -0.17 0.78 -1.16 0.00 0.00 179.01 177.75 2wb1 h GLY 805 N -1.11 0.56 0.61 -3.84 0.00 -1.81 -0.85 103.07 96.63 2wb1 h GLY 805 Ca -0.09 0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.55 2wb1 h GLY 805 CO 0.07 -0.28 0.45 1.41 0.00 0.00 0.00 176.54 178.19 2wb1 h LEU 806 N 0.01 0.66 0.00 3.11 3.38 -1.67 0.58 115.31 121.37 2wb1 h LEU 806 Ca 0.36 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2wb1 h LEU 806 Cb 0.56 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wb1 h LEU 806 CO -0.76 0.40 -0.09 0.58 0.09 0.00 0.00 178.44 178.66 2wb1 h VAL 807 N 0.79 0.00 0.02 1.22 2.07 -1.09 -3.29 116.25 115.96 2wb1 h VAL 807 Ca 0.36 -0.53 -0.28 0.00 0.82 0.00 0.00 66.70 67.08 2wb1 h VAL 807 Cb 0.27 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2wb1 h VAL 807 CO -0.21 0.00 -1.53 -0.78 0.02 0.00 0.00 177.57 175.07 2wb1 h ASP 808 N 0.00 0.07 -0.64 0.57 3.58 0.12 -2.14 116.42 117.98 2wb1 h ASP 808 Ca 0.00 -0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.37 2wb1 h ASP 808 Cb 0.76 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.75 2wb1 h ASP 808 CO 0.00 1.10 0.39 0.74 -2.88 0.00 0.00 179.24 178.59 2wb1 h THR 809 N 0.01 1.06 0.79 2.25 2.02 -1.01 -2.65 112.91 115.38 2wb1 h THR 809 Ca -0.22 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 2wb1 h THR 809 Cb 1.95 0.24 0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2wb1 h THR 809 CO 0.10 0.14 -0.38 0.00 0.37 0.00 0.00 175.52 175.75 2wb1 h ALA 810 N 1.29 -1.26 -2.43 6.16 0.00 -1.66 -3.43 119.26 117.94 2wb1 h ALA 810 Ca 0.26 -0.23 -0.75 0.00 0.00 0.00 0.00 54.91 54.19 2wb1 h ALA 810 Cb 0.05 0.41 -0.26 0.00 0.00 0.00 0.00 17.79 17.98 2wb1 h ALA 810 CO -0.12 -1.18 -0.21 0.08 0.00 0.00 0.00 179.25 177.82 2wb1 s VAL 811 N -5.27 4.94 0.00 0.00 1.01 -0.80 -4.33 120.40 115.95 2wb1 s VAL 811 Ca -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2wb1 s VAL 811 Cb 0.02 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2wb1 s VAL 811 CO 0.46 -0.87 0.00 -1.14 0.00 0.00 0.00 175.10 173.55 2wb1 n ARG 812 N 4.83 0.00 -0.25 2.72 0.63 -1.22 -4.55 116.66 118.82 2wb1 n ARG 812 Ca -0.06 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.88 2wb1 n ARG 812 Cb 0.41 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.45 2wb1 n ARG 812 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2wb1 h THR 813 N 0.00 0.91 -0.99 5.15 2.02 -1.85 -2.87 112.91 115.28 2wb1 h THR 813 Ca 0.00 -0.23 0.17 0.00 0.77 0.00 0.00 66.41 67.12 2wb1 h THR 813 Cb 0.00 0.17 -0.17 0.00 -1.74 0.00 0.00 68.15 66.41 2wb1 h THR 813 CO 0.00 0.12 -0.32 -1.20 0.37 0.00 0.00 175.52 174.49 2wb1 n SER 814 N -4.81 -0.51 -0.05 4.18 7.64 -1.26 -1.72 113.62 117.09 2wb1 n SER 814 Ca 0.11 1.71 -0.15 0.00 1.01 0.00 0.00 58.87 61.55 2wb1 n SER 814 Cb 0.24 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 2wb1 n SER 814 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wb1 n GLN 815 N -5.52 0.69 0.04 1.43 6.02 -1.20 -3.86 117.38 114.97 2wb1 n GLN 815 Ca 0.13 0.20 -0.20 0.00 -0.01 0.00 0.00 57.00 57.12 2wb1 n GLN 815 Cb 0.44 -1.66 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 2wb1 n GLN 815 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wb1 h SER 816 N 0.02 0.77 0.70 1.08 0.87 -1.31 0.27 113.55 115.96 2wb1 h SER 816 Ca -0.44 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.34 2wb1 h SER 816 Cb 2.04 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 2wb1 h SER 816 CO 0.04 1.45 0.00 1.23 -0.53 0.00 0.00 176.83 179.02 2wb1 h GLY 817 N 0.18 0.00 1.27 5.77 0.00 -1.56 0.43 103.07 109.15 2wb1 h GLY 817 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.86 2wb1 h GLY 817 CO 0.18 0.00 -1.48 -1.82 0.00 0.00 0.00 176.54 173.42 2wb1 h TYR 818 N 0.00 0.99 -0.15 5.60 -0.00 -1.58 -2.94 116.97 118.89 2wb1 h TYR 818 Ca 0.00 -0.72 -0.11 0.00 -0.00 0.00 0.00 58.73 57.90 2wb1 h TYR 818 Cb 0.35 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 37.03 2wb1 h TYR 818 CO 0.00 1.56 -0.39 1.98 -0.00 0.00 0.00 178.16 181.31 2wb1 h MET 819 N 0.15 0.32 -0.18 1.82 4.05 0.18 -2.56 114.93 118.71 2wb1 h MET 819 Ca -0.26 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.07 2wb1 h MET 819 Cb 2.17 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.91 2wb1 h MET 819 CO 0.28 0.66 -0.20 0.37 0.23 0.00 0.00 176.91 178.25 2wb1 h GLN 820 N 0.27 -0.22 -0.10 0.39 5.75 -0.19 -1.94 115.11 119.07 2wb1 h GLN 820 Ca 0.03 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2wb1 h GLN 820 Cb 0.81 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 2wb1 h GLN 820 CO 0.06 -0.15 -0.06 -0.09 -2.65 0.00 0.00 178.83 175.95 2wb1 h ARG 821 N -0.23 0.15 0.00 1.69 2.43 -1.38 0.13 114.38 117.16 2wb1 h ARG 821 Ca 0.12 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2wb1 h ARG 821 Cb 0.40 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2wb1 h ARG 821 CO -0.31 0.22 -0.43 0.00 -1.51 0.00 0.00 179.97 177.93 2wb1 h ARG 822 N 0.14 0.00 0.00 0.20 3.08 -0.94 -2.96 114.38 113.90 2wb1 h ARG 822 Ca 0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2wb1 h ARG 822 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2wb1 h ARG 822 CO 0.01 0.43 -1.83 1.47 -1.07 0.00 0.00 179.97 178.98 2wb1 n LEU 823 N -3.54 0.00 0.12 3.04 -0.00 -0.95 -3.39 117.00 112.28 2wb1 n LEU 823 Ca -0.00 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.12 2wb1 n LEU 823 Cb 0.55 0.18 0.48 0.00 -0.00 0.00 0.00 43.42 44.63 2wb1 n LEU 823 CO 0.38 0.18 0.83 0.00 -0.00 0.00 0.00 177.39 178.78 2wb1 n ILE 824 N -2.28 0.90 -0.12 1.47 3.06 0.42 -0.46 119.36 122.36 2wb1 n ILE 824 Ca -0.13 0.32 -0.19 0.00 -2.50 0.00 0.00 62.75 60.25 2wb1 n ILE 824 Cb 0.68 -1.25 -0.12 0.00 0.54 0.00 0.00 39.64 39.49 2wb1 n ILE 824 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2wb1 n ASN 825 N -2.17 1.99 0.24 9.51 3.02 -1.12 -4.11 115.26 122.63 2wb1 n ASN 825 Ca 0.02 -0.09 0.12 0.00 -0.03 0.00 0.00 54.58 54.60 2wb1 n ASN 825 Cb 0.19 -0.47 0.57 0.00 -0.61 0.00 0.00 39.78 39.45 2wb1 n ASN 825 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wb1 h ALA 826 N -0.03 1.09 -0.31 5.41 0.00 -1.45 -2.96 119.26 121.02 2wb1 h ALA 826 Ca -0.57 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2wb1 h ALA 826 Cb 1.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2wb1 h ALA 826 CO -0.08 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2wb1 n LEU 827 N -3.43 2.82 0.30 0.00 4.32 0.39 -4.78 117.00 116.62 2wb1 n LEU 827 Ca -0.00 -1.76 0.18 0.00 -0.02 0.00 0.00 56.01 54.41 2wb1 n LEU 827 Cb 0.36 -0.20 0.93 0.00 -1.62 0.00 0.00 43.42 42.89 2wb1 n LEU 827 CO 0.32 0.67 1.08 0.77 -1.22 0.00 0.00 177.39 179.01 2wb1 h SER 828 N 2.35 0.00 -0.23 -1.43 4.64 -1.67 -2.97 113.55 114.24 2wb1 h SER 828 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wb1 h SER 828 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2wb1 h SER 828 CO 0.00 0.03 0.00 0.47 -0.87 0.00 0.00 176.83 176.46 2wb1 n ASP 829 N -3.26 3.26 -4.64 4.97 8.00 -1.26 -4.92 116.55 118.70 2wb1 n ASP 829 Ca -0.02 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.08 2wb1 n ASP 829 Cb 0.18 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 2wb1 n ASP 829 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wb1 s LEU 830 N -1.69 4.07 0.22 0.64 1.43 -1.12 -0.78 118.68 121.44 2wb1 s LEU 830 Ca 0.34 0.91 0.07 0.00 -1.03 0.00 0.00 54.13 54.41 2wb1 s LEU 830 Cb 0.21 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 2wb1 s LEU 830 CO 0.31 -0.46 -0.10 0.00 0.23 0.00 0.00 176.35 176.32 2wb1 s ARG 831 N 2.72 1.34 -0.35 1.70 1.70 -0.74 -4.98 118.95 120.35 2wb1 s ARG 831 Ca 0.32 -1.62 -0.21 0.00 -0.47 0.00 0.00 55.73 53.74 2wb1 s ARG 831 Cb -0.15 -1.01 0.00 0.00 -0.57 0.00 0.00 34.95 33.22 2wb1 s ARG 831 CO 0.08 0.11 0.67 0.00 -1.08 0.00 0.00 175.30 175.08 2wb1 s ALA 832 N -3.08 3.47 0.80 7.88 0.00 -1.26 -1.94 121.76 127.63 2wb1 s ALA 832 Ca 0.24 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.33 2wb1 s ALA 832 Cb 0.01 -3.21 0.08 0.00 0.00 0.00 0.00 23.12 20.00 2wb1 s ALA 832 CO 0.07 -1.32 1.16 -1.21 0.00 0.00 0.00 175.76 174.46 2wb1 s GLU 833 N 2.79 2.01 0.58 0.00 0.41 -0.80 -4.96 118.70 118.73 2wb1 s GLU 833 Ca 0.26 0.09 0.31 0.00 -0.41 0.00 0.00 54.97 55.22 2wb1 s GLU 833 Cb -0.14 -1.97 1.78 0.00 -1.78 0.00 0.00 34.13 32.02 2wb1 s GLU 833 CO 0.15 -1.55 2.22 1.88 -0.49 0.00 0.00 175.26 177.47 2wb1 h TYR 834 N -1.00 0.00 -0.55 1.61 0.05 -1.97 -2.98 116.97 112.12 2wb1 h TYR 834 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 2wb1 h TYR 834 Cb 1.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 2wb1 h TYR 834 CO 0.32 0.03 0.00 -0.40 -1.05 0.00 0.00 178.16 177.06 2wb1 n ASP 835 N -3.70 5.05 0.00 3.88 5.75 -1.26 -4.89 116.55 121.38 2wb1 n ASP 835 Ca -0.03 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.04 2wb1 n ASP 835 Cb 0.13 -0.64 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 2wb1 n ASP 835 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wb1 n GLY 836 N 0.74 2.72 3.58 6.12 0.00 -1.13 -4.87 105.19 112.35 2wb1 n GLY 836 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 2wb1 n GLY 836 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wb1 s THR 837 N -2.07 2.13 -0.10 2.61 2.01 -1.26 -1.72 115.64 117.24 2wb1 s THR 837 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.05 2wb1 s THR 837 Cb 0.00 -2.24 0.02 0.00 0.01 0.00 0.00 72.50 70.29 2wb1 s THR 837 CO 0.00 -0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.10 2wb1 s VAL 838 N -2.65 1.04 0.05 3.82 1.01 0.22 -1.90 120.40 121.99 2wb1 s VAL 838 Ca 0.67 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2wb1 s VAL 838 Cb -0.22 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2wb1 s VAL 838 CO 0.61 0.36 -0.15 -0.13 0.00 0.00 0.00 175.10 175.80 2wb1 s ARG 839 N 1.35 0.92 0.79 2.72 0.52 -0.82 -1.05 118.95 123.37 2wb1 s ARG 839 Ca -0.02 -0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 54.25 2wb1 s ARG 839 Cb -0.14 -0.94 0.06 0.00 0.52 0.00 0.00 34.95 34.46 2wb1 s ARG 839 CO -0.04 0.23 1.10 -1.54 0.02 0.00 0.00 175.30 175.06 2wb1 s SER 840 N -1.35 4.36 0.00 0.23 1.04 -0.76 -1.78 113.70 115.44 2wb1 s SER 840 Ca 0.01 1.85 0.03 0.00 0.48 0.00 0.00 55.95 58.31 2wb1 s SER 840 Cb -0.09 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.68 2wb1 s SER 840 CO 0.02 -2.13 0.61 0.18 0.98 0.00 0.00 173.24 172.90 2wb1 n LEU 841 N -3.59 0.00 -0.01 2.42 4.77 0.04 -0.66 117.00 119.97 2wb1 n LEU 841 Ca 0.09 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2wb1 n LEU 841 Cb 0.53 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.46 2wb1 n LEU 841 CO 0.53 0.00 -0.71 -1.22 -1.33 0.00 0.00 177.39 174.66 2wb1 n TYR 842 N -0.59 0.00 0.00 -1.77 4.01 -1.26 -4.99 117.16 112.56 2wb1 n TYR 842 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2wb1 n TYR 842 Cb 0.01 -0.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 2wb1 n TYR 842 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wb1 n GLY 843 N 1.34 1.39 3.76 2.72 0.00 0.16 -5.09 105.19 109.46 2wb1 n GLY 843 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2wb1 n GLY 843 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wb1 s GLU 844 N -0.12 4.44 -0.60 1.61 2.02 -1.25 -4.91 118.70 119.90 2wb1 s GLU 844 Ca 0.00 0.97 -0.23 0.00 0.02 0.00 0.00 54.97 55.73 2wb1 s GLU 844 Cb 0.00 -3.34 0.05 0.00 0.10 0.00 0.00 34.13 30.94 2wb1 s GLU 844 CO 0.00 0.35 0.94 0.08 0.02 0.00 0.00 175.26 176.64 2wb1 s VAL 845 N -0.23 4.38 -0.06 2.63 1.01 -1.26 -1.82 120.40 125.04 2wb1 s VAL 845 Ca 0.36 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2wb1 s VAL 845 Cb -0.20 -4.59 -0.28 0.00 0.00 0.00 0.00 36.38 31.31 2wb1 s VAL 845 CO 0.21 -1.25 0.59 0.40 0.00 0.00 0.00 175.10 175.05 2wb1 h ILE 846 N 5.99 0.85 -2.68 2.22 5.03 -1.46 -3.46 117.51 124.00 2wb1 h ILE 846 Ca -0.27 -2.52 -0.47 0.00 -0.12 0.00 0.00 64.86 61.48 2wb1 h ILE 846 Cb 1.07 2.64 -0.39 0.00 -3.03 0.00 0.00 36.82 37.12 2wb1 h ILE 846 CO 1.12 0.84 -0.74 -1.10 -0.68 0.00 0.00 178.15 177.59 2wb1 s GLN 847 N -2.58 0.20 -1.02 2.37 -0.21 -0.55 -4.97 119.66 112.90 2wb1 s GLN 847 Ca -0.16 -0.35 -0.23 0.00 0.02 0.00 0.00 55.36 54.64 2wb1 s GLN 847 Cb 0.06 -1.15 -0.01 0.00 1.00 0.00 0.00 33.01 32.92 2wb1 s GLN 847 CO 0.82 -0.96 1.75 0.08 -2.12 0.00 0.00 175.29 174.87 2wb1 s VAL 848 N 2.17 3.70 0.00 1.09 1.01 -1.26 -0.61 120.40 126.50 2wb1 s VAL 848 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2wb1 s VAL 848 Cb -0.16 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.65 2wb1 s VAL 848 CO -0.31 -1.41 0.00 0.00 0.00 0.00 0.00 175.10 173.37 2wb1 n ALA 849 N 11.67 -0.28 -1.68 5.51 0.00 -1.24 -4.93 120.51 129.55 2wb1 n ALA 849 Ca 0.39 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.38 2wb1 n ALA 849 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 2wb1 n ALA 849 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wb1 n TYR 850 N 0.57 2.38 -4.11 0.00 9.36 -0.70 -2.74 117.16 121.92 2wb1 n TYR 850 Ca 0.00 0.15 -0.29 0.00 3.32 0.00 0.00 57.90 61.08 2wb1 n TYR 850 Cb 0.00 -2.60 -0.08 0.00 -0.63 0.00 0.00 39.34 36.03 2wb1 n TYR 850 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wb1 n GLY 851 N 3.73 -0.17 5.00 2.98 0.00 -1.26 -0.44 105.19 115.03 2wb1 n GLY 851 Ca 0.18 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2wb1 n GLY 851 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wb1 n ASP 852 N -2.45 0.00 -0.27 1.61 8.00 -1.11 -3.71 116.55 118.62 2wb1 n ASP 852 Ca -0.27 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.28 2wb1 n ASP 852 Cb 0.61 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.90 2wb1 n ASP 852 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2wb1 h ASP 853 N 0.00 0.34 0.00 -2.24 3.45 -1.87 -3.46 116.42 112.64 2wb1 h ASP 853 Ca 0.00 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.56 2wb1 h ASP 853 Cb 0.00 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 2wb1 h ASP 853 CO 0.00 0.13 0.00 0.61 -1.57 0.00 0.00 179.24 178.41 2wb1 n GLY 854 N -1.32 2.88 3.73 2.75 0.00 0.41 -5.00 105.19 108.64 2wb1 n GLY 854 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2wb1 n GLY 854 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wb1 s VAL 855 N -1.69 3.87 -0.08 1.61 1.01 -1.26 -4.87 120.40 119.00 2wb1 s VAL 855 Ca 0.00 1.48 -0.23 0.00 0.00 0.00 0.00 61.98 63.24 2wb1 s VAL 855 Cb 0.00 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2wb1 s VAL 855 CO 0.00 0.19 0.67 0.12 0.00 0.00 0.00 175.10 176.08 2wb1 s PHE 856 N 0.34 3.56 0.20 5.22 2.19 -1.26 -4.94 117.98 123.29 2wb1 s PHE 856 Ca 0.54 1.19 -0.22 0.00 0.33 0.00 0.00 56.93 58.77 2wb1 s PHE 856 Cb -0.30 -2.77 0.13 0.00 -1.31 0.00 0.00 43.02 38.77 2wb1 s PHE 856 CO 0.33 0.09 1.55 -1.00 1.83 0.00 0.00 175.22 178.02 2wb1 h PRO 857 N 6.78 -0.03 -0.05 10.12 0.13 -1.91 -0.67 132.00 146.38 2wb1 h PRO 857 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2wb1 h PRO 857 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wb1 h PRO 857 CO 0.76 -0.02 0.02 1.98 -0.23 0.00 0.00 178.00 180.51 2wb1 h MET 858 N -0.03 0.07 -0.57 0.86 1.85 -1.73 -1.40 114.93 113.98 2wb1 h MET 858 Ca 0.28 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.36 2wb1 h MET 858 Cb 0.54 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.56 2wb1 h MET 858 CO -0.94 0.06 0.00 0.66 -0.40 0.00 0.00 176.91 176.29 2wb1 n TYR 859 N -4.51 0.67 -3.62 1.39 0.53 -0.26 -4.83 117.16 106.53 2wb1 n TYR 859 Ca -0.02 -0.27 0.00 0.00 -1.02 0.00 0.00 57.90 56.59 2wb1 n TYR 859 Cb 0.10 -0.14 0.00 0.00 -1.03 0.00 0.00 39.34 38.27 2wb1 n TYR 859 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 2wb1 n SER 860 N 0.37 1.32 -0.03 7.72 3.41 -0.53 -4.95 113.62 120.92 2wb1 n SER 860 Ca 0.12 -0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 58.08 2wb1 n SER 860 Cb 0.47 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 2wb1 n SER 860 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wb1 n ALA 861 N -3.00 0.21 0.15 7.33 0.00 -1.26 -4.64 120.51 119.30 2wb1 n ALA 861 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2wb1 n ALA 861 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2wb1 n ALA 861 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wb1 n HIS 862 N -3.34 -3.10 -3.95 0.00 -0.00 -1.26 -3.61 115.22 99.96 2wb1 n HIS 862 Ca -0.03 0.81 -0.26 0.00 -0.00 0.00 0.00 57.72 58.24 2wb1 n HIS 862 Cb 0.12 1.89 -0.03 0.00 -0.00 0.00 0.00 29.99 31.97 2wb1 n HIS 862 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2wb1 s GLY 863 N -3.58 1.65 -0.43 -1.41 0.00 -1.26 -4.84 107.32 97.45 2wb1 s GLY 863 Ca 0.00 -1.06 -0.27 0.00 0.00 0.00 0.00 44.72 43.40 2wb1 s GLY 863 CO 0.00 -1.06 2.37 0.58 0.00 0.00 0.00 173.10 175.00 2wb1 n LYS 864 N -0.64 1.25 -1.75 2.90 2.85 -1.26 -4.30 118.16 117.21 2wb1 n LYS 864 Ca -0.07 0.13 -0.01 0.00 -1.05 0.00 0.00 58.31 57.31 2wb1 n LYS 864 Cb 0.54 -3.35 -0.01 0.00 -0.65 0.00 0.00 35.03 31.56 2wb1 n LYS 864 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2wb1 n THR 865 N 7.93 -5.01 -2.11 0.58 -1.04 -1.26 -4.89 114.28 108.48 2wb1 n THR 865 Ca 0.36 0.58 -0.38 0.00 -2.04 0.00 0.00 64.05 62.57 2wb1 n THR 865 Cb 0.51 -4.31 -0.03 0.00 -1.82 0.00 0.00 70.33 64.68 2wb1 n THR 865 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wb1 s VAL 866 N -0.20 3.41 0.25 12.58 1.01 -1.26 -4.85 120.40 131.35 2wb1 s VAL 866 Ca -0.05 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 2wb1 s VAL 866 Cb 0.00 -4.08 0.23 0.00 0.00 0.00 0.00 36.38 32.53 2wb1 s VAL 866 CO 0.18 -1.04 1.71 0.44 0.00 0.00 0.00 175.10 176.39 2wb1 h ASP 867 N 13.94 0.23 0.00 3.32 3.32 -1.96 0.53 116.42 135.80 2wb1 h ASP 867 Ca -0.22 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2wb1 h ASP 867 Cb 1.13 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2wb1 h ASP 867 CO 1.23 0.06 0.00 0.52 -1.72 0.00 0.00 179.24 179.33 2wb1 n VAL 868 N -5.04 0.00 -0.10 -1.35 0.31 -1.26 -3.68 118.33 107.21 2wb1 n VAL 868 Ca 0.15 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.26 2wb1 n VAL 868 Cb 0.46 -0.15 -0.07 0.00 -0.91 0.00 0.00 33.84 33.16 2wb1 n VAL 868 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2wb1 n ASN 869 N -0.45 1.47 -0.34 4.52 5.15 0.18 -4.27 115.26 121.51 2wb1 n ASN 869 Ca 0.00 0.25 0.01 0.00 -0.60 0.00 0.00 54.58 54.24 2wb1 n ASN 869 Cb 0.01 -0.61 0.15 0.00 -0.53 0.00 0.00 39.78 38.81 2wb1 n ASN 869 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 2wb1 h ARG 870 N -0.74 1.08 0.00 1.20 3.08 -1.63 0.70 114.38 118.06 2wb1 h ARG 870 Ca -0.53 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.46 2wb1 h ARG 870 Cb 1.46 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2wb1 h ARG 870 CO -0.32 0.71 0.00 1.51 -1.07 0.00 0.00 179.97 180.80 2wb1 n ILE 871 N -4.54 1.40 0.65 2.04 3.06 -1.25 1.00 119.36 121.72 2wb1 n ILE 871 Ca 0.14 0.35 0.09 0.00 -2.50 0.00 0.00 62.75 60.83 2wb1 n ILE 871 Cb 0.16 -1.25 -0.12 0.00 0.54 0.00 0.00 39.64 38.97 2wb1 n ILE 871 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 2wb1 n PHE 872 N -1.43 0.00 0.01 9.51 3.01 0.21 -3.40 117.46 125.38 2wb1 n PHE 872 Ca 0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.30 2wb1 n PHE 872 Cb 0.06 -0.11 -0.14 0.00 -0.01 0.00 0.00 39.48 39.28 2wb1 n PHE 872 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2wb1 h GLU 873 N 0.00 0.21 0.00 -1.08 5.08 0.37 -3.39 114.58 115.77 2wb1 h GLU 873 Ca 0.00 -0.36 -0.30 0.00 -1.00 0.00 0.00 59.36 57.71 2wb1 h GLU 873 Cb 0.55 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.88 2wb1 h GLU 873 CO 0.00 1.17 -2.10 0.54 -1.00 0.00 0.00 179.01 177.62 2wb1 n ARG 874 N -4.27 0.47 0.00 2.33 5.12 -0.11 -4.73 116.66 115.46 2wb1 n ARG 874 Ca -0.13 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wb1 n ARG 874 Cb 0.72 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.67 2wb1 n ARG 874 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wb1 n VAL 875 N -3.25 0.00 0.00 1.55 0.31 -1.24 -4.57 118.33 111.13 2wb1 n VAL 875 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2wb1 n VAL 875 Cb 0.84 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 2wb1 n VAL 875 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2wb1 n VAL 876 N 0.00 0.00 0.00 2.52 3.14 -1.22 -4.07 118.33 118.71 2wb1 n VAL 876 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wb1 n VAL 876 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wb1 n VAL 876 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wb1 n GLY 877 N 0.00 0.00 0.00 7.55 0.00 -1.26 0.12 105.19 111.59 2wb1 n GLY 877 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wb1 n GLY 877 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wb1 n TRP 878 N -0.89 0.00 -1.10 1.61 8.01 -1.26 -4.80 117.44 119.02 2wb1 n TRP 878 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 2wb1 n TRP 878 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 2wb1 n TRP 878 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31