#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofe s TYR 2 N 0.00 2.42 -0.02 4.78 1.51 -0.68 -4.86 117.35 120.50 2ofe s TYR 2 Ca 0.00 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.74 2ofe s TYR 2 Cb 0.00 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2ofe s TYR 2 CO 0.00 0.00 -0.24 0.21 -1.11 0.00 0.00 175.55 174.41 2ofe s LYS 3 N -0.61 2.02 -0.12 -0.62 2.20 -0.19 -0.38 119.74 122.03 2ofe s LYS 3 Ca 0.10 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 2ofe s LYS 3 Cb -0.10 -1.91 0.02 0.00 -1.51 0.00 0.00 37.83 34.33 2ofe s LYS 3 CO -0.00 0.49 -0.11 0.42 -0.36 0.00 0.00 175.35 175.79 2ofe s ILE 4 N -0.50 1.29 -0.24 5.43 1.01 0.75 -0.80 121.20 128.15 2ofe s ILE 4 Ca 0.07 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 2ofe s ILE 4 Cb -0.10 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2ofe s ILE 4 CO -0.00 0.41 0.07 -0.89 0.00 0.00 0.00 174.94 174.52 2ofe s THR 5 N 1.50 4.39 -0.17 2.92 2.01 0.08 -0.49 115.64 125.87 2ofe s THR 5 Ca 0.03 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2ofe s THR 5 Cb -0.13 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 2ofe s THR 5 CO -0.08 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.42 2ofe s VAL 6 N 1.38 3.10 -0.19 3.82 1.01 0.10 -0.85 120.40 128.78 2ofe s VAL 6 Ca 0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2ofe s VAL 6 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2ofe s VAL 6 CO 0.04 0.48 0.01 -0.13 0.00 0.00 0.00 175.10 175.50 2ofe s ARG 7 N 0.92 3.74 -0.25 2.72 0.52 -0.34 -1.51 118.95 124.74 2ofe s ARG 7 Ca -0.02 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 54.60 2ofe s ARG 7 Cb -0.15 -3.09 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 2ofe s ARG 7 CO -0.00 0.14 0.25 0.08 0.02 0.00 0.00 175.30 175.79 2ofe s VAL 8 N 0.68 5.28 -0.31 3.52 1.01 -1.26 -0.39 120.40 128.92 2ofe s VAL 8 Ca 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2ofe s VAL 8 Cb -0.14 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2ofe s VAL 8 CO 0.02 0.26 0.07 -0.31 0.00 0.00 0.00 175.10 175.14 2ofe s TYR 9 N 1.51 3.21 -0.29 5.22 1.51 0.58 -4.97 117.35 124.12 2ofe s TYR 9 Ca 0.11 -1.39 -0.12 0.00 -1.01 0.00 0.00 57.07 54.65 2ofe s TYR 9 Cb -0.15 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 2ofe s TYR 9 CO 0.08 -0.70 0.23 -0.65 -1.11 0.00 0.00 175.55 173.40 2ofe s GLN 10 N 1.40 3.85 -0.01 -0.62 -0.21 -1.26 -0.45 119.66 122.36 2ofe s GLN 10 Ca -0.01 -0.34 0.13 0.00 0.02 0.00 0.00 55.36 55.16 2ofe s GLN 10 Cb -0.19 -3.70 -0.16 0.00 1.00 0.00 0.00 33.01 29.97 2ofe s GLN 10 CO 0.02 -0.26 0.46 0.25 -2.12 0.00 0.00 175.29 173.63 2ofe n THR 11 N 5.09 0.00 -4.03 -0.19 -2.24 -0.88 -4.92 114.28 107.11 2ofe n THR 11 Ca -0.13 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 2ofe n THR 11 Cb 0.51 0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 69.33 2ofe n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2ofe s ASN 12 N -2.64 4.56 0.00 3.42 3.84 -1.26 -4.99 114.94 117.88 2ofe s ASN 12 Ca 0.02 -1.75 0.03 0.00 0.21 0.00 0.00 52.86 51.37 2ofe s ASN 12 Cb 0.09 -1.56 0.16 0.00 -0.55 0.00 0.00 41.25 39.40 2ofe s ASN 12 CO 0.53 -0.28 0.71 -2.65 -2.79 0.00 0.00 177.10 172.62 2ofe n PRO 13 N 4.37 0.08 -0.00 0.43 -0.02 -1.26 -2.92 135.00 135.66 2ofe n PRO 13 Ca -0.05 0.06 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2ofe n PRO 13 Cb 0.42 -1.50 0.77 0.00 -0.02 0.00 0.00 33.50 33.17 2ofe n PRO 13 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2ofe n ASN 14 N -1.06 0.22 -3.65 2.55 0.23 -1.26 -4.83 115.26 107.46 2ofe n ASN 14 Ca 0.02 -1.20 -0.10 0.00 -0.53 0.00 0.00 54.58 52.77 2ofe n ASN 14 Cb 0.01 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 2ofe n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ofe s ALA 15 N -1.99 -1.17 -0.07 -2.53 0.00 -1.15 -5.05 121.76 109.80 2ofe s ALA 15 Ca 0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.34 2ofe s ALA 15 Cb 0.19 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.19 2ofe s ALA 15 CO 0.32 -0.81 0.05 0.12 0.00 0.00 0.00 175.76 175.44 2ofe s PHE 16 N -3.84 0.29 0.01 0.00 5.36 -1.26 -4.86 117.98 113.69 2ofe s PHE 16 Ca 0.06 0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 2ofe s PHE 16 Cb -0.01 -0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 42.00 2ofe s PHE 16 CO -0.05 -0.29 0.22 -0.06 -1.46 0.00 0.00 175.22 173.58 2ofe s PHE 17 N 2.10 3.55 0.03 10.12 0.40 -1.26 -3.85 117.98 129.06 2ofe s PHE 17 Ca 0.04 0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.78 2ofe s PHE 17 Cb -0.13 -1.88 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 2ofe s PHE 17 CO -0.05 0.62 -0.00 -3.38 0.70 0.00 0.00 175.22 173.11 2ofe s HIS 18 N -1.36 0.29 0.15 0.36 -3.43 -0.40 -4.91 115.29 106.00 2ofe s HIS 18 Ca 0.29 -0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 53.63 2ofe s HIS 18 Cb -0.13 -0.22 -0.08 0.00 -1.43 0.00 0.00 32.58 30.73 2ofe s HIS 18 CO 0.19 -0.26 1.31 -1.25 -2.00 0.00 0.00 174.74 172.73 2ofe s PRO 19 N -2.09 4.39 0.00 -0.38 0.04 -1.26 -1.33 135.00 134.36 2ofe s PRO 19 Ca -0.10 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2ofe s PRO 19 Cb -0.05 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2ofe s PRO 19 CO -0.03 -0.29 0.33 1.33 0.04 0.00 0.00 177.00 178.38 2ofe n VAL 20 N 3.19 0.00 -3.63 -0.36 0.24 0.11 -4.93 118.33 112.95 2ofe n VAL 20 Ca 0.08 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 2ofe n VAL 20 Cb 0.43 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.86 2ofe n VAL 20 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ofe s GLU 21 N -0.19 0.69 -0.16 7.34 2.12 -1.18 -4.96 118.70 122.36 2ofe s GLU 21 Ca 0.00 0.77 -0.05 0.00 0.36 0.00 0.00 54.97 56.05 2ofe s GLU 21 Cb 0.00 0.34 0.06 0.00 0.26 0.00 0.00 34.13 34.79 2ofe s GLU 21 CO 0.00 -0.09 0.11 0.15 -0.54 0.00 0.00 175.26 174.89 2ofe s LYS 22 N 0.21 0.07 0.22 4.30 1.02 -1.26 -1.21 119.74 123.10 2ofe s LYS 22 Ca 0.01 0.02 0.11 0.00 0.02 0.00 0.00 55.97 56.12 2ofe s LYS 22 Cb -0.05 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 2ofe s LYS 22 CO -0.02 -0.63 -0.15 0.95 -0.92 0.00 0.00 175.35 174.57 2ofe s THR 23 N 2.18 2.79 -0.07 2.17 -4.23 -0.18 -4.96 115.64 113.34 2ofe s THR 23 Ca 0.03 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 2ofe s THR 23 Cb -0.16 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.30 2ofe s THR 23 CO -0.09 -0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.03 2ofe s VAL 24 N -1.97 0.70 0.60 2.29 1.01 -1.26 -1.68 120.40 120.08 2ofe s VAL 24 Ca 0.26 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 2ofe s VAL 24 Cb -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2ofe s VAL 24 CO 0.14 0.29 1.07 0.86 0.00 0.00 0.00 175.10 177.45 2ofe s TRP 25 N 1.30 2.92 -0.76 5.22 -0.00 -0.28 -4.94 118.94 122.39 2ofe s TRP 25 Ca -0.04 1.52 0.26 0.00 -0.00 0.00 0.00 56.10 57.84 2ofe s TRP 25 Cb -0.14 -3.05 0.79 0.00 -0.00 0.00 0.00 33.47 31.08 2ofe s TRP 25 CO -0.02 -1.21 1.72 0.36 -0.00 0.00 0.00 176.95 177.80 2ofe n LYS 26 N -2.02 0.23 -1.27 5.86 2.85 -1.26 -4.25 118.16 118.30 2ofe n LYS 26 Ca 0.09 0.16 -0.30 0.00 -1.05 0.00 0.00 58.31 57.22 2ofe n LYS 26 Cb 0.53 -1.74 0.13 0.00 -0.65 0.00 0.00 35.03 33.30 2ofe n LYS 26 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2ofe s TYR 27 N -3.09 2.40 -1.49 5.58 2.02 -1.26 -3.57 117.35 117.94 2ofe s TYR 27 Ca 0.10 1.22 -0.12 0.00 -0.37 0.00 0.00 57.07 57.90 2ofe s TYR 27 Cb 0.13 -3.16 0.07 0.00 -0.40 0.00 0.00 41.96 38.60 2ofe s TYR 27 CO 0.61 -2.30 0.97 0.00 -1.57 0.00 0.00 175.55 173.26 2ofe n ALA 28 N -3.81 -1.25 -1.84 3.71 0.00 -1.26 -0.84 120.51 115.22 2ofe n ALA 28 Ca 0.07 0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 2ofe n ALA 28 Cb 0.56 -4.54 -0.05 0.00 0.00 0.00 0.00 19.45 15.42 2ofe n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ofe n ASN 29 N -2.81 -5.00 0.00 0.00 3.02 -1.26 -2.64 115.26 106.57 2ofe n ASN 29 Ca 0.03 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2ofe n ASN 29 Cb 0.54 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 2ofe n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ofe n GLY 30 N -0.95 2.76 0.00 7.41 0.00 -0.02 -4.51 105.19 109.87 2ofe n GLY 30 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2ofe n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ofe n GLY 31 N 0.00 -1.02 3.22 -0.02 0.00 -1.26 -1.59 105.19 104.53 2ofe n GLY 31 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 2ofe n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ofe s THR 32 N -3.00 0.01 -0.18 2.61 -4.23 -0.11 -4.97 115.64 105.77 2ofe s THR 32 Ca 0.00 -0.10 -0.08 0.00 -1.18 0.00 0.00 61.69 60.33 2ofe s THR 32 Cb 0.00 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 2ofe s THR 32 CO 0.00 -0.05 0.10 0.26 -0.54 0.00 0.00 174.62 174.38 2ofe s TRP 33 N -0.13 3.36 0.35 3.99 0.52 -1.26 -1.12 118.94 124.65 2ofe s TRP 33 Ca -0.03 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.38 2ofe s TRP 33 Cb -0.03 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2ofe s TRP 33 CO 0.01 0.29 0.18 0.95 0.02 0.00 0.00 176.95 178.41 2ofe s THR 34 N 0.15 0.32 -0.07 2.01 -4.23 0.19 -4.98 115.64 109.04 2ofe s THR 34 Ca 0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2ofe s THR 34 Cb -0.12 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.29 2ofe s THR 34 CO -0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 2ofe s ILE 35 N -3.42 1.26 -0.06 2.99 1.01 -1.26 -1.01 121.20 120.71 2ofe s ILE 35 Ca 0.33 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 2ofe s ILE 35 Cb 0.03 -1.14 0.03 0.00 0.01 0.00 0.00 42.46 41.39 2ofe s ILE 35 CO 0.19 0.38 -0.00 -0.89 0.00 0.00 0.00 174.94 174.62 2ofe s THR 36 N 0.61 0.36 -1.42 2.92 2.01 -0.76 -4.89 115.64 114.47 2ofe s THR 36 Ca -0.15 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 2ofe s THR 36 Cb -0.16 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 71.88 2ofe s THR 36 CO 0.04 0.24 0.59 0.47 -0.69 0.00 0.00 174.62 175.27 2ofe n ASP 37 N 4.84 -1.30 0.00 3.53 8.00 -1.26 -1.19 116.55 129.17 2ofe n ASP 37 Ca -0.12 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2ofe n ASP 37 Cb 0.50 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.19 2ofe n ASP 37 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ofe n ASP 38 N -2.96 -3.82 -4.84 -2.24 9.92 -1.26 -4.99 116.55 106.35 2ofe n ASP 38 Ca -0.24 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.67 2ofe n ASP 38 Cb 0.65 -2.23 -0.06 0.00 -0.64 0.00 0.00 41.12 38.83 2ofe n ASP 38 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2ofe s GLN 39 N -1.13 3.32 -0.20 -1.24 -0.21 -0.33 -4.79 119.66 115.06 2ofe s GLN 39 Ca 0.00 -0.26 -0.22 0.00 0.02 0.00 0.00 55.36 54.90 2ofe s GLN 39 Cb 0.00 -3.07 -0.02 0.00 1.00 0.00 0.00 33.01 30.93 2ofe s GLN 39 CO 0.00 0.73 0.71 -1.01 -2.12 0.00 0.00 175.29 173.60 2ofe s HIS 40 N -1.08 3.37 -0.19 0.91 3.76 -0.57 -1.83 115.29 119.65 2ofe s HIS 40 Ca 0.18 1.02 -0.01 0.00 -0.15 0.00 0.00 55.06 56.11 2ofe s HIS 40 Cb -0.12 -2.89 0.01 0.00 1.11 0.00 0.00 32.58 30.69 2ofe s HIS 40 CO 0.08 -0.24 -0.14 0.08 -0.85 0.00 0.00 174.74 173.67 2ofe s VAL 41 N 2.17 2.58 -0.22 -0.90 1.01 -0.18 0.01 120.40 124.87 2ofe s VAL 41 Ca 0.32 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2ofe s VAL 41 Cb -0.16 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2ofe s VAL 41 CO 0.10 0.50 0.06 -0.22 0.00 0.00 0.00 175.10 175.54 2ofe s LEU 42 N 1.31 3.53 -0.09 3.92 2.96 0.35 -0.64 118.68 130.03 2ofe s LEU 42 Ca 0.04 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.85 2ofe s LEU 42 Cb -0.14 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2ofe s LEU 42 CO -0.08 0.04 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.95 2ofe s THR 43 N 1.17 2.99 0.06 3.68 2.01 -0.27 -0.18 115.64 125.11 2ofe s THR 43 Ca 0.04 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.40 2ofe s THR 43 Cb -0.14 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2ofe s THR 43 CO 0.03 0.56 -0.18 -0.04 -0.69 0.00 0.00 174.62 174.30 2ofe s MET 44 N -0.14 1.10 0.60 4.92 -1.94 0.49 -0.93 119.30 123.39 2ofe s MET 44 Ca -0.01 -0.96 0.38 0.00 -1.71 0.00 0.00 55.69 53.39 2ofe s MET 44 Cb -0.14 -1.21 1.79 0.00 2.01 0.00 0.00 34.83 37.29 2ofe s MET 44 CO 0.03 0.29 2.14 0.78 -0.01 0.00 0.00 175.02 178.26 2ofe h GLY 45 N 4.57 0.00 0.00 -0.03 0.00 -1.05 -1.80 103.07 104.75 2ofe h GLY 45 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2ofe h GLY 45 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2ofe n GLY 46 N -0.42 -1.25 3.77 4.60 0.00 -1.14 -4.04 105.19 106.71 2ofe n GLY 46 Ca -0.01 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 2ofe n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ofe s SER 47 N -3.64 6.59 0.00 1.61 0.15 -1.26 -4.33 113.70 112.82 2ofe s SER 47 Ca 0.00 2.26 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2ofe s SER 47 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2ofe s SER 47 CO 0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2ofe n GLY 48 N 0.57 1.18 0.88 9.45 0.00 0.39 -4.68 105.19 112.99 2ofe n GLY 48 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 2ofe n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2ofe n THR 49 N -0.63 0.00 -3.77 2.61 5.66 -1.22 -4.69 114.28 112.24 2ofe n THR 49 Ca 0.00 -0.62 -0.03 0.00 -3.05 0.00 0.00 64.05 60.34 2ofe n THR 49 Cb 0.00 0.22 -0.01 0.00 -1.55 0.00 0.00 70.33 68.99 2ofe n THR 49 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2ofe s SER 50 N -1.66 -0.15 0.01 1.09 1.04 -1.26 -2.13 113.70 110.64 2ofe s SER 50 Ca 0.05 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.03 2ofe s SER 50 Cb 0.00 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 2ofe s SER 50 CO 0.04 -0.91 -0.01 -0.83 0.98 0.00 0.00 173.24 172.51 2ofe s GLY 51 N -2.99 0.16 -0.12 7.32 0.00 0.04 -1.13 107.32 110.60 2ofe s GLY 51 Ca 0.13 -0.39 0.01 0.00 0.00 0.00 0.00 44.72 44.47 2ofe s GLY 51 CO 0.03 -0.45 -0.16 -1.59 0.00 0.00 0.00 173.10 170.92 2ofe s THR 52 N -1.07 2.76 -0.20 0.90 2.01 -0.68 -1.48 115.64 117.89 2ofe s THR 52 Ca -0.12 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 2ofe s THR 52 Cb -0.07 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2ofe s THR 52 CO -0.01 0.54 0.08 -0.76 -0.69 0.00 0.00 174.62 173.78 2ofe s LEU 53 N 0.33 3.84 -0.14 4.42 1.43 -0.06 -1.01 118.68 127.48 2ofe s LEU 53 Ca -0.13 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2ofe s LEU 53 Cb -0.16 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2ofe s LEU 53 CO 0.07 0.14 0.02 -0.60 0.23 0.00 0.00 176.35 176.20 2ofe s ARG 54 N 0.57 3.59 0.07 1.70 3.52 -0.35 -0.58 118.95 127.48 2ofe s ARG 54 Ca 0.04 -0.41 0.08 0.00 -0.13 0.00 0.00 55.73 55.31 2ofe s ARG 54 Cb -0.13 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.22 2ofe s ARG 54 CO 0.01 0.40 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.68 2ofe s PHE 55 N -0.03 2.59 -0.00 5.12 0.40 -0.10 0.08 117.98 126.03 2ofe s PHE 55 Ca 0.04 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 2ofe s PHE 55 Cb -0.13 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 41.98 2ofe s PHE 55 CO 0.02 0.33 -0.05 -1.58 0.70 0.00 0.00 175.22 174.64 2ofe s HIS 56 N -1.04 0.41 0.11 0.36 2.46 -0.45 -1.94 115.29 115.20 2ofe s HIS 56 Ca 0.17 -0.08 0.06 0.00 0.47 0.00 0.00 55.06 55.68 2ofe s HIS 56 Cb -0.11 -0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 2ofe s HIS 56 CO 0.08 -0.01 -0.04 0.00 -2.47 0.00 0.00 174.74 172.30 2ofe s ALA 57 N -0.10 3.15 -1.08 1.58 0.00 0.11 -1.27 121.76 124.14 2ofe s ALA 57 Ca 0.02 -1.21 0.14 0.00 0.00 0.00 0.00 51.96 50.90 2ofe s ALA 57 Cb -0.02 -1.04 0.60 0.00 0.00 0.00 0.00 23.12 22.66 2ofe s ALA 57 CO -0.00 0.64 1.42 -0.40 0.00 0.00 0.00 175.76 177.42 2ofe n ASP 58 N 0.50 0.00 -0.22 0.00 5.68 -1.25 -1.08 116.55 120.19 2ofe n ASP 58 Ca -0.12 0.42 0.13 0.00 -0.50 0.00 0.00 54.79 54.73 2ofe n ASP 58 Cb 0.53 -0.46 0.66 0.00 -1.14 0.00 0.00 41.12 40.71 2ofe n ASP 58 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2ofe n ASN 59 N -1.46 0.67 0.00 -1.12 0.23 -1.26 -4.93 115.26 107.39 2ofe n ASN 59 Ca 0.04 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 2ofe n ASN 59 Cb 0.15 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2ofe n ASN 59 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2ofe n GLY 60 N 1.03 0.96 3.77 4.83 0.00 -0.24 -5.08 105.19 110.47 2ofe n GLY 60 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2ofe n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ofe s GLU 61 N -1.00 3.17 0.16 1.61 2.02 -1.25 -4.83 118.70 118.59 2ofe s GLU 61 Ca 0.00 1.54 -0.23 0.00 0.02 0.00 0.00 54.97 56.29 2ofe s GLU 61 Cb 0.00 -1.99 0.06 0.00 0.10 0.00 0.00 34.13 32.31 2ofe s GLU 61 CO 0.00 -0.98 0.67 -1.54 0.02 0.00 0.00 175.26 173.43 2ofe s SER 62 N -2.04 -0.47 0.13 -0.19 1.04 -1.26 -0.71 113.70 110.19 2ofe s SER 62 Ca 0.71 -0.13 -0.24 0.00 0.48 0.00 0.00 55.95 56.77 2ofe s SER 62 Cb -0.23 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.56 2ofe s SER 62 CO 0.32 -1.00 0.69 0.72 0.98 0.00 0.00 173.24 174.95 2ofe s PHE 63 N -3.69 -0.45 -0.06 5.02 -0.71 -0.82 -4.07 117.98 113.20 2ofe s PHE 63 Ca 0.04 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.16 2ofe s PHE 63 Cb -0.02 0.57 -0.03 0.00 -1.21 0.00 0.00 43.02 42.33 2ofe s PHE 63 CO -0.08 -0.81 -0.03 0.95 -1.34 0.00 0.00 175.22 173.90 2ofe s THR 64 N -3.60 3.98 -0.20 -4.49 -4.23 0.45 -0.92 115.64 106.63 2ofe s THR 64 Ca 0.03 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 2ofe s THR 64 Cb -0.01 -2.68 0.03 0.00 1.34 0.00 0.00 72.50 71.18 2ofe s THR 64 CO -0.10 0.54 -0.17 0.00 -0.54 0.00 0.00 174.62 174.35 2ofe s ALA 65 N -0.90 2.36 -0.09 3.99 0.00 0.25 -1.69 121.76 125.68 2ofe s ALA 65 Ca 0.14 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2ofe s ALA 65 Cb -0.11 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2ofe s ALA 65 CO 0.04 -0.57 -0.11 0.99 0.00 0.00 0.00 175.76 176.11 2ofe s THR 66 N 1.26 3.34 -0.02 0.00 2.01 -0.19 -0.89 115.64 121.16 2ofe s THR 66 Ca 0.01 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.46 2ofe s THR 66 Cb -0.15 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 2ofe s THR 66 CO -0.11 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.90 2ofe s PHE 67 N -0.37 1.18 0.08 4.92 0.40 -0.55 -1.92 117.98 121.72 2ofe s PHE 67 Ca 0.04 -0.25 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 2ofe s PHE 67 Cb -0.12 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.65 2ofe s PHE 67 CO 0.02 -0.05 0.36 0.41 0.70 0.00 0.00 175.22 176.66 2ofe n GLY 68 N 2.92 1.13 2.98 4.36 0.00 -0.95 -0.78 105.19 114.85 2ofe n GLY 68 Ca -0.15 -1.02 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 2ofe n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ofe s VAL 69 N -2.43 1.06 -0.12 1.61 1.01 -0.91 -0.87 120.40 119.75 2ofe s VAL 69 Ca 0.08 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2ofe s VAL 69 Cb -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2ofe s VAL 69 CO 0.02 0.35 -0.15 -2.28 0.00 0.00 0.00 175.10 173.04 2ofe s HIS 70 N 1.00 2.04 -1.51 5.22 5.04 0.36 -0.46 115.29 126.98 2ofe s HIS 70 Ca -0.08 -1.01 -0.08 0.00 -1.54 0.00 0.00 55.06 52.35 2ofe s HIS 70 Cb -0.15 -1.48 0.06 0.00 0.04 0.00 0.00 32.58 31.06 2ofe s HIS 70 CO -0.00 -0.53 0.66 -1.71 -2.34 0.00 0.00 174.74 170.82 2ofe n ASN 71 N 4.33 -2.09 0.00 9.88 4.05 -1.26 -1.97 115.26 128.20 2ofe n ASN 71 Ca -0.18 -0.95 0.00 0.00 0.45 0.00 0.00 54.58 53.90 2ofe n ASN 71 Cb 0.51 -3.23 0.00 0.00 1.23 0.00 0.00 39.78 38.29 2ofe n ASN 71 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2ofe n TYR 72 N -4.44 0.00 -4.49 1.20 4.01 -1.26 -4.99 117.16 107.18 2ofe n TYR 72 Ca -0.13 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.34 2ofe n TYR 72 Cb 0.60 -0.66 -0.13 0.00 -0.31 0.00 0.00 39.34 38.84 2ofe n TYR 72 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2ofe s LYS 73 N -0.62 1.35 0.67 -0.72 1.02 -0.83 -4.83 119.74 115.79 2ofe s LYS 73 Ca 0.00 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 54.70 2ofe s LYS 73 Cb 0.00 -1.62 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 2ofe s LYS 73 CO 0.00 0.39 1.16 -0.98 -0.92 0.00 0.00 175.35 175.01 2ofe s ARG 74 N -1.65 2.59 0.11 1.68 3.03 -1.26 -0.49 118.95 122.96 2ofe s ARG 74 Ca 0.09 1.61 -0.01 0.00 2.03 0.00 0.00 55.73 59.46 2ofe s ARG 74 Cb -0.10 -1.90 -0.04 0.00 -1.03 0.00 0.00 34.95 31.88 2ofe s ARG 74 CO 0.04 -1.46 0.02 1.67 -1.13 0.00 0.00 175.30 174.43 2ofe s TRP 75 N -2.06 0.80 0.12 5.89 1.48 -0.05 -3.83 118.94 121.29 2ofe s TRP 75 Ca 0.72 -1.14 -0.17 0.00 -1.06 0.00 0.00 56.10 54.44 2ofe s TRP 75 Cb -0.26 -0.48 0.04 0.00 -1.16 0.00 0.00 33.47 31.62 2ofe s TRP 75 CO 0.41 -0.42 0.43 0.00 -4.06 0.00 0.00 176.95 173.31 2ofe s ASP 77 N -2.68 -0.57 -0.05 0.00 2.15 -0.81 -4.68 116.67 110.03 2ofe s ASP 77 Ca 0.01 0.43 0.04 0.00 0.43 0.00 0.00 52.55 53.47 2ofe s ASP 77 Cb 0.01 0.53 -0.00 0.00 -0.30 0.00 0.00 42.92 43.16 2ofe s ASP 77 CO -0.11 -0.70 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.38 2ofe s ILE 78 N -1.97 1.55 -0.10 4.11 1.01 -1.26 -1.02 121.20 123.52 2ofe s ILE 78 Ca -0.08 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2ofe s ILE 78 Cb -0.01 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2ofe s ILE 78 CO 0.03 0.44 -0.18 -0.69 0.00 0.00 0.00 174.94 174.54 2ofe s VAL 79 N 0.11 1.66 0.00 2.92 1.01 -0.68 -4.98 120.40 120.44 2ofe s VAL 79 Ca -0.06 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2ofe s VAL 79 Cb -0.13 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2ofe s VAL 79 CO 0.03 0.47 0.00 1.07 0.00 0.00 0.00 175.10 176.68 2ofe n THR 80 N 3.88 0.00 -3.93 3.92 5.66 -1.26 -0.41 114.28 122.14 2ofe n THR 80 Ca -0.20 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 2ofe n THR 80 Cb 0.52 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.32 2ofe n THR 80 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2ofe n ASN 81 N -1.62 -4.18 -4.73 1.09 3.02 -1.26 -4.87 115.26 102.71 2ofe n ASN 81 Ca 0.00 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 2ofe n ASN 81 Cb 0.00 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 2ofe n ASN 81 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ofe s LEU 82 N -7.22 4.39 0.76 3.41 1.43 -1.26 -5.02 118.68 115.17 2ofe s LEU 82 Ca 0.59 2.52 -0.11 0.00 -1.03 0.00 0.00 54.13 56.10 2ofe s LEU 82 Cb -0.30 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.36 2ofe s LEU 82 CO 0.84 -0.68 1.08 0.00 0.23 0.00 0.00 176.35 177.82 2ofe s ALA 83 N 0.49 2.35 0.53 4.21 0.00 -1.26 -4.94 121.76 123.14 2ofe s ALA 83 Ca 0.62 0.06 0.19 0.00 0.00 0.00 0.00 51.96 52.83 2ofe s ALA 83 Cb -0.40 -3.19 1.37 0.00 0.00 0.00 0.00 23.12 20.90 2ofe s ALA 83 CO 0.37 -1.60 2.14 0.00 0.00 0.00 0.00 175.76 176.67 2ofe h ALA 84 N -1.00 2.01 -0.31 0.00 0.00 -2.03 -1.44 119.26 116.50 2ofe h ALA 84 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ofe h ALA 84 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ofe h ALA 84 CO 0.56 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 2ofe n ASP 85 N -4.41 2.00 -4.14 0.00 5.75 -1.26 -4.47 116.55 110.02 2ofe n ASP 85 Ca -0.01 -1.89 -0.42 0.00 -0.01 0.00 0.00 54.79 52.46 2ofe n ASP 85 Cb 0.18 -0.20 -0.01 0.00 -1.03 0.00 0.00 41.12 40.05 2ofe n ASP 85 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ofe n GLU 86 N 0.56 3.71 -1.85 0.11 1.02 -0.54 -4.93 120.64 118.73 2ofe n GLU 86 Ca 0.14 -4.51 -0.29 0.00 -0.02 0.00 0.00 57.16 52.48 2ofe n GLU 86 Cb 0.34 -2.50 0.12 0.00 -0.02 0.00 0.00 31.44 29.38 2ofe n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ofe s THR 87 N -1.92 1.99 0.22 2.62 -4.23 -1.26 -4.74 115.64 108.32 2ofe s THR 87 Ca 0.31 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.74 2ofe s THR 87 Cb -0.03 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 71.03 2ofe s THR 87 CO -0.01 0.00 1.85 1.23 -0.54 0.00 0.00 174.62 177.15 2ofe h GLY 88 N -1.30 1.14 1.69 3.99 0.00 -1.96 -2.04 103.07 104.61 2ofe h GLY 88 Ca -0.46 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 2ofe h GLY 88 CO 0.58 0.29 -0.09 0.00 0.00 0.00 0.00 176.54 177.32 2ofe h MET 89 N 0.93 0.38 0.12 4.80 -0.00 -1.93 0.63 114.93 119.86 2ofe h MET 89 Ca 0.32 -0.09 -0.01 0.00 -0.00 0.00 0.00 59.70 59.93 2ofe h MET 89 Cb 0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 2ofe h MET 89 CO -0.13 0.48 -0.06 0.28 -0.00 0.00 0.00 176.91 177.48 2ofe h VAL 90 N 0.36 1.00 -0.42 -0.10 2.07 -1.76 -2.83 116.25 114.56 2ofe h VAL 90 Ca 0.07 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2ofe h VAL 90 Cb 0.38 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2ofe h VAL 90 CO 0.02 0.11 0.24 0.40 0.02 0.00 0.00 177.57 178.36 2ofe h ILE 91 N -0.38 1.15 -0.65 4.57 1.08 -1.04 -2.81 117.51 119.44 2ofe h ILE 91 Ca -0.02 -0.36 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 2ofe h ILE 91 Cb 0.31 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 2ofe h ILE 91 CO 0.03 0.15 0.39 -1.13 -0.69 0.00 0.00 178.15 176.89 2ofe h ASN 92 N 0.55 0.61 0.06 1.72 -0.73 -0.89 -1.86 115.58 115.04 2ofe h ASN 92 Ca 0.15 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.26 2ofe h ASN 92 Cb 0.03 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 2ofe h ASN 92 CO -0.03 0.42 -0.21 -0.61 -0.37 0.00 0.00 177.43 176.64 2ofe h GLN 93 N 0.75 0.27 0.00 6.67 4.15 -1.39 -2.93 115.11 122.63 2ofe h GLN 93 Ca 0.27 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2ofe h GLN 93 Cb 0.07 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 2ofe h GLN 93 CO -0.13 0.47 -0.03 1.96 -1.93 0.00 0.00 178.83 179.17 2ofe h GLN 94 N 0.25 0.00 0.00 1.69 4.20 -1.07 -1.39 115.11 118.79 2ofe h GLN 94 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2ofe h GLN 94 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2ofe h GLN 94 CO 0.03 0.03 0.00 0.66 -0.67 0.00 0.00 178.83 178.89 2ofe n TYR 95 N -4.00 0.00 -0.57 2.96 4.01 -1.11 -0.68 117.16 117.77 2ofe n TYR 95 Ca -0.03 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.75 2ofe n TYR 95 Cb 0.12 -0.45 0.05 0.00 -0.31 0.00 0.00 39.34 38.75 2ofe n TYR 95 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2ofe n TYR 96 N -1.45 0.00 0.00 -0.72 4.01 -0.52 -3.97 117.16 114.51 2ofe n TYR 96 Ca 0.02 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 57.13 2ofe n TYR 96 Cb 0.06 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2ofe n TYR 96 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2ofe n SER 97 N -0.79 0.00 -4.60 7.72 3.41 -0.95 -5.08 113.62 113.32 2ofe n SER 97 Ca 0.06 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.26 2ofe n SER 97 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2ofe n SER 97 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2ofe s GLN 98 N -1.00 3.95 0.22 4.33 0.74 0.15 -4.98 119.66 123.07 2ofe s GLN 98 Ca 0.00 0.31 -0.08 0.00 0.05 0.00 0.00 55.36 55.64 2ofe s GLN 98 Cb 0.00 -3.70 0.33 0.00 1.10 0.00 0.00 33.01 30.74 2ofe s GLN 98 CO 0.00 -0.50 1.72 -0.22 -0.55 0.00 0.00 175.29 175.74 2ofe h LYS 99 N 8.12 0.34 -0.56 1.67 1.63 -1.97 -0.48 116.57 125.33 2ofe h LYS 99 Ca -0.27 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.46 2ofe h LYS 99 Cb 1.12 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 2ofe h LYS 99 CO 0.78 0.23 0.17 -2.95 -3.45 0.00 0.00 179.45 174.23 2ofe h ASN 100 N 0.35 0.77 -0.25 4.20 -1.07 -1.93 -0.54 115.58 117.10 2ofe h ASN 100 Ca 0.34 -0.12 -0.09 0.00 0.07 0.00 0.00 56.30 56.50 2ofe h ASN 100 Cb 0.48 -0.20 -0.00 0.00 -2.07 0.00 0.00 38.32 36.53 2ofe h ASN 100 CO -0.37 0.73 -0.21 0.03 0.07 0.00 0.00 177.43 177.68 2ofe h ARG 101 N 0.81 0.57 -0.59 4.14 3.08 -1.53 -2.23 114.38 118.63 2ofe h ARG 101 Ca 0.18 -0.29 0.09 0.00 0.07 0.00 0.00 59.98 60.03 2ofe h ARG 101 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 2ofe h ARG 101 CO -0.01 0.87 0.22 0.93 -1.07 0.00 0.00 179.97 180.92 2ofe h GLU 102 N 0.29 0.40 -0.57 0.04 5.08 -0.77 -1.11 114.58 117.93 2ofe h GLU 102 Ca 0.04 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2ofe h GLU 102 Cb 0.75 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2ofe h GLU 102 CO 0.05 0.26 0.08 0.93 -1.00 0.00 0.00 179.01 179.34 2ofe h GLU 103 N 0.41 0.91 -0.28 2.33 5.08 -1.03 -0.22 114.58 121.78 2ofe h GLU 103 Ca 0.30 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2ofe h GLU 103 Cb 0.35 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2ofe h GLU 103 CO -0.29 0.85 0.16 0.00 -1.00 0.00 0.00 179.01 178.74 2ofe h ALA 104 N 1.22 0.36 -0.29 3.43 0.00 -0.78 -2.40 119.26 120.80 2ofe h ALA 104 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ofe h ALA 104 Cb 0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2ofe h ALA 104 CO 0.01 -0.13 0.10 -0.09 0.00 0.00 0.00 179.25 179.14 2ofe h ARG 105 N 0.35 0.23 0.00 0.00 2.43 -0.84 -2.88 114.38 113.66 2ofe h ARG 105 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2ofe h ARG 105 Cb 0.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2ofe h ARG 105 CO -0.02 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 178.98 2ofe n GLU 106 N -5.03 0.20 0.20 0.20 1.02 -0.13 -1.74 120.64 115.36 2ofe n GLU 106 Ca -0.00 0.43 0.14 0.00 -0.02 0.00 0.00 57.16 57.71 2ofe n GLU 106 Cb 0.10 -1.88 0.63 0.00 -0.02 0.00 0.00 31.44 30.27 2ofe n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ofe h ARG 107 N 0.00 0.00 -6.18 3.49 3.08 -1.20 -3.47 114.38 110.10 2ofe h ARG 107 Ca 0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 2ofe h ARG 107 Cb 0.36 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.43 2ofe h ARG 107 CO 0.00 0.00 -0.81 1.04 -1.07 0.00 0.00 179.97 179.13 2ofe n GLN 108 N -2.55 -5.03 -2.38 0.04 6.02 -0.71 -4.90 117.38 107.87 2ofe n GLN 108 Ca 0.01 0.60 -0.41 0.00 -0.01 0.00 0.00 57.00 57.19 2ofe n GLN 108 Cb 0.20 -5.24 -0.03 0.00 1.02 0.00 0.00 30.24 26.19 2ofe n GLN 108 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ofe s LEU 109 N -6.89 4.45 0.00 1.08 1.43 -1.25 -4.68 118.68 112.82 2ofe s LEU 109 Ca 0.21 2.22 0.25 0.00 -1.03 0.00 0.00 54.13 55.79 2ofe s LEU 109 Cb -0.11 -3.61 0.49 0.00 0.03 0.00 0.00 46.19 42.99 2ofe s LEU 109 CO 0.82 -0.37 1.40 -1.54 0.23 0.00 0.00 176.35 176.89 2ofe n SER 110 N 2.55 1.71 -3.68 2.29 3.41 -1.26 -3.07 113.62 115.57 2ofe n SER 110 Ca 0.04 -1.35 -0.09 0.00 -0.26 0.00 0.00 58.87 57.21 2ofe n SER 110 Cb 0.45 0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 2ofe n SER 110 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2ofe s ASN 111 N -2.33 -0.59 -0.18 4.04 3.04 -1.26 -0.35 114.94 117.30 2ofe s ASN 111 Ca 0.25 1.03 -0.16 0.00 0.04 0.00 0.00 52.86 54.02 2ofe s ASN 111 Cb 0.19 0.97 0.05 0.00 -1.54 0.00 0.00 41.25 40.92 2ofe s ASN 111 CO 0.47 -0.21 0.49 -0.47 -3.04 0.00 0.00 177.10 174.34 2ofe s TYR 112 N 1.58 -0.55 0.06 0.43 5.04 -0.20 -5.01 117.35 118.69 2ofe s TYR 112 Ca -0.09 1.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 2ofe s TYR 112 Cb -0.08 0.20 -0.03 0.00 0.35 0.00 0.00 41.96 42.40 2ofe s TYR 112 CO -0.14 -0.27 -0.06 -1.83 -1.34 0.00 0.00 175.55 171.91 2ofe s GLU 113 N 0.37 0.59 0.09 4.97 -1.05 -1.26 -0.63 118.70 121.78 2ofe s GLU 113 Ca -0.01 -0.99 -0.22 0.00 -0.15 0.00 0.00 54.97 53.60 2ofe s GLU 113 Cb -0.04 -0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.61 2ofe s GLU 113 CO -0.01 -0.02 0.53 0.54 0.95 0.00 0.00 175.26 177.25 2ofe s VAL 114 N -2.53 0.03 0.07 1.83 0.11 -0.60 -4.99 120.40 114.31 2ofe s VAL 114 Ca -0.01 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 58.86 2ofe s VAL 114 Cb -0.02 -1.02 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2ofe s VAL 114 CO -0.03 -0.12 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.06 2ofe s LYS 115 N -2.99 2.57 0.82 1.54 1.02 -1.26 -0.94 119.74 120.50 2ofe s LYS 115 Ca -0.02 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.12 2ofe s LYS 115 Cb -0.00 -2.55 0.17 0.00 -0.52 0.00 0.00 37.83 34.94 2ofe s LYS 115 CO -0.06 0.56 1.13 0.27 -0.92 0.00 0.00 175.35 176.33 2ofe n ASN 116 N 0.83 0.97 0.29 2.83 0.23 -0.37 -4.94 115.26 115.10 2ofe n ASN 116 Ca -0.12 -1.94 0.17 0.00 -0.53 0.00 0.00 54.58 52.16 2ofe n ASN 116 Cb 0.52 -0.78 0.87 0.00 -2.08 0.00 0.00 39.78 38.31 2ofe n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ofe h ALA 117 N -0.99 1.10 -0.00 -2.53 0.00 -1.97 -0.90 119.26 113.97 2ofe h ALA 117 Ca -0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ofe h ALA 117 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ofe h ALA 117 CO 0.34 0.06 -0.14 1.63 0.00 0.00 0.00 179.25 181.14 2ofe n LYS 118 N -3.29 0.14 -0.39 0.00 5.02 -1.26 -4.92 118.16 113.45 2ofe n LYS 118 Ca -0.01 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2ofe n LYS 118 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2ofe n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofe n GLY 119 N 1.45 0.80 3.73 0.72 0.00 -0.34 -5.06 105.19 106.48 2ofe n GLY 119 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2ofe n GLY 119 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ofe s ARG 120 N -0.61 4.63 0.10 1.61 3.52 -1.26 -4.80 118.95 122.14 2ofe s ARG 120 Ca 0.00 1.59 -0.18 0.00 -0.13 0.00 0.00 55.73 57.02 2ofe s ARG 120 Cb 0.00 -3.33 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 2ofe s ARG 120 CO 0.00 0.11 0.57 1.21 -0.81 0.00 0.00 175.30 176.38 2ofe s ASN 121 N 0.05 6.98 -0.03 -2.12 2.47 -1.26 -1.24 114.94 119.79 2ofe s ASN 121 Ca 0.49 1.21 0.03 0.00 0.42 0.00 0.00 52.86 55.01 2ofe s ASN 121 Cb -0.26 -2.34 -0.00 0.00 -1.45 0.00 0.00 41.25 37.20 2ofe s ASN 121 CO 0.32 0.21 -0.12 -0.36 -3.72 0.00 0.00 177.10 173.43 2ofe s PHE 122 N -1.24 1.18 -0.00 0.43 0.40 -0.12 -0.51 117.98 118.12 2ofe s PHE 122 Ca 0.32 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2ofe s PHE 122 Cb -0.18 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.54 2ofe s PHE 122 CO 0.19 -0.10 -0.01 -2.00 0.70 0.00 0.00 175.22 173.99 2ofe s GLU 123 N 0.07 0.14 -0.12 0.44 2.12 -0.42 -1.56 118.70 119.37 2ofe s GLU 123 Ca -0.02 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.28 2ofe s GLU 123 Cb -0.09 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.13 2ofe s GLU 123 CO 0.01 0.02 -0.17 0.42 -0.54 0.00 0.00 175.26 175.00 2ofe s ILE 124 N 0.06 2.66 -0.06 -3.70 1.01 0.20 -0.25 121.20 121.10 2ofe s ILE 124 Ca -0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 2ofe s ILE 124 Cb -0.02 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.39 2ofe s ILE 124 CO -0.00 0.54 -0.03 0.54 0.00 0.00 0.00 174.94 175.98 2ofe s VAL 125 N 0.40 0.52 -0.27 2.92 0.11 -0.45 -1.04 120.40 122.59 2ofe s VAL 125 Ca -0.13 -0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.61 2ofe s VAL 125 Cb -0.17 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2ofe s VAL 125 CO 0.06 0.26 0.99 -0.31 -3.33 0.00 0.00 175.10 172.77 2ofe s TYR 126 N 1.46 3.25 -0.12 1.54 1.51 0.53 -0.65 117.35 124.87 2ofe s TYR 126 Ca -0.02 1.24 0.15 0.00 -1.01 0.00 0.00 57.07 57.43 2ofe s TYR 126 Cb -0.13 -3.39 -0.06 0.00 -0.11 0.00 0.00 41.96 38.27 2ofe s TYR 126 CO -0.03 -0.59 1.13 1.79 -1.11 0.00 0.00 175.55 176.74 2ofe h THR 127 N 5.57 0.75 -3.69 -0.71 1.35 -0.99 -3.39 112.91 111.80 2ofe h THR 127 Ca -0.21 -2.21 -0.64 0.00 -0.55 0.00 0.00 66.41 62.80 2ofe h THR 127 Cb 1.07 2.27 -0.38 0.00 -1.73 0.00 0.00 68.15 69.37 2ofe h THR 127 CO 0.97 0.43 -0.77 -0.70 -0.25 0.00 0.00 175.52 175.20 2ofe s GLU 128 N -2.92 1.72 0.00 4.72 2.56 -0.97 -4.99 118.70 118.82 2ofe s GLU 128 Ca 0.00 -1.37 0.13 0.00 0.00 0.00 0.00 54.97 53.74 2ofe s GLU 128 Cb 0.08 -2.82 0.35 0.00 2.00 0.00 0.00 34.13 33.75 2ofe s GLU 128 CO 0.78 -0.72 1.28 0.00 -0.56 0.00 0.00 175.26 176.05 2ofe n ALA 129 N 4.48 2.24 -2.47 6.30 0.00 -1.26 -1.76 120.51 128.05 2ofe n ALA 129 Ca -0.07 -1.13 -0.26 0.00 0.00 0.00 0.00 53.44 51.97 2ofe n ALA 129 Cb 0.43 -0.53 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 2ofe n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ofe s GLU 130 N -1.01 1.26 2.09 0.00 2.02 -1.26 -4.65 118.70 117.14 2ofe s GLU 130 Ca 0.27 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 54.01 2ofe s GLU 130 Cb 0.15 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.74 2ofe s GLU 130 CO 0.19 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.26 2ofe n GLY 131 N 0.99 -1.33 0.51 -1.39 0.00 -1.26 -4.39 105.19 98.32 2ofe n GLY 131 Ca -0.19 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2ofe n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ofe n ASN 132 N 0.16 2.02 -3.91 1.61 4.13 -1.26 -4.66 115.26 113.34 2ofe n ASN 132 Ca 0.00 -1.50 -0.30 0.00 1.68 0.00 0.00 54.58 54.46 2ofe n ASN 132 Cb 0.00 0.42 -0.14 0.00 -1.54 0.00 0.00 39.78 38.53 2ofe n ASN 132 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ofe s ASP 133 N -2.45 4.30 -0.01 6.41 3.68 -1.26 -1.02 116.67 126.32 2ofe s ASP 133 Ca 0.20 -3.11 -0.02 0.00 2.13 0.00 0.00 52.55 51.74 2ofe s ASP 133 Cb 0.18 -1.57 -0.04 0.00 -1.45 0.00 0.00 42.92 40.04 2ofe s ASP 133 CO 0.55 -0.21 0.16 -0.76 0.13 0.00 0.00 175.17 175.04 2ofe s LEU 134 N -0.41 4.26 -0.04 -1.34 1.43 0.02 -4.88 118.68 117.72 2ofe s LEU 134 Ca 0.18 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2ofe s LEU 134 Cb -0.22 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.47 2ofe s LEU 134 CO -0.03 0.26 -0.04 -1.00 0.23 0.00 0.00 176.35 175.77 2ofe s HIS 135 N -1.30 0.71 0.03 0.29 3.76 -0.72 -0.74 115.29 117.32 2ofe s HIS 135 Ca 0.27 -0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.00 2ofe s HIS 135 Cb -0.12 -0.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 2ofe s HIS 135 CO 0.18 -0.18 -0.07 0.00 -0.85 0.00 0.00 174.74 173.82 2ofe s ALA 136 N 0.90 0.50 -0.11 -1.40 0.00 -0.03 -0.31 121.76 121.32 2ofe s ALA 136 Ca -0.11 -0.58 -0.10 0.00 0.00 0.00 0.00 51.96 51.17 2ofe s ALA 136 Cb -0.14 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2ofe s ALA 136 CO 0.00 0.02 0.22 -0.80 0.00 0.00 0.00 175.76 175.19 2ofe s ASN 137 N -1.10 6.46 -0.29 0.00 0.01 0.18 -1.20 114.94 119.00 2ofe s ASN 137 Ca -0.06 0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 52.56 2ofe s ASN 137 Cb -0.07 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.46 2ofe s ASN 137 CO 0.00 0.32 0.08 -0.22 -1.51 0.00 0.00 177.10 175.77 2ofe s LEU 138 N -0.64 3.80 -0.24 0.60 2.96 0.48 -1.35 118.68 124.29 2ofe s LEU 138 Ca 0.16 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2ofe s LEU 138 Cb -0.13 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 2ofe s LEU 138 CO 0.05 -0.17 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.26 2ofe s ILE 139 N 1.52 3.47 -0.23 6.68 1.09 0.65 -0.31 121.20 134.07 2ofe s ILE 139 Ca 0.03 -0.58 -0.12 0.00 -1.10 0.00 0.00 60.65 58.88 2ofe s ILE 139 Cb -0.17 -2.65 -0.05 0.00 -1.06 0.00 0.00 42.46 38.54 2ofe s ILE 139 CO 0.03 0.32 0.24 -0.63 -0.10 0.00 0.00 174.94 174.80 2ofe s ILE 140 N 1.47 5.30 -2.41 2.92 1.01 0.40 -1.30 121.20 128.59 2ofe s ILE 140 Ca 0.04 0.35 0.29 0.00 0.00 0.00 0.00 60.65 61.33 2ofe s ILE 140 Cb -0.15 -3.58 0.61 0.00 0.01 0.00 0.00 42.46 39.36 2ofe s ILE 140 CO -0.02 0.31 1.83 0.61 0.00 0.00 0.00 174.94 177.67