#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n LYS 8 N 0.00 0.51 0.00 5.55 4.76 -1.26 -4.63 118.16 123.09 2wdg n LYS 8 Ca 0.00 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 2wdg n LYS 8 Cb 0.00 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 2wdg n LYS 8 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wdg n GLU 9 N -4.48 0.00 -0.18 1.97 -0.58 -1.26 -0.55 120.64 115.55 2wdg n GLU 9 Ca -0.19 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.48 2wdg n GLU 9 Cb 0.50 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.39 2wdg n GLU 9 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2wdg h LEU 10 N 0.00 0.65 -2.06 -4.62 3.38 -2.00 -0.55 115.31 110.12 2wdg h LEU 10 Ca 0.00 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2wdg h LEU 10 Cb 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wdg h LEU 10 CO 0.00 0.54 0.36 -0.07 0.09 0.00 0.00 178.44 179.36 2wdg h LEU 11 N 0.71 0.00 0.00 1.67 3.38 -1.09 0.65 115.31 120.63 2wdg h LEU 11 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wdg h LEU 11 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2wdg h LEU 11 CO -0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.88 2wdg n GLU 12 N -3.55 0.00 0.00 1.13 1.02 0.23 -2.70 120.64 116.76 2wdg n GLU 12 Ca 0.04 0.29 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 2wdg n GLU 12 Cb 0.49 -1.13 0.03 0.00 -0.02 0.00 0.00 31.44 30.82 2wdg n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdg n ALA 13 N -1.36 1.09 -0.25 0.62 0.00 -1.02 -3.06 120.51 116.53 2wdg n ALA 13 Ca 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wdg n ALA 13 Cb 0.00 -1.02 0.23 0.00 0.00 0.00 0.00 19.45 18.66 2wdg n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdg n GLY 14 N -1.34 -0.93 0.00 0.00 0.00 0.22 -4.31 105.19 98.84 2wdg n GLY 14 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.72 2wdg n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdg n VAL 15 N -4.95 0.00 -2.86 1.61 0.24 -1.22 -5.05 118.33 106.11 2wdg n VAL 15 Ca 0.18 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.36 2wdg n VAL 15 Cb 0.59 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 33.00 2wdg n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wdg n HIS 16 N 0.00 -0.42 -3.84 6.34 -0.00 -1.17 -3.97 115.22 112.16 2wdg n HIS 16 Ca 0.00 -2.91 -0.07 0.00 -0.00 0.00 0.00 57.72 54.75 2wdg n HIS 16 Cb 0.00 0.25 -0.01 0.00 -0.00 0.00 0.00 29.99 30.22 2wdg n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2wdg s PHE 17 N -1.80 -0.15 0.30 4.41 -0.00 -1.26 -4.04 117.98 115.44 2wdg s PHE 17 Ca 0.30 -0.31 0.00 0.00 -0.00 0.00 0.00 56.93 56.92 2wdg s PHE 17 Cb 0.38 0.71 0.00 0.00 -0.00 0.00 0.00 43.02 44.12 2wdg s PHE 17 CO -0.04 -1.21 0.00 0.41 -0.00 0.00 0.00 175.22 174.38 2wdg n GLY 18 N -0.47 -4.68 0.00 1.99 0.00 -1.26 -4.69 105.19 96.08 2wdg n GLY 18 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2wdg n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wdg n HIS 19 N 0.28 0.00 -0.36 1.61 -0.00 -0.98 -4.64 115.22 111.12 2wdg n HIS 19 Ca 0.00 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.06 2wdg n HIS 19 Cb 0.00 0.00 0.12 0.00 -0.12 0.00 0.00 29.99 29.99 2wdg n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wdg n GLU 20 N 0.00 -1.22 -3.81 1.57 -0.58 -1.26 -3.84 120.64 111.50 2wdg n GLU 20 Ca 0.00 -0.58 -0.13 0.00 -0.42 0.00 0.00 57.16 56.03 2wdg n GLU 20 Cb 0.00 -1.12 -0.14 0.00 -0.57 0.00 0.00 31.44 29.61 2wdg n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2wdg s ARG 21 N -3.10 0.09 0.00 3.49 1.70 -1.26 -2.30 118.95 117.57 2wdg s ARG 21 Ca 0.27 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.73 2wdg s ARG 21 Cb -0.05 -0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 2wdg s ARG 21 CO 0.22 -0.07 0.00 1.63 -1.08 0.00 0.00 175.30 176.01 2wdg n LYS 22 N 3.44 0.00 -2.75 3.89 4.76 -1.26 -4.65 118.16 121.58 2wdg n LYS 22 Ca -0.17 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 2wdg n LYS 22 Cb 0.57 -2.56 0.02 0.00 -1.84 0.00 0.00 35.03 31.21 2wdg n LYS 22 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2wdg n ARG 23 N -0.48 5.10 0.00 1.97 0.63 -1.26 -4.89 116.66 117.73 2wdg n ARG 23 Ca 0.00 -4.61 0.00 0.00 -0.92 0.00 0.00 57.85 52.32 2wdg n ARG 23 Cb 0.00 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.42 2wdg n ARG 23 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2wdg n TRP 24 N 0.47 0.00 -3.16 -0.14 4.27 -1.26 -4.71 117.44 112.90 2wdg n TRP 24 Ca 0.40 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 54.06 2wdg n TRP 24 Cb 0.28 0.00 -0.01 0.00 -1.36 0.00 0.00 31.31 30.22 2wdg n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2wdg s ASN 25 N -0.31 -0.85 0.62 -0.67 3.84 -1.21 -4.81 114.94 111.54 2wdg s ASN 25 Ca 0.00 0.56 0.26 0.00 0.21 0.00 0.00 52.86 53.89 2wdg s ASN 25 Cb 0.00 1.73 1.28 0.00 -0.55 0.00 0.00 41.25 43.70 2wdg s ASN 25 CO 0.00 -0.16 1.71 1.55 -2.79 0.00 0.00 177.10 177.41 2wdg h PRO 26 N 7.98 0.00 -0.33 0.43 0.13 -1.93 -0.96 132.00 137.32 2wdg h PRO 26 Ca -0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.82 2wdg h PRO 26 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2wdg h PRO 26 CO 0.06 0.00 -0.34 0.87 -0.23 0.00 0.00 178.00 178.36 2wdg h LYS 27 N 0.00 0.75 -0.97 0.86 1.57 -1.96 -2.47 116.57 114.34 2wdg h LYS 27 Ca 0.20 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2wdg h LYS 27 Cb 1.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2wdg h LYS 27 CO -0.00 0.98 0.00 0.34 -0.57 0.00 0.00 179.45 180.19 2wdg n PHE 28 N -4.06 0.00 0.47 -1.35 -0.00 -0.36 -4.16 117.46 108.00 2wdg n PHE 28 Ca -0.01 -0.17 -0.18 0.00 -0.00 0.00 0.00 57.45 57.08 2wdg n PHE 28 Cb 0.50 -0.14 -0.09 0.00 -0.00 0.00 0.00 39.48 39.75 2wdg n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdg h ALA 29 N 1.91 -1.27 -0.98 3.13 0.00 -1.57 -3.26 119.26 117.22 2wdg h ALA 29 Ca 0.00 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 54.85 2wdg h ALA 29 Cb 0.60 0.47 -0.19 0.00 0.00 0.00 0.00 17.79 18.67 2wdg h ALA 29 CO 0.00 -1.19 -0.23 2.89 0.00 0.00 0.00 179.25 180.72 2wdg n ARG 30 N -5.36 -0.09 -0.62 0.00 1.85 -1.26 -1.01 116.66 110.17 2wdg n ARG 30 Ca -0.15 1.52 -0.03 0.00 -1.00 0.00 0.00 57.85 58.19 2wdg n ARG 30 Cb 0.47 -2.28 -0.04 0.00 -1.05 0.00 0.00 32.46 29.57 2wdg n ARG 30 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2wdg n TYR 31 N -5.58 0.02 -4.13 2.89 0.53 -1.23 -4.81 117.16 104.84 2wdg n TYR 31 Ca 0.16 -1.12 -0.16 0.00 -1.02 0.00 0.00 57.90 55.76 2wdg n TYR 31 Cb 0.50 -0.75 -0.12 0.00 -1.03 0.00 0.00 39.34 37.94 2wdg n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 2wdg s ILE 32 N 0.19 0.88 -0.14 -0.72 1.10 -0.18 -3.83 121.20 118.50 2wdg s ILE 32 Ca 0.15 -1.27 -0.05 0.00 -0.51 0.00 0.00 60.65 58.97 2wdg s ILE 32 Cb 0.07 -0.94 -0.07 0.00 0.15 0.00 0.00 42.46 41.67 2wdg s ILE 32 CO -0.00 -0.33 -0.17 0.00 -2.11 0.00 0.00 174.94 172.33 2wdg n TYR 33 N 1.24 0.00 -3.83 3.50 9.36 -0.40 -4.51 117.16 122.52 2wdg n TYR 33 Ca -0.21 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 60.97 2wdg n TYR 33 Cb 0.55 -0.51 0.01 0.00 -0.63 0.00 0.00 39.34 38.75 2wdg n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdg s ALA 34 N -2.26 -1.55 -0.43 2.98 0.00 -0.91 -4.99 121.76 114.59 2wdg s ALA 34 Ca -0.20 -0.20 0.05 0.00 0.00 0.00 0.00 51.96 51.61 2wdg s ALA 34 Cb 0.07 0.71 0.42 0.00 0.00 0.00 0.00 23.12 24.32 2wdg s ALA 34 CO 0.26 -1.05 1.11 -1.91 0.00 0.00 0.00 175.76 174.17 2wdg n GLU 35 N -0.61 3.41 -2.19 0.00 2.13 -1.26 0.16 120.64 122.28 2wdg n GLU 35 Ca -0.05 -4.48 -0.42 0.00 0.66 0.00 0.00 57.16 52.87 2wdg n GLU 35 Cb 0.60 -2.24 -0.03 0.00 0.27 0.00 0.00 31.44 30.04 2wdg n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2wdg s ARG 36 N -3.54 4.28 -0.69 5.31 3.00 -1.10 -3.02 118.95 123.20 2wdg s ARG 36 Ca 0.48 2.01 -0.00 0.00 0.00 0.00 0.00 55.73 58.22 2wdg s ARG 36 Cb 0.40 -3.54 -0.00 0.00 0.00 0.00 0.00 34.95 31.81 2wdg s ARG 36 CO -0.18 -0.57 0.57 -1.71 0.00 0.00 0.00 175.30 173.42 2wdg n ASN 37 N 5.21 -2.13 0.00 0.23 2.85 -1.26 -3.56 115.26 116.61 2wdg n ASN 37 Ca 0.13 -0.36 0.00 0.00 -0.11 0.00 0.00 54.58 54.24 2wdg n ASN 37 Cb 0.43 -3.17 0.00 0.00 1.24 0.00 0.00 39.78 38.29 2wdg n ASN 37 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2wdg n GLY 38 N -1.09 0.27 3.79 8.20 0.00 -1.17 -4.87 105.19 110.32 2wdg n GLY 38 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2wdg n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdg s ILE 39 N 0.00 3.64 -0.31 -0.61 1.01 -1.23 -4.42 121.20 119.27 2wdg s ILE 39 Ca 0.00 0.91 -0.27 0.00 0.00 0.00 0.00 60.65 61.29 2wdg s ILE 39 Cb 0.00 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 39.11 2wdg s ILE 39 CO 0.00 -0.33 0.96 -1.00 0.00 0.00 0.00 174.94 174.57 2wdg s HIS 40 N -2.14 3.17 -0.79 3.97 3.76 -0.97 -2.72 115.29 119.58 2wdg s HIS 40 Ca 0.67 1.04 -0.20 0.00 -0.15 0.00 0.00 55.06 56.42 2wdg s HIS 40 Cb -0.18 -3.50 0.11 0.00 1.11 0.00 0.00 32.58 30.12 2wdg s HIS 40 CO 0.29 -0.69 1.00 0.42 -0.85 0.00 0.00 174.74 174.92 2wdg s ILE 41 N 3.37 4.64 0.54 0.60 1.09 0.41 -2.32 121.20 129.53 2wdg s ILE 41 Ca 0.40 -1.14 -0.22 0.00 -1.10 0.00 0.00 60.65 58.59 2wdg s ILE 41 Cb -0.13 -4.70 -0.05 0.00 -1.06 0.00 0.00 42.46 36.52 2wdg s ILE 41 CO 0.14 -1.42 1.32 0.00 -0.10 0.00 0.00 174.94 174.88 2wdg n ILE 42 N 5.59 3.70 -2.16 2.92 3.06 -1.26 -1.27 119.36 129.94 2wdg n ILE 42 Ca 0.10 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.49 2wdg n ILE 42 Cb 0.47 -1.62 -0.04 0.00 0.54 0.00 0.00 39.64 38.99 2wdg n ILE 42 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2wdg s ASP 43 N -0.89 5.46 0.14 9.51 2.15 -1.25 -4.56 116.67 127.22 2wdg s ASP 43 Ca 0.71 -0.16 -0.26 0.00 0.43 0.00 0.00 52.55 53.27 2wdg s ASP 43 Cb -0.43 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.63 2wdg s ASP 43 CO 0.50 -2.33 1.61 -0.07 -0.17 0.00 0.00 175.17 174.72 2wdg h LEU 44 N 16.02 -0.96 -0.93 -1.34 4.07 -1.94 -2.73 115.31 127.50 2wdg h LEU 44 Ca -0.14 0.14 0.11 0.00 0.08 0.00 0.00 57.88 58.07 2wdg h LEU 44 Cb 1.10 0.41 -0.13 0.00 1.08 0.00 0.00 40.66 43.12 2wdg h LEU 44 CO 1.24 -0.35 -0.51 -0.61 -1.08 0.00 0.00 178.44 177.13 2wdg h GLN 45 N -0.38 -0.04 0.00 1.13 4.15 -2.00 0.24 115.11 118.21 2wdg h GLN 45 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2wdg h GLN 45 Cb 0.53 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2wdg h GLN 45 CO -0.35 -0.03 -0.09 -0.22 -1.93 0.00 0.00 178.83 176.21 2wdg h LYS 46 N -0.04 0.00 -0.44 1.69 3.64 -1.91 -2.32 116.57 117.18 2wdg h LYS 46 Ca 0.21 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.68 2wdg h LYS 46 Cb 0.49 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.22 2wdg h LYS 46 CO -0.92 0.09 -0.14 1.15 -2.27 0.00 0.00 179.45 177.37 2wdg h THR 47 N 0.00 0.51 -0.33 1.00 2.02 -0.22 -1.39 112.91 114.50 2wdg h THR 47 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2wdg h THR 47 Cb 0.19 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 2wdg h THR 47 CO 0.01 0.00 -0.31 -0.03 0.37 0.00 0.00 175.52 175.56 2wdg h MET 48 N -0.03 -0.14 -0.98 6.66 1.85 -1.37 0.45 114.93 121.37 2wdg h MET 48 Ca 0.21 0.01 0.25 0.00 -0.61 0.00 0.00 59.70 59.56 2wdg h MET 48 Cb 0.36 0.03 -0.18 0.00 0.43 0.00 0.00 31.60 32.24 2wdg h MET 48 CO -0.47 -0.09 -0.06 0.93 -0.40 0.00 0.00 176.91 176.81 2wdg h GLU 49 N -0.15 0.01 0.73 0.39 5.08 -1.37 0.50 114.58 119.76 2wdg h GLU 49 Ca 0.06 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2wdg h GLU 49 Cb 0.29 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wdg h GLU 49 CO -0.39 0.00 -0.35 0.93 -1.00 0.00 0.00 179.01 178.20 2wdg h GLU 50 N 0.01 -0.95 -0.72 2.33 4.39 0.01 -3.00 114.58 116.64 2wdg h GLU 50 Ca 0.55 0.06 0.12 0.00 0.34 0.00 0.00 59.36 60.44 2wdg h GLU 50 Cb 1.06 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 29.80 2wdg h GLU 50 CO -0.95 -0.63 -0.27 1.28 -1.16 0.00 0.00 179.01 177.28 2wdg n LEU 51 N -4.89 -0.44 0.04 1.33 4.77 0.13 -0.62 117.00 117.32 2wdg n LEU 51 Ca -0.12 1.26 -0.08 0.00 -0.03 0.00 0.00 56.01 57.04 2wdg n LEU 51 Cb 0.39 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2wdg n LEU 51 CO 0.29 -1.14 0.51 -0.08 -1.33 0.00 0.00 177.39 175.64 2wdg h GLU 52 N 0.00 -0.32 -0.20 3.23 4.81 -1.22 0.92 114.58 121.80 2wdg h GLU 52 Ca 0.27 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 2wdg h GLU 52 Cb 0.45 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2wdg h GLU 52 CO -0.72 -0.22 0.48 -0.09 -0.73 0.00 0.00 179.01 177.73 2wdg h ARG 53 N -0.34 0.00 0.08 1.92 1.12 -0.72 0.11 114.38 116.55 2wdg h ARG 53 Ca 0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.68 2wdg h ARG 53 Cb 0.35 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2wdg h ARG 53 CO -0.15 0.00 -0.98 1.15 -3.11 0.00 0.00 179.97 176.88 2wdg h THR 54 N 0.00 1.27 0.00 0.20 2.02 0.38 -3.34 112.91 113.44 2wdg h THR 54 Ca 0.09 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.89 2wdg h THR 54 Cb 1.05 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.34 2wdg h THR 54 CO -0.00 0.62 0.00 -0.26 0.37 0.00 0.00 175.52 176.25 2wdg h PHE 55 N -0.57 0.00 -0.09 3.16 0.04 0.51 -0.73 116.94 119.26 2wdg h PHE 55 Ca -0.22 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 2wdg h PHE 55 Cb 1.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.65 2wdg h PHE 55 CO 0.17 0.00 -0.03 0.00 -0.60 0.00 0.00 178.31 177.84 2wdg h ARG 56 N 0.00 0.13 0.11 1.51 2.47 -0.96 1.07 114.38 118.71 2wdg h ARG 56 Ca 0.00 -0.02 -0.35 0.00 -1.26 0.00 0.00 59.98 58.35 2wdg h ARG 56 Cb 0.68 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 2wdg h ARG 56 CO 0.00 0.18 -1.91 0.35 0.56 0.00 0.00 179.97 179.15 2wdg h PHE 57 N 0.13 0.43 0.21 3.04 3.57 -1.55 -2.80 116.94 119.98 2wdg h PHE 57 Ca 0.03 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 2wdg h PHE 57 Cb 0.15 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2wdg h PHE 57 CO 0.00 1.64 -0.10 0.82 -2.23 0.00 0.00 178.31 178.44 2wdg h ILE 58 N 0.06 0.81 -0.95 1.41 1.08 -0.56 0.33 117.51 119.69 2wdg h ILE 58 Ca -0.39 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 2wdg h ILE 58 Cb 2.04 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 36.60 2wdg h ILE 58 CO 0.10 0.02 0.59 -0.08 -0.69 0.00 0.00 178.15 178.09 2wdg h GLU 59 N -0.33 1.27 -0.02 2.37 4.81 0.10 0.39 114.58 123.18 2wdg h GLU 59 Ca -0.03 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 58.95 2wdg h GLU 59 Cb 0.25 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2wdg h GLU 59 CO 0.05 0.87 -0.68 0.22 -0.73 0.00 0.00 179.01 178.74 2wdg h ASP 60 N 1.30 0.12 1.66 1.04 -0.00 -1.25 -2.24 116.42 117.05 2wdg h ASP 60 Ca 0.34 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.03 57.25 2wdg h ASP 60 Cb -0.09 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.20 2wdg h ASP 60 CO -0.07 0.77 -0.35 0.25 -0.00 0.00 0.00 179.24 179.84 2wdg h LEU 61 N 0.07 0.00 0.49 2.28 5.85 0.17 -3.22 115.31 120.95 2wdg h LEU 61 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2wdg h LEU 61 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 2wdg h LEU 61 CO 0.10 0.20 -0.24 0.00 -0.34 0.00 0.00 178.44 178.16 2wdg h ALA 62 N 1.80 -0.74 0.37 1.25 0.00 0.07 -1.58 119.26 120.44 2wdg h ALA 62 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wdg h ALA 62 Cb 1.16 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2wdg h ALA 62 CO 0.02 -0.69 -0.50 0.00 0.00 0.00 0.00 179.25 178.08 2wdg h MET 63 N -1.04 -0.87 0.00 0.00 -0.00 -1.30 0.47 114.93 112.18 2wdg h MET 63 Ca -0.07 0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2wdg h MET 63 Cb 0.50 0.20 0.00 0.00 -0.00 0.00 0.00 31.60 32.30 2wdg h MET 63 CO 0.11 -0.58 0.00 2.89 -0.00 0.00 0.00 176.91 179.33 2wdg n ARG 64 N -5.42 0.07 -2.26 -0.10 1.85 -1.22 -4.90 116.66 104.70 2wdg n ARG 64 Ca -0.11 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2wdg n ARG 64 Cb 0.43 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 2wdg n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wdg n GLY 65 N -0.90 -4.23 2.94 2.89 0.00 0.16 -5.06 105.19 100.99 2wdg n GLY 65 Ca 0.02 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2wdg n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdg s GLY 66 N -0.44 -0.04 0.29 -0.02 0.00 -0.66 -4.98 107.32 101.47 2wdg s GLY 66 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 2wdg s GLY 66 CO 0.00 0.85 1.52 -0.51 0.00 0.00 0.00 173.10 174.96 2wdg s THR 67 N 0.95 2.30 -0.08 0.90 -4.23 -1.26 -4.87 115.64 109.35 2wdg s THR 67 Ca -0.07 0.26 0.04 0.00 -1.18 0.00 0.00 61.69 60.73 2wdg s THR 67 Cb -0.09 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2wdg s THR 67 CO -0.05 0.04 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.26 2wdg s ILE 68 N -0.18 1.62 -0.27 2.99 -1.09 -1.26 -1.30 121.20 121.71 2wdg s ILE 68 Ca 0.60 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 58.12 2wdg s ILE 68 Cb -0.45 -1.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.96 2wdg s ILE 68 CO 0.48 0.46 0.25 -0.22 -1.23 0.00 0.00 174.94 174.68 2wdg s LEU 69 N 0.39 4.04 0.08 2.97 2.96 -1.12 -3.54 118.68 124.45 2wdg s LEU 69 Ca -0.14 0.10 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 2wdg s LEU 69 Cb -0.16 -2.22 -0.06 0.00 0.50 0.00 0.00 46.19 44.24 2wdg s LEU 69 CO 0.06 -0.08 0.51 -0.36 -1.32 0.00 0.00 176.35 175.16 2wdg s PHE 70 N 1.79 3.71 -0.12 5.38 0.40 0.24 -0.82 117.98 128.55 2wdg s PHE 70 Ca 0.10 1.11 0.01 0.00 -0.60 0.00 0.00 56.93 57.55 2wdg s PHE 70 Cb -0.16 -2.38 0.02 0.00 0.51 0.00 0.00 43.02 41.00 2wdg s PHE 70 CO 0.10 0.54 -0.15 0.08 0.70 0.00 0.00 175.22 176.50 2wdg s VAL 71 N -1.24 1.49 -0.30 -0.44 1.01 0.15 -2.19 120.40 118.87 2wdg s VAL 71 Ca 0.31 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 2wdg s VAL 71 Cb -0.17 -1.37 0.16 0.00 0.00 0.00 0.00 36.38 35.00 2wdg s VAL 71 CO 0.18 0.44 0.75 -0.83 0.00 0.00 0.00 175.10 175.64 2wdg s GLY 72 N 1.10 -0.67 -0.00 4.51 0.00 -1.04 -1.71 107.32 109.52 2wdg s GLY 72 Ca -0.04 2.37 0.02 0.00 0.00 0.00 0.00 44.72 47.07 2wdg s GLY 72 CO -0.03 3.30 0.09 -1.30 0.00 0.00 0.00 173.10 175.15 2wdg n THR 73 N 5.35 0.00 -2.52 0.90 -2.24 -1.26 -3.77 114.28 110.74 2wdg n THR 73 Ca -0.07 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 2wdg n THR 73 Cb 0.51 0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 69.58 2wdg n THR 73 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2wdg s LYS 74 N -1.40 4.65 0.00 -0.78 0.00 -1.26 -4.84 119.74 116.10 2wdg s LYS 74 Ca 0.00 1.73 0.03 0.00 0.00 0.00 0.00 55.97 57.73 2wdg s LYS 74 Cb 0.02 -3.24 0.17 0.00 0.00 0.00 0.00 37.83 34.78 2wdg s LYS 74 CO 0.09 0.19 0.65 1.17 0.00 0.00 0.00 175.35 177.45 2wdg n LYS 75 N 1.74 0.49 -0.00 1.78 0.00 -1.26 -0.24 118.16 120.67 2wdg n LYS 75 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.45 2wdg n LYS 75 Cb 0.46 -1.09 0.48 0.00 0.00 0.00 0.00 35.03 34.87 2wdg n LYS 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2wdg n GLN 76 N -0.59 1.74 -0.01 1.64 6.02 -1.26 -4.33 117.38 120.59 2wdg n GLN 76 Ca 0.02 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.94 2wdg n GLN 76 Cb 0.01 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.79 2wdg n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdg n ALA 77 N 0.30 0.50 -0.61 -1.58 0.00 -0.31 -3.52 120.51 115.29 2wdg n ALA 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wdg n ALA 77 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2wdg n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wdg n GLN 78 N 0.00 0.00 -0.33 0.00 6.02 0.67 -1.63 117.38 122.11 2wdg n GLN 78 Ca 0.00 0.47 -0.08 0.00 -0.01 0.00 0.00 57.00 57.38 2wdg n GLN 78 Cb 0.24 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.23 2wdg n GLN 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2wdg n ASP 79 N -1.47 -0.82 -0.27 1.08 8.00 -1.26 -1.03 116.55 120.78 2wdg n ASP 79 Ca 0.00 1.40 0.03 0.00 0.71 0.00 0.00 54.79 56.93 2wdg n ASP 79 Cb 0.00 -0.19 0.17 0.00 -0.02 0.00 0.00 41.12 41.08 2wdg n ASP 79 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2wdg h ILE 80 N 0.00 0.83 0.00 0.53 2.10 -1.94 -0.14 117.51 118.89 2wdg h ILE 80 Ca 0.13 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.85 2wdg h ILE 80 Cb 0.33 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.18 2wdg h ILE 80 CO -0.74 0.12 0.00 0.52 -1.08 0.00 0.00 178.15 176.97 2wdg n VAL 81 N -4.84 0.00 -0.09 2.19 0.31 -0.20 -0.95 118.33 114.76 2wdg n VAL 81 Ca 0.13 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 2wdg n VAL 81 Cb 0.31 -0.87 -0.08 0.00 -0.91 0.00 0.00 33.84 32.29 2wdg n VAL 81 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdg n ARG 82 N -0.88 0.42 0.19 5.55 0.63 -0.08 -4.16 116.66 118.32 2wdg n ARG 82 Ca 0.00 0.13 -0.07 0.00 -0.92 0.00 0.00 57.85 56.99 2wdg n ARG 82 Cb 0.00 -1.28 -0.03 0.00 0.45 0.00 0.00 32.46 31.60 2wdg n ARG 82 CO 0.00 0.00 0.00 0.52 -2.51 0.00 0.00 177.63 175.64 2wdg h MET 83 N -0.24 -0.46 0.00 -0.14 2.86 -0.90 0.53 114.93 116.58 2wdg h MET 83 Ca -0.42 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2wdg h MET 83 Cb 1.53 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.30 2wdg h MET 83 CO -0.14 -0.30 0.01 0.93 1.06 0.00 0.00 176.91 178.46 2wdg h GLU 84 N -0.49 0.00 0.00 1.72 4.39 -1.79 0.12 114.58 118.53 2wdg h GLU 84 Ca -0.05 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2wdg h GLU 84 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2wdg h GLU 84 CO 0.08 0.00 -0.52 0.00 -1.16 0.00 0.00 179.01 177.41 2wdg h ALA 85 N 1.98 0.08 -0.80 3.43 0.00 -1.64 -3.36 119.26 118.95 2wdg h ALA 85 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2wdg h ALA 85 Cb 0.01 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2wdg h ALA 85 CO 0.00 0.36 0.53 0.93 0.00 0.00 0.00 179.25 181.07 2wdg h GLU 86 N -1.00 0.99 -2.28 0.00 5.08 0.47 -2.41 114.58 115.42 2wdg h GLU 86 Ca -0.10 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 2wdg h GLU 86 Cb 0.72 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2wdg h GLU 86 CO -0.06 0.65 -0.03 -2.13 -1.00 0.00 0.00 179.01 176.44 2wdg n ARG 87 N -4.44 1.06 0.00 2.33 0.00 0.37 -0.68 116.66 115.29 2wdg n ARG 87 Ca 0.10 -0.44 0.00 0.00 -0.00 0.00 0.00 57.85 57.51 2wdg n ARG 87 Cb 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.91 2wdg n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdg n ALA 88 N 2.42 0.00 -2.36 5.13 0.00 -0.94 -4.92 120.51 119.84 2wdg n ALA 88 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 2wdg n ALA 88 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2wdg n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdg n GLY 89 N 0.00 -0.36 3.65 0.00 0.00 0.15 -4.96 105.19 103.67 2wdg n GLY 89 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2wdg n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wdg s MET 90 N -4.91 4.02 0.52 1.61 -1.94 -1.12 -5.03 119.30 112.45 2wdg s MET 90 Ca 0.00 -0.32 -0.20 0.00 -1.71 0.00 0.00 55.69 53.47 2wdg s MET 90 Cb 0.00 -3.31 -0.10 0.00 2.01 0.00 0.00 34.83 33.43 2wdg s MET 90 CO 0.00 0.23 0.53 -2.30 -0.01 0.00 0.00 175.02 173.47 2wdg n PRO 91 N 3.70 0.56 -1.19 2.03 -0.02 -1.23 -4.57 135.00 134.28 2wdg n PRO 91 Ca -0.16 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2wdg n PRO 91 Cb 0.52 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2wdg n PRO 91 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2wdg n TYR 92 N -1.38 -0.04 -3.61 6.00 0.18 -0.42 -0.59 117.16 117.31 2wdg n TYR 92 Ca 0.11 0.00 -0.01 0.00 1.88 0.00 0.00 57.90 59.89 2wdg n TYR 92 Cb 0.45 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.37 2wdg n TYR 92 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2wdg s VAL 93 N -1.70 -0.91 -0.04 -3.48 -7.23 -0.93 -4.21 120.40 101.91 2wdg s VAL 93 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2wdg s VAL 93 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 2wdg s VAL 93 CO 0.00 0.00 0.63 0.59 -0.31 0.00 0.00 175.10 176.01 2wdg n ASN 94 N 5.36 1.27 0.00 4.85 3.02 -1.25 -2.49 115.26 126.03 2wdg n ASN 94 Ca -0.12 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 2wdg n ASN 94 Cb 0.50 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 2wdg n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wdg n GLN 95 N -0.10 3.90 -2.18 3.52 1.13 -1.26 -4.74 117.38 117.66 2wdg n GLN 95 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 2wdg n GLN 95 Cb 0.07 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.39 2wdg n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2wdg s ARG 96 N 1.87 3.17 -0.21 -1.09 3.00 -1.26 -4.72 118.95 119.70 2wdg s ARG 96 Ca 0.00 0.85 -0.40 0.00 0.00 0.00 0.00 55.73 56.18 2wdg s ARG 96 Cb 0.00 -4.20 -0.16 0.00 0.00 0.00 0.00 34.95 30.59 2wdg s ARG 96 CO 0.00 -2.08 1.68 1.87 0.00 0.00 0.00 175.30 176.77 2wdg n TRP 97 N 10.53 1.96 -2.07 -0.53 -0.00 -1.26 -4.87 117.44 121.21 2wdg n TRP 97 Ca 0.18 0.55 -0.31 0.00 -0.00 0.00 0.00 57.50 57.92 2wdg n TRP 97 Cb 0.49 -2.44 -0.00 0.00 -0.00 0.00 0.00 31.31 29.36 2wdg n TRP 97 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2wdg s LEU 98 N 3.03 3.37 -0.96 5.87 1.43 -1.26 -4.98 118.68 125.17 2wdg s LEU 98 Ca 0.96 1.45 -0.22 0.00 -1.03 0.00 0.00 54.13 55.29 2wdg s LEU 98 Cb -1.05 -4.46 0.07 0.00 0.03 0.00 0.00 46.19 40.77 2wdg s LEU 98 CO 0.62 -0.77 1.35 -0.83 0.23 0.00 0.00 176.35 176.96 2wdg s GLY 99 N -3.81 1.37 0.00 -3.19 0.00 -1.26 -3.43 107.32 96.99 2wdg s GLY 99 Ca 0.56 -2.27 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2wdg s GLY 99 CO 0.46 2.53 0.00 0.61 0.00 0.00 0.00 173.10 176.70 2wdg n GLY 100 N 6.42 0.68 0.36 0.20 0.00 -1.26 -4.81 105.19 106.77 2wdg n GLY 100 Ca 0.27 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.49 2wdg n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wdg h MET 101 N 0.00 0.47 0.00 1.61 0.00 -1.82 0.66 114.93 115.85 2wdg h MET 101 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 59.70 59.48 2wdg h MET 101 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 31.60 31.46 2wdg h MET 101 CO 0.00 0.31 -1.57 1.28 0.00 0.00 0.00 176.91 176.93 2wdg n LEU 102 N -4.86 1.82 -0.03 1.22 4.32 -1.26 -3.89 117.00 114.32 2wdg n LEU 102 Ca 0.28 0.31 -0.12 0.00 -0.02 0.00 0.00 56.01 56.46 2wdg n LEU 102 Cb 0.83 -0.72 -0.06 0.00 -1.62 0.00 0.00 43.42 41.85 2wdg n LEU 102 CO 0.17 0.06 0.79 0.74 -1.22 0.00 0.00 177.39 177.92 2wdg h THR 103 N -0.91 1.20 -0.90 -5.08 2.02 -1.76 -2.42 112.91 105.07 2wdg h THR 103 Ca -0.28 -0.62 -0.56 0.00 0.77 0.00 0.00 66.41 65.71 2wdg h THR 103 Cb 1.20 1.40 -0.27 0.00 -1.74 0.00 0.00 68.15 68.74 2wdg h THR 103 CO -0.17 0.18 0.72 -3.20 0.37 0.00 0.00 175.52 173.42 2wdg n ASN 104 N -4.85 6.10 0.01 4.18 2.85 0.21 -4.64 115.26 119.11 2wdg n ASN 104 Ca -0.06 -3.57 -0.10 0.00 -0.11 0.00 0.00 54.58 50.74 2wdg n ASN 104 Cb 0.16 -0.93 -0.07 0.00 1.24 0.00 0.00 39.78 40.18 2wdg n ASN 104 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2wdg h PHE 105 N 1.54 -1.07 -0.63 1.20 3.57 -0.33 0.25 116.94 121.46 2wdg h PHE 105 Ca 0.56 0.04 0.14 0.00 3.53 0.00 0.00 57.97 62.23 2wdg h PHE 105 Cb 1.50 0.47 -0.12 0.00 2.79 0.00 0.00 35.95 40.59 2wdg h PHE 105 CO 1.36 -0.37 -0.13 1.17 -2.23 0.00 0.00 178.31 178.11 2wdg n LYS 106 N -4.47 -0.06 0.06 1.11 4.81 -1.26 -0.25 118.16 118.11 2wdg n LYS 106 Ca -0.04 0.98 0.02 0.00 -0.87 0.00 0.00 58.31 58.40 2wdg n LYS 106 Cb 0.26 -1.48 -0.05 0.00 0.02 0.00 0.00 35.03 33.77 2wdg n LYS 106 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2wdg h THR 107 N 0.00 0.50 0.00 3.15 2.02 -1.65 -3.29 112.91 113.64 2wdg h THR 107 Ca 0.32 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 65.59 2wdg h THR 107 Cb 0.52 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2wdg h THR 107 CO -0.64 0.29 0.00 -0.38 0.37 0.00 0.00 175.52 175.15 2wdg n ILE 108 N -2.93 0.69 0.08 3.11 2.08 0.78 -3.34 119.36 119.82 2wdg n ILE 108 Ca -0.06 -0.11 -0.22 0.00 0.56 0.00 0.00 62.75 62.93 2wdg n ILE 108 Cb 0.78 -0.80 -0.15 0.00 -0.75 0.00 0.00 39.64 38.73 2wdg n ILE 108 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2wdg h SER 109 N 0.00 0.63 0.00 4.38 0.02 -1.07 -3.26 113.55 114.25 2wdg h SER 109 Ca 0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2wdg h SER 109 Cb 0.61 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2wdg h SER 109 CO 0.00 1.50 0.31 0.00 -1.14 0.00 0.00 176.83 177.50 2wdg n GLN 110 N -3.98 0.00 -0.05 3.45 6.02 -1.21 0.08 117.38 121.69 2wdg n GLN 110 Ca -0.15 0.22 -0.22 0.00 -0.01 0.00 0.00 57.00 56.85 2wdg n GLN 110 Cb 0.91 -1.82 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 2wdg n GLN 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wdg h ARG 111 N 0.00 0.12 0.00 -1.09 2.47 -1.75 -2.73 114.38 111.41 2wdg h ARG 111 Ca 0.00 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2wdg h ARG 111 Cb 0.62 0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 2wdg h ARG 111 CO 0.00 1.10 -0.00 0.28 0.56 0.00 0.00 179.97 181.91 2wdg h VAL 112 N -0.53 0.71 -0.07 2.04 2.07 -0.51 0.21 116.25 120.16 2wdg h VAL 112 Ca -0.37 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 2wdg h VAL 112 Cb 1.62 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2wdg h VAL 112 CO -0.07 0.00 -0.38 -0.74 0.02 0.00 0.00 177.57 176.40 2wdg h HIS 113 N 0.00 0.52 0.00 1.57 -0.00 -1.50 -2.73 115.15 113.00 2wdg h HIS 113 Ca -0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 2wdg h HIS 113 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.33 2wdg h HIS 113 CO 0.00 0.99 0.00 -2.13 -0.00 0.00 0.00 177.93 176.79 2wdg n ARG 114 N -4.37 0.06 0.04 5.26 3.00 -0.21 -2.02 116.66 118.42 2wdg n ARG 114 Ca -0.08 0.22 -0.02 0.00 -0.00 0.00 0.00 57.85 57.96 2wdg n ARG 114 Cb 0.54 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.49 2wdg n ARG 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2wdg h LEU 115 N 0.00 -0.13 -0.26 6.15 5.85 -0.37 -3.05 115.31 123.49 2wdg h LEU 115 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wdg h LEU 115 Cb 0.22 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2wdg h LEU 115 CO 0.00 0.14 0.00 -1.84 -0.34 0.00 0.00 178.44 176.40 2wdg n GLU 116 N -3.74 0.04 0.17 1.25 0.28 -1.12 0.65 120.64 118.17 2wdg n GLU 116 Ca -0.02 0.45 0.05 0.00 -0.16 0.00 0.00 57.16 57.49 2wdg n GLU 116 Cb 0.06 -1.60 0.18 0.00 1.43 0.00 0.00 31.44 31.52 2wdg n GLU 116 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2wdg h GLU 117 N 0.00 0.00 0.00 3.44 5.08 -1.43 -1.73 114.58 119.94 2wdg h GLU 117 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2wdg h GLU 117 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2wdg h GLU 117 CO 0.00 0.38 -2.04 1.28 -1.00 0.00 0.00 179.01 177.63 2wdg n LEU 118 N -3.29 0.24 -0.25 1.33 4.77 0.21 -3.46 117.00 116.55 2wdg n LEU 118 Ca 0.01 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2wdg n LEU 118 Cb 0.62 0.26 0.07 0.00 -2.33 0.00 0.00 43.42 42.04 2wdg n LEU 118 CO 0.38 0.29 0.98 -0.08 -1.33 0.00 0.00 177.39 177.62 2wdg h GLU 119 N 0.00 1.13 0.02 3.23 4.57 -0.50 -1.21 114.58 121.81 2wdg h GLU 119 Ca -0.31 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2wdg h GLU 119 Cb 1.77 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 2wdg h GLU 119 CO 0.03 0.97 -0.01 0.00 -1.18 0.00 0.00 179.01 178.82 2wdg h ALA 120 N 1.14 -0.03 0.00 2.92 0.00 -1.45 -2.36 119.26 119.48 2wdg h ALA 120 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wdg h ALA 120 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wdg h ALA 120 CO -0.00 -0.39 0.00 -0.11 0.00 0.00 0.00 179.25 178.75 2wdg n LEU 121 N -4.98 0.10 0.00 0.00 0.00 -1.06 -3.54 117.00 107.51 2wdg n LEU 121 Ca -0.08 0.54 0.00 0.00 0.00 0.00 0.00 56.01 56.47 2wdg n LEU 121 Cb 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 43.42 43.03 2wdg n LEU 121 CO 0.33 -0.45 0.04 0.33 0.00 0.00 0.00 177.39 177.64 2wdg n PHE 122 N -1.62 0.00 -0.71 1.96 7.35 -0.48 -4.22 117.46 119.73 2wdg n PHE 122 Ca 0.01 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.54 2wdg n PHE 122 Cb 0.08 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.86 2wdg n PHE 122 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdg n ALA 123 N -0.64 4.65 -3.05 3.13 0.00 -1.17 -4.78 120.51 118.65 2wdg n ALA 123 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 53.44 51.65 2wdg n ALA 123 Cb 0.00 -2.70 -0.07 0.00 0.00 0.00 0.00 19.45 16.68 2wdg n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdg s SER 124 N 2.89 -0.19 0.00 0.00 0.15 -1.24 -5.01 113.70 110.30 2wdg s SER 124 Ca 0.41 -0.14 0.11 0.00 0.70 0.00 0.00 55.95 57.04 2wdg s SER 124 Cb 0.15 0.39 0.68 0.00 -1.71 0.00 0.00 66.02 65.53 2wdg s SER 124 CO -0.02 -0.66 1.20 -0.81 1.20 0.00 0.00 173.24 174.15 2wdg n PRO 125 N 0.45 0.67 0.31 5.44 -0.04 -1.26 -3.45 135.00 137.13 2wdg n PRO 125 Ca -0.18 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.45 2wdg n PRO 125 Cb 0.60 -1.27 0.91 0.00 -0.04 0.00 0.00 33.50 33.70 2wdg n PRO 125 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wdg h GLU 126 N 0.00 0.00 0.00 0.54 5.08 -1.91 0.75 114.58 119.04 2wdg h GLU 126 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wdg h GLU 126 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wdg h GLU 126 CO 0.00 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.12 2wdg n ILE 127 N -2.83 0.00 0.30 3.13 2.08 -1.22 -3.03 119.36 117.78 2wdg n ILE 127 Ca -0.02 0.00 0.14 0.00 0.56 0.00 0.00 62.75 63.43 2wdg n ILE 127 Cb 0.24 -0.37 0.73 0.00 -0.75 0.00 0.00 39.64 39.49 2wdg n ILE 127 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2wdg h GLU 128 N 0.00 0.00 0.00 0.38 4.57 0.22 -3.42 114.58 116.34 2wdg h GLU 128 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2wdg h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wdg h GLU 128 CO 0.00 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.22 2wdg n GLU 129 N -2.72 0.00 -1.84 1.92 1.02 -1.17 -5.16 120.64 112.69 2wdg n GLU 129 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2wdg n GLU 129 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.78 2wdg n GLU 129 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wdg n ARG 130 N 0.00 -5.06 -1.80 3.49 5.12 -1.26 -4.76 116.66 112.39 2wdg n ARG 130 Ca 0.00 3.64 -0.42 0.00 -1.93 0.00 0.00 57.85 59.14 2wdg n ARG 130 Cb 0.00 -3.95 -0.03 0.00 -1.16 0.00 0.00 32.46 27.32 2wdg n ARG 130 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2wdg s PRO 131 N -1.64 4.16 0.05 5.56 0.04 -1.26 -4.81 135.00 137.10 2wdg s PRO 131 Ca 0.00 2.49 0.03 0.00 0.04 0.00 0.00 61.00 63.56 2wdg s PRO 131 Cb 0.00 -3.68 0.16 0.00 0.04 0.00 0.00 34.50 31.01 2wdg s PRO 131 CO 0.00 -0.82 1.05 1.17 0.04 0.00 0.00 177.00 178.44 2wdg n LYS 132 N 5.94 0.02 0.13 4.56 4.81 -1.26 0.12 118.16 132.48 2wdg n LYS 132 Ca 0.17 0.48 0.01 0.00 -0.87 0.00 0.00 58.31 58.11 2wdg n LYS 132 Cb 0.40 -1.61 0.04 0.00 0.02 0.00 0.00 35.03 33.87 2wdg n LYS 132 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2wdg h LYS 133 N 0.00 0.00 0.00 1.64 1.79 -2.00 -3.28 116.57 114.71 2wdg h LYS 133 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2wdg h LYS 133 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2wdg h LYS 133 CO 0.00 0.57 -1.16 0.39 -1.08 0.00 0.00 179.45 178.17 2wdg n GLU 134 N -3.28 1.32 0.39 3.15 -0.58 0.34 -4.21 120.64 117.76 2wdg n GLU 134 Ca 0.01 -0.06 -0.19 0.00 -0.42 0.00 0.00 57.16 56.50 2wdg n GLU 134 Cb 0.74 -1.28 -0.10 0.00 -0.57 0.00 0.00 31.44 30.23 2wdg n GLU 134 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2wdg h GLN 135 N 0.00 -1.09 0.00 3.49 4.20 -0.89 0.66 115.11 121.48 2wdg h GLN 135 Ca 0.00 0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2wdg h GLN 135 Cb 0.52 0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2wdg h GLN 135 CO 0.00 -0.73 0.00 0.28 -0.67 0.00 0.00 178.83 177.71 2wdg n VAL 136 N -5.60 0.75 -0.05 -0.54 0.31 -1.26 -2.44 118.33 109.50 2wdg n VAL 136 Ca -0.14 0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 64.22 2wdg n VAL 136 Cb 0.49 -0.89 -0.13 0.00 -0.91 0.00 0.00 33.84 32.40 2wdg n VAL 136 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdg h ARG 137 N 0.00 0.05 0.00 5.55 1.12 -1.33 -2.37 114.38 117.40 2wdg h ARG 137 Ca 0.00 -0.09 -0.09 0.00 -1.11 0.00 0.00 59.98 58.69 2wdg h ARG 137 Cb 0.29 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 2wdg h ARG 137 CO 0.00 1.04 -0.42 -0.07 -3.11 0.00 0.00 179.97 177.41 2wdg h LEU 138 N -0.88 0.00 -0.32 3.80 3.38 0.38 -2.23 115.31 119.44 2wdg h LEU 138 Ca -0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 2wdg h LEU 138 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2wdg h LEU 138 CO 0.01 0.42 -0.47 0.11 0.09 0.00 0.00 178.44 178.60 2wdg h LYS 139 N 0.00 0.89 -0.60 1.13 1.79 -1.58 1.01 116.57 119.20 2wdg h LYS 139 Ca -0.00 -0.53 0.05 0.00 -2.18 0.00 0.00 60.65 57.99 2wdg h LYS 139 Cb 0.76 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 2wdg h LYS 139 CO 0.06 1.17 0.40 1.25 -1.08 0.00 0.00 179.45 181.24 2wdg h HIS 140 N 0.68 0.62 0.29 -1.35 2.76 -1.08 0.85 115.15 117.92 2wdg h HIS 140 Ca 0.03 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2wdg h HIS 140 Cb 1.08 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2wdg h HIS 140 CO 0.07 0.34 -0.14 1.49 -1.30 0.00 0.00 177.93 178.40 2wdg h GLU 141 N 0.63 -0.38 0.00 5.26 4.81 -0.80 -2.99 114.58 121.11 2wdg h GLU 141 Ca 0.25 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2wdg h GLU 141 Cb 0.21 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2wdg h GLU 141 CO -0.07 -0.21 0.17 1.25 -0.73 0.00 0.00 179.01 179.42 2wdg h LEU 142 N -1.09 0.00 0.00 1.64 5.85 0.14 1.14 115.31 123.00 2wdg h LEU 142 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2wdg h LEU 142 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2wdg h LEU 142 CO 0.07 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.55 2wdg n GLU 143 N -2.30 0.00 -0.15 1.25 -0.58 0.29 -2.63 120.64 116.53 2wdg n GLU 143 Ca -0.01 0.49 -0.10 0.00 -0.42 0.00 0.00 57.16 57.11 2wdg n GLU 143 Cb 0.21 -1.20 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 2wdg n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wdg h ARG 144 N 0.00 0.73 -1.09 3.49 0.11 -1.24 0.56 114.38 116.95 2wdg h ARG 144 Ca 0.00 -0.23 0.31 0.00 0.10 0.00 0.00 59.98 60.17 2wdg h ARG 144 Cb 0.00 -0.07 -0.12 0.00 1.11 0.00 0.00 29.97 30.89 2wdg h ARG 144 CO 0.00 0.80 0.68 1.25 0.10 0.00 0.00 179.97 182.81 2wdg h LEU 145 N 0.57 0.44 0.05 0.08 7.12 0.12 1.13 115.31 124.82 2wdg h LEU 145 Ca 0.12 0.12 -0.30 0.00 0.13 0.00 0.00 57.88 57.95 2wdg h LEU 145 Cb 0.46 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 2wdg h LEU 145 CO 0.02 -0.02 -1.65 -0.61 -0.13 0.00 0.00 178.44 176.05 2wdg h GLN 146 N 0.33 0.10 -0.75 1.25 4.15 -1.19 -3.15 115.11 115.85 2wdg h GLN 146 Ca 0.68 -0.17 0.10 0.00 0.77 0.00 0.00 58.65 60.03 2wdg h GLN 146 Cb 1.75 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 29.43 2wdg h GLN 146 CO -0.40 0.80 0.38 -0.22 -1.93 0.00 0.00 178.83 177.46 2wdg h LYS 147 N 0.03 0.62 0.06 1.69 3.64 0.67 0.16 116.57 123.44 2wdg h LYS 147 Ca -0.27 -0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 58.72 2wdg h LYS 147 Cb 1.99 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.64 2wdg h LYS 147 CO 0.10 0.41 -2.00 0.66 -2.27 0.00 0.00 179.45 176.35 2wdg n TYR 148 N -4.84 0.92 1.21 1.91 4.01 -0.05 -4.32 117.16 116.00 2wdg n TYR 148 Ca 0.12 0.24 0.07 0.00 -0.16 0.00 0.00 57.90 58.18 2wdg n TYR 148 Cb 0.30 -1.14 0.25 0.00 -0.31 0.00 0.00 39.34 38.44 2wdg n TYR 148 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2wdg n LEU 149 N -3.26 1.45 -0.30 7.72 4.77 -1.18 -4.55 117.00 121.66 2wdg n LEU 149 Ca -0.29 -0.68 -0.08 0.00 -0.03 0.00 0.00 56.01 54.94 2wdg n LEU 149 Cb 1.05 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.93 2wdg n LEU 149 CO 0.42 0.34 0.48 -1.20 -1.33 0.00 0.00 177.39 176.10 2wdg n SER 150 N 0.24 -0.74 -1.89 -1.43 7.64 0.04 -1.42 113.62 116.04 2wdg n SER 150 Ca 0.12 1.54 0.02 0.00 1.01 0.00 0.00 58.87 61.56 2wdg n SER 150 Cb 0.26 -0.31 0.35 0.00 -1.01 0.00 0.00 64.21 63.50 2wdg n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdg n GLY 151 N -1.18 3.17 0.02 0.23 0.00 -1.26 -4.19 105.19 101.99 2wdg n GLY 151 Ca 0.01 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.17 2wdg n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdg n PHE 152 N 0.31 0.00 -0.33 1.61 -0.00 -0.51 -1.30 117.46 117.23 2wdg n PHE 152 Ca 0.32 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.91 2wdg n PHE 152 Cb 1.24 -0.37 0.34 0.00 -0.00 0.00 0.00 39.48 40.69 2wdg n PHE 152 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdg h ARG 153 N 0.00 0.57 -0.02 -4.13 3.08 -1.65 -3.05 114.38 109.18 2wdg h ARG 153 Ca -0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2wdg h ARG 153 Cb 0.86 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2wdg h ARG 153 CO 0.00 0.37 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.14 2wdg h LEU 154 N 0.58 -0.22 -9.50 3.04 3.38 -1.87 -3.43 115.31 107.31 2wdg h LEU 154 Ca 0.60 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 58.06 2wdg h LEU 154 Cb 1.07 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.91 2wdg h LEU 154 CO -0.46 -0.06 0.66 -0.76 0.09 0.00 0.00 178.44 177.91 2wdg s LEU 155 N -5.79 4.36 -0.31 1.67 2.01 -1.15 -4.94 118.68 114.52 2wdg s LEU 155 Ca -0.02 2.15 0.17 0.00 0.01 0.00 0.00 54.13 56.44 2wdg s LEU 155 Cb 0.01 -3.58 0.47 0.00 0.01 0.00 0.00 46.19 43.10 2wdg s LEU 155 CO 0.08 -0.57 1.05 0.29 1.01 0.00 0.00 176.35 178.21 2wdg n LYS 156 N 4.10 1.93 -3.02 1.70 5.02 -1.26 -4.95 118.16 121.67 2wdg n LYS 156 Ca 0.10 -3.61 0.05 0.00 -2.02 0.00 0.00 58.31 52.83 2wdg n LYS 156 Cb 0.44 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2wdg n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wdg s ARG 157 N -3.46 0.03 0.00 1.97 3.52 -1.26 -5.12 118.95 114.62 2wdg s ARG 157 Ca 0.33 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2wdg s ARG 157 Cb 0.40 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.80 2wdg s ARG 157 CO -0.02 -0.06 0.00 1.28 -0.81 0.00 0.00 175.30 175.70 2wdg n LEU 158 N 4.61 0.00 -4.16 -0.88 4.32 -1.26 -4.76 117.00 114.87 2wdg n LEU 158 Ca 0.09 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.72 2wdg n LEU 158 Cb 0.60 0.00 0.05 0.00 -1.62 0.00 0.00 43.42 42.46 2wdg n LEU 158 CO -0.18 0.00 -0.85 -2.65 -1.22 0.00 0.00 177.39 172.49 2wdg n PRO 159 N 0.00 -0.02 -0.12 3.23 -0.02 -1.26 -4.84 135.00 131.97 2wdg n PRO 159 Ca 0.00 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.60 2wdg n PRO 159 Cb 0.00 -1.24 0.30 0.00 -0.02 0.00 0.00 33.50 32.54 2wdg n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdg n ASP 160 N 2.08 2.43 0.00 2.55 8.00 -0.42 -4.94 116.55 126.24 2wdg n ASP 160 Ca 0.02 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.69 2wdg n ASP 160 Cb 0.53 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2wdg n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdg n ALA 161 N 0.83 0.00 -3.51 2.24 0.00 -1.26 -4.28 120.51 114.53 2wdg n ALA 161 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 2wdg n ALA 161 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 2wdg n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2wdg s ILE 162 N -2.02 -0.02 -0.13 0.00 -4.36 -1.08 -2.81 121.20 110.78 2wdg s ILE 162 Ca 0.00 0.06 -0.08 0.00 -0.26 0.00 0.00 60.65 60.36 2wdg s ILE 162 Cb 0.00 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 43.12 2wdg s ILE 162 CO 0.00 0.02 0.16 0.12 0.24 0.00 0.00 174.94 175.48 2wdg s PHE 163 N 0.84 3.57 -0.07 1.37 5.99 -0.00 -1.53 117.98 128.16 2wdg s PHE 163 Ca -0.05 0.53 0.01 0.00 0.00 0.00 0.00 56.93 57.41 2wdg s PHE 163 Cb -0.06 -2.01 0.02 0.00 0.00 0.00 0.00 43.02 40.97 2wdg s PHE 163 CO -0.06 0.64 -0.07 0.08 -0.00 0.00 0.00 175.22 175.81 2wdg s VAL 164 N -0.76 0.77 0.06 3.12 1.01 -0.71 0.32 120.40 124.22 2wdg s VAL 164 Ca 0.14 -0.22 -0.37 0.00 0.00 0.00 0.00 61.98 61.54 2wdg s VAL 164 Cb -0.12 -0.79 -0.20 0.00 0.00 0.00 0.00 36.38 35.27 2wdg s VAL 164 CO 0.04 0.29 1.56 -0.37 0.00 0.00 0.00 175.10 176.62 2wdg h VAL 165 N 6.13 0.00 -2.95 2.92 -1.51 -1.57 -0.13 116.25 119.14 2wdg h VAL 165 Ca -0.32 0.00 -0.53 0.00 -1.23 0.00 0.00 66.70 64.62 2wdg h VAL 165 Cb 1.15 0.00 -0.40 0.00 -2.13 0.00 0.00 31.29 29.91 2wdg h VAL 165 CO 0.43 0.00 -0.77 -0.62 -1.23 0.00 0.00 177.57 175.38 2wdg s ASP 166 N -4.05 3.42 0.00 4.19 3.68 -1.25 -4.28 116.67 118.37 2wdg s ASP 166 Ca -0.19 -1.22 0.00 0.00 2.13 0.00 0.00 52.55 53.26 2wdg s ASP 166 Cb 0.02 -0.46 0.00 0.00 -1.45 0.00 0.00 42.92 41.03 2wdg s ASP 166 CO 0.59 -0.41 0.14 -0.81 0.13 0.00 0.00 175.17 174.81 2wdg n PRO 167 N 5.15 0.00 -0.05 4.34 -0.04 -1.26 -2.79 135.00 140.35 2wdg n PRO 167 Ca -0.06 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2wdg n PRO 167 Cb 0.43 -0.58 -0.01 0.00 -0.04 0.00 0.00 33.50 33.30 2wdg n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wdg n THR 168 N -0.29 -0.08 -0.24 0.52 -2.24 -1.26 0.18 114.28 110.87 2wdg n THR 168 Ca 0.00 0.55 0.06 0.00 -2.27 0.00 0.00 64.05 62.40 2wdg n THR 168 Cb 0.00 -0.71 0.13 0.00 -2.10 0.00 0.00 70.33 67.65 2wdg n THR 168 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wdg n LYS 169 N -3.11 -0.06 -0.37 -0.78 0.00 -1.12 0.88 118.16 113.59 2wdg n LYS 169 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 58.31 59.45 2wdg n LYS 169 Cb 0.03 -1.62 0.17 0.00 0.00 0.00 0.00 35.03 33.62 2wdg n LYS 169 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wdg n GLU 170 N -5.05 1.40 0.00 1.64 4.71 0.24 -4.74 120.64 118.84 2wdg n GLU 170 Ca 0.13 -2.92 0.00 0.00 -0.01 0.00 0.00 57.16 54.35 2wdg n GLU 170 Cb 0.41 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.32 2wdg n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wdg n ALA 171 N -1.23 0.88 0.22 0.62 0.00 0.48 0.36 120.51 121.84 2wdg n ALA 171 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.72 2wdg n ALA 171 Cb 0.67 -0.84 0.66 0.00 0.00 0.00 0.00 19.45 19.95 2wdg n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wdg h ILE 172 N 0.00 0.94 0.04 0.00 5.03 -1.83 0.32 117.51 122.00 2wdg h ILE 172 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2wdg h ILE 172 Cb 0.15 0.95 0.00 0.00 -3.03 0.00 0.00 36.82 34.89 2wdg h ILE 172 CO 0.00 0.00 -0.02 0.00 -0.68 0.00 0.00 178.15 177.45 2wdg h ALA 173 N 1.95 -0.05 -1.38 1.87 0.00 -0.46 -2.41 119.26 118.78 2wdg h ALA 173 Ca 0.04 -0.13 0.46 0.00 0.00 0.00 0.00 54.91 55.28 2wdg h ALA 173 Cb 0.18 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 2wdg h ALA 173 CO -0.00 -0.05 0.89 0.28 0.00 0.00 0.00 179.25 180.37 2wdg h VAL 174 N -1.00 0.07 0.17 0.00 2.07 -1.32 1.33 116.25 117.57 2wdg h VAL 174 Ca -0.01 -0.02 -0.24 0.00 0.82 0.00 0.00 66.70 67.26 2wdg h VAL 174 Cb 0.28 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2wdg h VAL 174 CO 0.01 0.01 -1.06 -0.09 0.02 0.00 0.00 177.57 176.46 2wdg h ARG 175 N 0.05 0.35 0.00 1.57 2.43 -0.49 -0.60 114.38 117.69 2wdg h ARG 175 Ca 0.85 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2wdg h ARG 175 Cb 2.74 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 32.51 2wdg h ARG 175 CO -0.42 1.29 0.00 1.49 -1.51 0.00 0.00 179.97 180.82 2wdg h GLU 176 N -0.24 0.00 0.00 0.20 4.81 0.11 -2.45 114.58 117.02 2wdg h GLU 176 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2wdg h GLU 176 Cb 1.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.17 2wdg h GLU 176 CO 0.17 0.00 -0.25 0.00 -0.73 0.00 0.00 179.01 178.20 2wdg h ALA 177 N 2.06 0.00 -0.99 2.92 0.00 0.13 -3.36 119.26 120.01 2wdg h ALA 177 Ca 0.00 -0.25 0.29 0.00 0.00 0.00 0.00 54.91 54.95 2wdg h ALA 177 Cb 0.41 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2wdg h ALA 177 CO 0.00 0.25 0.85 -0.09 0.00 0.00 0.00 179.25 180.26 2wdg h ARG 178 N -0.98 0.00 0.00 0.00 9.65 -1.03 0.63 114.38 122.65 2wdg h ARG 178 Ca 0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.75 2wdg h ARG 178 Cb 0.25 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 2wdg h ARG 178 CO 0.00 0.00 -0.60 -0.22 2.80 0.00 0.00 179.97 181.95 2wdg h LYS 179 N 0.00 0.00 -0.08 0.20 3.64 -1.60 -3.03 116.57 115.70 2wdg h LYS 179 Ca 0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2wdg h LYS 179 Cb 2.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.99 2wdg h LYS 179 CO -0.00 0.60 0.00 1.28 -2.27 0.00 0.00 179.45 179.06 2wdg n LEU 180 N -3.50 2.02 -0.38 5.20 4.77 0.22 -4.93 117.00 120.39 2wdg n LEU 180 Ca 0.00 -0.73 -0.05 0.00 -0.03 0.00 0.00 56.01 55.20 2wdg n LEU 180 Cb 0.68 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2wdg n LEU 180 CO 0.41 0.36 -0.05 0.49 -1.33 0.00 0.00 177.39 177.28 2wdg n PHE 181 N 0.56 0.00 -2.51 -1.77 3.72 -0.99 -5.00 117.46 111.47 2wdg n PHE 181 Ca 0.17 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.14 2wdg n PHE 181 Cb 0.42 -1.23 -0.02 0.00 -0.94 0.00 0.00 39.48 37.71 2wdg n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2wdg s ILE 182 N -2.12 4.37 0.16 4.37 1.01 -1.18 -4.97 121.20 122.84 2wdg s ILE 182 Ca 0.00 1.63 -0.34 0.00 0.00 0.00 0.00 60.65 61.94 2wdg s ILE 182 Cb 0.00 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 38.15 2wdg s ILE 182 CO 0.00 -0.28 1.41 -2.65 0.00 0.00 0.00 174.94 173.41 2wdg n PRO 183 N 6.76 1.69 -3.70 2.79 -0.02 -1.26 -4.38 135.00 136.87 2wdg n PRO 183 Ca 0.13 0.61 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 2wdg n PRO 183 Cb 0.46 -2.27 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 2wdg n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wdg s VAL 184 N 0.39 4.14 -0.17 -1.45 1.01 -1.26 -2.62 120.40 120.44 2wdg s VAL 184 Ca 0.77 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 2wdg s VAL 184 Cb -0.77 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 2wdg s VAL 184 CO 0.45 -0.10 -0.05 -0.63 0.00 0.00 0.00 175.10 174.77 2wdg s ILE 185 N 1.49 3.62 0.13 2.22 1.01 -0.58 -1.15 121.20 127.94 2wdg s ILE 185 Ca 0.01 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 2wdg s ILE 185 Cb -0.19 -2.59 0.08 0.00 0.01 0.00 0.00 42.46 39.77 2wdg s ILE 185 CO 0.04 0.47 0.66 0.00 0.00 0.00 0.00 174.94 176.11 2wdg s ALA 186 N 0.69 -1.65 -0.31 9.38 0.00 -0.68 -1.74 121.76 127.46 2wdg s ALA 186 Ca -0.03 0.60 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 2wdg s ALA 186 Cb -0.15 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2wdg s ALA 186 CO 0.02 -0.75 0.21 -1.17 0.00 0.00 0.00 175.76 174.07 2wdg s LEU 187 N -2.69 4.25 0.00 0.00 1.98 -0.06 -0.62 118.68 121.54 2wdg s LEU 187 Ca 0.02 -0.26 0.00 0.00 -2.89 0.00 0.00 54.13 50.99 2wdg s LEU 187 Cb -0.01 -2.11 0.00 0.00 0.66 0.00 0.00 46.19 44.73 2wdg s LEU 187 CO -0.12 -0.15 0.00 0.00 -1.89 0.00 0.00 176.35 174.19 2wdg n ALA 188 N 5.07 0.00 -3.00 5.97 0.00 -0.64 -3.90 120.51 124.02 2wdg n ALA 188 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2wdg n ALA 188 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wdg n ALA 188 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdg n ASP 189 N -0.74 0.00 0.31 0.00 5.75 -1.26 -0.93 116.55 119.68 2wdg n ASP 189 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.96 2wdg n ASP 189 Cb 0.00 0.00 1.00 0.00 -1.03 0.00 0.00 41.12 41.09 2wdg n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2wdg h THR 190 N 0.00 0.34 0.00 2.12 1.35 -1.90 -1.41 112.91 113.41 2wdg h THR 190 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2wdg h THR 190 Cb 0.00 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 2wdg h THR 190 CO 0.00 0.01 0.00 -0.67 -0.25 0.00 0.00 175.52 174.61 2wdg n ASP 191 N -3.55 0.00 -1.41 5.36 4.64 -1.26 -3.33 116.55 116.99 2wdg n ASP 191 Ca -0.03 -0.04 -0.02 0.00 -1.38 0.00 0.00 54.79 53.32 2wdg n ASP 191 Cb 0.10 -0.18 0.00 0.00 -1.04 0.00 0.00 41.12 40.00 2wdg n ASP 191 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2wdg n SER 192 N -1.18 -0.42 -4.15 1.67 7.64 -0.53 -4.87 113.62 111.79 2wdg n SER 192 Ca 0.06 -1.37 -0.28 0.00 1.01 0.00 0.00 58.87 58.29 2wdg n SER 192 Cb 0.07 0.72 -0.16 0.00 -1.01 0.00 0.00 64.21 63.82 2wdg n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2wdg s ASP 193 N -1.46 2.38 0.00 6.43 3.84 -1.26 -4.40 116.67 122.19 2wdg s ASP 193 Ca 0.05 -0.40 0.00 0.00 -0.00 0.00 0.00 52.55 52.19 2wdg s ASP 193 Cb -0.01 -0.83 0.00 0.00 -1.38 0.00 0.00 42.92 40.70 2wdg s ASP 193 CO 0.03 0.14 0.09 -0.81 -0.00 0.00 0.00 175.17 174.63 2wdg n PRO 194 N 3.33 0.00 0.00 2.11 -0.04 -1.26 -4.22 135.00 134.92 2wdg n PRO 194 Ca -0.19 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2wdg n PRO 194 Cb 0.53 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 2wdg n PRO 194 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wdg n ASP 195 N -0.10 0.00 -1.51 3.54 9.92 -1.26 -0.50 116.55 126.64 2wdg n ASP 195 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 2wdg n ASP 195 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 2wdg n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdg n LEU 196 N 0.00 4.82 -3.84 0.64 -0.00 -1.26 -4.78 117.00 112.59 2wdg n LEU 196 Ca 0.00 -2.44 -0.23 0.00 -0.00 0.00 0.00 56.01 53.34 2wdg n LEU 196 Cb 0.00 -0.78 -0.17 0.00 -0.00 0.00 0.00 43.42 42.47 2wdg n LEU 196 CO 0.00 0.84 -0.40 -0.69 -0.00 0.00 0.00 177.39 177.14 2wdg s VAL 197 N -1.16 0.58 0.03 1.47 1.01 0.34 -4.99 120.40 117.69 2wdg s VAL 197 Ca 0.18 -0.04 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 2wdg s VAL 197 Cb 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 36.38 35.71 2wdg s VAL 197 CO 0.02 0.28 1.35 0.44 0.00 0.00 0.00 175.10 177.19 2wdg h ASP 198 N 8.00 0.30 -3.35 3.32 3.45 -1.44 -3.41 116.42 123.29 2wdg h ASP 198 Ca -0.26 -0.46 -0.59 0.00 0.43 0.00 0.00 57.03 56.15 2wdg h ASP 198 Cb 1.13 -0.08 -0.40 0.00 -0.56 0.00 0.00 39.33 39.42 2wdg h ASP 198 CO 0.35 0.70 -0.76 -0.31 -1.57 0.00 0.00 179.24 177.64 2wdg s TYR 199 N -4.38 1.98 -0.08 4.55 1.51 -0.66 -5.00 117.35 115.27 2wdg s TYR 199 Ca -0.14 -1.72 -0.18 0.00 -1.01 0.00 0.00 57.07 54.02 2wdg s TYR 199 Cb 0.05 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.16 2wdg s TYR 199 CO 0.73 -0.81 0.49 0.42 -1.11 0.00 0.00 175.55 175.27 2wdg s ILE 200 N 1.53 5.10 -0.59 2.71 1.01 -1.26 -1.68 121.20 128.02 2wdg s ILE 200 Ca 0.04 0.99 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2wdg s ILE 200 Cb -0.18 -3.82 0.15 0.00 0.01 0.00 0.00 42.46 38.62 2wdg s ILE 200 CO -0.15 0.39 0.36 -0.63 0.00 0.00 0.00 174.94 174.91 2wdg s ILE 201 N 0.18 3.09 -0.18 2.92 -1.09 0.21 -4.40 121.20 121.92 2wdg s ILE 201 Ca 0.27 -3.30 -0.29 0.00 -2.23 0.00 0.00 60.65 55.09 2wdg s ILE 201 Cb -0.16 -3.07 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 2wdg s ILE 201 CO 0.12 -0.86 1.43 -2.16 -1.23 0.00 0.00 174.94 172.25 2wdg s PRO 202 N -0.36 4.06 0.00 2.79 0.04 -1.26 -1.62 135.00 138.65 2wdg s PRO 202 Ca 0.18 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2wdg s PRO 202 Cb -0.22 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.43 2wdg s PRO 202 CO -0.03 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2wdg n GLY 203 N 4.08 -1.02 3.36 0.56 0.00 -0.11 -4.79 105.19 107.27 2wdg n GLY 203 Ca 0.16 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2wdg n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wdg n ASN 204 N 0.00 -2.10 -0.04 1.61 5.15 -1.26 -4.15 115.26 114.48 2wdg n ASN 204 Ca 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2wdg n ASN 204 Cb 0.00 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 2wdg n ASN 204 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2wdg n ASP 205 N -2.14 0.00 -0.00 1.20 5.75 -1.26 -4.71 116.55 115.39 2wdg n ASP 205 Ca 0.03 -1.02 0.01 0.00 -0.01 0.00 0.00 54.79 53.80 2wdg n ASP 205 Cb 0.58 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.65 2wdg n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2wdg n ASP 206 N 0.00 4.42 -4.49 -1.12 9.92 -1.26 -4.76 116.55 119.26 2wdg n ASP 206 Ca 0.00 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.92 2wdg n ASP 206 Cb 0.50 1.08 -0.12 0.00 -0.64 0.00 0.00 41.12 41.94 2wdg n ASP 206 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdg s ALA 207 N -2.17 2.97 -0.74 2.24 0.00 -1.26 -4.71 121.76 118.09 2wdg s ALA 207 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2wdg s ALA 207 Cb 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2wdg s ALA 207 CO 0.10 0.23 0.85 -0.89 0.00 0.00 0.00 175.76 176.06 2wdg n ILE 208 N 3.48 1.42 0.02 0.00 5.41 -1.23 -2.49 119.36 125.97 2wdg n ILE 208 Ca -0.17 0.49 -0.03 0.00 1.00 0.00 0.00 62.75 64.03 2wdg n ILE 208 Cb 0.52 -1.49 -0.02 0.00 -0.71 0.00 0.00 39.64 37.94 2wdg n ILE 208 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2wdg h ARG 209 N 0.00 -0.14 -0.19 0.38 2.47 -1.92 0.65 114.38 115.62 2wdg h ARG 209 Ca 0.00 0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 2wdg h ARG 209 Cb 0.27 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2wdg h ARG 209 CO 0.00 -0.09 -0.06 0.77 0.56 0.00 0.00 179.97 181.15 2wdg h SER 210 N -0.15 0.38 -0.45 7.04 0.02 -1.61 -2.67 113.55 116.11 2wdg h SER 210 Ca 0.00 -0.38 0.09 0.00 -0.84 0.00 0.00 61.79 60.66 2wdg h SER 210 Cb 0.15 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 2wdg h SER 210 CO -0.07 0.67 -0.04 0.40 -1.14 0.00 0.00 176.83 176.66 2wdg h ILE 211 N 0.09 0.62 0.16 3.27 2.04 -1.53 0.31 117.51 122.48 2wdg h ILE 211 Ca 0.05 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2wdg h ILE 211 Cb 0.51 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2wdg h ILE 211 CO 0.02 0.01 -0.08 -0.61 0.00 0.00 0.00 178.15 177.50 2wdg h GLN 212 N 0.07 -0.21 0.11 2.37 -0.00 0.32 0.54 115.11 118.30 2wdg h GLN 212 Ca 0.22 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.90 2wdg h GLN 212 Cb 0.33 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.84 2wdg h GLN 212 CO -0.40 -0.07 -0.19 1.25 0.00 0.00 0.00 178.83 179.41 2wdg h LEU 213 N -0.31 -0.54 -0.34 -2.39 6.46 -1.07 0.26 115.31 117.38 2wdg h LEU 213 Ca -0.02 0.06 -0.15 0.00 -0.12 0.00 0.00 57.88 57.65 2wdg h LEU 213 Cb 0.25 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2wdg h LEU 213 CO 0.04 -0.28 -0.38 0.40 -0.62 0.00 0.00 178.44 177.60 2wdg h ILE 214 N -0.37 1.28 -0.03 4.05 1.08 -0.35 -2.41 117.51 120.76 2wdg h ILE 214 Ca 0.03 -1.55 -0.08 0.00 -0.39 0.00 0.00 64.86 62.87 2wdg h ILE 214 Cb 0.39 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2wdg h ILE 214 CO -0.11 0.51 -0.34 -0.07 -0.69 0.00 0.00 178.15 177.45 2wdg h LEU 215 N 0.64 0.05 0.00 1.44 3.38 0.15 -1.97 115.31 119.00 2wdg h LEU 215 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wdg h LEU 215 Cb 0.97 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2wdg h LEU 215 CO 0.09 0.39 0.00 -0.24 0.09 0.00 0.00 178.44 178.77 2wdg n SER 216 N -4.12 0.00 0.32 -0.43 2.88 0.92 -1.61 113.62 111.58 2wdg n SER 216 Ca -0.02 0.63 0.10 0.00 -1.33 0.00 0.00 58.87 58.25 2wdg n SER 216 Cb 0.39 -0.13 0.55 0.00 -0.75 0.00 0.00 64.21 64.28 2wdg n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2wdg h ARG 217 N 0.00 0.00 0.06 -1.46 2.47 -1.48 0.25 114.38 114.21 2wdg h ARG 217 Ca 0.00 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.56 2wdg h ARG 217 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 2wdg h ARG 217 CO 0.00 0.00 -0.65 0.00 0.56 0.00 0.00 179.97 179.88 2wdg h ALA 218 N 0.94 -0.00 0.00 0.04 0.00 -1.24 -3.23 119.26 115.76 2wdg h ALA 218 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2wdg h ALA 218 Cb 1.04 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wdg h ALA 218 CO 0.00 0.33 0.00 0.28 0.00 0.00 0.00 179.25 179.86 2wdg h VAL 219 N -0.28 0.00 0.53 0.00 2.07 0.46 -2.65 116.25 116.39 2wdg h VAL 219 Ca -0.10 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2wdg h VAL 219 Cb 1.42 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2wdg h VAL 219 CO 0.12 0.00 -0.26 0.44 0.02 0.00 0.00 177.57 177.90 2wdg h ASP 220 N 0.00 -0.60 -0.25 0.57 3.32 -1.46 -2.99 116.42 115.00 2wdg h ASP 220 Ca 0.00 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.14 2wdg h ASP 220 Cb 0.52 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2wdg h ASP 220 CO 0.00 -0.25 0.29 -0.07 -1.72 0.00 0.00 179.24 177.49 2wdg h LEU 221 N -1.07 0.00 0.43 1.55 -0.00 -1.57 0.38 115.31 115.02 2wdg h LEU 221 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 2wdg h LEU 221 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2wdg h LEU 221 CO 0.12 0.00 -0.36 0.40 -0.00 0.00 0.00 178.44 178.60 2wdg h ILE 222 N 0.00 0.00 0.00 1.22 2.04 -1.33 -2.99 117.51 116.45 2wdg h ILE 222 Ca 0.12 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.85 2wdg h ILE 222 Cb 0.70 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2wdg h ILE 222 CO -0.00 0.00 -0.68 0.16 0.00 0.00 0.00 178.15 177.63 2wdg h ILE 223 N -0.77 1.03 -0.82 -0.67 3.07 -1.30 -3.33 117.51 114.73 2wdg h ILE 223 Ca -0.06 -2.48 0.04 0.00 1.55 0.00 0.00 64.86 63.92 2wdg h ILE 223 Cb 0.65 2.50 -0.05 0.00 -0.27 0.00 0.00 36.82 39.65 2wdg h ILE 223 CO -0.01 0.59 0.54 -0.61 -1.05 0.00 0.00 178.15 177.61 2wdg h GLN 224 N 0.00 0.95 -1.00 0.16 4.15 -0.28 1.47 115.11 120.56 2wdg h GLN 224 Ca -0.02 -0.06 -0.35 0.00 0.77 0.00 0.00 58.65 59.00 2wdg h GLN 224 Cb 1.49 -0.21 -0.21 0.00 0.21 0.00 0.00 27.48 28.76 2wdg h GLN 224 CO 0.08 0.63 0.44 0.00 -1.93 0.00 0.00 178.83 178.05 2wdg n ALA 225 N -2.42 4.59 -0.39 3.38 0.00 -1.13 -2.90 120.51 121.65 2wdg n ALA 225 Ca 0.11 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.60 2wdg n ALA 225 Cb 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2wdg n ALA 225 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdg n ARG 226 N -0.61 0.00 -0.28 0.00 0.63 0.22 -2.98 116.66 113.64 2wdg n ARG 226 Ca 0.40 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 2wdg n ARG 226 Cb 1.29 -0.10 0.00 0.00 0.45 0.00 0.00 32.46 34.10 2wdg n ARG 226 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdg n GLY 227 N 0.00 -1.03 0.00 5.14 0.00 0.44 -5.02 105.19 104.73 2wdg n GLY 227 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2wdg n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdg n GLY 228 N 1.57 0.98 2.79 -0.02 0.00 -1.26 -4.84 105.19 104.41 2wdg n GLY 228 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 2wdg n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdg n VAL 229 N 0.00 0.18 -3.95 1.61 0.31 -1.26 -4.95 118.33 110.28 2wdg n VAL 229 Ca 0.00 -0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 2wdg n VAL 229 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 2wdg n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wdg n VAL 230 N 1.06 0.00 -2.86 2.52 0.24 -1.26 -5.12 118.33 112.91 2wdg n VAL 230 Ca 0.16 -0.39 -0.34 0.00 -2.04 0.00 0.00 64.34 61.72 2wdg n VAL 230 Cb 0.08 -0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.30 2wdg n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2wdg s GLU 231 N -2.33 4.31 -0.62 7.34 -1.05 -1.26 -4.93 118.70 120.17 2wdg s GLU 231 Ca 0.02 1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 55.66 2wdg s GLU 231 Cb -0.00 -2.43 -0.13 0.00 -0.44 0.00 0.00 34.13 31.13 2wdg s GLU 231 CO 0.01 0.10 2.45 -2.30 0.95 0.00 0.00 175.26 176.48 2wdg n PRO 232 N -0.18 0.73 -0.92 -4.83 -0.02 -1.26 -4.90 135.00 123.61 2wdg n PRO 232 Ca 0.05 0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 2wdg n PRO 232 Cb 0.53 -2.59 0.07 0.00 -0.02 0.00 0.00 33.50 31.49 2wdg n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wdg n SER 233 N 12.70 -4.35 -4.62 2.55 2.88 -1.26 -4.77 113.62 116.74 2wdg n SER 233 Ca 0.47 0.18 -0.46 0.00 -1.33 0.00 0.00 58.87 57.73 2wdg n SER 233 Cb 0.30 -0.86 -0.03 0.00 -0.75 0.00 0.00 64.21 62.87 2wdg n SER 233 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wdg n PRO 234 N 1.04 1.55 0.08 -1.46 -0.04 -1.26 -4.89 135.00 130.03 2wdg n PRO 234 Ca 0.01 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 2wdg n PRO 234 Cb 0.58 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2wdg n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wdg n SER 235 N 1.83 0.55 -4.56 3.54 3.41 -1.26 -4.80 113.62 112.33 2wdg n SER 235 Ca 0.12 0.25 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 2wdg n SER 235 Cb 0.29 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2wdg n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wdg n TYR 236 N -3.43 4.66 -0.17 7.33 4.02 -1.26 -4.73 117.16 123.58 2wdg n TYR 236 Ca 0.00 -2.86 0.09 0.00 -0.01 0.00 0.00 57.90 55.12 2wdg n TYR 236 Cb 0.03 -2.63 0.39 0.00 -0.02 0.00 0.00 39.34 37.12 2wdg n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdg h ALA 237 N 7.53 1.80 0.00 -0.72 0.00 -2.02 -3.37 119.26 122.48 2wdg h ALA 237 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wdg h ALA 237 Cb 0.87 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2wdg h ALA 237 CO 1.46 0.06 0.00 1.47 0.00 0.00 0.00 179.25 182.25 2wdg n LEU 238 N -4.49 0.00 -4.28 0.00 -0.00 -1.26 -5.09 117.00 101.89 2wdg n LEU 238 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.02 2wdg n LEU 238 Cb 0.30 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.62 2wdg n LEU 238 CO 0.33 0.00 1.40 0.52 -0.00 0.00 0.00 177.39 179.64 2wdg n VAL 239 N 0.00 0.00 0.00 1.47 0.31 -1.26 -4.06 118.33 114.79 2wdg n VAL 239 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2wdg n VAL 239 Cb 0.00 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2wdg n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdg n GLN 240 N 5.57 0.00 0.00 5.55 6.02 -1.26 -5.09 117.38 128.17 2wdg n GLN 240 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 2wdg n GLN 240 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 2wdg n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14