#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx6 h ALA 14 N 0.00 1.05 0.00 2.24 0.00 -2.02 -2.06 119.26 118.47 2wx6 h ALA 14 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wx6 h ALA 14 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wx6 h ALA 14 CO 0.00 0.03 -0.12 0.07 0.00 0.00 0.00 179.25 179.23 2wx6 h ARG 15 N 0.00 0.00 -0.35 0.00 0.11 -1.98 -2.81 114.38 109.35 2wx6 h ARG 15 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wx6 h ARG 15 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2wx6 h ARG 15 CO 0.00 0.12 0.00 0.09 0.10 0.00 0.00 179.97 180.28 2wx6 n ASN 16 N -3.31 2.25 -4.73 0.08 3.02 -0.78 -0.11 115.26 111.69 2wx6 n ASN 16 Ca -0.00 -1.91 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 2wx6 n ASN 16 Cb 0.34 -0.23 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 2wx6 n ASN 16 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wx6 s GLU 17 N -1.53 4.56 -0.06 3.52 2.02 -1.06 -4.89 118.70 121.25 2wx6 s GLU 17 Ca 0.31 1.24 0.04 0.00 0.02 0.00 0.00 54.97 56.58 2wx6 s GLU 17 Cb 0.17 -3.41 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 2wx6 s GLU 17 CO 0.23 0.13 -0.18 0.15 0.02 0.00 0.00 175.26 175.61 2wx6 s LYS 18 N 0.40 2.62 -0.12 1.61 1.02 -1.26 -0.44 119.74 123.58 2wx6 s LYS 18 Ca 0.44 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 2wx6 s LYS 18 Cb -0.21 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 2wx6 s LYS 18 CO 0.25 0.49 0.01 -0.65 -0.92 0.00 0.00 175.35 174.53 2wx6 s GLN 19 N -0.40 3.35 0.02 1.68 -1.52 -1.26 -4.95 119.66 116.58 2wx6 s GLN 19 Ca 0.04 -0.40 -0.30 0.00 -1.95 0.00 0.00 55.36 52.74 2wx6 s GLN 19 Cb -0.12 -2.92 -0.06 0.00 -0.22 0.00 0.00 33.01 29.69 2wx6 s GLN 19 CO 0.02 0.53 1.33 -1.25 -0.25 0.00 0.00 175.29 175.67 2wx6 s PRO 20 N -0.38 4.33 -0.07 2.91 0.04 -1.26 -4.81 135.00 135.75 2wx6 s PRO 20 Ca 0.08 1.90 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 2wx6 s PRO 20 Cb -0.12 -3.48 -0.22 0.00 0.04 0.00 0.00 34.50 30.72 2wx6 s PRO 20 CO 0.02 -0.48 1.01 0.35 0.04 0.00 0.00 177.00 177.94 2wx6 h PHE 21 N 7.43 -0.03 -4.13 0.56 3.57 -1.94 -3.41 116.94 118.99 2wx6 h PHE 21 Ca -0.39 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.61 2wx6 h PHE 21 Cb 1.19 0.01 0.05 0.00 2.79 0.00 0.00 35.95 39.99 2wx6 h PHE 21 CO 0.72 0.64 0.33 0.71 -2.23 0.00 0.00 178.31 178.47 2wx6 s TYR 22 N -3.35 3.57 -5.00 0.41 2.02 -1.26 -4.51 117.35 109.23 2wx6 s TYR 22 Ca -0.16 1.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 2wx6 s TYR 22 Cb -0.00 -2.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 2wx6 s TYR 22 CO 0.64 -0.63 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 2wx6 n GLY 23 N -2.63 0.27 0.27 0.71 0.00 -0.55 -4.92 105.19 98.33 2wx6 n GLY 23 Ca 0.05 -1.65 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 2wx6 n GLY 23 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wx6 h GLU 24 N 3.29 0.62 -5.36 1.61 4.81 -1.87 -3.29 114.58 114.39 2wx6 h GLU 24 Ca 0.00 -0.18 -0.40 0.00 -0.13 0.00 0.00 59.36 58.65 2wx6 h GLU 24 Cb 0.00 -0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.15 2wx6 h GLU 24 CO 0.00 0.71 -0.74 -1.01 -0.73 0.00 0.00 179.01 177.23 2wx6 s HIS 25 N -4.80 1.42 0.57 0.92 3.76 -1.26 -2.12 115.29 113.76 2wx6 s HIS 25 Ca -0.08 -0.60 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 2wx6 s HIS 25 Cb 0.14 -0.72 -0.05 0.00 1.11 0.00 0.00 32.58 33.07 2wx6 s HIS 25 CO 0.79 0.16 1.15 -0.65 -0.85 0.00 0.00 174.74 175.35 2wx6 s GLN 26 N -3.06 3.20 0.97 1.40 -0.21 -1.26 -4.40 119.66 116.30 2wx6 s GLN 26 Ca 0.13 1.66 -0.12 0.00 0.02 0.00 0.00 55.36 57.04 2wx6 s GLN 26 Cb -0.03 -1.98 0.17 0.00 1.00 0.00 0.00 33.01 32.18 2wx6 s GLN 26 CO 0.03 -0.98 1.11 0.00 -2.12 0.00 0.00 175.29 173.33 2wx6 s ALA 27 N -1.76 1.27 0.00 6.09 0.00 -1.26 -4.32 121.76 121.78 2wx6 s ALA 27 Ca 0.74 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2wx6 s ALA 27 Cb -0.26 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2wx6 s ALA 27 CO 0.30 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 173.83 2wx6 n GLY 28 N -1.55 0.81 0.51 0.00 0.00 -1.26 -4.46 105.19 99.23 2wx6 n GLY 28 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 2wx6 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wx6 n ILE 29 N -2.07 1.23 0.39 -0.61 5.41 -1.26 -4.72 119.36 117.73 2wx6 n ILE 29 Ca 0.00 0.26 0.12 0.00 1.00 0.00 0.00 62.75 64.13 2wx6 n ILE 29 Cb 0.00 -1.93 0.17 0.00 -0.71 0.00 0.00 39.64 37.17 2wx6 n ILE 29 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wx6 h LEU 30 N -0.49 0.00 -9.56 1.39 4.07 -1.91 -3.48 115.31 105.33 2wx6 h LEU 30 Ca 0.00 -0.08 -0.58 0.00 0.08 0.00 0.00 57.88 57.30 2wx6 h LEU 30 Cb 0.49 0.00 0.07 0.00 1.08 0.00 0.00 40.66 42.30 2wx6 h LEU 30 CO 0.00 0.04 0.73 0.41 -1.08 0.00 0.00 178.44 178.54 2wx6 n THR 31 N -2.47 0.46 -1.58 0.22 -1.04 -1.26 -4.91 114.28 103.70 2wx6 n THR 31 Ca 0.03 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.05 61.54 2wx6 n THR 31 Cb 0.48 -1.55 0.04 0.00 -1.82 0.00 0.00 70.33 67.49 2wx6 n THR 31 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2wx6 n PRO 32 N 2.76 0.88 -2.34 -2.82 -0.02 -1.26 -4.83 135.00 127.37 2wx6 n PRO 32 Ca 0.14 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2wx6 n PRO 32 Cb 0.31 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2wx6 n PRO 32 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wx6 s GLN 33 N -2.49 4.33 0.61 -0.52 -0.21 -1.26 -4.99 119.66 115.12 2wx6 s GLN 33 Ca 0.72 1.83 -0.10 0.00 0.02 0.00 0.00 55.36 57.83 2wx6 s GLN 33 Cb -0.44 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.00 2wx6 s GLN 33 CO 0.50 -0.49 1.00 -0.65 -2.12 0.00 0.00 175.29 173.54 2wx6 s GLN 34 N 2.16 3.48 0.43 2.91 1.11 -1.26 -4.61 119.66 123.88 2wx6 s GLN 34 Ca 0.60 0.62 0.18 0.00 0.01 0.00 0.00 55.36 56.77 2wx6 s GLN 34 Cb -0.29 -2.12 1.00 0.00 -1.01 0.00 0.00 33.01 30.60 2wx6 s GLN 34 CO 0.25 -0.59 1.93 0.00 0.01 0.00 0.00 175.29 176.89 2wx6 h ALA 35 N -0.29 1.38 -4.12 6.09 0.00 -1.75 -3.42 119.26 117.15 2wx6 h ALA 35 Ca -0.45 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 53.54 2wx6 h ALA 35 Cb 1.20 -0.04 -0.24 0.00 0.00 0.00 0.00 17.79 18.71 2wx6 h ALA 35 CO 0.62 0.32 -0.86 0.00 0.00 0.00 0.00 179.25 179.33 2wx6 s ALA 36 N -4.22 2.38 0.07 0.00 0.00 -0.20 -2.46 121.76 117.32 2wx6 s ALA 36 Ca -0.03 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 2wx6 s ALA 36 Cb 0.14 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2wx6 s ALA 36 CO 0.67 0.55 0.25 0.00 0.00 0.00 0.00 175.76 177.23 2wx6 s MET 37 N -1.51 0.82 -0.07 0.00 0.00 -0.18 -1.47 119.30 116.89 2wx6 s MET 37 Ca 0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 55.69 55.06 2wx6 s MET 37 Cb -0.10 0.35 0.03 0.00 0.00 0.00 0.00 34.83 35.11 2wx6 s MET 37 CO 0.04 -0.27 0.17 1.41 0.00 0.00 0.00 175.02 176.37 2wx6 s MET 38 N -3.15 0.14 -0.22 3.16 -2.45 0.01 -0.72 119.30 116.07 2wx6 s MET 38 Ca -0.01 0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 54.70 2wx6 s MET 38 Cb 0.01 -0.07 -0.04 0.00 1.25 0.00 0.00 34.83 35.99 2wx6 s MET 38 CO -0.07 -0.11 0.08 -0.51 1.05 0.00 0.00 175.02 175.46 2wx6 s LEU 39 N 0.78 3.68 -0.15 4.11 1.43 -0.05 -0.90 118.68 127.57 2wx6 s LEU 39 Ca -0.06 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 2wx6 s LEU 39 Cb -0.07 -1.97 0.04 0.00 0.03 0.00 0.00 46.19 44.22 2wx6 s LEU 39 CO -0.04 0.06 -0.06 -0.69 0.23 0.00 0.00 176.35 175.84 2wx6 s VAL 40 N 1.08 1.11 0.03 -1.59 1.01 -0.33 -0.87 120.40 120.83 2wx6 s VAL 40 Ca 0.05 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2wx6 s VAL 40 Cb -0.14 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2wx6 s VAL 40 CO 0.03 0.20 0.26 0.00 0.00 0.00 0.00 175.10 175.59 2wx6 s ALA 41 N 1.65 3.88 0.03 5.51 0.00 0.71 -1.39 121.76 132.14 2wx6 s ALA 41 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2wx6 s ALA 41 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 2wx6 s ALA 41 CO -0.08 0.69 -0.15 -0.06 0.00 0.00 0.00 175.76 176.16 2wx6 s PHE 42 N -1.38 1.31 -0.05 0.00 0.08 -0.39 0.44 117.98 117.99 2wx6 s PHE 42 Ca 0.30 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 56.78 2wx6 s PHE 42 Cb -0.13 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 2wx6 s PHE 42 CO 0.19 0.03 0.71 -0.51 -0.10 0.00 0.00 175.22 175.54 2wx6 s ASP 43 N -0.98 7.02 -0.12 1.36 1.01 0.11 -1.78 116.67 123.27 2wx6 s ASP 43 Ca 0.03 1.22 -0.27 0.00 0.71 0.00 0.00 52.55 54.24 2wx6 s ASP 43 Cb -0.07 -2.42 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 2wx6 s ASP 43 CO 0.01 -0.10 0.89 -0.69 0.21 0.00 0.00 175.17 175.50 2wx6 s VAL 44 N 0.67 4.86 -2.89 -1.27 1.01 -1.26 0.29 120.40 121.82 2wx6 s VAL 44 Ca 0.38 1.80 0.24 0.00 0.00 0.00 0.00 61.98 64.40 2wx6 s VAL 44 Cb -0.18 -4.21 0.26 0.00 0.00 0.00 0.00 36.38 32.25 2wx6 s VAL 44 CO 0.19 0.05 1.34 0.18 0.00 0.00 0.00 175.10 176.85 2wx6 n LEU 45 N 4.92 2.83 -4.78 3.92 4.77 0.27 -4.95 117.00 123.98 2wx6 n LEU 45 Ca 0.06 -0.97 -0.41 0.00 -0.03 0.00 0.00 56.01 54.65 2wx6 n LEU 45 Cb 0.49 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2wx6 n LEU 45 CO 0.50 0.49 1.16 0.00 -1.33 0.00 0.00 177.39 178.21 2wx6 s ALA 46 N -1.96 3.60 0.03 -1.18 0.00 -1.23 -4.81 121.76 116.21 2wx6 s ALA 46 Ca 0.30 1.59 -0.11 0.00 0.00 0.00 0.00 51.96 53.74 2wx6 s ALA 46 Cb 0.20 -3.62 -0.33 0.00 0.00 0.00 0.00 23.12 19.38 2wx6 s ALA 46 CO 0.31 -1.07 0.97 0.77 0.00 0.00 0.00 175.76 176.73 2wx6 h SER 47 N 3.22 0.67 -5.65 0.00 0.02 -1.93 -3.47 113.55 106.41 2wx6 h SER 47 Ca -0.50 -0.77 -0.31 0.00 -0.84 0.00 0.00 61.79 59.36 2wx6 h SER 47 Cb 1.24 -0.22 -0.12 0.00 0.14 0.00 0.00 62.40 63.44 2wx6 h SER 47 CO 0.66 1.62 -0.43 1.51 -1.14 0.00 0.00 176.83 179.04 2wx6 s ASP 48 N -7.38 0.82 0.53 3.07 1.47 -1.26 -4.86 116.67 109.06 2wx6 s ASP 48 Ca -0.09 -1.49 0.31 0.00 1.18 0.00 0.00 52.55 52.46 2wx6 s ASP 48 Cb 0.05 0.52 1.46 0.00 -0.34 0.00 0.00 42.92 44.62 2wx6 s ASP 48 CO 0.91 -1.05 1.87 0.50 0.68 0.00 0.00 175.17 178.08 2wx6 h LYS 49 N 2.31 0.04 0.06 2.11 3.64 -1.79 -1.43 116.57 121.50 2wx6 h LYS 49 Ca -0.29 -0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.82 2wx6 h LYS 49 Cb 1.24 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2wx6 h LYS 49 CO 0.42 0.02 -1.10 0.00 -2.27 0.00 0.00 179.45 176.53 2wx6 h ALA 50 N 1.53 0.16 -0.56 5.00 0.00 -1.95 -0.30 119.26 123.14 2wx6 h ALA 50 Ca 0.46 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2wx6 h ALA 50 Cb 1.79 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.60 2wx6 h ALA 50 CO -0.03 0.77 0.16 -0.44 0.00 0.00 0.00 179.25 179.72 2wx6 h ASP 51 N 0.26 0.79 -0.36 0.00 5.19 -1.74 -1.69 116.42 118.87 2wx6 h ASP 51 Ca -0.13 -0.13 -0.09 0.00 -0.62 0.00 0.00 57.03 56.05 2wx6 h ASP 51 Cb 1.76 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 2wx6 h ASP 51 CO 0.20 0.76 -0.14 0.25 -3.12 0.00 0.00 179.24 177.19 2wx6 h LEU 52 N 0.83 0.74 -0.62 1.55 5.85 -0.99 -1.28 115.31 121.38 2wx6 h LEU 52 Ca 0.19 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2wx6 h LEU 52 Cb 0.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2wx6 h LEU 52 CO -0.01 0.96 0.39 -0.08 -0.34 0.00 0.00 178.44 179.36 2wx6 h GLU 53 N 0.51 0.84 -0.81 1.25 4.81 -1.00 0.21 114.58 120.40 2wx6 h GLU 53 Ca 0.08 -0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2wx6 h GLU 53 Cb 0.67 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2wx6 h GLU 53 CO 0.05 0.59 0.45 -0.09 -0.73 0.00 0.00 179.01 179.28 2wx6 h ARG 54 N 0.85 0.73 0.27 1.92 2.43 -1.06 -1.38 114.38 118.13 2wx6 h ARG 54 Ca 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2wx6 h ARG 54 Cb -0.04 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 2wx6 h ARG 54 CO -0.04 0.48 -0.13 1.25 -1.51 0.00 0.00 179.97 180.02 2wx6 h LEU 55 N 0.75 -0.30 -1.34 3.80 5.85 -0.39 -1.94 115.31 121.73 2wx6 h LEU 55 Ca 0.40 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2wx6 h LEU 55 Cb 0.39 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2wx6 h LEU 55 CO -0.26 -0.06 0.50 -0.26 -0.34 0.00 0.00 178.44 178.03 2wx6 h PHE 56 N -0.55 0.80 -0.42 1.25 -1.00 -0.83 -0.87 116.94 115.33 2wx6 h PHE 56 Ca -0.04 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.61 2wx6 h PHE 56 Cb 0.40 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2wx6 h PHE 56 CO -0.01 0.41 -0.33 0.00 -1.61 0.00 0.00 178.31 176.78 2wx6 h ARG 57 N 0.78 0.96 -0.06 1.51 3.08 -1.23 -2.80 114.38 116.61 2wx6 h ARG 57 Ca 0.34 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2wx6 h ARG 57 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 2wx6 h ARG 57 CO -0.12 1.14 -0.04 1.25 -1.07 0.00 0.00 179.97 181.13 2wx6 h LEU 58 N 0.79 0.14 -0.79 3.04 5.85 -0.62 -2.60 115.31 121.14 2wx6 h LEU 58 Ca 0.08 -0.45 0.10 0.00 0.84 0.00 0.00 57.88 58.45 2wx6 h LEU 58 Cb 0.92 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 2wx6 h LEU 58 CO 0.09 0.56 0.43 -0.07 -0.34 0.00 0.00 178.44 179.11 2wx6 h LEU 59 N -0.27 0.60 -0.42 2.25 3.38 -1.29 -1.57 115.31 117.98 2wx6 h LEU 59 Ca 0.01 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.12 2wx6 h LEU 59 Cb 0.51 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2wx6 h LEU 59 CO 0.01 0.34 -0.23 0.74 0.09 0.00 0.00 178.44 179.39 2wx6 h THR 60 N 0.72 0.36 -0.47 0.22 2.02 -1.38 -0.31 112.91 114.06 2wx6 h THR 60 Ca 0.38 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.55 2wx6 h THR 60 Cb 0.38 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2wx6 h THR 60 CO -0.26 0.00 0.23 1.56 0.37 0.00 0.00 175.52 177.43 2wx6 h GLN 61 N -0.15 0.68 -0.33 6.66 4.20 -1.01 -0.75 115.11 124.41 2wx6 h GLN 61 Ca 0.20 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 2wx6 h GLN 61 Cb 0.47 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2wx6 h GLN 61 CO -0.51 0.56 0.03 0.00 -0.67 0.00 0.00 178.83 178.24 2wx6 h ARG 62 N 0.62 0.56 -0.39 1.46 2.47 -1.08 -1.89 114.38 116.14 2wx6 h ARG 62 Ca 0.16 -0.17 -0.09 0.00 -1.26 0.00 0.00 59.98 58.62 2wx6 h ARG 62 Cb 0.11 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2wx6 h ARG 62 CO -0.02 0.67 -0.12 0.74 0.56 0.00 0.00 179.97 181.81 2wx6 h PHE 63 N 0.38 0.87 -0.96 3.04 -1.00 -1.01 0.26 116.94 118.52 2wx6 h PHE 63 Ca 0.10 -0.19 0.04 0.00 2.81 0.00 0.00 57.97 60.72 2wx6 h PHE 63 Cb 0.40 -0.21 -0.06 0.00 3.61 0.00 0.00 35.95 39.69 2wx6 h PHE 63 CO 0.03 0.92 0.62 0.00 -1.61 0.00 0.00 178.31 178.27 2wx6 h ALA 64 N 0.83 1.28 -0.05 2.45 0.00 -1.11 -1.91 119.26 120.75 2wx6 h ALA 64 Ca 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2wx6 h ALA 64 Cb 0.64 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2wx6 h ALA 64 CO 0.04 0.49 -0.08 0.35 0.00 0.00 0.00 179.25 180.06 2wx6 h PHE 65 N 1.20 0.17 -0.52 0.00 3.57 -1.03 -3.22 116.94 117.11 2wx6 h PHE 65 Ca 0.39 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.73 2wx6 h PHE 65 Cb 0.02 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2wx6 h PHE 65 CO -0.01 0.65 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.59 2wx6 h LEU 66 N -0.35 0.91 -0.63 0.59 3.38 -0.85 -1.67 115.31 116.69 2wx6 h LEU 66 Ca 0.00 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2wx6 h LEU 66 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wx6 h LEU 66 CO 0.02 1.00 -0.67 0.71 0.09 0.00 0.00 178.44 179.59 2wx6 h THR 67 N 0.84 1.45 0.00 0.22 1.35 -1.49 -3.08 112.91 112.20 2wx6 h THR 67 Ca 0.14 -2.32 -0.03 0.00 -0.55 0.00 0.00 66.41 63.65 2wx6 h THR 67 Cb 0.58 2.26 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 2wx6 h THR 67 CO 0.04 0.66 -1.05 1.56 -0.25 0.00 0.00 175.52 176.47 2wx6 h GLN 68 N 0.00 0.00 0.00 4.72 1.08 -1.56 -3.41 115.11 115.94 2wx6 h GLN 68 Ca -0.01 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2wx6 h GLN 68 Cb 1.21 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2wx6 h GLN 68 CO 0.09 0.06 -0.04 0.41 -0.95 0.00 0.00 178.83 178.40 2wx6 n GLY 69 N 1.22 -2.22 0.00 3.46 0.00 -0.63 -4.48 105.19 102.53 2wx6 n GLY 69 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2wx6 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 70 N -1.17 2.64 3.55 -0.02 0.00 -0.24 -4.90 105.19 105.06 2wx6 n GLY 70 Ca 0.00 -1.54 -0.48 0.00 0.00 0.00 0.00 46.02 44.00 2wx6 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx6 n ALA 71 N -1.62 -1.03 -1.81 4.61 0.00 -1.26 -0.56 120.51 118.84 2wx6 n ALA 71 Ca 0.00 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 2wx6 n ALA 71 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.47 2wx6 n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wx6 s ALA 72 N -0.53 3.55 0.42 0.00 0.00 0.16 -4.71 121.76 120.64 2wx6 s ALA 72 Ca 0.69 1.32 -0.26 0.00 0.00 0.00 0.00 51.96 53.71 2wx6 s ALA 72 Cb -0.84 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 18.66 2wx6 s ALA 72 CO 0.55 -0.73 1.35 -2.30 0.00 0.00 0.00 175.76 174.63 2wx6 n PRO 73 N 1.27 2.12 -3.55 0.00 -0.02 -1.26 -4.96 135.00 128.60 2wx6 n PRO 73 Ca 0.02 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.94 2wx6 n PRO 73 Cb 0.41 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 2wx6 n PRO 73 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wx6 s GLU 74 N -2.26 3.70 -0.79 -0.52 2.56 -1.26 -4.25 118.70 115.88 2wx6 s GLU 74 Ca 0.60 0.08 0.01 0.00 0.00 0.00 0.00 54.97 55.66 2wx6 s GLU 74 Cb -0.49 -2.76 0.19 0.00 2.00 0.00 0.00 34.13 33.08 2wx6 s GLU 74 CO 0.59 0.40 0.63 0.99 -0.56 0.00 0.00 175.26 177.31 2wx6 s THR 75 N -1.73 3.68 0.22 -1.70 2.01 -1.26 -4.67 115.64 112.20 2wx6 s THR 75 Ca 0.44 -3.97 0.02 0.00 0.31 0.00 0.00 61.69 58.48 2wx6 s THR 75 Cb -0.12 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 2wx6 s THR 75 CO 0.23 -1.03 1.54 -0.65 -0.69 0.00 0.00 174.62 174.02 2wx6 h PRO 76 N 5.83 0.34 -4.72 4.92 0.11 -1.99 -3.37 132.00 133.11 2wx6 h PRO 76 Ca 0.14 -0.23 -0.70 0.00 0.11 0.00 0.00 66.00 65.32 2wx6 h PRO 76 Cb 0.80 0.03 -0.20 0.00 0.11 0.00 0.00 31.00 31.74 2wx6 h PRO 76 CO 0.79 0.83 0.17 1.21 -0.21 0.00 0.00 178.00 180.78 2wx6 s ASN 77 N -6.91 6.21 0.00 -2.05 2.47 -1.26 -4.95 114.94 108.45 2wx6 s ASN 77 Ca -0.05 -1.46 0.20 0.00 0.42 0.00 0.00 52.86 51.97 2wx6 s ASN 77 Cb 0.12 -2.31 1.20 0.00 -1.45 0.00 0.00 41.25 38.80 2wx6 s ASN 77 CO 0.81 -1.12 1.66 -0.81 -3.72 0.00 0.00 177.10 173.92 2wx6 n PRO 78 N 6.37 0.82 0.00 0.43 -0.04 -1.26 -2.41 135.00 138.91 2wx6 n PRO 78 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2wx6 n PRO 78 Cb 0.43 -1.38 0.48 0.00 -0.04 0.00 0.00 33.50 32.98 2wx6 n PRO 78 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wx6 n ARG 79 N -0.88 0.36 -3.83 0.54 1.74 -1.26 -4.83 116.66 108.49 2wx6 n ARG 79 Ca 0.15 -0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 2wx6 n ARG 79 Cb 0.07 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 2wx6 n ARG 79 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2wx6 s LEU 80 N -2.75 4.29 0.39 0.55 1.43 -1.01 -5.09 118.68 116.49 2wx6 s LEU 80 Ca 0.20 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 2wx6 s LEU 80 Cb 0.19 -3.04 -0.11 0.00 0.03 0.00 0.00 46.19 43.26 2wx6 s LEU 80 CO 0.56 0.03 1.19 -2.65 0.23 0.00 0.00 176.35 175.71 2wx6 n PRO 81 N -0.48 1.79 -1.71 1.29 -0.02 -1.26 -4.90 135.00 129.71 2wx6 n PRO 81 Ca -0.06 0.64 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 2wx6 n PRO 81 Cb 0.53 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2wx6 n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wx6 n PRO 82 N 0.26 2.35 0.18 0.52 -0.04 -1.26 -4.85 135.00 132.17 2wx6 n PRO 82 Ca 0.07 0.83 0.14 0.00 -0.04 0.00 0.00 63.50 64.50 2wx6 n PRO 82 Cb 0.38 -2.52 0.61 0.00 -0.04 0.00 0.00 33.50 31.93 2wx6 n PRO 82 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wx6 h LEU 83 N 3.86 0.00 -8.18 1.53 3.38 -1.83 -3.42 115.31 110.65 2wx6 h LEU 83 Ca -0.47 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.09 2wx6 h LEU 83 Cb 1.26 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.74 2wx6 h LEU 83 CO 0.72 0.00 -0.78 -0.62 0.09 0.00 0.00 178.44 177.85 2wx6 s ASP 84 N -4.56 1.35 0.58 -0.43 2.15 -1.26 -4.85 116.67 109.64 2wx6 s ASP 84 Ca 0.01 -0.33 0.28 0.00 0.43 0.00 0.00 52.55 52.95 2wx6 s ASP 84 Cb 0.09 -0.10 1.70 0.00 -0.30 0.00 0.00 42.92 44.30 2wx6 s ASP 84 CO 0.38 0.05 2.17 0.77 -0.17 0.00 0.00 175.17 178.37 2wx6 h SER 85 N 5.36 0.00 0.00 -0.34 4.64 -1.95 -3.46 113.55 117.80 2wx6 h SER 85 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2wx6 h SER 85 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2wx6 h SER 85 CO 0.46 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 2wx6 n GLY 86 N -1.38 0.75 0.29 -0.77 0.00 -1.26 -4.90 105.19 97.91 2wx6 n GLY 86 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2wx6 n GLY 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2wx6 h ILE 87 N 0.00 0.00 -0.01 -0.61 3.07 -1.99 -0.83 117.51 117.14 2wx6 h ILE 87 Ca 0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 2wx6 h ILE 87 Cb 0.03 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 2wx6 h ILE 87 CO 0.00 0.00 -0.36 0.18 -1.05 0.00 0.00 178.15 176.92 2wx6 n LEU 88 N -3.04 1.70 0.00 0.16 4.77 -1.26 -5.09 117.00 114.23 2wx6 n LEU 88 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2wx6 n LEU 88 Cb 0.21 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2wx6 n LEU 88 CO 0.24 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2wx6 n GLY 89 N 1.38 -1.31 0.09 -0.72 0.00 -0.32 -4.47 105.19 99.85 2wx6 n GLY 89 Ca 0.11 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.63 2wx6 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 90 N 0.00 -1.62 3.27 -0.02 0.00 -1.26 -4.74 105.19 100.82 2wx6 n GLY 90 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2wx6 n GLY 90 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wx6 s TYR 91 N -3.11 2.58 -0.87 1.61 5.04 -1.26 -0.67 117.35 120.67 2wx6 s TYR 91 Ca 0.10 -0.85 -0.16 0.00 -2.44 0.00 0.00 57.07 53.72 2wx6 s TYR 91 Cb 0.13 -1.70 0.18 0.00 0.35 0.00 0.00 41.96 40.91 2wx6 s TYR 91 CO 0.56 -0.30 0.93 0.42 -1.34 0.00 0.00 175.55 175.82 2wx6 s ILE 92 N 0.16 5.19 0.39 3.14 -1.09 0.28 -4.84 121.20 124.42 2wx6 s ILE 92 Ca -0.12 -2.03 -0.26 0.00 -2.23 0.00 0.00 60.65 56.01 2wx6 s ILE 92 Cb -0.16 -4.61 -0.09 0.00 -1.58 0.00 0.00 42.46 36.02 2wx6 s ILE 92 CO 0.07 -1.25 1.18 0.00 -1.23 0.00 0.00 174.94 173.70 2wx6 s ALA 93 N 1.38 3.20 0.20 9.38 0.00 -1.26 -1.08 121.76 133.57 2wx6 s ALA 93 Ca 0.25 0.99 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 2wx6 s ALA 93 Cb -0.08 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.78 2wx6 s ALA 93 CO -0.09 -0.52 1.86 -1.00 0.00 0.00 0.00 175.76 176.01 2wx6 h PRO 94 N 2.76 0.92 -6.02 0.00 0.13 -1.77 -3.45 132.00 124.58 2wx6 h PRO 94 Ca -0.49 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.12 2wx6 h PRO 94 Cb 1.23 -0.20 -0.09 0.00 0.13 0.00 0.00 31.00 32.07 2wx6 h PRO 94 CO 0.63 0.62 -0.70 -3.47 -0.23 0.00 0.00 178.00 174.85 2wx6 n ASP 95 N -4.59 -4.18 -2.16 1.44 2.03 0.84 -1.42 116.55 108.51 2wx6 n ASP 95 Ca 0.06 -0.67 -0.21 0.00 0.52 0.00 0.00 54.79 54.49 2wx6 n ASP 95 Cb 0.03 -3.40 -0.03 0.00 -0.72 0.00 0.00 41.12 37.00 2wx6 n ASP 95 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2wx6 n ASN 96 N -2.59 -5.74 -4.73 1.67 3.02 0.42 -1.44 115.26 105.88 2wx6 n ASN 96 Ca 0.03 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 2wx6 n ASN 96 Cb 0.53 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.80 2wx6 n ASN 96 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wx6 s LEU 97 N -5.64 4.40 0.01 3.41 2.96 -0.51 -4.37 118.68 118.95 2wx6 s LEU 97 Ca 0.00 2.32 0.05 0.00 -0.22 0.00 0.00 54.13 56.27 2wx6 s LEU 97 Cb 0.00 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2wx6 s LEU 97 CO 0.00 -0.55 -0.15 0.42 -1.32 0.00 0.00 176.35 174.75 2wx6 s THR 98 N 0.57 1.19 -0.17 3.68 -4.23 -0.26 -4.47 115.64 111.95 2wx6 s THR 98 Ca 0.59 -0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 2wx6 s THR 98 Cb -0.35 -1.02 0.05 0.00 1.34 0.00 0.00 72.50 72.51 2wx6 s THR 98 CO 0.34 0.20 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.97 2wx6 s ILE 99 N -0.57 0.90 -0.21 2.99 1.01 -1.26 -1.21 121.20 122.85 2wx6 s ILE 99 Ca 0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 2wx6 s ILE 99 Cb -0.07 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2wx6 s ILE 99 CO 0.00 0.02 0.04 -0.89 0.00 0.00 0.00 174.94 174.11 2wx6 s THR 100 N 1.71 4.29 -0.19 2.92 2.01 -0.06 -4.85 115.64 121.47 2wx6 s THR 100 Ca 0.00 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2wx6 s THR 100 Cb -0.16 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2wx6 s THR 100 CO -0.07 0.41 0.08 -0.22 -0.69 0.00 0.00 174.62 174.13 2wx6 s LEU 101 N 0.99 3.94 0.15 4.42 0.20 -1.26 -1.06 118.68 126.07 2wx6 s LEU 101 Ca 0.03 0.13 0.04 0.00 0.69 0.00 0.00 54.13 55.03 2wx6 s LEU 101 Cb -0.14 -2.00 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 2wx6 s LEU 101 CO 0.02 0.18 -0.09 -0.94 -0.29 0.00 0.00 176.35 175.23 2wx6 s SER 102 N 0.33 1.78 0.01 3.68 1.04 -0.19 -2.75 113.70 117.60 2wx6 s SER 102 Ca 0.05 -1.03 0.07 0.00 0.48 0.00 0.00 55.95 55.52 2wx6 s SER 102 Cb -0.12 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 2wx6 s SER 102 CO -0.01 -0.35 -0.20 0.68 0.98 0.00 0.00 173.24 174.34 2wx6 s VAL 103 N -3.34 1.62 0.56 5.02 -7.23 -0.48 -1.48 120.40 115.08 2wx6 s VAL 103 Ca 0.18 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2wx6 s VAL 103 Cb 0.03 -1.37 -0.00 0.00 0.56 0.00 0.00 36.38 35.60 2wx6 s VAL 103 CO 0.01 0.36 0.87 -0.83 -0.31 0.00 0.00 175.10 175.20 2wx6 s GLY 104 N -0.73 1.59 0.33 2.32 0.00 0.33 -0.14 107.32 111.01 2wx6 s GLY 104 Ca 0.08 -0.67 0.11 0.00 0.00 0.00 0.00 44.72 44.24 2wx6 s GLY 104 CO 0.00 -0.42 1.70 0.84 0.00 0.00 0.00 173.10 175.22 2wx6 h HIS 105 N -0.08 0.98 0.00 1.90 2.76 -1.83 -2.09 115.15 116.79 2wx6 h HIS 105 Ca -0.46 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 2wx6 h HIS 105 Cb 1.25 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 29.93 2wx6 h HIS 105 CO 0.49 -0.03 -0.05 0.66 -1.30 0.00 0.00 177.93 177.70 2wx6 h SER 106 N 0.48 0.00 0.83 3.26 4.64 -1.90 -2.32 113.55 118.54 2wx6 h SER 106 Ca 0.68 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 62.00 2wx6 h SER 106 Cb 1.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2wx6 h SER 106 CO -0.53 0.05 -0.03 0.25 -0.87 0.00 0.00 176.83 175.71 2wx6 h LEU 107 N 0.00 0.00 -3.36 5.97 5.85 -1.62 -2.79 115.31 119.36 2wx6 h LEU 107 Ca -0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 2wx6 h LEU 107 Cb 0.17 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.05 2wx6 h LEU 107 CO 0.01 0.03 0.32 0.49 -0.34 0.00 0.00 178.44 178.94 2wx6 n PHE 108 N -3.15 2.12 -0.90 1.25 3.72 -0.87 -4.69 117.46 114.95 2wx6 n PHE 108 Ca -0.00 -1.18 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 2wx6 n PHE 108 Cb 0.28 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.16 2wx6 n PHE 108 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wx6 n ASP 109 N -0.30 0.00 0.25 4.37 5.75 -1.05 -3.55 116.55 122.01 2wx6 n ASP 109 Ca 0.37 -0.43 0.17 0.00 -0.01 0.00 0.00 54.79 54.89 2wx6 n ASP 109 Cb 1.26 0.00 0.69 0.00 -1.03 0.00 0.00 41.12 42.05 2wx6 n ASP 109 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2wx6 h GLU 110 N 0.00 0.00 -0.75 0.11 9.09 -1.90 -3.35 114.58 117.78 2wx6 h GLU 110 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2wx6 h GLU 110 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 2wx6 h GLU 110 CO 0.00 0.00 0.43 0.00 0.05 0.00 0.00 179.01 179.49 2wx6 h ARG 111 N 0.00 1.03 0.00 1.06 3.08 -1.93 -3.36 114.38 114.26 2wx6 h ARG 111 Ca 0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2wx6 h ARG 111 Cb 0.42 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2wx6 h ARG 111 CO 0.00 0.75 0.00 1.19 -1.07 0.00 0.00 179.97 180.84 2wx6 n PHE 112 N -4.48 0.00 -0.96 3.04 3.01 -1.25 -4.35 117.46 112.47 2wx6 n PHE 112 Ca 0.07 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.40 2wx6 n PHE 112 Cb 0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2wx6 n PHE 112 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wx6 n GLY 113 N -0.13 0.52 0.10 1.37 0.00 -1.26 -4.50 105.19 101.29 2wx6 n GLY 113 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2wx6 n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wx6 n LEU 114 N 0.00 0.50 -0.30 0.99 4.77 -1.26 -4.41 117.00 117.29 2wx6 n LEU 114 Ca 0.00 0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 2wx6 n LEU 114 Cb 0.00 -0.23 0.26 0.00 -2.33 0.00 0.00 43.42 41.12 2wx6 n LEU 114 CO 0.00 0.10 0.87 0.00 -1.33 0.00 0.00 177.39 177.03 2wx6 h ALA 115 N 3.42 1.13 0.00 -1.18 0.00 -1.74 0.63 119.26 121.51 2wx6 h ALA 115 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2wx6 h ALA 115 Cb 0.43 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wx6 h ALA 115 CO 0.00 -0.50 0.00 -1.35 0.00 0.00 0.00 179.25 177.40 2wx6 h PRO 116 N 0.12 0.00 -0.36 0.00 0.11 -1.89 -3.06 132.00 126.91 2wx6 h PRO 116 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2wx6 h PRO 116 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wx6 h PRO 116 CO -0.74 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.09 2wx6 n GLN 117 N -2.96 2.50 -1.71 1.05 1.13 0.20 -4.98 117.38 112.60 2wx6 n GLN 117 Ca 0.00 -2.26 -0.43 0.00 -1.94 0.00 0.00 57.00 52.38 2wx6 n GLN 117 Cb 0.25 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 29.06 2wx6 n GLN 117 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2wx6 n MET 118 N 1.48 2.58 -1.57 -1.09 1.56 -1.16 -4.81 117.12 114.11 2wx6 n MET 118 Ca 0.19 0.92 -0.42 0.00 -0.27 0.00 0.00 57.70 58.12 2wx6 n MET 118 Cb 0.61 -2.72 0.00 0.00 2.15 0.00 0.00 33.22 33.26 2wx6 n MET 118 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2wx6 n PRO 119 N 3.07 1.18 0.14 2.12 -0.02 -1.26 -4.83 135.00 135.41 2wx6 n PRO 119 Ca 0.13 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 2wx6 n PRO 119 Cb 0.34 -1.87 0.60 0.00 -0.02 0.00 0.00 33.50 32.55 2wx6 n PRO 119 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2wx6 h LYS 120 N 1.52 0.13 -0.06 -0.52 1.79 -1.93 -2.91 116.57 114.59 2wx6 h LYS 120 Ca -0.42 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 2wx6 h LYS 120 Cb 1.35 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2wx6 h LYS 120 CO 0.57 0.09 0.00 1.63 -1.08 0.00 0.00 179.45 180.66 2wx6 n LYS 121 N -4.50 0.92 -2.26 3.15 4.76 -1.26 -4.99 118.16 113.98 2wx6 n LYS 121 Ca 0.01 -1.31 -0.42 0.00 -2.87 0.00 0.00 58.31 53.72 2wx6 n LYS 121 Cb 0.19 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 2wx6 n LYS 121 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2wx6 s LEU 122 N -0.97 4.32 0.13 -0.35 2.96 -1.10 -4.69 118.68 118.99 2wx6 s LEU 122 Ca 0.15 2.09 -0.07 0.00 -0.22 0.00 0.00 54.13 56.08 2wx6 s LEU 122 Cb 0.10 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 2wx6 s LEU 122 CO 0.15 -0.67 0.21 0.00 -1.32 0.00 0.00 176.35 174.71 2wx6 s GLN 123 N 2.12 1.01 0.29 1.98 -2.07 -1.26 -4.95 119.66 116.79 2wx6 s GLN 123 Ca 0.62 -1.16 -0.29 0.00 -1.82 0.00 0.00 55.36 52.71 2wx6 s GLN 123 Cb -0.31 0.34 -0.10 0.00 -1.09 0.00 0.00 33.01 31.85 2wx6 s GLN 123 CO 0.27 -0.34 1.21 0.21 -1.32 0.00 0.00 175.29 175.32 2wx6 s LYS 124 N -3.95 4.48 0.28 9.60 2.20 -1.26 -4.56 119.74 126.53 2wx6 s LYS 124 Ca 0.14 2.01 -0.29 0.00 -0.36 0.00 0.00 55.97 57.48 2wx6 s LYS 124 Cb 0.05 -3.14 -0.10 0.00 -1.51 0.00 0.00 37.83 33.13 2wx6 s LYS 124 CO -0.03 -0.02 1.23 1.41 -0.36 0.00 0.00 175.35 177.58 2wx6 s MET 125 N -1.43 4.47 0.20 4.03 -2.45 -1.26 -4.99 119.30 117.86 2wx6 s MET 125 Ca 0.48 2.02 0.07 0.00 -1.25 0.00 0.00 55.69 57.01 2wx6 s MET 125 Cb -0.36 -3.15 -0.05 0.00 1.25 0.00 0.00 34.83 32.53 2wx6 s MET 125 CO 0.46 -0.06 -0.13 -0.08 1.05 0.00 0.00 175.02 176.26 2wx6 s THR 126 N -0.84 1.64 0.46 10.11 -1.32 -1.26 -5.05 115.64 119.38 2wx6 s THR 126 Ca 0.49 -2.19 -0.23 0.00 -1.21 0.00 0.00 61.69 58.56 2wx6 s THR 126 Cb -0.36 -2.03 -0.07 0.00 -1.51 0.00 0.00 72.50 68.52 2wx6 s THR 126 CO 0.45 -0.61 1.15 0.00 -2.21 0.00 0.00 174.62 173.41 2wx6 s ARG 127 N -3.67 3.77 0.47 7.08 1.70 -1.26 -5.05 118.95 121.99 2wx6 s ARG 127 Ca 0.22 1.73 0.05 0.00 -0.47 0.00 0.00 55.73 57.26 2wx6 s ARG 127 Cb -0.00 -2.39 0.02 0.00 -0.57 0.00 0.00 34.95 32.01 2wx6 s ARG 127 CO 0.06 -0.53 0.65 -0.06 -1.08 0.00 0.00 175.30 174.34 2wx6 s PHE 128 N -1.58 2.86 0.36 5.89 0.40 -1.26 -5.04 117.98 119.62 2wx6 s PHE 128 Ca 0.64 -0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.81 2wx6 s PHE 128 Cb -0.27 -2.50 0.74 0.00 0.51 0.00 0.00 43.02 41.50 2wx6 s PHE 128 CO 0.33 -0.57 1.95 -1.35 0.70 0.00 0.00 175.22 176.29 2wx6 h PRO 129 N 0.43 0.74 -0.46 0.24 0.11 -1.98 -2.63 132.00 128.45 2wx6 h PRO 129 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wx6 h PRO 129 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wx6 h PRO 129 CO 0.49 0.49 0.00 -1.71 -0.21 0.00 0.00 178.00 177.06 2wx6 n ASN 130 N -4.48 2.58 -4.81 -2.05 5.15 -1.26 -4.98 115.26 105.41 2wx6 n ASN 130 Ca 0.11 -1.98 -0.34 0.00 -0.60 0.00 0.00 54.58 51.77 2wx6 n ASN 130 Cb 0.24 -0.31 -0.07 0.00 -0.53 0.00 0.00 39.78 39.12 2wx6 n ASN 130 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2wx6 s ASP 131 N -1.06 7.04 -0.52 1.20 1.11 -0.99 -4.34 116.67 119.11 2wx6 s ASP 131 Ca 0.33 1.66 0.07 0.00 0.18 0.00 0.00 52.55 54.79 2wx6 s ASP 131 Cb 0.17 -2.52 0.34 0.00 1.07 0.00 0.00 42.92 41.98 2wx6 s ASP 131 CO 0.23 -0.23 0.89 -1.20 1.18 0.00 0.00 175.17 176.04 2wx6 n SER 132 N -0.16 3.48 -4.70 0.27 7.64 0.97 -4.97 113.62 116.15 2wx6 n SER 132 Ca 0.04 -3.50 -0.43 0.00 1.01 0.00 0.00 58.87 55.99 2wx6 n SER 132 Cb 0.53 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2wx6 n SER 132 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wx6 n LEU 133 N -0.09 3.71 -4.51 -3.43 4.77 -1.23 -4.36 117.00 111.87 2wx6 n LEU 133 Ca 0.29 1.09 -0.38 0.00 -0.03 0.00 0.00 56.01 56.98 2wx6 n LEU 133 Cb 0.46 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 2wx6 n LEU 133 CO 0.30 -0.02 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.51 2wx6 s ASP 134 N 0.91 5.60 0.39 -1.43 -1.08 0.25 -4.98 116.67 116.33 2wx6 s ASP 134 Ca 0.74 -0.19 0.18 0.00 -0.52 0.00 0.00 52.55 52.76 2wx6 s ASP 134 Cb -0.57 -2.02 1.10 0.00 -1.46 0.00 0.00 42.92 39.97 2wx6 s ASP 134 CO 0.38 -0.08 1.75 0.00 0.52 0.00 0.00 175.17 177.75 2wx6 h ALA 135 N 8.32 2.21 0.00 3.66 0.00 -1.94 -0.91 119.26 130.61 2wx6 h ALA 135 Ca -0.36 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wx6 h ALA 135 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wx6 h ALA 135 CO 0.58 -0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2wx6 h ALA 136 N 1.64 1.00 -0.04 0.00 0.00 -1.94 -3.17 119.26 116.76 2wx6 h ALA 136 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2wx6 h ALA 136 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wx6 h ALA 136 CO -0.33 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.20 2wx6 n LEU 137 N -2.59 2.55 -4.25 0.00 4.77 -0.35 -4.55 117.00 112.59 2wx6 n LEU 137 Ca 0.00 -3.07 -0.25 0.00 -0.03 0.00 0.00 56.01 52.66 2wx6 n LEU 137 Cb 0.19 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 40.70 2wx6 n LEU 137 CO 0.20 0.70 -0.52 0.00 -1.33 0.00 0.00 177.39 176.44 2wx6 n HIS 139 N 1.76 -0.31 0.00 0.00 8.25 0.07 -4.95 115.22 120.04 2wx6 n HIS 139 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2wx6 n HIS 139 Cb 0.53 0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.76 2wx6 n HIS 139 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wx6 n GLY 140 N 0.00 4.18 0.19 -1.41 0.00 -1.26 -4.85 105.19 102.04 2wx6 n GLY 140 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 46.02 44.42 2wx6 n GLY 140 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wx6 h ASP 141 N 0.00 0.76 -4.52 1.61 3.32 -1.72 -3.31 116.42 112.56 2wx6 h ASP 141 Ca 0.00 -0.65 -0.37 0.00 0.02 0.00 0.00 57.03 56.03 2wx6 h ASP 141 Cb 0.00 -0.23 -0.21 0.00 0.22 0.00 0.00 39.33 39.12 2wx6 h ASP 141 CO 0.00 1.29 -0.76 0.68 -1.72 0.00 0.00 179.24 178.73 2wx6 s VAL 142 N -3.65 0.98 -0.03 -1.35 -7.23 -1.10 -0.51 120.40 107.50 2wx6 s VAL 142 Ca -0.12 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.81 2wx6 s VAL 142 Cb 0.07 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 2wx6 s VAL 142 CO 0.86 -0.30 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.93 2wx6 s LEU 143 N -1.80 2.01 -0.17 1.32 2.96 -0.55 -1.26 118.68 121.18 2wx6 s LEU 143 Ca -0.03 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 2wx6 s LEU 143 Cb -0.09 -1.11 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 2wx6 s LEU 143 CO 0.02 0.23 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.47 2wx6 s LEU 144 N -0.28 3.08 -0.33 -0.68 1.43 -0.49 -1.02 118.68 120.39 2wx6 s LEU 144 Ca 0.03 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2wx6 s LEU 144 Cb -0.10 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2wx6 s LEU 144 CO 0.01 0.11 0.16 -1.58 0.23 0.00 0.00 176.35 175.27 2wx6 s GLN 145 N 0.73 3.16 -0.23 1.70 0.74 -0.22 -1.19 119.66 124.35 2wx6 s GLN 145 Ca -0.02 -0.84 -0.01 0.00 0.05 0.00 0.00 55.36 54.54 2wx6 s GLN 145 Cb -0.15 -3.58 0.02 0.00 1.10 0.00 0.00 33.01 30.41 2wx6 s GLN 145 CO 0.02 -0.50 -0.10 0.42 -0.55 0.00 0.00 175.29 174.58 2wx6 s ILE 146 N 1.58 2.65 0.04 -2.34 1.01 -0.08 -0.89 121.20 123.17 2wx6 s ILE 146 Ca 0.04 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 59.73 2wx6 s ILE 146 Cb -0.18 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2wx6 s ILE 146 CO 0.06 0.29 -0.17 0.00 0.00 0.00 0.00 174.94 175.11 2wx6 s ALA 148 N -0.78 -1.23 0.33 0.00 0.00 -0.54 -1.10 121.76 118.44 2wx6 s ALA 148 Ca 0.05 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.71 2wx6 s ALA 148 Cb -0.08 0.74 0.59 0.00 0.00 0.00 0.00 23.12 24.37 2wx6 s ALA 148 CO 0.01 -1.03 1.83 -0.91 0.00 0.00 0.00 175.76 175.66 2wx6 h ASN 149 N 2.00 0.39 -4.44 0.00 2.35 -1.49 -0.49 115.58 113.90 2wx6 h ASN 149 Ca -0.25 -0.10 -0.38 0.00 -0.55 0.00 0.00 56.30 55.02 2wx6 h ASN 149 Cb 1.24 -0.10 -0.20 0.00 0.05 0.00 0.00 38.32 39.30 2wx6 h ASN 149 CO 0.31 0.56 -0.76 0.42 -1.65 0.00 0.00 177.43 176.31 2wx6 s THR 150 N -4.71 1.03 0.38 2.81 -4.23 -1.26 -4.02 115.64 105.65 2wx6 s THR 150 Ca -0.07 -1.40 0.05 0.00 -1.18 0.00 0.00 61.69 59.10 2wx6 s THR 150 Cb 0.15 -1.13 0.24 0.00 1.34 0.00 0.00 72.50 73.09 2wx6 s THR 150 CO 0.76 -0.34 2.01 -0.61 -0.54 0.00 0.00 174.62 175.90 2wx6 h GLN 151 N 4.06 0.59 -0.67 3.99 4.15 -1.93 -2.66 115.11 122.65 2wx6 h GLN 151 Ca -0.39 -0.05 0.08 0.00 0.77 0.00 0.00 58.65 59.05 2wx6 h GLN 151 Cb 1.19 -0.12 -0.07 0.00 0.21 0.00 0.00 27.48 28.69 2wx6 h GLN 151 CO 0.44 0.44 0.33 -0.44 -1.93 0.00 0.00 178.83 177.67 2wx6 h ASP 152 N 0.60 0.43 -0.35 -0.69 5.19 -1.99 -0.39 116.42 119.22 2wx6 h ASP 152 Ca 0.16 0.05 -0.14 0.00 -0.62 0.00 0.00 57.03 56.48 2wx6 h ASP 152 Cb 0.02 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2wx6 h ASP 152 CO -0.03 0.26 -0.32 0.74 -3.12 0.00 0.00 179.24 176.77 2wx6 h THR 153 N 0.57 1.28 0.23 0.35 2.02 -1.89 0.17 112.91 115.65 2wx6 h THR 153 Ca 0.32 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 2wx6 h THR 153 Cb 0.31 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2wx6 h THR 153 CO -0.25 0.49 -0.15 0.58 0.37 0.00 0.00 175.52 176.56 2wx6 h VAL 154 N 0.63 0.68 -0.26 3.16 2.07 -1.40 -1.56 116.25 119.57 2wx6 h VAL 154 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 2wx6 h VAL 154 Cb 0.91 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2wx6 h VAL 154 CO 0.08 0.00 -0.13 0.40 0.02 0.00 0.00 177.57 177.94 2wx6 h ILE 155 N -0.37 1.22 -0.43 4.57 2.04 -0.98 -2.23 117.51 121.34 2wx6 h ILE 155 Ca -0.02 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 2wx6 h ILE 155 Cb 0.32 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 2wx6 h ILE 155 CO 0.01 0.32 0.13 -0.74 0.00 0.00 0.00 178.15 177.87 2wx6 h HIS 156 N 0.41 0.69 -0.11 1.37 2.76 -0.82 -2.48 115.15 116.97 2wx6 h HIS 156 Ca 0.08 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2wx6 h HIS 156 Cb 0.48 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 2wx6 h HIS 156 CO 0.01 0.63 0.07 0.00 -1.30 0.00 0.00 177.93 177.35 2wx6 h ALA 157 N 0.98 0.14 -0.25 5.26 0.00 -0.97 -1.73 119.26 122.69 2wx6 h ALA 157 Ca 0.14 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2wx6 h ALA 157 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2wx6 h ALA 157 CO -0.00 -0.37 -0.04 1.25 0.00 0.00 0.00 179.25 180.08 2wx6 h LEU 158 N 0.15 -0.19 -1.18 0.00 5.85 -1.36 -1.31 115.31 117.26 2wx6 h LEU 158 Ca 0.04 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2wx6 h LEU 158 Cb -0.01 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2wx6 h LEU 158 CO -0.01 -0.06 -0.28 0.03 -0.34 0.00 0.00 178.44 177.78 2wx6 h ARG 159 N 0.02 0.21 0.27 1.25 3.08 -1.31 0.15 114.38 118.06 2wx6 h ARG 159 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2wx6 h ARG 159 Cb 0.18 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wx6 h ARG 159 CO -0.24 0.48 -0.14 0.22 -1.07 0.00 0.00 179.97 179.21 2wx6 h ASP 160 N 0.19 -0.34 -0.08 7.04 3.58 -0.98 -2.06 116.42 123.77 2wx6 h ASP 160 Ca 0.03 0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.52 2wx6 h ASP 160 Cb 0.60 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 2wx6 h ASP 160 CO 0.04 -0.23 -0.11 0.40 -2.88 0.00 0.00 179.24 176.46 2wx6 h ILE 161 N -0.38 0.71 -0.57 2.25 2.04 -0.33 -2.33 117.51 118.90 2wx6 h ILE 161 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.89 2wx6 h ILE 161 Cb 0.30 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2wx6 h ILE 161 CO 0.05 0.00 0.27 0.40 0.00 0.00 0.00 178.15 178.87 2wx6 h ILE 162 N -0.15 0.89 -0.83 -0.67 2.04 -0.77 -2.66 117.51 115.36 2wx6 h ILE 162 Ca 0.07 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.79 2wx6 h ILE 162 Cb 0.24 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 2wx6 h ILE 162 CO -0.17 0.09 0.53 0.50 0.00 0.00 0.00 178.15 179.11 2wx6 h LYS 163 N 0.50 0.99 0.00 2.37 3.64 -1.05 -1.30 116.57 121.73 2wx6 h LYS 163 Ca 0.27 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2wx6 h LYS 163 Cb 0.23 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2wx6 h LYS 163 CO -0.22 0.65 0.00 0.72 -2.27 0.00 0.00 179.45 178.34 2wx6 n HIS 164 N -4.58 0.00 -1.91 1.91 8.25 -0.90 -4.24 115.22 113.74 2wx6 n HIS 164 Ca 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.62 2wx6 n HIS 164 Cb 0.11 -0.35 0.12 0.00 1.12 0.00 0.00 29.99 30.99 2wx6 n HIS 164 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wx6 n THR 165 N -1.35 1.27 0.28 1.59 -2.24 -0.49 -4.88 114.28 108.45 2wx6 n THR 165 Ca 0.11 -2.19 0.17 0.00 -2.27 0.00 0.00 64.05 59.86 2wx6 n THR 165 Cb 0.24 0.25 0.84 0.00 -2.10 0.00 0.00 70.33 69.56 2wx6 n THR 165 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wx6 h PRO 166 N 0.88 0.00 -0.18 -0.78 0.13 -1.73 -0.10 132.00 130.22 2wx6 h PRO 166 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2wx6 h PRO 166 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2wx6 h PRO 166 CO 0.04 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.41 2wx6 n ASP 167 N -2.69 2.52 0.00 1.44 5.75 -1.26 -4.69 116.55 117.61 2wx6 n ASP 167 Ca -0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2wx6 n ASP 167 Cb 0.11 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2wx6 n ASP 167 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2wx6 n LEU 168 N 0.73 0.00 -4.08 -2.12 4.77 -0.11 -4.39 117.00 111.79 2wx6 n LEU 168 Ca 0.10 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2wx6 n LEU 168 Cb 0.38 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.35 2wx6 n LEU 168 CO 0.09 0.00 -0.43 -0.76 -1.33 0.00 0.00 177.39 174.95 2wx6 s LEU 169 N -2.15 2.17 -0.07 2.23 1.43 -0.83 0.95 118.68 122.41 2wx6 s LEU 169 Ca 0.00 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 2wx6 s LEU 169 Cb 0.00 -0.40 0.02 0.00 0.03 0.00 0.00 46.19 45.84 2wx6 s LEU 169 CO 0.00 -0.04 -0.07 -0.55 0.23 0.00 0.00 176.35 175.92 2wx6 s SER 170 N -1.11 1.56 0.15 2.29 0.15 0.15 -4.68 113.70 112.20 2wx6 s SER 170 Ca -0.02 -0.22 -0.33 0.00 0.70 0.00 0.00 55.95 56.08 2wx6 s SER 170 Cb -0.07 -0.66 -0.12 0.00 -1.71 0.00 0.00 66.02 63.45 2wx6 s SER 170 CO 0.01 -0.05 1.70 0.52 1.20 0.00 0.00 173.24 176.62 2wx6 n VAL 171 N 4.25 0.11 -0.00 4.45 0.31 -1.26 0.05 118.33 126.23 2wx6 n VAL 171 Ca -0.20 -0.02 -0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2wx6 n VAL 171 Cb 0.51 -1.83 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 2wx6 n VAL 171 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wx6 n ARG 172 N 4.26 0.02 -4.17 5.55 0.63 0.17 -4.78 116.66 118.34 2wx6 n ARG 172 Ca 0.17 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 57.06 2wx6 n ARG 172 Cb 0.33 -0.59 -0.10 0.00 0.45 0.00 0.00 32.46 32.54 2wx6 n ARG 172 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 2wx6 s TRP 173 N -1.07 0.88 -0.19 -0.14 1.48 -1.11 -4.96 118.94 113.83 2wx6 s TRP 173 Ca -0.01 -0.92 -0.17 0.00 -1.06 0.00 0.00 56.10 53.94 2wx6 s TRP 173 Cb 0.00 -0.51 0.05 0.00 -1.16 0.00 0.00 33.47 31.85 2wx6 s TRP 173 CO 0.02 -0.15 0.51 0.21 -4.06 0.00 0.00 176.95 173.47 2wx6 s LYS 174 N -3.83 0.59 -0.12 3.25 2.20 -1.26 -0.21 119.74 120.35 2wx6 s LYS 174 Ca 0.12 0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 56.33 2wx6 s LYS 174 Cb 0.05 0.28 0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2wx6 s LYS 174 CO -0.05 -0.07 0.32 0.50 -0.36 0.00 0.00 175.35 175.69 2wx6 s ARG 175 N 0.33 0.37 -0.07 4.03 3.52 -0.05 -5.01 118.95 122.07 2wx6 s ARG 175 Ca -0.00 0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 2wx6 s ARG 175 Cb -0.04 0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 2wx6 s ARG 175 CO -0.00 -0.05 0.02 -1.21 -0.81 0.00 0.00 175.30 173.25 2wx6 s GLU 176 N 0.19 3.00 0.19 5.12 2.02 -1.26 -0.88 118.70 127.08 2wx6 s GLU 176 Ca -0.00 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 2wx6 s GLU 176 Cb -0.02 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 2wx6 s GLU 176 CO 0.00 0.69 0.13 0.20 0.02 0.00 0.00 175.26 176.30 2wx6 s GLY 177 N -1.07 1.32 0.09 -1.39 0.00 0.10 -4.55 107.32 101.82 2wx6 s GLY 177 Ca 0.15 -1.63 -0.11 0.00 0.00 0.00 0.00 44.72 43.13 2wx6 s GLY 177 CO 0.05 -1.37 0.26 -0.11 0.00 0.00 0.00 173.10 171.93 2wx6 s PHE 178 N -4.13 0.02 0.40 1.90 -0.12 0.26 -1.01 117.98 115.30 2wx6 s PHE 178 Ca 0.36 -0.38 0.07 0.00 -0.05 0.00 0.00 56.93 56.93 2wx6 s PHE 178 Cb 0.07 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.43 2wx6 s PHE 178 CO 0.10 -0.57 0.04 0.96 -0.05 0.00 0.00 175.22 175.70 2wx6 s ILE 179 N -3.62 2.10 0.59 -4.49 -4.36 -1.03 -0.28 121.20 110.11 2wx6 s ILE 179 Ca 0.03 -1.95 -0.20 0.00 -0.26 0.00 0.00 60.65 58.27 2wx6 s ILE 179 Cb 0.03 -2.97 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 2wx6 s ILE 179 CO -0.10 -0.02 1.31 -1.54 0.24 0.00 0.00 174.94 174.84 2wx6 n SER 180 N -1.02 2.36 0.08 4.36 3.41 -1.26 -4.78 113.62 116.76 2wx6 n SER 180 Ca -0.04 0.91 -0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2wx6 n SER 180 Cb 0.66 -1.56 0.30 0.00 -0.26 0.00 0.00 64.21 63.35 2wx6 n SER 180 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wx6 h ASP 181 N 1.03 0.31 0.13 4.04 3.32 -1.98 -0.63 116.42 122.64 2wx6 h ASP 181 Ca -0.51 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 2wx6 h ASP 181 Cb 1.32 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2wx6 h ASP 181 CO 0.55 0.53 -0.06 -0.74 -1.72 0.00 0.00 179.24 177.80 2wx6 h HIS 182 N 0.29 -0.16 -0.73 4.55 2.76 -1.99 0.25 115.15 120.11 2wx6 h HIS 182 Ca 0.05 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2wx6 h HIS 182 Cb 0.54 0.05 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 2wx6 h HIS 182 CO 0.01 -0.04 0.48 0.00 -1.30 0.00 0.00 177.93 177.08 2wx6 h ALA 183 N 0.62 1.51 -0.50 5.26 0.00 -1.83 -2.64 119.26 121.68 2wx6 h ALA 183 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 2wx6 h ALA 183 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2wx6 h ALA 183 CO 0.03 0.44 -0.15 0.00 0.00 0.00 0.00 179.25 179.57 2wx6 h ALA 184 N 1.56 0.78 0.00 0.00 0.00 -0.55 -3.12 119.26 117.91 2wx6 h ALA 184 Ca 0.28 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2wx6 h ALA 184 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2wx6 h ALA 184 CO -0.07 0.66 -0.35 0.00 0.00 0.00 0.00 179.25 179.50 2wx6 h ARG 185 N 0.86 0.00 0.00 0.00 3.08 -0.24 -3.04 114.38 115.04 2wx6 h ARG 185 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wx6 h ARG 185 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2wx6 h ARG 185 CO 0.05 0.35 0.00 -1.13 -1.07 0.00 0.00 179.97 178.18 2wx6 n SER 186 N -4.06 0.00 -4.22 7.04 3.41 -1.02 -4.89 113.62 109.88 2wx6 n SER 186 Ca -0.02 -0.40 -0.30 0.00 -0.26 0.00 0.00 58.87 57.89 2wx6 n SER 186 Cb 0.39 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2wx6 n SER 186 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wx6 n LYS 187 N -0.98 -0.90 -0.18 4.33 5.02 -1.15 -1.26 118.16 123.04 2wx6 n LYS 187 Ca 0.09 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2wx6 n LYS 187 Cb 0.04 -3.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.73 2wx6 n LYS 187 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wx6 n GLY 188 N -2.48 0.67 0.07 0.72 0.00 -1.26 -4.87 105.19 98.03 2wx6 n GLY 188 Ca -0.30 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.83 2wx6 n GLY 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wx6 n LYS 189 N -2.04 0.51 -4.50 1.61 5.02 -0.39 -4.85 118.16 113.52 2wx6 n LYS 189 Ca 0.00 0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 56.11 2wx6 n LYS 189 Cb 0.00 -1.70 -0.15 0.00 -0.02 0.00 0.00 35.03 33.16 2wx6 n LYS 189 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2wx6 s GLU 190 N -3.33 1.05 -0.01 1.97 2.12 -1.26 -5.10 118.70 114.13 2wx6 s GLU 190 Ca -0.00 -0.39 -0.28 0.00 0.36 0.00 0.00 54.97 54.66 2wx6 s GLU 190 Cb 0.12 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 33.49 2wx6 s GLU 190 CO 0.81 0.19 0.88 0.99 -0.54 0.00 0.00 175.26 177.59 2wx6 s THR 191 N -0.04 4.89 0.46 -1.70 2.01 -1.26 -4.75 115.64 115.25 2wx6 s THR 191 Ca 0.00 1.85 -0.25 0.00 0.31 0.00 0.00 61.69 63.60 2wx6 s THR 191 Cb -0.07 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 2wx6 s THR 191 CO 0.00 0.21 1.41 -2.84 -0.69 0.00 0.00 174.62 172.71 2wx6 s PRO 192 N 0.81 3.63 -0.22 4.92 0.02 -1.26 -4.74 135.00 138.16 2wx6 s PRO 192 Ca 0.46 2.37 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 2wx6 s PRO 192 Cb -0.20 -2.61 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 2wx6 s PRO 192 CO 0.25 -0.85 0.16 0.42 -0.33 0.00 0.00 177.00 176.65 2wx6 s ILE 193 N -1.22 5.37 0.93 2.83 1.01 -1.26 -0.31 121.20 128.55 2wx6 s ILE 193 Ca 0.62 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 61.34 2wx6 s ILE 193 Cb -0.43 -3.50 0.16 0.00 0.01 0.00 0.00 42.46 38.70 2wx6 s ILE 193 CO 0.55 0.39 1.23 0.54 0.00 0.00 0.00 174.94 177.64 2wx6 s ASN 194 N 0.72 3.38 0.00 3.58 2.20 -0.08 -4.85 114.94 119.90 2wx6 s ASN 194 Ca 0.08 0.57 0.18 0.00 -0.94 0.00 0.00 52.86 52.76 2wx6 s ASN 194 Cb -0.12 -0.85 0.95 0.00 -2.00 0.00 0.00 41.25 39.22 2wx6 s ASN 194 CO 0.02 -2.59 1.55 0.18 -2.94 0.00 0.00 177.10 173.31 2wx6 n LEU 195 N -3.73 0.00 -0.64 3.54 4.77 -1.26 -1.12 117.00 118.56 2wx6 n LEU 195 Ca 0.11 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2wx6 n LEU 195 Cb 0.60 -0.25 0.38 0.00 -2.33 0.00 0.00 43.42 41.82 2wx6 n LEU 195 CO 0.51 -0.10 0.78 0.18 -1.33 0.00 0.00 177.39 177.43 2wx6 n LEU 196 N -1.25 1.94 0.00 2.23 4.77 -1.26 -4.96 117.00 118.47 2wx6 n LEU 196 Ca 0.09 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2wx6 n LEU 196 Cb 0.13 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2wx6 n LEU 196 CO 0.13 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2wx6 n GLY 197 N 1.21 0.78 3.79 -0.72 0.00 -0.28 -5.05 105.19 104.92 2wx6 n GLY 197 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2wx6 n GLY 197 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wx6 s PHE 198 N -2.94 3.30 0.41 1.61 0.40 -1.26 -4.85 117.98 114.65 2wx6 s PHE 198 Ca 0.00 0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.28 2wx6 s PHE 198 Cb 0.00 -1.74 -0.09 0.00 0.51 0.00 0.00 43.02 41.70 2wx6 s PHE 198 CO 0.00 0.55 1.36 0.15 0.70 0.00 0.00 175.22 177.98 2wx6 s LYS 199 N -1.73 3.91 -0.22 0.44 1.02 -1.26 -0.90 119.74 121.01 2wx6 s LYS 199 Ca 0.23 2.27 0.02 0.00 0.02 0.00 0.00 55.97 58.51 2wx6 s LYS 199 Cb -0.12 -2.76 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2wx6 s LYS 199 CO 0.14 -0.58 -0.15 0.34 -0.92 0.00 0.00 175.35 174.19 2wx6 s ASP 200 N -0.60 3.76 -0.01 2.83 2.15 0.57 -4.59 116.67 120.78 2wx6 s ASP 200 Ca 0.57 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 52.53 2wx6 s ASP 200 Cb -0.41 -1.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 2wx6 s ASP 200 CO 0.53 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 2wx6 n GLY 201 N 4.55 0.37 0.25 2.66 0.00 -1.26 -4.30 105.19 107.45 2wx6 n GLY 201 Ca -0.17 -0.93 0.02 0.00 0.00 0.00 0.00 46.02 44.95 2wx6 n GLY 201 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wx6 h THR 202 N 0.00 0.60 -0.41 2.61 2.02 -1.94 -2.81 112.91 112.98 2wx6 h THR 202 Ca -0.00 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 2wx6 h THR 202 Cb 0.80 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 2wx6 h THR 202 CO 0.00 0.05 0.10 0.00 0.37 0.00 0.00 175.52 176.05 2wx6 n ALA 203 N -2.62 3.59 -1.78 6.16 0.00 -1.26 -4.94 120.51 119.65 2wx6 n ALA 203 Ca 0.11 -1.28 -0.41 0.00 0.00 0.00 0.00 53.44 51.86 2wx6 n ALA 203 Cb 0.37 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 2wx6 n ALA 203 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2wx6 s ASN 204 N -0.43 6.52 0.79 0.00 0.01 -1.06 -5.00 114.94 115.76 2wx6 s ASN 204 Ca 0.33 2.88 -0.14 0.00 -0.71 0.00 0.00 52.86 55.22 2wx6 s ASN 204 Cb 0.26 -2.65 0.04 0.00 0.41 0.00 0.00 41.25 39.30 2wx6 s ASN 204 CO 0.09 -0.75 0.98 -0.81 -1.51 0.00 0.00 177.10 175.10 2wx6 n PRO 205 N 0.93 0.24 -2.27 -0.60 -0.04 -1.26 -4.89 135.00 127.11 2wx6 n PRO 205 Ca 0.02 0.15 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 2wx6 n PRO 205 Cb 0.40 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 2wx6 n PRO 205 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wx6 s ASP 206 N -1.90 5.96 0.34 3.54 2.15 -1.26 -4.88 116.67 120.62 2wx6 s ASP 206 Ca 0.71 0.47 0.26 0.00 0.43 0.00 0.00 52.55 54.42 2wx6 s ASP 206 Cb -0.31 -2.54 1.09 0.00 -0.30 0.00 0.00 42.92 40.86 2wx6 s ASP 206 CO 0.53 -1.81 1.79 0.77 -0.17 0.00 0.00 175.17 176.28 2wx6 h SER 207 N 11.96 0.00 1.03 -0.34 4.64 -1.93 -0.21 113.55 128.70 2wx6 h SER 207 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2wx6 h SER 207 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wx6 h SER 207 CO 1.16 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 176.95 2wx6 n GLN 208 N -2.46 0.11 -2.52 4.77 6.02 -1.26 -4.62 117.38 117.41 2wx6 n GLN 208 Ca 0.02 0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.68 2wx6 n GLN 208 Cb 0.25 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 2wx6 n GLN 208 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2wx6 s ASN 209 N -3.60 6.41 0.09 1.08 3.84 -0.09 -4.86 114.94 117.80 2wx6 s ASN 209 Ca 0.11 -1.44 -0.12 0.00 0.21 0.00 0.00 52.86 51.63 2wx6 s ASN 209 Cb 0.16 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.33 2wx6 s ASN 209 CO 0.60 -1.59 0.72 -0.90 -2.79 0.00 0.00 177.10 173.14 2wx6 n ASP 210 N 9.27 -0.41 -0.06 -4.21 5.68 -1.26 -1.70 116.55 123.86 2wx6 n ASP 210 Ca 0.34 0.82 -0.16 0.00 -0.50 0.00 0.00 54.79 55.30 2wx6 n ASP 210 Cb 0.50 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 2wx6 n ASP 210 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2wx6 h LYS 211 N 0.00 0.77 0.19 0.11 3.64 -1.95 -2.90 116.57 116.43 2wx6 h LYS 211 Ca 0.12 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2wx6 h LYS 211 Cb 0.23 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2wx6 h LYS 211 CO -0.45 1.16 -0.09 1.25 -2.27 0.00 0.00 179.45 179.05 2wx6 h LEU 212 N 0.50 -0.21 -1.30 5.20 5.85 -1.76 -2.95 115.31 120.65 2wx6 h LEU 212 Ca -0.01 -0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.82 2wx6 h LEU 212 Cb 1.18 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 2wx6 h LEU 212 CO 0.12 -0.12 0.56 0.24 -0.34 0.00 0.00 178.44 178.91 2wx6 h MET 213 N -0.29 0.68 -0.87 1.25 2.86 -1.37 0.15 114.93 117.34 2wx6 h MET 213 Ca -0.03 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2wx6 h MET 213 Cb 0.22 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 2wx6 h MET 213 CO 0.04 0.45 0.56 1.96 1.06 0.00 0.00 176.91 180.99 2wx6 h GLN 214 N 0.70 0.92 0.16 1.72 4.20 -1.34 -1.11 115.11 120.36 2wx6 h GLN 214 Ca 0.43 -0.06 -0.25 0.00 0.06 0.00 0.00 58.65 58.84 2wx6 h GLN 214 Cb 0.67 -0.21 0.02 0.00 0.30 0.00 0.00 27.48 28.26 2wx6 h GLN 214 CO -0.19 0.61 -1.15 0.87 -0.67 0.00 0.00 178.83 178.30 2wx6 h LYS 215 N 0.95 0.33 0.00 1.46 1.57 -0.72 -3.38 116.57 116.78 2wx6 h LYS 215 Ca 0.38 -0.57 -0.13 0.00 -1.87 0.00 0.00 60.65 58.46 2wx6 h LYS 215 Cb 0.25 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2wx6 h LYS 215 CO -0.14 1.27 -0.76 0.28 -0.57 0.00 0.00 179.45 179.53 2wx6 h VAL 216 N -0.24 0.94 0.00 0.50 2.07 -0.71 -3.45 116.25 115.37 2wx6 h VAL 216 Ca -0.22 -1.98 -0.27 0.00 0.82 0.00 0.00 66.70 65.05 2wx6 h VAL 216 Cb 1.80 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 33.58 2wx6 h VAL 216 CO 0.15 0.32 -1.54 0.52 0.02 0.00 0.00 177.57 177.04 2wx6 n VAL 217 N -4.52 1.53 -2.91 2.57 0.31 -0.48 -0.51 118.33 114.31 2wx6 n VAL 217 Ca -0.21 -0.10 -0.40 0.00 -0.01 0.00 0.00 64.34 63.62 2wx6 n VAL 217 Cb 0.53 -2.03 -0.06 0.00 -0.91 0.00 0.00 33.84 31.37 2wx6 n VAL 217 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 2wx6 s TRP 218 N -2.41 3.87 0.16 3.52 0.23 -0.87 -2.48 118.94 120.96 2wx6 s TRP 218 Ca -0.31 1.67 -0.31 0.00 -2.03 0.00 0.00 56.10 55.12 2wx6 s TRP 218 Cb 0.08 -2.85 -0.08 0.00 0.03 0.00 0.00 33.47 30.65 2wx6 s TRP 218 CO 0.54 0.42 1.38 0.08 0.96 0.00 0.00 176.95 180.33 2wx6 s VAL 219 N -0.78 3.17 0.42 4.03 1.01 -0.47 -4.66 120.40 123.12 2wx6 s VAL 219 Ca 0.38 0.89 0.07 0.00 0.00 0.00 0.00 61.98 63.32 2wx6 s VAL 219 Cb -0.23 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2wx6 s VAL 219 CO 0.27 0.10 0.05 0.42 0.00 0.00 0.00 175.10 175.93 2wx6 s THR 220 N 0.70 1.99 0.28 3.92 -4.23 -1.26 -1.08 115.64 115.97 2wx6 s THR 220 Ca 0.62 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.17 2wx6 s THR 220 Cb -0.38 -2.93 0.27 0.00 1.34 0.00 0.00 72.50 70.80 2wx6 s THR 220 CO 0.34 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.34 2wx6 h ALA 221 N 1.66 1.41 0.00 3.99 0.00 -1.98 -2.97 119.26 121.36 2wx6 h ALA 221 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wx6 h ALA 221 Cb 1.25 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2wx6 h ALA 221 CO 0.78 0.50 0.00 -0.40 0.00 0.00 0.00 179.25 180.13 2wx6 n ASP 222 N -4.44 0.00 -4.94 0.00 5.75 -1.26 -4.68 116.55 106.98 2wx6 n ASP 222 Ca 0.12 -0.56 -0.24 0.00 -0.01 0.00 0.00 54.79 54.10 2wx6 n ASP 222 Cb 0.11 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 2wx6 n ASP 222 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2wx6 s GLN 223 N -2.00 3.49 0.00 0.11 -0.21 -1.13 -4.97 119.66 114.95 2wx6 s GLN 223 Ca 0.14 -0.30 0.00 0.00 0.02 0.00 0.00 55.36 55.22 2wx6 s GLN 223 Cb 0.06 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2wx6 s GLN 223 CO 0.11 0.13 0.73 0.94 -2.12 0.00 0.00 175.29 175.08 2wx6 n GLN 224 N -1.79 0.88 -2.51 2.91 7.27 -1.26 -4.92 117.38 117.97 2wx6 n GLN 224 Ca -0.04 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.71 2wx6 n GLN 224 Cb 0.56 -1.16 -0.03 0.00 2.41 0.00 0.00 30.24 32.02 2wx6 n GLN 224 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2wx6 s GLU 225 N -1.65 3.89 0.62 3.69 0.41 -1.26 -4.97 118.70 119.43 2wx6 s GLU 225 Ca 0.00 0.81 -0.19 0.00 -0.41 0.00 0.00 54.97 55.19 2wx6 s GLU 225 Cb 0.00 -2.20 -0.03 0.00 -1.78 0.00 0.00 34.13 30.12 2wx6 s GLU 225 CO 0.00 -0.22 1.21 -0.35 -0.49 0.00 0.00 175.26 175.41 2wx6 n PRO 226 N -1.54 1.15 0.10 0.39 -0.04 -1.26 -4.91 135.00 128.90 2wx6 n PRO 226 Ca 0.05 0.44 -0.02 0.00 -0.04 0.00 0.00 63.50 63.94 2wx6 n PRO 226 Cb 0.54 -2.43 0.23 0.00 -0.04 0.00 0.00 33.50 31.80 2wx6 n PRO 226 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wx6 h ALA 227 N 0.67 1.13 -0.09 0.55 0.00 -1.95 -2.59 119.26 116.98 2wx6 h ALA 227 Ca -0.50 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.02 2wx6 h ALA 227 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wx6 h ALA 227 CO 0.53 0.59 0.20 0.11 0.00 0.00 0.00 179.25 180.68 2wx6 h TRP 228 N 0.17 0.00 0.00 0.00 5.08 -1.91 -2.19 115.95 117.11 2wx6 h TRP 228 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 2wx6 h TRP 228 Cb 0.82 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 2wx6 h TRP 228 CO 0.01 0.00 -0.01 0.25 -1.28 0.00 0.00 178.44 177.41 2wx6 n THR 229 N -3.32 0.26 -2.06 0.12 -2.24 -0.98 -4.59 114.28 101.49 2wx6 n THR 229 Ca -0.00 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 2wx6 n THR 229 Cb 0.29 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 2wx6 n THR 229 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wx6 s ILE 230 N -3.05 3.23 0.00 2.28 1.01 -0.83 -1.04 121.20 122.81 2wx6 s ILE 230 Ca 0.12 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.52 2wx6 s ILE 230 Cb 0.16 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2wx6 s ILE 230 CO 0.56 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2wx6 n GLY 231 N 3.77 0.68 0.00 6.18 0.00 -0.24 -4.69 105.19 110.89 2wx6 n GLY 231 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wx6 n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 232 N -2.00 0.94 3.52 -0.02 0.00 -0.20 -4.32 105.19 103.11 2wx6 n GLY 232 Ca 0.00 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.91 2wx6 n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wx6 s SER 233 N -1.00 -0.65 0.08 1.61 0.15 -0.13 -1.36 113.70 112.40 2wx6 s SER 233 Ca 0.00 0.81 -0.25 0.00 0.70 0.00 0.00 55.95 57.21 2wx6 s SER 233 Cb 0.00 0.69 -0.06 0.00 -1.71 0.00 0.00 66.02 64.94 2wx6 s SER 233 CO 0.00 -0.54 0.78 -0.31 1.20 0.00 0.00 173.24 174.37 2wx6 s TYR 234 N -0.92 3.79 -0.17 3.44 2.02 0.17 -0.30 117.35 125.39 2wx6 s TYR 234 Ca -0.09 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.15 2wx6 s TYR 234 Cb -0.01 -2.82 0.03 0.00 -0.40 0.00 0.00 41.96 38.76 2wx6 s TYR 234 CO 0.08 0.34 -0.12 -1.14 -1.57 0.00 0.00 175.55 173.15 2wx6 s GLN 235 N -0.38 2.10 -0.17 -0.62 0.74 0.70 -1.60 119.66 120.43 2wx6 s GLN 235 Ca 0.38 -0.65 -0.07 0.00 0.05 0.00 0.00 55.36 55.07 2wx6 s GLN 235 Cb -0.21 -2.19 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 2wx6 s GLN 235 CO 0.24 -0.32 0.07 0.00 -0.55 0.00 0.00 175.29 174.73 2wx6 s ALA 236 N 1.47 3.47 -0.09 1.58 0.00 -0.60 -0.40 121.76 127.20 2wx6 s ALA 236 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.28 2wx6 s ALA 236 Cb -0.14 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.09 2wx6 s ALA 236 CO -0.09 0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.84 2wx6 s VAL 237 N 0.07 1.63 -0.09 0.00 1.01 0.09 -1.35 120.40 121.77 2wx6 s VAL 237 Ca 0.06 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2wx6 s VAL 237 Cb -0.12 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2wx6 s VAL 237 CO 0.01 0.47 -0.03 -0.13 0.00 0.00 0.00 175.10 175.41 2wx6 s ARG 238 N 0.58 0.97 -0.51 2.72 1.81 0.22 -0.61 118.95 124.14 2wx6 s ARG 238 Ca -0.15 -0.04 -0.23 0.00 -1.72 0.00 0.00 55.73 53.59 2wx6 s ARG 238 Cb -0.17 -1.23 0.04 0.00 -0.45 0.00 0.00 34.95 33.14 2wx6 s ARG 238 CO 0.05 -0.29 0.81 -0.51 -0.68 0.00 0.00 175.30 174.68 2wx6 s LEU 239 N 1.87 4.36 -0.21 2.53 1.02 -0.37 -0.62 118.68 127.26 2wx6 s LEU 239 Ca 0.05 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.81 2wx6 s LEU 239 Cb -0.12 -2.78 0.03 0.00 0.02 0.00 0.00 46.19 43.34 2wx6 s LEU 239 CO -0.06 -1.04 -0.16 -0.63 0.02 0.00 0.00 176.35 174.47 2wx6 s ILE 240 N 3.40 2.18 0.20 -0.59 1.01 -0.35 -0.80 121.20 126.26 2wx6 s ILE 240 Ca 0.26 -1.11 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2wx6 s ILE 240 Cb -0.14 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 2wx6 s ILE 240 CO 0.19 0.37 0.82 -1.58 0.00 0.00 0.00 174.94 174.73 2wx6 s GLN 241 N 1.25 4.60 -0.04 2.79 0.74 -0.33 -0.45 119.66 128.22 2wx6 s GLN 241 Ca 0.01 1.22 -0.00 0.00 0.05 0.00 0.00 55.36 56.64 2wx6 s GLN 241 Cb -0.15 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 2wx6 s GLN 241 CO -0.10 0.53 0.00 -0.06 -0.55 0.00 0.00 175.29 175.11 2wx6 s PHE 242 N -1.22 3.11 -1.16 1.67 0.08 0.23 -0.90 117.98 119.79 2wx6 s PHE 242 Ca 0.38 0.13 -0.16 0.00 0.12 0.00 0.00 56.93 57.41 2wx6 s PHE 242 Cb -0.23 -1.73 0.14 0.00 -0.57 0.00 0.00 43.02 40.63 2wx6 s PHE 242 CO 0.27 0.46 1.43 1.03 -0.10 0.00 0.00 175.22 178.31 2wx6 s ARG 243 N -1.22 3.95 0.11 0.44 0.52 0.73 -4.58 118.95 118.90 2wx6 s ARG 243 Ca 0.16 -2.24 -0.13 0.00 -0.52 0.00 0.00 55.73 53.00 2wx6 s ARG 243 Cb -0.11 -5.13 -0.13 0.00 0.52 0.00 0.00 34.95 30.09 2wx6 s ARG 243 CO 0.06 -1.88 1.34 -0.39 0.02 0.00 0.00 175.30 174.46 2wx6 h VAL 244 N 5.16 1.28 -0.03 3.52 -1.51 -1.86 -0.96 116.25 121.84 2wx6 h VAL 244 Ca 0.30 -1.87 -0.00 0.00 -1.23 0.00 0.00 66.70 63.90 2wx6 h VAL 244 Cb 0.91 1.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.91 2wx6 h VAL 244 CO 1.27 0.60 0.01 -0.33 -1.23 0.00 0.00 177.57 177.89 2wx6 h GLU 245 N 0.58 0.04 0.02 5.19 3.07 -1.93 0.03 114.58 121.58 2wx6 h GLU 245 Ca -0.03 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2wx6 h GLU 245 Cb 1.30 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 2wx6 h GLU 245 CO 0.14 0.11 -0.10 0.35 -1.40 0.00 0.00 179.01 178.11 2wx6 h PHE 246 N -0.04 -0.26 -0.50 4.33 3.57 -1.97 -2.52 116.94 119.56 2wx6 h PHE 246 Ca 0.01 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.61 2wx6 h PHE 246 Cb 0.08 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 2wx6 h PHE 246 CO -0.05 -0.16 0.05 2.35 -2.23 0.00 0.00 178.31 178.27 2wx6 h TRP 247 N -0.19 0.06 0.00 0.41 2.91 -1.00 -1.79 115.95 116.36 2wx6 h TRP 247 Ca 0.03 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 2wx6 h TRP 247 Cb 0.22 0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.92 2wx6 h TRP 247 CO -0.15 -0.06 -0.01 -0.44 -1.03 0.00 0.00 178.44 176.74 2wx6 h ASP 248 N 0.17 0.00 -0.72 2.65 5.19 -0.71 -1.19 116.42 121.81 2wx6 h ASP 248 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2wx6 h ASP 248 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2wx6 h ASP 248 CO -0.37 0.01 0.00 0.54 -3.12 0.00 0.00 179.24 176.30 2wx6 n ARG 249 N -3.14 2.90 -3.74 3.56 1.74 -0.71 -4.94 116.66 112.32 2wx6 n ARG 249 Ca -0.02 -2.67 -0.37 0.00 -0.77 0.00 0.00 57.85 54.02 2wx6 n ARG 249 Cb 0.14 -1.63 -0.07 0.00 -1.02 0.00 0.00 32.46 29.88 2wx6 n ARG 249 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wx6 s THR 250 N -1.19 5.39 0.33 0.55 2.01 -0.45 -5.05 115.64 117.22 2wx6 s THR 250 Ca 0.49 0.35 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 2wx6 s THR 250 Cb 0.27 -3.50 -0.13 0.00 0.01 0.00 0.00 72.50 69.15 2wx6 s THR 250 CO 0.31 0.53 0.86 -2.65 -0.69 0.00 0.00 174.62 172.98 2wx6 n PRO 251 N 2.58 1.03 -0.26 4.92 -0.02 -1.26 -4.80 135.00 137.20 2wx6 n PRO 251 Ca -0.17 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.71 2wx6 n PRO 251 Cb 0.53 -1.71 0.16 0.00 -0.02 0.00 0.00 33.50 32.46 2wx6 n PRO 251 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wx6 h LEU 252 N 1.54 0.45 -0.56 2.45 5.85 -1.97 -1.06 115.31 122.01 2wx6 h LEU 252 Ca -0.39 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.50 2wx6 h LEU 252 Cb 1.36 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.32 2wx6 h LEU 252 CO 0.58 0.24 0.14 0.50 -0.34 0.00 0.00 178.44 179.55 2wx6 h LYS 253 N 0.59 0.27 -0.39 1.25 3.64 -1.99 0.15 116.57 120.09 2wx6 h LYS 253 Ca 0.38 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 2wx6 h LYS 253 Cb 0.45 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2wx6 h LYS 253 CO -0.30 0.18 -0.28 1.49 -2.27 0.00 0.00 179.45 178.27 2wx6 h GLU 254 N 0.28 0.82 -0.31 1.90 4.57 -1.83 0.45 114.58 120.46 2wx6 h GLU 254 Ca 0.29 -0.37 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2wx6 h GLU 254 Cb 0.40 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 2wx6 h GLU 254 CO -0.35 1.00 0.04 1.96 -1.18 0.00 0.00 179.01 180.48 2wx6 h GLN 255 N 0.70 0.14 -0.29 1.92 4.20 -0.28 -0.93 115.11 120.58 2wx6 h GLN 255 Ca 0.08 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2wx6 h GLN 255 Cb 0.82 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2wx6 h GLN 255 CO 0.07 0.09 -0.32 1.96 -0.67 0.00 0.00 178.83 179.96 2wx6 h GLN 256 N 0.15 0.63 -0.34 1.46 4.20 -0.59 -2.52 115.11 118.09 2wx6 h GLN 256 Ca 0.15 -0.28 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 2wx6 h GLN 256 Cb 0.17 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2wx6 h GLN 256 CO -0.21 0.87 0.03 1.15 -0.67 0.00 0.00 178.83 180.00 2wx6 h THR 257 N 0.53 1.19 -0.19 -0.54 2.02 -0.63 0.33 112.91 115.62 2wx6 h THR 257 Ca 0.06 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 2wx6 h THR 257 Cb 0.82 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2wx6 h THR 257 CO 0.07 0.25 -0.25 0.40 0.37 0.00 0.00 175.52 176.36 2wx6 h ILE 258 N 0.50 1.34 0.00 3.11 2.04 -0.86 -3.27 117.51 120.37 2wx6 h ILE 258 Ca 0.11 -1.44 -0.11 0.00 1.00 0.00 0.00 64.86 64.42 2wx6 h ILE 258 Cb 0.28 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2wx6 h ILE 258 CO 0.01 0.44 -0.70 -0.26 0.00 0.00 0.00 178.15 177.64 2wx6 h PHE 259 N 0.16 0.00 0.00 1.37 0.04 -1.25 -1.35 116.94 115.91 2wx6 h PHE 259 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2wx6 h PHE 259 Cb 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 2wx6 h PHE 259 CO 0.09 0.46 0.00 0.41 -0.60 0.00 0.00 178.31 178.66 2wx6 n GLY 260 N 1.25 0.50 3.21 -1.45 0.00 0.12 -3.04 105.19 105.77 2wx6 n GLY 260 Ca -0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2wx6 n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wx6 s ARG 261 N -0.29 0.94 0.20 1.61 0.52 -1.17 -1.36 118.95 119.39 2wx6 s ARG 261 Ca 0.00 -1.25 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 2wx6 s ARG 261 Cb 0.00 -0.64 -0.09 0.00 0.52 0.00 0.00 34.95 34.74 2wx6 s ARG 261 CO 0.00 0.10 1.36 0.34 0.02 0.00 0.00 175.30 177.12 2wx6 s ASP 262 N -2.62 6.82 0.01 0.23 2.15 0.41 -4.57 116.67 119.10 2wx6 s ASP 262 Ca 0.09 2.46 -0.25 0.00 0.43 0.00 0.00 52.55 55.28 2wx6 s ASP 262 Cb -0.02 -2.61 -0.18 0.00 -0.30 0.00 0.00 42.92 39.81 2wx6 s ASP 262 CO 0.01 -0.59 1.38 0.50 -0.17 0.00 0.00 175.17 176.30 2wx6 h LYS 263 N 5.47 -0.12 0.00 4.34 3.64 -1.94 -0.04 116.57 127.92 2wx6 h LYS 263 Ca -0.45 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.86 2wx6 h LYS 263 Cb 1.21 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2wx6 h LYS 263 CO 0.79 0.20 -0.41 -0.56 -2.27 0.00 0.00 179.45 177.20 2wx6 h GLN 264 N -0.45 0.00 0.08 1.90 -0.00 -1.93 -3.35 115.11 111.36 2wx6 h GLN 264 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.30 2wx6 h GLN 264 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.83 2wx6 h GLN 264 CO 0.02 0.41 -1.89 2.41 -0.00 0.00 0.00 178.83 179.78 2wx6 n THR 265 N -3.88 1.68 -0.32 1.86 -1.04 -1.23 -4.98 114.28 106.38 2wx6 n THR 265 Ca -0.01 -0.48 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 2wx6 n THR 265 Cb 0.46 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 2wx6 n THR 265 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wx6 n GLY 266 N 1.85 1.76 3.76 3.41 0.00 -0.03 -4.44 105.19 111.50 2wx6 n GLY 266 Ca -0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 2wx6 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx6 s ALA 267 N -3.10 3.48 0.67 4.61 0.00 -1.26 -4.67 121.76 121.49 2wx6 s ALA 267 Ca 0.00 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 2wx6 s ALA 267 Cb 0.00 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2wx6 s ALA 267 CO 0.00 -0.51 1.29 -2.30 0.00 0.00 0.00 175.76 174.24 2wx6 n PRO 268 N 1.05 1.02 -2.12 0.00 -0.02 -1.26 -0.45 135.00 133.22 2wx6 n PRO 268 Ca 0.00 0.41 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 2wx6 n PRO 268 Cb 0.43 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.37 2wx6 n PRO 268 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wx6 s LEU 269 N -4.50 4.18 -0.77 2.45 1.43 -0.47 -2.09 118.68 118.91 2wx6 s LEU 269 Ca 0.82 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 56.47 2wx6 s LEU 269 Cb -0.37 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 41.88 2wx6 s LEU 269 CO 0.41 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.76 2wx6 n GLY 270 N 0.65 0.78 3.23 -3.19 0.00 -1.26 -4.76 105.19 100.64 2wx6 n GLY 270 Ca 0.04 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 2wx6 n GLY 270 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wx6 s MET 271 N -2.99 1.38 -0.26 1.61 -1.94 -0.89 -5.12 119.30 111.09 2wx6 s MET 271 Ca 0.00 -1.76 -0.12 0.00 -1.71 0.00 0.00 55.69 52.10 2wx6 s MET 271 Cb 0.00 0.28 -0.12 0.00 2.01 0.00 0.00 34.83 37.01 2wx6 s MET 271 CO 0.00 -0.47 -0.33 1.04 -0.01 0.00 0.00 175.02 175.25 2wx6 n GLN 272 N -0.39 0.56 -4.07 2.03 1.13 -1.26 -4.79 117.38 110.58 2wx6 n GLN 272 Ca 0.04 0.24 -0.33 0.00 -1.94 0.00 0.00 57.00 55.01 2wx6 n GLN 272 Cb 0.65 -1.43 -0.07 0.00 0.11 0.00 0.00 30.24 29.50 2wx6 n GLN 272 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2wx6 s HIS 273 N -2.48 3.30 0.27 1.08 3.76 -1.26 -4.86 115.29 115.11 2wx6 s HIS 273 Ca -0.36 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 2wx6 s HIS 273 Cb 0.14 -1.73 0.64 0.00 1.11 0.00 0.00 32.58 32.73 2wx6 s HIS 273 CO 0.47 0.56 1.68 1.49 -0.85 0.00 0.00 174.74 178.08 2wx6 h GLU 274 N 3.95 0.29 -0.63 1.40 4.81 -1.83 -1.35 114.58 121.21 2wx6 h GLU 274 Ca -0.49 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2wx6 h GLU 274 Cb 1.18 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2wx6 h GLU 274 CO 0.64 0.19 0.00 0.72 -0.73 0.00 0.00 179.01 179.83 2wx6 n HIS 275 N -5.14 1.28 -1.70 0.92 8.25 -1.26 -4.21 115.22 113.36 2wx6 n HIS 275 Ca 0.19 -0.50 -0.40 0.00 -0.26 0.00 0.00 57.72 56.76 2wx6 n HIS 275 Cb 0.60 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.51 2wx6 n HIS 275 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2wx6 n ASP 276 N 0.85 2.24 -4.36 0.41 8.00 -0.51 -5.03 116.55 118.16 2wx6 n ASP 276 Ca 0.21 1.01 -0.33 0.00 0.71 0.00 0.00 54.79 56.39 2wx6 n ASP 276 Cb 0.78 -1.50 -0.14 0.00 -0.02 0.00 0.00 41.12 40.24 2wx6 n ASP 276 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wx6 s VAL 277 N -1.29 3.10 0.54 2.53 1.01 -1.26 -4.66 120.40 120.37 2wx6 s VAL 277 Ca 0.67 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 2wx6 s VAL 277 Cb -0.46 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 2wx6 s VAL 277 CO 0.53 0.51 0.92 -2.16 0.00 0.00 0.00 175.10 174.90 2wx6 s PRO 278 N 0.55 3.65 -0.40 2.72 0.05 -1.26 -5.04 135.00 135.26 2wx6 s PRO 278 Ca -0.08 0.57 -0.06 0.00 0.05 0.00 0.00 61.00 61.49 2wx6 s PRO 278 Cb -0.15 -2.21 0.09 0.00 0.05 0.00 0.00 34.50 32.27 2wx6 s PRO 278 CO 0.03 -0.36 0.21 0.34 0.05 0.00 0.00 177.00 177.28 2wx6 s ASP 279 N -3.90 5.40 0.14 6.66 2.15 -1.26 -4.96 116.67 120.90 2wx6 s ASP 279 Ca 0.53 -1.71 0.22 0.00 0.43 0.00 0.00 52.55 52.02 2wx6 s ASP 279 Cb -0.11 -1.89 0.89 0.00 -0.30 0.00 0.00 42.92 41.51 2wx6 s ASP 279 CO 0.46 -0.52 1.69 -1.22 -0.17 0.00 0.00 175.17 175.41 2wx6 n TYR 280 N 4.76 0.50 -0.14 -5.34 4.01 -1.26 -2.69 117.16 116.99 2wx6 n TYR 280 Ca -0.07 0.18 -0.01 0.00 -0.16 0.00 0.00 57.90 57.84 2wx6 n TYR 280 Cb 0.42 -0.79 0.24 0.00 -0.31 0.00 0.00 39.34 38.90 2wx6 n TYR 280 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wx6 h ALA 281 N 2.48 1.37 0.00 -0.72 0.00 -2.00 -2.75 119.26 117.64 2wx6 h ALA 281 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wx6 h ALA 281 Cb 0.43 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wx6 h ALA 281 CO 0.00 0.49 0.00 0.43 0.00 0.00 0.00 179.25 180.17 2wx6 n SER 282 N -4.35 0.00 -2.97 0.00 7.64 -1.10 -4.07 113.62 108.77 2wx6 n SER 282 Ca 0.05 0.22 -0.16 0.00 1.01 0.00 0.00 58.87 59.99 2wx6 n SER 282 Cb 0.13 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 2wx6 n SER 282 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2wx6 n ASP 283 N -1.40 1.45 0.30 6.43 2.03 -1.04 -4.98 116.55 119.35 2wx6 n ASP 283 Ca 0.09 -2.99 0.19 0.00 0.52 0.00 0.00 54.79 52.60 2wx6 n ASP 283 Cb 0.26 -0.58 0.90 0.00 -0.72 0.00 0.00 41.12 40.99 2wx6 n ASP 283 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wx6 h PRO 284 N 2.98 0.00 -0.01 -0.67 0.13 -1.70 -0.83 132.00 131.90 2wx6 h PRO 284 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2wx6 h PRO 284 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2wx6 h PRO 284 CO 0.54 0.02 -0.03 0.39 -0.23 0.00 0.00 178.00 178.69 2wx6 n GLU 285 N -3.16 1.61 -3.38 0.86 -0.58 -1.26 -4.96 120.64 109.77 2wx6 n GLU 285 Ca -0.01 -0.96 -0.18 0.00 -0.42 0.00 0.00 57.16 55.59 2wx6 n GLU 285 Cb 0.21 -1.48 0.08 0.00 -0.57 0.00 0.00 31.44 29.67 2wx6 n GLU 285 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wx6 n GLY 286 N 1.20 -0.33 0.11 0.62 0.00 -0.32 -4.77 105.19 101.71 2wx6 n GLY 286 Ca 0.18 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.34 2wx6 n GLY 286 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wx6 h LYS 287 N -2.05 0.00 0.00 1.61 1.57 -1.93 -3.26 116.57 112.51 2wx6 h LYS 287 Ca -0.52 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 57.81 2wx6 h LYS 287 Cb 1.32 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.56 2wx6 h LYS 287 CO 0.47 0.23 -2.53 0.28 -0.57 0.00 0.00 179.45 177.33 2wx6 n VAL 288 N -2.90 1.51 -4.02 0.50 0.31 -1.26 -4.90 118.33 107.56 2wx6 n VAL 288 Ca -0.04 -0.41 -0.31 0.00 -0.01 0.00 0.00 64.34 63.56 2wx6 n VAL 288 Cb 0.73 -1.80 -0.16 0.00 -0.91 0.00 0.00 33.84 31.70 2wx6 n VAL 288 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2wx6 s ILE 289 N -2.51 1.73 0.50 2.52 1.01 -1.26 -4.81 121.20 118.39 2wx6 s ILE 289 Ca -0.38 -1.00 -0.24 0.00 0.00 0.00 0.00 60.65 59.03 2wx6 s ILE 289 Cb 0.14 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.79 2wx6 s ILE 289 CO 0.50 0.24 1.39 0.00 0.00 0.00 0.00 174.94 177.07 2wx6 s ALA 290 N 1.37 3.03 0.58 9.38 0.00 -1.23 -4.33 121.76 130.57 2wx6 s ALA 290 Ca -0.00 1.40 0.28 0.00 0.00 0.00 0.00 51.96 53.63 2wx6 s ALA 290 Cb -0.16 -3.58 1.72 0.00 0.00 0.00 0.00 23.12 21.11 2wx6 s ALA 290 CO -0.09 -1.27 2.19 -0.07 0.00 0.00 0.00 175.76 176.52 2wx6 h LEU 291 N 1.90 0.00 -3.48 0.00 -0.00 -1.86 -2.19 115.31 109.68 2wx6 h LEU 291 Ca -0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.35 2wx6 h LEU 291 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.93 2wx6 h LEU 291 CO 0.59 0.00 0.02 -0.90 -0.00 0.00 0.00 178.44 178.15 2wx6 n ASP 292 N -3.90 5.05 -4.86 -0.43 5.75 -1.26 -4.31 116.55 112.59 2wx6 n ASP 292 Ca -0.01 -3.00 -0.31 0.00 -0.01 0.00 0.00 54.79 51.46 2wx6 n ASP 292 Cb 0.17 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.57 2wx6 n ASP 292 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wx6 s SER 293 N -1.21 6.64 0.11 -1.12 1.04 -0.83 -1.61 113.70 116.72 2wx6 s SER 293 Ca 0.51 1.23 -0.24 0.00 0.48 0.00 0.00 55.95 57.93 2wx6 s SER 293 Cb 0.40 -2.36 -0.08 0.00 0.10 0.00 0.00 66.02 64.07 2wx6 s SER 293 CO 0.13 -0.33 1.68 -0.74 0.98 0.00 0.00 173.24 174.96 2wx6 h HIS 294 N 1.65 -0.39 -0.76 5.02 2.76 -1.38 -1.53 115.15 120.53 2wx6 h HIS 294 Ca -0.47 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 57.80 2wx6 h HIS 294 Cb 1.18 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 30.24 2wx6 h HIS 294 CO 0.61 -0.22 0.41 0.97 -1.30 0.00 0.00 177.93 178.40 2wx6 h ILE 295 N -0.27 0.88 0.18 6.26 2.10 -1.82 -3.03 117.51 121.81 2wx6 h ILE 295 Ca 0.04 -0.24 -0.30 0.00 1.08 0.00 0.00 64.86 65.44 2wx6 h ILE 295 Cb 0.31 0.13 0.01 0.00 -1.09 0.00 0.00 36.82 36.19 2wx6 h ILE 295 CO -0.12 0.13 -1.44 -0.09 -1.08 0.00 0.00 178.15 175.55 2wx6 h ARG 296 N 0.69 0.37 0.00 2.19 2.43 -1.77 -3.17 114.38 115.12 2wx6 h ARG 296 Ca 0.37 -0.64 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2wx6 h ARG 296 Cb 0.35 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2wx6 h ARG 296 CO -0.25 1.30 -0.13 -0.07 -1.51 0.00 0.00 179.97 179.31 2wx6 h LEU 297 N -0.08 0.00 -0.09 3.80 3.38 -1.39 -3.06 115.31 117.86 2wx6 h LEU 297 Ca -0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.54 2wx6 h LEU 297 Cb 1.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.67 2wx6 h LEU 297 CO 0.16 0.13 -0.71 0.00 0.09 0.00 0.00 178.44 178.11 2wx6 h ALA 298 N 1.87 0.57 -3.08 1.53 0.00 -1.57 -3.40 119.26 115.18 2wx6 h ALA 298 Ca -0.00 -0.65 -0.67 0.00 0.00 0.00 0.00 54.91 53.60 2wx6 h ALA 298 Cb 0.31 -0.11 -0.32 0.00 0.00 0.00 0.00 17.79 17.67 2wx6 h ALA 298 CO 0.02 0.89 -0.79 -0.80 0.00 0.00 0.00 179.25 178.56 2wx6 s ASN 299 N -6.58 3.77 0.00 0.00 0.01 -1.16 -4.95 114.94 106.03 2wx6 s ASN 299 Ca 0.02 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 2wx6 s ASN 299 Cb 0.09 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 40.14 2wx6 s ASN 299 CO 0.77 -0.03 0.00 -0.24 -1.51 0.00 0.00 177.10 176.09 2wx6 n SER 308 N 4.69 0.00 -4.77 -1.22 2.88 -1.26 -4.89 113.62 109.05 2wx6 n SER 308 Ca -0.19 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.02 2wx6 n SER 308 Cb 0.50 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2wx6 n SER 308 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2wx6 s LEU 309 N 0.00 3.41 0.14 2.46 1.43 -1.26 -4.57 118.68 120.28 2wx6 s LEU 309 Ca 0.00 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.02 2wx6 s LEU 309 Cb 0.00 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2wx6 s LEU 309 CO 0.00 -1.64 0.30 0.00 0.23 0.00 0.00 176.35 175.24 2wx6 s MET 310 N -4.03 1.07 -0.37 1.70 0.23 -1.26 -4.71 119.30 111.93 2wx6 s MET 310 Ca 0.68 -1.00 -0.11 0.00 -1.03 0.00 0.00 55.69 54.23 2wx6 s MET 310 Cb -0.21 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2wx6 s MET 310 CO 0.41 -0.39 0.19 -1.17 -2.03 0.00 0.00 175.02 172.03 2wx6 s LEU 311 N -2.90 4.63 0.18 0.18 2.96 -0.28 -4.50 118.68 118.95 2wx6 s LEU 311 Ca 0.10 -0.96 -0.24 0.00 -0.22 0.00 0.00 54.13 52.82 2wx6 s LEU 311 Cb 0.03 -2.01 -0.08 0.00 0.50 0.00 0.00 46.19 44.63 2wx6 s LEU 311 CO -0.06 -0.36 0.76 -0.13 -1.32 0.00 0.00 176.35 175.24 2wx6 s ARG 312 N 1.55 4.48 -0.43 1.98 0.52 -1.26 -1.48 118.95 124.31 2wx6 s ARG 312 Ca 0.02 1.07 0.08 0.00 -0.52 0.00 0.00 55.73 56.38 2wx6 s ARG 312 Cb -0.19 -3.16 0.26 0.00 0.52 0.00 0.00 34.95 32.38 2wx6 s ARG 312 CO 0.06 0.53 0.69 -2.13 0.02 0.00 0.00 175.30 174.48 2wx6 n ARG 313 N 1.37 0.77 -3.32 3.54 0.63 0.89 -4.98 116.66 115.57 2wx6 n ARG 313 Ca -0.05 -2.66 -0.29 0.00 -0.92 0.00 0.00 57.85 53.93 2wx6 n ARG 313 Cb 0.49 -1.33 -0.03 0.00 0.45 0.00 0.00 32.46 32.04 2wx6 n ARG 313 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2wx6 s GLY 314 N -1.46 1.92 0.10 5.14 0.00 -1.25 -4.04 107.32 107.73 2wx6 s GLY 314 Ca 0.34 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.64 2wx6 s GLY 314 CO -0.15 -0.38 -0.20 -0.19 0.00 0.00 0.00 173.10 172.18 2wx6 s TYR 315 N -2.06 1.72 0.57 1.90 1.51 -0.56 -4.93 117.35 115.48 2wx6 s TYR 315 Ca 0.45 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.92 2wx6 s TYR 315 Cb -0.11 -0.94 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2wx6 s TYR 315 CO 0.29 0.18 1.05 -1.12 -1.11 0.00 0.00 175.55 174.84 2wx6 s SER 316 N -1.87 5.96 0.06 2.29 0.01 0.62 0.21 113.70 120.98 2wx6 s SER 316 Ca 0.05 1.81 0.01 0.00 1.31 0.00 0.00 55.95 59.14 2wx6 s SER 316 Cb -0.10 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2wx6 s SER 316 CO 0.04 -1.04 -0.06 -0.72 0.41 0.00 0.00 173.24 171.86 2wx6 s TYR 317 N -2.40 0.68 -0.19 2.43 -0.85 -0.84 -0.58 117.35 115.61 2wx6 s TYR 317 Ca 0.64 -0.71 -0.06 0.00 -0.52 0.00 0.00 57.07 56.42 2wx6 s TYR 317 Cb -0.15 -0.42 0.09 0.00 0.38 0.00 0.00 41.96 41.86 2wx6 s TYR 317 CO 0.34 -0.15 0.37 0.45 -1.52 0.00 0.00 175.55 175.04 2wx6 s SER 318 N -2.21 0.00 0.00 -0.18 0.15 -1.26 -2.04 113.70 108.16 2wx6 s SER 318 Ca -0.01 0.75 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2wx6 s SER 318 Cb -0.03 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 2wx6 s SER 318 CO -0.03 -0.25 0.00 0.18 1.20 0.00 0.00 173.24 174.35 2wx6 n LEU 319 N 5.38 0.00 0.00 3.45 4.77 -0.39 -5.02 117.00 125.19 2wx6 n LEU 319 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2wx6 n LEU 319 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2wx6 n LEU 319 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 2wx6 n GLY 320 N 5.00 1.36 3.16 -0.72 0.00 -1.26 -4.91 105.19 107.82 2wx6 n GLY 320 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wx6 n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wx6 s VAL 321 N 3.35 1.63 1.08 1.61 1.01 -1.26 -1.99 120.40 125.82 2wx6 s VAL 321 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 2wx6 s VAL 321 Cb 0.00 -1.41 0.23 0.00 0.00 0.00 0.00 36.38 35.20 2wx6 s VAL 321 CO 0.00 0.46 1.01 0.35 0.00 0.00 0.00 175.10 176.92 2wx6 n THR 322 N 3.31 0.00 -0.37 3.92 -2.24 0.20 -4.84 114.28 114.27 2wx6 n THR 322 Ca -0.19 -0.27 -0.01 0.00 -2.27 0.00 0.00 64.05 61.30 2wx6 n THR 322 Cb 0.53 -0.97 0.12 0.00 -2.10 0.00 0.00 70.33 67.91 2wx6 n THR 322 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2wx6 h ASN 323 N -2.36 1.10 0.61 3.42 -1.24 -2.01 -1.07 115.58 114.03 2wx6 h ASN 323 Ca -0.54 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.45 2wx6 h ASN 323 Cb 1.31 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.10 2wx6 h ASN 323 CO 0.45 0.77 0.00 -1.54 -1.29 0.00 0.00 177.43 175.82 2wx6 n SER 324 N -4.43 0.48 0.00 1.15 3.41 -1.26 -4.90 113.62 108.07 2wx6 n SER 324 Ca 0.12 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2wx6 n SER 324 Cb 0.06 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2wx6 n SER 324 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wx6 n GLY 325 N -0.11 1.15 3.95 5.00 0.00 -0.40 -5.12 105.19 109.66 2wx6 n GLY 325 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2wx6 n GLY 325 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wx6 s GLN 326 N -0.54 3.48 0.24 1.61 1.11 -1.26 -4.80 119.66 119.49 2wx6 s GLN 326 Ca 0.00 -0.47 -0.31 0.00 0.01 0.00 0.00 55.36 54.60 2wx6 s GLN 326 Cb 0.00 -2.77 -0.11 0.00 -1.01 0.00 0.00 33.01 29.12 2wx6 s GLN 326 CO 0.00 0.29 1.56 -0.51 0.01 0.00 0.00 175.29 176.64 2wx6 s LEU 327 N -4.01 4.37 -0.47 2.90 1.43 -1.26 0.62 118.68 122.26 2wx6 s LEU 327 Ca 0.38 2.78 -0.18 0.00 -1.03 0.00 0.00 54.13 56.08 2wx6 s LEU 327 Cb -0.10 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.55 2wx6 s LEU 327 CO 0.32 -0.84 0.51 -0.62 0.23 0.00 0.00 176.35 175.95 2wx6 s ASP 328 N 0.71 6.20 0.12 2.29 -1.08 -0.84 -4.69 116.67 119.38 2wx6 s ASP 328 Ca 0.65 -0.91 -0.19 0.00 -0.52 0.00 0.00 52.55 51.58 2wx6 s ASP 328 Cb -0.45 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 38.81 2wx6 s ASP 328 CO 0.40 -0.73 0.48 0.00 0.52 0.00 0.00 175.17 175.85 2wx6 s MET 329 N 2.25 1.13 0.00 4.34 0.23 -1.26 -1.26 119.30 124.73 2wx6 s MET 329 Ca 0.12 -0.55 0.00 0.00 -1.03 0.00 0.00 55.69 54.23 2wx6 s MET 329 Cb -0.19 0.51 0.00 0.00 -1.53 0.00 0.00 34.83 33.61 2wx6 s MET 329 CO 0.11 -0.46 0.00 0.41 -2.03 0.00 0.00 175.02 173.06 2wx6 n GLY 330 N -0.17 -0.63 3.00 3.16 0.00 -0.87 -0.60 105.19 109.08 2wx6 n GLY 330 Ca -0.17 0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2wx6 n GLY 330 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wx6 s LEU 331 N 0.00 1.77 -0.76 0.99 2.96 0.41 -1.98 118.68 122.07 2wx6 s LEU 331 Ca 0.00 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.57 2wx6 s LEU 331 Cb 0.00 -0.55 0.18 0.00 0.50 0.00 0.00 46.19 46.32 2wx6 s LEU 331 CO 0.00 0.06 0.76 -0.76 -1.32 0.00 0.00 176.35 175.09 2wx6 s LEU 332 N 0.22 6.27 -0.19 -0.68 1.43 0.13 -1.21 118.68 124.65 2wx6 s LEU 332 Ca -0.04 -2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 50.48 2wx6 s LEU 332 Cb -0.09 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2wx6 s LEU 332 CO 0.01 -0.76 1.04 0.12 0.23 0.00 0.00 176.35 176.99 2wx6 s PHE 333 N 1.06 3.37 -0.04 0.29 5.36 0.21 -1.50 117.98 126.72 2wx6 s PHE 333 Ca 0.17 1.49 0.04 0.00 -0.96 0.00 0.00 56.93 57.66 2wx6 s PHE 333 Cb -0.15 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.28 2wx6 s PHE 333 CO -0.05 -0.46 -0.15 0.08 -1.46 0.00 0.00 175.22 173.18 2wx6 s VAL 334 N 2.83 1.27 0.05 3.12 1.01 -1.26 -0.61 120.40 126.81 2wx6 s VAL 334 Ca 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2wx6 s VAL 334 Cb -0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2wx6 s VAL 334 CO 0.10 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 2wx6 s TYR 336 N -2.80 1.99 0.01 0.00 2.02 -0.55 -1.56 117.35 116.46 2wx6 s TYR 336 Ca -0.02 -0.43 -0.24 0.00 -0.37 0.00 0.00 57.07 56.01 2wx6 s TYR 336 Cb -0.00 -1.29 0.05 0.00 -0.40 0.00 0.00 41.96 40.32 2wx6 s TYR 336 CO -0.05 -0.08 0.53 1.14 -1.57 0.00 0.00 175.55 175.52 2wx6 s GLN 337 N -0.39 0.98 0.38 -0.62 0.00 -0.63 -1.13 119.66 118.25 2wx6 s GLN 337 Ca 0.05 -0.08 0.16 0.00 -0.00 0.00 0.00 55.36 55.49 2wx6 s GLN 337 Cb -0.10 0.45 0.78 0.00 0.00 0.00 0.00 33.01 34.14 2wx6 s GLN 337 CO 0.00 -0.33 1.82 1.12 0.00 0.00 0.00 175.29 177.90 2wx6 h HIS 338 N 3.03 0.00 -3.15 9.60 2.07 -0.48 0.52 115.15 126.75 2wx6 h HIS 338 Ca -0.29 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 56.88 2wx6 h HIS 338 Cb 1.19 0.00 -0.38 0.00 2.57 0.00 0.00 27.41 30.79 2wx6 h HIS 338 CO 0.39 0.36 -0.69 0.34 -3.07 0.00 0.00 177.93 175.27 2wx6 s ASP 339 N -6.70 1.08 0.13 3.10 2.15 -1.26 -4.63 116.67 110.54 2wx6 s ASP 339 Ca -0.02 0.12 -0.16 0.00 0.43 0.00 0.00 52.55 52.92 2wx6 s ASP 339 Cb 0.13 0.07 -0.02 0.00 -0.30 0.00 0.00 42.92 42.80 2wx6 s ASP 339 CO 0.70 -0.26 1.66 0.25 -0.17 0.00 0.00 175.17 177.35 2wx6 h LEU 340 N 8.40 0.52 -0.62 -1.34 5.85 -1.87 -1.28 115.31 124.97 2wx6 h LEU 340 Ca -0.13 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.48 2wx6 h LEU 340 Cb 1.12 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 2wx6 h LEU 340 CO 0.16 0.56 0.29 -0.08 -0.34 0.00 0.00 178.44 179.03 2wx6 h GLU 341 N 0.45 0.51 0.00 1.25 4.81 -1.97 -2.11 114.58 117.52 2wx6 h GLU 341 Ca 0.12 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2wx6 h GLU 341 Cb 0.21 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2wx6 h GLU 341 CO -0.01 0.34 -0.17 0.87 -0.73 0.00 0.00 179.01 179.31 2wx6 h LYS 342 N 0.52 0.00 0.00 1.92 1.57 -1.90 -2.92 116.57 115.76 2wx6 h LYS 342 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2wx6 h LYS 342 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wx6 h LYS 342 CO -0.24 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.22 2wx6 n GLY 343 N 1.00 0.38 0.18 3.86 0.00 -0.51 -4.03 105.19 106.08 2wx6 n GLY 343 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2wx6 n GLY 343 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wx6 h PHE 344 N 0.00 0.33 -0.95 1.61 3.57 -1.76 -0.83 116.94 118.91 2wx6 h PHE 344 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 2wx6 h PHE 344 Cb 0.00 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 2wx6 h PHE 344 CO 0.00 0.14 0.62 -0.07 -2.23 0.00 0.00 178.31 176.77 2wx6 h LEU 345 N 0.37 0.97 -0.10 0.59 3.38 -1.56 0.19 115.31 119.15 2wx6 h LEU 345 Ca 0.20 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2wx6 h LEU 345 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2wx6 h LEU 345 CO -0.18 0.63 -0.21 0.74 0.09 0.00 0.00 178.44 179.51 2wx6 h THR 346 N 1.10 1.40 -0.39 0.22 2.02 -1.19 -2.82 112.91 113.26 2wx6 h THR 346 Ca 0.40 -1.51 -0.10 0.00 0.77 0.00 0.00 66.41 65.98 2wx6 h THR 346 Cb 0.17 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 2wx6 h THR 346 CO -0.15 0.43 -0.14 0.58 0.37 0.00 0.00 175.52 176.61 2wx6 h VAL 347 N -0.13 1.28 -0.54 3.16 2.07 -0.66 -2.37 116.25 119.06 2wx6 h VAL 347 Ca 0.00 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 2wx6 h VAL 347 Cb 0.80 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2wx6 h VAL 347 CO 0.05 0.42 0.02 -0.61 0.02 0.00 0.00 177.57 177.46 2wx6 h GLN 348 N 0.58 0.90 -0.96 1.57 5.75 -1.09 -2.48 115.11 119.39 2wx6 h GLN 348 Ca 0.09 -0.25 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 2wx6 h GLN 348 Cb 0.68 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.07 2wx6 h GLN 348 CO 0.05 0.89 0.62 -0.22 -2.65 0.00 0.00 178.83 177.51 2wx6 h LYS 349 N 0.84 1.15 -0.41 1.69 3.64 -1.39 -1.86 116.57 120.22 2wx6 h LYS 349 Ca 0.16 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 2wx6 h LYS 349 Cb 0.47 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2wx6 h LYS 349 CO 0.02 0.76 0.10 0.00 -2.27 0.00 0.00 179.45 178.06 2wx6 h ARG 350 N 1.19 0.61 0.00 1.90 3.08 -1.12 -3.06 114.38 116.97 2wx6 h ARG 350 Ca 0.39 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2wx6 h ARG 350 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2wx6 h ARG 350 CO -0.13 0.56 -0.32 1.28 -1.07 0.00 0.00 179.97 180.28 2wx6 n LEU 351 N -4.32 0.76 -4.63 3.04 4.77 -0.85 -4.79 117.00 110.97 2wx6 n LEU 351 Ca 0.03 0.40 -0.51 0.00 -0.03 0.00 0.00 56.01 55.90 2wx6 n LEU 351 Cb 0.20 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 2wx6 n LEU 351 CO 0.38 -0.12 1.08 0.59 -1.33 0.00 0.00 177.39 178.00 2wx6 n ASN 352 N -2.19 2.27 0.00 -1.43 3.02 -0.76 -0.58 115.26 115.58 2wx6 n ASN 352 Ca 0.04 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 2wx6 n ASN 352 Cb 0.44 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 2wx6 n ASN 352 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wx6 n GLY 353 N 3.13 1.01 3.47 7.41 0.00 -1.26 -5.04 105.19 113.91 2wx6 n GLY 353 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2wx6 n GLY 353 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wx6 n GLU 354 N -2.00 0.19 0.06 1.61 0.28 0.25 -4.89 120.64 116.15 2wx6 n GLU 354 Ca 0.00 0.11 0.04 0.00 -0.16 0.00 0.00 57.16 57.15 2wx6 n GLU 354 Cb 0.00 -1.87 0.45 0.00 1.43 0.00 0.00 31.44 31.45 2wx6 n GLU 354 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wx6 h ALA 355 N -0.62 1.71 -0.06 -1.84 0.00 -1.64 -2.11 119.26 114.71 2wx6 h ALA 355 Ca -0.45 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.42 2wx6 h ALA 355 Cb 1.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2wx6 h ALA 355 CO 0.41 0.24 0.11 1.25 0.00 0.00 0.00 179.25 181.26 2wx6 h LEU 356 N 0.40 0.00 -2.18 0.00 5.85 -1.83 -2.92 115.31 114.63 2wx6 h LEU 356 Ca 0.11 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.88 2wx6 h LEU 356 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2wx6 h LEU 356 CO -0.02 0.00 0.16 -0.33 -0.34 0.00 0.00 178.44 177.92 2wx6 h GLU 357 N 0.00 0.00 0.00 1.25 5.08 -1.70 -0.64 114.58 118.58 2wx6 h GLU 357 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2wx6 h GLU 357 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2wx6 h GLU 357 CO -0.00 0.00 -0.02 1.49 -1.00 0.00 0.00 179.01 179.48 2wx6 h GLU 358 N 0.00 0.00 -0.00 2.33 4.81 -1.74 -3.16 114.58 116.81 2wx6 h GLU 358 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2wx6 h GLU 358 Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2wx6 h GLU 358 CO -0.00 0.02 -0.07 0.66 -0.73 0.00 0.00 179.01 178.90 2wx6 n TYR 359 N -3.32 0.00 -4.22 0.92 4.01 -0.26 -4.94 117.16 109.35 2wx6 n TYR 359 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 2wx6 n TYR 359 Cb 0.14 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.05 2wx6 n TYR 359 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 2wx6 s VAL 360 N -0.73 1.34 -0.30 -0.72 -7.23 -1.12 -0.19 120.40 111.44 2wx6 s VAL 360 Ca 0.04 -1.51 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2wx6 s VAL 360 Cb 0.04 -1.35 0.13 0.00 0.56 0.00 0.00 36.38 35.76 2wx6 s VAL 360 CO 0.10 -0.25 0.26 -0.75 -0.31 0.00 0.00 175.10 174.15 2wx6 s LYS 361 N -2.11 0.32 0.06 4.82 2.20 -0.08 -4.82 119.74 120.14 2wx6 s LYS 361 Ca 0.04 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.05 2wx6 s LYS 361 Cb -0.08 -0.78 -0.08 0.00 -1.51 0.00 0.00 37.83 35.38 2wx6 s LYS 361 CO 0.03 -1.04 1.56 -2.14 -0.36 0.00 0.00 175.35 173.40 2wx6 s PRO 362 N 2.22 4.23 0.00 4.03 0.02 -1.26 -1.19 135.00 143.05 2wx6 s PRO 362 Ca 0.10 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2wx6 s PRO 362 Cb -0.15 -3.53 0.00 0.00 0.02 0.00 0.00 34.50 30.84 2wx6 s PRO 362 CO -0.31 -0.66 0.24 0.44 -0.33 0.00 0.00 177.00 176.38 2wx6 n ILE 363 N 4.59 0.00 -3.86 2.83 -5.35 0.02 -0.02 119.36 117.57 2wx6 n ILE 363 Ca 0.15 -0.32 0.01 0.00 -0.27 0.00 0.00 62.75 62.32 2wx6 n ILE 363 Cb 0.41 1.28 0.01 0.00 -1.74 0.00 0.00 39.64 39.60 2wx6 n ILE 363 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wx6 n GLY 364 N 0.15 0.56 0.00 3.28 0.00 -1.21 -0.59 105.19 107.38 2wx6 n GLY 364 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2wx6 n GLY 364 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 365 N -0.37 0.21 0.00 -0.02 0.00 -0.24 -1.24 105.19 103.53 2wx6 n GLY 365 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2wx6 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx6 n GLY 366 N 0.00 -1.63 3.34 -0.02 0.00 0.22 -0.75 105.19 106.36 2wx6 n GLY 366 Ca 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 2wx6 n GLY 366 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wx6 s TYR 367 N -2.19 2.62 0.09 1.61 4.12 -1.26 -0.73 117.35 121.62 2wx6 s TYR 367 Ca 0.00 -0.60 -0.06 0.00 0.02 0.00 0.00 57.07 56.43 2wx6 s TYR 367 Cb 0.00 -1.69 -0.02 0.00 -1.52 0.00 0.00 41.96 38.73 2wx6 s TYR 367 CO 0.00 -0.14 0.13 -0.06 0.02 0.00 0.00 175.55 175.50 2wx6 s PHE 368 N -0.09 0.37 -0.32 2.71 0.40 0.47 -4.35 117.98 117.17 2wx6 s PHE 368 Ca -0.04 -0.82 -0.05 0.00 -0.60 0.00 0.00 56.93 55.43 2wx6 s PHE 368 Cb -0.14 -0.20 0.04 0.00 0.51 0.00 0.00 43.02 43.24 2wx6 s PHE 368 CO 0.04 -0.52 0.07 0.12 0.70 0.00 0.00 175.22 175.62 2wx6 s PHE 369 N -3.91 3.26 -0.20 0.36 5.36 0.80 -0.22 117.98 123.42 2wx6 s PHE 369 Ca 0.10 -1.59 -0.29 0.00 -0.96 0.00 0.00 56.93 54.19 2wx6 s PHE 369 Cb 0.06 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 2wx6 s PHE 369 CO -0.08 -0.76 1.57 0.00 -1.46 0.00 0.00 175.22 174.50 2wx6 s ALA 370 N 1.35 3.35 0.80 11.12 0.00 0.59 -1.38 121.76 137.59 2wx6 s ALA 370 Ca -0.03 0.49 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 2wx6 s ALA 370 Cb -0.20 -3.82 0.08 0.00 0.00 0.00 0.00 23.12 19.18 2wx6 s ALA 370 CO 0.01 -1.82 1.18 1.28 0.00 0.00 0.00 175.76 176.42 2wx6 n LEU 371 N 8.10 4.34 -4.46 0.00 4.77 -1.11 -0.96 117.00 127.68 2wx6 n LEU 371 Ca 0.18 0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 56.45 2wx6 n LEU 371 Cb 0.45 -1.50 0.19 0.00 -2.33 0.00 0.00 43.42 40.23 2wx6 n LEU 371 CO 0.64 -1.73 0.19 -0.81 -1.33 0.00 0.00 177.39 174.35 2wx6 n PRO 372 N -3.13 -1.35 -1.48 3.23 -0.04 -1.26 -4.44 135.00 126.53 2wx6 n PRO 372 Ca 0.14 -0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 62.89 2wx6 n PRO 372 Cb 0.50 -2.05 0.09 0.00 -0.04 0.00 0.00 33.50 32.00 2wx6 n PRO 372 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wx6 s GLY 373 N -2.25 2.53 -0.35 0.55 0.00 -0.90 -4.58 107.32 102.33 2wx6 s GLY 373 Ca 0.63 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 46.09 2wx6 s GLY 373 CO 0.64 1.46 1.15 0.14 0.00 0.00 0.00 173.10 176.48 2wx6 s VAL 374 N -1.75 4.35 0.21 1.40 1.01 -1.24 -4.81 120.40 119.58 2wx6 s VAL 374 Ca 0.78 1.52 -0.09 0.00 0.00 0.00 0.00 61.98 64.19 2wx6 s VAL 374 Cb -0.33 -4.39 0.15 0.00 0.00 0.00 0.00 36.38 31.81 2wx6 s VAL 374 CO 0.44 -0.59 1.80 0.11 0.00 0.00 0.00 175.10 176.87 2wx6 h LYS 375 N 8.63 1.11 0.00 2.72 1.57 -1.90 -1.46 116.57 127.24 2wx6 h LYS 375 Ca -0.22 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2wx6 h LYS 375 Cb 1.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2wx6 h LYS 375 CO 1.05 0.86 0.20 -0.40 -0.57 0.00 0.00 179.45 180.59 2wx6 n ASP 376 N -4.38 -0.71 0.00 0.86 5.68 -1.26 -3.56 116.55 113.17 2wx6 n ASP 376 Ca 0.07 -1.41 0.02 0.00 -0.50 0.00 0.00 54.79 52.97 2wx6 n ASP 376 Cb 0.13 1.17 0.09 0.00 -1.14 0.00 0.00 41.12 41.37 2wx6 n ASP 376 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wx6 n ALA 377 N -2.13 1.23 1.01 2.12 0.00 -1.26 -0.69 120.51 120.78 2wx6 n ALA 377 Ca -0.06 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.48 2wx6 n ALA 377 Cb 0.22 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2wx6 n ALA 377 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wx6 n ASN 378 N -1.45 1.30 -4.95 0.00 3.02 -1.26 -4.94 115.26 106.98 2wx6 n ASN 378 Ca 0.01 -1.10 -0.23 0.00 -0.03 0.00 0.00 54.58 53.23 2wx6 n ASN 378 Cb 0.04 0.72 0.01 0.00 -0.61 0.00 0.00 39.78 39.94 2wx6 n ASN 378 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wx6 s ASP 379 N -2.80 5.88 0.07 6.41 2.15 0.13 -5.09 116.67 123.41 2wx6 s ASP 379 Ca 0.13 0.33 -0.01 0.00 0.43 0.00 0.00 52.55 53.43 2wx6 s ASP 379 Cb 0.17 -1.60 -0.04 0.00 -0.30 0.00 0.00 42.92 41.15 2wx6 s ASP 379 CO 0.74 -0.67 -0.01 -0.72 -0.17 0.00 0.00 175.17 174.34 2wx6 s TYR 380 N -2.55 0.59 0.27 -5.34 -0.85 -1.26 -4.83 117.35 103.38 2wx6 s TYR 380 Ca 0.48 -1.10 -0.29 0.00 -0.52 0.00 0.00 57.07 55.64 2wx6 s TYR 380 Cb -0.10 -0.41 -0.14 0.00 0.38 0.00 0.00 41.96 41.69 2wx6 s TYR 380 CO 0.38 -0.41 1.06 1.19 -1.52 0.00 0.00 175.55 176.25 2wx6 n PHE 381 N 0.07 1.36 -3.55 -3.49 3.72 -1.25 -1.88 117.46 112.45 2wx6 n PHE 381 Ca -0.12 0.68 -0.23 0.00 -0.05 0.00 0.00 57.45 57.73 2wx6 n PHE 381 Cb 0.62 -2.27 -0.03 0.00 -0.94 0.00 0.00 39.48 36.85 2wx6 n PHE 381 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wx6 n GLY 382 N 1.35 -0.46 0.29 1.37 0.00 -1.26 -4.75 105.19 101.72 2wx6 n GLY 382 Ca 0.10 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2wx6 n GLY 382 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wx6 h SER 383 N -0.61 0.50 -0.01 1.61 4.64 -1.79 -2.15 113.55 115.73 2wx6 h SER 383 Ca -0.36 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 2wx6 h SER 383 Cb 1.23 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2wx6 h SER 383 CO 0.50 0.26 -0.03 0.00 -0.87 0.00 0.00 176.83 176.70 2wx6 h ALA 384 N 1.48 0.02 -0.97 5.18 0.00 -1.88 -2.57 119.26 120.52 2wx6 h ALA 384 Ca 0.39 -0.31 0.31 0.00 0.00 0.00 0.00 54.91 55.30 2wx6 h ALA 384 Cb 0.46 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 2wx6 h ALA 384 CO -0.30 -0.16 0.46 1.25 0.00 0.00 0.00 179.25 180.50 2wx6 h LEU 385 N -0.55 0.32 0.00 0.00 5.85 -1.85 -2.49 115.31 116.59 2wx6 h LEU 385 Ca -0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2wx6 h LEU 385 Cb 0.63 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2wx6 h LEU 385 CO 0.01 -0.18 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.09 2wx6 h LEU 386 N 0.25 0.00 0.22 2.25 3.38 -1.26 -3.36 115.31 116.78 2wx6 h LEU 386 Ca 0.70 -0.23 -0.34 0.00 0.09 0.00 0.00 57.88 58.10 2wx6 h LEU 386 Cb 1.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.35 2wx6 h LEU 386 CO -0.65 0.11 -1.63 0.03 0.09 0.00 0.00 178.44 176.39 2wx6 h ARG 387 N 0.00 0.46 0.00 1.13 3.08 -1.03 -3.52 114.38 114.50 2wx6 h ARG 387 Ca 0.00 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.27 2wx6 h ARG 387 Cb 0.77 0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2wx6 h ARG 387 CO 0.00 1.37 0.00 1.55 -1.07 0.00 0.00 179.97 181.82