#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iwe s GLU 2 N 0.00 2.82 0.00 0.00 1.03 -1.26 -3.80 118.70 117.49 2iwe s GLU 2 Ca 0.00 0.98 0.00 0.00 0.03 0.00 0.00 54.97 55.98 2iwe s GLU 2 Cb 0.00 -1.97 0.00 0.00 -0.80 0.00 0.00 34.13 31.36 2iwe s GLU 2 CO 0.00 -1.19 0.00 0.00 -1.33 0.00 0.00 175.26 172.74 2iwe s SER 4 N -2.10 -0.09 -0.14 0.00 1.04 -1.25 -0.76 113.70 110.41 2iwe s SER 4 Ca 0.00 -0.60 -0.10 0.00 0.48 0.00 0.00 55.95 55.73 2iwe s SER 4 Cb 0.00 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2iwe s SER 4 CO 0.00 -0.90 0.34 0.54 0.98 0.00 0.00 173.24 174.20 2iwe s VAL 5 N -3.89 -0.02 -0.09 5.02 0.11 -0.17 -4.92 120.40 116.45 2iwe s VAL 5 Ca 0.10 0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 2iwe s VAL 5 Cb 0.02 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2iwe s VAL 5 CO -0.06 0.02 0.55 -1.81 -3.33 0.00 0.00 175.10 170.48 2iwe s ASP 6 N 0.77 6.80 -0.04 3.54 1.11 -1.26 -1.07 116.67 126.51 2iwe s ASP 6 Ca -0.05 0.95 -0.03 0.00 0.18 0.00 0.00 52.55 53.61 2iwe s ASP 6 Cb -0.06 -2.33 0.02 0.00 1.07 0.00 0.00 42.92 41.62 2iwe s ASP 6 CO -0.05 -0.02 0.10 -0.51 1.18 0.00 0.00 175.17 175.87 2iwe s ILE 7 N 0.59 -0.02 0.06 0.77 2.07 -0.06 -4.96 121.20 119.64 2iwe s ILE 7 Ca 0.30 0.09 0.09 0.00 -1.41 0.00 0.00 60.65 59.71 2iwe s ILE 7 Cb -0.16 -0.17 -0.03 0.00 0.13 0.00 0.00 42.46 42.23 2iwe s ILE 7 CO 0.13 0.04 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.86 2iwe s GLN 8 N 0.55 1.82 -0.14 3.50 -0.21 -1.26 -1.52 119.66 122.39 2iwe s GLN 8 Ca -0.04 -1.11 0.02 0.00 0.02 0.00 0.00 55.36 54.25 2iwe s GLN 8 Cb -0.06 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.93 2iwe s GLN 8 CO -0.02 0.51 -0.21 0.20 -2.12 0.00 0.00 175.29 173.64 2iwe s GLY 9 N -1.45 1.37 0.32 3.09 0.00 -0.96 -0.62 107.32 109.07 2iwe s GLY 9 Ca 0.13 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.80 2iwe s GLY 9 CO 0.04 -0.03 0.30 1.16 0.00 0.00 0.00 173.10 174.57 2iwe n ASN 10 N 4.06 1.73 0.00 1.64 0.23 -0.91 -3.82 115.26 118.18 2iwe n ASN 10 Ca -0.20 -2.00 0.03 0.00 -0.53 0.00 0.00 54.58 51.88 2iwe n ASN 10 Cb 0.52 -0.09 0.20 0.00 -2.08 0.00 0.00 39.78 38.32 2iwe n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2iwe n ASP 11 N -2.14 0.00 -0.58 0.53 8.00 -1.26 -2.27 116.55 118.83 2iwe n ASP 11 Ca 0.02 -0.93 0.06 0.00 0.71 0.00 0.00 54.79 54.66 2iwe n ASP 11 Cb 0.35 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.54 2iwe n ASP 11 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2iwe n GLN 12 N -0.69 1.45 -3.02 -1.24 -0.06 -1.26 -4.96 117.38 107.60 2iwe n GLN 12 Ca 0.05 -1.54 -0.20 0.00 -2.00 0.00 0.00 57.00 53.31 2iwe n GLN 12 Cb 0.02 -1.26 0.04 0.00 -4.06 0.00 0.00 30.24 24.98 2iwe n GLN 12 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 2iwe n MET 13 N 0.69 -4.78 -4.72 3.69 2.81 -0.96 -5.02 117.12 108.82 2iwe n MET 13 Ca 0.09 0.79 -0.32 0.00 -1.81 0.00 0.00 57.70 56.44 2iwe n MET 13 Cb 0.36 -5.43 -0.17 0.00 -0.71 0.00 0.00 33.22 27.28 2iwe n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2iwe s GLN 14 N -5.66 3.03 0.33 0.03 -0.21 -1.26 -4.74 119.66 111.18 2iwe s GLN 14 Ca 0.31 -0.85 -0.27 0.00 0.02 0.00 0.00 55.36 54.57 2iwe s GLN 14 Cb -0.14 -2.43 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 2iwe s GLN 14 CO 0.38 0.01 1.07 -0.06 -2.12 0.00 0.00 175.29 174.57 2iwe s PHE 15 N 0.77 3.45 -1.93 0.91 0.08 -1.25 -2.15 117.98 117.86 2iwe s PHE 15 Ca -0.08 1.68 0.25 0.00 0.12 0.00 0.00 56.93 58.90 2iwe s PHE 15 Cb -0.16 -3.20 1.45 0.00 -0.57 0.00 0.00 43.02 40.54 2iwe s PHE 15 CO -0.01 -0.54 1.84 0.27 -0.10 0.00 0.00 175.22 176.68 2iwe n ASN 16 N 0.62 0.00 -3.83 1.36 6.94 0.21 -4.72 115.26 115.85 2iwe n ASN 16 Ca 0.02 -0.69 -0.11 0.00 -0.02 0.00 0.00 54.58 53.78 2iwe n ASN 16 Cb 0.47 -0.04 -0.09 0.00 -2.36 0.00 0.00 39.78 37.77 2iwe n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2iwe s THR 17 N -2.07 0.09 -0.02 5.53 -1.32 -1.26 -4.98 115.64 111.61 2iwe s THR 17 Ca 0.35 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 60.10 2iwe s THR 17 Cb 0.17 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.44 2iwe s THR 17 CO 0.30 -0.42 0.86 -0.46 -2.21 0.00 0.00 174.62 172.68 2iwe n ASN 18 N 0.93 1.01 -3.60 8.08 0.23 -1.26 -4.91 115.26 115.73 2iwe n ASN 18 Ca -0.20 -1.84 -0.15 0.00 -0.53 0.00 0.00 54.58 51.86 2iwe n ASN 18 Cb 0.58 -0.11 -0.13 0.00 -2.08 0.00 0.00 39.78 38.04 2iwe n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2iwe s ALA 19 N -0.79 -0.46 -0.14 -2.53 0.00 -1.26 -1.92 121.76 114.67 2iwe s ALA 19 Ca 0.05 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 2iwe s ALA 19 Cb 0.05 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2iwe s ALA 19 CO 0.01 -0.82 -0.05 0.42 0.00 0.00 0.00 175.76 175.32 2iwe s ILE 20 N 2.39 3.81 -0.24 0.00 1.01 0.16 -4.98 121.20 123.35 2iwe s ILE 20 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2iwe s ILE 20 Cb -0.13 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2iwe s ILE 20 CO -0.10 0.52 -0.05 -0.89 0.00 0.00 0.00 174.94 174.42 2iwe s THR 21 N 0.14 3.11 -0.15 2.92 2.01 -1.26 -2.55 115.64 119.87 2iwe s THR 21 Ca -0.02 -0.77 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 2iwe s THR 21 Cb -0.14 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 2iwe s THR 21 CO 0.03 0.31 0.51 -0.69 -0.69 0.00 0.00 174.62 174.08 2iwe s VAL 22 N 1.40 5.15 -0.05 3.82 1.01 -1.01 -4.99 120.40 125.73 2iwe s VAL 22 Ca 0.03 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2iwe s VAL 22 Cb -0.15 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2iwe s VAL 22 CO -0.04 0.27 1.63 -0.62 0.00 0.00 0.00 175.10 176.33 2iwe s ASP 23 N 0.83 6.68 0.59 3.32 -1.08 -1.26 -2.74 116.67 123.01 2iwe s ASP 23 Ca 0.26 2.22 0.30 0.00 -0.52 0.00 0.00 52.55 54.81 2iwe s ASP 23 Cb -0.15 -2.54 1.21 0.00 -1.46 0.00 0.00 42.92 39.98 2iwe s ASP 23 CO 0.10 -0.91 1.54 0.50 0.52 0.00 0.00 175.17 176.92 2iwe h LYS 24 N 9.36 0.00 -0.38 4.34 3.64 -1.50 0.47 116.57 132.50 2iwe h LYS 24 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2iwe h LYS 24 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2iwe h LYS 24 CO 0.95 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 177.00 2iwe n SER 25 N -3.50 3.93 -4.75 4.20 3.41 -1.26 -4.92 113.62 110.73 2iwe n SER 25 Ca 0.21 -2.62 -0.40 0.00 -0.26 0.00 0.00 58.87 55.80 2iwe n SER 25 Cb 1.30 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 64.73 2iwe n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iwe h LYS 27 N 4.95 0.37 -5.23 0.00 3.64 -1.91 -3.42 116.57 114.98 2iwe h LYS 27 Ca -0.45 -0.38 -0.38 0.00 -1.27 0.00 0.00 60.65 58.17 2iwe h LYS 27 Cb 1.21 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.95 2iwe h LYS 27 CO 0.69 1.05 -0.75 -0.65 -2.27 0.00 0.00 179.45 177.53 2iwe s GLN 28 N -3.26 0.95 0.01 1.90 -0.21 -1.26 -1.19 119.66 116.61 2iwe s GLN 28 Ca -0.14 -1.20 0.07 0.00 0.02 0.00 0.00 55.36 54.11 2iwe s GLN 28 Cb 0.03 -0.75 -0.02 0.00 1.00 0.00 0.00 33.01 33.27 2iwe s GLN 28 CO 0.81 0.14 -0.21 0.12 -2.12 0.00 0.00 175.29 174.02 2iwe s PHE 29 N -2.26 1.90 -0.09 0.91 5.36 -0.11 -4.83 117.98 118.87 2iwe s PHE 29 Ca 0.07 -0.37 0.02 0.00 -0.96 0.00 0.00 56.93 55.70 2iwe s PHE 29 Cb -0.04 -1.18 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 2iwe s PHE 29 CO 0.02 0.03 -0.17 0.99 -1.46 0.00 0.00 175.22 174.64 2iwe s THR 30 N -0.65 1.55 -0.20 0.12 2.01 0.06 -1.52 115.64 117.01 2iwe s THR 30 Ca 0.08 -0.70 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 2iwe s THR 30 Cb -0.09 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 2iwe s THR 30 CO 0.01 0.45 0.01 -0.69 -0.69 0.00 0.00 174.62 173.71 2iwe s VAL 31 N 0.73 4.07 -0.43 3.82 1.01 0.14 -1.00 120.40 128.74 2iwe s VAL 31 Ca -0.12 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2iwe s VAL 31 Cb -0.16 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.46 2iwe s VAL 31 CO 0.03 0.42 0.27 0.20 0.00 0.00 0.00 175.10 176.02 2iwe s ASN 32 N 1.02 5.65 -0.17 3.32 0.01 -0.24 -1.43 114.94 123.10 2iwe s ASN 32 Ca 0.02 -1.56 -0.09 0.00 -0.71 0.00 0.00 52.86 50.52 2iwe s ASN 32 Cb -0.14 -1.99 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 2iwe s ASN 32 CO 0.02 -0.56 0.13 -0.22 -1.51 0.00 0.00 177.10 174.96 2iwe s LEU 33 N 1.42 4.23 0.24 0.60 2.96 0.19 -0.88 118.68 127.43 2iwe s LEU 33 Ca 0.03 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2iwe s LEU 33 Cb -0.23 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 2iwe s LEU 33 CO 0.02 0.25 0.08 -0.94 -1.32 0.00 0.00 176.35 174.43 2iwe s SER 34 N -0.07 1.16 -0.29 3.68 1.04 -0.58 -1.29 113.70 117.35 2iwe s SER 34 Ca 0.10 -1.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.17 2iwe s SER 34 Cb -0.11 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.26 2iwe s SER 34 CO -0.00 -0.70 0.10 -2.28 0.98 0.00 0.00 173.24 171.34 2iwe s HIS 35 N -3.75 1.24 0.00 5.02 2.46 -1.13 -2.27 115.29 116.86 2iwe s HIS 35 Ca 0.35 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.48 2iwe s HIS 35 Cb 0.07 -1.41 0.00 0.00 -0.13 0.00 0.00 32.58 31.11 2iwe s HIS 35 CO 0.12 -0.84 0.00 -2.30 -2.47 0.00 0.00 174.74 169.25 2iwe n PRO 36 N 4.98 1.08 -1.17 2.88 -0.02 -1.25 -1.25 135.00 140.26 2iwe n PRO 36 Ca -0.04 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.60 2iwe n PRO 36 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.86 2iwe n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iwe n GLY 37 N 3.74 -2.17 0.11 -1.23 0.00 -1.26 -4.49 105.19 99.88 2iwe n GLY 37 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.85 2iwe n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2iwe n ASN 38 N -3.80 0.81 -4.77 1.61 3.02 -1.26 -4.28 115.26 106.59 2iwe n ASN 38 Ca -0.01 -0.91 -0.39 0.00 -0.03 0.00 0.00 54.58 53.24 2iwe n ASN 38 Cb 0.54 0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 40.20 2iwe n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2iwe s LEU 39 N -1.47 4.60 1.15 3.41 1.43 -1.26 -4.80 118.68 121.75 2iwe s LEU 39 Ca 0.04 1.74 -0.16 0.00 -1.03 0.00 0.00 54.13 54.73 2iwe s LEU 39 Cb 0.04 -3.42 0.26 0.00 0.03 0.00 0.00 46.19 43.11 2iwe s LEU 39 CO 0.15 0.18 1.06 -2.16 0.23 0.00 0.00 176.35 175.82 2iwe s PRO 40 N -1.20 -0.81 0.35 1.29 0.04 -1.26 -1.85 135.00 131.56 2iwe s PRO 40 Ca 0.38 0.36 0.04 0.00 0.04 0.00 0.00 61.00 61.82 2iwe s PRO 40 Cb -0.24 -1.61 0.66 0.00 0.04 0.00 0.00 34.50 33.35 2iwe s PRO 40 CO 0.28 -3.53 1.95 -0.22 0.04 0.00 0.00 177.00 175.52 2iwe h LYS 41 N -2.46 0.63 -0.00 4.56 3.64 -1.86 -1.51 116.57 119.56 2iwe h LYS 41 Ca -0.53 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 2iwe h LYS 41 Cb 1.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2iwe h LYS 41 CO 0.46 0.52 -0.01 0.27 -2.27 0.00 0.00 179.45 178.42 2iwe n ASN 42 N -4.37 0.29 -0.02 4.20 6.94 -1.26 -2.19 115.26 118.85 2iwe n ASN 42 Ca 0.03 -0.94 -0.05 0.00 -0.02 0.00 0.00 54.58 53.61 2iwe n ASN 42 Cb 0.15 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.51 2iwe n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2iwe n VAL 43 N -0.84 0.25 -2.72 3.53 0.31 -1.09 -4.89 118.33 112.88 2iwe n VAL 43 Ca 0.21 -0.07 -0.18 0.00 -0.01 0.00 0.00 64.34 64.30 2iwe n VAL 43 Cb 0.18 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 2iwe n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2iwe n MET 44 N -3.10 1.99 -2.30 5.55 0.00 -0.59 -5.04 117.12 113.63 2iwe n MET 44 Ca -0.09 -3.80 -0.38 0.00 -0.00 0.00 0.00 57.70 53.43 2iwe n MET 44 Cb 0.57 -1.71 -0.02 0.00 0.00 0.00 0.00 33.22 32.05 2iwe n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2iwe s GLY 45 N -3.17 2.88 -0.04 -5.12 0.00 -0.93 -4.77 107.32 96.17 2iwe s GLY 45 Ca 0.37 0.97 0.01 0.00 0.00 0.00 0.00 44.72 46.08 2iwe s GLY 45 CO -0.06 1.50 -0.05 0.30 0.00 0.00 0.00 173.10 174.79 2iwe s HIS 46 N -1.39 0.72 0.27 1.90 3.76 -0.78 -4.73 115.29 115.04 2iwe s HIS 46 Ca 0.56 -0.19 0.09 0.00 -0.15 0.00 0.00 55.06 55.37 2iwe s HIS 46 Cb -0.31 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.70 2iwe s HIS 46 CO 0.39 -0.17 -0.13 0.54 -0.85 0.00 0.00 174.74 174.52 2iwe s ASN 47 N 0.81 3.15 -0.24 1.40 2.20 -1.26 -0.90 114.94 120.10 2iwe s ASN 47 Ca -0.11 -1.09 -0.05 0.00 -0.94 0.00 0.00 52.86 50.67 2iwe s ASN 47 Cb -0.14 -0.23 -0.00 0.00 -2.00 0.00 0.00 41.25 38.88 2iwe s ASN 47 CO 0.00 -0.15 -0.00 0.86 -2.94 0.00 0.00 177.10 174.87 2iwe s TRP 48 N -2.77 3.03 -0.05 1.54 -0.00 -1.26 -3.75 118.94 115.68 2iwe s TRP 48 Ca 0.28 -0.96 0.03 0.00 -0.00 0.00 0.00 56.10 55.46 2iwe s TRP 48 Cb -0.00 -2.15 0.01 0.00 -0.00 0.00 0.00 33.47 31.32 2iwe s TRP 48 CO 0.12 -0.55 -0.14 0.08 -0.00 0.00 0.00 176.95 176.46 2iwe s VAL 49 N 1.48 1.21 -0.13 5.86 1.01 -0.49 -0.82 120.40 128.53 2iwe s VAL 49 Ca 0.04 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2iwe s VAL 49 Cb -0.15 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2iwe s VAL 49 CO -0.01 0.36 -0.16 -0.22 0.00 0.00 0.00 175.10 175.07 2iwe s LEU 50 N 0.37 2.54 0.30 3.92 2.96 0.51 -1.95 118.68 127.33 2iwe s LEU 50 Ca -0.09 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.34 2iwe s LEU 50 Cb -0.13 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.00 2iwe s LEU 50 CO 0.03 0.15 0.49 -0.94 -1.32 0.00 0.00 176.35 174.77 2iwe s SER 51 N 0.41 0.37 0.69 3.68 1.04 -0.63 -0.06 113.70 119.19 2iwe s SER 51 Ca -0.12 -1.22 -0.15 0.00 0.48 0.00 0.00 55.95 54.94 2iwe s SER 51 Cb -0.16 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.61 2iwe s SER 51 CO 0.06 -1.25 1.17 0.42 0.98 0.00 0.00 173.24 174.61 2iwe s THR 52 N -3.42 2.68 0.26 2.02 -4.23 -1.26 0.70 115.64 112.39 2iwe s THR 52 Ca 0.26 0.34 -0.01 0.00 -1.18 0.00 0.00 61.69 61.10 2iwe s THR 52 Cb -0.01 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.18 2iwe s THR 52 CO 0.14 -0.18 1.78 0.00 -0.54 0.00 0.00 174.62 175.82 2iwe h ALA 53 N -0.07 1.31 -0.39 3.99 0.00 -1.03 -2.12 119.26 120.95 2iwe h ALA 53 Ca -0.48 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.54 2iwe h ALA 53 Cb 1.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 2iwe h ALA 53 CO 0.52 -0.03 0.19 0.00 0.00 0.00 0.00 179.25 179.93 2iwe h ALA 54 N 1.55 0.48 -0.12 0.00 0.00 -1.91 -3.09 119.26 116.16 2iwe h ALA 54 Ca 0.46 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.19 2iwe h ALA 54 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2iwe h ALA 54 CO -0.34 -0.17 -0.73 -0.44 0.00 0.00 0.00 179.25 177.57 2iwe h ASP 55 N 0.40 0.69 -0.47 0.00 3.32 -1.80 -3.38 116.42 115.18 2iwe h ASP 55 Ca 0.17 -0.45 0.08 0.00 0.02 0.00 0.00 57.03 56.86 2iwe h ASP 55 Cb 0.08 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.34 2iwe h ASP 55 CO -0.12 1.21 -0.15 0.80 -1.72 0.00 0.00 179.24 179.26 2iwe n MET 56 N -3.89 -0.07 0.07 3.56 0.00 -0.85 -0.68 117.12 115.26 2iwe n MET 56 Ca -0.05 0.73 -0.12 0.00 -0.00 0.00 0.00 57.70 58.26 2iwe n MET 56 Cb 0.71 -1.09 -0.06 0.00 0.00 0.00 0.00 33.22 32.79 2iwe n MET 56 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2iwe h GLN 57 N 0.00 -0.17 -0.47 2.12 5.75 -1.78 -1.07 115.11 119.49 2iwe h GLN 57 Ca 0.20 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 2iwe h GLN 57 Cb 0.32 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 2iwe h GLN 57 CO -0.48 -0.11 -0.02 0.78 -2.65 0.00 0.00 178.83 176.35 2iwe h GLY 58 N -0.18 0.85 1.05 2.39 0.00 -1.17 -0.98 103.07 105.03 2iwe h GLY 58 Ca 0.02 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 2iwe h GLY 58 CO -0.06 0.54 0.21 -2.08 0.00 0.00 0.00 176.54 175.16 2iwe h VAL 59 N 0.74 1.26 -0.22 4.60 2.07 -1.28 -1.34 116.25 122.07 2iwe h VAL 59 Ca 0.14 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 2iwe h VAL 59 Cb 0.48 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2iwe h VAL 59 CO 0.02 0.35 -0.01 0.58 0.02 0.00 0.00 177.57 178.54 2iwe h VAL 60 N 1.04 1.26 -0.36 2.57 2.07 -0.79 0.69 116.25 122.73 2iwe h VAL 60 Ca 0.23 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2iwe h VAL 60 Cb 0.32 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2iwe h VAL 60 CO -0.01 0.28 0.04 0.74 0.02 0.00 0.00 177.57 178.64 2iwe h THR 61 N 0.15 1.24 0.00 2.57 2.02 -1.04 -0.47 112.91 117.38 2iwe h THR 61 Ca 0.06 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.26 2iwe h THR 61 Cb 0.41 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2iwe h THR 61 CO 0.01 0.29 -0.46 0.44 0.37 0.00 0.00 175.52 176.17 2iwe h ASP 62 N 0.43 0.00 -0.01 4.18 3.32 -1.28 -2.27 116.42 120.79 2iwe h ASP 62 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2iwe h ASP 62 Cb 0.39 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2iwe h ASP 62 CO 0.01 0.46 -0.00 1.23 -1.72 0.00 0.00 179.24 179.22 2iwe h GLY 63 N 2.27 0.01 1.77 2.75 0.00 -0.58 -2.97 103.07 106.32 2iwe h GLY 63 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 2iwe h GLY 63 CO 0.06 0.01 -0.13 -0.33 0.00 0.00 0.00 176.54 176.15 2iwe h MET 64 N -0.41 0.29 0.00 4.80 2.86 -1.04 -1.10 114.93 120.33 2iwe h MET 64 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2iwe h MET 64 Cb 0.43 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2iwe h MET 64 CO 0.00 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.40 2iwe n ALA 65 N -2.49 2.44 0.08 6.32 0.00 -0.86 -3.17 120.51 122.83 2iwe n ALA 65 Ca -0.00 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.49 2iwe n ALA 65 Cb 0.28 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.44 2iwe n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2iwe n SER 66 N -0.65 0.23 0.00 0.00 7.64 -0.42 -5.04 113.62 115.39 2iwe n SER 66 Ca 0.06 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2iwe n SER 66 Cb 0.03 1.88 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 2iwe n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iwe n GLY 67 N 1.32 -0.89 0.29 0.23 0.00 -1.19 -4.29 105.19 100.67 2iwe n GLY 67 Ca -0.03 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.35 2iwe n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2iwe h LEU 68 N 0.00 0.53 -2.23 0.99 5.85 -1.93 -2.12 115.31 116.40 2iwe h LEU 68 Ca 0.00 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2iwe h LEU 68 Cb 0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 2iwe h LEU 68 CO 0.00 0.49 -0.01 0.44 -0.34 0.00 0.00 178.44 179.03 2iwe h ASP 69 N 0.58 0.00 -0.60 1.25 5.19 -2.01 -1.15 116.42 119.67 2iwe h ASP 69 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2iwe h ASP 69 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2iwe h ASP 69 CO -0.01 0.01 0.00 0.29 -3.12 0.00 0.00 179.24 176.40 2iwe n LYS 70 N -4.17 4.56 -2.37 3.56 4.76 -0.93 -4.89 118.16 118.69 2iwe n LYS 70 Ca -0.03 -3.07 -0.12 0.00 -2.87 0.00 0.00 58.31 52.22 2iwe n LYS 70 Cb 0.09 -2.16 -0.01 0.00 -1.84 0.00 0.00 35.03 31.11 2iwe n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2iwe n ASP 71 N 0.78 -3.79 -3.97 4.39 9.92 -0.44 -1.53 116.55 121.92 2iwe n ASP 71 Ca 0.27 0.21 -0.31 0.00 -0.53 0.00 0.00 54.79 54.43 2iwe n ASP 71 Cb 1.11 -3.24 0.02 0.00 -0.64 0.00 0.00 41.12 38.36 2iwe n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2iwe n TYR 72 N -3.26 -2.17 -4.56 1.24 4.01 -0.84 -4.75 117.16 106.82 2iwe n TYR 72 Ca -0.14 0.88 -0.21 0.00 -0.16 0.00 0.00 57.90 58.27 2iwe n TYR 72 Cb 0.59 -3.80 -0.15 0.00 -0.31 0.00 0.00 39.34 35.68 2iwe n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2iwe s LEU 73 N -7.25 2.00 0.15 7.72 1.43 -0.58 -4.16 118.68 117.97 2iwe s LEU 73 Ca 0.64 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.20 2iwe s LEU 73 Cb -0.33 -0.66 -0.10 0.00 0.03 0.00 0.00 46.19 45.13 2iwe s LEU 73 CO 0.85 0.15 1.72 -0.75 0.23 0.00 0.00 176.35 178.54 2iwe s LYS 74 N -0.24 4.16 -0.05 1.70 2.20 -1.26 -4.83 119.74 121.42 2iwe s LYS 74 Ca 0.04 2.50 -0.36 0.00 -0.36 0.00 0.00 55.97 57.79 2iwe s LYS 74 Cb -0.05 -3.36 -0.14 0.00 -1.51 0.00 0.00 37.83 32.76 2iwe s LYS 74 CO -0.00 -0.75 1.65 -2.30 -0.36 0.00 0.00 175.35 173.59 2iwe n PRO 75 N 4.86 1.63 -3.67 4.03 -0.02 -1.26 -2.17 135.00 138.40 2iwe n PRO 75 Ca 0.16 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 2iwe n PRO 75 Cb 0.38 -2.33 0.04 0.00 -0.02 0.00 0.00 33.50 31.57 2iwe n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2iwe n ASP 76 N 4.63 -1.54 -4.60 2.55 8.00 -1.26 -4.90 116.55 119.42 2iwe n ASP 76 Ca 0.22 -0.81 -0.43 0.00 0.71 0.00 0.00 54.79 54.47 2iwe n ASP 76 Cb 0.22 -4.14 -0.02 0.00 -0.02 0.00 0.00 41.12 37.16 2iwe n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2iwe s ASP 77 N -4.30 6.64 0.00 -2.24 -1.08 -0.92 -4.88 116.67 109.88 2iwe s ASP 77 Ca 0.03 0.49 0.10 0.00 -0.52 0.00 0.00 52.55 52.65 2iwe s ASP 77 Cb -0.01 -2.55 0.60 0.00 -1.46 0.00 0.00 42.92 39.50 2iwe s ASP 77 CO 0.81 -1.25 1.39 -1.54 0.52 0.00 0.00 175.17 175.10 2iwe n SER 78 N 7.83 0.01 0.02 -0.34 3.41 -1.26 -2.15 113.62 121.14 2iwe n SER 78 Ca 0.12 -1.69 0.11 0.00 -0.26 0.00 0.00 58.87 57.16 2iwe n SER 78 Cb 0.49 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.52 2iwe n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2iwe n ARG 79 N -0.65 0.17 -2.72 4.33 1.74 -1.26 -4.81 116.66 113.46 2iwe n ARG 79 Ca 0.08 0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 2iwe n ARG 79 Cb 0.04 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 2iwe n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2iwe s VAL 80 N -3.11 4.08 0.14 1.55 1.01 -0.91 -4.49 120.40 118.66 2iwe s VAL 80 Ca 0.07 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2iwe s VAL 80 Cb 0.15 -4.76 0.02 0.00 0.00 0.00 0.00 36.38 31.79 2iwe s VAL 80 CO 0.77 -1.56 1.64 0.40 0.00 0.00 0.00 175.10 176.36 2iwe h ILE 81 N 6.01 1.24 -2.63 2.22 2.04 -0.79 -3.46 117.51 122.15 2iwe h ILE 81 Ca -0.28 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 2iwe h ILE 81 Cb 1.06 0.89 -0.14 0.00 -0.74 0.00 0.00 36.82 37.89 2iwe h ILE 81 CO 1.21 0.30 0.25 0.00 0.00 0.00 0.00 178.15 179.91 2iwe s ALA 82 N -5.28 -1.68 0.16 1.87 0.00 -1.22 -5.01 121.76 110.61 2iwe s ALA 82 Ca -0.13 0.79 -0.20 0.00 0.00 0.00 0.00 51.96 52.42 2iwe s ALA 82 Cb 0.11 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.85 2iwe s ALA 82 CO 0.79 -0.65 0.54 -3.38 0.00 0.00 0.00 175.76 173.06 2iwe s HIS 83 N -2.99 -0.37 0.55 0.00 -3.43 -1.26 -0.36 115.29 107.42 2iwe s HIS 83 Ca -0.01 0.10 0.09 0.00 -0.80 0.00 0.00 55.06 54.43 2iwe s HIS 83 Cb -0.01 0.46 0.07 0.00 -1.43 0.00 0.00 32.58 31.67 2iwe s HIS 83 CO -0.07 -0.84 0.72 0.95 -2.00 0.00 0.00 174.74 173.51 2iwe s THR 84 N -3.79 2.23 0.95 -5.38 -4.23 -0.00 -4.79 115.64 100.63 2iwe s THR 84 Ca 0.03 -1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 59.38 2iwe s THR 84 Cb -0.00 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.71 2iwe s THR 84 CO -0.10 0.00 1.09 -0.54 -0.54 0.00 0.00 174.62 174.53 2iwe s LYS 85 N -4.58 0.85 -0.11 3.99 -0.14 -1.26 -4.62 119.74 113.87 2iwe s LYS 85 Ca 0.58 0.82 -0.24 0.00 -1.36 0.00 0.00 55.97 55.78 2iwe s LYS 85 Cb -0.06 -1.76 -0.03 0.00 -1.68 0.00 0.00 37.83 34.30 2iwe s LYS 85 CO 0.36 -2.53 0.75 -1.17 -0.76 0.00 0.00 175.35 172.01 2iwe s LEU 86 N -6.40 4.26 0.17 3.17 2.96 -1.26 -4.34 118.68 117.24 2iwe s LEU 86 Ca 0.65 1.17 0.11 0.00 -0.22 0.00 0.00 54.13 55.84 2iwe s LEU 86 Cb -0.19 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 2iwe s LEU 86 CO 0.58 -0.23 -0.25 0.27 -1.32 0.00 0.00 176.35 175.41 2iwe s ILE 87 N 1.34 2.34 0.00 6.68 -4.36 -0.07 -4.92 121.20 122.20 2iwe s ILE 87 Ca 0.38 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 2iwe s ILE 87 Cb -0.17 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.44 2iwe s ILE 87 CO 0.16 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 175.90 2iwe n GLY 88 N 0.48 2.66 3.72 6.27 0.00 -1.26 -1.86 105.19 115.20 2iwe n GLY 88 Ca -0.14 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 2iwe n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2iwe n SER 89 N -2.35 3.54 0.00 1.61 2.88 -0.77 -1.90 113.62 116.64 2iwe n SER 89 Ca 0.00 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 2iwe n SER 89 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 2iwe n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2iwe n GLY 90 N 2.56 2.52 3.96 0.46 0.00 -0.38 -4.97 105.19 109.33 2iwe n GLY 90 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 2iwe n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iwe s GLU 91 N -0.04 1.87 -0.29 1.61 2.02 -0.80 -4.91 118.70 118.16 2iwe s GLU 91 Ca 0.00 -0.70 -0.12 0.00 0.02 0.00 0.00 54.97 54.17 2iwe s GLU 91 Cb 0.00 -2.25 0.12 0.00 0.10 0.00 0.00 34.13 32.10 2iwe s GLU 91 CO 0.00 -1.36 0.70 0.21 0.02 0.00 0.00 175.26 174.83 2iwe s LYS 92 N -5.19 0.58 0.02 1.61 2.47 -1.26 -2.82 119.74 115.14 2iwe s LYS 92 Ca 0.64 1.31 0.01 0.00 -1.56 0.00 0.00 55.97 56.37 2iwe s LYS 92 Cb -0.08 0.63 -0.01 0.00 -1.46 0.00 0.00 37.83 36.91 2iwe s LYS 92 CO 0.44 -0.17 -0.04 0.34 0.16 0.00 0.00 175.35 176.08 2iwe s ASP 93 N 2.49 0.46 0.07 1.43 2.15 -0.41 -5.03 116.67 117.83 2iwe s ASP 93 Ca -0.07 -0.33 0.09 0.00 0.43 0.00 0.00 52.55 52.67 2iwe s ASP 93 Cb -0.09 0.03 -0.03 0.00 -0.30 0.00 0.00 42.92 42.52 2iwe s ASP 93 CO -0.19 -0.13 -0.22 -0.44 -0.17 0.00 0.00 175.17 174.02 2iwe s SER 94 N -0.93 3.56 -0.04 -0.34 0.01 -1.26 -0.64 113.70 114.06 2iwe s SER 94 Ca -0.07 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.64 2iwe s SER 94 Cb -0.06 -0.44 0.02 0.00 0.21 0.00 0.00 66.02 65.75 2iwe s SER 94 CO -0.00 0.23 -0.04 0.54 0.41 0.00 0.00 173.24 174.38 2iwe s VAL 95 N -0.96 0.46 0.09 3.43 0.11 -0.52 -4.90 120.40 118.12 2iwe s VAL 95 Ca 0.14 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.16 2iwe s VAL 95 Cb -0.10 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2iwe s VAL 95 CO 0.05 0.21 0.01 -0.89 -3.33 0.00 0.00 175.10 171.15 2iwe s THR 96 N 0.92 4.10 0.10 5.04 2.01 -1.26 -0.69 115.64 125.86 2iwe s THR 96 Ca -0.11 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.77 2iwe s THR 96 Cb -0.14 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.44 2iwe s THR 96 CO -0.00 0.11 0.36 0.72 -0.69 0.00 0.00 174.62 175.13 2iwe s PHE 97 N -1.34 -0.16 0.14 4.92 -0.71 -0.58 -4.96 117.98 115.30 2iwe s PHE 97 Ca 0.26 -0.10 -0.31 0.00 -1.04 0.00 0.00 56.93 55.74 2iwe s PHE 97 Cb -0.12 0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 41.80 2iwe s PHE 97 CO 0.19 -0.64 1.38 -0.51 -1.34 0.00 0.00 175.22 174.30 2iwe s ASP 98 N -2.59 6.83 0.49 1.98 1.01 -1.26 -0.93 116.67 122.20 2iwe s ASP 98 Ca 0.01 2.36 0.26 0.00 0.71 0.00 0.00 52.55 55.89 2iwe s ASP 98 Cb 0.02 -2.59 1.28 0.00 1.01 0.00 0.00 42.92 42.63 2iwe s ASP 98 CO -0.09 -0.63 2.00 0.58 0.21 0.00 0.00 175.17 177.24 2iwe h VAL 99 N 4.11 0.61 0.00 -1.27 2.07 -1.40 -2.55 116.25 117.82 2iwe h VAL 99 Ca -0.43 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2iwe h VAL 99 Cb 1.21 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2iwe h VAL 99 CO 0.84 0.16 0.06 0.77 0.02 0.00 0.00 177.57 179.42 2iwe h SER 100 N 0.00 0.00 0.13 0.57 4.64 -1.88 0.03 113.55 117.05 2iwe h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iwe h SER 100 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2iwe h SER 100 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 2iwe n LYS 101 N -2.96 0.75 -4.15 4.77 5.02 -0.96 -4.78 118.16 115.85 2iwe n LYS 101 Ca -0.03 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2iwe n LYS 101 Cb 0.12 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 2iwe n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2iwe s LEU 102 N -2.15 3.40 -0.02 -0.35 1.43 -0.00 -5.10 118.68 115.88 2iwe s LEU 102 Ca 0.38 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.29 2iwe s LEU 102 Cb 0.19 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 2iwe s LEU 102 CO 0.35 0.16 -0.17 -0.75 0.23 0.00 0.00 176.35 176.17 2iwe s LYS 103 N -2.40 1.55 0.34 1.70 2.20 -1.26 -5.05 119.74 116.82 2iwe s LYS 103 Ca 0.25 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 2iwe s LYS 103 Cb -0.11 -1.44 -0.12 0.00 -1.51 0.00 0.00 37.83 34.66 2iwe s LYS 103 CO 0.18 0.32 1.50 -1.91 -0.36 0.00 0.00 175.35 175.08 2iwe n GLU 104 N 2.84 2.59 -1.43 4.03 4.07 -1.26 -3.26 120.64 128.23 2iwe n GLU 104 Ca -0.16 0.91 -0.05 0.00 -0.06 0.00 0.00 57.16 57.80 2iwe n GLU 104 Cb 0.54 -2.64 -0.02 0.00 -0.06 0.00 0.00 31.44 29.26 2iwe n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2iwe n GLY 105 N 1.13 0.58 3.40 8.31 0.00 -1.26 -5.04 105.19 112.31 2iwe n GLY 105 Ca 0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2iwe n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2iwe s GLU 106 N -2.96 2.15 -0.14 1.61 2.56 -1.20 -5.11 118.70 115.60 2iwe s GLU 106 Ca 0.00 -0.91 -0.25 0.00 0.00 0.00 0.00 54.97 53.81 2iwe s GLU 106 Cb 0.00 -2.15 -0.02 0.00 2.00 0.00 0.00 34.13 33.96 2iwe s GLU 106 CO 0.00 0.56 0.81 -0.65 -0.56 0.00 0.00 175.26 175.42 2iwe s GLN 107 N -0.96 4.33 0.18 4.30 1.11 -1.26 -4.60 119.66 122.76 2iwe s GLN 107 Ca 0.12 1.00 0.09 0.00 0.01 0.00 0.00 55.36 56.58 2iwe s GLN 107 Cb -0.10 -3.55 -0.04 0.00 -1.01 0.00 0.00 33.01 28.31 2iwe s GLN 107 CO 0.02 -0.24 -0.11 0.71 0.01 0.00 0.00 175.29 175.67 2iwe s TYR 108 N 1.85 2.59 -0.03 0.91 2.02 -0.81 -0.44 117.35 123.43 2iwe s TYR 108 Ca 0.38 -0.24 0.05 0.00 -0.37 0.00 0.00 57.07 56.89 2iwe s TYR 108 Cb -0.17 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2iwe s TYR 108 CO 0.14 0.51 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.81 2iwe s MET 109 N -2.80 1.73 -0.01 -0.62 -1.94 0.22 -0.88 119.30 115.00 2iwe s MET 109 Ca 0.24 -0.65 0.02 0.00 -1.71 0.00 0.00 55.69 53.60 2iwe s MET 109 Cb -0.09 -1.56 -0.03 0.00 2.01 0.00 0.00 34.83 35.16 2iwe s MET 109 CO 0.14 0.31 -0.05 -0.59 -0.01 0.00 0.00 175.02 174.83 2iwe s PHE 110 N -0.16 2.94 0.14 -0.03 -0.12 0.36 -1.61 117.98 119.49 2iwe s PHE 110 Ca 0.00 -0.00 -0.24 0.00 -0.05 0.00 0.00 56.93 56.64 2iwe s PHE 110 Cb -0.10 -1.64 0.07 0.00 -0.63 0.00 0.00 43.02 40.72 2iwe s PHE 110 CO 0.01 0.39 0.75 -0.59 -0.05 0.00 0.00 175.22 175.73 2iwe s PHE 111 N -0.99 -0.36 -0.19 3.49 -0.71 -0.82 -0.28 117.98 118.12 2iwe s PHE 111 Ca 0.17 0.11 -0.09 0.00 -1.04 0.00 0.00 56.93 56.08 2iwe s PHE 111 Cb -0.11 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 2iwe s PHE 111 CO 0.07 -0.84 0.11 0.00 -1.34 0.00 0.00 175.22 173.23 2iwe n THR 113 N 3.34 0.02 -1.77 0.00 -2.24 -1.26 -4.56 114.28 107.81 2iwe n THR 113 Ca -0.17 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 60.82 2iwe n THR 113 Cb 0.52 0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 69.73 2iwe n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2iwe n PHE 114 N 0.78 2.94 -1.79 4.78 -0.00 -1.26 -4.23 117.46 118.67 2iwe n PHE 114 Ca 0.17 0.45 -0.38 0.00 -0.00 0.00 0.00 57.45 57.68 2iwe n PHE 114 Cb 0.48 -2.52 -0.03 0.00 -0.00 0.00 0.00 39.48 37.40 2iwe n PHE 114 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 2iwe s PRO 115 N -2.07 2.53 0.40 -7.13 0.02 -1.26 -4.92 135.00 122.56 2iwe s PRO 115 Ca 0.53 1.17 -0.07 0.00 0.02 0.00 0.00 61.00 62.66 2iwe s PRO 115 Cb -0.48 -4.45 0.09 0.00 0.02 0.00 0.00 34.50 29.68 2iwe s PRO 115 CO 0.64 -2.81 0.51 0.41 -0.33 0.00 0.00 177.00 175.42 2iwe n GLY 116 N 5.80 -1.43 0.00 0.52 0.00 -1.26 -5.09 105.19 103.73 2iwe n GLY 116 Ca 0.28 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2iwe n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iwe n GLY 117 N 1.36 1.75 0.00 -0.02 0.00 -1.26 -5.03 105.19 101.99 2iwe n GLY 117 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2iwe n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2iwe n SER 118 N 0.00 0.00 -4.89 1.61 7.64 -1.26 -4.93 113.62 111.79 2iwe n SER 118 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2iwe n SER 118 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2iwe n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iwe s ALA 119 N -3.19 3.85 0.68 -0.43 0.00 -1.26 -5.09 121.76 116.32 2iwe s ALA 119 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.81 2iwe s ALA 119 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2iwe s ALA 119 CO 0.00 0.63 1.08 -0.48 0.00 0.00 0.00 175.76 176.99 2iwe s LEU 120 N -2.92 3.25 -0.39 0.00 0.05 -1.26 -4.94 118.68 112.47 2iwe s LEU 120 Ca 0.33 1.79 -0.29 0.00 0.05 0.00 0.00 54.13 56.02 2iwe s LEU 120 Cb -0.11 -4.52 0.01 0.00 -2.05 0.00 0.00 46.19 39.51 2iwe s LEU 120 CO 0.27 -1.56 1.39 -0.04 -0.55 0.00 0.00 176.35 175.85 2iwe s MET 121 N -4.58 3.65 0.33 1.48 -1.94 -1.26 -4.98 119.30 112.00 2iwe s MET 121 Ca 0.62 1.01 0.05 0.00 -1.71 0.00 0.00 55.69 55.66 2iwe s MET 121 Cb -0.17 -3.99 -0.06 0.00 2.01 0.00 0.00 34.83 32.62 2iwe s MET 121 CO 0.48 -1.47 0.02 -1.59 -0.01 0.00 0.00 175.02 172.46 2iwe s LYS 122 N 4.76 1.67 -0.10 2.03 -2.85 -1.26 -2.37 119.74 121.63 2iwe s LYS 122 Ca 0.60 -1.91 -0.31 0.00 -1.00 0.00 0.00 55.97 53.35 2iwe s LYS 122 Cb -0.14 -1.05 0.12 0.00 -2.06 0.00 0.00 37.83 34.70 2iwe s LYS 122 CO 0.31 -0.11 1.01 0.20 0.10 0.00 0.00 175.35 176.85 2iwe s GLY 123 N -3.51 -0.35 -0.03 0.59 0.00 0.62 -4.81 107.32 99.83 2iwe s GLY 123 Ca 0.35 1.50 -0.09 0.00 0.00 0.00 0.00 44.72 46.47 2iwe s GLY 123 CO 0.15 0.60 0.28 -0.51 0.00 0.00 0.00 173.10 173.62 2iwe s THR 124 N -2.32 5.27 -0.03 0.90 -4.23 -0.81 -0.49 115.64 113.93 2iwe s THR 124 Ca 0.04 0.40 0.06 0.00 -1.18 0.00 0.00 61.69 61.02 2iwe s THR 124 Cb -0.01 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 2iwe s THR 124 CO -0.05 0.50 -0.21 -0.22 -0.54 0.00 0.00 174.62 174.10 2iwe s LEU 125 N -1.34 2.02 -0.01 4.79 0.20 -0.06 -0.66 118.68 123.61 2iwe s LEU 125 Ca 0.23 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 54.65 2iwe s LEU 125 Cb -0.14 -1.14 0.00 0.00 -0.43 0.00 0.00 46.19 44.48 2iwe s LEU 125 CO 0.12 0.24 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.50 2iwe s THR 126 N -0.32 0.25 -0.20 3.68 2.01 -1.06 -1.93 115.64 118.08 2iwe s THR 126 Ca 0.03 -0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 2iwe s THR 126 Cb -0.10 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 2iwe s THR 126 CO 0.01 0.08 0.71 -0.22 -0.69 0.00 0.00 174.62 174.50 2iwe s LEU 127 N 0.05 4.14 0.00 4.42 0.20 -1.26 -2.41 118.68 123.82 2iwe s LEU 127 Ca -0.00 0.94 0.00 0.00 0.69 0.00 0.00 54.13 55.76 2iwe s LEU 127 Cb -0.03 -3.01 0.00 0.00 -0.43 0.00 0.00 46.19 42.72 2iwe s LEU 127 CO -0.00 -0.34 0.00 2.29 -0.29 0.00 0.00 176.35 178.01