#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wd3 s TRP 5 N 0.00 2.97 0.00 4.41 1.48 -1.26 -4.89 118.94 121.65 2wd3 s TRP 5 Ca 0.00 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.58 2wd3 s TRP 5 Cb 0.00 -3.05 0.00 0.00 -1.16 0.00 0.00 33.47 29.26 2wd3 s TRP 5 CO 0.00 -1.05 0.00 0.41 -4.06 0.00 0.00 176.95 172.25 2wd3 n GLY 6 N -0.65 3.24 0.02 3.67 0.00 -0.13 -5.02 105.19 106.31 2wd3 n GLY 6 Ca 0.09 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.70 2wd3 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wd3 n TYR 7 N 0.00 0.00 -2.04 1.61 4.01 -1.26 -3.84 117.16 115.64 2wd3 n TYR 7 Ca 0.00 -0.45 -0.29 0.00 -0.16 0.00 0.00 57.90 57.00 2wd3 n TYR 7 Cb 0.00 -0.05 0.18 0.00 -0.31 0.00 0.00 39.34 39.16 2wd3 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2wd3 s GLY 8 N -1.03 1.78 0.37 2.72 0.00 -1.26 -4.70 107.32 105.21 2wd3 s GLY 8 Ca 0.04 -1.31 0.05 0.00 0.00 0.00 0.00 44.72 43.49 2wd3 s GLY 8 CO 0.00 -0.56 2.00 1.70 0.00 0.00 0.00 173.10 176.25 2wd3 h LYS 9 N -1.49 0.65 -0.02 2.90 1.63 -1.97 -0.38 116.57 117.89 2wd3 h LYS 9 Ca -0.43 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2wd3 h LYS 9 Cb 1.24 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 2wd3 h LYS 9 CO 0.37 0.47 -0.37 0.72 -3.45 0.00 0.00 179.45 177.19 2wd3 n HIS 10 N -4.42 0.00 -1.21 1.91 8.25 -1.26 -4.46 115.22 114.03 2wd3 n HIS 10 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2wd3 n HIS 10 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 2wd3 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2wd3 n ASN 11 N 0.08 0.00 -2.04 0.41 6.94 -1.19 -4.97 115.26 114.50 2wd3 n ASN 11 Ca 0.09 -1.11 0.00 0.00 -0.02 0.00 0.00 54.58 53.54 2wd3 n ASN 11 Cb 0.43 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 2wd3 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wd3 n GLY 12 N 0.00 -0.47 0.39 4.83 0.00 -0.16 -0.96 105.19 108.83 2wd3 n GLY 12 Ca 0.00 -1.76 0.32 0.00 0.00 0.00 0.00 46.02 44.58 2wd3 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wd3 h PRO 13 N 0.00 0.13 0.00 1.61 0.11 -1.84 0.18 132.00 132.19 2wd3 h PRO 13 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2wd3 h PRO 13 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 2wd3 h PRO 13 CO 0.00 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.27 2wd3 n GLU 14 N -4.93 0.17 0.01 1.05 -0.58 -1.26 -3.05 120.64 112.04 2wd3 n GLU 14 Ca 0.36 0.26 0.07 0.00 -0.42 0.00 0.00 57.16 57.43 2wd3 n GLU 14 Cb 1.27 -1.75 -0.12 0.00 -0.57 0.00 0.00 31.44 30.27 2wd3 n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2wd3 n HIS 15 N -2.05 0.37 -0.12 -0.32 8.25 0.62 -4.63 115.22 117.34 2wd3 n HIS 15 Ca 0.04 0.11 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 2wd3 n HIS 15 Cb 0.31 -0.76 0.49 0.00 1.12 0.00 0.00 29.99 31.15 2wd3 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2wd3 h TRP 16 N 0.00 0.48 -0.11 4.41 6.55 -1.44 -2.57 115.95 123.27 2wd3 h TRP 16 Ca -0.10 0.01 0.03 0.00 0.95 0.00 0.00 58.89 59.78 2wd3 h TRP 16 Cb 1.26 -0.15 -0.00 0.00 -0.86 0.00 0.00 29.16 29.40 2wd3 h TRP 16 CO 0.00 0.21 0.14 1.12 -1.05 0.00 0.00 178.44 178.86 2wd3 h HIS 17 N 0.43 0.00 -0.34 0.49 2.07 -1.80 0.53 115.15 116.53 2wd3 h HIS 17 Ca 0.32 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.74 2wd3 h HIS 17 Cb 0.64 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 2wd3 h HIS 17 CO -0.00 0.00 -0.14 0.87 -3.07 0.00 0.00 177.93 175.59 2wd3 h LYS 18 N 0.00 0.70 0.00 5.12 1.57 -1.81 -2.40 116.57 119.75 2wd3 h LYS 18 Ca 0.05 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 2wd3 h LYS 18 Cb 0.33 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2wd3 h LYS 18 CO -0.00 0.89 -0.98 -0.44 -0.57 0.00 0.00 179.45 178.35 2wd3 h ASP 19 N 0.48 0.00 -2.48 0.86 3.32 -1.65 -3.42 116.42 113.52 2wd3 h ASP 19 Ca 0.08 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.54 2wd3 h ASP 19 Cb 0.67 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.83 2wd3 h ASP 19 CO 0.05 0.42 -0.89 0.49 -1.72 0.00 0.00 179.24 177.59 2wd3 n PHE 20 N -2.97 0.21 -0.09 4.55 3.72 0.14 -5.00 117.46 118.02 2wd3 n PHE 20 Ca -0.04 -3.58 0.26 0.00 -0.05 0.00 0.00 57.45 54.04 2wd3 n PHE 20 Cb 0.74 -0.02 0.72 0.00 -0.94 0.00 0.00 39.48 39.98 2wd3 n PHE 20 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2wd3 h PRO 21 N 5.37 0.00 0.00 -1.08 0.11 -1.67 -0.42 132.00 134.31 2wd3 h PRO 21 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2wd3 h PRO 21 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2wd3 h PRO 21 CO 0.47 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.77 2wd3 n ILE 22 N -4.02 1.30 -0.27 4.15 3.06 -1.26 -2.11 119.36 120.21 2wd3 n ILE 22 Ca 0.15 0.58 0.29 0.00 -2.50 0.00 0.00 62.75 61.27 2wd3 n ILE 22 Cb 0.89 -1.55 0.68 0.00 0.54 0.00 0.00 39.64 40.19 2wd3 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wd3 h ALA 23 N 2.06 2.79 -0.60 1.51 0.00 -1.38 0.24 119.26 123.88 2wd3 h ALA 23 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2wd3 h ALA 23 Cb 0.06 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 2wd3 h ALA 23 CO 0.00 -1.11 0.17 1.63 0.00 0.00 0.00 179.25 179.94 2wd3 n LYS 24 N -4.32 3.45 -0.19 0.00 5.02 -0.90 -4.96 118.16 116.26 2wd3 n LYS 24 Ca 0.23 -3.07 -0.03 0.00 -2.02 0.00 0.00 58.31 53.42 2wd3 n LYS 24 Cb 1.04 -2.11 0.02 0.00 -0.02 0.00 0.00 35.03 33.96 2wd3 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wd3 n GLY 25 N -0.28 -1.34 0.04 0.72 0.00 0.85 -5.00 105.19 100.18 2wd3 n GLY 25 Ca 0.36 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.85 2wd3 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wd3 n GLU 26 N -1.37 0.20 -3.11 1.61 -0.58 -1.26 -4.38 120.64 111.76 2wd3 n GLU 26 Ca 0.02 0.05 -0.17 0.00 -0.42 0.00 0.00 57.16 56.64 2wd3 n GLU 26 Cb 0.06 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.30 2wd3 n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2wd3 n ARG 27 N -1.90 0.99 -3.15 3.49 1.85 -1.26 -4.58 116.66 112.10 2wd3 n ARG 27 Ca 0.04 -3.34 -0.30 0.00 -1.00 0.00 0.00 57.85 53.24 2wd3 n ARG 27 Cb 0.41 -1.63 -0.04 0.00 -1.05 0.00 0.00 32.46 30.14 2wd3 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2wd3 s GLN 28 N -2.49 3.78 0.18 2.89 -1.52 -1.26 -2.87 119.66 118.37 2wd3 s GLN 28 Ca 0.38 0.33 0.08 0.00 -1.95 0.00 0.00 55.36 54.20 2wd3 s GLN 28 Cb 0.36 -2.52 -0.04 0.00 -0.22 0.00 0.00 33.01 30.59 2wd3 s GLN 28 CO -0.06 0.14 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.83 2wd3 s SER 29 N -2.85 2.61 0.99 5.90 0.01 -1.26 -4.63 113.70 114.46 2wd3 s SER 29 Ca 0.49 -0.94 -0.17 0.00 1.31 0.00 0.00 55.95 56.65 2wd3 s SER 29 Cb -0.11 -0.15 0.21 0.00 0.21 0.00 0.00 66.02 66.19 2wd3 s SER 29 CO 0.27 -0.10 1.31 -2.16 0.41 0.00 0.00 173.24 172.97 2wd3 s PRO 30 N -3.21 0.41 0.16 12.44 0.04 -1.26 -4.50 135.00 139.09 2wd3 s PRO 30 Ca 0.19 -0.41 0.03 0.00 0.04 0.00 0.00 61.00 60.85 2wd3 s PRO 30 Cb -0.03 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2wd3 s PRO 30 CO 0.07 -2.57 -0.05 0.14 0.04 0.00 0.00 177.00 174.63 2wd3 s VAL 31 N -3.84 0.95 0.07 -0.36 -7.23 -1.26 -0.03 120.40 108.70 2wd3 s VAL 31 Ca 0.74 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2wd3 s VAL 31 Cb -0.04 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2wd3 s VAL 31 CO 0.53 -0.62 1.05 -0.62 -0.31 0.00 0.00 175.10 175.14 2wd3 s ASP 32 N -3.18 7.31 -0.52 4.85 2.15 -1.26 -2.88 116.67 123.15 2wd3 s ASP 32 Ca 0.20 1.85 -0.18 0.00 0.43 0.00 0.00 52.55 54.85 2wd3 s ASP 32 Cb 0.04 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 40.16 2wd3 s ASP 32 CO 0.02 -0.26 0.58 -0.63 -0.17 0.00 0.00 175.17 174.71 2wd3 s ILE 33 N 0.58 4.96 -0.57 4.11 1.01 0.12 -4.93 121.20 126.49 2wd3 s ILE 33 Ca 0.52 -0.78 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 2wd3 s ILE 33 Cb -0.25 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 37.95 2wd3 s ILE 33 CO 0.30 -0.83 1.05 -0.62 0.00 0.00 0.00 174.94 174.85 2wd3 s ASP 34 N 2.92 6.39 0.43 3.58 -1.08 -1.26 -0.60 116.67 127.04 2wd3 s ASP 34 Ca 0.11 -0.15 0.15 0.00 -0.52 0.00 0.00 52.55 52.14 2wd3 s ASP 34 Cb -0.22 -2.49 0.95 0.00 -1.46 0.00 0.00 42.92 39.71 2wd3 s ASP 34 CO 0.09 -1.34 1.95 0.71 0.52 0.00 0.00 175.17 177.10 2wd3 h THR 35 N 6.08 1.13 0.00 1.71 1.35 -1.95 -1.66 112.91 119.57 2wd3 h THR 35 Ca -0.26 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2wd3 h THR 35 Cb 1.07 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 2wd3 h THR 35 CO 1.13 0.23 -0.06 0.45 -0.25 0.00 0.00 175.52 177.02 2wd3 h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.29 115.15 118.42 2wd3 h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wd3 h HIS 36 Cb 0.42 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2wd3 h HIS 36 CO 0.00 0.00 -1.41 0.25 0.86 0.00 0.00 177.93 177.63 2wd3 n THR 37 N -3.05 0.00 -1.88 2.45 -2.24 -0.85 -4.93 114.28 103.78 2wd3 n THR 37 Ca 0.04 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 2wd3 n THR 37 Cb 0.53 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 2wd3 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wd3 s ALA 38 N -3.20 3.61 -0.26 6.98 0.00 -0.68 -4.86 121.76 123.34 2wd3 s ALA 38 Ca 0.01 1.49 -0.11 0.00 0.00 0.00 0.00 51.96 53.34 2wd3 s ALA 38 Cb 0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2wd3 s ALA 38 CO 0.88 -0.92 0.20 0.21 0.00 0.00 0.00 175.76 176.13 2wd3 s LYS 39 N -1.37 4.02 0.24 0.00 2.47 -0.83 -4.81 119.74 119.46 2wd3 s LYS 39 Ca 0.56 -0.24 -0.31 0.00 -1.56 0.00 0.00 55.97 54.41 2wd3 s LYS 39 Cb -0.45 -3.60 -0.12 0.00 -1.46 0.00 0.00 37.83 32.20 2wd3 s LYS 39 CO 0.54 -0.08 1.69 0.98 0.16 0.00 0.00 175.35 178.64 2wd3 n TYR 40 N 4.73 2.80 -3.98 4.03 9.36 -1.26 -0.42 117.16 132.41 2wd3 n TYR 40 Ca -0.14 0.10 -0.33 0.00 3.32 0.00 0.00 57.90 60.86 2wd3 n TYR 40 Cb 0.52 -2.65 -0.14 0.00 -0.63 0.00 0.00 39.34 36.43 2wd3 n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2wd3 s ASP 41 N 0.97 4.76 0.03 2.98 -1.08 -0.01 -4.83 116.67 119.48 2wd3 s ASP 41 Ca 0.72 -1.77 0.17 0.00 -0.52 0.00 0.00 52.55 51.15 2wd3 s ASP 41 Cb -0.50 -1.65 0.74 0.00 -1.46 0.00 0.00 42.92 40.05 2wd3 s ASP 41 CO 0.37 -0.33 1.55 -0.81 0.52 0.00 0.00 175.17 176.48 2wd3 n PRO 42 N 4.41 0.02 -0.03 4.34 -0.04 -1.26 -2.52 135.00 139.93 2wd3 n PRO 42 Ca -0.05 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2wd3 n PRO 42 Cb 0.42 -1.54 0.55 0.00 -0.04 0.00 0.00 33.50 32.89 2wd3 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wd3 n SER 43 N -1.58 1.07 -4.58 3.54 3.41 -1.26 -4.81 113.62 109.41 2wd3 n SER 43 Ca 0.04 -1.47 -0.43 0.00 -0.26 0.00 0.00 58.87 56.75 2wd3 n SER 43 Cb 0.20 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 2wd3 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wd3 s LEU 44 N -1.79 3.95 0.73 1.04 1.43 -1.05 -5.04 118.68 117.96 2wd3 s LEU 44 Ca 0.36 0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 53.64 2wd3 s LEU 44 Cb 0.19 -3.27 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2wd3 s LEU 44 CO 0.30 -1.00 1.05 0.29 0.23 0.00 0.00 176.35 177.21 2wd3 n LYS 45 N 7.10 0.52 -1.73 1.70 4.76 -1.21 -4.88 118.16 124.43 2wd3 n LYS 45 Ca 0.07 0.24 -0.37 0.00 -2.87 0.00 0.00 58.31 55.38 2wd3 n LYS 45 Cb 0.48 -2.30 0.06 0.00 -1.84 0.00 0.00 35.03 31.44 2wd3 n LYS 45 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2wd3 n PRO 46 N -2.12 1.29 -2.68 1.97 -0.04 -1.26 -1.47 135.00 130.69 2wd3 n PRO 46 Ca 0.13 0.49 -0.41 0.00 -0.04 0.00 0.00 63.50 63.68 2wd3 n PRO 46 Cb 0.49 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.35 2wd3 n PRO 46 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wd3 s LEU 47 N -4.10 4.56 -0.24 1.53 2.96 -1.26 -1.28 118.68 120.85 2wd3 s LEU 47 Ca 0.80 1.94 0.02 0.00 -0.22 0.00 0.00 54.13 56.66 2wd3 s LEU 47 Cb -0.39 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 42.74 2wd3 s LEU 47 CO 0.43 -0.01 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.78 2wd3 s SER 48 N -0.55 4.16 -0.33 3.68 0.15 0.10 -4.86 113.70 116.05 2wd3 s SER 48 Ca 0.45 -1.14 -0.07 0.00 0.70 0.00 0.00 55.95 55.88 2wd3 s SER 48 Cb -0.26 -1.56 0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2wd3 s SER 48 CO 0.32 -0.14 0.11 -0.69 1.20 0.00 0.00 173.24 174.04 2wd3 s VAL 49 N 1.19 3.96 -0.59 4.45 1.01 -1.26 -1.12 120.40 128.02 2wd3 s VAL 49 Ca -0.04 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.00 2wd3 s VAL 49 Cb -0.18 -3.18 0.15 0.00 0.00 0.00 0.00 36.38 33.17 2wd3 s VAL 49 CO -0.06 -0.12 0.36 -0.44 0.00 0.00 0.00 175.10 174.84 2wd3 s SER 50 N 1.45 4.60 -0.01 3.32 0.01 -0.36 -4.89 113.70 117.83 2wd3 s SER 50 Ca 0.00 -3.25 0.12 0.00 1.31 0.00 0.00 55.95 54.13 2wd3 s SER 50 Cb -0.19 -1.67 0.35 0.00 0.21 0.00 0.00 66.02 64.72 2wd3 s SER 50 CO 0.03 -0.20 1.29 -1.22 0.41 0.00 0.00 173.24 173.55 2wd3 n TYR 51 N 2.82 0.54 0.11 2.43 4.01 -1.26 -1.45 117.16 124.36 2wd3 n TYR 51 Ca 0.10 -0.52 0.18 0.00 -0.16 0.00 0.00 57.90 57.50 2wd3 n TYR 51 Cb 0.34 -0.04 0.73 0.00 -0.31 0.00 0.00 39.34 40.06 2wd3 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 2wd3 h ASP 52 N 2.23 0.00 -0.37 7.72 2.03 -1.90 -2.26 116.42 123.87 2wd3 h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wd3 h ASP 52 Cb 0.79 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 2wd3 h ASP 52 CO 0.01 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.22 2wd3 n GLN 53 N -4.14 2.93 -1.67 4.15 1.13 -1.17 -5.02 117.38 113.58 2wd3 n GLN 53 Ca 0.05 -2.29 -0.46 0.00 -1.94 0.00 0.00 57.00 52.37 2wd3 n GLN 53 Cb 0.45 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.33 2wd3 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wd3 n ALA 54 N 0.41 1.43 -4.00 -1.58 0.00 -0.85 -4.63 120.51 111.28 2wd3 n ALA 54 Ca 0.15 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 2wd3 n ALA 54 Cb 0.56 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 2wd3 n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wd3 s THR 55 N 0.77 2.28 0.60 0.00 2.01 -1.26 -4.89 115.64 115.14 2wd3 s THR 55 Ca 0.77 -2.45 -0.16 0.00 0.31 0.00 0.00 61.69 60.15 2wd3 s THR 55 Cb -0.66 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.15 2wd3 s THR 55 CO 0.39 -0.63 1.08 -0.94 -0.69 0.00 0.00 174.62 173.83 2wd3 s SER 56 N 0.76 5.60 0.00 3.53 1.04 -1.26 -0.45 113.70 122.91 2wd3 s SER 56 Ca 0.12 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.46 2wd3 s SER 56 Cb -0.20 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2wd3 s SER 56 CO -0.07 -1.29 0.00 0.18 0.98 0.00 0.00 173.24 173.03 2wd3 n LEU 57 N -2.01 0.38 -3.59 2.42 4.77 0.12 -4.22 117.00 114.87 2wd3 n LEU 57 Ca 0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2wd3 n LEU 57 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2wd3 n LEU 57 CO 0.46 0.00 0.30 -0.60 -1.33 0.00 0.00 177.39 176.23 2wd3 s ARG 58 N -1.98 0.98 -0.01 3.23 3.52 -1.20 -1.70 118.95 121.79 2wd3 s ARG 58 Ca 0.00 -0.02 0.07 0.00 -0.13 0.00 0.00 55.73 55.65 2wd3 s ARG 58 Cb 0.00 0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 2wd3 s ARG 58 CO 0.00 -0.32 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.44 2wd3 s ILE 59 N -1.72 1.82 -0.10 4.11 2.07 0.04 -0.52 121.20 126.90 2wd3 s ILE 59 Ca -0.09 -1.04 -0.14 0.00 -1.41 0.00 0.00 60.65 57.97 2wd3 s ILE 59 Cb -0.01 -1.52 0.03 0.00 0.13 0.00 0.00 42.46 41.09 2wd3 s ILE 59 CO 0.04 0.47 0.36 -1.48 -1.91 0.00 0.00 174.94 172.42 2wd3 s LEU 60 N -0.67 0.63 -0.40 8.50 0.05 0.01 -0.35 118.68 126.45 2wd3 s LEU 60 Ca 0.09 0.54 -0.17 0.00 0.05 0.00 0.00 54.13 54.64 2wd3 s LEU 60 Cb -0.09 1.31 0.01 0.00 -2.05 0.00 0.00 46.19 45.38 2wd3 s LEU 60 CO -0.00 -0.25 0.41 0.21 -0.55 0.00 0.00 176.35 176.17 2wd3 s ASN 61 N -0.33 6.19 -0.09 1.48 3.84 -0.26 0.07 114.94 125.84 2wd3 s ASN 61 Ca -0.05 -0.57 0.19 0.00 0.21 0.00 0.00 52.86 52.64 2wd3 s ASN 61 Cb -0.03 -2.21 0.69 0.00 -0.55 0.00 0.00 41.25 39.14 2wd3 s ASN 61 CO 0.02 -0.52 1.59 -0.46 -2.79 0.00 0.00 177.10 174.94 2wd3 n ASN 62 N 5.53 4.46 0.00 -4.21 0.23 -1.04 -0.48 115.26 119.74 2wd3 n ASN 62 Ca -0.08 -2.33 0.00 0.00 -0.53 0.00 0.00 54.58 51.64 2wd3 n ASN 62 Cb 0.48 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 2wd3 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wd3 n GLY 63 N 1.24 1.89 0.00 4.83 0.00 -1.26 -4.79 105.19 107.10 2wd3 n GLY 63 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 2wd3 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wd3 n HIS 64 N -2.00 0.00 -3.90 1.61 8.25 -1.26 -4.74 115.22 113.18 2wd3 n HIS 64 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2wd3 n HIS 64 Cb 0.00 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.11 2wd3 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wd3 n ALA 65 N -1.96 -2.68 -2.76 -1.41 0.00 -1.26 -4.88 120.51 105.57 2wd3 n ALA 65 Ca -0.01 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.11 2wd3 n ALA 65 Cb 0.46 0.57 -0.07 0.00 0.00 0.00 0.00 19.45 20.41 2wd3 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2wd3 s PHE 66 N -2.13 3.15 -0.07 0.00 -0.12 -1.26 -2.50 117.98 115.05 2wd3 s PHE 66 Ca 0.23 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.17 2wd3 s PHE 66 Cb -0.03 -1.60 0.02 0.00 -0.63 0.00 0.00 43.02 40.79 2wd3 s PHE 66 CO 0.05 0.51 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.88 2wd3 s ASN 67 N -2.41 1.55 -0.29 1.98 0.01 0.11 -4.05 114.94 111.84 2wd3 s ASN 67 Ca 0.29 -0.20 -0.11 0.00 -0.71 0.00 0.00 52.86 52.12 2wd3 s ASN 67 Cb -0.12 -0.63 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 2wd3 s ASN 67 CO 0.21 -0.07 0.19 -0.69 -1.51 0.00 0.00 177.10 175.23 2wd3 s VAL 68 N 1.23 5.19 -0.09 1.60 1.01 0.20 -0.81 120.40 128.74 2wd3 s VAL 68 Ca -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 2wd3 s VAL 68 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2wd3 s VAL 68 CO -0.02 0.19 0.13 -1.61 0.00 0.00 0.00 175.10 173.80 2wd3 s GLU 69 N 1.73 3.38 0.17 2.72 0.41 0.32 -1.09 118.70 126.35 2wd3 s GLU 69 Ca 0.07 -0.21 0.10 0.00 -0.41 0.00 0.00 54.97 54.51 2wd3 s GLU 69 Cb -0.16 -3.12 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 2wd3 s GLU 69 CO 0.10 0.74 -0.17 -0.06 -0.49 0.00 0.00 175.26 175.39 2wd3 s PHE 70 N -1.09 2.50 -0.41 1.61 0.40 -0.23 0.11 117.98 120.88 2wd3 s PHE 70 Ca 0.18 -0.28 -0.29 0.00 -0.60 0.00 0.00 56.93 55.95 2wd3 s PHE 70 Cb -0.12 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.15 2wd3 s PHE 70 CO 0.08 0.47 1.51 0.34 0.70 0.00 0.00 175.22 178.32 2wd3 s ASP 71 N -2.58 6.20 -0.29 1.36 -1.08 0.40 -4.84 116.67 115.83 2wd3 s ASP 71 Ca 0.22 0.90 0.09 0.00 -0.52 0.00 0.00 52.55 53.23 2wd3 s ASP 71 Cb -0.09 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.32 2wd3 s ASP 71 CO 0.12 -1.53 1.42 -0.90 0.52 0.00 0.00 175.17 174.80 2wd3 n ASP 72 N 9.29 2.63 0.03 -0.34 5.75 -1.26 -4.62 116.55 128.03 2wd3 n ASP 72 Ca 0.18 -3.82 0.14 0.00 -0.01 0.00 0.00 54.79 51.28 2wd3 n ASP 72 Cb 0.48 -0.61 0.53 0.00 -1.03 0.00 0.00 41.12 40.49 2wd3 n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2wd3 n SER 73 N -1.09 0.28 -4.19 -1.12 3.41 -1.26 -4.83 113.62 104.81 2wd3 n SER 73 Ca 0.33 0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 59.30 2wd3 n SER 73 Cb 0.97 -0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 2wd3 n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wd3 s GLN 74 N -3.03 1.09 -1.21 4.33 -0.21 -1.26 -5.06 119.66 114.30 2wd3 s GLN 74 Ca 0.13 -1.55 -0.14 0.00 0.02 0.00 0.00 55.36 53.82 2wd3 s GLN 74 Cb 0.17 0.18 -0.06 0.00 1.00 0.00 0.00 33.01 34.30 2wd3 s GLN 74 CO 0.56 -0.31 2.28 -0.25 -2.12 0.00 0.00 175.29 175.46 2wd3 n ASP 75 N -0.21 4.73 -0.01 5.90 8.00 -1.26 -4.61 116.55 129.10 2wd3 n ASP 75 Ca -0.02 -2.64 -0.10 0.00 0.71 0.00 0.00 54.79 52.74 2wd3 n ASP 75 Cb 0.65 -1.39 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 2wd3 n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2wd3 h LYS 76 N 6.35 0.04 -2.77 -1.24 1.57 -1.87 -3.45 116.57 115.20 2wd3 h LYS 76 Ca 0.58 -0.07 -0.31 0.00 -1.87 0.00 0.00 60.65 58.99 2wd3 h LYS 76 Cb 0.48 0.02 -0.36 0.00 0.08 0.00 0.00 32.23 32.46 2wd3 h LYS 76 CO 1.80 0.64 -0.62 0.00 -0.57 0.00 0.00 179.45 180.70 2wd3 s ALA 77 N -2.61 -0.23 0.07 3.86 0.00 -1.26 -3.07 121.76 118.52 2wd3 s ALA 77 Ca -0.06 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2wd3 s ALA 77 Cb 0.08 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 2wd3 s ALA 77 CO 0.82 -0.94 -0.06 0.14 0.00 0.00 0.00 175.76 175.72 2wd3 s VAL 78 N 2.32 0.54 -0.09 0.00 -7.23 -0.53 -0.90 120.40 114.51 2wd3 s VAL 78 Ca 0.05 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 2wd3 s VAL 78 Cb -0.14 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 2wd3 s VAL 78 CO -0.10 -0.70 -0.18 -0.22 -0.31 0.00 0.00 175.10 173.59 2wd3 s LEU 79 N -2.44 2.48 0.25 1.32 2.96 0.72 -1.22 118.68 122.75 2wd3 s LEU 79 Ca 0.02 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2wd3 s LEU 79 Cb -0.00 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 2wd3 s LEU 79 CO -0.03 0.22 0.32 -0.54 -1.32 0.00 0.00 176.35 175.00 2wd3 s LYS 80 N 0.02 1.48 2.42 1.98 1.02 -0.28 -1.49 119.74 124.89 2wd3 s LYS 80 Ca -0.06 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.39 2wd3 s LYS 80 Cb -0.15 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 2wd3 s LYS 80 CO 0.05 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 2wd3 n GLY 81 N -0.38 -0.75 7.00 -3.33 0.00 -1.26 0.01 105.19 106.47 2wd3 n GLY 81 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2wd3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wd3 n GLY 82 N 0.00 3.45 0.32 -0.02 0.00 -0.40 -0.97 105.19 107.57 2wd3 n GLY 82 Ca 0.00 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.23 2wd3 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wd3 n PRO 83 N 14.00 1.41 -3.20 1.61 -0.04 -1.26 -3.29 135.00 144.23 2wd3 n PRO 83 Ca 0.00 -0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 62.46 2wd3 n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 2wd3 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wd3 s LEU 84 N -2.04 4.27 -0.21 1.53 1.43 -0.14 -5.06 118.68 118.46 2wd3 s LEU 84 Ca 0.40 1.26 -0.06 0.00 -1.03 0.00 0.00 54.13 54.70 2wd3 s LEU 84 Cb 0.21 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 2wd3 s LEU 84 CO 0.36 -0.01 0.02 -1.81 0.23 0.00 0.00 176.35 175.14 2wd3 s ASP 85 N -1.85 4.97 0.00 2.29 1.01 -1.26 -4.25 116.67 117.59 2wd3 s ASP 85 Ca 0.44 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.53 2wd3 s ASP 85 Cb -0.14 -1.86 0.00 0.00 1.01 0.00 0.00 42.92 41.93 2wd3 s ASP 85 CO 0.20 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.25 2wd3 n GLY 86 N 4.26 -0.92 3.20 0.21 0.00 -1.26 -4.91 105.19 105.77 2wd3 n GLY 86 Ca -0.17 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.18 2wd3 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wd3 s THR 87 N 0.00 2.00 -0.17 2.61 2.01 -1.26 -4.51 115.64 116.31 2wd3 s THR 87 Ca 0.00 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 2wd3 s THR 87 Cb 0.00 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.78 2wd3 s THR 87 CO 0.00 0.54 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.02 2wd3 s TYR 88 N 0.43 2.81 -0.15 4.92 1.51 -0.56 -1.49 117.35 124.82 2wd3 s TYR 88 Ca -0.17 -1.13 -0.18 0.00 -1.01 0.00 0.00 57.07 54.59 2wd3 s TYR 88 Cb -0.18 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 2wd3 s TYR 88 CO 0.07 -0.54 0.47 0.50 -1.11 0.00 0.00 175.55 174.94 2wd3 s ARG 89 N 1.01 4.28 0.11 -0.62 3.52 0.37 -0.20 118.95 127.42 2wd3 s ARG 89 Ca -0.02 0.39 -0.31 0.00 -0.13 0.00 0.00 55.73 55.67 2wd3 s ARG 89 Cb -0.15 -3.48 -0.10 0.00 -1.56 0.00 0.00 34.95 29.67 2wd3 s ARG 89 CO -0.03 0.07 1.83 -1.17 -0.81 0.00 0.00 175.30 175.18 2wd3 s LEU 90 N 0.94 4.40 -0.14 -0.88 2.96 -0.08 -1.44 118.68 124.44 2wd3 s LEU 90 Ca 0.24 2.72 0.04 0.00 -0.22 0.00 0.00 54.13 56.92 2wd3 s LEU 90 Cb -0.15 -3.56 -0.12 0.00 0.50 0.00 0.00 46.19 42.86 2wd3 s LEU 90 CO 0.09 -1.00 -0.08 0.00 -1.32 0.00 0.00 176.35 174.05 2wd3 n ILE 91 N 4.82 0.86 -3.70 6.68 3.06 -0.29 -4.56 119.36 126.24 2wd3 n ILE 91 Ca 0.18 -0.40 -0.02 0.00 -2.50 0.00 0.00 62.75 60.01 2wd3 n ILE 91 Cb 0.39 -0.92 -0.01 0.00 0.54 0.00 0.00 39.64 39.64 2wd3 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wd3 s GLN 92 N -2.30 0.89 0.09 9.51 1.03 -1.23 -1.06 119.66 126.59 2wd3 s GLN 92 Ca -0.16 -0.49 0.03 0.00 0.04 0.00 0.00 55.36 54.79 2wd3 s GLN 92 Cb 0.05 0.31 -0.04 0.00 0.03 0.00 0.00 33.01 33.36 2wd3 s GLN 92 CO 0.40 -0.41 -0.09 -0.59 -2.54 0.00 0.00 175.29 172.06 2wd3 s PHE 93 N -2.97 1.00 0.34 9.60 -0.12 -0.25 -0.73 117.98 124.86 2wd3 s PHE 93 Ca 0.13 -0.70 -0.07 0.00 -0.05 0.00 0.00 56.93 56.24 2wd3 s PHE 93 Cb 0.01 -0.56 0.01 0.00 -0.63 0.00 0.00 43.02 41.86 2wd3 s PHE 93 CO -0.00 -0.03 0.54 -3.38 -0.05 0.00 0.00 175.22 172.30 2wd3 s HIS 94 N -2.61 0.76 0.18 3.49 -3.43 -0.76 -0.63 115.29 112.28 2wd3 s HIS 94 Ca 0.06 -1.10 0.05 0.00 -0.80 0.00 0.00 55.06 53.27 2wd3 s HIS 94 Cb -0.02 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 31.24 2wd3 s HIS 94 CO -0.01 -1.20 -0.08 -0.06 -2.00 0.00 0.00 174.74 171.39 2wd3 s PHE 95 N -3.06 1.43 0.00 0.38 0.40 -1.26 -0.80 117.98 115.07 2wd3 s PHE 95 Ca 0.26 -0.77 0.06 0.00 -0.60 0.00 0.00 56.93 55.88 2wd3 s PHE 95 Cb -0.01 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 2wd3 s PHE 95 CO 0.17 0.10 -0.19 -1.01 0.70 0.00 0.00 175.22 174.98 2wd3 s HIS 96 N -3.29 1.68 0.25 0.36 3.76 -0.21 -4.68 115.29 113.17 2wd3 s HIS 96 Ca 0.21 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.66 2wd3 s HIS 96 Cb 0.03 -1.06 -0.00 0.00 1.11 0.00 0.00 32.58 32.66 2wd3 s HIS 96 CO 0.04 0.00 0.50 1.67 -0.85 0.00 0.00 174.74 176.10 2wd3 s TRP 97 N -0.55 0.36 0.56 1.40 -2.14 -1.19 -0.97 118.94 116.41 2wd3 s TRP 97 Ca 0.07 -0.72 0.07 0.00 2.66 0.00 0.00 56.10 58.17 2wd3 s TRP 97 Cb -0.08 0.22 0.05 0.00 -3.10 0.00 0.00 33.47 30.56 2wd3 s TRP 97 CO -0.00 -1.02 0.51 0.20 -2.66 0.00 0.00 176.95 173.98 2wd3 s GLY 98 N -3.02 2.20 0.24 3.67 0.00 -1.13 -1.05 107.32 108.23 2wd3 s GLY 98 Ca 0.22 -1.49 0.23 0.00 0.00 0.00 0.00 44.72 43.69 2wd3 s GLY 98 CO 0.09 -1.88 1.26 1.48 0.00 0.00 0.00 173.10 174.05 2wd3 h SER 99 N 0.59 0.00 -5.25 1.64 4.64 -1.89 -3.38 113.55 109.90 2wd3 h SER 99 Ca -0.35 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 60.76 2wd3 h SER 99 Cb 1.30 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 2wd3 h SER 99 CO 0.53 0.02 -0.66 -0.76 -0.87 0.00 0.00 176.83 175.08 2wd3 s LEU 100 N -5.29 2.11 0.51 5.97 1.43 -1.26 -5.07 118.68 117.08 2wd3 s LEU 100 Ca 0.03 -1.11 0.29 0.00 -1.03 0.00 0.00 54.13 52.30 2wd3 s LEU 100 Cb 0.09 0.21 1.31 0.00 0.03 0.00 0.00 46.19 47.84 2wd3 s LEU 100 CO 0.74 -0.65 1.98 0.44 0.23 0.00 0.00 176.35 179.09 2wd3 h ASP 101 N 2.97 0.00 0.00 2.29 3.32 -1.92 -2.93 116.42 120.15 2wd3 h ASP 101 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wd3 h ASP 101 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2wd3 h ASP 101 CO 0.62 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 2wd3 n GLY 102 N -0.24 -0.89 3.32 2.75 0.00 -1.26 -3.22 105.19 105.65 2wd3 n GLY 102 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2wd3 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wd3 s GLN 103 N -2.00 1.06 0.00 1.61 -2.07 -1.11 -4.61 119.66 112.54 2wd3 s GLN 103 Ca 0.32 -0.85 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 2wd3 s GLN 103 Cb 0.15 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 2wd3 s GLN 103 CO 0.25 -0.40 0.00 0.41 -1.32 0.00 0.00 175.29 174.23 2wd3 n GLY 104 N -0.20 1.66 3.82 2.60 0.00 -1.04 -2.99 105.19 109.04 2wd3 n GLY 104 Ca -0.14 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2wd3 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wd3 s SER 105 N 0.00 5.75 -0.20 1.61 1.04 -0.49 -3.15 113.70 118.25 2wd3 s SER 105 Ca 0.00 1.69 -0.16 0.00 0.48 0.00 0.00 55.95 57.96 2wd3 s SER 105 Cb 0.00 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 2wd3 s SER 105 CO 0.00 -1.19 -0.23 -0.62 0.98 0.00 0.00 173.24 172.18 2wd3 n GLU 106 N -2.46 0.53 -2.17 4.02 1.02 -1.26 -4.82 120.64 115.51 2wd3 n GLU 106 Ca 0.08 0.35 -0.35 0.00 -0.02 0.00 0.00 57.16 57.22 2wd3 n GLU 106 Cb 0.53 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 2wd3 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2wd3 s HIS 107 N -2.58 2.59 0.20 -0.32 3.76 -1.26 -4.23 115.29 113.46 2wd3 s HIS 107 Ca -0.28 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.26 2wd3 s HIS 107 Cb 0.07 -3.33 -0.05 0.00 1.11 0.00 0.00 32.58 30.38 2wd3 s HIS 107 CO 0.42 -1.75 -0.18 0.95 -0.85 0.00 0.00 174.74 173.34 2wd3 s THR 108 N -1.75 1.98 -0.23 1.30 -4.23 -1.14 -4.68 115.64 106.89 2wd3 s THR 108 Ca 0.74 -2.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 2wd3 s THR 108 Cb -0.25 -2.03 0.05 0.00 1.34 0.00 0.00 72.50 71.61 2wd3 s THR 108 CO 0.29 -0.41 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.18 2wd3 s VAL 109 N -2.41 1.81 -1.50 2.29 1.01 -0.85 0.15 120.40 120.91 2wd3 s VAL 109 Ca 0.21 -1.28 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 2wd3 s VAL 109 Cb -0.04 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2wd3 s VAL 109 CO 0.09 0.04 0.41 0.47 0.00 0.00 0.00 175.10 176.11 2wd3 n ASP 110 N 4.59 -0.65 0.00 3.32 8.00 0.23 -1.11 116.55 130.93 2wd3 n ASP 110 Ca -0.14 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.30 2wd3 n ASP 110 Cb 0.44 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.84 2wd3 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2wd3 n LYS 111 N -4.43 0.00 -2.30 -1.24 4.76 -1.26 -4.99 118.16 108.70 2wd3 n LYS 111 Ca -0.24 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.78 2wd3 n LYS 111 Cb 0.65 -3.10 -0.03 0.00 -1.84 0.00 0.00 35.03 30.71 2wd3 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2wd3 s LYS 112 N -0.28 4.36 -0.12 1.97 2.20 -0.27 -5.00 119.74 122.60 2wd3 s LYS 112 Ca 0.00 1.91 -0.10 0.00 -0.36 0.00 0.00 55.97 57.42 2wd3 s LYS 112 Cb 0.00 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2wd3 s LYS 112 CO 0.00 -0.38 0.21 0.15 -0.36 0.00 0.00 175.35 174.97 2wd3 s LYS 113 N 1.34 3.84 0.56 4.03 1.02 -1.26 -2.00 119.74 127.28 2wd3 s LYS 113 Ca 0.62 -0.01 0.01 0.00 0.02 0.00 0.00 55.97 56.60 2wd3 s LYS 113 Cb -0.32 -3.29 0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2wd3 s LYS 113 CO 0.29 0.56 0.79 0.71 -0.92 0.00 0.00 175.35 176.78 2wd3 s TYR 114 N -0.44 2.85 0.22 3.18 1.51 -1.26 -4.61 117.35 118.79 2wd3 s TYR 114 Ca 0.15 0.02 0.21 0.00 -1.01 0.00 0.00 57.07 56.44 2wd3 s TYR 114 Cb -0.13 -2.79 0.87 0.00 -0.11 0.00 0.00 41.96 39.80 2wd3 s TYR 114 CO 0.04 -0.92 1.82 0.00 -1.11 0.00 0.00 175.55 175.38 2wd3 h ALA 115 N 0.02 1.08 -2.64 3.71 0.00 -1.28 -1.23 119.26 118.91 2wd3 h ALA 115 Ca -0.42 -0.27 0.13 0.00 0.00 0.00 0.00 54.91 54.35 2wd3 h ALA 115 Cb 1.30 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 2wd3 h ALA 115 CO 0.53 0.37 0.38 0.00 0.00 0.00 0.00 179.25 180.52 2wd3 s ALA 116 N -3.77 -1.43 -0.11 0.00 0.00 -1.10 -2.82 121.76 112.52 2wd3 s ALA 116 Ca -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 2wd3 s ALA 116 Cb 0.11 0.73 0.05 0.00 0.00 0.00 0.00 23.12 24.01 2wd3 s ALA 116 CO 0.66 -1.04 0.24 -2.00 0.00 0.00 0.00 175.76 173.62 2wd3 s GLU 117 N -3.44 0.19 -0.09 0.00 2.12 -0.14 -1.12 118.70 116.21 2wd3 s GLU 117 Ca 0.12 0.55 -0.16 0.00 0.36 0.00 0.00 54.97 55.84 2wd3 s GLU 117 Cb -0.03 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 2wd3 s GLU 117 CO 0.05 -0.18 0.42 -1.17 -0.54 0.00 0.00 175.26 173.84 2wd3 s LEU 118 N 1.39 4.32 -0.23 2.70 2.96 0.13 -1.04 118.68 128.91 2wd3 s LEU 118 Ca -0.08 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 2wd3 s LEU 118 Cb -0.11 -2.60 0.05 0.00 0.50 0.00 0.00 46.19 44.02 2wd3 s LEU 118 CO -0.08 0.11 -0.14 -1.00 -1.32 0.00 0.00 176.35 173.91 2wd3 s HIS 119 N 0.13 3.09 -0.35 5.38 3.76 0.02 -0.97 115.29 126.35 2wd3 s HIS 119 Ca 0.23 -2.07 -0.15 0.00 -0.15 0.00 0.00 55.06 52.92 2wd3 s HIS 119 Cb -0.15 -1.93 -0.01 0.00 1.11 0.00 0.00 32.58 31.60 2wd3 s HIS 119 CO 0.10 -0.85 0.35 -0.51 -0.85 0.00 0.00 174.74 172.98 2wd3 s LEU 120 N 1.17 4.53 -0.17 0.89 1.43 -0.24 -1.84 118.68 124.46 2wd3 s LEU 120 Ca -0.04 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 2wd3 s LEU 120 Cb -0.17 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 2wd3 s LEU 120 CO -0.08 -0.36 0.20 -0.69 0.23 0.00 0.00 176.35 175.65 2wd3 s VAL 121 N 1.98 5.37 0.03 -1.59 1.01 0.10 -1.13 120.40 126.16 2wd3 s VAL 121 Ca 0.11 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.47 2wd3 s VAL 121 Cb -0.17 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2wd3 s VAL 121 CO 0.12 0.44 -0.09 -1.00 0.00 0.00 0.00 175.10 174.57 2wd3 s HIS 122 N 0.20 0.81 0.04 5.22 3.76 -0.42 -1.14 115.29 123.77 2wd3 s HIS 122 Ca 0.13 -0.34 0.08 0.00 -0.15 0.00 0.00 55.06 54.77 2wd3 s HIS 122 Cb -0.12 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 2wd3 s HIS 122 CO 0.01 -0.02 -0.21 1.67 -0.85 0.00 0.00 174.74 175.34 2wd3 s TRP 123 N -0.87 2.47 -0.24 1.40 1.48 -0.52 -1.01 118.94 121.65 2wd3 s TRP 123 Ca -0.03 -0.32 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 2wd3 s TRP 123 Cb -0.07 -1.43 -0.03 0.00 -1.16 0.00 0.00 33.47 30.77 2wd3 s TRP 123 CO 0.01 0.21 1.79 1.21 -4.06 0.00 0.00 176.95 176.11 2wd3 s ASN 124 N -1.37 6.08 0.26 -2.66 3.84 0.38 -0.48 114.94 120.98 2wd3 s ASN 124 Ca 0.13 1.62 -0.02 0.00 0.21 0.00 0.00 52.86 54.80 2wd3 s ASN 124 Cb -0.10 -2.53 0.52 0.00 -0.55 0.00 0.00 41.25 38.59 2wd3 s ASN 124 CO 0.04 -1.50 1.72 0.71 -2.79 0.00 0.00 177.10 175.27 2wd3 h THR 125 N 6.49 0.60 -1.78 -5.21 1.35 -1.61 -1.48 112.91 111.27 2wd3 h THR 125 Ca -0.36 -0.14 0.54 0.00 -0.55 0.00 0.00 66.41 65.90 2wd3 h THR 125 Cb 1.18 0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.64 2wd3 h THR 125 CO 1.00 0.08 1.25 2.29 -0.25 0.00 0.00 175.52 179.88 2wd3 n LYS 126 N -5.03 -0.01 -0.02 4.72 2.85 -1.26 0.17 118.16 119.58 2wd3 n LYS 126 Ca 0.16 1.13 0.13 0.00 -1.05 0.00 0.00 58.31 58.68 2wd3 n LYS 126 Cb 0.48 -2.48 0.42 0.00 -0.65 0.00 0.00 35.03 32.79 2wd3 n LYS 126 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2wd3 n TYR 127 N -4.16 0.06 0.00 5.58 4.01 -0.56 -4.97 117.16 117.12 2wd3 n TYR 127 Ca 0.43 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 58.14 2wd3 n TYR 127 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.90 2wd3 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wd3 n GLY 128 N 1.21 0.99 3.34 2.72 0.00 0.46 -4.50 105.19 109.41 2wd3 n GLY 128 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.10 2wd3 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wd3 s ASP 129 N 0.00 -0.05 0.21 1.61 1.47 -1.26 -5.04 116.67 113.61 2wd3 s ASP 129 Ca 0.00 -0.65 -0.10 0.00 1.18 0.00 0.00 52.55 52.98 2wd3 s ASP 129 Cb 0.00 0.45 0.15 0.00 -0.34 0.00 0.00 42.92 43.18 2wd3 s ASP 129 CO 0.00 -0.88 1.84 0.15 0.68 0.00 0.00 175.17 176.95 2wd3 h PHE 130 N 2.49 1.03 -0.61 2.11 3.57 -1.94 -1.11 116.94 122.48 2wd3 h PHE 130 Ca -0.32 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 2wd3 h PHE 130 Cb 1.23 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2wd3 h PHE 130 CO 0.38 0.71 0.28 0.78 -2.23 0.00 0.00 178.31 178.23 2wd3 h GLY 131 N 1.05 0.92 1.22 2.40 0.00 -1.97 -1.54 103.07 105.15 2wd3 h GLY 131 Ca 0.27 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.93 2wd3 h GLY 131 CO -0.05 0.42 -0.84 0.50 0.00 0.00 0.00 176.54 176.57 2wd3 h LYS 132 N 0.86 0.75 -0.85 4.80 1.79 -1.76 -3.31 116.57 118.85 2wd3 h LYS 132 Ca 0.21 -0.66 0.02 0.00 -2.18 0.00 0.00 60.65 58.04 2wd3 h LYS 132 Cb 0.10 0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 30.86 2wd3 h LYS 132 CO -0.03 1.26 0.56 0.00 -1.08 0.00 0.00 179.45 180.16 2wd3 h ALA 133 N 0.54 1.10 0.00 3.86 0.00 -0.55 -2.48 119.26 121.74 2wd3 h ALA 133 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wd3 h ALA 133 Cb 1.47 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2wd3 h ALA 133 CO 0.17 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.19 2wd3 n VAL 134 N -4.52 1.04 0.94 0.00 0.24 -0.64 -1.11 118.33 114.28 2wd3 n VAL 134 Ca 0.10 0.30 0.06 0.00 -2.04 0.00 0.00 64.34 62.75 2wd3 n VAL 134 Cb 0.05 -1.14 0.18 0.00 -1.47 0.00 0.00 33.84 31.45 2wd3 n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wd3 n GLN 135 N -1.78 1.79 -4.86 7.34 6.02 -0.93 -4.68 117.38 120.28 2wd3 n GLN 135 Ca 0.02 -1.22 -0.28 0.00 -0.01 0.00 0.00 57.00 55.51 2wd3 n GLN 135 Cb 0.17 -1.28 -0.15 0.00 1.02 0.00 0.00 30.24 29.99 2wd3 n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2wd3 s GLN 136 N -1.57 1.66 0.51 -1.09 -1.52 -0.27 -5.03 119.66 112.37 2wd3 s GLN 136 Ca 0.24 -0.99 0.28 0.00 -1.95 0.00 0.00 55.36 52.94 2wd3 s GLN 136 Cb 0.13 -1.77 1.39 0.00 -0.22 0.00 0.00 33.01 32.54 2wd3 s GLN 136 CO 0.17 0.46 2.04 -1.00 -0.25 0.00 0.00 175.29 176.71 2wd3 h PRO 137 N 4.98 0.00 -0.69 2.91 0.13 -1.85 -2.03 132.00 135.46 2wd3 h PRO 137 Ca -0.44 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 2wd3 h PRO 137 Cb 1.15 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.96 2wd3 h PRO 137 CO 0.44 0.13 -0.29 -0.40 -0.23 0.00 0.00 178.00 177.66 2wd3 n ASP 138 N -3.55 4.88 0.05 1.44 5.75 -1.26 -4.13 116.55 119.74 2wd3 n ASP 138 Ca -0.01 -3.78 -0.17 0.00 -0.01 0.00 0.00 54.79 50.82 2wd3 n ASP 138 Cb 0.27 -0.55 -0.07 0.00 -1.03 0.00 0.00 41.12 39.74 2wd3 n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2wd3 h GLY 139 N 1.85 0.62 -3.53 6.12 0.00 -1.00 -3.43 103.07 103.70 2wd3 h GLY 139 Ca 0.38 -1.08 -0.58 0.00 0.00 0.00 0.00 47.33 46.04 2wd3 h GLY 139 CO 0.83 0.96 -0.81 1.08 0.00 0.00 0.00 176.54 178.60 2wd3 s LEU 140 N -7.93 2.39 -0.10 3.11 1.43 0.62 -0.47 118.68 117.73 2wd3 s LEU 140 Ca -0.08 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2wd3 s LEU 140 Cb 0.08 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.35 2wd3 s LEU 140 CO 0.89 0.05 -0.10 0.00 0.23 0.00 0.00 176.35 177.42 2wd3 s ALA 141 N -1.64 1.42 -0.18 4.21 0.00 -0.18 -0.44 121.76 124.95 2wd3 s ALA 141 Ca 0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2wd3 s ALA 141 Cb -0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2wd3 s ALA 141 CO 0.07 -0.24 -0.11 0.08 0.00 0.00 0.00 175.76 175.57 2wd3 s VAL 142 N 1.33 3.01 -0.35 0.00 1.01 -0.98 -1.30 120.40 123.11 2wd3 s VAL 142 Ca -0.01 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.13 2wd3 s VAL 142 Cb -0.14 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2wd3 s VAL 142 CO -0.05 0.48 0.59 -0.22 0.00 0.00 0.00 175.10 175.91 2wd3 s LEU 143 N 1.00 4.28 -0.13 3.92 2.96 -0.28 -1.50 118.68 128.92 2wd3 s LEU 143 Ca -0.01 0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 2wd3 s LEU 143 Cb -0.15 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2wd3 s LEU 143 CO -0.01 -0.55 0.08 -0.83 -1.32 0.00 0.00 176.35 173.71 2wd3 s GLY 144 N 1.77 1.99 -0.06 7.98 0.00 0.38 -1.07 107.32 118.32 2wd3 s GLY 144 Ca 0.22 -0.72 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 2wd3 s GLY 144 CO 0.14 -0.26 -0.02 -0.42 0.00 0.00 0.00 173.10 172.54 2wd3 s ILE 145 N -0.47 0.45 0.36 0.90 1.01 -0.14 -1.03 121.20 122.27 2wd3 s ILE 145 Ca 0.10 -0.01 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 2wd3 s ILE 145 Cb -0.12 -0.53 -0.09 0.00 0.01 0.00 0.00 42.46 41.72 2wd3 s ILE 145 CO 0.02 0.23 1.02 -0.36 0.00 0.00 0.00 174.94 175.85 2wd3 s PHE 146 N 1.37 3.44 -0.12 3.97 0.08 -1.26 0.18 117.98 125.64 2wd3 s PHE 146 Ca -0.04 1.69 0.01 0.00 0.12 0.00 0.00 56.93 58.71 2wd3 s PHE 146 Cb -0.13 -3.07 -0.02 0.00 -0.57 0.00 0.00 43.02 39.23 2wd3 s PHE 146 CO -0.02 -0.34 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.11 2wd3 s LEU 147 N -2.32 2.70 0.26 -0.37 1.02 -0.28 -0.75 118.68 118.95 2wd3 s LEU 147 Ca 0.54 -0.32 0.10 0.00 0.02 0.00 0.00 54.13 54.48 2wd3 s LEU 147 Cb -0.22 -1.60 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 2wd3 s LEU 147 CO 0.28 0.19 -0.09 -1.59 0.02 0.00 0.00 176.35 175.16 2wd3 s LYS 148 N 0.19 2.04 -0.21 1.70 -2.85 -0.22 -1.65 119.74 118.74 2wd3 s LYS 148 Ca -0.08 -1.54 -0.14 0.00 -1.00 0.00 0.00 55.97 53.21 2wd3 s LYS 148 Cb -0.15 -2.01 -0.04 0.00 -2.06 0.00 0.00 37.83 33.56 2wd3 s LYS 148 CO 0.05 0.36 0.31 0.08 0.10 0.00 0.00 175.35 176.24 2wd3 s VAL 149 N -2.34 5.27 0.00 1.79 1.01 -1.26 -0.63 120.40 124.24 2wd3 s VAL 149 Ca 0.30 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2wd3 s VAL 149 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.68 2wd3 s VAL 149 CO 0.18 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2wd3 n GLY 150 N 3.94 0.44 3.79 4.51 0.00 0.62 -4.90 105.19 113.59 2wd3 n GLY 150 Ca -0.11 0.49 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 2wd3 n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wd3 s SER 151 N 2.00 5.75 0.58 1.61 1.04 -1.26 -4.08 113.70 119.34 2wd3 s SER 151 Ca 0.00 1.96 -0.19 0.00 0.48 0.00 0.00 55.95 58.21 2wd3 s SER 151 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2wd3 s SER 151 CO 0.00 -1.19 1.17 0.00 0.98 0.00 0.00 173.24 174.20 2wd3 s ALA 152 N -2.17 2.59 -0.48 5.32 0.00 -1.26 -2.59 121.76 123.18 2wd3 s ALA 152 Ca 0.67 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 2wd3 s ALA 152 Cb -0.19 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2wd3 s ALA 152 CO 0.32 -1.02 0.42 0.21 0.00 0.00 0.00 175.76 175.69 2wd3 s LYS 153 N -3.37 3.00 0.33 0.00 2.47 -1.20 -4.80 119.74 116.16 2wd3 s LYS 153 Ca 0.75 -1.30 0.03 0.00 -1.56 0.00 0.00 55.97 53.88 2wd3 s LYS 153 Cb -0.27 -4.13 0.63 0.00 -1.46 0.00 0.00 37.83 32.60 2wd3 s LYS 153 CO 0.31 -1.06 1.94 -1.35 0.16 0.00 0.00 175.35 175.36 2wd3 h PRO 154 N 8.78 0.87 0.00 4.03 0.11 -1.91 -0.42 132.00 143.47 2wd3 h PRO 154 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2wd3 h PRO 154 Cb 1.11 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2wd3 h PRO 154 CO 0.89 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.67 2wd3 n GLY 155 N -1.42 -1.12 0.11 -0.55 0.00 -1.26 -2.09 105.19 98.86 2wd3 n GLY 155 Ca 0.12 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2wd3 n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wd3 n LEU 156 N -1.66 0.84 -0.31 0.99 7.94 -0.17 -4.44 117.00 120.20 2wd3 n LEU 156 Ca 0.04 0.33 0.06 0.00 -1.11 0.00 0.00 56.01 55.32 2wd3 n LEU 156 Cb 0.21 -0.04 0.26 0.00 0.53 0.00 0.00 43.42 44.38 2wd3 n LEU 156 CO 0.16 -0.13 1.24 -0.61 -1.11 0.00 0.00 177.39 176.94 2wd3 h GLN 157 N 0.00 0.95 -0.57 1.96 5.75 -1.39 -1.60 115.11 120.21 2wd3 h GLN 157 Ca -0.03 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2wd3 h GLN 157 Cb 1.09 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.40 2wd3 h GLN 157 CO 0.01 0.63 0.37 -0.22 -2.65 0.00 0.00 178.83 176.96 2wd3 h LYS 158 N 0.98 0.76 0.23 1.69 3.64 -1.77 -0.28 116.57 121.80 2wd3 h LYS 158 Ca 0.41 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2wd3 h LYS 158 Cb 0.31 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2wd3 h LYS 158 CO -0.17 0.51 -0.11 0.28 -2.27 0.00 0.00 179.45 177.69 2wd3 h VAL 159 N 0.78 0.84 -0.60 2.00 2.07 -1.60 -3.24 116.25 116.51 2wd3 h VAL 159 Ca 0.21 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2wd3 h VAL 159 Cb -0.07 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2wd3 h VAL 159 CO -0.04 0.15 0.39 -0.37 0.02 0.00 0.00 177.57 177.72 2wd3 h VAL 160 N -0.68 1.06 0.00 2.57 -1.51 -0.82 -2.07 116.25 114.80 2wd3 h VAL 160 Ca -0.03 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2wd3 h VAL 160 Cb 0.47 0.33 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2wd3 h VAL 160 CO 0.05 0.12 0.00 0.44 -1.23 0.00 0.00 177.57 176.95 2wd3 h ASP 161 N 0.68 0.00 0.16 4.19 3.32 -1.11 -2.76 116.42 120.90 2wd3 h ASP 161 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2wd3 h ASP 161 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2wd3 h ASP 161 CO -0.07 0.00 -0.57 0.55 -1.72 0.00 0.00 179.24 177.44 2wd3 n VAL 162 N -2.79 0.00 0.21 -1.35 3.14 -0.78 -4.46 118.33 112.30 2wd3 n VAL 162 Ca 0.01 -0.10 0.05 0.00 -2.96 0.00 0.00 64.34 61.33 2wd3 n VAL 162 Cb 0.28 0.77 0.46 0.00 -1.06 0.00 0.00 33.84 34.28 2wd3 n VAL 162 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2wd3 h LEU 163 N 0.99 0.00 -2.06 6.55 3.38 -1.43 -1.43 115.31 121.30 2wd3 h LEU 163 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2wd3 h LEU 163 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2wd3 h LEU 163 CO 0.00 0.24 0.15 0.44 0.09 0.00 0.00 178.44 179.37 2wd3 h ASP 164 N 0.00 0.00 0.81 -0.43 3.45 -1.78 -2.09 116.42 116.38 2wd3 h ASP 164 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2wd3 h ASP 164 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 2wd3 h ASP 164 CO 0.03 0.00 -0.18 -1.54 -1.57 0.00 0.00 179.24 175.98 2wd3 n SER 165 N -4.34 0.18 -2.41 6.45 3.41 -0.54 -3.88 113.62 112.50 2wd3 n SER 165 Ca 0.02 0.22 -0.16 0.00 -0.26 0.00 0.00 58.87 58.69 2wd3 n SER 165 Cb 0.29 -0.23 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 2wd3 n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2wd3 n ILE 166 N -1.49 1.96 -0.25 -1.33 -5.35 -0.79 -4.73 119.36 107.37 2wd3 n ILE 166 Ca 0.07 -3.82 0.00 0.00 -0.27 0.00 0.00 62.75 58.73 2wd3 n ILE 166 Cb 0.34 -0.24 0.13 0.00 -1.74 0.00 0.00 39.64 38.13 2wd3 n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2wd3 h LYS 167 N 2.46 0.69 -6.22 6.28 3.64 -1.65 -3.42 116.57 118.35 2wd3 h LYS 167 Ca 0.16 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.92 2wd3 h LYS 167 Cb 1.32 -0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.87 2wd3 h LYS 167 CO 0.57 0.45 -0.68 0.95 -2.27 0.00 0.00 179.45 178.48 2wd3 s THR 168 N -6.07 3.20 0.12 1.00 -4.23 -1.26 -0.48 115.64 107.91 2wd3 s THR 168 Ca -0.13 -2.01 -0.36 0.00 -1.18 0.00 0.00 61.69 58.02 2wd3 s THR 168 Cb 0.18 -2.69 -0.16 0.00 1.34 0.00 0.00 72.50 71.16 2wd3 s THR 168 CO 0.77 -0.36 1.42 1.17 -0.54 0.00 0.00 174.62 177.07 2wd3 n LYS 169 N -0.76 1.50 -0.16 3.99 4.81 -0.15 -2.27 118.16 125.12 2wd3 n LYS 169 Ca -0.06 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2wd3 n LYS 169 Cb 0.59 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.42 2wd3 n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wd3 n GLY 170 N 2.80 0.89 3.77 3.14 0.00 0.36 -4.41 105.19 111.74 2wd3 n GLY 170 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2wd3 n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd3 s LYS 171 N -0.65 4.61 0.05 1.61 -0.14 -0.96 -4.94 119.74 119.33 2wd3 s LYS 171 Ca 0.00 1.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.82 2wd3 s LYS 171 Cb 0.00 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 2wd3 s LYS 171 CO 0.00 0.56 -0.04 -1.54 -0.76 0.00 0.00 175.35 173.57 2wd3 s SER 172 N -1.13 0.62 0.02 2.83 1.04 -1.26 -1.10 113.70 114.71 2wd3 s SER 172 Ca 0.37 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 2wd3 s SER 172 Cb -0.24 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 2wd3 s SER 172 CO 0.27 -0.46 0.03 0.00 0.98 0.00 0.00 173.24 174.06 2wd3 s ALA 173 N -3.03 -0.02 0.16 5.32 0.00 0.53 -4.95 121.76 119.76 2wd3 s ALA 173 Ca 0.01 -0.45 -0.33 0.00 0.00 0.00 0.00 51.96 51.19 2wd3 s ALA 173 Cb 0.01 0.14 -0.16 0.00 0.00 0.00 0.00 23.12 23.12 2wd3 s ALA 173 CO -0.06 -0.18 1.20 -0.25 0.00 0.00 0.00 175.76 176.47 2wd3 n ASP 174 N 1.51 1.42 -2.93 0.00 8.00 -1.26 -0.78 116.55 122.51 2wd3 n ASP 174 Ca -0.23 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.26 2wd3 n ASP 174 Cb 0.55 -1.22 -0.00 0.00 -0.02 0.00 0.00 41.12 40.44 2wd3 n ASP 174 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2wd3 n PHE 175 N 1.67 -2.24 -3.30 1.24 7.35 -0.69 -4.70 117.46 116.79 2wd3 n PHE 175 Ca 0.15 -2.43 -0.21 0.00 -0.76 0.00 0.00 57.45 54.21 2wd3 n PHE 175 Cb 0.24 0.84 0.00 0.00 0.35 0.00 0.00 39.48 40.90 2wd3 n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2wd3 s THR 176 N 0.02 4.19 -1.88 -2.13 -4.23 -1.26 -3.14 115.64 107.22 2wd3 s THR 176 Ca 0.33 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 2wd3 s THR 176 Cb 0.19 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2wd3 s THR 176 CO -0.19 -0.27 0.00 0.59 -0.54 0.00 0.00 174.62 174.22 2wd3 n ASN 177 N -1.82 -5.85 -4.72 3.99 3.02 -1.26 -4.96 115.26 103.67 2wd3 n ASN 177 Ca -0.00 0.09 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 2wd3 n ASN 177 Cb 0.58 -4.93 -0.06 0.00 -0.61 0.00 0.00 39.78 34.76 2wd3 n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2wd3 s PHE 178 N -2.99 3.49 -0.44 3.10 5.36 -1.26 -5.02 117.98 120.22 2wd3 s PHE 178 Ca 0.00 0.85 -0.15 0.00 -0.96 0.00 0.00 56.93 56.67 2wd3 s PHE 178 Cb 0.00 -2.54 0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2wd3 s PHE 178 CO 0.00 0.15 0.36 0.34 -1.46 0.00 0.00 175.22 174.61 2wd3 s ASP 179 N 0.66 6.13 0.20 6.13 -1.08 -1.26 -4.43 116.67 123.02 2wd3 s ASP 179 Ca 0.25 -1.12 0.19 0.00 -0.52 0.00 0.00 52.55 51.35 2wd3 s ASP 179 Cb -0.15 -2.18 0.86 0.00 -1.46 0.00 0.00 42.92 39.99 2wd3 s ASP 179 CO 0.10 -0.56 1.58 -0.81 0.52 0.00 0.00 175.17 176.00 2wd3 n PRO 180 N 5.20 0.13 0.33 4.34 -0.04 -1.26 -2.20 135.00 141.50 2wd3 n PRO 180 Ca -0.12 0.45 0.22 0.00 -0.04 0.00 0.00 63.50 64.01 2wd3 n PRO 180 Cb 0.45 -1.79 1.14 0.00 -0.04 0.00 0.00 33.50 33.27 2wd3 n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wd3 h ARG 181 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.36 114.38 114.72 2wd3 h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wd3 h ARG 181 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2wd3 h ARG 181 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2wd3 n GLY 182 N -0.97 -0.95 0.66 0.04 0.00 -0.93 -2.94 105.19 100.09 2wd3 n GLY 182 Ca -0.03 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2wd3 n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wd3 n LEU 183 N -1.10 2.46 -4.87 0.99 4.77 -0.51 -4.02 117.00 114.72 2wd3 n LEU 183 Ca 0.18 -1.20 -0.33 0.00 -0.03 0.00 0.00 56.01 54.62 2wd3 n LEU 183 Cb 0.13 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 2wd3 n LEU 183 CO 0.17 0.49 0.14 -0.76 -1.33 0.00 0.00 177.39 176.10 2wd3 s LEU 184 N -1.21 4.27 0.92 2.23 1.43 -1.15 -4.92 118.68 120.25 2wd3 s LEU 184 Ca 0.20 0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 54.01 2wd3 s LEU 184 Cb 0.13 -3.33 0.18 0.00 0.03 0.00 0.00 46.19 43.20 2wd3 s LEU 184 CO 0.19 0.05 1.28 -2.16 0.23 0.00 0.00 176.35 175.94 2wd3 s PRO 185 N -2.37 0.88 0.05 1.29 0.04 -1.26 -5.01 135.00 128.62 2wd3 s PRO 185 Ca 0.40 -0.42 -0.21 0.00 0.04 0.00 0.00 61.00 60.81 2wd3 s PRO 185 Cb -0.13 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 2wd3 s PRO 185 CO 0.21 -2.24 1.45 0.93 0.04 0.00 0.00 177.00 177.38 2wd3 h GLU 186 N -1.48 0.28 -6.27 4.56 5.08 -1.92 -3.44 114.58 111.40 2wd3 h GLU 186 Ca -0.44 -0.11 -0.57 0.00 -1.00 0.00 0.00 59.36 57.25 2wd3 h GLU 186 Cb 1.25 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 2wd3 h GLU 186 CO 0.41 0.56 -0.06 0.45 -1.00 0.00 0.00 179.01 179.37 2wd3 s SER 187 N -5.86 6.96 -0.18 1.42 0.15 -1.26 -4.97 113.70 109.96 2wd3 s SER 187 Ca -0.14 1.18 0.16 0.00 0.70 0.00 0.00 55.95 57.85 2wd3 s SER 187 Cb 0.05 -2.33 0.74 0.00 -1.71 0.00 0.00 66.02 62.78 2wd3 s SER 187 CO 0.72 0.21 1.66 0.18 1.20 0.00 0.00 173.24 177.21 2wd3 n LEU 188 N 1.34 5.09 -4.71 3.45 4.77 -1.26 -4.71 117.00 120.98 2wd3 n LEU 188 Ca -0.08 -2.72 -0.43 0.00 -0.03 0.00 0.00 56.01 52.75 2wd3 n LEU 188 Cb 0.51 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2wd3 n LEU 188 CO 0.41 0.71 1.02 0.47 -1.33 0.00 0.00 177.39 178.68 2wd3 n ASP 189 N 0.70 3.10 -3.82 -1.43 8.00 -1.26 -4.90 116.55 116.94 2wd3 n ASP 189 Ca 0.26 1.18 -0.09 0.00 0.71 0.00 0.00 54.79 56.85 2wd3 n ASP 189 Cb 1.03 -1.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.55 2wd3 n ASP 189 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2wd3 s TYR 190 N -0.64 0.09 0.12 1.24 -0.85 -1.26 -1.25 117.35 114.80 2wd3 s TYR 190 Ca 0.60 -0.50 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 2wd3 s TYR 190 Cb -0.56 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 2wd3 s TYR 190 CO 0.57 -0.57 0.13 -1.58 -1.52 0.00 0.00 175.55 172.59 2wd3 s TRP 191 N -3.82 3.23 -0.00 -3.49 0.51 0.04 -0.88 118.94 114.52 2wd3 s TRP 191 Ca 0.04 0.05 -0.03 0.00 -2.12 0.00 0.00 56.10 54.04 2wd3 s TRP 191 Cb 0.04 -1.59 -0.00 0.00 -0.81 0.00 0.00 33.47 31.11 2wd3 s TRP 191 CO -0.11 0.53 0.07 -0.08 -0.51 0.00 0.00 176.95 176.84 2wd3 s THR 192 N -1.59 0.06 0.04 2.01 -1.32 0.57 -0.97 115.64 114.44 2wd3 s THR 192 Ca 0.31 -0.50 -0.27 0.00 -1.21 0.00 0.00 61.69 60.02 2wd3 s THR 192 Cb -0.11 -0.27 0.09 0.00 -1.51 0.00 0.00 72.50 70.70 2wd3 s THR 192 CO 0.24 -0.28 0.75 -0.72 -2.21 0.00 0.00 174.62 172.40 2wd3 s TYR 193 N -0.88 -0.48 -0.02 9.09 1.13 -1.10 -0.87 117.35 124.22 2wd3 s TYR 193 Ca -0.10 0.47 -0.27 0.00 -1.41 0.00 0.00 57.07 55.77 2wd3 s TYR 193 Cb -0.06 0.51 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 2wd3 s TYR 193 CO 0.00 -0.66 0.83 -1.25 -2.51 0.00 0.00 175.55 171.97 2wd3 s PRO 194 N -2.82 4.51 0.00 -3.49 0.04 -1.26 -1.21 135.00 130.76 2wd3 s PRO 194 Ca -0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2wd3 s PRO 194 Cb -0.01 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2wd3 s PRO 194 CO -0.06 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2wd3 n GLY 195 N 2.91 4.47 3.27 0.56 0.00 0.30 -4.81 105.19 111.89 2wd3 n GLY 195 Ca 0.02 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 2wd3 n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wd3 s SER 196 N 1.52 0.64 0.41 1.61 1.04 -1.14 -2.44 113.70 115.34 2wd3 s SER 196 Ca 0.00 -1.47 -0.27 0.00 0.48 0.00 0.00 55.95 54.69 2wd3 s SER 196 Cb 0.00 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 66.49 2wd3 s SER 196 CO 0.00 -0.96 1.43 -0.76 0.98 0.00 0.00 173.24 173.93 2wd3 s LEU 197 N -3.22 4.22 0.00 2.42 1.02 -0.59 -4.48 118.68 118.05 2wd3 s LEU 197 Ca 0.38 2.93 0.28 0.00 0.02 0.00 0.00 54.13 57.74 2wd3 s LEU 197 Cb 0.05 -3.81 1.10 0.00 0.02 0.00 0.00 46.19 43.54 2wd3 s LEU 197 CO 0.17 -0.99 1.77 0.35 0.02 0.00 0.00 176.35 177.67 2wd3 n THR 198 N 0.15 0.00 -4.47 5.49 -2.24 -1.26 -4.36 114.28 107.60 2wd3 n THR 198 Ca 0.03 -0.17 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 2wd3 n THR 198 Cb 0.41 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 2wd3 n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wd3 s THR 199 N -2.18 2.50 0.32 4.28 -4.23 -1.26 -4.66 115.64 110.42 2wd3 s THR 199 Ca 0.35 -2.40 -0.26 0.00 -1.18 0.00 0.00 61.69 58.20 2wd3 s THR 199 Cb 0.21 -2.32 -0.14 0.00 1.34 0.00 0.00 72.50 71.59 2wd3 s THR 199 CO 0.40 -0.40 0.83 -2.65 -0.54 0.00 0.00 174.62 172.26 2wd3 n PRO 200 N -0.63 0.96 0.00 3.99 -0.02 -1.26 0.18 135.00 138.23 2wd3 n PRO 200 Ca -0.05 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 2wd3 n PRO 200 Cb 0.60 -1.66 0.39 0.00 -0.02 0.00 0.00 33.50 32.81 2wd3 n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wd3 n PRO 201 N 0.67 0.89 -2.13 0.52 -0.04 -1.26 -4.99 135.00 128.65 2wd3 n PRO 201 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2wd3 n PRO 201 Cb 0.33 -1.23 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2wd3 n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2wd3 n LEU 202 N -0.73 -1.79 -4.77 1.53 4.77 0.13 -4.90 117.00 111.24 2wd3 n LEU 202 Ca 0.10 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.83 2wd3 n LEU 202 Cb 0.04 -2.86 -0.00 0.00 -2.33 0.00 0.00 43.42 38.27 2wd3 n LEU 202 CO 0.07 -0.49 1.03 -0.76 -1.33 0.00 0.00 177.39 175.91 2wd3 s LEU 203 N -5.47 4.26 -1.21 2.23 1.43 -1.26 -4.39 118.68 114.27 2wd3 s LEU 203 Ca 0.00 2.83 -0.07 0.00 -1.03 0.00 0.00 54.13 55.85 2wd3 s LEU 203 Cb 0.00 -3.80 0.22 0.00 0.03 0.00 0.00 46.19 42.64 2wd3 s LEU 203 CO 0.00 -0.87 1.73 -0.62 0.23 0.00 0.00 176.35 176.83 2wd3 n GLU 204 N 0.28 3.94 -0.09 1.70 1.02 -1.26 -1.54 120.64 124.68 2wd3 n GLU 204 Ca 0.03 -3.91 0.01 0.00 -0.02 0.00 0.00 57.16 53.27 2wd3 n GLU 204 Cb 0.42 -2.77 0.01 0.00 -0.02 0.00 0.00 31.44 29.08 2wd3 n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wd3 s VAL 206 N -0.50 3.32 -0.38 0.00 1.01 -1.02 -0.28 120.40 122.54 2wd3 s VAL 206 Ca 0.03 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 2wd3 s VAL 206 Cb 0.02 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2wd3 s VAL 206 CO 0.00 0.50 0.64 -0.89 0.00 0.00 0.00 175.10 175.35 2wd3 s THR 207 N 0.55 4.86 0.01 3.92 2.01 0.42 -0.54 115.64 126.88 2wd3 s THR 207 Ca -0.06 0.45 -0.26 0.00 0.31 0.00 0.00 61.69 62.13 2wd3 s THR 207 Cb -0.15 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.19 2wd3 s THR 207 CO 0.03 -0.41 0.80 0.26 -0.69 0.00 0.00 174.62 174.61 2wd3 s TRP 208 N 2.76 3.69 -0.26 4.92 0.52 -0.35 -2.33 118.94 127.89 2wd3 s TRP 208 Ca 0.24 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.84 2wd3 s TRP 208 Cb -0.14 -2.88 0.07 0.00 -1.15 0.00 0.00 33.47 29.37 2wd3 s TRP 208 CO 0.16 0.18 -0.02 0.42 0.02 0.00 0.00 176.95 177.71 2wd3 s ILE 209 N 0.34 1.55 -0.23 2.03 1.01 -0.56 -2.71 121.20 122.63 2wd3 s ILE 209 Ca 0.41 -1.40 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 2wd3 s ILE 209 Cb -0.20 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 2wd3 s ILE 209 CO 0.23 -0.24 -0.01 -0.69 0.00 0.00 0.00 174.94 174.23 2wd3 s VAL 210 N 1.36 3.66 0.21 2.92 1.01 -0.14 -0.47 120.40 128.95 2wd3 s VAL 210 Ca -0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 2wd3 s VAL 210 Cb -0.19 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 2wd3 s VAL 210 CO -0.09 0.40 1.06 -0.76 0.00 0.00 0.00 175.10 175.72 2wd3 s LEU 211 N 1.46 4.54 0.15 3.92 1.43 -0.20 -0.78 118.68 129.20 2wd3 s LEU 211 Ca 0.05 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 55.10 2wd3 s LEU 211 Cb -0.14 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.48 2wd3 s LEU 211 CO -0.01 -0.12 1.76 0.50 0.23 0.00 0.00 176.35 178.71 2wd3 h LYS 212 N 4.60 0.58 -5.74 1.70 3.64 -1.51 -3.43 116.57 116.41 2wd3 h LYS 212 Ca -0.45 -0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.28 2wd3 h LYS 212 Cb 1.21 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.82 2wd3 h LYS 212 CO 0.70 0.45 0.24 -2.00 -2.27 0.00 0.00 179.45 176.57 2wd3 s GLU 213 N -5.91 4.22 0.72 1.90 2.12 -1.26 -5.01 118.70 115.49 2wd3 s GLU 213 Ca -0.13 0.76 -0.11 0.00 0.36 0.00 0.00 54.97 55.85 2wd3 s GLU 213 Cb 0.11 -3.59 0.02 0.00 0.26 0.00 0.00 34.13 30.93 2wd3 s GLU 213 CO 0.74 -0.31 1.07 -1.25 -0.54 0.00 0.00 175.26 174.97 2wd3 s PRO 214 N 2.14 2.72 0.17 4.30 0.04 -1.26 -4.66 135.00 138.45 2wd3 s PRO 214 Ca 0.32 0.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.13 2wd3 s PRO 214 Cb -0.16 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2wd3 s PRO 214 CO 0.10 -1.21 0.37 0.96 0.04 0.00 0.00 177.00 177.26 2wd3 s ILE 215 N -3.12 5.21 -0.13 0.56 -4.36 0.07 -4.85 121.20 114.58 2wd3 s ILE 215 Ca 0.59 -0.27 -0.10 0.00 -0.26 0.00 0.00 60.65 60.61 2wd3 s ILE 215 Cb -0.14 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.83 2wd3 s ILE 215 CO 0.54 -0.09 0.21 -0.44 0.24 0.00 0.00 174.94 175.41 2wd3 s SER 216 N -2.91 6.41 0.22 4.36 0.01 -1.26 -1.06 113.70 119.47 2wd3 s SER 216 Ca 0.39 0.49 0.09 0.00 1.31 0.00 0.00 55.95 58.22 2wd3 s SER 216 Cb -0.11 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 2wd3 s SER 216 CO 0.28 0.27 -0.17 0.68 0.41 0.00 0.00 173.24 174.71 2wd3 s VAL 217 N -0.35 1.94 0.49 3.43 -7.23 0.20 -3.27 120.40 115.61 2wd3 s VAL 217 Ca 0.15 -2.21 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 2wd3 s VAL 217 Cb -0.13 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 2wd3 s VAL 217 CO 0.04 -0.49 0.77 -0.94 -0.31 0.00 0.00 175.10 174.16 2wd3 s SER 218 N -3.25 6.04 0.26 4.85 1.04 -1.18 -0.28 113.70 121.18 2wd3 s SER 218 Ca 0.23 0.73 -0.02 0.00 0.48 0.00 0.00 55.95 57.37 2wd3 s SER 218 Cb -0.03 -1.99 0.46 0.00 0.10 0.00 0.00 66.02 64.57 2wd3 s SER 218 CO 0.09 -0.69 1.83 -1.28 0.98 0.00 0.00 173.24 174.17 2wd3 h SER 219 N 0.21 0.82 -0.80 7.02 0.87 -1.93 -1.77 113.55 117.97 2wd3 h SER 219 Ca -0.47 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 2wd3 h SER 219 Cb 1.23 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 2wd3 h SER 219 CO 0.61 0.46 0.38 -0.33 -0.53 0.00 0.00 176.83 177.42 2wd3 h GLU 220 N 0.92 1.15 -0.14 2.24 3.07 -1.95 -0.01 114.58 119.86 2wd3 h GLU 220 Ca 0.44 -0.17 -0.02 0.00 -0.50 0.00 0.00 59.36 59.12 2wd3 h GLU 220 Cb 0.39 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2wd3 h GLU 220 CO -0.25 0.89 0.02 1.96 -1.40 0.00 0.00 179.01 180.24 2wd3 h GLN 221 N 1.13 0.24 -0.13 2.33 4.20 -1.73 -2.89 115.11 118.25 2wd3 h GLN 221 Ca 0.27 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 2wd3 h GLN 221 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2wd3 h GLN 221 CO -0.03 0.42 -0.51 -0.24 -0.67 0.00 0.00 178.83 177.80 2wd3 h VAL 222 N 0.02 1.34 -0.89 -0.54 3.04 -1.25 -2.65 116.25 115.32 2wd3 h VAL 222 Ca 0.04 -1.75 0.12 0.00 -1.01 0.00 0.00 66.70 64.10 2wd3 h VAL 222 Cb 0.30 1.80 -0.07 0.00 -2.01 0.00 0.00 31.29 31.31 2wd3 h VAL 222 CO 0.00 0.53 0.57 -0.07 -1.01 0.00 0.00 177.57 177.60 2wd3 h LEU 223 N 0.28 0.73 -0.99 3.16 4.07 -0.95 -1.40 115.31 120.22 2wd3 h LEU 223 Ca 0.01 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 2wd3 h LEU 223 Cb 0.99 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2wd3 h LEU 223 CO 0.09 0.41 -0.38 0.11 -1.08 0.00 0.00 178.44 177.58 2wd3 h LYS 224 N 0.80 0.24 -0.63 1.13 1.57 -1.26 -2.17 116.57 116.25 2wd3 h LYS 224 Ca 0.43 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 2wd3 h LYS 224 Cb 0.55 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2wd3 h LYS 224 CO -0.19 0.59 0.38 0.74 -0.57 0.00 0.00 179.45 180.40 2wd3 h PHE 225 N 0.20 0.70 0.00 -1.35 -1.00 -1.16 -2.88 116.94 111.46 2wd3 h PHE 225 Ca 0.02 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.82 2wd3 h PHE 225 Cb 0.77 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.11 2wd3 h PHE 225 CO 0.01 0.39 0.00 0.54 -1.61 0.00 0.00 178.31 177.64 2wd3 n ARG 226 N -4.74 0.18 0.00 1.51 1.74 -0.83 -2.32 116.66 112.21 2wd3 n ARG 226 Ca 0.06 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.38 2wd3 n ARG 226 Cb 0.10 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.32 2wd3 n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wd3 n LYS 227 N -1.37 0.02 -0.94 5.56 5.02 -1.09 -4.47 118.16 120.89 2wd3 n LYS 227 Ca 0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 2wd3 n LYS 227 Cb 0.19 -1.51 0.15 0.00 -0.02 0.00 0.00 35.03 33.84 2wd3 n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wd3 s LEU 228 N -3.06 2.58 -0.04 -0.35 1.43 -0.98 -4.87 118.68 113.39 2wd3 s LEU 228 Ca 0.11 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.16 2wd3 s LEU 228 Cb 0.17 -4.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 2wd3 s LEU 228 CO 0.68 -2.82 -0.24 0.20 0.23 0.00 0.00 176.35 174.41 2wd3 s ASN 229 N -3.01 2.92 0.21 2.29 -0.87 0.37 0.05 114.94 116.89 2wd3 s ASN 229 Ca 0.65 -0.47 -0.01 0.00 -1.57 0.00 0.00 52.86 51.46 2wd3 s ASN 229 Cb -0.20 -0.54 0.18 0.00 -0.02 0.00 0.00 41.25 40.67 2wd3 s ASN 229 CO 0.58 0.27 1.55 -0.26 -2.57 0.00 0.00 177.10 176.67 2wd3 h PHE 230 N 5.78 0.62 -4.31 2.20 0.04 -1.37 -3.34 116.94 116.55 2wd3 h PHE 230 Ca -0.38 -0.20 -0.51 0.00 2.80 0.00 0.00 57.97 59.68 2wd3 h PHE 230 Cb 1.15 -0.12 0.11 0.00 2.20 0.00 0.00 35.95 39.28 2wd3 h PHE 230 CO 0.41 0.90 0.35 0.54 -0.60 0.00 0.00 178.31 179.91 2wd3 s ASN 231 N -6.89 5.09 0.79 2.17 4.22 -1.26 -4.40 114.94 114.66 2wd3 s ASN 231 Ca -0.07 1.72 -0.12 0.00 -2.14 0.00 0.00 52.86 52.25 2wd3 s ASN 231 Cb 0.12 -2.51 0.06 0.00 1.28 0.00 0.00 41.25 40.20 2wd3 s ASN 231 CO 0.83 -1.64 1.13 -0.83 -2.04 0.00 0.00 177.10 174.55 2wd3 s GLY 232 N -3.53 1.61 0.24 0.45 0.00 -1.26 -0.98 107.32 103.84 2wd3 s GLY 232 Ca 0.60 -0.44 -0.31 0.00 0.00 0.00 0.00 44.72 44.57 2wd3 s GLY 232 CO 0.53 0.01 1.47 -2.21 0.00 0.00 0.00 173.10 172.90 2wd3 n GLU 233 N -3.30 2.18 -0.71 2.90 2.13 -1.26 -2.58 120.64 120.00 2wd3 n GLU 233 Ca 0.07 0.78 0.00 0.00 0.66 0.00 0.00 57.16 58.67 2wd3 n GLU 233 Cb 0.58 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.82 2wd3 n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wd3 n GLY 234 N 2.34 0.84 3.95 8.31 0.00 -1.26 -5.04 105.19 114.33 2wd3 n GLY 234 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2wd3 n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wd3 s GLU 235 N -0.29 3.27 0.21 1.61 0.41 -1.06 -5.05 118.70 117.80 2wd3 s GLU 235 Ca 0.00 -0.52 -0.31 0.00 -0.41 0.00 0.00 54.97 53.73 2wd3 s GLU 235 Cb 0.00 -2.66 -0.15 0.00 -1.78 0.00 0.00 34.13 29.54 2wd3 s GLU 235 CO 0.00 -0.00 1.15 -2.30 -0.49 0.00 0.00 175.26 173.62 2wd3 n PRO 236 N -1.85 1.33 -2.21 0.39 -0.02 -1.26 -4.88 135.00 126.51 2wd3 n PRO 236 Ca -0.02 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2wd3 n PRO 236 Cb 0.57 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 2wd3 n PRO 236 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wd3 s GLU 237 N -0.70 4.28 -0.22 -0.52 2.12 -1.26 -4.81 118.70 117.59 2wd3 s GLU 237 Ca 0.68 1.98 0.01 0.00 0.36 0.00 0.00 54.97 58.01 2wd3 s GLU 237 Cb -0.78 -3.57 0.05 0.00 0.26 0.00 0.00 34.13 30.09 2wd3 s GLU 237 CO 0.54 -0.58 -0.07 -2.00 -0.54 0.00 0.00 175.26 172.61 2wd3 s GLU 238 N 2.39 1.73 0.23 4.30 2.56 -1.26 -5.07 118.70 123.58 2wd3 s GLU 238 Ca 0.64 -0.93 -0.30 0.00 0.00 0.00 0.00 54.97 54.37 2wd3 s GLU 238 Cb -0.32 -2.52 -0.10 0.00 2.00 0.00 0.00 34.13 33.19 2wd3 s GLU 238 CO 0.27 -0.55 1.50 -0.51 -0.56 0.00 0.00 175.26 175.42 2wd3 s LEU 239 N 1.40 4.37 -0.90 2.70 1.02 -1.26 -1.13 118.68 124.89 2wd3 s LEU 239 Ca -0.04 2.71 -0.24 0.00 0.02 0.00 0.00 54.13 56.57 2wd3 s LEU 239 Cb -0.18 -3.62 -0.00 0.00 0.02 0.00 0.00 46.19 42.41 2wd3 s LEU 239 CO -0.07 -0.78 1.69 -0.32 0.02 0.00 0.00 176.35 176.89 2wd3 s MET 240 N 0.01 3.01 0.04 1.70 -2.45 0.11 -4.56 119.30 117.16 2wd3 s MET 240 Ca 0.63 -0.49 -0.09 0.00 -1.25 0.00 0.00 55.69 54.49 2wd3 s MET 240 Cb -0.43 -5.01 0.00 0.00 1.25 0.00 0.00 34.83 30.64 2wd3 s MET 240 CO 0.41 -2.75 0.18 0.14 1.05 0.00 0.00 175.02 174.05 2wd3 s VAL 241 N 7.64 0.11 -1.34 10.11 -7.23 -1.26 -4.46 120.40 123.97 2wd3 s VAL 241 Ca 0.57 -0.93 -0.05 0.00 -1.81 0.00 0.00 61.98 59.76 2wd3 s VAL 241 Cb -0.05 -0.92 0.02 0.00 0.56 0.00 0.00 36.38 36.00 2wd3 s VAL 241 CO -0.00 -0.51 0.93 0.47 -0.31 0.00 0.00 175.10 175.67 2wd3 n ASP 242 N 0.69 -3.18 -2.58 4.85 8.00 -0.21 -4.86 116.55 119.25 2wd3 n ASP 242 Ca -0.19 -0.71 -0.31 0.00 0.71 0.00 0.00 54.79 54.30 2wd3 n ASP 242 Cb 0.59 -4.48 -0.01 0.00 -0.02 0.00 0.00 41.12 37.20 2wd3 n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wd3 n ASN 243 N -3.02 6.88 -4.27 -2.24 6.94 -1.12 -4.90 115.26 113.53 2wd3 n ASN 243 Ca -0.16 -3.43 -0.29 0.00 -0.02 0.00 0.00 54.58 50.68 2wd3 n ASN 243 Cb 0.62 -1.16 -0.15 0.00 -2.36 0.00 0.00 39.78 36.73 2wd3 n ASN 243 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 2wd3 s TRP 244 N -2.60 2.07 0.07 -2.53 1.48 -1.26 -4.56 118.94 111.61 2wd3 s TRP 244 Ca 0.55 -0.39 -0.23 0.00 -1.06 0.00 0.00 56.10 54.97 2wd3 s TRP 244 Cb 0.40 -1.30 -0.06 0.00 -1.16 0.00 0.00 33.47 31.34 2wd3 s TRP 244 CO -0.26 0.01 0.68 0.50 -4.06 0.00 0.00 176.95 173.81 2wd3 s ARG 245 N -0.74 4.40 0.89 3.25 3.52 -1.26 -4.98 118.95 124.02 2wd3 s ARG 245 Ca 0.09 0.93 -0.12 0.00 -0.13 0.00 0.00 55.73 56.50 2wd3 s ARG 245 Cb -0.09 -3.30 0.12 0.00 -1.56 0.00 0.00 34.95 30.12 2wd3 s ARG 245 CO -0.00 0.47 1.10 -1.25 -0.81 0.00 0.00 175.30 174.82 2wd3 s PRO 246 N -0.66 1.35 0.30 5.12 0.04 -1.26 -4.60 135.00 135.29 2wd3 s PRO 246 Ca 0.34 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 2wd3 s PRO 246 Cb -0.20 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 2wd3 s PRO 246 CO 0.21 -2.12 1.34 0.00 0.04 0.00 0.00 177.00 176.48 2wd3 n ALA 247 N -3.76 1.27 -2.59 8.56 0.00 -1.26 -4.32 120.51 118.42 2wd3 n ALA 247 Ca 0.07 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 2wd3 n ALA 247 Cb 0.57 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 2wd3 n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wd3 s GLN 248 N -1.31 2.51 0.17 0.00 -1.52 0.96 -4.95 119.66 115.52 2wd3 s GLN 248 Ca 0.60 -1.40 -0.33 0.00 -1.95 0.00 0.00 55.36 52.28 2wd3 s GLN 248 Cb -0.59 -2.29 -0.13 0.00 -0.22 0.00 0.00 33.01 29.77 2wd3 s GLN 248 CO 0.57 0.20 1.61 -2.30 -0.25 0.00 0.00 175.29 175.12 2wd3 n PRO 249 N -1.15 2.30 0.09 2.91 -0.02 -1.26 -4.58 135.00 133.29 2wd3 n PRO 249 Ca -0.04 0.83 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2wd3 n PRO 249 Cb 0.60 -2.62 0.23 0.00 -0.02 0.00 0.00 33.50 31.69 2wd3 n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wd3 h LEU 250 N 6.09 0.27 0.00 2.45 5.85 -1.95 -3.43 115.31 124.59 2wd3 h LEU 250 Ca -0.44 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2wd3 h LEU 250 Cb 1.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2wd3 h LEU 250 CO 0.90 0.64 0.00 0.29 -0.34 0.00 0.00 178.44 179.93 2wd3 n LYS 251 N -4.04 0.00 -2.08 1.25 5.02 -1.26 -3.26 118.16 113.79 2wd3 n LYS 251 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2wd3 n LYS 251 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2wd3 n LYS 251 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2wd3 n ASN 252 N 1.13 7.05 -4.03 4.39 5.15 -1.26 -4.90 115.26 122.78 2wd3 n ASN 252 Ca 0.00 -3.10 -0.15 0.00 -0.60 0.00 0.00 54.58 50.73 2wd3 n ASN 252 Cb 0.00 -1.41 -0.13 0.00 -0.53 0.00 0.00 39.78 37.71 2wd3 n ASN 252 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2wd3 s ARG 253 N -0.46 0.53 -0.12 1.20 0.52 -1.20 -5.10 118.95 114.31 2wd3 s ARG 253 Ca 0.50 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2wd3 s ARG 253 Cb 0.15 -0.39 -0.02 0.00 0.52 0.00 0.00 34.95 35.21 2wd3 s ARG 253 CO -0.06 0.09 -0.11 -0.65 0.02 0.00 0.00 175.30 174.59 2wd3 s GLN 254 N -1.05 3.31 -0.14 3.54 -0.21 -1.26 -5.05 119.66 118.80 2wd3 s GLN 254 Ca -0.05 -0.64 -0.19 0.00 0.02 0.00 0.00 55.36 54.49 2wd3 s GLN 254 Cb -0.07 -2.66 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 2wd3 s GLN 254 CO 0.00 0.29 0.54 0.42 -2.12 0.00 0.00 175.29 174.43 2wd3 s ILE 255 N 0.16 5.12 -0.00 1.08 1.01 -1.26 -4.73 121.20 122.57 2wd3 s ILE 255 Ca -0.06 1.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.64 2wd3 s ILE 255 Cb -0.15 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2wd3 s ILE 255 CO 0.04 0.24 0.13 -0.54 0.00 0.00 0.00 174.94 174.81 2wd3 s LYS 256 N 1.12 3.22 -0.04 2.79 3.01 -0.05 -1.97 119.74 127.83 2wd3 s LYS 256 Ca 0.28 -0.42 0.02 0.00 -1.01 0.00 0.00 55.97 54.84 2wd3 s LYS 256 Cb -0.16 -2.96 -0.03 0.00 -1.01 0.00 0.00 37.83 33.67 2wd3 s LYS 256 CO 0.11 0.66 -0.07 0.00 0.51 0.00 0.00 175.35 176.56 2wd3 s ALA 257 N -1.26 2.98 -1.50 5.17 0.00 0.43 -0.32 121.76 127.28 2wd3 s ALA 257 Ca 0.25 -0.94 0.29 0.00 0.00 0.00 0.00 51.96 51.56 2wd3 s ALA 257 Cb -0.12 -1.19 1.18 0.00 0.00 0.00 0.00 23.12 22.99 2wd3 s ALA 257 CO 0.16 0.59 1.84 -1.13 0.00 0.00 0.00 175.76 177.22 2wd3 n SER 258 N 2.00 0.39 -4.21 0.00 3.41 -0.06 -0.83 113.62 114.32 2wd3 n SER 258 Ca -0.17 -0.39 -0.14 0.00 -0.26 0.00 0.00 58.87 57.91 2wd3 n SER 258 Cb 0.53 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 2wd3 n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2wd3 s PHE 259 N -2.59 1.14 -2.62 7.33 -0.71 -1.26 -4.87 117.98 114.40 2wd3 s PHE 259 Ca 0.25 -0.72 0.27 0.00 -1.04 0.00 0.00 56.93 55.70 2wd3 s PHE 259 Cb 0.20 -0.61 0.85 0.00 -1.21 0.00 0.00 43.02 42.25 2wd3 s PHE 259 CO 0.50 0.03 1.63 1.63 -1.34 0.00 0.00 175.22 177.67