#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wg2 h GLU 5 N 0.00 0.00 -0.01 -1.46 4.81 -2.03 -2.50 114.58 113.39 2wg2 h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wg2 h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2wg2 h GLU 5 CO 0.00 0.00 -0.24 1.28 -0.73 0.00 0.00 179.01 179.32 2wg2 n LEU 6 N -4.21 1.08 -4.51 1.64 4.77 -1.26 -4.80 117.00 109.70 2wg2 n LEU 6 Ca -0.02 -0.29 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 2wg2 n LEU 6 Cb 0.12 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 2wg2 n LEU 6 CO 0.31 0.20 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.08 2wg2 s LEU 7 N -2.46 3.57 -0.06 2.23 2.96 -0.94 -0.10 118.68 123.87 2wg2 s LEU 7 Ca 0.25 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2wg2 s LEU 7 Cb 0.19 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.96 2wg2 s LEU 7 CO 0.51 0.04 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.78 2wg2 s VAL 8 N 1.16 1.06 -0.13 1.68 1.01 -0.51 -4.83 120.40 119.84 2wg2 s VAL 8 Ca 0.04 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 2wg2 s VAL 8 Cb -0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 2wg2 s VAL 8 CO 0.03 0.34 0.46 0.21 0.00 0.00 0.00 175.10 176.14 2wg2 s ASN 9 N 0.67 6.65 0.42 3.32 2.47 -1.26 -0.72 114.94 126.49 2wg2 s ASN 9 Ca -0.14 0.77 0.06 0.00 0.42 0.00 0.00 52.86 53.97 2wg2 s ASN 9 Cb -0.15 -2.27 -0.07 0.00 -1.45 0.00 0.00 41.25 37.30 2wg2 s ASN 9 CO 0.03 0.00 0.01 0.42 -3.72 0.00 0.00 177.10 173.85 2wg2 s THR 10 N 0.66 1.81 -0.19 -5.21 -4.23 -0.66 -4.86 115.64 102.96 2wg2 s THR 10 Ca 0.25 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.00 2wg2 s THR 10 Cb -0.15 -2.86 0.25 0.00 1.34 0.00 0.00 72.50 71.08 2wg2 s THR 10 CO 0.10 0.00 1.75 0.11 -0.54 0.00 0.00 174.62 176.03 2wg2 h LYS 11 N 1.73 0.00 -0.00 3.99 1.57 -1.93 -2.22 116.57 119.71 2wg2 h LYS 11 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2wg2 h LYS 11 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2wg2 h LYS 11 CO 0.79 0.00 -0.81 0.43 -0.57 0.00 0.00 179.45 179.29 2wg2 n SER 12 N -2.35 1.21 0.00 0.86 7.64 -1.26 -4.90 113.62 114.81 2wg2 n SER 12 Ca -0.01 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.82 2wg2 n SER 12 Cb 0.10 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 2wg2 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wg2 n GLY 13 N 1.48 1.46 3.80 0.23 0.00 -0.83 -1.21 105.19 110.11 2wg2 n GLY 13 Ca 0.06 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 2wg2 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wg2 s LYS 14 N -1.26 4.40 -0.00 1.61 1.02 -1.25 -1.66 119.74 122.60 2wg2 s LYS 14 Ca 0.00 1.09 0.05 0.00 0.02 0.00 0.00 55.97 57.12 2wg2 s LYS 14 Cb 0.00 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 2wg2 s LYS 14 CO 0.00 0.31 -0.15 0.14 -0.92 0.00 0.00 175.35 174.74 2wg2 s VAL 15 N -1.61 1.16 -0.19 3.17 -7.23 0.11 -0.68 120.40 115.12 2wg2 s VAL 15 Ca 0.48 -0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 59.94 2wg2 s VAL 15 Cb -0.17 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 35.79 2wg2 s VAL 15 CO 0.22 0.28 -0.08 -0.32 -0.31 0.00 0.00 175.10 174.89 2wg2 s MET 16 N -0.46 3.34 0.00 4.82 1.75 -0.03 -1.43 119.30 127.30 2wg2 s MET 16 Ca 0.05 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.83 2wg2 s MET 16 Cb -0.06 -2.87 0.00 0.00 2.84 0.00 0.00 34.83 34.74 2wg2 s MET 16 CO -0.00 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 174.69 2wg2 n GLY 17 N 4.44 1.26 3.06 2.11 0.00 0.86 -0.68 105.19 116.23 2wg2 n GLY 17 Ca -0.18 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 2wg2 n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wg2 s THR 18 N 1.56 0.04 -0.17 2.61 -1.32 0.21 -4.70 115.64 113.87 2wg2 s THR 18 Ca 0.00 -0.36 -0.24 0.00 -1.21 0.00 0.00 61.69 59.87 2wg2 s THR 18 Cb 0.00 -0.32 -0.02 0.00 -1.51 0.00 0.00 72.50 70.65 2wg2 s THR 18 CO 0.00 -0.20 0.79 -0.60 -2.21 0.00 0.00 174.62 172.40 2wg2 s ARG 19 N -0.67 4.29 -0.07 7.08 3.52 -1.26 -0.79 118.95 131.05 2wg2 s ARG 19 Ca -0.08 0.95 0.04 0.00 -0.13 0.00 0.00 55.73 56.51 2wg2 s ARG 19 Cb -0.04 -3.57 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2wg2 s ARG 19 CO 0.01 -0.29 -0.20 0.14 -0.81 0.00 0.00 175.30 174.15 2wg2 s VAL 20 N 2.03 2.50 0.42 7.11 -7.23 0.26 -4.95 120.40 120.54 2wg2 s VAL 20 Ca 0.37 -0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 2wg2 s VAL 20 Cb -0.17 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 2wg2 s VAL 20 CO 0.12 0.57 1.17 -2.16 -0.31 0.00 0.00 175.10 174.49 2wg2 s PRO 21 N -0.19 3.95 -0.25 4.82 0.04 -1.26 -1.27 135.00 140.84 2wg2 s PRO 21 Ca -0.02 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 62.80 2wg2 s PRO 21 Cb -0.13 -2.58 0.13 0.00 0.04 0.00 0.00 34.50 31.95 2wg2 s PRO 21 CO 0.03 -0.41 0.48 0.54 0.04 0.00 0.00 177.00 177.69 2wg2 s VAL 22 N -1.46 -0.77 -1.39 -0.36 0.11 0.23 -4.88 120.40 111.88 2wg2 s VAL 22 Ca 0.59 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.68 2wg2 s VAL 22 Cb -0.30 -0.82 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 2wg2 s VAL 22 CO 0.38 -0.00 0.43 0.18 -3.33 0.00 0.00 175.10 172.75 2wg2 n LEU 23 N 5.40 -2.26 0.00 2.54 4.77 -1.26 -0.60 117.00 125.60 2wg2 n LEU 23 Ca -0.07 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 2wg2 n LEU 23 Cb 0.50 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.35 2wg2 n LEU 23 CO 0.01 0.44 0.00 -1.20 -1.33 0.00 0.00 177.39 175.31 2wg2 n SER 24 N -2.98 -2.67 -0.14 -1.43 7.64 -1.26 -4.98 113.62 107.80 2wg2 n SER 24 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2wg2 n SER 24 Cb 0.68 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2wg2 n SER 24 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wg2 n SER 25 N -0.20 0.83 -3.84 6.43 2.88 0.23 -5.19 113.62 114.77 2wg2 n SER 25 Ca 0.00 -0.10 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 2wg2 n SER 25 Cb 0.10 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.48 2wg2 n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2wg2 s HIS 26 N -0.31 0.07 0.30 0.66 3.76 -1.26 -0.60 115.29 117.91 2wg2 s HIS 26 Ca 0.00 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.56 2wg2 s HIS 26 Cb 0.00 -0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.65 2wg2 s HIS 26 CO 0.00 -0.47 0.36 0.96 -0.85 0.00 0.00 174.74 174.73 2wg2 s ILE 27 N -2.96 0.00 -0.03 0.60 -4.36 -0.39 -4.53 121.20 109.52 2wg2 s ILE 27 Ca -0.02 -1.76 -0.07 0.00 -0.26 0.00 0.00 60.65 58.54 2wg2 s ILE 27 Cb 0.01 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 2wg2 s ILE 27 CO -0.06 0.00 0.24 -0.44 0.24 0.00 0.00 174.94 174.92 2wg2 s SER 28 N -3.23 6.49 -0.05 4.36 0.01 -0.71 -0.57 113.70 119.99 2wg2 s SER 28 Ca 0.34 0.56 0.03 0.00 1.31 0.00 0.00 55.95 58.19 2wg2 s SER 28 Cb 0.02 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.16 2wg2 s SER 28 CO 0.19 0.31 -0.13 0.00 0.41 0.00 0.00 173.24 174.03 2wg2 s ALA 29 N -1.19 1.23 -0.30 1.44 0.00 0.03 -0.35 121.76 122.62 2wg2 s ALA 29 Ca 0.23 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2wg2 s ALA 29 Cb -0.13 -0.48 0.07 0.00 0.00 0.00 0.00 23.12 22.59 2wg2 s ALA 29 CO 0.12 0.17 -0.03 -0.06 0.00 0.00 0.00 175.76 175.97 2wg2 s PHE 30 N 0.34 3.45 -0.06 0.00 0.40 0.85 -0.62 117.98 122.33 2wg2 s PHE 30 Ca -0.08 -2.50 0.01 0.00 -0.60 0.00 0.00 56.93 53.76 2wg2 s PHE 30 Cb -0.12 -2.35 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 2wg2 s PHE 30 CO 0.02 -0.90 -0.07 -0.51 0.70 0.00 0.00 175.22 174.46 2wg2 s LEU 31 N 1.06 3.16 -0.90 -0.37 1.43 -0.21 -0.16 118.68 122.69 2wg2 s LEU 31 Ca -0.01 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2wg2 s LEU 31 Cb -0.20 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.33 2wg2 s LEU 31 CO -0.05 0.36 0.78 0.61 0.23 0.00 0.00 176.35 178.28 2wg2 n GLY 32 N 2.18 -0.04 3.70 -3.19 0.00 -1.04 -4.13 105.19 102.67 2wg2 n GLY 32 Ca -0.18 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2wg2 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wg2 s ILE 33 N -3.21 4.82 0.24 -0.61 1.01 -0.33 -4.79 121.20 118.33 2wg2 s ILE 33 Ca 0.38 2.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.79 2wg2 s ILE 33 Cb -0.17 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 2wg2 s ILE 33 CO 0.48 0.07 1.07 -2.16 0.00 0.00 0.00 174.94 174.41 2wg2 s PRO 34 N 1.57 4.67 0.00 2.79 0.04 -1.26 -0.30 135.00 142.50 2wg2 s PRO 34 Ca 0.50 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2wg2 s PRO 34 Cb -0.19 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.11 2wg2 s PRO 34 CO 0.22 0.23 0.07 1.97 0.04 0.00 0.00 177.00 179.53 2wg2 n PHE 35 N 1.60 0.00 -4.08 0.56 1.16 -1.07 -4.90 117.46 110.73 2wg2 n PHE 35 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 2wg2 n PHE 35 Cb 0.46 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.23 2wg2 n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wg2 s ALA 36 N -0.77 0.54 0.44 1.98 0.00 -1.25 -3.06 121.76 119.64 2wg2 s ALA 36 Ca 0.00 -1.23 -0.25 0.00 0.00 0.00 0.00 51.96 50.48 2wg2 s ALA 36 Cb 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 23.12 23.65 2wg2 s ALA 36 CO 0.00 -0.46 1.29 -1.21 0.00 0.00 0.00 175.76 175.38 2wg2 s GLU 37 N -3.97 3.76 -0.22 0.00 0.41 0.38 -4.44 118.70 114.61 2wg2 s GLU 37 Ca 0.15 2.10 -0.37 0.00 -0.41 0.00 0.00 54.97 56.44 2wg2 s GLU 37 Cb 0.07 -2.58 -0.14 0.00 -1.78 0.00 0.00 34.13 29.70 2wg2 s GLU 37 CO -0.04 -0.65 1.85 -2.30 -0.49 0.00 0.00 175.26 173.63 2wg2 n PRO 38 N -0.23 1.52 -1.53 0.39 -0.02 -1.26 -4.66 135.00 129.21 2wg2 n PRO 38 Ca 0.06 0.55 -0.39 0.00 -2.02 0.00 0.00 63.50 61.69 2wg2 n PRO 38 Cb 0.45 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2wg2 n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wg2 n PRO 39 N 6.22 3.96 -4.28 0.52 -0.04 -1.26 -4.90 135.00 135.22 2wg2 n PRO 39 Ca 0.27 -2.60 -0.24 0.00 -0.04 0.00 0.00 63.50 60.89 2wg2 n PRO 39 Cb 0.20 -2.76 -0.08 0.00 -0.04 0.00 0.00 33.50 30.83 2wg2 n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2wg2 s VAL 40 N 1.17 3.45 0.00 0.52 -7.23 -1.26 -3.38 120.40 113.67 2wg2 s VAL 40 Ca 0.64 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 2wg2 s VAL 40 Cb 0.18 -2.80 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2wg2 s VAL 40 CO -0.07 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 2wg2 n GLY 41 N -0.60 2.93 0.00 2.32 0.00 -1.26 -1.93 105.19 106.64 2wg2 n GLY 41 Ca -0.08 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.83 2wg2 n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wg2 n ASN 42 N 8.00 0.00 -0.03 1.61 0.23 -1.26 -2.11 115.26 121.70 2wg2 n ASN 42 Ca 0.00 -0.03 0.13 0.00 -0.53 0.00 0.00 54.58 54.15 2wg2 n ASN 42 Cb 0.00 -0.28 0.42 0.00 -2.08 0.00 0.00 39.78 37.84 2wg2 n ASN 42 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2wg2 n MET 43 N -1.28 0.13 -1.72 -3.83 2.81 -0.81 -4.80 117.12 107.62 2wg2 n MET 43 Ca 0.11 -0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.51 2wg2 n MET 43 Cb 0.18 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 2wg2 n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2wg2 n ARG 44 N -1.39 2.65 0.00 0.03 0.63 -0.90 -1.74 116.66 115.95 2wg2 n ARG 44 Ca 0.07 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.96 2wg2 n ARG 44 Cb 0.33 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 30.47 2wg2 n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2wg2 n PHE 45 N 3.40 0.00 -2.40 -0.14 3.72 -1.26 -4.92 117.46 115.86 2wg2 n PHE 45 Ca 0.14 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.22 2wg2 n PHE 45 Cb 0.34 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 2wg2 n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wg2 s ARG 46 N -0.02 3.87 0.44 -1.08 0.52 -0.71 -4.25 118.95 117.72 2wg2 s ARG 46 Ca 0.00 1.04 -0.23 0.00 -0.52 0.00 0.00 55.73 56.02 2wg2 s ARG 46 Cb 0.00 -2.12 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 2wg2 s ARG 46 CO 0.00 -0.34 0.84 0.54 0.02 0.00 0.00 175.30 176.36 2wg2 n ARG 47 N -1.50 1.02 -2.00 3.54 1.74 -1.26 -4.93 116.66 113.27 2wg2 n ARG 47 Ca 0.07 0.37 -0.35 0.00 -0.77 0.00 0.00 57.85 57.17 2wg2 n ARG 47 Cb 0.54 -1.86 0.03 0.00 -1.02 0.00 0.00 32.46 30.15 2wg2 n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wg2 s PRO 48 N -1.93 3.01 -0.02 5.56 0.04 -1.26 -5.05 135.00 135.35 2wg2 s PRO 48 Ca 0.64 1.65 0.03 0.00 0.04 0.00 0.00 61.00 63.36 2wg2 s PRO 48 Cb -0.56 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 2wg2 s PRO 48 CO 0.56 -1.13 -0.08 -1.21 0.04 0.00 0.00 177.00 175.18 2wg2 s GLU 49 N -3.53 2.58 0.43 4.56 0.41 -1.26 -5.03 118.70 116.85 2wg2 s GLU 49 Ca 0.73 -0.68 -0.25 0.00 -0.41 0.00 0.00 54.97 54.36 2wg2 s GLU 49 Cb -0.26 -2.50 -0.10 0.00 -1.78 0.00 0.00 34.13 29.50 2wg2 s GLU 49 CO 0.34 0.62 1.14 -2.30 -0.49 0.00 0.00 175.26 174.57 2wg2 n PRO 50 N 1.81 1.62 -2.08 0.39 -0.02 -1.26 -0.47 135.00 134.99 2wg2 n PRO 50 Ca -0.16 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2wg2 n PRO 50 Cb 0.53 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2wg2 n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wg2 s LYS 51 N -2.15 4.27 0.19 -0.52 2.47 -1.17 -3.98 119.74 118.85 2wg2 s LYS 51 Ca 0.63 2.18 -0.30 0.00 -1.56 0.00 0.00 55.97 56.92 2wg2 s LYS 51 Cb -0.53 -3.27 -0.09 0.00 -1.46 0.00 0.00 37.83 32.48 2wg2 s LYS 51 CO 0.57 -0.53 1.39 0.15 0.16 0.00 0.00 175.35 177.09 2wg2 s LYS 52 N 1.35 4.32 0.59 4.03 1.02 -1.26 -4.92 119.74 124.87 2wg2 s LYS 52 Ca 0.67 2.16 -0.19 0.00 0.02 0.00 0.00 55.97 58.63 2wg2 s LYS 52 Cb -0.39 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 2wg2 s LYS 52 CO 0.30 -0.38 1.10 -2.30 -0.92 0.00 0.00 175.35 173.15 2wg2 n PRO 53 N 2.96 1.10 -4.30 -1.68 -0.02 -1.26 -5.02 135.00 126.77 2wg2 n PRO 53 Ca 0.08 0.42 -0.26 0.00 -2.02 0.00 0.00 63.50 61.72 2wg2 n PRO 53 Cb 0.41 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 2wg2 n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2wg2 s TRP 54 N -1.44 2.62 0.51 6.00 -2.14 -0.35 -5.01 118.94 119.13 2wg2 s TRP 54 Ca 0.76 -0.23 -0.02 0.00 2.66 0.00 0.00 56.10 59.27 2wg2 s TRP 54 Cb -0.42 -1.24 0.00 0.00 -3.10 0.00 0.00 33.47 28.71 2wg2 s TRP 54 CO 0.47 0.55 0.76 -1.12 -2.66 0.00 0.00 176.95 174.95 2wg2 s SER 55 N -3.08 5.69 0.50 -2.66 0.01 -1.26 -4.49 113.70 108.42 2wg2 s SER 55 Ca 0.27 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2wg2 s SER 55 Cb -0.08 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2wg2 s SER 55 CO 0.16 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2wg2 n GLY 56 N -2.28 -0.48 3.25 3.44 0.00 -1.26 -4.78 105.19 103.08 2wg2 n GLY 56 Ca 0.03 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 2wg2 n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg2 s VAL 57 N 0.00 2.97 -0.04 1.61 1.01 -1.26 -3.89 120.40 120.79 2wg2 s VAL 57 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2wg2 s VAL 57 Cb 0.00 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2wg2 s VAL 57 CO 0.00 0.46 1.34 0.86 0.00 0.00 0.00 175.10 177.76 2wg2 s TRP 58 N 1.41 2.90 -0.54 5.22 -0.11 0.14 -4.86 118.94 123.10 2wg2 s TRP 58 Ca 0.05 0.92 -0.28 0.00 1.22 0.00 0.00 56.10 58.02 2wg2 s TRP 58 Cb -0.14 -3.59 0.01 0.00 -1.50 0.00 0.00 33.47 28.25 2wg2 s TRP 58 CO -0.06 -2.11 1.45 1.21 -4.62 0.00 0.00 176.95 172.82 2wg2 s ASN 59 N 1.86 6.10 -0.53 5.86 3.84 -1.26 -0.85 114.94 129.96 2wg2 s ASN 59 Ca 0.61 0.37 0.03 0.00 0.21 0.00 0.00 52.86 54.08 2wg2 s ASN 59 Cb -0.28 -2.54 0.43 0.00 -0.55 0.00 0.00 41.25 38.30 2wg2 s ASN 59 CO 0.24 -1.71 1.54 0.00 -2.79 0.00 0.00 177.10 174.38 2wg2 n ALA 60 N 9.66 5.65 0.68 1.71 0.00 0.14 -4.65 120.51 133.70 2wg2 n ALA 60 Ca 0.13 -3.91 0.10 0.00 0.00 0.00 0.00 53.44 49.76 2wg2 n ALA 60 Cb 0.49 -1.06 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 2wg2 n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wg2 n SER 61 N -0.67 0.68 -4.13 0.00 3.41 -1.25 -1.04 113.62 110.61 2wg2 n SER 61 Ca 0.49 -0.66 -0.19 0.00 -0.26 0.00 0.00 58.87 58.26 2wg2 n SER 61 Cb 0.67 1.27 -0.13 0.00 -0.26 0.00 0.00 64.21 65.76 2wg2 n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wg2 s THR 62 N -3.16 1.02 0.37 6.66 -4.23 -1.26 -4.86 115.64 110.17 2wg2 s THR 62 Ca 0.03 -1.07 -0.26 0.00 -1.18 0.00 0.00 61.69 59.21 2wg2 s THR 62 Cb 0.15 -0.95 -0.12 0.00 1.34 0.00 0.00 72.50 72.92 2wg2 s THR 62 CO 0.88 -0.10 1.07 -1.22 -0.54 0.00 0.00 174.62 174.70 2wg2 n TYR 63 N 1.71 1.45 -1.56 3.99 4.01 -1.26 -3.82 117.16 121.67 2wg2 n TYR 63 Ca -0.19 0.60 -0.29 0.00 -0.16 0.00 0.00 57.90 57.85 2wg2 n TYR 63 Cb 0.55 -2.28 0.15 0.00 -0.31 0.00 0.00 39.34 37.45 2wg2 n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wg2 s PRO 64 N -1.86 0.82 0.76 -0.72 0.04 -1.26 -4.88 135.00 127.90 2wg2 s PRO 64 Ca 0.60 0.13 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 2wg2 s PRO 64 Cb -0.60 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.16 2wg2 s PRO 64 CO 0.59 -2.38 1.07 0.09 0.04 0.00 0.00 177.00 176.41 2wg2 n ASN 65 N -3.86 0.76 -4.93 6.66 3.02 -1.26 -4.84 115.26 110.81 2wg2 n ASN 65 Ca 0.09 0.64 -0.26 0.00 -0.03 0.00 0.00 54.58 55.02 2wg2 n ASN 65 Cb 0.59 -1.45 -0.02 0.00 -0.61 0.00 0.00 39.78 38.29 2wg2 n ASN 65 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2wg2 s ASN 66 N -1.81 6.35 0.66 6.41 0.02 -0.22 -4.78 114.94 121.58 2wg2 s ASN 66 Ca 0.74 0.49 -0.15 0.00 -1.02 0.00 0.00 52.86 52.92 2wg2 s ASN 66 Cb -0.32 -2.05 0.00 0.00 0.02 0.00 0.00 41.25 38.90 2wg2 s ASN 66 CO 0.50 -0.21 1.11 0.00 0.02 0.00 0.00 177.10 178.53 2wg2 s GLN 68 N -4.11 4.21 0.09 0.00 -1.52 -1.22 -4.59 119.66 112.52 2wg2 s GLN 68 Ca 0.67 2.35 -0.20 0.00 -1.95 0.00 0.00 55.36 56.23 2wg2 s GLN 68 Cb -0.21 -3.29 0.05 0.00 -0.22 0.00 0.00 33.01 29.34 2wg2 s GLN 68 CO 0.42 -0.64 0.48 1.14 -0.25 0.00 0.00 175.29 176.44 2wg2 s GLN 69 N 1.58 1.07 0.17 2.91 -2.07 -1.26 -4.67 119.66 117.38 2wg2 s GLN 69 Ca 0.71 -0.43 -0.33 0.00 -1.82 0.00 0.00 55.36 53.49 2wg2 s GLN 69 Cb -0.42 0.48 -0.14 0.00 -1.09 0.00 0.00 33.01 31.83 2wg2 s GLN 69 CO 0.31 -0.41 1.44 0.98 -1.32 0.00 0.00 175.29 176.30 2wg2 n TYR 70 N 0.11 2.00 -4.48 9.60 9.36 -1.26 -5.01 117.16 127.49 2wg2 n TYR 70 Ca -0.17 0.43 -0.34 0.00 3.32 0.00 0.00 57.90 61.14 2wg2 n TYR 70 Cb 0.62 -2.45 -0.14 0.00 -0.63 0.00 0.00 39.34 36.74 2wg2 n TYR 70 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2wg2 s VAL 71 N 0.43 3.25 -0.14 2.97 1.01 -1.26 -4.87 120.40 121.79 2wg2 s VAL 71 Ca 0.76 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2wg2 s VAL 71 Cb -0.74 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 2wg2 s VAL 71 CO 0.44 0.49 1.52 -0.62 0.00 0.00 0.00 175.10 176.93 2wg2 s ASP 72 N 0.65 6.66 -0.14 3.32 2.15 -1.26 -4.87 116.67 123.19 2wg2 s ASP 72 Ca -0.05 1.86 0.18 0.00 0.43 0.00 0.00 52.55 54.97 2wg2 s ASP 72 Cb -0.15 -2.53 0.32 0.00 -0.30 0.00 0.00 42.92 40.25 2wg2 s ASP 72 CO 0.02 -0.98 1.17 -0.62 -0.17 0.00 0.00 175.17 174.60 2wg2 n GLU 73 N 7.14 1.40 -0.02 4.34 1.02 -1.26 -4.80 120.64 128.46 2wg2 n GLU 73 Ca 0.17 -2.66 -0.04 0.00 -0.02 0.00 0.00 57.16 54.61 2wg2 n GLU 73 Cb 0.44 -1.53 0.20 0.00 -0.02 0.00 0.00 31.44 30.53 2wg2 n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2wg2 h GLN 74 N 0.19 0.58 -2.58 3.49 5.75 -2.01 -3.34 115.11 117.19 2wg2 h GLN 74 Ca 0.00 -0.19 -0.60 0.00 -0.15 0.00 0.00 58.65 57.71 2wg2 h GLN 74 Cb 1.03 -0.05 -0.40 0.00 1.07 0.00 0.00 27.48 29.13 2wg2 h GLN 74 CO 0.01 0.72 -0.80 1.19 -2.65 0.00 0.00 178.83 177.30 2wg2 n PHE 75 N -4.17 1.11 -1.69 3.99 3.72 -1.26 -5.11 117.46 114.05 2wg2 n PHE 75 Ca 0.01 -3.79 -0.45 0.00 -0.05 0.00 0.00 57.45 53.17 2wg2 n PHE 75 Cb 0.36 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2wg2 n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wg2 n PRO 76 N 2.19 2.29 -0.31 -1.08 -0.02 -1.26 -1.42 135.00 135.39 2wg2 n PRO 76 Ca 0.25 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 2wg2 n PRO 76 Cb 0.43 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 2wg2 n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wg2 n GLY 77 N 3.10 2.08 3.69 -1.23 0.00 -1.26 -5.01 105.19 106.56 2wg2 n GLY 77 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2wg2 n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wg2 s PHE 78 N -3.20 3.48 0.35 1.61 5.36 -0.51 -4.95 117.98 120.12 2wg2 s PHE 78 Ca 0.00 1.22 0.08 0.00 -0.96 0.00 0.00 56.93 57.27 2wg2 s PHE 78 Cb 0.00 -2.91 0.66 0.00 -0.34 0.00 0.00 43.02 40.42 2wg2 s PHE 78 CO 0.00 -0.11 1.84 0.66 -1.46 0.00 0.00 175.22 176.15 2wg2 h SER 79 N 7.14 0.25 -0.77 6.13 4.64 -1.95 -1.20 113.55 127.79 2wg2 h SER 79 Ca -0.34 -0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.02 2wg2 h SER 79 Cb 1.16 -0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.13 2wg2 h SER 79 CO 0.79 0.48 0.51 1.23 -0.87 0.00 0.00 176.83 178.97 2wg2 h GLY 80 N 0.92 0.94 0.11 -0.77 0.00 -1.94 -1.84 103.07 100.48 2wg2 h GLY 80 Ca 0.04 -0.26 -0.39 0.00 0.00 0.00 0.00 47.33 46.72 2wg2 h GLY 80 CO 0.04 0.13 -2.39 -1.14 0.00 0.00 0.00 176.54 173.18 2wg2 n SER 81 N -4.50 1.96 0.27 0.19 3.41 -1.14 -4.48 113.62 109.33 2wg2 n SER 81 Ca 0.13 -0.08 0.16 0.00 -0.26 0.00 0.00 58.87 58.83 2wg2 n SER 81 Cb 0.39 -0.46 0.67 0.00 -0.26 0.00 0.00 64.21 64.55 2wg2 n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wg2 h GLU 82 N 0.01 0.00 0.00 4.33 5.08 -1.16 -2.49 114.58 120.35 2wg2 h GLU 82 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2wg2 h GLU 82 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 2wg2 h GLU 82 CO -0.06 0.03 0.00 0.00 -1.00 0.00 0.00 179.01 177.99 2wg2 h MET 83 N 0.00 0.00 0.00 2.33 -0.00 -1.56 -2.06 114.93 113.65 2wg2 h MET 83 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2wg2 h MET 83 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.13 2wg2 h MET 83 CO 0.00 0.00 -1.21 0.91 -0.00 0.00 0.00 176.91 176.62 2wg2 n TRP 84 N -2.40 0.01 -2.36 -0.10 7.02 -0.94 -4.74 117.44 113.94 2wg2 n TRP 84 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 2wg2 n TRP 84 Cb 0.10 -0.13 -0.03 0.00 -2.42 0.00 0.00 31.31 28.82 2wg2 n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 2wg2 s ASN 85 N -3.37 6.60 0.21 -0.99 0.01 -0.77 -4.71 114.94 111.92 2wg2 s ASN 85 Ca 0.04 1.56 -0.32 0.00 -0.71 0.00 0.00 52.86 53.43 2wg2 s ASN 85 Cb 0.16 -2.51 -0.14 0.00 0.41 0.00 0.00 41.25 39.17 2wg2 s ASN 85 CO 0.87 -0.61 1.35 -2.65 -1.51 0.00 0.00 177.10 174.56 2wg2 n PRO 86 N -1.66 1.80 -0.14 -0.60 -0.02 -1.26 -4.89 135.00 128.23 2wg2 n PRO 86 Ca 0.07 0.64 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 2wg2 n PRO 86 Cb 0.54 -2.26 0.13 0.00 -0.02 0.00 0.00 33.50 31.88 2wg2 n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2wg2 n ASN 87 N 2.20 2.72 -4.52 2.55 6.94 -1.26 -4.98 115.26 118.91 2wg2 n ASN 87 Ca 0.13 -1.92 -0.24 0.00 -0.02 0.00 0.00 54.58 52.53 2wg2 n ASN 87 Cb 0.29 -0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 2wg2 n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2wg2 s ARG 88 N -0.98 1.76 0.46 -3.83 1.81 -1.26 -5.11 118.95 111.80 2wg2 s ARG 88 Ca 0.20 -1.96 -0.24 0.00 -1.72 0.00 0.00 55.73 52.01 2wg2 s ARG 88 Cb 0.11 -1.29 -0.08 0.00 -0.45 0.00 0.00 34.95 33.23 2wg2 s ARG 88 CO 0.14 -0.06 1.23 -1.91 -0.68 0.00 0.00 175.30 174.03 2wg2 n GLU 89 N -0.78 1.74 -3.37 3.54 2.13 -1.26 -4.53 120.64 118.11 2wg2 n GLU 89 Ca -0.04 0.62 -0.38 0.00 0.66 0.00 0.00 57.16 58.02 2wg2 n GLU 89 Cb 0.66 -2.37 -0.06 0.00 0.27 0.00 0.00 31.44 29.94 2wg2 n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2wg2 s MET 90 N -2.36 4.10 -0.03 5.31 -1.94 -1.26 -1.06 119.30 122.06 2wg2 s MET 90 Ca 0.64 0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 55.03 2wg2 s MET 90 Cb -0.49 -3.25 0.03 0.00 2.01 0.00 0.00 34.83 33.14 2wg2 s MET 90 CO 0.55 0.61 0.38 0.45 -0.01 0.00 0.00 175.02 177.01 2wg2 s SER 91 N -0.93 -0.29 0.55 3.03 0.15 0.30 -4.90 113.70 111.62 2wg2 s SER 91 Ca 0.27 0.24 0.33 0.00 0.70 0.00 0.00 55.95 57.48 2wg2 s SER 91 Cb -0.18 0.38 1.48 0.00 -1.71 0.00 0.00 66.02 65.99 2wg2 s SER 91 CO 0.16 -0.46 2.04 -0.33 1.20 0.00 0.00 173.24 175.84 2wg2 h GLU 92 N 3.78 0.00 -5.71 5.44 5.08 -1.94 -3.23 114.58 118.00 2wg2 h GLU 92 Ca -0.29 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.42 2wg2 h GLU 92 Cb 1.17 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 2wg2 h GLU 92 CO 0.39 0.05 1.59 0.34 -1.00 0.00 0.00 179.01 180.38 2wg2 s ASP 93 N -5.75 6.69 0.00 1.42 -1.08 -1.26 -4.23 116.67 112.46 2wg2 s ASP 93 Ca -0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 52.55 50.00 2wg2 s ASP 93 Cb 0.10 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 2wg2 s ASP 93 CO 0.54 -1.25 0.48 0.00 0.52 0.00 0.00 175.17 175.47 2wg2 s LEU 95 N 0.00 5.25 0.07 0.00 1.43 -1.26 -4.71 118.68 119.46 2wg2 s LEU 95 Ca 0.00 -2.36 0.01 0.00 -1.03 0.00 0.00 54.13 50.75 2wg2 s LEU 95 Cb 0.00 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2wg2 s LEU 95 CO 0.00 -0.92 -0.05 -0.31 0.23 0.00 0.00 176.35 175.29 2wg2 s TYR 96 N 2.09 0.71 0.18 0.29 1.51 -1.26 -2.61 117.35 118.25 2wg2 s TYR 96 Ca 0.34 -0.88 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 2wg2 s TYR 96 Cb -0.05 -0.44 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 2wg2 s TYR 96 CO -0.07 -0.21 -0.07 -0.48 -1.11 0.00 0.00 175.55 173.60 2wg2 s LEU 97 N -2.70 2.43 -0.01 -1.29 0.05 0.58 -2.92 118.68 114.83 2wg2 s LEU 97 Ca 0.05 -1.08 0.06 0.00 0.05 0.00 0.00 54.13 53.21 2wg2 s LEU 97 Cb 0.03 -0.36 -0.01 0.00 -2.05 0.00 0.00 46.19 43.79 2wg2 s LEU 97 CO -0.05 -0.37 -0.18 0.20 -0.55 0.00 0.00 176.35 175.40 2wg2 s ASN 98 N -3.23 2.10 -0.06 1.48 0.01 0.03 -1.19 114.94 114.08 2wg2 s ASN 98 Ca 0.21 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 2wg2 s ASN 98 Cb 0.03 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.49 2wg2 s ASN 98 CO 0.04 0.21 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.13 2wg2 s ILE 99 N -0.47 0.82 -0.17 0.60 1.01 0.78 -0.48 121.20 123.29 2wg2 s ILE 99 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2wg2 s ILE 99 Cb -0.07 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 2wg2 s ILE 99 CO -0.00 0.30 0.04 0.26 0.00 0.00 0.00 174.94 175.54 2wg2 s TRP 100 N 1.03 3.21 -0.11 3.97 0.51 0.66 -0.11 118.94 128.10 2wg2 s TRP 100 Ca -0.09 0.02 0.01 0.00 -2.12 0.00 0.00 56.10 53.92 2wg2 s TRP 100 Cb -0.14 -2.04 0.02 0.00 -0.81 0.00 0.00 33.47 30.49 2wg2 s TRP 100 CO -0.00 0.14 -0.13 0.08 -0.51 0.00 0.00 176.95 176.53 2wg2 s VAL 101 N 0.28 1.38 0.71 4.03 1.01 0.53 -1.49 120.40 126.86 2wg2 s VAL 101 Ca 0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.28 2wg2 s VAL 101 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 2wg2 s VAL 101 CO 0.01 0.42 0.62 -2.65 0.00 0.00 0.00 175.10 173.50 2wg2 n PRO 102 N 4.37 0.37 -4.61 2.72 -0.02 -1.26 -1.74 135.00 134.82 2wg2 n PRO 102 Ca -0.18 0.17 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 2wg2 n PRO 102 Cb 0.51 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.92 2wg2 n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wg2 s SER 103 N -1.48 3.02 0.75 2.55 0.15 -1.26 -3.07 113.70 114.37 2wg2 s SER 103 Ca 0.67 -0.58 -0.12 0.00 0.70 0.00 0.00 55.95 56.63 2wg2 s SER 103 Cb -0.36 -1.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.60 2wg2 s SER 103 CO 0.56 0.07 1.10 -2.16 1.20 0.00 0.00 173.24 174.00 2wg2 s PRO 104 N 0.87 2.34 0.06 5.44 0.04 -1.26 -5.00 135.00 137.48 2wg2 s PRO 104 Ca -0.06 1.24 -0.35 0.00 0.04 0.00 0.00 61.00 61.86 2wg2 s PRO 104 Cb -0.15 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2wg2 s PRO 104 CO -0.03 -1.59 1.58 -2.13 0.04 0.00 0.00 177.00 174.88 2wg2 n ARG 105 N -3.29 1.82 -1.19 4.56 0.63 -1.17 -4.96 116.66 113.05 2wg2 n ARG 105 Ca 0.09 0.66 -0.29 0.00 -0.92 0.00 0.00 57.85 57.39 2wg2 n ARG 105 Cb 0.53 -2.40 0.19 0.00 0.45 0.00 0.00 32.46 31.23 2wg2 n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2wg2 s PRO 106 N 1.56 -0.04 -0.25 -0.14 0.02 -1.26 -5.01 135.00 129.88 2wg2 s PRO 106 Ca 0.84 0.28 -0.16 0.00 0.02 0.00 0.00 61.00 61.99 2wg2 s PRO 106 Cb -0.78 -1.70 -0.12 0.00 0.02 0.00 0.00 34.50 31.91 2wg2 s PRO 106 CO 0.45 -2.99 -0.25 1.63 -0.33 0.00 0.00 177.00 175.51 2wg2 n LYS 107 N -4.32 0.57 -2.90 5.54 4.76 -1.25 -4.13 118.16 116.43 2wg2 n LYS 107 Ca 0.08 0.32 -0.13 0.00 -2.87 0.00 0.00 58.31 55.71 2wg2 n LYS 107 Cb 0.58 -1.54 0.01 0.00 -1.84 0.00 0.00 35.03 32.24 2wg2 n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wg2 n SER 108 N -4.33 -2.05 -4.90 4.39 2.88 -1.14 -4.43 113.62 104.04 2wg2 n SER 108 Ca -0.43 -3.05 -0.21 0.00 -1.33 0.00 0.00 58.87 53.85 2wg2 n SER 108 Cb 0.77 1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 65.26 2wg2 n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2wg2 s THR 109 N 0.20 4.20 0.28 2.46 -1.32 -0.29 -4.48 115.64 116.68 2wg2 s THR 109 Ca 0.33 -1.23 -0.30 0.00 -1.21 0.00 0.00 61.69 59.28 2wg2 s THR 109 Cb 0.18 -3.41 -0.13 0.00 -1.51 0.00 0.00 72.50 67.62 2wg2 s THR 109 CO -0.19 -0.24 1.30 0.41 -2.21 0.00 0.00 174.62 173.69 2wg2 n THR 110 N -1.39 1.44 -4.98 5.08 -1.04 -1.26 -0.35 114.28 111.78 2wg2 n THR 110 Ca -0.04 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 2wg2 n THR 110 Cb 0.58 -1.40 -0.14 0.00 -1.82 0.00 0.00 70.33 67.55 2wg2 n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wg2 s VAL 111 N -0.55 2.79 -0.08 12.58 1.01 -0.64 -1.72 120.40 133.79 2wg2 s VAL 111 Ca 0.63 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2wg2 s VAL 111 Cb -0.64 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 33.66 2wg2 s VAL 111 CO 0.55 0.58 -0.16 -0.04 0.00 0.00 0.00 175.10 176.03 2wg2 s MET 112 N -0.45 2.18 -0.21 2.72 -1.94 -0.63 -0.15 119.30 120.83 2wg2 s MET 112 Ca 0.05 -0.57 -0.01 0.00 -1.71 0.00 0.00 55.69 53.45 2wg2 s MET 112 Cb -0.12 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 34.99 2wg2 s MET 112 CO 0.02 0.06 -0.11 0.08 -0.01 0.00 0.00 175.02 175.05 2wg2 s VAL 113 N 0.62 2.68 -0.07 -6.03 1.01 0.11 -0.14 120.40 118.58 2wg2 s VAL 113 Ca -0.15 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2wg2 s VAL 113 Cb -0.16 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2wg2 s VAL 113 CO 0.04 0.39 0.55 0.86 0.00 0.00 0.00 175.10 176.95 2wg2 s TRP 114 N 1.35 3.58 -0.27 5.22 -0.11 0.12 -0.69 118.94 128.14 2wg2 s TRP 114 Ca 0.03 1.05 0.01 0.00 1.22 0.00 0.00 56.10 58.42 2wg2 s TRP 114 Cb -0.15 -2.61 0.05 0.00 -1.50 0.00 0.00 33.47 29.26 2wg2 s TRP 114 CO -0.08 0.22 -0.07 0.42 -4.62 0.00 0.00 176.95 172.82 2wg2 s ILE 115 N 0.38 2.52 0.64 5.86 1.01 0.58 -2.51 121.20 129.67 2wg2 s ILE 115 Ca 0.30 -1.44 -0.17 0.00 0.00 0.00 0.00 60.65 59.35 2wg2 s ILE 115 Cb -0.17 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 2wg2 s ILE 115 CO 0.14 0.01 1.15 -0.72 0.00 0.00 0.00 174.94 175.52 2wg2 s TYR 116 N 1.19 2.47 0.00 3.97 -0.85 -1.26 -3.53 117.35 119.34 2wg2 s TYR 116 Ca -0.06 1.55 0.00 0.00 -0.52 0.00 0.00 57.07 58.05 2wg2 s TYR 116 Cb -0.19 -3.31 0.00 0.00 0.38 0.00 0.00 41.96 38.84 2wg2 s TYR 116 CO -0.04 -1.95 0.00 0.41 -1.52 0.00 0.00 175.55 172.45 2wg2 n GLY 117 N -0.00 1.20 0.00 5.49 0.00 -1.18 -3.29 105.19 107.41 2wg2 n GLY 117 Ca 0.12 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2wg2 n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg2 n GLY 118 N 5.00 1.03 2.57 -0.02 0.00 -1.26 -4.16 105.19 108.36 2wg2 n GLY 118 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wg2 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wg2 n GLY 119 N 0.00 1.60 3.39 -0.02 0.00 -1.26 -1.52 105.19 107.38 2wg2 n GLY 119 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wg2 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wg2 n PHE 120 N -2.65 0.00 0.41 1.61 3.72 -1.26 -4.77 117.46 114.52 2wg2 n PHE 120 Ca -0.22 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.23 2wg2 n PHE 120 Cb 0.69 -1.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.00 2wg2 n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2wg2 n TYR 121 N -2.09 0.00 -3.87 1.38 0.18 -0.58 0.18 117.16 112.37 2wg2 n TYR 121 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 2wg2 n TYR 121 Cb 0.12 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.09 2wg2 n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2wg2 s SER 122 N -1.52 0.17 0.00 9.48 1.04 -0.63 -4.04 113.70 118.20 2wg2 s SER 122 Ca 0.06 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2wg2 s SER 122 Cb 0.07 0.81 0.00 0.00 0.10 0.00 0.00 66.02 67.00 2wg2 s SER 122 CO 0.29 -1.60 0.00 0.61 0.98 0.00 0.00 173.24 173.52 2wg2 n GLY 123 N -0.53 3.75 3.30 7.32 0.00 -1.26 -4.02 105.19 113.75 2wg2 n GLY 123 Ca -0.06 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 2wg2 n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wg2 s SER 124 N 0.00 -0.34 0.15 1.61 0.01 -1.26 -4.64 113.70 109.22 2wg2 s SER 124 Ca 0.00 0.47 0.27 0.00 1.31 0.00 0.00 55.95 58.00 2wg2 s SER 124 Cb 0.00 0.56 0.90 0.00 0.21 0.00 0.00 66.02 67.69 2wg2 s SER 124 CO 0.00 -0.34 1.79 -1.54 0.41 0.00 0.00 173.24 173.57 2wg2 n SER 125 N 1.91 0.59 -0.88 2.44 3.41 -1.26 -4.04 113.62 115.78 2wg2 n SER 125 Ca -0.18 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.08 2wg2 n SER 125 Cb 0.57 -0.65 0.22 0.00 -0.26 0.00 0.00 64.21 64.08 2wg2 n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wg2 n THR 126 N -2.04 0.12 -1.73 6.66 -2.24 -1.26 -4.82 114.28 108.96 2wg2 n THR 126 Ca 0.06 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 2wg2 n THR 126 Cb 0.41 1.13 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 2wg2 n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wg2 n LEU 127 N 1.09 4.81 -0.23 3.22 4.77 -1.26 -4.87 117.00 124.52 2wg2 n LEU 127 Ca 0.16 1.07 0.16 0.00 -0.03 0.00 0.00 56.01 57.37 2wg2 n LEU 127 Cb 0.54 -1.56 0.47 0.00 -2.33 0.00 0.00 43.42 40.54 2wg2 n LEU 127 CO 0.15 -0.48 1.22 0.44 -1.33 0.00 0.00 177.39 177.39 2wg2 h ASP 128 N 1.95 0.48 0.89 -1.43 3.32 -1.93 -0.16 116.42 119.54 2wg2 h ASP 128 Ca -0.50 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2wg2 h ASP 128 Cb 1.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2wg2 h ASP 128 CO 0.59 0.22 0.00 0.55 -1.72 0.00 0.00 179.24 178.88 2wg2 n VAL 129 N -4.53 0.76 -0.51 -1.35 3.14 -1.26 -2.57 118.33 112.01 2wg2 n VAL 129 Ca 0.18 0.10 0.08 0.00 -2.96 0.00 0.00 64.34 61.74 2wg2 n VAL 129 Cb 0.59 -0.98 0.26 0.00 -1.06 0.00 0.00 33.84 32.65 2wg2 n VAL 129 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2wg2 n TYR 130 N -2.14 0.95 -1.59 1.45 4.01 -0.08 -4.68 117.16 115.08 2wg2 n TYR 130 Ca 0.03 -0.61 -0.43 0.00 -0.16 0.00 0.00 57.90 56.73 2wg2 n TYR 130 Cb 0.27 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2wg2 n TYR 130 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wg2 n ASN 131 N 0.63 3.16 0.00 7.72 2.85 -1.06 -4.83 115.26 123.74 2wg2 n ASN 131 Ca 0.20 0.17 0.11 0.00 -0.11 0.00 0.00 54.58 54.95 2wg2 n ASN 131 Cb 0.69 -1.55 0.56 0.00 1.24 0.00 0.00 39.78 40.73 2wg2 n ASN 131 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wg2 n GLY 132 N 5.83 -1.06 0.33 8.20 0.00 -1.26 -4.12 105.19 113.11 2wg2 n GLY 132 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 2wg2 n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wg2 h LYS 133 N 0.00 1.15 -0.36 1.61 2.10 -1.91 -1.67 116.57 117.49 2wg2 h LYS 133 Ca 0.00 -0.10 -0.06 0.00 -2.00 0.00 0.00 60.65 58.50 2wg2 h LYS 133 Cb 0.24 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 2wg2 h LYS 133 CO 0.00 0.80 0.00 1.88 -2.00 0.00 0.00 179.45 180.13 2wg2 h TYR 134 N 1.17 0.70 -0.21 0.07 0.05 -1.79 -0.17 116.97 116.79 2wg2 h TYR 134 Ca 0.31 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.90 2wg2 h TYR 134 Cb -0.07 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.48 2wg2 h TYR 134 CO -0.00 0.74 -0.16 1.25 -1.05 0.00 0.00 178.16 178.94 2wg2 h LEU 135 N 0.46 0.50 -0.28 3.88 5.85 -1.69 -0.19 115.31 123.84 2wg2 h LEU 135 Ca 0.10 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2wg2 h LEU 135 Cb 0.45 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2wg2 h LEU 135 CO 0.02 0.84 0.18 0.00 -0.34 0.00 0.00 178.44 179.14 2wg2 h ALA 136 N 0.67 0.35 -0.03 1.25 0.00 -1.25 -0.93 119.26 119.33 2wg2 h ALA 136 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wg2 h ALA 136 Cb 0.68 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wg2 h ALA 136 CO 0.04 -0.18 0.01 -0.92 0.00 0.00 0.00 179.25 178.19 2wg2 h TYR 137 N 0.37 0.05 -0.17 0.00 3.20 -1.00 -0.46 116.97 118.95 2wg2 h TYR 137 Ca 0.10 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.84 2wg2 h TYR 137 Cb -0.03 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2wg2 h TYR 137 CO -0.06 0.27 -0.40 1.15 -1.64 0.00 0.00 178.16 177.48 2wg2 h THR 138 N -0.18 1.34 -0.03 1.81 2.02 -0.91 -3.27 112.91 113.69 2wg2 h THR 138 Ca 0.01 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.54 2wg2 h THR 138 Cb 0.24 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2wg2 h THR 138 CO 0.00 0.51 -0.12 -0.62 0.37 0.00 0.00 175.52 175.65 2wg2 n GLU 139 N -4.27 2.00 -3.43 6.66 -0.58 -0.36 -4.99 120.64 115.66 2wg2 n GLU 139 Ca -0.06 -1.66 -0.17 0.00 -0.42 0.00 0.00 57.16 54.84 2wg2 n GLU 139 Cb 0.54 -1.45 0.09 0.00 -0.57 0.00 0.00 31.44 30.04 2wg2 n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2wg2 n GLU 140 N 0.97 -6.31 -4.37 3.49 1.02 -0.20 -5.02 120.64 110.21 2wg2 n GLU 140 Ca 0.12 0.84 -0.25 0.00 -0.02 0.00 0.00 57.16 57.86 2wg2 n GLU 140 Cb 0.55 -5.83 -0.09 0.00 -0.02 0.00 0.00 31.44 26.05 2wg2 n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wg2 s VAL 141 N -3.38 2.93 -0.28 2.62 -7.23 -1.11 -4.70 120.40 109.24 2wg2 s VAL 141 Ca 0.02 -2.06 -0.24 0.00 -1.81 0.00 0.00 61.98 57.89 2wg2 s VAL 141 Cb -0.00 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2wg2 s VAL 141 CO 0.73 -0.30 0.83 -0.69 -0.31 0.00 0.00 175.10 175.36 2wg2 s VAL 142 N -2.20 4.78 -0.23 1.32 1.01 -0.70 -4.36 120.40 120.02 2wg2 s VAL 142 Ca 0.28 1.39 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 2wg2 s VAL 142 Cb -0.07 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2wg2 s VAL 142 CO 0.16 -0.20 0.04 -0.22 0.00 0.00 0.00 175.10 174.87 2wg2 s LEU 143 N 2.98 3.32 -0.05 3.92 1.98 -0.55 -1.60 118.68 128.68 2wg2 s LEU 143 Ca 0.35 -0.23 0.03 0.00 -2.89 0.00 0.00 54.13 51.39 2wg2 s LEU 143 Cb -0.14 -1.87 -0.03 0.00 0.66 0.00 0.00 46.19 44.81 2wg2 s LEU 143 CO 0.11 -0.01 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.75 2wg2 s VAL 144 N 1.43 3.25 -0.10 1.68 1.01 0.80 -0.25 120.40 128.22 2wg2 s VAL 144 Ca 0.05 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2wg2 s VAL 144 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2wg2 s VAL 144 CO 0.02 0.59 -0.23 -0.94 0.00 0.00 0.00 175.10 174.54 2wg2 s SER 145 N -0.77 2.99 0.59 3.32 1.04 0.37 0.13 113.70 121.37 2wg2 s SER 145 Ca 0.12 -0.55 0.10 0.00 0.48 0.00 0.00 55.95 56.10 2wg2 s SER 145 Cb -0.11 -1.37 0.09 0.00 0.10 0.00 0.00 66.02 64.74 2wg2 s SER 145 CO 0.01 0.13 0.81 -1.48 0.98 0.00 0.00 173.24 173.70 2wg2 s LEU 146 N 0.46 3.05 0.22 2.42 0.05 -1.05 -0.79 118.68 123.04 2wg2 s LEU 146 Ca -0.16 -0.89 0.00 0.00 0.05 0.00 0.00 54.13 53.13 2wg2 s LEU 146 Cb -0.17 -1.53 -0.05 0.00 -2.05 0.00 0.00 46.19 42.39 2wg2 s LEU 146 CO 0.07 -1.40 0.10 -0.94 -0.55 0.00 0.00 176.35 173.63 2wg2 s SER 147 N -4.70 0.74 -0.08 1.48 1.04 -1.15 -4.56 113.70 106.48 2wg2 s SER 147 Ca 0.63 -1.36 -0.31 0.00 0.48 0.00 0.00 55.95 55.39 2wg2 s SER 147 Cb -0.05 0.25 0.09 0.00 0.10 0.00 0.00 66.02 66.40 2wg2 s SER 147 CO 0.40 -0.76 0.78 -0.72 0.98 0.00 0.00 173.24 173.91 2wg2 s TYR 148 N -3.92 -0.57 0.32 5.02 1.13 -1.26 -4.40 117.35 113.67 2wg2 s TYR 148 Ca 0.37 0.96 -0.29 0.00 -1.41 0.00 0.00 57.07 56.70 2wg2 s TYR 148 Cb 0.07 0.43 -0.10 0.00 -1.10 0.00 0.00 41.96 41.26 2wg2 s TYR 148 CO 0.12 -0.53 1.33 1.03 -2.51 0.00 0.00 175.55 174.98 2wg2 s ARG 149 N -1.23 4.34 0.46 -3.49 0.52 -1.26 -4.89 118.95 113.40 2wg2 s ARG 149 Ca -0.08 2.24 0.04 0.00 -0.52 0.00 0.00 55.73 57.41 2wg2 s ARG 149 Cb -0.00 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 2wg2 s ARG 149 CO 0.07 -0.23 0.01 0.14 0.02 0.00 0.00 175.30 175.31 2wg2 s VAL 150 N -0.98 1.56 0.00 3.52 -7.23 -1.26 -4.12 120.40 111.89 2wg2 s VAL 150 Ca 0.50 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2wg2 s VAL 150 Cb -0.40 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 33.98 2wg2 s VAL 150 CO 0.52 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 2wg2 n GLY 151 N -1.13 0.92 0.33 2.32 0.00 0.13 -2.45 105.19 105.31 2wg2 n GLY 151 Ca -0.12 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.24 2wg2 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg2 h ALA 152 N -0.95 1.64 -0.37 4.61 0.00 -1.89 -0.90 119.26 121.40 2wg2 h ALA 152 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wg2 h ALA 152 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2wg2 h ALA 152 CO 0.00 0.32 0.25 0.74 0.00 0.00 0.00 179.25 180.56 2wg2 h PHE 153 N 0.73 0.27 0.00 0.00 -1.00 -1.90 -1.74 116.94 113.30 2wg2 h PHE 153 Ca 0.22 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.91 2wg2 h PHE 153 Cb -0.01 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 2wg2 h PHE 153 CO -0.00 0.15 -1.99 0.41 -1.61 0.00 0.00 178.31 175.26 2wg2 n GLY 154 N -1.53 -1.04 0.00 -1.45 0.00 -0.85 -4.19 105.19 96.13 2wg2 n GLY 154 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2wg2 n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wg2 n PHE 155 N -2.44 0.00 -1.68 1.61 3.72 -0.40 -0.98 117.46 117.30 2wg2 n PHE 155 Ca -0.11 -0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.83 2wg2 n PHE 155 Cb 0.72 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.22 2wg2 n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2wg2 n LEU 156 N -0.00 3.36 -3.95 4.37 7.94 -0.67 -4.36 117.00 123.68 2wg2 n LEU 156 Ca 0.00 1.03 -0.30 0.00 -1.11 0.00 0.00 56.01 55.63 2wg2 n LEU 156 Cb 0.28 -1.42 -0.16 0.00 0.53 0.00 0.00 43.42 42.65 2wg2 n LEU 156 CO 0.00 -0.14 -0.45 0.00 -1.11 0.00 0.00 177.39 175.70 2wg2 s ALA 157 N 2.39 1.78 -0.71 1.96 0.00 -1.26 -3.17 121.76 122.75 2wg2 s ALA 157 Ca 0.85 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.81 2wg2 s ALA 157 Cb -0.66 -1.21 0.17 0.00 0.00 0.00 0.00 23.12 21.43 2wg2 s ALA 157 CO 0.43 -0.79 0.51 -0.51 0.00 0.00 0.00 175.76 175.40 2wg2 s LEU 158 N 1.50 4.88 0.24 0.00 1.43 0.44 -2.69 118.68 124.48 2wg2 s LEU 158 Ca -0.00 -3.74 -0.31 0.00 -1.03 0.00 0.00 54.13 49.04 2wg2 s LEU 158 Cb -0.16 -1.68 -0.12 0.00 0.03 0.00 0.00 46.19 44.27 2wg2 s LEU 158 CO -0.08 -0.12 1.68 1.57 0.23 0.00 0.00 176.35 179.64 2wg2 n HIS 159 N 2.15 2.81 0.00 0.29 -0.00 -1.26 -0.92 115.22 118.28 2wg2 n HIS 159 Ca 0.18 0.11 0.00 0.00 -0.00 0.00 0.00 57.72 58.01 2wg2 n HIS 159 Cb 0.35 -2.65 0.00 0.00 -0.00 0.00 0.00 29.99 27.69 2wg2 n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wg2 n GLY 160 N 3.33 2.44 3.84 1.57 0.00 -1.26 -5.07 105.19 110.04 2wg2 n GLY 160 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2wg2 n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wg2 s SER 161 N -0.67 6.86 -0.00 1.61 0.15 -0.10 -4.97 113.70 116.58 2wg2 s SER 161 Ca 0.00 1.34 0.22 0.00 0.70 0.00 0.00 55.95 58.21 2wg2 s SER 161 Cb 0.00 -2.39 -0.17 0.00 -1.71 0.00 0.00 66.02 61.74 2wg2 s SER 161 CO 0.00 -0.15 0.88 0.00 1.20 0.00 0.00 173.24 175.17 2wg2 n GLN 162 N -0.07 0.13 0.04 5.44 1.13 -1.26 -3.71 117.38 119.08 2wg2 n GLN 162 Ca 0.02 -0.03 -0.12 0.00 -1.94 0.00 0.00 57.00 54.92 2wg2 n GLN 162 Cb 0.53 -1.51 -0.14 0.00 0.11 0.00 0.00 30.24 29.23 2wg2 n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2wg2 h GLU 163 N 0.00 0.13 -2.01 -1.09 4.39 -1.93 -3.41 114.58 110.67 2wg2 h GLU 163 Ca 0.00 -0.22 -0.56 0.00 0.34 0.00 0.00 59.36 58.92 2wg2 h GLU 163 Cb 0.60 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 28.94 2wg2 h GLU 163 CO 0.00 0.95 -1.09 0.00 -1.16 0.00 0.00 179.01 177.71 2wg2 n ALA 164 N -2.56 2.48 0.62 3.43 0.00 -1.26 -3.18 120.51 120.04 2wg2 n ALA 164 Ca -0.12 -3.45 0.13 0.00 0.00 0.00 0.00 53.44 50.00 2wg2 n ALA 164 Cb 1.02 -0.82 0.44 0.00 0.00 0.00 0.00 19.45 20.09 2wg2 n ALA 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wg2 n PRO 165 N 1.35 0.23 0.00 0.00 -0.04 -1.24 -0.42 135.00 134.88 2wg2 n PRO 165 Ca 0.21 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2wg2 n PRO 165 Cb 0.53 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 2wg2 n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wg2 n GLY 166 N 1.11 0.70 2.80 0.55 0.00 -1.19 -4.47 105.19 104.69 2wg2 n GLY 166 Ca 0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 2wg2 n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wg2 n ASN 167 N -0.58 -5.44 0.18 1.61 3.02 -1.26 -4.86 115.26 107.93 2wg2 n ASN 167 Ca 0.00 0.02 0.03 0.00 -0.03 0.00 0.00 54.58 54.60 2wg2 n ASN 167 Cb 0.00 -3.03 0.38 0.00 -0.61 0.00 0.00 39.78 36.52 2wg2 n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2wg2 h VAL 168 N 0.00 1.23 -0.44 2.41 -1.51 -1.72 -0.99 116.25 115.23 2wg2 h VAL 168 Ca -0.02 -1.10 -0.05 0.00 -1.23 0.00 0.00 66.70 64.29 2wg2 h VAL 168 Cb 0.84 1.57 -0.02 0.00 -2.13 0.00 0.00 31.29 31.54 2wg2 h VAL 168 CO 0.03 0.32 0.06 1.23 -1.23 0.00 0.00 177.57 177.98 2wg2 h GLY 169 N 0.96 0.73 1.46 5.19 0.00 -1.25 0.34 103.07 110.50 2wg2 h GLY 169 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 2wg2 h GLY 169 CO 0.04 0.40 -0.31 1.41 0.00 0.00 0.00 176.54 178.09 2wg2 h LEU 170 N 0.66 0.64 -0.90 3.11 3.38 -1.49 -2.04 115.31 118.67 2wg2 h LEU 170 Ca 0.14 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2wg2 h LEU 170 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2wg2 h LEU 170 CO 0.01 0.90 -0.43 -0.07 0.09 0.00 0.00 178.44 178.94 2wg2 h LEU 171 N 0.53 0.28 -0.32 1.67 3.38 -0.63 -1.09 115.31 119.14 2wg2 h LEU 171 Ca 0.06 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wg2 h LEU 171 Cb 0.79 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2wg2 h LEU 171 CO 0.06 0.68 0.14 0.44 0.09 0.00 0.00 178.44 179.85 2wg2 h ASP 172 N 0.22 0.19 -0.49 -0.43 3.32 -0.14 -0.03 116.42 119.07 2wg2 h ASP 172 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2wg2 h ASP 172 Cb 0.85 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2wg2 h ASP 172 CO 0.07 0.15 0.32 1.56 -1.72 0.00 0.00 179.24 179.62 2wg2 h GLN 173 N 0.30 0.65 -0.80 3.56 4.20 -1.02 -1.88 115.11 120.13 2wg2 h GLN 173 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2wg2 h GLN 173 Cb 0.07 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 2wg2 h GLN 173 CO -0.11 0.44 0.49 -0.09 -0.67 0.00 0.00 178.83 178.89 2wg2 h ARG 174 N 0.67 1.08 -0.60 1.46 2.43 -0.93 -1.15 114.38 117.33 2wg2 h ARG 174 Ca 0.18 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2wg2 h ARG 174 Cb -0.07 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.22 2wg2 h ARG 174 CO -0.04 0.75 0.16 1.98 -1.51 0.00 0.00 179.97 181.31 2wg2 h MET 175 N 1.09 0.93 -0.64 0.20 4.05 -0.69 0.28 114.93 120.15 2wg2 h MET 175 Ca 0.29 -0.19 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 2wg2 h MET 175 Cb -0.06 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.57 2wg2 h MET 175 CO -0.06 0.82 0.24 0.00 0.23 0.00 0.00 176.91 178.15 2wg2 h ALA 176 N 1.28 0.84 -0.58 0.39 0.00 -1.04 -0.89 119.26 119.27 2wg2 h ALA 176 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wg2 h ALA 176 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2wg2 h ALA 176 CO -0.00 0.47 0.21 -0.07 0.00 0.00 0.00 179.25 179.86 2wg2 h LEU 177 N 0.91 0.77 -0.49 0.00 3.38 -0.32 -1.28 115.31 118.28 2wg2 h LEU 177 Ca 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wg2 h LEU 177 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2wg2 h LEU 177 CO -0.01 0.71 0.25 -0.61 0.09 0.00 0.00 178.44 178.86 2wg2 h GLN 178 N 0.83 0.70 -0.70 1.13 5.75 -0.19 0.40 115.11 123.03 2wg2 h GLN 178 Ca 0.19 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 2wg2 h GLN 178 Cb 0.19 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2wg2 h GLN 178 CO -0.02 0.57 0.25 2.35 -2.65 0.00 0.00 178.83 179.34 2wg2 h TRP 179 N 0.65 1.09 -0.23 3.99 7.01 -0.83 -0.38 115.95 127.25 2wg2 h TRP 179 Ca 0.17 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2wg2 h TRP 179 Cb 0.09 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 2wg2 h TRP 179 CO -0.01 0.86 0.10 0.28 -2.79 0.00 0.00 178.44 176.88 2wg2 h VAL 180 N 1.01 1.16 -0.60 2.65 2.07 -1.06 0.05 116.25 121.53 2wg2 h VAL 180 Ca 0.23 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.37 2wg2 h VAL 180 Cb 0.26 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 2wg2 h VAL 180 CO -0.01 0.16 0.18 -0.74 0.02 0.00 0.00 177.57 177.18 2wg2 h HIS 181 N 0.22 0.30 0.00 1.57 -0.00 -0.48 -0.25 115.15 116.51 2wg2 h HIS 181 Ca 0.08 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.40 2wg2 h HIS 181 Cb 0.16 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 2wg2 h HIS 181 CO -0.01 0.04 -0.36 -0.44 -0.00 0.00 0.00 177.93 177.15 2wg2 h ASP 182 N 0.33 0.00 0.00 3.26 3.32 -0.82 -3.40 116.42 119.11 2wg2 h ASP 182 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2wg2 h ASP 182 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2wg2 h ASP 182 CO -0.35 0.36 -0.23 0.59 -1.72 0.00 0.00 179.24 177.89 2wg2 n ASN 183 N -3.24 1.16 0.27 6.45 3.02 -0.02 -4.79 115.26 118.11 2wg2 n ASN 183 Ca 0.02 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.52 2wg2 n ASN 183 Cb 0.64 0.58 0.74 0.00 -0.61 0.00 0.00 39.78 41.13 2wg2 n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2wg2 h ILE 184 N 0.00 0.63 -0.55 2.41 6.09 -1.20 -2.01 117.51 122.88 2wg2 h ILE 184 Ca 0.00 -0.41 0.10 0.00 -1.37 0.00 0.00 64.86 63.18 2wg2 h ILE 184 Cb 0.00 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.51 2wg2 h ILE 184 CO 0.00 0.10 0.37 0.06 -3.07 0.00 0.00 178.15 175.61 2wg2 h GLN 185 N 0.00 0.33 0.00 2.19 3.07 -1.79 -0.03 115.11 118.88 2wg2 h GLN 185 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 2wg2 h GLN 185 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.73 2wg2 h GLN 185 CO 0.01 0.22 0.00 0.74 0.09 0.00 0.00 178.83 179.89 2wg2 h PHE 186 N 0.34 0.00 -0.21 0.06 0.04 -1.64 -1.65 116.94 113.88 2wg2 h PHE 186 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2wg2 h PHE 186 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2wg2 h PHE 186 CO -0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 2wg2 n PHE 187 N -3.02 0.26 -0.46 -0.55 3.01 -0.38 -4.87 117.46 111.44 2wg2 n PHE 187 Ca 0.01 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2wg2 n PHE 187 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 2wg2 n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wg2 n GLY 188 N 1.28 0.76 3.89 1.37 0.00 -0.62 -4.55 105.19 107.31 2wg2 n GLY 188 Ca 0.17 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2wg2 n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wg2 s GLY 189 N -2.10 2.16 -0.44 -0.02 0.00 -0.17 -1.14 107.32 105.61 2wg2 s GLY 189 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 2wg2 s GLY 189 CO 0.00 -0.28 0.51 -0.35 0.00 0.00 0.00 173.10 172.97 2wg2 s ASP 190 N -2.59 6.23 0.05 1.64 2.15 0.52 -3.11 116.67 121.57 2wg2 s ASP 190 Ca 0.45 -0.65 0.11 0.00 0.43 0.00 0.00 52.55 52.90 2wg2 s ASP 190 Cb -0.11 -2.25 0.49 0.00 -0.30 0.00 0.00 42.92 40.75 2wg2 s ASP 190 CO 0.24 -0.67 1.35 -0.81 -0.17 0.00 0.00 175.17 175.12 2wg2 n PRO 191 N 5.81 0.03 0.00 4.34 -0.04 -1.26 -1.53 135.00 142.35 2wg2 n PRO 191 Ca -0.06 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 63.91 2wg2 n PRO 191 Cb 0.47 -1.57 0.39 0.00 -0.04 0.00 0.00 33.50 32.76 2wg2 n PRO 191 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wg2 n LYS 192 N -1.63 1.10 -2.99 0.54 4.76 -1.26 -4.31 118.16 114.37 2wg2 n LYS 192 Ca 0.02 -0.67 -0.21 0.00 -2.87 0.00 0.00 58.31 54.58 2wg2 n LYS 192 Cb 0.11 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 2wg2 n LYS 192 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2wg2 n THR 193 N -0.37 1.35 -3.61 -0.18 -1.04 -0.58 -4.71 114.28 105.14 2wg2 n THR 193 Ca 0.14 -4.85 -0.37 0.00 -2.04 0.00 0.00 64.05 56.93 2wg2 n THR 193 Cb 0.36 -0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 68.10 2wg2 n THR 193 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wg2 s VAL 194 N -3.50 5.33 -0.23 12.58 1.01 -1.26 -1.62 120.40 132.71 2wg2 s VAL 194 Ca 0.43 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 2wg2 s VAL 194 Cb 0.34 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2wg2 s VAL 194 CO -0.10 0.31 0.11 -0.89 0.00 0.00 0.00 175.10 174.53 2wg2 s THR 195 N 1.26 4.90 -0.02 3.92 2.01 0.79 -0.66 115.64 127.84 2wg2 s THR 195 Ca 0.09 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 61.92 2wg2 s THR 195 Cb -0.14 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 2wg2 s THR 195 CO 0.06 0.36 0.54 0.27 -0.69 0.00 0.00 174.62 175.16 2wg2 s ILE 196 N 1.15 4.96 0.01 1.82 -4.36 -0.85 0.04 121.20 123.97 2wg2 s ILE 196 Ca 0.06 1.13 -0.01 0.00 -0.26 0.00 0.00 60.65 61.57 2wg2 s ILE 196 Cb -0.14 -3.88 -0.01 0.00 1.25 0.00 0.00 42.46 39.68 2wg2 s ILE 196 CO 0.04 0.44 -0.00 0.72 0.24 0.00 0.00 174.94 176.38 2wg2 s PHE 197 N -0.25 0.15 0.10 1.37 -0.71 0.13 -0.69 117.98 118.07 2wg2 s PHE 197 Ca 0.29 -0.30 -0.25 0.00 -1.04 0.00 0.00 56.93 55.62 2wg2 s PHE 197 Cb -0.18 -0.11 0.08 0.00 -1.21 0.00 0.00 43.02 41.61 2wg2 s PHE 197 CO 0.16 -0.13 0.72 0.20 -1.34 0.00 0.00 175.22 174.82 2wg2 s GLY 198 N -0.93 -0.55 -0.01 1.99 0.00 -1.13 -0.31 107.32 106.39 2wg2 s GLY 198 Ca -0.10 0.69 0.08 0.00 0.00 0.00 0.00 44.72 45.38 2wg2 s GLY 198 CO -0.00 0.23 -0.25 1.85 0.00 0.00 0.00 173.10 174.92 2wg2 s GLU 199 N -3.50 2.06 7.74 2.90 -6.30 -1.23 -1.18 118.70 119.19 2wg2 s GLU 199 Ca 0.03 -0.96 0.00 0.00 -2.50 0.00 0.00 54.97 51.54 2wg2 s GLU 199 Cb -0.01 -2.05 0.00 0.00 0.00 0.00 0.00 34.13 32.07 2wg2 s GLU 199 CO -0.11 0.55 0.00 0.45 0.02 0.00 0.00 175.26 176.17 2wg2 n SER 200 N 2.26 0.00 0.10 -1.70 2.88 0.86 -0.70 113.62 117.33 2wg2 n SER 200 Ca -0.16 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.52 2wg2 n SER 200 Cb 0.51 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.62 2wg2 n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wg2 h ALA 201 N -0.93 2.24 -0.21 -1.46 0.00 -1.87 0.10 119.26 117.14 2wg2 h ALA 201 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2wg2 h ALA 201 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2wg2 h ALA 201 CO 0.00 -0.33 -0.37 0.78 0.00 0.00 0.00 179.25 179.34 2wg2 h GLY 202 N 0.04 0.49 0.77 0.00 0.00 -0.90 0.33 103.07 103.81 2wg2 h GLY 202 Ca 0.15 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2wg2 h GLY 202 CO -0.01 0.42 -0.07 -1.33 0.00 0.00 0.00 176.54 175.55 2wg2 h GLY 203 N 1.10 0.38 0.35 4.60 0.00 -1.02 -0.85 103.07 107.63 2wg2 h GLY 203 Ca 0.04 -0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.11 2wg2 h GLY 203 CO 0.07 0.31 -0.00 0.00 0.00 0.00 0.00 176.54 176.91 2wg2 h ALA 204 N 0.69 0.36 -0.30 3.60 0.00 -0.83 -2.17 119.26 120.61 2wg2 h ALA 204 Ca 0.04 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2wg2 h ALA 204 Cb 0.54 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2wg2 h ALA 204 CO 0.02 -0.40 0.02 0.77 0.00 0.00 0.00 179.25 179.66 2wg2 h SER 205 N 0.10 -0.08 -0.49 0.00 0.02 -0.81 0.28 113.55 112.57 2wg2 h SER 205 Ca 0.20 0.06 0.10 0.00 -0.84 0.00 0.00 61.79 61.31 2wg2 h SER 205 Cb 0.28 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.83 2wg2 h SER 205 CO -0.33 -0.01 -0.07 0.58 -1.14 0.00 0.00 176.83 175.87 2wg2 h VAL 206 N 0.11 0.55 -0.58 2.27 2.07 -0.89 -0.18 116.25 119.61 2wg2 h VAL 206 Ca 0.14 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2wg2 h VAL 206 Cb 0.18 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2wg2 h VAL 206 CO -0.23 0.01 0.38 1.23 0.02 0.00 0.00 177.57 178.99 2wg2 h GLY 207 N 0.05 0.80 1.56 2.17 0.00 -0.72 -1.40 103.07 105.52 2wg2 h GLY 207 Ca 0.24 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2wg2 h GLY 207 CO -0.47 0.27 -0.36 -0.33 0.00 0.00 0.00 176.54 175.65 2wg2 h MET 208 N 0.74 0.49 -0.03 4.80 2.86 0.45 -1.46 114.93 122.77 2wg2 h MET 208 Ca 0.22 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 2wg2 h MET 208 Cb -0.02 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2wg2 h MET 208 CO -0.05 0.78 -0.61 0.45 1.06 0.00 0.00 176.91 178.54 2wg2 h HIS 209 N 0.41 0.15 -0.71 -0.22 3.86 -0.48 0.07 115.15 118.23 2wg2 h HIS 209 Ca 0.04 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2wg2 h HIS 209 Cb 0.83 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 2wg2 h HIS 209 CO 0.03 0.70 0.47 0.82 0.86 0.00 0.00 177.93 180.80 2wg2 h ILE 210 N 0.08 1.17 -0.01 2.45 2.04 -0.94 -3.25 117.51 119.05 2wg2 h ILE 210 Ca -0.01 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2wg2 h ILE 210 Cb 1.10 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2wg2 h ILE 210 CO 0.09 0.17 -0.39 -0.07 0.00 0.00 0.00 178.15 177.96 2wg2 h LEU 211 N 0.95 0.36 -9.14 1.44 3.38 -1.01 -0.40 115.31 110.89 2wg2 h LEU 211 Ca 0.26 -0.75 -0.56 0.00 0.09 0.00 0.00 57.88 56.93 2wg2 h LEU 211 Cb -0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2wg2 h LEU 211 CO -0.06 1.06 1.08 -0.55 0.09 0.00 0.00 178.44 180.06 2wg2 s SER 212 N -6.48 6.57 0.35 -0.43 0.15 -0.01 -4.63 113.70 109.22 2wg2 s SER 212 Ca -0.15 1.88 0.13 0.00 0.70 0.00 0.00 55.95 58.52 2wg2 s SER 212 Cb 0.02 -2.53 0.97 0.00 -1.71 0.00 0.00 66.02 62.77 2wg2 s SER 212 CO 0.77 -1.06 1.75 -0.65 1.20 0.00 0.00 173.24 175.25 2wg2 h PRO 213 N 9.94 0.49 0.00 5.44 0.11 -1.88 0.42 132.00 146.52 2wg2 h PRO 213 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2wg2 h PRO 213 Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wg2 h PRO 213 CO 0.98 0.33 0.00 0.41 -0.21 0.00 0.00 178.00 179.50 2wg2 n GLY 214 N -1.38 -1.01 0.04 -0.55 0.00 -1.26 -3.26 105.19 97.77 2wg2 n GLY 214 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2wg2 n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wg2 n SER 215 N -1.43 2.41 -0.34 1.61 7.64 0.09 -4.80 113.62 118.80 2wg2 n SER 215 Ca 0.05 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.10 2wg2 n SER 215 Cb 0.18 1.01 0.39 0.00 -1.01 0.00 0.00 64.21 64.77 2wg2 n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wg2 h ARG 216 N 0.00 0.60 0.00 1.43 3.08 -1.42 -1.48 114.38 116.58 2wg2 h ARG 216 Ca -0.19 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2wg2 h ARG 216 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2wg2 h ARG 216 CO 0.01 0.40 0.00 -0.25 -1.07 0.00 0.00 179.97 179.06 2wg2 n ASP 217 N -4.76 0.00 -0.59 7.04 8.00 -1.26 -3.71 116.55 121.27 2wg2 n ASP 217 Ca 0.25 0.18 0.12 0.00 0.71 0.00 0.00 54.79 56.04 2wg2 n ASP 217 Cb 0.69 -0.38 0.40 0.00 -0.02 0.00 0.00 41.12 41.81 2wg2 n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wg2 n LEU 218 N -1.38 1.80 -3.85 0.64 4.77 -0.56 -4.92 117.00 113.50 2wg2 n LEU 218 Ca 0.09 -0.70 -0.09 0.00 -0.03 0.00 0.00 56.01 55.29 2wg2 n LEU 218 Cb 0.24 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2wg2 n LEU 218 CO 0.21 0.35 0.24 0.72 -1.33 0.00 0.00 177.39 177.57 2wg2 s PHE 219 N -1.85 0.07 -0.27 -1.77 -0.71 -1.24 -4.82 117.98 107.39 2wg2 s PHE 219 Ca 0.34 -0.43 -0.11 0.00 -1.04 0.00 0.00 56.93 55.70 2wg2 s PHE 219 Cb 0.19 0.32 -0.14 0.00 -1.21 0.00 0.00 43.02 42.18 2wg2 s PHE 219 CO 0.29 -0.96 -0.27 -2.13 -1.34 0.00 0.00 175.22 170.82 2wg2 n ARG 220 N -0.35 0.61 -3.67 1.99 3.00 0.16 -4.96 116.66 113.43 2wg2 n ARG 220 Ca -0.07 0.26 -0.11 0.00 -0.00 0.00 0.00 57.85 57.93 2wg2 n ARG 220 Cb 0.62 -1.52 -0.01 0.00 0.00 0.00 0.00 32.46 31.55 2wg2 n ARG 220 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2wg2 n ARG 221 N -4.01 0.78 -3.70 -0.14 1.85 -1.11 -4.67 116.66 105.67 2wg2 n ARG 221 Ca -0.51 -2.36 -0.14 0.00 -1.00 0.00 0.00 57.85 53.84 2wg2 n ARG 221 Cb 0.90 2.48 -0.09 0.00 -1.05 0.00 0.00 32.46 34.71 2wg2 n ARG 221 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wg2 s ALA 222 N -2.42 -1.13 -0.06 2.89 0.00 -1.20 -2.00 121.76 117.84 2wg2 s ALA 222 Ca 0.22 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.26 2wg2 s ALA 222 Cb -0.02 -0.45 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2wg2 s ALA 222 CO 0.16 -0.25 -0.15 0.42 0.00 0.00 0.00 175.76 175.94 2wg2 s ILE 223 N -0.34 1.32 -0.17 0.00 1.01 0.13 -1.97 121.20 121.18 2wg2 s ILE 223 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2wg2 s ILE 223 Cb -0.03 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.30 2wg2 s ILE 223 CO 0.03 0.39 -0.13 -0.76 0.00 0.00 0.00 174.94 174.46 2wg2 s LEU 224 N 0.40 1.92 -0.29 2.97 1.02 -0.30 -2.85 118.68 121.56 2wg2 s LEU 224 Ca -0.11 -0.63 -0.07 0.00 0.02 0.00 0.00 54.13 53.34 2wg2 s LEU 224 Cb -0.14 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.84 2wg2 s LEU 224 CO 0.04 -0.08 0.09 -1.10 0.02 0.00 0.00 176.35 175.31 2wg2 s GLN 225 N 1.44 3.21 -1.52 1.70 -0.21 -0.32 -2.40 119.66 121.56 2wg2 s GLN 225 Ca 0.03 -0.78 -0.11 0.00 0.02 0.00 0.00 55.36 54.52 2wg2 s GLN 225 Cb -0.14 -3.38 0.08 0.00 1.00 0.00 0.00 33.01 30.57 2wg2 s GLN 225 CO -0.10 -0.40 0.82 0.43 -2.12 0.00 0.00 175.29 173.92 2wg2 n SER 226 N 4.89 -3.32 -3.60 5.90 7.64 0.06 -0.10 113.62 125.09 2wg2 n SER 226 Ca -0.15 -0.87 -0.10 0.00 1.01 0.00 0.00 58.87 58.77 2wg2 n SER 226 Cb 0.49 -3.55 -0.06 0.00 -1.01 0.00 0.00 64.21 60.08 2wg2 n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wg2 s GLY 227 N -3.61 -0.19 -0.04 0.23 0.00 -1.26 -3.22 107.32 99.22 2wg2 s GLY 227 Ca 0.49 2.33 -0.13 0.00 0.00 0.00 0.00 44.72 47.41 2wg2 s GLY 227 CO 0.86 1.34 0.30 -0.45 0.00 0.00 0.00 173.10 175.15 2wg2 s SER 228 N -0.61 -0.22 0.50 1.64 0.15 -1.26 -4.13 113.70 109.78 2wg2 s SER 228 Ca 0.01 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.14 2wg2 s SER 228 Cb -0.02 0.40 1.34 0.00 -1.71 0.00 0.00 66.02 66.03 2wg2 s SER 228 CO -0.02 -0.35 2.03 1.55 1.20 0.00 0.00 173.24 177.65 2wg2 h PRO 229 N 4.36 0.00 -0.33 5.44 0.13 -1.81 -1.98 132.00 137.81 2wg2 h PRO 229 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2wg2 h PRO 229 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wg2 h PRO 229 CO 0.37 0.15 0.00 0.27 -0.23 0.00 0.00 178.00 178.56 2wg2 n ASN 230 N -3.66 1.73 -4.72 1.44 6.94 -1.26 -4.72 115.26 111.01 2wg2 n ASN 230 Ca -0.02 -2.00 -0.41 0.00 -0.02 0.00 0.00 54.58 52.14 2wg2 n ASN 230 Cb 0.27 -0.22 0.02 0.00 -2.36 0.00 0.00 39.78 37.48 2wg2 n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wg2 h PRO 232 N 2.08 0.00 -0.00 0.00 0.13 -1.83 -0.81 132.00 131.57 2wg2 h PRO 232 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wg2 h PRO 232 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2wg2 h PRO 232 CO 0.60 0.06 -0.45 -2.67 -0.23 0.00 0.00 178.00 175.31 2wg2 n TRP 233 N -3.53 0.00 0.73 1.56 4.27 -1.26 -4.49 117.44 114.72 2wg2 n TRP 233 Ca -0.02 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.71 2wg2 n TRP 233 Cb 0.18 -0.27 0.27 0.00 -1.36 0.00 0.00 31.31 30.13 2wg2 n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2wg2 n ALA 234 N -1.48 2.95 -3.04 -1.67 0.00 -0.31 -4.63 120.51 112.33 2wg2 n ALA 234 Ca 0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2wg2 n ALA 234 Cb 0.34 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 2wg2 n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wg2 s SER 235 N -3.82 -0.18 0.20 0.00 1.04 -1.26 -3.67 113.70 106.02 2wg2 s SER 235 Ca 0.09 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2wg2 s SER 235 Cb 0.15 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.72 2wg2 s SER 235 CO 0.68 -0.92 0.06 0.68 0.98 0.00 0.00 173.24 174.73 2wg2 s VAL 236 N -3.85 0.44 0.82 5.02 -7.23 -0.62 -4.98 120.40 110.00 2wg2 s VAL 236 Ca 0.07 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.14 2wg2 s VAL 236 Cb 0.01 -2.36 0.08 0.00 0.56 0.00 0.00 36.38 34.68 2wg2 s VAL 236 CO -0.07 -0.23 1.12 -0.94 -0.31 0.00 0.00 175.10 174.67 2wg2 s SER 237 N -3.20 4.37 0.33 4.85 1.04 -1.26 -1.86 113.70 117.97 2wg2 s SER 237 Ca 0.31 1.12 0.06 0.00 0.48 0.00 0.00 55.95 57.92 2wg2 s SER 237 Cb 0.07 -1.79 0.59 0.00 0.10 0.00 0.00 66.02 65.00 2wg2 s SER 237 CO 0.08 -2.02 1.83 -0.37 0.98 0.00 0.00 173.24 173.74 2wg2 h VAL 238 N -1.13 1.22 -0.47 5.02 -1.51 -1.94 -0.65 116.25 116.79 2wg2 h VAL 238 Ca -0.48 -1.00 -0.04 0.00 -1.23 0.00 0.00 66.70 63.96 2wg2 h VAL 238 Cb 1.29 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2wg2 h VAL 238 CO 0.62 0.32 0.16 0.00 -1.23 0.00 0.00 177.57 177.43 2wg2 h ALA 239 N 1.48 0.62 -0.35 5.19 0.00 -1.95 -0.98 119.26 123.27 2wg2 h ALA 239 Ca 0.07 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2wg2 h ALA 239 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wg2 h ALA 239 CO 0.03 0.26 -0.38 1.49 0.00 0.00 0.00 179.25 180.65 2wg2 h GLU 240 N 0.63 0.87 -0.37 0.00 4.57 -1.87 -0.99 114.58 117.43 2wg2 h GLU 240 Ca 0.15 -0.47 0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2wg2 h GLU 240 Cb 0.25 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2wg2 h GLU 240 CO -0.01 1.12 0.20 0.78 -1.18 0.00 0.00 179.01 179.92 2wg2 h GLY 241 N 0.67 0.51 0.67 1.92 0.00 -1.08 -1.19 103.07 104.58 2wg2 h GLY 241 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.27 2wg2 h GLY 241 CO 0.09 0.12 0.06 -0.09 0.00 0.00 0.00 176.54 176.72 2wg2 h ARG 242 N 0.42 0.16 -0.44 4.80 2.43 -0.96 -1.20 114.38 119.59 2wg2 h ARG 242 Ca 0.15 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2wg2 h ARG 242 Cb 0.03 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2wg2 h ARG 242 CO -0.09 0.10 0.14 -0.09 -1.51 0.00 0.00 179.97 178.53 2wg2 h ARG 243 N 0.16 0.29 -0.32 0.20 2.43 -0.79 -1.40 114.38 114.95 2wg2 h ARG 243 Ca 0.13 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 2wg2 h ARG 243 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2wg2 h ARG 243 CO -0.17 0.19 -0.29 0.00 -1.51 0.00 0.00 179.97 178.19 2wg2 h ARG 244 N 0.30 0.67 -0.58 0.20 3.08 -1.05 -0.57 114.38 116.44 2wg2 h ARG 244 Ca 0.21 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2wg2 h ARG 244 Cb 0.21 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 2wg2 h ARG 244 CO -0.22 0.88 0.25 0.00 -1.07 0.00 0.00 179.97 179.81 2wg2 h ALA 245 N 1.10 0.75 -0.51 0.04 0.00 -0.77 0.18 119.26 120.05 2wg2 h ALA 245 Ca 0.07 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2wg2 h ALA 245 Cb 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2wg2 h ALA 245 CO 0.06 0.35 -0.04 0.28 0.00 0.00 0.00 179.25 179.91 2wg2 h VAL 246 N 0.80 1.27 -0.90 0.00 2.07 -1.06 -2.13 116.25 116.31 2wg2 h VAL 246 Ca 0.20 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2wg2 h VAL 246 Cb 0.17 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2wg2 h VAL 246 CO -0.02 0.40 0.50 -0.08 0.02 0.00 0.00 177.57 178.39 2wg2 h GLU 247 N 0.80 1.24 -0.33 1.57 4.57 -0.96 0.04 114.58 121.50 2wg2 h GLU 247 Ca 0.14 -0.14 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2wg2 h GLU 247 Cb 0.57 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2wg2 h GLU 247 CO 0.03 0.90 0.12 1.25 -1.18 0.00 0.00 179.01 180.14 2wg2 h LEU 248 N 1.25 0.14 -0.79 1.64 5.85 -0.79 -1.57 115.31 121.05 2wg2 h LEU 248 Ca 0.32 0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.13 2wg2 h LEU 248 Cb 0.02 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2wg2 h LEU 248 CO -0.05 0.12 0.47 1.23 -0.34 0.00 0.00 178.44 179.87 2wg2 h GLY 249 N 0.27 1.18 0.86 3.75 0.00 -0.83 -2.26 103.07 106.04 2wg2 h GLY 249 Ca 0.15 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.18 2wg2 h GLY 249 CO -0.15 0.22 0.48 3.21 0.00 0.00 0.00 176.54 180.30 2wg2 h ARG 250 N 0.86 0.90 0.00 4.80 3.08 -0.72 0.20 114.38 123.50 2wg2 h ARG 250 Ca 0.35 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 2wg2 h ARG 250 Cb 0.19 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 2wg2 h ARG 250 CO -0.18 0.60 -0.07 -0.91 -1.07 0.00 0.00 179.97 178.34 2wg2 h ASN 251 N 0.93 0.00 -0.36 7.04 2.35 -0.72 -2.57 115.58 122.25 2wg2 h ASN 251 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2wg2 h ASN 251 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2wg2 h ASN 251 CO -0.12 0.07 0.00 0.18 -1.65 0.00 0.00 177.43 175.91 2wg2 n LEU 252 N -3.65 3.59 -3.73 1.61 4.77 -0.75 -4.97 117.00 113.87 2wg2 n LEU 252 Ca -0.02 -2.48 -0.26 0.00 -0.03 0.00 0.00 56.01 53.22 2wg2 n LEU 252 Cb 0.18 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.91 2wg2 n LEU 252 CO 0.28 0.72 0.13 0.59 -1.33 0.00 0.00 177.39 177.78 2wg2 n ASN 253 N 0.19 -4.55 -4.84 -1.43 4.13 -0.63 -4.97 115.26 103.16 2wg2 n ASN 253 Ca 0.18 -0.69 -0.32 0.00 1.68 0.00 0.00 54.58 55.42 2wg2 n ASN 253 Cb 0.69 -4.42 -0.05 0.00 -1.54 0.00 0.00 39.78 34.46 2wg2 n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wg2 s ASN 255 N -2.67 6.56 -0.08 0.00 3.84 -1.26 -4.75 114.94 116.58 2wg2 s ASN 255 Ca 0.59 2.53 0.14 0.00 0.21 0.00 0.00 52.86 56.32 2wg2 s ASN 255 Cb -0.10 -2.56 0.43 0.00 -0.55 0.00 0.00 41.25 38.48 2wg2 s ASN 255 CO 0.23 -0.93 1.36 0.18 -2.79 0.00 0.00 177.10 175.15 2wg2 n LEU 256 N 5.99 3.47 0.22 3.21 4.77 -1.26 -3.20 117.00 130.20 2wg2 n LEU 256 Ca 0.17 -2.42 0.09 0.00 -0.03 0.00 0.00 56.01 53.82 2wg2 n LEU 256 Cb 0.40 -0.38 0.47 0.00 -2.33 0.00 0.00 43.42 41.58 2wg2 n LEU 256 CO 0.64 0.72 0.80 0.78 -1.33 0.00 0.00 177.39 178.99 2wg2 h ASN 257 N 2.17 0.00 -5.13 -1.43 2.35 -1.95 -3.46 115.58 108.13 2wg2 h ASN 257 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 2wg2 h ASN 257 Cb 1.07 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.32 2wg2 h ASN 257 CO 0.11 0.24 -0.12 -0.94 -1.65 0.00 0.00 177.43 175.07 2wg2 s SER 258 N -6.25 -0.15 0.24 5.81 1.04 -1.26 -5.02 113.70 108.11 2wg2 s SER 258 Ca -0.00 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 55.86 2wg2 s SER 258 Cb 0.11 0.49 0.40 0.00 0.10 0.00 0.00 66.02 67.12 2wg2 s SER 258 CO 0.64 -0.92 1.79 0.44 0.98 0.00 0.00 173.24 176.17 2wg2 h ASP 259 N 2.38 0.57 -0.52 7.02 3.32 -1.95 -0.62 116.42 126.62 2wg2 h ASP 259 Ca -0.32 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2wg2 h ASP 259 Cb 1.25 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2wg2 h ASP 259 CO 0.45 0.31 0.33 -0.33 -1.72 0.00 0.00 179.24 178.28 2wg2 h GLU 260 N 0.69 0.69 -0.44 3.56 3.07 -1.98 0.28 114.58 120.45 2wg2 h GLU 260 Ca 0.39 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.07 2wg2 h GLU 260 Cb 0.41 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2wg2 h GLU 260 CO -0.27 0.48 -0.23 0.93 -1.40 0.00 0.00 179.01 178.51 2wg2 h GLU 261 N 0.70 0.94 0.02 2.33 5.08 -1.75 -2.24 114.58 119.66 2wg2 h GLU 261 Ca 0.19 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2wg2 h GLU 261 Cb -0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2wg2 h GLU 261 CO -0.04 1.08 -0.01 1.25 -1.00 0.00 0.00 179.01 180.29 2wg2 h LEU 262 N 0.78 -0.02 -0.85 1.33 5.85 -0.81 -1.86 115.31 119.74 2wg2 h LEU 262 Ca 0.10 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2wg2 h LEU 262 Cb 0.81 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 2wg2 h LEU 262 CO 0.07 0.20 0.54 0.40 -0.34 0.00 0.00 178.44 179.31 2wg2 h ILE 263 N -0.24 1.23 -0.32 4.05 2.04 -1.01 -0.27 117.51 122.99 2wg2 h ILE 263 Ca -0.00 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2wg2 h ILE 263 Cb 0.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 2wg2 h ILE 263 CO 0.00 0.22 0.16 -0.74 0.00 0.00 0.00 178.15 177.79 2wg2 h HIS 264 N 1.15 0.45 -0.25 1.37 2.76 -1.30 0.96 115.15 120.29 2wg2 h HIS 264 Ca 0.31 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.49 2wg2 h HIS 264 Cb -0.10 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2wg2 h HIS 264 CO -0.01 0.40 0.06 0.00 -1.30 0.00 0.00 177.93 177.08 2wg2 h LEU 266 N 0.16 0.04 -0.75 0.00 3.38 -0.67 -2.00 115.31 115.47 2wg2 h LEU 266 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2wg2 h LEU 266 Cb 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wg2 h LEU 266 CO -0.14 0.25 -0.07 0.03 0.09 0.00 0.00 178.44 178.60 2wg2 h ARG 267 N 0.04 0.00 0.00 1.13 3.08 -0.45 -3.12 114.38 115.07 2wg2 h ARG 267 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2wg2 h ARG 267 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2wg2 h ARG 267 CO 0.03 0.07 -0.26 0.93 -1.07 0.00 0.00 179.97 179.66 2wg2 h GLU 268 N 0.00 0.00 -6.99 0.04 5.08 -1.02 -3.47 114.58 108.22 2wg2 h GLU 268 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 2wg2 h GLU 268 Cb 0.80 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.10 2wg2 h GLU 268 CO 0.01 0.24 0.47 0.15 -1.00 0.00 0.00 179.01 178.89 2wg2 s LYS 269 N -3.09 3.87 0.57 2.33 -0.14 -1.18 -5.02 119.74 117.09 2wg2 s LYS 269 Ca 0.05 1.73 -0.19 0.00 -1.36 0.00 0.00 55.97 56.21 2wg2 s LYS 269 Cb 0.06 -2.47 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 2wg2 s LYS 269 CO 0.71 -0.44 1.17 0.15 -0.76 0.00 0.00 175.35 176.18 2wg2 s LYS 270 N -2.61 3.13 0.23 1.68 1.02 -1.26 -4.94 119.74 116.99 2wg2 s LYS 270 Ca 0.62 1.73 -0.06 0.00 0.02 0.00 0.00 55.97 58.27 2wg2 s LYS 270 Cb -0.28 -1.96 0.36 0.00 -0.52 0.00 0.00 37.83 35.44 2wg2 s LYS 270 CO 0.34 -1.06 1.76 -1.35 -0.92 0.00 0.00 175.35 174.12 2wg2 h PRO 271 N 1.00 0.50 0.00 -1.68 0.11 -1.96 -1.43 132.00 128.53 2wg2 h PRO 271 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2wg2 h PRO 271 Cb 1.28 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2wg2 h PRO 271 CO 0.56 0.33 -0.04 0.37 -0.21 0.00 0.00 178.00 179.01 2wg2 h GLN 272 N 0.51 0.00 -0.87 1.05 5.75 -1.99 -1.20 115.11 118.36 2wg2 h GLN 272 Ca 0.36 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.84 2wg2 h GLN 272 Cb 0.45 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 2wg2 h GLN 272 CO -0.32 0.04 0.48 0.93 -2.65 0.00 0.00 178.83 177.30 2wg2 h GLU 273 N 0.00 1.22 -0.16 1.69 5.08 -1.63 -0.39 114.58 120.40 2wg2 h GLU 273 Ca -0.00 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2wg2 h GLU 273 Cb 0.07 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2wg2 h GLU 273 CO 0.00 0.89 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.73 2wg2 h LEU 274 N 1.23 0.37 -0.97 1.33 4.07 -1.23 -3.26 115.31 116.84 2wg2 h LEU 274 Ca 0.31 -0.44 0.01 0.00 0.08 0.00 0.00 57.88 57.84 2wg2 h LEU 274 Cb 0.03 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.62 2wg2 h LEU 274 CO -0.05 0.73 0.64 0.40 -1.08 0.00 0.00 178.44 179.08 2wg2 h ILE 275 N 0.01 1.25 0.00 1.22 2.04 -1.25 -1.87 117.51 118.91 2wg2 h ILE 275 Ca 0.03 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2wg2 h ILE 275 Cb 0.60 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2wg2 h ILE 275 CO 0.03 0.24 -0.03 0.44 0.00 0.00 0.00 178.15 178.84 2wg2 h ASP 276 N 1.32 0.00 -0.02 1.72 3.32 -1.11 -2.78 116.42 118.88 2wg2 h ASP 276 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 2wg2 h ASP 276 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2wg2 h ASP 276 CO -0.08 0.03 0.00 1.33 -1.72 0.00 0.00 179.24 178.80 2wg2 n VAL 277 N -3.98 0.04 -0.27 -1.35 0.24 -1.05 -4.78 118.33 107.17 2wg2 n VAL 277 Ca -0.03 -0.52 0.08 0.00 -2.04 0.00 0.00 64.34 61.83 2wg2 n VAL 277 Cb 0.11 1.12 0.21 0.00 -1.47 0.00 0.00 33.84 33.82 2wg2 n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2wg2 h GLU 278 N 1.39 0.24 0.00 7.34 4.81 -1.05 -1.33 114.58 125.98 2wg2 h GLU 278 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2wg2 h GLU 278 Cb 0.31 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2wg2 h GLU 278 CO 0.00 0.16 0.00 0.91 -0.73 0.00 0.00 179.01 179.35 2wg2 n TRP 279 N -5.19 0.74 0.83 0.92 7.02 -1.26 -3.32 117.44 117.18 2wg2 n TRP 279 Ca 0.16 0.26 0.10 0.00 -1.02 0.00 0.00 57.50 57.00 2wg2 n TRP 279 Cb 0.53 -0.92 0.47 0.00 -2.42 0.00 0.00 31.31 28.97 2wg2 n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2wg2 n ASN 280 N -2.14 0.00 -0.42 -0.99 3.02 -0.50 -3.58 115.26 110.64 2wg2 n ASN 280 Ca 0.04 0.23 0.12 0.00 -0.03 0.00 0.00 54.58 54.94 2wg2 n ASN 280 Cb 0.29 -0.39 0.13 0.00 -0.61 0.00 0.00 39.78 39.20 2wg2 n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2wg2 n VAL 281 N -1.39 0.00 -1.93 2.41 0.24 -1.21 -4.95 118.33 111.51 2wg2 n VAL 281 Ca 0.07 -0.22 -0.40 0.00 -2.04 0.00 0.00 64.34 61.75 2wg2 n VAL 281 Cb 0.19 0.97 -0.00 0.00 -1.47 0.00 0.00 33.84 33.54 2wg2 n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2wg2 s LEU 282 N -2.48 4.25 0.43 1.34 1.43 -1.23 -4.77 118.68 117.66 2wg2 s LEU 282 Ca 0.21 2.84 0.24 0.00 -1.03 0.00 0.00 54.13 56.38 2wg2 s LEU 282 Cb 0.19 -3.80 0.48 0.00 0.03 0.00 0.00 46.19 43.08 2wg2 s LEU 282 CO 0.55 -0.89 1.65 1.55 0.23 0.00 0.00 176.35 179.44 2wg2 h PRO 283 N 2.79 0.00 -5.28 1.29 0.13 -1.95 -3.46 132.00 125.52 2wg2 h PRO 283 Ca -0.50 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.25 2wg2 h PRO 283 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2wg2 h PRO 283 CO 0.63 0.08 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.70 2wg2 s PHE 284 N -3.26 1.47 -0.52 1.56 0.08 -1.26 -5.09 117.98 110.97 2wg2 s PHE 284 Ca 0.05 -0.69 -0.28 0.00 0.12 0.00 0.00 56.93 56.14 2wg2 s PHE 284 Cb 0.06 -0.72 -0.00 0.00 -0.57 0.00 0.00 43.02 41.79 2wg2 s PHE 284 CO 0.66 0.19 1.60 0.34 -0.10 0.00 0.00 175.22 177.92 2wg2 s ASP 285 N -3.24 5.88 0.08 1.36 2.15 -1.26 -4.97 116.67 116.67 2wg2 s ASP 285 Ca 0.20 0.54 -0.04 0.00 0.43 0.00 0.00 52.55 53.68 2wg2 s ASP 285 Cb 0.01 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2wg2 s ASP 285 CO 0.04 -1.86 0.08 -0.94 -0.17 0.00 0.00 175.17 172.32 2wg2 s SER 286 N 5.65 0.31 0.28 -0.34 1.04 -1.26 -4.55 113.70 114.83 2wg2 s SER 286 Ca 0.62 -0.90 0.12 0.00 0.48 0.00 0.00 55.95 56.27 2wg2 s SER 286 Cb -0.14 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 2wg2 s SER 286 CO 0.26 -0.68 -0.17 0.27 0.98 0.00 0.00 173.24 173.90 2wg2 s ILE 287 N -3.92 2.60 -1.45 -1.02 -4.36 -0.82 -4.80 121.20 107.43 2wg2 s ILE 287 Ca 0.09 -2.34 -0.10 0.00 -0.26 0.00 0.00 60.65 58.04 2wg2 s ILE 287 Cb 0.07 -2.38 0.04 0.00 1.25 0.00 0.00 42.46 41.44 2wg2 s ILE 287 CO -0.08 -0.39 0.97 0.33 0.24 0.00 0.00 174.94 176.00 2wg2 n PHE 288 N -0.66 -2.45 -4.31 1.37 -0.00 -1.26 -4.78 117.46 105.37 2wg2 n PHE 288 Ca -0.05 0.85 -0.19 0.00 -0.00 0.00 0.00 57.45 58.07 2wg2 n PHE 288 Cb 0.60 -4.42 -0.15 0.00 -0.00 0.00 0.00 39.48 35.51 2wg2 n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2wg2 s ARG 289 N -6.30 0.74 0.09 -4.13 1.81 -1.26 -4.57 118.95 105.33 2wg2 s ARG 289 Ca 0.56 -0.26 0.07 0.00 -1.72 0.00 0.00 55.73 54.38 2wg2 s ARG 289 Cb -0.26 -0.71 -0.03 0.00 -0.45 0.00 0.00 34.95 33.49 2wg2 s ARG 289 CO 0.69 0.12 -0.19 -0.06 -0.68 0.00 0.00 175.30 175.18 2wg2 s PHE 290 N 0.06 1.64 -0.04 -0.53 0.08 -1.26 -5.06 117.98 112.86 2wg2 s PHE 290 Ca -0.01 -0.43 -0.24 0.00 0.12 0.00 0.00 56.93 56.38 2wg2 s PHE 290 Cb -0.06 -0.91 -0.18 0.00 -0.57 0.00 0.00 43.02 41.30 2wg2 s PHE 290 CO -0.00 0.16 1.03 0.77 -0.10 0.00 0.00 175.22 177.09 2wg2 h SER 291 N 4.15 -0.11 -3.62 1.36 0.02 -1.90 -3.42 113.55 110.04 2wg2 h SER 291 Ca -0.45 -0.45 -0.69 0.00 -0.84 0.00 0.00 61.79 59.37 2wg2 h SER 291 Cb 1.18 0.03 -0.33 0.00 0.14 0.00 0.00 62.40 63.42 2wg2 h SER 291 CO 0.40 0.44 -0.61 -0.36 -1.14 0.00 0.00 176.83 175.56 2wg2 s PHE 292 N -3.71 3.42 0.25 3.45 0.08 -1.26 -5.00 117.98 115.21 2wg2 s PHE 292 Ca -0.15 -2.07 0.01 0.00 0.12 0.00 0.00 56.93 54.85 2wg2 s PHE 292 Cb 0.01 -2.68 -0.05 0.00 -0.57 0.00 0.00 43.02 39.73 2wg2 s PHE 292 CO 0.57 -0.87 0.08 0.14 -0.10 0.00 0.00 175.22 175.04 2wg2 s VAL 293 N 1.22 0.59 0.38 -0.44 -7.23 -1.26 -4.48 120.40 109.17 2wg2 s VAL 293 Ca 0.02 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.95 2wg2 s VAL 293 Cb -0.21 -2.56 -0.13 0.00 0.56 0.00 0.00 36.38 34.04 2wg2 s VAL 293 CO -0.02 -0.08 0.70 -2.65 -0.31 0.00 0.00 175.10 172.74 2wg2 n PRO 294 N -0.43 0.77 -5.04 4.82 -0.02 -1.24 -4.70 135.00 129.15 2wg2 n PRO 294 Ca -0.01 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 2wg2 n PRO 294 Cb 0.66 -1.60 -0.15 0.00 -0.02 0.00 0.00 33.50 32.39 2wg2 n PRO 294 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wg2 s VAL 295 N -1.32 2.64 -0.91 -1.45 1.01 -1.26 -1.59 120.40 117.52 2wg2 s VAL 295 Ca 0.62 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 2wg2 s VAL 295 Cb -0.64 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2wg2 s VAL 295 CO 0.58 0.58 1.49 -0.63 0.00 0.00 0.00 175.10 177.12 2wg2 s ILE 296 N -0.48 3.78 -1.19 2.22 -1.09 -0.78 -4.78 121.20 118.88 2wg2 s ILE 296 Ca 0.06 -0.37 0.20 0.00 -2.23 0.00 0.00 60.65 58.31 2wg2 s ILE 296 Cb -0.12 -4.84 -0.17 0.00 -1.58 0.00 0.00 42.46 35.76 2wg2 s ILE 296 CO 0.01 -1.74 0.90 -0.90 -1.23 0.00 0.00 174.94 171.98 2wg2 n ASP 297 N 9.84 1.20 0.00 3.58 5.75 -1.26 -4.29 116.55 131.37 2wg2 n ASP 297 Ca 0.26 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 2wg2 n ASP 297 Cb 0.50 0.87 0.00 0.00 -1.03 0.00 0.00 41.12 41.46 2wg2 n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wg2 n GLY 298 N 1.45 0.63 1.13 6.12 0.00 0.51 -4.85 105.19 110.18 2wg2 n GLY 298 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wg2 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wg2 n GLU 299 N -2.46 0.00 -0.17 1.61 2.13 -1.26 -4.44 120.64 116.04 2wg2 n GLU 299 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2wg2 n GLU 299 Cb 0.02 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.79 2wg2 n GLU 299 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 2wg2 h PHE 300 N 0.00 0.43 -3.68 4.31 3.04 -1.93 -3.34 116.94 115.78 2wg2 h PHE 300 Ca 0.00 0.02 -0.69 0.00 3.98 0.00 0.00 57.97 61.28 2wg2 h PHE 300 Cb 0.00 -0.12 -0.31 0.00 2.56 0.00 0.00 35.95 38.09 2wg2 h PHE 300 CO 0.00 0.19 -0.63 -0.06 -2.02 0.00 0.00 178.31 175.79 2wg2 s PHE 301 N -6.13 3.29 0.24 0.41 0.08 -1.26 -4.39 117.98 110.23 2wg2 s PHE 301 Ca -0.13 -1.66 -0.04 0.00 0.12 0.00 0.00 56.93 55.22 2wg2 s PHE 301 Cb 0.14 -2.33 0.28 0.00 -0.57 0.00 0.00 43.02 40.54 2wg2 s PHE 301 CO 0.74 -0.78 1.75 -1.00 -0.10 0.00 0.00 175.22 175.83 2wg2 h PRO 302 N 8.14 0.91 0.00 0.24 0.13 -1.78 0.15 132.00 139.78 2wg2 h PRO 302 Ca -0.22 -0.23 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 2wg2 h PRO 302 Cb 1.07 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.05 2wg2 h PRO 302 CO 0.59 0.86 -0.14 0.25 -0.23 0.00 0.00 178.00 179.33 2wg2 n THR 303 N -4.23 0.00 -1.70 1.56 -2.24 -1.26 -4.34 114.28 102.07 2wg2 n THR 303 Ca 0.04 -0.70 -0.37 0.00 -2.27 0.00 0.00 64.05 60.75 2wg2 n THR 303 Cb 0.28 0.27 0.07 0.00 -2.10 0.00 0.00 70.33 68.85 2wg2 n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wg2 n SER 304 N -2.05 2.04 -0.35 3.42 3.41 -1.26 -4.82 113.62 114.01 2wg2 n SER 304 Ca -0.01 0.82 -0.01 0.00 -0.26 0.00 0.00 58.87 59.41 2wg2 n SER 304 Cb 0.18 -1.56 0.12 0.00 -0.26 0.00 0.00 64.21 62.70 2wg2 n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wg2 h LEU 305 N 0.46 1.02 -0.57 1.04 3.38 -1.99 -1.54 115.31 117.11 2wg2 h LEU 305 Ca -0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2wg2 h LEU 305 Cb 1.34 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2wg2 h LEU 305 CO 0.53 0.70 0.28 -0.08 0.09 0.00 0.00 178.44 179.96 2wg2 h GLU 306 N 1.19 0.82 -0.29 1.13 4.57 -1.99 -1.26 114.58 118.75 2wg2 h GLU 306 Ca 0.37 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.31 2wg2 h GLU 306 Cb -0.01 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 2wg2 h GLU 306 CO -0.12 0.67 -0.33 0.66 -1.18 0.00 0.00 179.01 178.71 2wg2 h SER 307 N 0.78 0.65 -0.35 1.04 4.64 -1.80 -0.97 113.55 117.55 2wg2 h SER 307 Ca 0.20 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2wg2 h SER 307 Cb 0.11 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.00 2wg2 h SER 307 CO -0.03 0.94 0.21 0.24 -0.87 0.00 0.00 176.83 177.32 2wg2 h MET 308 N 0.53 0.41 -0.56 4.77 2.86 -1.08 -1.65 114.93 120.22 2wg2 h MET 308 Ca 0.06 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2wg2 h MET 308 Cb 0.83 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 2wg2 h MET 308 CO 0.07 0.27 -0.09 -0.07 1.06 0.00 0.00 176.91 178.15 2wg2 h LEU 309 N 0.42 1.04 -0.74 1.22 3.38 -1.05 0.52 115.31 120.09 2wg2 h LEU 309 Ca 0.14 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2wg2 h LEU 309 Cb -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2wg2 h LEU 309 CO -0.06 1.14 -0.06 0.78 0.09 0.00 0.00 178.44 180.33 2wg2 h ASN 310 N 0.93 0.88 0.00 -0.43 2.35 -1.02 -3.14 115.58 115.14 2wg2 h ASN 310 Ca 0.15 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2wg2 h ASN 310 Cb 0.66 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2wg2 h ASN 310 CO 0.05 0.98 -0.03 -1.54 -1.65 0.00 0.00 177.43 175.24 2wg2 n SER 311 N -4.17 1.72 -0.88 5.81 3.41 -0.63 -4.93 113.62 113.94 2wg2 n SER 311 Ca 0.02 -1.54 -0.09 0.00 -0.26 0.00 0.00 58.87 57.01 2wg2 n SER 311 Cb 0.35 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 2wg2 n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wg2 n GLY 312 N 1.22 0.42 3.21 5.00 0.00 -0.93 -4.94 105.19 109.17 2wg2 n GLY 312 Ca 0.17 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2wg2 n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wg2 n ASN 313 N 0.41 4.68 -3.66 1.61 5.15 0.13 -4.85 115.26 118.73 2wg2 n ASN 313 Ca -0.10 -2.93 -0.06 0.00 -0.60 0.00 0.00 54.58 50.89 2wg2 n ASN 313 Cb 0.47 -1.66 -0.02 0.00 -0.53 0.00 0.00 39.78 38.04 2wg2 n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2wg2 s PHE 314 N 2.98 -0.23 0.13 1.20 -0.12 -1.26 -4.71 117.98 115.96 2wg2 s PHE 314 Ca 0.48 -0.03 -0.31 0.00 -0.05 0.00 0.00 56.93 57.02 2wg2 s PHE 314 Cb 0.07 0.61 -0.10 0.00 -0.63 0.00 0.00 43.02 42.97 2wg2 s PHE 314 CO 0.01 -0.79 1.63 0.21 -0.05 0.00 0.00 175.22 176.22 2wg2 s LYS 315 N -3.35 4.20 -0.40 1.99 2.20 -0.16 -4.97 119.74 119.25 2wg2 s LYS 315 Ca 0.09 2.39 -0.15 0.00 -0.36 0.00 0.00 55.97 57.94 2wg2 s LYS 315 Cb -0.02 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.99 2wg2 s LYS 315 CO -0.02 -0.68 0.32 0.15 -0.36 0.00 0.00 175.35 174.77 2wg2 s LYS 316 N 1.76 3.12 0.00 4.03 1.02 -1.26 -4.97 119.74 123.45 2wg2 s LYS 316 Ca 0.72 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2wg2 s LYS 316 Cb -0.43 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 2wg2 s LYS 316 CO 0.32 -0.70 0.00 -2.37 -0.92 0.00 0.00 175.35 171.68 2wg2 n THR 317 N 5.21 0.00 -3.62 2.17 5.66 -1.26 -4.78 114.28 117.67 2wg2 n THR 317 Ca -0.10 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.54 2wg2 n THR 317 Cb 0.48 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.20 2wg2 n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2wg2 s GLN 318 N -0.03 3.73 0.07 1.09 1.11 -1.26 -0.84 119.66 123.52 2wg2 s GLN 318 Ca 0.00 0.14 0.05 0.00 0.01 0.00 0.00 55.36 55.56 2wg2 s GLN 318 Cb 0.00 -3.06 -0.03 0.00 -1.01 0.00 0.00 33.01 28.92 2wg2 s GLN 318 CO 0.00 0.61 -0.14 0.96 0.01 0.00 0.00 175.29 176.73 2wg2 s ILE 319 N -1.31 1.12 -0.06 1.08 -4.36 0.25 -3.26 121.20 114.65 2wg2 s ILE 319 Ca 0.30 -1.25 0.03 0.00 -0.26 0.00 0.00 60.65 59.46 2wg2 s ILE 319 Cb -0.14 -1.06 0.01 0.00 1.25 0.00 0.00 42.46 42.52 2wg2 s ILE 319 CO 0.16 -0.18 -0.13 -0.22 0.24 0.00 0.00 174.94 174.81 2wg2 s LEU 320 N -1.62 1.71 0.26 0.37 0.20 -0.83 -1.23 118.68 117.54 2wg2 s LEU 320 Ca -0.01 -0.32 -0.21 0.00 0.69 0.00 0.00 54.13 54.28 2wg2 s LEU 320 Cb -0.10 -0.87 0.03 0.00 -0.43 0.00 0.00 46.19 44.83 2wg2 s LEU 320 CO 0.02 0.06 0.78 -1.48 -0.29 0.00 0.00 176.35 175.44 2wg2 s LEU 321 N 0.54 -0.22 0.00 -0.68 2.34 0.04 -1.14 118.68 119.56 2wg2 s LEU 321 Ca -0.13 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.45 2wg2 s LEU 321 Cb -0.15 2.61 0.00 0.00 -0.56 0.00 0.00 46.19 48.09 2wg2 s LEU 321 CO 0.04 -1.28 0.00 0.61 -1.06 0.00 0.00 176.35 174.66 2wg2 n GLY 322 N -0.47 -1.49 3.23 -3.48 0.00 -1.01 -0.84 105.19 101.13 2wg2 n GLY 322 Ca -0.05 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 2wg2 n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wg2 s VAL 323 N -2.83 0.06 0.28 1.61 -7.23 -1.00 -0.76 120.40 110.53 2wg2 s VAL 323 Ca 0.00 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2wg2 s VAL 323 Cb 0.00 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.76 2wg2 s VAL 323 CO 0.00 -0.26 0.42 0.20 -0.31 0.00 0.00 175.10 175.15 2wg2 s ASN 324 N -3.06 6.19 0.18 4.85 -0.87 -1.26 -0.20 114.94 120.76 2wg2 s ASN 324 Ca 0.27 0.02 -0.12 0.00 -1.57 0.00 0.00 52.86 51.46 2wg2 s ASN 324 Cb 0.06 -1.65 0.08 0.00 -0.02 0.00 0.00 41.25 39.72 2wg2 s ASN 324 CO 0.05 -0.22 1.75 0.50 -2.57 0.00 0.00 177.10 176.60 2wg2 h LYS 325 N 1.03 0.89 -2.58 -0.60 3.64 -1.31 -3.36 116.57 114.28 2wg2 h LYS 325 Ca -0.50 -0.15 -0.61 0.00 -1.27 0.00 0.00 60.65 58.12 2wg2 h LYS 325 Cb 1.24 -0.15 -0.42 0.00 -0.41 0.00 0.00 32.23 32.49 2wg2 h LYS 325 CO 0.58 0.74 -0.55 -0.25 -2.27 0.00 0.00 179.45 177.70 2wg2 n ASP 326 N -4.49 3.55 0.21 4.20 8.00 -0.33 -4.89 116.55 122.79 2wg2 n ASP 326 Ca 0.04 -3.35 0.08 0.00 0.71 0.00 0.00 54.79 52.26 2wg2 n ASP 326 Cb 0.14 -0.72 0.41 0.00 -0.02 0.00 0.00 41.12 40.93 2wg2 n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2wg2 h GLU 327 N 4.70 0.00 0.00 -1.24 4.39 -1.75 -3.23 114.58 117.45 2wg2 h GLU 327 Ca 0.18 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 2wg2 h GLU 327 Cb 0.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 2wg2 h GLU 327 CO 0.80 0.30 -0.66 0.78 -1.16 0.00 0.00 179.01 179.07 2wg2 h GLY 328 N 1.96 0.00 1.44 -3.84 0.00 -1.85 -3.41 103.07 97.38 2wg2 h GLY 328 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2wg2 h GLY 328 CO 0.04 0.00 0.13 1.48 0.00 0.00 0.00 176.54 178.18 2wg2 h SER 329 N 0.00 0.66 -0.40 0.19 4.64 -1.83 -2.54 113.55 114.27 2wg2 h SER 329 Ca -0.02 -0.10 0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2wg2 h SER 329 Cb 1.46 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 2wg2 h SER 329 CO 0.07 0.65 0.08 0.15 -0.87 0.00 0.00 176.83 176.91 2wg2 h PHE 330 N 0.69 0.13 0.03 4.77 3.04 -1.84 -0.88 116.94 122.90 2wg2 h PHE 330 Ca 0.16 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.91 2wg2 h PHE 330 Cb 0.24 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 2wg2 h PHE 330 CO 0.01 0.01 -0.99 0.74 -2.02 0.00 0.00 178.31 176.06 2wg2 h PHE 331 N 0.21 0.39 -0.21 0.41 -1.00 -1.76 -2.64 116.94 112.33 2wg2 h PHE 331 Ca 0.19 -0.24 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 2wg2 h PHE 331 Cb 0.23 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 2wg2 h PHE 331 CO -0.20 1.09 0.09 -0.07 -1.61 0.00 0.00 178.31 177.62 2wg2 h LEU 332 N 0.12 0.28 -0.61 1.54 3.38 -1.36 0.53 115.31 119.19 2wg2 h LEU 332 Ca -0.07 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.87 2wg2 h LEU 332 Cb 1.66 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 2wg2 h LEU 332 CO 0.16 0.35 0.16 0.25 0.09 0.00 0.00 178.44 179.44 2wg2 h LEU 333 N 0.20 0.07 0.00 1.67 5.85 -1.09 -0.65 115.31 121.35 2wg2 h LEU 333 Ca 0.07 0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.70 2wg2 h LEU 333 Cb 0.14 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2wg2 h LEU 333 CO -0.01 0.04 -0.94 1.88 -0.34 0.00 0.00 178.44 179.07 2wg2 h TYR 334 N 0.30 0.00 0.00 1.25 -1.99 -1.39 -3.42 116.97 111.73 2wg2 h TYR 334 Ca 0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2wg2 h TYR 334 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 2wg2 h TYR 334 CO -0.22 0.93 0.00 0.41 -0.00 0.00 0.00 178.16 179.28 2wg2 n GLY 335 N 1.34 0.75 3.35 3.88 0.00 0.17 -5.05 105.19 109.63 2wg2 n GLY 335 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2wg2 n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wg2 s ALA 336 N -0.75 2.33 0.44 4.61 0.00 -0.29 -4.91 121.76 123.19 2wg2 s ALA 336 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 2wg2 s ALA 336 Cb 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 2wg2 s ALA 336 CO 0.00 0.50 1.36 -1.25 0.00 0.00 0.00 175.76 176.36 2wg2 s PRO 337 N -0.50 3.78 0.00 0.00 0.04 -1.26 -3.08 135.00 133.98 2wg2 s PRO 337 Ca 0.06 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2wg2 s PRO 337 Cb -0.11 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2wg2 s PRO 337 CO 0.01 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.77 2wg2 n GLY 338 N 0.62 2.54 3.71 0.56 0.00 -1.26 -4.90 105.19 106.46 2wg2 n GLY 338 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2wg2 n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wg2 s PHE 339 N -2.70 3.38 0.06 1.61 0.40 -1.18 -4.61 117.98 114.94 2wg2 s PHE 339 Ca 0.00 0.29 -0.05 0.00 -0.60 0.00 0.00 56.93 56.57 2wg2 s PHE 339 Cb 0.00 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 2wg2 s PHE 339 CO 0.00 0.21 0.09 -1.54 0.70 0.00 0.00 175.22 174.69 2wg2 s SER 340 N 0.59 0.27 0.30 1.36 1.04 -1.26 -4.83 113.70 111.16 2wg2 s SER 340 Ca 0.08 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.77 2wg2 s SER 340 Cb -0.12 0.27 0.48 0.00 0.10 0.00 0.00 66.02 66.75 2wg2 s SER 340 CO 0.00 -0.64 1.81 0.50 0.98 0.00 0.00 173.24 175.89 2wg2 h LYS 341 N 3.06 0.59 -0.46 4.02 3.64 -1.98 -3.25 116.57 122.18 2wg2 h LYS 341 Ca -0.34 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2wg2 h LYS 341 Cb 1.17 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2wg2 h LYS 341 CO 0.59 0.65 0.00 -0.25 -2.27 0.00 0.00 179.45 178.17 2wg2 n ASP 342 N -4.23 4.13 -4.34 4.20 8.00 -1.26 -4.45 116.55 118.60 2wg2 n ASP 342 Ca 0.01 -2.52 -0.17 0.00 0.71 0.00 0.00 54.79 52.82 2wg2 n ASP 342 Cb 0.30 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.80 2wg2 n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wg2 s SER 343 N -1.22 1.82 0.00 -2.24 1.04 -1.23 -5.01 113.70 106.86 2wg2 s SER 343 Ca 0.42 -1.24 0.09 0.00 0.48 0.00 0.00 55.95 55.71 2wg2 s SER 343 Cb 0.29 0.01 0.40 0.00 0.10 0.00 0.00 66.02 66.82 2wg2 s SER 343 CO 0.18 -0.53 1.29 -0.62 0.98 0.00 0.00 173.24 174.53 2wg2 n GLU 344 N -0.44 0.01 -3.83 4.02 1.02 -1.26 -4.71 120.64 115.45 2wg2 n GLU 344 Ca -0.05 0.33 -0.25 0.00 -0.02 0.00 0.00 57.16 57.18 2wg2 n GLU 344 Cb 0.64 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.58 2wg2 n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wg2 n SER 345 N -1.48 -1.92 -4.75 1.62 7.64 -1.26 -4.87 113.62 108.60 2wg2 n SER 345 Ca 0.02 -0.86 -0.41 0.00 1.01 0.00 0.00 58.87 58.63 2wg2 n SER 345 Cb 0.11 -3.75 -0.02 0.00 -1.01 0.00 0.00 64.21 59.53 2wg2 n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2wg2 s LYS 346 N -6.29 4.29 -0.21 1.43 1.02 -1.26 -4.73 119.74 113.99 2wg2 s LYS 346 Ca 0.19 2.26 -0.04 0.00 0.02 0.00 0.00 55.97 58.40 2wg2 s LYS 346 Cb -0.10 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 2wg2 s LYS 346 CO 0.84 -0.36 -0.03 0.42 -0.92 0.00 0.00 175.35 175.30 2wg2 s ILE 347 N -0.23 3.56 0.80 2.17 -1.09 -0.23 -4.97 121.20 121.21 2wg2 s ILE 347 Ca 0.57 -0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 2wg2 s ILE 347 Cb -0.41 -2.61 0.08 0.00 -1.58 0.00 0.00 42.46 37.93 2wg2 s ILE 347 CO 0.45 0.42 1.10 -0.94 -1.23 0.00 0.00 174.94 174.74 2wg2 s SER 348 N 1.30 4.18 0.34 3.58 1.04 -1.26 -4.23 113.70 118.65 2wg2 s SER 348 Ca 0.04 1.87 0.06 0.00 0.48 0.00 0.00 55.95 58.40 2wg2 s SER 348 Cb -0.14 -2.52 0.71 0.00 0.10 0.00 0.00 66.02 64.17 2wg2 s SER 348 CO -0.01 -2.25 1.89 -0.09 0.98 0.00 0.00 173.24 173.77 2wg2 h ARG 349 N -1.28 0.79 -0.41 4.02 9.65 -1.91 0.62 114.38 125.85 2wg2 h ARG 349 Ca -0.44 -0.05 -0.13 0.00 -1.10 0.00 0.00 59.98 58.26 2wg2 h ARG 349 Cb 1.24 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 2wg2 h ARG 349 CO 0.50 0.52 -0.26 1.49 2.80 0.00 0.00 179.97 185.02 2wg2 h GLU 350 N 0.81 0.90 0.00 0.20 4.81 -1.98 -2.28 114.58 117.04 2wg2 h GLU 350 Ca 0.41 -0.42 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2wg2 h GLU 350 Cb 0.49 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2wg2 h GLU 350 CO -0.18 1.07 -0.51 -0.44 -0.73 0.00 0.00 179.01 178.22 2wg2 h ASP 351 N 0.72 0.00 -0.06 1.04 3.32 -1.73 -2.30 116.42 117.41 2wg2 h ASP 351 Ca 0.08 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.14 2wg2 h ASP 351 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2wg2 h ASP 351 CO 0.07 0.51 0.01 0.15 -1.72 0.00 0.00 179.24 178.26 2wg2 h PHE 352 N 0.00 0.02 -0.54 4.55 3.57 -0.72 -0.21 116.94 123.60 2wg2 h PHE 352 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2wg2 h PHE 352 Cb 1.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2wg2 h PHE 352 CO 0.00 0.01 0.25 0.52 -2.23 0.00 0.00 178.31 176.86 2wg2 h MET 353 N 0.03 0.79 -0.59 1.11 2.86 -1.24 0.16 114.93 118.05 2wg2 h MET 353 Ca 0.02 -0.12 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2wg2 h MET 353 Cb 0.02 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 2wg2 h MET 353 CO -0.03 0.66 0.36 0.77 1.06 0.00 0.00 176.91 179.72 2wg2 h SER 354 N 0.73 0.57 -0.45 1.22 0.02 -1.34 -2.19 113.55 112.11 2wg2 h SER 354 Ca 0.19 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2wg2 h SER 354 Cb 0.14 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2wg2 h SER 354 CO -0.02 0.40 0.30 1.23 -1.14 0.00 0.00 176.83 177.60 2wg2 h GLY 355 N 0.70 0.64 0.92 -3.77 0.00 -0.41 -1.78 103.07 99.37 2wg2 h GLY 355 Ca 0.24 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2wg2 h GLY 355 CO -0.11 0.23 0.34 -2.08 0.00 0.00 0.00 176.54 174.92 2wg2 h VAL 356 N 0.61 1.09 -0.74 4.60 2.07 -0.47 0.02 116.25 123.43 2wg2 h VAL 356 Ca 0.17 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 2wg2 h VAL 356 Cb -0.07 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 2wg2 h VAL 356 CO -0.04 0.12 0.32 0.50 0.02 0.00 0.00 177.57 178.50 2wg2 h LYS 357 N 0.68 1.09 -0.22 1.57 3.64 -1.18 -2.10 116.57 120.03 2wg2 h LYS 357 Ca 0.21 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2wg2 h LYS 357 Cb -0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2wg2 h LYS 357 CO -0.08 0.87 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.62 2wg2 h LEU 358 N 1.05 0.45 -0.53 5.20 3.38 -0.92 -3.24 115.31 120.70 2wg2 h LEU 358 Ca 0.25 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 2wg2 h LEU 358 Cb 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wg2 h LEU 358 CO -0.03 0.72 -0.61 0.28 0.09 0.00 0.00 178.44 178.90 2wg2 h SER 359 N 0.39 0.00 -2.14 -0.43 0.02 -0.57 -2.18 113.55 108.65 2wg2 h SER 359 Ca 0.05 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.44 2wg2 h SER 359 Cb 0.70 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.83 2wg2 h SER 359 CO 0.05 0.61 -0.83 0.52 -1.14 0.00 0.00 176.83 176.04 2wg2 n VAL 360 N -3.53 1.40 0.27 2.27 0.31 -0.83 -4.91 118.33 113.32 2wg2 n VAL 360 Ca -0.00 -4.92 0.16 0.00 -0.01 0.00 0.00 64.34 59.56 2wg2 n VAL 360 Cb 0.67 -1.58 0.72 0.00 -0.91 0.00 0.00 33.84 32.74 2wg2 n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2wg2 h PRO 361 N 3.63 0.00 -0.00 5.55 0.13 -1.70 -1.42 132.00 138.19 2wg2 h PRO 361 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2wg2 h PRO 361 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2wg2 h PRO 361 CO 0.69 0.06 -0.11 -2.39 -0.23 0.00 0.00 178.00 176.02 2wg2 n HIS 362 N -3.24 0.00 -2.95 1.56 1.44 -1.26 -4.91 115.22 105.87 2wg2 n HIS 362 Ca -0.00 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.35 2wg2 n HIS 362 Cb 0.29 -0.18 -0.06 0.00 0.12 0.00 0.00 29.99 30.16 2wg2 n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wg2 s ALA 363 N -2.46 3.29 1.01 1.59 0.00 -0.54 -5.08 121.76 119.57 2wg2 s ALA 363 Ca 0.29 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 2wg2 s ALA 363 Cb 0.20 -2.99 0.23 0.00 0.00 0.00 0.00 23.12 20.56 2wg2 s ALA 363 CO 0.47 0.25 1.33 0.27 0.00 0.00 0.00 175.76 178.07 2wg2 n ASN 364 N 0.44 0.02 -0.33 0.00 0.23 -1.26 -4.80 115.26 109.56 2wg2 n ASN 364 Ca 0.01 -1.47 -0.04 0.00 -0.53 0.00 0.00 54.58 52.55 2wg2 n ASN 364 Cb 0.51 -1.02 0.08 0.00 -2.08 0.00 0.00 39.78 37.28 2wg2 n ASN 364 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wg2 h ASP 365 N -1.79 1.13 -0.70 0.53 5.19 -1.99 -1.04 116.42 117.74 2wg2 h ASP 365 Ca -0.43 -0.11 0.01 0.00 -0.62 0.00 0.00 57.03 55.87 2wg2 h ASP 365 Cb 1.19 -0.29 -0.04 0.00 0.18 0.00 0.00 39.33 40.38 2wg2 h ASP 365 CO 0.30 0.92 0.46 0.25 -3.12 0.00 0.00 179.24 178.06 2wg2 h LEU 366 N 1.25 0.80 -0.61 1.55 5.85 -1.99 -0.82 115.31 121.35 2wg2 h LEU 366 Ca 0.31 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2wg2 h LEU 366 Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2wg2 h LEU 366 CO -0.05 0.58 0.30 1.23 -0.34 0.00 0.00 178.44 180.17 2wg2 h GLY 367 N 0.95 0.94 1.01 3.75 0.00 -1.72 -0.41 103.07 107.58 2wg2 h GLY 367 Ca 0.26 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2wg2 h GLY 367 CO -0.06 0.44 0.45 1.41 0.00 0.00 0.00 176.54 178.78 2wg2 h LEU 368 N 0.84 0.87 -0.90 3.11 3.38 -0.90 -1.11 115.31 120.59 2wg2 h LEU 368 Ca 0.21 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2wg2 h LEU 368 Cb 0.11 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2wg2 h LEU 368 CO -0.03 0.66 0.59 0.44 0.09 0.00 0.00 178.44 180.19 2wg2 h ASP 369 N 0.99 0.99 -0.32 -0.43 3.32 -0.62 -0.96 116.42 119.38 2wg2 h ASP 369 Ca 0.26 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 2wg2 h ASP 369 Cb -0.05 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2wg2 h ASP 369 CO -0.05 0.69 0.19 0.00 -1.72 0.00 0.00 179.24 178.35 2wg2 h ALA 370 N 1.36 0.41 -0.03 3.45 0.00 -0.33 -1.04 119.26 123.08 2wg2 h ALA 370 Ca 0.35 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wg2 h ALA 370 Cb -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wg2 h ALA 370 CO -0.11 -0.09 0.01 0.28 0.00 0.00 0.00 179.25 179.35 2wg2 h VAL 371 N 0.42 1.09 -0.48 0.00 2.07 -0.98 -1.32 116.25 117.05 2wg2 h VAL 371 Ca 0.12 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2wg2 h VAL 371 Cb 0.01 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2wg2 h VAL 371 CO -0.02 0.07 0.16 0.74 0.02 0.00 0.00 177.57 178.54 2wg2 h THR 372 N -0.06 0.82 -0.79 2.57 2.02 -1.07 -1.36 112.91 115.03 2wg2 h THR 372 Ca 0.01 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 2wg2 h THR 372 Cb 0.11 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2wg2 h THR 372 CO -0.00 0.06 0.35 0.25 0.37 0.00 0.00 175.52 176.55 2wg2 h LEU 373 N 0.33 1.06 -1.26 2.58 5.85 -1.05 -0.68 115.31 122.13 2wg2 h LEU 373 Ca 0.23 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2wg2 h LEU 373 Cb 0.26 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2wg2 h LEU 373 CO -0.25 0.91 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.93 2wg2 h GLN 374 N 1.13 0.23 -0.22 1.25 5.75 -0.59 -3.25 115.11 119.40 2wg2 h GLN 374 Ca 0.27 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2wg2 h GLN 374 Cb 0.16 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2wg2 h GLN 374 CO -0.03 0.44 0.00 0.66 -2.65 0.00 0.00 178.83 177.25 2wg2 n TYR 375 N -4.20 0.29 -3.87 3.99 4.02 -0.57 -4.97 117.16 111.85 2wg2 n TYR 375 Ca -0.01 -0.32 -0.35 0.00 -0.01 0.00 0.00 57.90 57.21 2wg2 n TYR 375 Cb 0.33 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.54 2wg2 n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2wg2 s THR 376 N -0.96 5.05 -0.72 -0.72 2.01 -0.29 -4.85 115.64 115.16 2wg2 s THR 376 Ca 0.19 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 2wg2 s THR 376 Cb 0.11 -3.29 0.05 0.00 0.01 0.00 0.00 72.50 69.37 2wg2 s THR 376 CO 0.15 0.44 1.14 -0.62 -0.69 0.00 0.00 174.62 175.04 2wg2 s ASP 377 N 0.45 6.18 0.00 3.53 -1.08 -1.26 -4.89 116.67 119.60 2wg2 s ASP 377 Ca 0.05 -0.75 0.21 0.00 -0.52 0.00 0.00 52.55 51.54 2wg2 s ASP 377 Cb -0.12 -2.49 1.10 0.00 -1.46 0.00 0.00 42.92 39.94 2wg2 s ASP 377 CO -0.00 -1.64 1.66 0.79 0.52 0.00 0.00 175.17 176.50 2wg2 n TRP 378 N 8.57 0.00 1.11 -5.34 7.02 -1.26 -1.32 117.44 126.23 2wg2 n TRP 378 Ca 0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.63 2wg2 n TRP 378 Cb 0.47 -0.22 0.51 0.00 -2.42 0.00 0.00 31.31 29.65 2wg2 n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2wg2 n MET 379 N -1.22 0.18 -2.70 -0.99 2.81 -1.26 -4.52 117.12 109.41 2wg2 n MET 379 Ca 0.11 -0.05 -0.07 0.00 -1.81 0.00 0.00 57.70 55.88 2wg2 n MET 379 Cb 0.15 -1.50 0.09 0.00 -0.71 0.00 0.00 33.22 31.25 2wg2 n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2wg2 n ASP 380 N -1.36 -1.94 0.04 7.83 2.03 -0.43 -5.03 116.55 117.69 2wg2 n ASP 380 Ca 0.09 -2.83 0.13 0.00 0.52 0.00 0.00 54.79 52.69 2wg2 n ASP 380 Cb 0.32 1.42 0.51 0.00 -0.72 0.00 0.00 41.12 42.65 2wg2 n ASP 380 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2wg2 n ASP 381 N -0.07 0.32 -1.42 1.67 5.75 -0.88 -2.98 116.55 118.94 2wg2 n ASP 381 Ca -0.02 0.54 0.10 0.00 -0.01 0.00 0.00 54.79 55.40 2wg2 n ASP 381 Cb 0.76 -0.62 0.33 0.00 -1.03 0.00 0.00 41.12 40.56 2wg2 n ASP 381 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wg2 n ASN 382 N -1.81 4.29 -4.64 -1.12 3.02 -1.26 -4.73 115.26 109.01 2wg2 n ASN 382 Ca 0.06 -2.22 -0.43 0.00 -0.03 0.00 0.00 54.58 51.96 2wg2 n ASN 382 Cb 0.35 -0.52 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 2wg2 n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2wg2 s ASN 383 N -0.98 6.82 0.28 6.41 3.84 -1.16 -4.91 114.94 125.25 2wg2 s ASN 383 Ca 0.49 1.21 0.04 0.00 0.21 0.00 0.00 52.86 54.81 2wg2 s ASN 383 Cb 0.28 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.86 2wg2 s ASN 383 CO 0.28 -0.95 1.70 1.23 -2.79 0.00 0.00 177.10 176.58 2wg2 h GLY 384 N 10.37 0.42 0.65 1.21 0.00 -1.92 -0.80 103.07 113.01 2wg2 h GLY 384 Ca -0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 2wg2 h GLY 384 CO 1.02 0.33 -0.04 -2.22 0.00 0.00 0.00 176.54 175.64 2wg2 h ILE 385 N 0.33 1.33 -0.88 2.60 1.08 -1.91 -0.32 117.51 119.74 2wg2 h ILE 385 Ca 0.04 -1.06 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2wg2 h ILE 385 Cb 0.75 1.89 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 2wg2 h ILE 385 CO 0.06 0.29 0.57 0.11 -0.69 0.00 0.00 178.15 178.49 2wg2 h LYS 386 N -0.24 1.17 -0.53 2.37 1.57 -1.91 0.11 116.57 119.12 2wg2 h LYS 386 Ca 0.02 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2wg2 h LYS 386 Cb 0.49 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 2wg2 h LYS 386 CO 0.01 0.79 0.09 -0.91 -0.57 0.00 0.00 179.45 178.86 2wg2 h ASN 387 N 1.20 0.84 0.13 0.86 2.35 -1.15 0.22 115.58 120.03 2wg2 h ASN 387 Ca 0.32 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2wg2 h ASN 387 Cb -0.11 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.04 2wg2 h ASN 387 CO -0.07 0.88 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.44 2wg2 h ARG 388 N 0.76 -0.17 -0.44 0.81 2.43 -0.90 -2.09 114.38 114.78 2wg2 h ARG 388 Ca 0.16 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2wg2 h ARG 388 Cb 0.40 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 2wg2 h ARG 388 CO 0.01 0.03 0.11 -0.44 -1.51 0.00 0.00 179.97 178.17 2wg2 h ASP 389 N -0.34 0.61 -0.55 -3.80 3.32 -0.76 -2.31 116.42 112.59 2wg2 h ASP 389 Ca -0.02 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.95 2wg2 h ASP 389 Cb 0.27 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2wg2 h ASP 389 CO 0.03 0.60 0.36 1.23 -1.72 0.00 0.00 179.24 179.74 2wg2 h GLY 390 N 0.85 0.78 0.99 2.75 0.00 -0.43 -1.66 103.07 106.36 2wg2 h GLY 390 Ca 0.15 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 2wg2 h GLY 390 CO -0.00 0.27 0.01 1.41 0.00 0.00 0.00 176.54 178.22 2wg2 h LEU 391 N 0.73 0.82 -0.40 3.11 3.38 -1.06 0.39 115.31 122.29 2wg2 h LEU 391 Ca 0.21 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2wg2 h LEU 391 Cb -0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.40 2wg2 h LEU 391 CO -0.05 0.92 0.04 -0.78 0.09 0.00 0.00 178.44 178.65 2wg2 h ASP 392 N 0.69 -0.08 -0.45 -0.43 3.58 -1.29 -1.09 116.42 117.34 2wg2 h ASP 392 Ca 0.14 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.66 2wg2 h ASP 392 Cb 0.50 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2wg2 h ASP 392 CO 0.02 -0.01 0.25 0.44 -2.88 0.00 0.00 179.24 177.07 2wg2 h ASP 393 N 0.15 0.57 -0.19 2.28 3.32 -1.02 0.17 116.42 121.70 2wg2 h ASP 393 Ca 0.20 -0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.19 2wg2 h ASP 393 Cb 0.26 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2wg2 h ASP 393 CO -0.29 0.49 -0.02 0.40 -1.72 0.00 0.00 179.24 178.10 2wg2 h ILE 394 N 0.60 0.85 -0.19 0.35 2.04 -0.51 0.24 117.51 120.89 2wg2 h ILE 394 Ca 0.16 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.95 2wg2 h ILE 394 Cb 0.05 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2wg2 h ILE 394 CO -0.03 0.01 -0.10 0.58 0.00 0.00 0.00 178.15 178.61 2wg2 h VAL 395 N 0.04 1.31 -0.01 1.67 2.07 -1.08 -1.11 116.25 119.15 2wg2 h VAL 395 Ca 0.09 -1.16 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 2wg2 h VAL 395 Cb 0.12 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2wg2 h VAL 395 CO -0.17 0.35 0.00 1.23 0.02 0.00 0.00 177.57 179.01 2wg2 h GLY 396 N 0.08 0.01 0.89 2.17 0.00 -0.82 -1.73 103.07 103.68 2wg2 h GLY 396 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 2wg2 h GLY 396 CO 0.03 0.00 0.04 -0.55 0.00 0.00 0.00 176.54 176.06 2wg2 h ASP 397 N -0.05 0.10 -0.54 0.19 3.32 -0.53 -0.03 116.42 118.88 2wg2 h ASP 397 Ca 0.00 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 2wg2 h ASP 397 Cb 0.06 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2wg2 h ASP 397 CO -0.00 0.20 0.08 -0.74 -1.72 0.00 0.00 179.24 177.06 2wg2 h HIS 398 N -0.00 0.96 0.00 4.55 2.76 -1.23 0.53 115.15 122.72 2wg2 h HIS 398 Ca 0.03 -0.14 -0.19 0.00 -2.20 0.00 0.00 60.37 57.87 2wg2 h HIS 398 Cb 0.12 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 2wg2 h HIS 398 CO -0.03 0.86 -1.87 0.09 -1.30 0.00 0.00 177.93 175.68 2wg2 n ASN 399 N -4.36 0.37 0.05 3.26 3.02 -0.65 -4.48 115.26 112.48 2wg2 n ASN 399 Ca 0.02 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2wg2 n ASN 399 Cb 0.27 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 2wg2 n ASN 399 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wg2 n VAL 400 N -2.69 0.51 0.01 2.41 0.31 -0.18 -4.57 118.33 114.14 2wg2 n VAL 400 Ca -0.16 0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 2wg2 n VAL 400 Cb 0.87 -1.02 -0.09 0.00 -0.91 0.00 0.00 33.84 32.69 2wg2 n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wg2 h ILE 401 N 0.00 1.22 -0.41 2.52 2.04 -1.21 -1.53 117.51 120.15 2wg2 h ILE 401 Ca 0.00 -0.70 -0.13 0.00 1.00 0.00 0.00 64.86 65.04 2wg2 h ILE 401 Cb 0.00 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2wg2 h ILE 401 CO 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 178.15 178.09 2wg2 h PRO 403 N 0.70 0.86 -0.51 0.00 0.11 -1.72 -0.57 132.00 130.87 2wg2 h PRO 403 Ca 0.09 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2wg2 h PRO 403 Cb 0.81 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2wg2 h PRO 403 CO 0.07 0.57 0.31 1.25 -0.21 0.00 0.00 178.00 179.99 2wg2 h LEU 404 N 0.89 0.62 -1.30 2.35 6.46 -0.99 -0.28 115.31 123.07 2wg2 h LEU 404 Ca 0.29 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2wg2 h LEU 404 Cb 0.02 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 2wg2 h LEU 404 CO -0.11 0.50 0.32 0.24 -0.62 0.00 0.00 178.44 178.77 2wg2 h MET 405 N 0.69 0.80 -0.33 1.25 2.86 -0.55 0.17 114.93 119.82 2wg2 h MET 405 Ca 0.18 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 2wg2 h MET 405 Cb -0.01 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2wg2 h MET 405 CO -0.03 0.59 -0.08 1.25 1.06 0.00 0.00 176.91 179.69 2wg2 h HIS 406 N 0.81 0.71 -0.14 -0.22 -0.00 -0.60 -1.94 115.15 113.78 2wg2 h HIS 406 Ca 0.21 -0.15 0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2wg2 h HIS 406 Cb 0.02 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 2wg2 h HIS 406 CO 0.00 0.81 -0.03 0.35 -0.00 0.00 0.00 177.93 179.06 2wg2 h PHE 407 N 0.41 -0.07 -0.57 5.26 3.57 -0.46 -1.64 116.94 123.44 2wg2 h PHE 407 Ca 0.08 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.68 2wg2 h PHE 407 Cb 0.58 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2wg2 h PHE 407 CO 0.05 -0.05 0.18 0.28 -2.23 0.00 0.00 178.31 176.54 2wg2 h VAL 408 N 0.00 0.76 -0.20 1.41 2.07 -0.54 0.11 116.25 119.86 2wg2 h VAL 408 Ca 0.07 -0.12 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 2wg2 h VAL 408 Cb 0.10 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2wg2 h VAL 408 CO -0.14 0.06 -0.59 0.78 0.02 0.00 0.00 177.57 177.70 2wg2 h ASN 409 N 0.35 0.86 -0.66 0.57 4.21 -1.20 -1.22 115.58 118.50 2wg2 h ASN 409 Ca 0.28 -0.59 -0.06 0.00 1.21 0.00 0.00 56.30 57.15 2wg2 h ASN 409 Cb 0.36 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.28 2wg2 h ASN 409 CO -0.31 1.30 0.19 0.11 -1.29 0.00 0.00 177.43 177.43 2wg2 h LYS 410 N 0.47 1.03 -0.10 0.81 1.79 -0.98 -3.22 116.57 116.36 2wg2 h LYS 410 Ca -0.02 -0.23 -0.03 0.00 -2.18 0.00 0.00 60.65 58.20 2wg2 h LYS 410 Cb 1.21 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2wg2 h LYS 410 CO 0.13 0.90 -0.04 -0.92 -1.08 0.00 0.00 179.45 178.44 2wg2 h TYR 411 N 0.96 0.24 -0.21 -1.35 3.20 -0.74 -3.17 116.97 115.90 2wg2 h TYR 411 Ca 0.21 -0.06 0.06 0.00 3.14 0.00 0.00 58.73 62.08 2wg2 h TYR 411 Cb 0.31 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2wg2 h TYR 411 CO 0.02 0.54 0.23 1.15 -1.64 0.00 0.00 178.16 178.46 2wg2 h THR 412 N -0.13 0.46 -0.41 1.81 2.02 -1.26 0.97 112.91 116.37 2wg2 h THR 412 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2wg2 h THR 412 Cb 0.47 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2wg2 h THR 412 CO 0.01 0.00 0.12 0.50 0.37 0.00 0.00 175.52 176.52 2wg2 h LYS 413 N 0.00 0.60 0.00 6.66 3.64 -1.56 -3.32 116.57 122.59 2wg2 h LYS 413 Ca 0.10 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wg2 h LYS 413 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2wg2 h LYS 413 CO -0.00 0.54 -0.94 1.19 -2.27 0.00 0.00 179.45 177.96 2wg2 n PHE 414 N -4.34 0.00 -1.76 1.91 3.72 -0.27 -5.08 117.46 111.64 2wg2 n PHE 414 Ca 0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 2wg2 n PHE 414 Cb 0.18 -0.10 0.17 0.00 -0.94 0.00 0.00 39.48 38.79 2wg2 n PHE 414 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wg2 n GLY 415 N 1.74 -1.44 0.67 1.37 0.00 0.18 -4.86 105.19 102.85 2wg2 n GLY 415 Ca -0.00 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.39 2wg2 n GLY 415 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wg2 n ASN 416 N -3.71 3.30 0.00 1.61 4.05 -0.02 -4.89 115.26 115.60 2wg2 n ASN 416 Ca 0.14 -2.63 0.00 0.00 0.45 0.00 0.00 54.58 52.54 2wg2 n ASN 416 Cb 0.48 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 41.09 2wg2 n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2wg2 n GLY 417 N -0.27 3.65 3.17 8.20 0.00 -1.24 -4.64 105.19 114.04 2wg2 n GLY 417 Ca 0.16 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2wg2 n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wg2 s THR 418 N 0.00 1.85 -0.16 2.61 2.01 -1.26 -0.59 115.64 120.10 2wg2 s THR 418 Ca 0.00 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2wg2 s THR 418 Cb 0.00 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.91 2wg2 s THR 418 CO 0.00 0.51 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.93 2wg2 s TYR 419 N 0.48 2.63 -0.10 4.92 2.02 -0.36 0.58 117.35 127.52 2wg2 s TYR 419 Ca -0.16 -1.46 0.00 0.00 -0.37 0.00 0.00 57.07 55.08 2wg2 s TYR 419 Cb -0.17 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 2wg2 s TYR 419 CO 0.06 -0.71 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.06 2wg2 s LEU 420 N 1.14 2.93 0.20 -1.29 2.96 -1.26 -0.78 118.68 122.57 2wg2 s LEU 420 Ca 0.00 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 53.80 2wg2 s LEU 420 Cb -0.14 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2wg2 s LEU 420 CO -0.08 0.26 -0.13 -0.72 -1.32 0.00 0.00 176.35 174.35 2wg2 s TYR 421 N -0.20 1.66 -0.26 5.38 -0.85 -0.02 -2.43 117.35 120.63 2wg2 s TYR 421 Ca 0.01 -0.61 -0.00 0.00 -0.52 0.00 0.00 57.07 55.95 2wg2 s TYR 421 Cb -0.13 -0.79 0.08 0.00 0.38 0.00 0.00 41.96 41.50 2wg2 s TYR 421 CO 0.03 0.31 0.03 0.12 -1.52 0.00 0.00 175.55 174.52 2wg2 s PHE 422 N -3.03 2.00 -0.26 -3.49 5.36 0.15 -2.37 117.98 116.34 2wg2 s PHE 422 Ca 0.22 -1.67 -0.24 0.00 -0.96 0.00 0.00 56.93 54.28 2wg2 s PHE 422 Cb -0.00 -1.63 -0.01 0.00 -0.34 0.00 0.00 43.02 41.04 2wg2 s PHE 422 CO 0.06 -0.79 0.79 0.12 -1.46 0.00 0.00 175.22 173.94 2wg2 s PHE 423 N 1.52 3.29 -0.12 10.12 5.36 0.72 -1.21 117.98 137.66 2wg2 s PHE 423 Ca 0.02 1.02 0.24 0.00 -0.96 0.00 0.00 56.93 57.25 2wg2 s PHE 423 Cb -0.18 -3.04 0.46 0.00 -0.34 0.00 0.00 43.02 39.92 2wg2 s PHE 423 CO -0.13 -0.42 1.15 0.27 -1.46 0.00 0.00 175.22 174.63 2wg2 n ASN 424 N 5.99 1.32 -4.60 6.13 6.94 -1.01 -1.31 115.26 128.73 2wg2 n ASN 424 Ca 0.04 -2.09 -0.36 0.00 -0.02 0.00 0.00 54.58 52.15 2wg2 n ASN 424 Cb 0.48 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.41 2wg2 n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 2wg2 s HIS 425 N -1.70 3.23 -0.28 -2.53 2.46 -1.24 -4.91 115.29 110.32 2wg2 s HIS 425 Ca 0.32 0.04 -0.21 0.00 0.47 0.00 0.00 55.06 55.67 2wg2 s HIS 425 Cb 0.36 -2.25 -0.01 0.00 -0.13 0.00 0.00 32.58 30.55 2wg2 s HIS 425 CO -0.11 -0.05 0.66 0.50 -2.47 0.00 0.00 174.74 173.27 2wg2 s ARG 426 N 1.19 4.00 0.30 2.88 6.06 -1.26 -4.87 118.95 127.25 2wg2 s ARG 426 Ca 0.06 0.46 -0.29 0.00 -2.50 0.00 0.00 55.73 53.46 2wg2 s ARG 426 Cb -0.14 -3.70 -0.10 0.00 0.06 0.00 0.00 34.95 31.07 2wg2 s ARG 426 CO 0.05 -0.53 1.37 0.00 -2.50 0.00 0.00 175.30 173.69 2wg2 s ALA 427 N 2.63 3.55 0.53 6.12 0.00 -1.26 -4.89 121.76 128.44 2wg2 s ALA 427 Ca 0.27 1.30 0.26 0.00 0.00 0.00 0.00 51.96 53.79 2wg2 s ALA 427 Cb -0.15 -3.52 1.59 0.00 0.00 0.00 0.00 23.12 21.04 2wg2 s ALA 427 CO 0.10 -0.71 2.18 0.66 0.00 0.00 0.00 175.76 178.00 2wg2 h SER 428 N 4.02 0.00 -0.31 0.00 4.64 -1.95 -2.47 113.55 117.48 2wg2 h SER 428 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2wg2 h SER 428 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2wg2 h SER 428 CO 0.70 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.24 2wg2 n ASN 429 N -3.96 4.07 -4.75 4.97 0.23 -1.26 -5.03 115.26 109.53 2wg2 n ASN 429 Ca -0.03 -2.92 -0.41 0.00 -0.53 0.00 0.00 54.58 50.69 2wg2 n ASN 429 Cb 0.13 -0.54 -0.02 0.00 -2.08 0.00 0.00 39.78 37.27 2wg2 n ASN 429 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2wg2 s LEU 430 N -2.67 4.35 0.10 -4.53 1.98 -0.93 -4.92 118.68 112.07 2wg2 s LEU 430 Ca 0.43 2.91 0.23 0.00 -2.89 0.00 0.00 54.13 54.81 2wg2 s LEU 430 Cb 0.33 -3.64 0.06 0.00 0.66 0.00 0.00 46.19 43.61 2wg2 s LEU 430 CO 0.11 -0.87 1.05 1.33 -1.89 0.00 0.00 176.35 176.07 2wg2 n VAL 431 N 2.02 0.33 -1.99 1.68 0.24 -1.26 -4.92 118.33 114.44 2wg2 n VAL 431 Ca 0.07 -0.36 -0.32 0.00 -2.04 0.00 0.00 64.34 61.69 2wg2 n VAL 431 Cb 0.38 -0.05 0.01 0.00 -1.47 0.00 0.00 33.84 32.71 2wg2 n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2wg2 s TRP 432 N -3.27 3.18 0.68 6.34 0.52 -1.26 -4.98 118.94 120.14 2wg2 s TRP 432 Ca 0.02 1.46 -0.17 0.00 0.02 0.00 0.00 56.10 57.43 2wg2 s TRP 432 Cb 0.13 -2.90 0.01 0.00 -1.15 0.00 0.00 33.47 29.55 2wg2 s TRP 432 CO 0.79 -0.94 1.22 -1.25 0.02 0.00 0.00 176.95 176.79 2wg2 s PRO 433 N -4.42 2.46 0.37 4.98 0.04 -1.26 -4.92 135.00 132.24 2wg2 s PRO 433 Ca 0.60 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.57 2wg2 s PRO 433 Cb -0.14 -1.87 0.87 0.00 0.04 0.00 0.00 34.50 33.41 2wg2 s PRO 433 CO 0.42 -1.60 1.86 1.49 0.04 0.00 0.00 177.00 179.21 2wg2 h GLU 434 N 0.19 0.61 -0.04 4.56 4.57 -1.95 -2.12 114.58 120.41 2wg2 h GLU 434 Ca -0.49 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2wg2 h GLU 434 Cb 1.30 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2wg2 h GLU 434 CO 0.52 0.40 0.03 0.11 -1.18 0.00 0.00 179.01 178.90 2wg2 h TRP 435 N 0.63 0.00 0.00 0.92 5.08 -1.91 -1.98 115.95 118.69 2wg2 h TRP 435 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 2wg2 h TRP 435 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 2wg2 h TRP 435 CO -0.00 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.68 2wg2 h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.75 -3.48 114.93 112.68 2wg2 h MET 436 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wg2 h MET 436 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 2wg2 h MET 436 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2wg2 n GLY 437 N 0.47 2.32 3.34 8.32 0.00 -0.75 -4.30 105.19 114.59 2wg2 n GLY 437 Ca 0.02 -0.37 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 2wg2 n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wg2 s VAL 438 N 0.00 5.15 0.37 1.61 1.01 -1.26 -4.89 120.40 122.38 2wg2 s VAL 438 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 61.98 60.20 2wg2 s VAL 438 Cb 0.00 -4.43 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 2wg2 s VAL 438 CO 0.00 -1.01 0.93 -0.63 0.00 0.00 0.00 175.10 174.38 2wg2 s ILE 439 N 1.68 4.34 -0.49 2.22 1.01 -1.26 -1.19 121.20 127.51 2wg2 s ILE 439 Ca 0.10 1.60 -0.44 0.00 0.00 0.00 0.00 60.65 61.91 2wg2 s ILE 439 Cb -0.23 -3.79 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 2wg2 s ILE 439 CO 0.01 -0.09 1.91 1.57 0.00 0.00 0.00 174.94 178.34 2wg2 n HIS 440 N -0.04 1.35 0.00 3.97 -0.00 -1.22 -1.19 115.22 118.08 2wg2 n HIS 440 Ca 0.04 0.89 0.00 0.00 -0.00 0.00 0.00 57.72 58.65 2wg2 n HIS 440 Cb 0.52 -2.22 0.00 0.00 -0.00 0.00 0.00 29.99 28.29 2wg2 n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wg2 n GLY 441 N 6.13 0.38 0.65 1.57 0.00 -1.26 -4.96 105.19 107.71 2wg2 n GLY 441 Ca 0.46 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.59 2wg2 n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wg2 n TYR 442 N -1.69 0.20 0.27 1.61 4.02 -0.34 -2.66 117.16 118.57 2wg2 n TYR 442 Ca 0.00 -0.10 0.12 0.00 -0.01 0.00 0.00 57.90 57.91 2wg2 n TYR 442 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.49 2wg2 n TYR 442 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 2wg2 h GLU 443 N 2.74 0.00 -0.94 -0.72 9.09 -1.93 -3.38 114.58 119.44 2wg2 h GLU 443 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.42 2wg2 h GLU 443 Cb 0.60 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.65 2wg2 h GLU 443 CO 0.00 0.00 0.61 0.82 0.05 0.00 0.00 179.01 180.49 2wg2 h ILE 444 N 0.00 1.24 -0.01 -1.06 2.04 -1.91 -0.65 117.51 117.17 2wg2 h ILE 444 Ca 0.00 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2wg2 h ILE 444 Cb 0.96 -0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2wg2 h ILE 444 CO 0.00 0.24 -0.10 1.05 0.00 0.00 0.00 178.15 179.34 2wg2 h GLU 445 N 1.27 0.02 -0.01 2.37 4.11 -1.79 -0.35 114.58 120.20 2wg2 h GLU 445 Ca 0.34 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.52 2wg2 h GLU 445 Cb -0.13 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.13 2wg2 h GLU 445 CO -0.07 0.12 -0.98 0.74 0.07 0.00 0.00 179.01 178.89 2wg2 h PHE 446 N 0.02 1.00 -0.59 2.06 -1.00 -1.40 -1.68 116.94 115.35 2wg2 h PHE 446 Ca 0.00 -0.54 -0.04 0.00 2.81 0.00 0.00 57.97 60.21 2wg2 h PHE 446 Cb 0.19 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 2wg2 h PHE 446 CO 0.00 1.37 0.22 0.28 -1.61 0.00 0.00 178.31 178.57 2wg2 h VAL 447 N 0.34 1.21 -0.24 -0.55 2.07 -0.53 -2.74 116.25 115.82 2wg2 h VAL 447 Ca -0.12 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.71 2wg2 h VAL 447 Cb 1.64 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2wg2 h VAL 447 CO 0.19 0.27 0.00 0.49 0.02 0.00 0.00 177.57 178.54 2wg2 n PHE 448 N -4.31 0.31 -1.63 1.57 3.01 -0.22 -4.59 117.46 111.60 2wg2 n PHE 448 Ca 0.05 -0.15 -0.09 0.00 1.01 0.00 0.00 57.45 58.27 2wg2 n PHE 448 Cb 0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.62 2wg2 n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wg2 n GLY 449 N 1.19 0.63 0.29 1.37 0.00 -1.03 -4.14 105.19 103.49 2wg2 n GLY 449 Ca 0.16 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.62 2wg2 n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wg2 h LEU 450 N 0.00 0.43 0.00 0.99 3.38 -1.58 -2.12 115.31 116.40 2wg2 h LEU 450 Ca -0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2wg2 h LEU 450 Cb 0.81 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2wg2 h LEU 450 CO 0.26 0.38 0.00 -2.65 0.09 0.00 0.00 178.44 176.51 2wg2 n PRO 451 N -4.42 0.16 0.05 1.13 -0.02 -1.26 -1.38 135.00 129.26 2wg2 n PRO 451 Ca 0.02 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 2wg2 n PRO 451 Cb 0.12 -1.50 0.31 0.00 -0.02 0.00 0.00 33.50 32.41 2wg2 n PRO 451 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wg2 n LEU 452 N -1.19 0.59 -4.57 2.45 4.32 -0.80 -4.20 117.00 113.60 2wg2 n LEU 452 Ca 0.05 0.31 -0.43 0.00 -0.02 0.00 0.00 56.01 55.92 2wg2 n LEU 452 Cb 0.05 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.52 2wg2 n LEU 452 CO 0.06 -0.05 0.58 -0.69 -1.22 0.00 0.00 177.39 176.07 2wg2 s VAL 453 N -3.10 4.69 0.20 4.08 1.01 -0.48 -4.97 120.40 121.83 2wg2 s VAL 453 Ca 0.09 0.71 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 2wg2 s VAL 453 Cb 0.15 -4.26 0.16 0.00 0.00 0.00 0.00 36.38 32.43 2wg2 s VAL 453 CO 0.66 -0.56 1.59 0.50 0.00 0.00 0.00 175.10 177.29 2wg2 h LYS 454 N 8.70 -0.12 0.00 2.72 3.64 -1.87 -1.90 116.57 127.73 2wg2 h LYS 454 Ca -0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2wg2 h LYS 454 Cb 1.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2wg2 h LYS 454 CO 0.94 -0.08 0.00 0.39 -2.27 0.00 0.00 179.45 178.43 2wg2 n GLU 455 N -5.44 0.08 0.00 1.90 4.71 -1.26 -2.19 120.64 118.43 2wg2 n GLU 455 Ca 0.05 0.54 0.13 0.00 -0.01 0.00 0.00 57.16 57.87 2wg2 n GLU 455 Cb 0.36 -1.74 0.39 0.00 -1.01 0.00 0.00 31.44 29.44 2wg2 n GLU 455 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2wg2 n LEU 456 N -1.91 0.94 -2.01 -4.62 4.77 -0.71 -4.97 117.00 108.48 2wg2 n LEU 456 Ca -0.00 -0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 55.62 2wg2 n LEU 456 Cb 0.05 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2wg2 n LEU 456 CO 0.07 0.18 0.03 0.59 -1.33 0.00 0.00 177.39 176.93 2wg2 n ASN 457 N -0.73 -4.39 -4.91 -1.43 3.02 -0.93 -5.00 115.26 100.89 2wg2 n ASN 457 Ca 0.12 -0.20 -0.28 0.00 -0.03 0.00 0.00 54.58 54.19 2wg2 n ASN 457 Cb 0.34 -3.21 0.02 0.00 -0.61 0.00 0.00 39.78 36.32 2wg2 n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wg2 s TYR 458 N -2.97 3.37 0.75 3.10 2.02 -1.26 -4.70 117.35 117.65 2wg2 s TYR 458 Ca 0.22 0.81 -0.12 0.00 -0.37 0.00 0.00 57.07 57.61 2wg2 s TYR 458 Cb -0.10 -2.70 0.04 0.00 -0.40 0.00 0.00 41.96 38.81 2wg2 s TYR 458 CO 0.27 -0.75 1.13 0.95 -1.57 0.00 0.00 175.55 175.58 2wg2 s THR 459 N -3.01 2.88 0.24 -0.71 -4.23 -1.26 -4.91 115.64 104.63 2wg2 s THR 459 Ca 0.53 0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2wg2 s THR 459 Cb -0.11 -3.28 0.22 0.00 1.34 0.00 0.00 72.50 70.67 2wg2 s THR 459 CO 0.47 -0.37 1.83 0.00 -0.54 0.00 0.00 174.62 176.01 2wg2 h ALA 460 N -0.82 1.20 -0.13 3.99 0.00 -1.98 -1.88 119.26 119.63 2wg2 h ALA 460 Ca -0.45 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2wg2 h ALA 460 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2wg2 h ALA 460 CO 0.65 0.20 -0.26 0.93 0.00 0.00 0.00 179.25 180.77 2wg2 h GLU 461 N 0.90 0.24 -0.23 0.00 3.07 -1.98 -2.04 114.58 114.54 2wg2 h GLU 461 Ca 0.39 -0.08 -0.19 0.00 -0.50 0.00 0.00 59.36 58.98 2wg2 h GLU 461 Cb 0.26 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2wg2 h GLU 461 CO -0.21 0.49 -0.62 0.93 -1.40 0.00 0.00 179.01 178.20 2wg2 h GLU 462 N 0.21 0.80 -0.47 2.33 5.08 -1.78 -0.46 114.58 120.29 2wg2 h GLU 462 Ca 0.03 -0.55 0.05 0.00 -1.00 0.00 0.00 59.36 57.90 2wg2 h GLU 462 Cb 0.58 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2wg2 h GLU 462 CO 0.04 1.17 0.20 1.49 -1.00 0.00 0.00 179.01 180.91 2wg2 h GLU 463 N 0.59 0.39 -0.53 2.33 4.81 -1.10 -0.46 114.58 120.60 2wg2 h GLU 463 Ca -0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2wg2 h GLU 463 Cb 1.22 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 2wg2 h GLU 463 CO 0.13 0.26 0.30 0.00 -0.73 0.00 0.00 179.01 178.97 2wg2 h ALA 464 N 1.28 0.68 -0.55 2.92 0.00 -1.20 0.06 119.26 122.45 2wg2 h ALA 464 Ca 0.21 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wg2 h ALA 464 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2wg2 h ALA 464 CO -0.18 0.19 0.33 1.25 0.00 0.00 0.00 179.25 180.83 2wg2 h LEU 465 N 0.71 0.54 -0.33 0.00 5.85 -0.78 -0.86 115.31 120.44 2wg2 h LEU 465 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2wg2 h LEU 465 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2wg2 h LEU 465 CO -0.03 0.38 0.21 -1.28 -0.34 0.00 0.00 178.44 177.37 2wg2 h SER 466 N 0.66 0.39 -0.89 1.25 0.87 -0.59 -0.59 113.55 114.63 2wg2 h SER 466 Ca 0.22 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2wg2 h SER 466 Cb 0.02 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2wg2 h SER 466 CO -0.10 0.30 0.58 0.03 -0.53 0.00 0.00 176.83 177.12 2wg2 h ARG 467 N 0.43 1.19 -0.49 2.24 3.08 -0.79 0.11 114.38 120.16 2wg2 h ARG 467 Ca 0.12 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2wg2 h ARG 467 Cb -0.02 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 2wg2 h ARG 467 CO -0.02 0.80 0.29 -0.09 -1.07 0.00 0.00 179.97 179.87 2wg2 h ARG 468 N 1.22 0.66 0.04 0.04 2.43 -0.85 -1.61 114.38 116.31 2wg2 h ARG 468 Ca 0.33 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2wg2 h ARG 468 Cb -0.12 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2wg2 h ARG 468 CO -0.07 0.50 -0.02 0.82 -1.51 0.00 0.00 179.97 179.69 2wg2 h ILE 469 N 0.65 1.26 -1.00 1.20 2.04 -0.56 -0.82 117.51 120.27 2wg2 h ILE 469 Ca 0.17 -0.96 0.16 0.00 1.00 0.00 0.00 64.86 65.23 2wg2 h ILE 469 Cb 0.01 1.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.89 2wg2 h ILE 469 CO -0.03 0.24 0.62 0.24 0.00 0.00 0.00 178.15 179.22 2wg2 h MET 470 N -0.47 0.84 -0.23 2.37 2.86 -0.80 -0.02 114.93 119.47 2wg2 h MET 470 Ca -0.01 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.38 2wg2 h MET 470 Cb 0.43 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2wg2 h MET 470 CO 0.01 0.55 -0.65 1.25 1.06 0.00 0.00 176.91 179.13 2wg2 h HIS 471 N 0.86 1.10 0.03 -0.22 -0.00 -1.15 -0.63 115.15 115.14 2wg2 h HIS 471 Ca 0.53 -0.43 0.01 0.00 -0.00 0.00 0.00 60.37 60.48 2wg2 h HIS 471 Cb 0.71 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.91 2wg2 h HIS 471 CO -0.00 1.27 -0.10 1.88 -0.00 0.00 0.00 177.93 180.98 2wg2 h TYR 472 N 0.62 -0.25 0.11 5.26 0.05 -0.50 -0.64 116.97 121.63 2wg2 h TYR 472 Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2wg2 h TYR 472 Cb 1.27 0.11 0.00 0.00 1.01 0.00 0.00 36.73 39.12 2wg2 h TYR 472 CO 0.08 -0.15 -0.06 -1.49 -1.05 0.00 0.00 178.16 175.49 2wg2 h TRP 473 N -0.18 -0.14 -0.46 4.88 -0.00 -0.96 0.36 115.95 119.44 2wg2 h TRP 473 Ca 0.03 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.81 2wg2 h TRP 473 Cb 0.21 0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.40 2wg2 h TRP 473 CO -0.15 -0.06 -0.12 0.00 -0.00 0.00 0.00 178.44 178.11 2wg2 h ALA 474 N 0.70 0.91 -0.43 1.49 0.00 -1.16 0.37 119.26 121.14 2wg2 h ALA 474 Ca -0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2wg2 h ALA 474 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wg2 h ALA 474 CO 0.03 0.63 -0.13 1.15 0.00 0.00 0.00 179.25 180.93 2wg2 h THR 475 N 0.77 1.27 -0.41 0.00 2.02 -1.04 -0.70 112.91 114.82 2wg2 h THR 475 Ca 0.12 -1.24 0.04 0.00 0.77 0.00 0.00 66.41 66.10 2wg2 h THR 475 Cb 0.63 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 2wg2 h THR 475 CO 0.04 0.42 0.18 0.15 0.37 0.00 0.00 175.52 176.69 2wg2 h PHE 476 N 0.66 0.33 -0.91 3.16 3.57 -0.77 -0.65 116.94 122.33 2wg2 h PHE 476 Ca 0.10 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2wg2 h PHE 476 Cb 0.67 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2wg2 h PHE 476 CO 0.05 0.16 0.60 0.00 -2.23 0.00 0.00 178.31 176.88 2wg2 h ALA 477 N 1.24 1.42 -0.34 2.41 0.00 -0.54 0.15 119.26 123.60 2wg2 h ALA 477 Ca 0.18 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2wg2 h ALA 477 Cb 0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wg2 h ALA 477 CO -0.15 0.50 -0.38 0.87 0.00 0.00 0.00 179.25 180.08 2wg2 h LYS 478 N 1.15 0.87 0.00 0.00 1.57 -0.66 -3.41 116.57 116.08 2wg2 h LYS 478 Ca 0.36 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2wg2 h LYS 478 Cb 0.01 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2wg2 h LYS 478 CO -0.11 1.11 -0.28 0.25 -0.57 0.00 0.00 179.45 179.86 2wg2 n THR 479 N -4.11 0.00 -0.67 -0.16 -2.24 -0.30 -5.01 114.28 101.80 2wg2 n THR 479 Ca -0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2wg2 n THR 479 Cb 0.54 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 2wg2 n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wg2 n GLY 480 N 1.03 0.70 3.03 3.38 0.00 0.52 -5.03 105.19 108.81 2wg2 n GLY 480 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2wg2 n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wg2 s ASN 481 N -2.19 0.15 0.26 1.61 3.84 -1.25 -4.92 114.94 112.43 2wg2 s ASN 481 Ca 0.00 0.58 0.24 0.00 0.21 0.00 0.00 52.86 53.89 2wg2 s ASN 481 Cb 0.00 0.62 0.96 0.00 -0.55 0.00 0.00 41.25 42.28 2wg2 s ASN 481 CO 0.00 -0.22 1.73 -0.81 -2.79 0.00 0.00 177.10 175.01 2wg2 n PRO 482 N 4.99 0.21 -2.97 0.43 -0.04 -1.26 -3.06 135.00 133.29 2wg2 n PRO 482 Ca -0.12 0.40 -0.40 0.00 -0.04 0.00 0.00 63.50 63.33 2wg2 n PRO 482 Cb 0.51 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 2wg2 n PRO 482 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wg2 s ASN 483 N -4.31 7.08 0.12 3.54 0.01 -1.26 -4.41 114.94 115.70 2wg2 s ASN 483 Ca 0.05 1.30 -0.31 0.00 -0.71 0.00 0.00 52.86 53.19 2wg2 s ASN 483 Cb 0.10 -2.45 -0.09 0.00 0.41 0.00 0.00 41.25 39.22 2wg2 s ASN 483 CO 0.42 -0.14 1.67 -1.61 -1.51 0.00 0.00 177.10 175.93 2wg2 s GLU 484 N 0.81 4.19 0.42 -0.60 0.41 -1.26 -4.97 118.70 117.69 2wg2 s GLU 484 Ca 0.41 2.41 -0.26 0.00 -0.41 0.00 0.00 54.97 57.11 2wg2 s GLU 484 Cb -0.18 -3.43 -0.09 0.00 -1.78 0.00 0.00 34.13 28.64 2wg2 s GLU 484 CO 0.20 -0.72 1.39 -2.14 -0.49 0.00 0.00 175.26 173.50 2wg2 s PRO 485 N 2.12 3.89 -1.57 0.39 0.02 -1.26 -3.02 135.00 135.57 2wg2 s PRO 485 Ca 0.74 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.99 2wg2 s PRO 485 Cb -0.43 -2.77 0.09 0.00 0.02 0.00 0.00 34.50 31.41 2wg2 s PRO 485 CO 0.33 -0.62 0.67 -2.39 -0.33 0.00 0.00 177.00 174.65 2wg2 n HIS 486 N 0.08 -1.78 -3.85 6.54 1.44 -1.26 -5.00 115.22 111.40 2wg2 n HIS 486 Ca 0.04 0.79 -0.21 0.00 -2.01 0.00 0.00 57.72 56.33 2wg2 n HIS 486 Cb 0.42 -3.38 -0.02 0.00 0.12 0.00 0.00 29.99 27.13 2wg2 n HIS 486 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2wg2 s SER 487 N -3.71 5.87 0.26 4.39 1.04 -1.17 -5.04 113.70 115.35 2wg2 s SER 487 Ca 0.45 -0.17 0.21 0.00 0.48 0.00 0.00 55.95 56.92 2wg2 s SER 487 Cb -0.24 -1.44 0.09 0.00 0.10 0.00 0.00 66.02 64.52 2wg2 s SER 487 CO 0.90 -0.20 1.23 1.56 0.98 0.00 0.00 173.24 177.71 2wg2 h GLN 488 N 1.19 0.00 -7.08 4.02 7.50 -1.94 -3.48 115.11 115.31 2wg2 h GLN 488 Ca -0.48 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.13 2wg2 h GLN 488 Cb 1.24 0.00 0.19 0.00 0.05 0.00 0.00 27.48 28.96 2wg2 h GLN 488 CO 0.58 0.12 0.11 0.39 -1.50 0.00 0.00 178.83 178.53 2wg2 n GLU 489 N -2.92 0.05 -2.05 1.46 -0.58 -1.26 -4.93 120.64 110.41 2wg2 n GLU 489 Ca -0.00 0.09 -0.41 0.00 -0.42 0.00 0.00 57.16 56.42 2wg2 n GLU 489 Cb 0.62 -2.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.19 2wg2 n GLU 489 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2wg2 s SER 490 N -2.09 6.70 0.13 1.62 1.04 -1.26 -4.98 113.70 114.86 2wg2 s SER 490 Ca 0.69 2.67 -0.24 0.00 0.48 0.00 0.00 55.95 59.55 2wg2 s SER 490 Cb -0.28 -2.63 -0.07 0.00 0.10 0.00 0.00 66.02 63.13 2wg2 s SER 490 CO 0.55 -0.64 0.72 -0.54 0.98 0.00 0.00 173.24 174.31 2wg2 s LYS 491 N -0.89 4.47 -0.51 4.02 1.02 -1.26 -5.03 119.74 121.56 2wg2 s LYS 491 Ca 0.55 1.04 -0.27 0.00 0.02 0.00 0.00 55.97 57.32 2wg2 s LYS 491 Cb -0.41 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.67 2wg2 s LYS 491 CO 0.47 0.56 1.04 -0.46 -0.92 0.00 0.00 175.35 176.04 2wg2 s TRP 492 N -1.03 2.80 0.58 3.18 -0.11 -1.26 -5.02 118.94 118.07 2wg2 s TRP 492 Ca 0.34 0.39 -0.16 0.00 1.22 0.00 0.00 56.10 57.89 2wg2 s TRP 492 Cb -0.22 -4.23 -0.04 0.00 -1.50 0.00 0.00 33.47 27.48 2wg2 s TRP 492 CO 0.24 -1.30 1.05 -1.25 -4.62 0.00 0.00 176.95 171.08 2wg2 s PRO 493 N 4.23 3.38 0.30 5.86 0.04 -1.26 -4.88 135.00 142.67 2wg2 s PRO 493 Ca 0.40 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 2wg2 s PRO 493 Cb -0.09 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.30 2wg2 s PRO 493 CO 0.26 -0.76 1.52 -1.17 0.04 0.00 0.00 177.00 176.89 2wg2 s LEU 494 N -4.39 4.35 -0.09 -3.56 2.96 -1.26 -4.70 118.68 112.00 2wg2 s LEU 494 Ca 0.64 2.88 -0.30 0.00 -0.22 0.00 0.00 54.13 57.14 2wg2 s LEU 494 Cb -0.16 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 2wg2 s LEU 494 CO 0.35 -0.83 1.18 0.12 -1.32 0.00 0.00 176.35 175.85 2wg2 s PHE 495 N -0.28 3.18 0.19 5.38 2.19 0.20 -4.54 117.98 124.29 2wg2 s PHE 495 Ca 0.59 1.23 0.10 0.00 0.33 0.00 0.00 56.93 59.19 2wg2 s PHE 495 Cb -0.46 -3.40 -0.04 0.00 -1.31 0.00 0.00 43.02 37.81 2wg2 s PHE 495 CO 0.50 -1.22 -0.21 0.95 1.83 0.00 0.00 175.22 177.06 2wg2 s THR 496 N 2.44 2.13 0.37 0.12 -4.23 -1.26 -4.34 115.64 110.87 2wg2 s THR 496 Ca 0.54 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.17 2wg2 s THR 496 Cb -0.23 -2.01 0.34 0.00 1.34 0.00 0.00 72.50 71.94 2wg2 s THR 496 CO 0.20 -0.22 1.82 0.74 -0.54 0.00 0.00 174.62 176.63 2wg2 h THR 497 N 3.17 0.71 0.04 3.99 2.02 -1.95 0.24 112.91 121.13 2wg2 h THR 497 Ca -0.44 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.43 2wg2 h THR 497 Cb 1.21 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2wg2 h THR 497 CO 0.50 0.11 -0.43 0.50 0.37 0.00 0.00 175.52 176.56 2wg2 h LYS 498 N 0.59 0.22 0.00 6.66 3.64 -2.01 -3.39 116.57 122.28 2wg2 h LYS 498 Ca 0.51 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2wg2 h LYS 498 Cb 1.02 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2wg2 h LYS 498 CO -0.26 1.06 -1.47 0.39 -2.27 0.00 0.00 179.45 176.91 2wg2 n GLU 499 N -4.36 0.85 -4.16 1.90 1.02 -1.16 -5.02 120.64 109.70 2wg2 n GLU 499 Ca -0.11 -0.11 -0.34 0.00 -0.02 0.00 0.00 57.16 56.58 2wg2 n GLU 499 Cb 0.63 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 2wg2 n GLU 499 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2wg2 n GLN 500 N -1.88 -3.27 -2.81 3.49 6.02 0.82 -4.53 117.38 115.22 2wg2 n GLN 500 Ca -0.01 0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 57.02 2wg2 n GLN 500 Cb 0.37 -4.97 -0.07 0.00 1.02 0.00 0.00 30.24 26.60 2wg2 n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2wg2 s LYS 501 N -6.85 4.28 0.17 -1.09 1.02 -1.26 -1.59 119.74 114.42 2wg2 s LYS 501 Ca 0.57 1.16 -0.11 0.00 0.02 0.00 0.00 55.97 57.62 2wg2 s LYS 501 Cb -0.31 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2wg2 s LYS 501 CO 0.92 0.01 0.33 -0.59 -0.92 0.00 0.00 175.35 175.10 2wg2 s PHE 502 N -2.08 0.31 0.21 3.18 -0.71 -0.14 -4.15 117.98 114.60 2wg2 s PHE 502 Ca 0.60 -0.67 0.09 0.00 -1.04 0.00 0.00 56.93 55.91 2wg2 s PHE 502 Cb -0.11 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2wg2 s PHE 502 CO 0.15 -0.77 -0.05 0.96 -1.34 0.00 0.00 175.22 174.18 2wg2 s ILE 503 N -3.95 3.36 0.59 -4.49 -4.36 -1.02 -0.15 121.20 111.18 2wg2 s ILE 503 Ca 0.16 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 58.72 2wg2 s ILE 503 Cb 0.02 -2.72 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 2wg2 s ILE 503 CO -0.00 -0.22 0.97 -1.81 0.24 0.00 0.00 174.94 174.12 2wg2 s ASP 504 N -3.19 6.21 -0.29 4.36 1.01 -1.05 -0.68 116.67 123.04 2wg2 s ASP 504 Ca 0.28 1.29 -0.01 0.00 0.71 0.00 0.00 52.55 54.82 2wg2 s ASP 504 Cb -0.08 -2.39 0.09 0.00 1.01 0.00 0.00 42.92 41.55 2wg2 s ASP 504 CO 0.18 -0.82 0.08 -0.76 0.21 0.00 0.00 175.17 174.06 2wg2 s LEU 505 N -5.08 2.26 0.00 1.23 1.43 -0.35 -4.68 118.68 113.49 2wg2 s LEU 505 Ca 0.53 -1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.01 2wg2 s LEU 505 Cb -0.11 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.25 2wg2 s LEU 505 CO 0.52 -0.39 0.61 -0.46 0.23 0.00 0.00 176.35 176.86 2wg2 n ASN 506 N 4.83 -1.76 0.00 2.29 0.23 -1.26 -2.40 115.26 117.18 2wg2 n ASN 506 Ca -0.03 -2.62 0.11 0.00 -0.53 0.00 0.00 54.58 51.51 2wg2 n ASN 506 Cb 0.43 3.05 0.54 0.00 -2.08 0.00 0.00 39.78 41.72 2wg2 n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2wg2 n THR 507 N -0.52 0.34 -2.90 5.53 -2.24 -1.26 -4.81 114.28 108.42 2wg2 n THR 507 Ca -0.04 0.08 -0.24 0.00 -2.27 0.00 0.00 64.05 61.58 2wg2 n THR 507 Cb 0.55 -0.72 0.01 0.00 -2.10 0.00 0.00 70.33 68.07 2wg2 n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wg2 s GLU 508 N -2.60 3.08 0.20 -0.78 2.02 -1.26 -5.01 118.70 114.34 2wg2 s GLU 508 Ca 0.20 -0.38 -0.33 0.00 0.02 0.00 0.00 54.97 54.48 2wg2 s GLU 508 Cb 0.15 -2.51 -0.14 0.00 0.10 0.00 0.00 34.13 31.72 2wg2 s GLU 508 CO 0.34 -0.32 1.43 -2.30 0.02 0.00 0.00 175.26 174.43 2wg2 n PRO 509 N -2.15 1.92 -1.63 0.39 -0.02 -1.26 -4.85 135.00 127.39 2wg2 n PRO 509 Ca 0.02 0.69 -0.46 0.00 -2.02 0.00 0.00 63.50 61.72 2wg2 n PRO 509 Cb 0.57 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2wg2 n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2wg2 n MET 510 N 2.47 1.69 -4.45 -0.52 1.56 -1.26 -5.01 117.12 111.60 2wg2 n MET 510 Ca 0.14 0.60 -0.29 0.00 -0.27 0.00 0.00 57.70 57.88 2wg2 n MET 510 Cb 0.29 -2.20 -0.13 0.00 2.15 0.00 0.00 33.22 33.33 2wg2 n MET 510 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2wg2 s LYS 511 N -0.38 1.62 -0.13 2.12 1.02 -1.26 -5.03 119.74 117.70 2wg2 s LYS 511 Ca 0.70 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.35 2wg2 s LYS 511 Cb -0.73 -2.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 2wg2 s LYS 511 CO 0.50 0.47 0.22 0.08 -0.92 0.00 0.00 175.35 175.71 2wg2 s VAL 512 N -1.04 5.36 0.37 3.17 1.01 -1.26 -2.53 120.40 125.48 2wg2 s VAL 512 Ca 0.15 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2wg2 s VAL 512 Cb -0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2wg2 s VAL 512 CO 0.07 0.52 0.07 -1.00 0.00 0.00 0.00 175.10 174.76 2wg2 s HIS 513 N -0.38 1.93 0.06 5.22 0.09 0.79 -4.97 115.29 118.03 2wg2 s HIS 513 Ca 0.15 -1.04 0.03 0.00 -0.00 0.00 0.00 55.06 54.21 2wg2 s HIS 513 Cb -0.13 -1.30 -0.03 0.00 -0.00 0.00 0.00 32.58 31.13 2wg2 s HIS 513 CO 0.04 -0.04 -0.10 -0.65 -0.00 0.00 0.00 174.74 173.99 2wg2 s GLN 514 N -3.83 0.68 -0.97 1.40 -0.21 -1.26 -0.97 119.66 114.51 2wg2 s GLN 514 Ca 0.30 -0.89 -0.05 0.00 0.02 0.00 0.00 55.36 54.74 2wg2 s GLN 514 Cb 0.06 -0.52 -0.05 0.00 1.00 0.00 0.00 33.01 33.50 2wg2 s GLN 514 CO 0.14 0.10 0.86 0.54 -2.12 0.00 0.00 175.29 174.81 2wg2 n ARG 515 N 1.26 -2.02 -1.64 2.91 1.74 -0.62 -4.84 116.66 113.45 2wg2 n ARG 515 Ca -0.21 0.99 -0.49 0.00 -0.77 0.00 0.00 57.85 57.37 2wg2 n ARG 515 Cb 0.55 -5.75 -0.05 0.00 -1.02 0.00 0.00 32.46 26.19 2wg2 n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wg2 n LEU 516 N -2.89 3.22 -4.15 0.55 7.94 -1.26 -2.46 117.00 117.94 2wg2 n LEU 516 Ca -0.05 0.82 -0.35 0.00 -1.11 0.00 0.00 56.01 55.32 2wg2 n LEU 516 Cb 0.59 -1.37 -0.03 0.00 0.53 0.00 0.00 43.42 43.15 2wg2 n LEU 516 CO 0.57 -0.22 -0.05 0.54 -1.11 0.00 0.00 177.39 177.12 2wg2 n ARG 517 N 7.04 -2.75 -0.31 1.96 1.74 -1.26 -4.83 116.66 118.25 2wg2 n ARG 517 Ca 0.26 0.33 -0.04 0.00 -0.77 0.00 0.00 57.85 57.63 2wg2 n ARG 517 Cb 0.29 -5.03 0.07 0.00 -1.02 0.00 0.00 32.46 26.78 2wg2 n ARG 517 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wg2 h VAL 518 N -1.29 1.24 0.46 1.55 3.04 -1.86 -0.44 116.25 118.95 2wg2 h VAL 518 Ca -0.56 -0.58 -0.02 0.00 -1.01 0.00 0.00 66.70 64.53 2wg2 h VAL 518 Cb 1.36 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2wg2 h VAL 518 CO 0.76 0.26 -0.26 -0.61 -1.01 0.00 0.00 177.57 176.72 2wg2 h GLN 519 N 1.15 -0.65 -0.28 4.17 5.75 -1.88 -1.25 115.11 122.12 2wg2 h GLN 519 Ca 0.29 0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.78 2wg2 h GLN 519 Cb 0.01 0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2wg2 h GLN 519 CO -0.05 -0.43 -0.08 0.52 -2.65 0.00 0.00 178.83 176.14 2wg2 h MET 520 N -0.67 0.45 0.00 1.69 2.86 -1.90 -2.86 114.93 114.49 2wg2 h MET 520 Ca -0.06 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 2wg2 h MET 520 Cb 0.54 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2wg2 h MET 520 CO 0.07 0.54 -0.34 0.00 1.06 0.00 0.00 176.91 178.25 2wg2 h VAL 522 N 0.00 1.26 0.12 0.00 2.07 -1.01 0.17 116.25 118.85 2wg2 h VAL 522 Ca -0.00 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2wg2 h VAL 522 Cb 0.94 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2wg2 h VAL 522 CO 0.04 0.39 -0.06 0.15 0.02 0.00 0.00 177.57 178.12 2wg2 h PHE 523 N 0.84 -0.15 -0.03 1.57 3.57 -1.20 -0.71 116.94 120.82 2wg2 h PHE 523 Ca 0.15 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.47 2wg2 h PHE 523 Cb 0.53 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2wg2 h PHE 523 CO 0.03 -0.01 -0.75 -1.49 -2.23 0.00 0.00 178.31 173.86 2wg2 h TRP 524 N -0.26 0.32 0.00 0.41 4.06 -0.90 0.20 115.95 119.78 2wg2 h TRP 524 Ca -0.02 -0.15 -0.20 0.00 2.06 0.00 0.00 58.89 60.58 2wg2 h TRP 524 Cb 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.29 2wg2 h TRP 524 CO -0.04 0.90 -1.84 0.09 -3.56 0.00 0.00 178.44 173.99 2wg2 n ASN 525 N -3.76 0.42 0.02 -3.49 3.02 0.57 -4.42 115.26 107.63 2wg2 n ASN 525 Ca -0.03 0.19 -0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2wg2 n ASN 525 Cb 0.72 0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 40.67 2wg2 n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wg2 n GLN 526 N -2.72 0.01 0.12 3.52 3.00 -0.40 -4.79 117.38 116.12 2wg2 n GLN 526 Ca -0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.72 2wg2 n GLN 526 Cb 0.89 -0.52 -0.07 0.00 0.00 0.00 0.00 30.24 30.54 2wg2 n GLN 526 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2wg2 h PHE 527 N -0.02 -0.35 -0.24 1.08 3.57 -1.09 -3.00 116.94 116.89 2wg2 h PHE 527 Ca -0.01 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2wg2 h PHE 527 Cb 0.50 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2wg2 h PHE 527 CO -0.01 0.01 0.05 1.25 -2.23 0.00 0.00 178.31 177.38 2wg2 h LEU 528 N -0.91 0.02 -1.03 0.59 5.85 -1.21 0.11 115.31 118.73 2wg2 h LEU 528 Ca -0.04 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.79 2wg2 h LEU 528 Cb 0.51 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2wg2 h LEU 528 CO 0.06 0.04 0.64 -0.65 -0.34 0.00 0.00 178.44 178.19 2wg2 h PRO 529 N 0.14 1.10 -0.20 5.25 0.11 -1.77 0.12 132.00 136.75 2wg2 h PRO 529 Ca 0.11 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2wg2 h PRO 529 Cb 0.11 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2wg2 h PRO 529 CO -0.14 0.73 0.08 -0.22 -0.21 0.00 0.00 178.00 178.24 2wg2 h LYS 530 N 1.13 0.29 -0.36 1.05 3.64 -1.23 -0.85 116.57 120.25 2wg2 h LYS 530 Ca 0.44 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.83 2wg2 h LYS 530 Cb 0.22 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 2wg2 h LYS 530 CO -0.18 0.35 -0.01 1.25 -2.27 0.00 0.00 179.45 178.58 2wg2 h LEU 531 N 0.17 -0.18 -0.94 5.20 6.46 -0.00 -1.74 115.31 124.28 2wg2 h LEU 531 Ca 0.07 0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 2wg2 h LEU 531 Cb 0.16 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 2wg2 h LEU 531 CO -0.01 -0.05 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.58 2wg2 h LEU 532 N 0.08 0.63 -1.12 2.25 3.38 -0.66 -1.89 115.31 117.98 2wg2 h LEU 532 Ca 0.17 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2wg2 h LEU 532 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2wg2 h LEU 532 CO -0.30 0.78 -0.18 -1.13 0.09 0.00 0.00 178.44 177.69 2wg2 h ASN 533 N 0.59 0.00 0.07 -0.43 -0.73 -0.80 -3.27 115.58 111.02 2wg2 h ASN 533 Ca 0.10 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.05 2wg2 h ASN 533 Cb 0.54 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 2wg2 h ASN 533 CO 0.03 0.18 -1.18 0.00 -0.37 0.00 0.00 177.43 176.10 2wg2 h ALA 534 N 1.82 0.18 -0.01 1.57 0.00 -0.97 -3.51 119.26 118.33 2wg2 h ALA 534 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2wg2 h ALA 534 Cb 0.72 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2wg2 h ALA 534 CO 0.02 0.68 0.00 0.25 0.00 0.00 0.00 179.25 180.21