#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 s THR 2 N 0.00 -0.70 -0.59 0.00 -1.32 -0.49 -5.00 115.64 107.55 2af2 s THR 2 Ca 0.00 0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.29 2af2 s THR 2 Cb 0.00 -0.86 0.04 0.00 -1.51 0.00 0.00 72.50 70.17 2af2 s THR 2 CO 0.00 0.03 1.02 -0.75 -2.21 0.00 0.00 174.62 172.71 2af2 s LYS 3 N 2.55 3.32 0.61 7.08 2.47 -1.26 -2.00 119.74 132.51 2af2 s LYS 3 Ca -0.05 -0.24 -0.03 0.00 -1.56 0.00 0.00 55.97 54.09 2af2 s LYS 3 Cb -0.11 -4.08 0.04 0.00 -1.46 0.00 0.00 37.83 32.22 2af2 s LYS 3 CO -0.17 -1.63 0.88 0.00 0.16 0.00 0.00 175.35 174.59 2af2 s ALA 4 N 4.31 3.54 -0.12 3.13 0.00 0.02 -1.74 121.76 130.90 2af2 s ALA 4 Ca 0.32 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 2af2 s ALA 4 Cb -0.12 -2.34 0.04 0.00 0.00 0.00 0.00 23.12 20.70 2af2 s ALA 4 CO 0.19 -0.96 0.42 0.54 0.00 0.00 0.00 175.76 175.95 2af2 s VAL 5 N -2.97 0.01 -0.07 0.00 0.11 0.25 -1.35 120.40 116.39 2af2 s VAL 5 Ca 0.58 -0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.50 2af2 s VAL 5 Cb -0.10 -0.63 0.04 0.00 -1.53 0.00 0.00 36.38 34.16 2af2 s VAL 5 CO 0.41 -0.06 0.12 0.00 -3.33 0.00 0.00 175.10 172.25 2af2 s ALA 6 N -0.20 -0.02 -0.56 1.54 0.00 -0.99 -0.80 121.76 120.73 2af2 s ALA 6 Ca -0.04 0.43 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2af2 s ALA 6 Cb -0.03 -0.73 0.14 0.00 0.00 0.00 0.00 23.12 22.51 2af2 s ALA 6 CO 0.02 -0.52 0.45 0.08 0.00 0.00 0.00 175.76 175.80 2af2 s VAL 7 N 2.19 4.54 -0.42 0.00 1.01 -1.26 -2.00 120.40 124.46 2af2 s VAL 7 Ca 0.03 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 59.72 2af2 s VAL 7 Cb -0.12 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2af2 s VAL 7 CO -0.05 -0.85 1.23 -0.76 0.00 0.00 0.00 175.10 174.67 2af2 s LEU 8 N 1.02 3.69 0.05 3.92 1.02 0.29 -4.53 118.68 124.14 2af2 s LEU 8 Ca 0.09 0.73 -0.16 0.00 0.02 0.00 0.00 54.13 54.80 2af2 s LEU 8 Cb -0.23 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.46 2af2 s LEU 8 CO -0.02 -1.24 0.37 -0.54 0.02 0.00 0.00 176.35 174.95 2af2 s LYS 9 N 4.46 0.89 0.00 1.70 1.02 0.04 -2.70 119.74 125.15 2af2 s LYS 9 Ca 0.52 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 56.08 2af2 s LYS 9 Cb -0.11 0.39 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 2af2 s LYS 9 CO 0.29 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 2af2 n GLY 10 N 0.48 1.29 2.32 -3.33 0.00 -1.26 -4.44 105.19 100.25 2af2 n GLY 10 Ca -0.18 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2af2 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 11 N 0.00 7.86 0.00 1.61 9.92 -1.26 -4.95 116.55 129.73 2af2 n ASP 11 Ca 0.00 -2.75 0.00 0.00 -0.53 0.00 0.00 54.79 51.51 2af2 n ASP 11 Cb 0.00 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.02 2af2 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2af2 n GLY 12 N 2.72 1.00 0.04 0.44 0.00 -1.26 -0.89 105.19 107.23 2af2 n GLY 12 Ca 0.67 0.71 0.14 0.00 0.00 0.00 0.00 46.02 47.54 2af2 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 13 N 0.00 0.25 -3.27 1.61 -0.04 -1.26 -4.84 135.00 127.45 2af2 n PRO 13 Ca 0.00 -0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.01 2af2 n PRO 13 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2af2 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2af2 s VAL 14 N -2.80 4.74 0.17 0.52 1.01 -0.07 -4.49 120.40 119.48 2af2 s VAL 14 Ca 0.19 1.13 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 2af2 s VAL 14 Cb 0.19 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.77 2af2 s VAL 14 CO 0.55 0.43 0.55 0.00 0.00 0.00 0.00 175.10 176.63 2af2 s GLN 15 N -1.44 1.30 -0.12 2.72 0.00 -0.87 -4.48 119.66 116.76 2af2 s GLN 15 Ca 0.33 -0.64 -0.00 0.00 -0.00 0.00 0.00 55.36 55.05 2af2 s GLN 15 Cb -0.18 0.55 0.03 0.00 0.00 0.00 0.00 33.01 33.41 2af2 s GLN 15 CO 0.19 -0.56 -0.08 0.20 0.00 0.00 0.00 175.29 175.05 2af2 s GLY 16 N -2.80 0.87 -0.10 2.60 0.00 -1.10 -0.86 107.32 105.93 2af2 s GLY 16 Ca 0.04 -0.62 -0.15 0.00 0.00 0.00 0.00 44.72 43.98 2af2 s GLY 16 CO -0.09 0.80 0.38 -1.50 0.00 0.00 0.00 173.10 172.69 2af2 s ILE 17 N 1.68 5.20 0.01 0.90 -1.16 -0.80 -0.55 121.20 126.48 2af2 s ILE 17 Ca 0.04 0.75 0.02 0.00 -0.51 0.00 0.00 60.65 60.95 2af2 s ILE 17 Cb -0.13 -3.71 -0.01 0.00 0.61 0.00 0.00 42.46 39.22 2af2 s ILE 17 CO -0.08 0.43 -0.06 0.27 -2.81 0.00 0.00 174.94 172.69 2af2 s ILE 18 N 0.03 0.44 -0.11 2.00 -5.25 -0.85 -1.36 121.20 116.10 2af2 s ILE 18 Ca 0.22 -0.49 0.03 0.00 -0.99 0.00 0.00 60.65 59.42 2af2 s ILE 18 Cb -0.15 -0.42 -0.00 0.00 2.95 0.00 0.00 42.46 44.84 2af2 s ILE 18 CO 0.09 -0.05 -0.22 0.20 -1.79 0.00 0.00 174.94 173.17 2af2 s ASN 19 N -0.58 3.25 -0.11 4.36 0.02 -0.96 -2.34 114.94 118.59 2af2 s ASN 19 Ca -0.02 -0.52 0.01 0.00 -1.02 0.00 0.00 52.86 51.31 2af2 s ASN 19 Cb -0.05 -1.45 -0.02 0.00 0.02 0.00 0.00 41.25 39.76 2af2 s ASN 19 CO -0.00 0.16 -0.14 -0.36 0.02 0.00 0.00 177.10 176.79 2af2 s PHE 20 N 0.34 2.78 -0.27 2.20 0.08 -0.46 -3.35 117.98 119.31 2af2 s PHE 20 Ca -0.18 -0.53 -0.06 0.00 0.12 0.00 0.00 56.93 56.28 2af2 s PHE 20 Cb -0.18 -1.79 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2af2 s PHE 20 CO 0.08 -0.12 0.05 -2.00 -0.10 0.00 0.00 175.22 173.14 2af2 s GLU 21 N 0.08 3.28 -0.03 0.44 -6.30 -0.65 -0.80 118.70 114.73 2af2 s GLU 21 Ca -0.06 -0.72 0.07 0.00 -2.50 0.00 0.00 54.97 51.76 2af2 s GLU 21 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 34.13 30.68 2af2 s GLU 21 CO 0.05 -0.33 -0.23 -1.14 0.02 0.00 0.00 175.26 173.62 2af2 s GLN 22 N 1.52 2.20 -0.17 4.30 -0.44 -0.85 -1.77 119.66 124.47 2af2 s GLN 22 Ca 0.04 -0.87 -0.21 0.00 -2.50 0.00 0.00 55.36 51.82 2af2 s GLN 22 Cb -0.16 -2.12 -0.23 0.00 -1.64 0.00 0.00 33.01 28.86 2af2 s GLN 22 CO 0.02 0.58 0.41 1.57 0.50 0.00 0.00 175.29 178.36 2af2 h LYS 23 N 5.45 0.07 -3.04 1.67 -0.00 -1.88 -0.37 116.57 118.47 2af2 h LYS 23 Ca -0.44 -0.12 -0.16 0.00 -0.00 0.00 0.00 60.65 59.93 2af2 h LYS 23 Cb 1.13 0.05 -0.26 0.00 -0.00 0.00 0.00 32.23 33.14 2af2 h LYS 23 CO 0.48 1.06 -0.41 -1.83 -0.00 0.00 0.00 179.45 178.75 2af2 s GLU 24 N -2.37 0.30 0.18 0.07 -1.05 -1.26 -0.65 118.70 113.92 2af2 s GLU 24 Ca -0.24 0.43 -0.24 0.00 -0.15 0.00 0.00 54.97 54.77 2af2 s GLU 24 Cb 0.04 0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.88 2af2 s GLU 24 CO 0.66 -0.07 1.44 0.43 0.95 0.00 0.00 175.26 178.68 2af2 n SER 25 N 3.23 -0.84 -1.48 0.83 7.64 -1.26 -1.16 113.62 120.58 2af2 n SER 25 Ca -0.16 1.65 0.09 0.00 1.01 0.00 0.00 58.87 61.46 2af2 n SER 25 Cb 0.57 -0.28 0.34 0.00 -1.01 0.00 0.00 64.21 63.83 2af2 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2af2 n ASN 26 N -5.25 4.66 -2.26 6.43 3.02 -1.26 -3.79 115.26 116.81 2af2 n ASN 26 Ca 0.05 -2.52 -0.02 0.00 -0.03 0.00 0.00 54.58 52.06 2af2 n ASN 26 Cb 0.30 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 38.91 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2af2 n GLY 27 N 0.86 1.91 3.88 7.41 0.00 -0.31 -4.94 105.19 114.00 2af2 n GLY 27 Ca 0.25 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2af2 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2af2 s PRO 28 N -2.24 0.34 -0.02 1.61 0.04 -1.26 -4.10 135.00 129.37 2af2 s PRO 28 Ca 0.05 -0.35 -0.03 0.00 0.04 0.00 0.00 61.00 60.72 2af2 s PRO 28 Cb -0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2af2 s PRO 28 CO 0.03 -2.62 0.07 0.08 0.04 0.00 0.00 177.00 174.60 2af2 s VAL 29 N -3.75 0.01 -0.19 -0.36 1.01 -0.59 -4.30 120.40 112.23 2af2 s VAL 29 Ca 0.73 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 2af2 s VAL 29 Cb -0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2af2 s VAL 29 CO 0.53 -0.05 0.45 -0.75 0.00 0.00 0.00 175.10 175.29 2af2 s LYS 30 N -0.11 4.19 -0.15 2.72 2.20 -0.73 -1.57 119.74 126.29 2af2 s LYS 30 Ca -0.02 0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.90 2af2 s LYS 30 Cb -0.01 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 2af2 s LYS 30 CO 0.00 -0.06 -0.17 0.08 -0.36 0.00 0.00 175.35 174.83 2af2 s VAL 31 N 1.38 2.47 0.16 4.02 1.01 0.13 -1.63 120.40 127.93 2af2 s VAL 31 Ca 0.21 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2af2 s VAL 31 Cb -0.15 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.23 2af2 s VAL 31 CO 0.09 0.53 0.44 -1.66 0.00 0.00 0.00 175.10 174.49 2af2 s TRP 32 N 0.82 -0.11 -5.00 5.22 -2.14 -1.21 -0.15 118.94 116.37 2af2 s TRP 32 Ca -0.06 -0.22 0.00 0.00 2.66 0.00 0.00 56.10 58.48 2af2 s TRP 32 Cb -0.15 0.28 0.00 0.00 -3.10 0.00 0.00 33.47 30.50 2af2 s TRP 32 CO -0.01 -0.79 0.00 0.41 -2.66 0.00 0.00 176.95 173.90 2af2 n GLY 33 N -0.27 0.71 3.38 3.67 0.00 -0.58 -2.26 105.19 109.85 2af2 n GLY 33 Ca -0.13 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 2af2 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2af2 s SER 34 N -4.00 -0.51 -0.35 1.61 1.04 -0.46 -1.37 113.70 109.66 2af2 s SER 34 Ca 0.00 0.98 -0.04 0.00 0.48 0.00 0.00 55.95 57.37 2af2 s SER 34 Cb 0.00 0.99 0.07 0.00 0.10 0.00 0.00 66.02 67.18 2af2 s SER 34 CO 0.00 -0.17 0.11 -0.63 0.98 0.00 0.00 173.24 173.53 2af2 s ILE 35 N 0.28 3.42 -0.12 -1.02 1.09 0.08 -1.90 121.20 123.03 2af2 s ILE 35 Ca -0.00 -1.48 0.03 0.00 -1.10 0.00 0.00 60.65 58.09 2af2 s ILE 35 Cb -0.03 -3.07 0.00 0.00 -1.06 0.00 0.00 42.46 38.30 2af2 s ILE 35 CO 0.00 -0.32 -0.21 -0.75 -0.10 0.00 0.00 174.94 173.56 2af2 s LYS 36 N 1.29 3.09 0.00 2.79 2.47 -0.04 -1.25 119.74 128.09 2af2 s LYS 36 Ca 0.00 -0.84 0.00 0.00 -1.56 0.00 0.00 55.97 53.57 2af2 s LYS 36 Cb -0.21 -2.41 0.00 0.00 -1.46 0.00 0.00 37.83 33.76 2af2 s LYS 36 CO -0.00 0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.03 2af2 n GLY 37 N 3.73 0.72 3.69 5.54 0.00 0.02 -2.06 105.19 116.84 2af2 n GLY 37 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2af2 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 38 N 0.00 2.49 0.40 0.99 1.43 -1.17 -4.72 118.68 118.10 2af2 s LEU 38 Ca 0.00 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 2af2 s LEU 38 Cb 0.00 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 2af2 s LEU 38 CO 0.00 -2.83 0.61 0.28 0.23 0.00 0.00 176.35 174.65 2af2 s THR 39 N -2.77 4.64 0.63 5.49 -1.32 -1.26 -4.24 115.64 116.81 2af2 s THR 39 Ca 0.65 -0.43 -0.18 0.00 -1.21 0.00 0.00 61.69 60.52 2af2 s THR 39 Cb -0.20 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.04 2af2 s THR 39 CO 0.58 -0.49 0.93 1.21 -2.21 0.00 0.00 174.62 174.64 2af2 n GLU 40 N -1.94 0.79 0.00 7.08 2.13 -1.26 -4.60 120.64 122.83 2af2 n GLU 40 Ca -0.02 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.11 2af2 n GLU 40 Cb 0.57 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.13 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2af2 n GLY 41 N 1.31 -3.31 3.66 8.31 0.00 -0.17 -4.84 105.19 110.15 2af2 n GLY 41 Ca 0.14 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2af2 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2af2 n LEU 42 N 0.00 4.60 -3.76 0.99 4.32 -1.26 -0.70 117.00 121.18 2af2 n LEU 42 Ca 0.00 0.82 -0.13 0.00 -0.02 0.00 0.00 56.01 56.68 2af2 n LEU 42 Cb 0.00 -1.46 -0.13 0.00 -1.62 0.00 0.00 43.42 40.22 2af2 n LEU 42 CO 0.00 -1.50 -0.15 -1.00 -1.22 0.00 0.00 177.39 173.52 2af2 s HIS 43 N -1.46 -0.26 0.56 -1.77 3.76 -0.75 -2.33 115.29 113.05 2af2 s HIS 43 Ca 0.78 0.64 -0.20 0.00 -0.15 0.00 0.00 55.06 56.12 2af2 s HIS 43 Cb -0.40 0.04 -0.05 0.00 1.11 0.00 0.00 32.58 33.27 2af2 s HIS 43 CO 0.45 -0.17 1.11 0.41 -0.85 0.00 0.00 174.74 175.69 2af2 n GLY 44 N 3.72 0.08 3.06 -2.22 0.00 -0.74 0.24 105.19 109.34 2af2 n GLY 44 Ca -0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2af2 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2af2 s PHE 45 N -1.40 -1.40 0.02 1.61 5.36 -1.23 -1.61 117.98 119.32 2af2 s PHE 45 Ca 0.73 1.17 -0.22 0.00 -0.96 0.00 0.00 56.93 57.65 2af2 s PHE 45 Cb -0.44 0.28 0.05 0.00 -0.34 0.00 0.00 43.02 42.57 2af2 s PHE 45 CO 0.49 -0.91 0.48 -1.01 -1.46 0.00 0.00 175.22 172.82 2af2 s HIS 46 N 2.73 -0.38 0.16 10.12 3.76 -0.87 -0.78 115.29 130.03 2af2 s HIS 46 Ca 0.15 0.49 -0.28 0.00 -0.15 0.00 0.00 55.06 55.27 2af2 s HIS 46 Cb -0.14 0.28 -0.08 0.00 1.11 0.00 0.00 32.58 33.76 2af2 s HIS 46 CO -0.22 -0.58 0.86 0.54 -0.85 0.00 0.00 174.74 174.49 2af2 s VAL 47 N -2.05 4.34 0.45 -0.90 0.11 0.08 -0.62 120.40 121.81 2af2 s VAL 47 Ca -0.08 1.88 -0.07 0.00 -2.93 0.00 0.00 61.98 60.78 2af2 s VAL 47 Cb -0.01 -4.23 -0.05 0.00 -1.53 0.00 0.00 36.38 30.56 2af2 s VAL 47 CO 0.01 0.46 0.77 -1.00 -3.33 0.00 0.00 175.10 172.01 2af2 s HIS 48 N -0.82 3.53 -0.92 1.54 3.76 0.74 -3.87 115.29 119.25 2af2 s HIS 48 Ca 0.40 0.88 -0.24 0.00 -0.15 0.00 0.00 55.06 55.94 2af2 s HIS 48 Cb -0.24 -2.34 -0.03 0.00 1.11 0.00 0.00 32.58 31.09 2af2 s HIS 48 CO 0.28 -0.20 1.86 -2.00 -0.85 0.00 0.00 174.74 173.83 2af2 s GLU 49 N -4.38 2.74 0.00 1.40 2.12 0.14 -4.25 118.70 116.46 2af2 s GLU 49 Ca 0.48 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2af2 s GLU 49 Cb -0.10 -5.11 0.00 0.00 0.26 0.00 0.00 34.13 29.18 2af2 s GLU 49 CO 0.40 -3.17 0.00 1.19 -0.54 0.00 0.00 175.26 173.14 2af2 n PHE 50 N 13.07 0.00 -0.40 5.30 3.72 -1.26 -3.67 117.46 134.22 2af2 n PHE 50 Ca 0.39 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.82 2af2 n PHE 50 Cb 0.48 -0.24 0.04 0.00 -0.94 0.00 0.00 39.48 38.82 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2af2 n GLY 51 N 1.16 3.31 2.26 1.37 0.00 -0.73 -4.32 105.19 108.25 2af2 n GLY 51 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2af2 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 52 N -0.76 6.24 -2.14 1.61 5.75 -1.26 -4.00 116.55 122.00 2af2 n ASP 52 Ca 0.05 -3.04 -0.02 0.00 -0.01 0.00 0.00 54.79 51.77 2af2 n ASP 52 Cb 0.39 -1.22 0.05 0.00 -1.03 0.00 0.00 41.12 39.30 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2af2 n ASN 53 N 1.04 -0.78 -1.96 -1.12 2.04 -1.26 -5.06 115.26 108.16 2af2 n ASN 53 Ca 0.43 -1.59 -0.02 0.00 -0.44 0.00 0.00 54.58 52.96 2af2 n ASN 53 Cb 0.61 0.45 -0.03 0.00 -2.53 0.00 0.00 39.78 38.29 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2af2 n THR 54 N -0.61 1.11 0.15 5.53 -2.24 -1.26 -3.28 114.28 113.68 2af2 n THR 54 Ca -0.10 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.34 2af2 n THR 54 Cb 0.67 -1.42 0.14 0.00 -2.10 0.00 0.00 70.33 67.61 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N 2.15 2.34 -0.58 6.98 0.00 -1.26 -5.04 120.51 125.10 2af2 n ALA 55 Ca 0.08 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2af2 n ALA 55 Cb 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.21 2af2 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 56 N 0.84 1.65 0.00 0.00 0.00 -1.21 -1.63 105.19 104.85 2af2 n GLY 56 Ca 0.12 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2af2 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2af2 n THR 58 N -1.30 1.35 0.00 0.00 5.66 -0.64 -4.93 114.28 114.42 2af2 n THR 58 Ca 0.00 -1.61 0.00 0.00 -3.05 0.00 0.00 64.05 59.39 2af2 n THR 58 Cb 0.16 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2af2 n THR 58 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2af2 n SER 59 N -1.01 0.00 -4.68 1.09 7.64 -0.08 -4.95 113.62 111.63 2af2 n SER 59 Ca 0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 2af2 n SER 59 Cb 0.62 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 s ALA 60 N -1.05 3.54 1.04 -0.43 0.00 0.04 -4.92 121.76 119.98 2af2 s ALA 60 Ca 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.35 2af2 s ALA 60 Cb 0.00 -3.53 0.21 0.00 0.00 0.00 0.00 23.12 19.80 2af2 s ALA 60 CO 0.00 -0.86 1.07 0.20 0.00 0.00 0.00 175.76 176.17 2af2 s GLY 61 N 1.52 1.57 1.27 0.00 0.00 -1.24 -4.82 107.32 105.61 2af2 s GLY 61 Ca 0.54 -0.23 -0.19 0.00 0.00 0.00 0.00 44.72 44.83 2af2 s GLY 61 CO 0.18 0.40 0.66 -1.55 0.00 0.00 0.00 173.10 172.79 2af2 n PRO 62 N -4.40 -3.40 -2.03 2.90 -0.04 -1.26 -2.11 135.00 124.66 2af2 n PRO 62 Ca 0.05 -1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.08 2af2 n PRO 62 Cb 0.56 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 2af2 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2af2 s HIS 63 N -2.18 1.93 -0.21 0.54 3.76 -1.26 -0.68 115.29 117.20 2af2 s HIS 63 Ca 0.59 0.48 -0.19 0.00 -0.15 0.00 0.00 55.06 55.79 2af2 s HIS 63 Cb -0.14 -4.02 -0.08 0.00 1.11 0.00 0.00 32.58 29.46 2af2 s HIS 63 CO 0.54 -3.21 0.81 0.34 -0.85 0.00 0.00 174.74 172.37 2af2 n PHE 64 N 8.88 0.55 -2.28 1.40 7.35 -1.25 -4.72 117.46 127.39 2af2 n PHE 64 Ca 0.20 0.37 -0.32 0.00 -0.76 0.00 0.00 57.45 56.93 2af2 n PHE 64 Cb 0.45 -0.94 0.01 0.00 0.35 0.00 0.00 39.48 39.36 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2af2 n ASN 65 N 2.65 5.89 0.20 -2.13 6.94 -1.26 -2.34 115.26 125.20 2af2 n ASN 65 Ca 0.20 -3.77 0.14 0.00 -0.02 0.00 0.00 54.58 51.14 2af2 n ASN 65 Cb -0.02 -0.72 0.63 0.00 -2.36 0.00 0.00 39.78 37.31 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2af2 h PRO 66 N 2.80 0.00 0.00 -0.53 0.13 -1.96 0.25 132.00 132.69 2af2 h PRO 66 Ca 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 2af2 h PRO 66 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2af2 h PRO 66 CO 1.09 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.14 2af2 n LEU 67 N -2.58 0.00 -2.91 1.56 7.99 -1.26 -4.97 117.00 114.82 2af2 n LEU 67 Ca 0.01 0.38 -0.14 0.00 -0.01 0.00 0.00 56.01 56.25 2af2 n LEU 67 Cb 0.22 -0.38 0.07 0.00 -0.11 0.00 0.00 43.42 43.22 2af2 n LEU 67 CO 0.21 -0.01 0.09 -0.24 -1.51 0.00 0.00 177.39 175.93 2af2 n SER 68 N -1.38 -2.12 -4.17 -1.43 2.88 0.88 -5.01 113.62 103.27 2af2 n SER 68 Ca 0.11 -0.49 -0.27 0.00 -1.33 0.00 0.00 58.87 56.90 2af2 n SER 68 Cb 0.27 -4.14 -0.08 0.00 -0.75 0.00 0.00 64.21 59.51 2af2 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 69 N -5.09 1.98 0.73 -1.46 1.70 -1.26 -5.15 118.95 110.40 2af2 s ARG 69 Ca 0.01 -2.22 -0.05 0.00 -0.47 0.00 0.00 55.73 53.00 2af2 s ARG 69 Cb -0.01 -0.70 0.10 0.00 -0.57 0.00 0.00 34.95 33.78 2af2 s ARG 69 CO 0.57 -0.48 1.02 0.15 -1.08 0.00 0.00 175.30 175.48 2af2 s LYS 70 N -3.71 1.79 -0.09 3.89 -0.14 -1.26 -4.92 119.74 115.29 2af2 s LYS 70 Ca 0.21 -0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 54.00 2af2 s LYS 70 Cb 0.02 -2.23 -0.05 0.00 -1.68 0.00 0.00 37.83 33.90 2af2 s LYS 70 CO 0.13 -1.43 0.34 -1.58 -0.76 0.00 0.00 175.35 172.05 2af2 s HIS 71 N -3.24 3.58 0.00 3.18 5.65 -1.10 -3.78 115.29 119.58 2af2 s HIS 71 Ca 0.64 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.72 2af2 s HIS 71 Cb -0.07 -2.30 0.00 0.00 -1.18 0.00 0.00 32.58 29.03 2af2 s HIS 71 CO 0.45 0.44 0.00 0.41 -0.65 0.00 0.00 174.74 175.39 2af2 n GLY 72 N 2.63 -0.55 0.00 1.59 0.00 -1.26 -0.80 105.19 106.80 2af2 n GLY 72 Ca -0.13 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2af2 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 73 N 0.00 1.56 1.29 -0.02 0.00 -0.74 -4.68 105.19 102.60 2af2 n GLY 73 Ca 0.00 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.65 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 74 N 0.00 3.62 0.00 1.61 -0.04 -1.26 -4.66 135.00 134.27 2af2 n PRO 74 Ca 0.00 -2.83 0.00 0.00 -0.04 0.00 0.00 63.50 60.63 2af2 n PRO 74 Cb 0.00 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2af2 n LYS 75 N 0.36 0.00 -3.76 0.54 2.85 -1.26 -5.10 118.16 111.78 2af2 n LYS 75 Ca 0.23 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.16 2af2 n LYS 75 Cb 0.90 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 35.23 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2af2 s ASP 76 N -0.12 6.47 0.00 -5.58 2.15 -1.22 -5.02 116.67 113.35 2af2 s ASP 76 Ca 0.00 0.52 0.22 0.00 0.43 0.00 0.00 52.55 53.72 2af2 s ASP 76 Cb 0.00 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2af2 s ASP 76 CO 0.00 0.18 1.08 1.21 -0.17 0.00 0.00 175.17 177.47 2af2 n GLU 77 N 0.68 0.77 0.00 4.34 2.13 -1.26 -1.78 120.64 125.52 2af2 n GLU 77 Ca -0.08 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.12 2af2 n GLU 77 Cb 0.52 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.74 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2af2 n GLU 78 N -0.57 0.00 -0.23 5.31 -0.58 -1.26 -4.94 120.64 118.36 2af2 n GLU 78 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2af2 n GLU 78 Cb 0.41 -0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2af2 n GLU 78 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2af2 n ARG 79 N 0.00 0.00 -1.00 3.49 0.63 -1.25 -4.84 116.66 113.70 2af2 n ARG 79 Ca 0.00 0.15 -0.33 0.00 -0.92 0.00 0.00 57.85 56.74 2af2 n ARG 79 Cb 0.00 -0.08 0.13 0.00 0.45 0.00 0.00 32.46 32.96 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2af2 n HIS 80 N 2.13 0.71 -2.11 -0.14 8.25 -1.25 -4.92 115.22 117.89 2af2 n HIS 80 Ca 0.00 0.38 -0.41 0.00 -0.26 0.00 0.00 57.72 57.43 2af2 n HIS 80 Cb 0.00 -2.03 -0.03 0.00 1.12 0.00 0.00 29.99 29.05 2af2 n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2af2 s VAL 81 N -2.24 3.54 0.00 1.59 0.11 -0.99 -2.92 120.40 119.49 2af2 s VAL 81 Ca 0.70 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 2af2 s VAL 81 Cb -0.28 -3.92 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 2af2 s VAL 81 CO 0.55 -0.71 0.00 0.61 -3.33 0.00 0.00 175.10 172.21 2af2 n GLY 82 N 5.44 1.24 3.68 6.54 0.00 -1.26 -4.23 105.19 116.59 2af2 n GLY 82 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2af2 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 83 N -1.89 7.11 -0.62 1.61 1.01 -1.15 -0.74 116.67 121.99 2af2 s ASP 83 Ca 0.00 1.69 0.03 0.00 0.71 0.00 0.00 52.55 54.98 2af2 s ASP 83 Cb 0.00 -2.55 0.38 0.00 1.01 0.00 0.00 42.92 41.75 2af2 s ASP 83 CO 0.00 -0.56 1.33 0.18 0.21 0.00 0.00 175.17 176.33 2af2 n LEU 84 N 5.33 5.50 0.00 1.23 4.77 0.04 -4.98 117.00 128.90 2af2 n LEU 84 Ca 0.11 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.80 2af2 n LEU 84 Cb 0.47 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2af2 n LEU 84 CO 0.54 2.16 0.00 0.61 -1.33 0.00 0.00 177.39 179.37 2af2 n GLY 85 N -0.39 1.89 3.04 -0.72 0.00 -1.26 -4.62 105.19 103.15 2af2 n GLY 85 Ca 0.41 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 2af2 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 86 N -4.00 2.18 -0.77 1.61 0.02 -1.26 -3.58 114.94 109.14 2af2 s ASN 86 Ca 0.00 -0.37 -0.26 0.00 -1.02 0.00 0.00 52.86 51.21 2af2 s ASN 86 Cb 0.00 -0.98 0.02 0.00 0.02 0.00 0.00 41.25 40.31 2af2 s ASN 86 CO 0.00 0.03 1.41 0.68 0.02 0.00 0.00 177.10 179.24 2af2 s VAL 87 N 0.84 3.69 -0.31 1.60 -7.23 0.14 -4.64 120.40 114.49 2af2 s VAL 87 Ca -0.10 0.18 -0.18 0.00 -1.81 0.00 0.00 61.98 60.07 2af2 s VAL 87 Cb -0.15 -4.77 -0.02 0.00 0.56 0.00 0.00 36.38 32.00 2af2 s VAL 87 CO 0.01 -1.71 0.50 -0.89 -0.31 0.00 0.00 175.10 172.71 2af2 s THR 88 N 6.25 5.05 0.03 5.32 2.01 -1.26 -1.81 115.64 131.22 2af2 s THR 88 Ca 0.42 0.58 -0.17 0.00 0.31 0.00 0.00 61.69 62.84 2af2 s THR 88 Cb -0.07 -3.89 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 2af2 s THR 88 CO 0.12 -0.06 0.48 0.00 -0.69 0.00 0.00 174.62 174.46 2af2 s ALA 89 N 2.34 3.65 0.66 7.40 0.00 0.12 -4.24 121.76 131.69 2af2 s ALA 89 Ca 0.19 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 2af2 s ALA 89 Cb -0.15 -2.50 -0.00 0.00 0.00 0.00 0.00 23.12 20.46 2af2 s ALA 89 CO 0.11 0.44 1.08 0.34 0.00 0.00 0.00 175.76 177.73 2af2 s ASP 90 N -1.07 5.29 0.60 0.00 2.15 0.24 -1.00 116.67 122.87 2af2 s ASP 90 Ca 0.26 1.83 0.28 0.00 0.43 0.00 0.00 52.55 55.35 2af2 s ASP 90 Cb -0.18 -2.53 1.22 0.00 -0.30 0.00 0.00 42.92 41.13 2af2 s ASP 90 CO 0.16 -1.51 1.61 0.07 -0.17 0.00 0.00 175.17 175.33 2af2 h LYS 91 N -0.18 0.00 0.00 4.34 5.09 -1.96 0.18 116.57 124.04 2af2 h LYS 91 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.28 2af2 h LYS 91 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 2af2 h LYS 91 CO 0.55 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.66 2af2 n ASP 92 N -3.46 0.00 -0.58 7.07 8.00 -1.26 -4.87 116.55 121.45 2af2 n ASP 92 Ca 0.16 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2af2 n ASP 92 Cb 1.09 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2af2 n GLY 93 N 0.66 0.87 2.90 0.44 0.00 0.61 -4.85 105.19 105.81 2af2 n GLY 93 Ca 0.19 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 2af2 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s VAL 94 N -2.98 -0.07 -0.20 1.61 0.11 -1.12 -0.80 120.40 116.96 2af2 s VAL 94 Ca 0.00 0.20 -0.19 0.00 -2.93 0.00 0.00 61.98 59.07 2af2 s VAL 94 Cb 0.00 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2af2 s VAL 94 CO 0.00 0.08 0.52 0.00 -3.33 0.00 0.00 175.10 172.38 2af2 s ALA 95 N 1.28 3.54 -0.10 1.54 0.00 -0.38 -0.59 121.76 127.05 2af2 s ALA 95 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.49 2af2 s ALA 95 Cb -0.12 -2.82 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2af2 s ALA 95 CO -0.06 -0.45 -0.09 0.34 0.00 0.00 0.00 175.76 175.51 2af2 s ASP 96 N 1.15 4.44 -0.01 0.00 2.15 -1.26 -0.74 116.67 122.40 2af2 s ASP 96 Ca 0.24 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 53.09 2af2 s ASP 96 Cb -0.15 -1.34 0.01 0.00 -0.30 0.00 0.00 42.92 41.13 2af2 s ASP 96 CO 0.10 0.28 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.68 2af2 s VAL 97 N -0.29 0.07 -0.25 1.11 1.01 -0.47 -4.95 120.40 116.63 2af2 s VAL 97 Ca 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2af2 s VAL 97 Cb -0.13 -0.11 0.13 0.00 0.00 0.00 0.00 36.38 36.27 2af2 s VAL 97 CO 0.03 0.05 0.50 -0.55 0.00 0.00 0.00 175.10 175.13 2af2 s SER 98 N 0.33 -0.59 0.04 3.32 0.15 -1.26 -1.52 113.70 114.17 2af2 s SER 98 Ca -0.03 0.98 -0.08 0.00 0.70 0.00 0.00 55.95 57.53 2af2 s SER 98 Cb -0.05 1.70 -0.00 0.00 -1.71 0.00 0.00 66.02 65.96 2af2 s SER 98 CO -0.01 -0.25 0.15 -0.63 1.20 0.00 0.00 173.24 173.71 2af2 s ILE 99 N 2.72 0.12 -0.05 6.45 1.01 0.79 -5.00 121.20 127.24 2af2 s ILE 99 Ca 0.04 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.71 2af2 s ILE 99 Cb -0.13 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.39 2af2 s ILE 99 CO -0.16 -0.56 -0.13 -0.70 0.00 0.00 0.00 174.94 173.38 2af2 s GLU 100 N -2.73 1.66 -0.08 2.79 2.56 -1.26 0.20 118.70 121.83 2af2 s GLU 100 Ca -0.04 -0.46 -0.06 0.00 0.00 0.00 0.00 54.97 54.40 2af2 s GLU 100 Cb -0.00 -1.40 0.02 0.00 2.00 0.00 0.00 34.13 34.75 2af2 s GLU 100 CO -0.05 0.10 0.20 0.34 -0.56 0.00 0.00 175.26 175.29 2af2 s ASP 101 N 0.42 -0.21 -0.52 -1.70 -1.08 -0.61 -5.00 116.67 107.97 2af2 s ASP 101 Ca -0.10 0.41 0.04 0.00 -0.52 0.00 0.00 52.55 52.38 2af2 s ASP 101 Cb -0.14 0.39 0.40 0.00 -1.46 0.00 0.00 42.92 42.11 2af2 s ASP 101 CO 0.03 -0.09 1.23 -1.54 0.52 0.00 0.00 175.17 175.32 2af2 n SER 102 N 3.21 5.12 0.00 -0.34 3.41 -1.26 -1.54 113.62 122.21 2af2 n SER 102 Ca -0.15 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 2af2 n SER 102 Cb 0.57 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2af2 n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2af2 n VAL 103 N -0.45 0.19 -4.15 -3.33 3.14 -1.26 -4.96 118.33 107.50 2af2 n VAL 103 Ca 0.40 -0.36 -0.11 0.00 -2.96 0.00 0.00 64.34 61.31 2af2 n VAL 103 Cb 0.56 1.21 -0.10 0.00 -1.06 0.00 0.00 33.84 34.45 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 2af2 s ILE 104 N -0.19 0.04 0.07 1.55 -0.00 -1.26 -4.66 121.20 116.75 2af2 s ILE 104 Ca 0.00 -1.89 -0.19 0.00 -0.00 0.00 0.00 60.65 58.57 2af2 s ILE 104 Cb 0.00 -2.27 0.04 0.00 -0.00 0.00 0.00 42.46 40.23 2af2 s ILE 104 CO 0.00 -0.19 0.45 -0.44 -0.00 0.00 0.00 174.94 174.76 2af2 s SER 105 N -3.10 -0.33 -1.20 4.36 0.01 -1.26 -4.14 113.70 108.05 2af2 s SER 105 Ca 0.31 -0.02 -0.09 0.00 1.31 0.00 0.00 55.95 57.46 2af2 s SER 105 Cb 0.06 0.46 0.22 0.00 0.21 0.00 0.00 66.02 66.97 2af2 s SER 105 CO 0.07 -0.73 1.61 0.18 0.41 0.00 0.00 173.24 174.78 2af2 n LEU 106 N 0.28 6.21 -4.41 2.44 4.77 -1.26 -0.74 117.00 124.30 2af2 n LEU 106 Ca -0.18 -4.81 -0.30 0.00 -0.03 0.00 0.00 56.01 50.69 2af2 n LEU 106 Cb 0.61 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.12 2af2 n LEU 106 CO 0.19 1.34 -0.53 -0.55 -1.33 0.00 0.00 177.39 176.52 2af2 s SER 107 N 0.54 3.53 0.00 -1.43 0.15 -1.25 -4.77 113.70 110.48 2af2 s SER 107 Ca 0.37 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2af2 s SER 107 Cb 0.04 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 2af2 s SER 107 CO 0.02 0.26 0.64 0.61 1.20 0.00 0.00 173.24 175.96 2af2 n GLY 108 N 1.63 0.51 0.00 9.45 0.00 -1.26 -3.42 105.19 112.10 2af2 n GLY 108 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2af2 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 109 N -0.16 0.00 -0.43 1.61 8.00 -1.26 -4.94 116.55 119.36 2af2 n ASP 109 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2af2 n ASP 109 Cb 0.14 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.63 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2af2 n HIS 110 N -0.07 0.18 -0.34 1.24 8.25 -1.26 -4.92 115.22 118.30 2af2 n HIS 110 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2af2 n HIS 110 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2af2 n HIS 110 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2af2 n SER 111 N 0.08 0.00 -0.04 0.41 7.64 -1.24 -5.01 113.62 115.45 2af2 n SER 111 Ca 0.15 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.96 2af2 n SER 111 Cb 0.26 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.32 2af2 n SER 111 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2af2 n ILE 112 N 0.00 1.38 -1.67 0.44 2.08 0.09 -4.72 119.36 116.95 2af2 n ILE 112 Ca 0.00 -0.79 -0.45 0.00 0.56 0.00 0.00 62.75 62.07 2af2 n ILE 112 Cb 0.00 -0.71 -0.03 0.00 -0.75 0.00 0.00 39.64 38.15 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2af2 n ILE 113 N -2.86 0.61 -1.21 1.39 2.08 -1.22 -1.67 119.36 116.48 2af2 n ILE 113 Ca -0.22 -0.15 -0.07 0.00 0.56 0.00 0.00 62.75 62.87 2af2 n ILE 113 Cb 1.04 -1.51 -0.03 0.00 -0.75 0.00 0.00 39.64 38.39 2af2 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2af2 n GLY 114 N 2.59 0.80 0.00 7.39 0.00 -1.11 -4.60 105.19 110.27 2af2 n GLY 114 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 n ARG 115 N -1.19 0.56 -3.56 1.61 5.12 -0.67 -1.78 116.66 116.75 2af2 n ARG 115 Ca -0.07 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.69 2af2 n ARG 115 Cb 0.44 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.60 2af2 n ARG 115 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2af2 s THR 116 N 0.12 -0.35 -0.05 0.55 2.01 -1.26 -0.92 115.64 115.74 2af2 s THR 116 Ca 0.00 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 2af2 s THR 116 Cb 0.00 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.90 2af2 s THR 116 CO 0.00 -0.06 0.56 -0.22 -0.69 0.00 0.00 174.62 174.22 2af2 s LEU 117 N 2.36 4.36 0.18 4.42 2.96 0.62 -0.18 118.68 133.39 2af2 s LEU 117 Ca 0.05 1.04 0.11 0.00 -0.22 0.00 0.00 54.13 55.10 2af2 s LEU 117 Cb -0.14 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 2af2 s LEU 117 CO -0.10 0.04 -0.21 0.68 -1.32 0.00 0.00 176.35 175.44 2af2 s VAL 118 N 0.20 2.52 0.14 1.68 -7.23 0.21 -0.87 120.40 117.05 2af2 s VAL 118 Ca 0.30 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.62 2af2 s VAL 118 Cb -0.17 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2af2 s VAL 118 CO 0.15 -0.09 -0.10 0.54 -0.31 0.00 0.00 175.10 175.29 2af2 s VAL 119 N -1.61 3.26 0.07 1.32 0.11 0.38 -2.05 120.40 121.88 2af2 s VAL 119 Ca 0.21 -1.47 0.07 0.00 -2.93 0.00 0.00 61.98 57.86 2af2 s VAL 119 Cb -0.08 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.16 2af2 s VAL 119 CO 0.11 0.00 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.72 2af2 s HIS 120 N -1.44 2.61 0.35 1.54 3.76 -0.63 -1.74 115.29 119.73 2af2 s HIS 120 Ca 0.23 -0.22 0.32 0.00 -0.15 0.00 0.00 55.06 55.23 2af2 s HIS 120 Cb -0.10 -1.43 1.56 0.00 1.11 0.00 0.00 32.58 33.72 2af2 s HIS 120 CO 0.14 0.33 2.08 1.49 -0.85 0.00 0.00 174.74 177.94 2af2 h GLU 121 N 4.13 0.00 -5.02 1.40 4.22 -1.41 -3.36 114.58 114.55 2af2 h GLU 121 Ca -0.49 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.43 2af2 h GLU 121 Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 2af2 h GLU 121 CO 0.48 0.08 -0.53 0.15 -2.18 0.00 0.00 179.01 177.01 2af2 s LYS 122 N -3.99 1.84 0.48 1.92 -0.14 -0.83 -4.90 119.74 114.13 2af2 s LYS 122 Ca -0.02 -2.10 -0.23 0.00 -1.36 0.00 0.00 55.97 52.26 2af2 s LYS 122 Cb 0.12 -0.47 -0.08 0.00 -1.68 0.00 0.00 37.83 35.72 2af2 s LYS 122 CO 0.55 -0.47 1.17 0.00 -0.76 0.00 0.00 175.35 175.84 2af2 n ALA 123 N -0.82 0.90 -1.83 5.17 0.00 -0.98 -1.79 120.51 121.16 2af2 n ALA 123 Ca -0.03 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 2af2 n ALA 123 Cb 0.65 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 17.98 2af2 n ALA 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2af2 s ASP 124 N -0.80 4.45 0.08 0.00 1.01 -1.26 -3.70 116.67 116.45 2af2 s ASP 124 Ca 0.67 0.87 -0.11 0.00 0.71 0.00 0.00 52.55 54.68 2af2 s ASP 124 Cb -0.48 -1.41 -0.22 0.00 1.01 0.00 0.00 42.92 41.82 2af2 s ASP 124 CO 0.54 -1.95 1.19 -2.24 0.21 0.00 0.00 175.17 172.92 2af2 h ASP 125 N -1.09 0.77 -5.04 0.27 3.04 -1.51 -3.47 116.42 109.40 2af2 h ASP 125 Ca -0.47 -0.66 -0.20 0.00 -3.24 0.00 0.00 57.03 52.46 2af2 h ASP 125 Cb 1.32 -0.24 0.16 0.00 -1.04 0.00 0.00 39.33 39.53 2af2 h ASP 125 CO 0.65 1.47 -0.69 0.18 -2.04 0.00 0.00 179.24 178.80 2af2 n LEU 126 N -3.78 -5.08 0.00 0.15 7.99 -1.26 -4.84 117.00 110.18 2af2 n LEU 126 Ca -0.11 -0.57 0.00 0.00 -0.01 0.00 0.00 56.01 55.32 2af2 n LEU 126 Cb 0.91 -2.77 0.00 0.00 -0.11 0.00 0.00 43.42 41.45 2af2 n LEU 126 CO 0.55 0.05 0.00 0.61 -1.51 0.00 0.00 177.39 177.09 2af2 n GLY 127 N -1.29 -1.31 2.86 -0.72 0.00 0.02 -3.39 105.19 101.37 2af2 n GLY 127 Ca -0.06 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 2af2 n GLY 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2af2 s LYS 128 N 0.00 0.45 1.06 1.61 2.20 -1.26 -4.07 119.74 119.74 2af2 s LYS 128 Ca 0.00 -0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.30 2af2 s LYS 128 Cb 0.00 -0.45 0.23 0.00 -1.51 0.00 0.00 37.83 36.10 2af2 s LYS 128 CO 0.00 -1.07 1.18 0.20 -0.36 0.00 0.00 175.35 175.30 2af2 s GLY 129 N 2.26 1.64 0.00 5.54 0.00 -1.26 -4.91 107.32 110.59 2af2 s GLY 129 Ca 0.11 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.90 2af2 s GLY 129 CO -0.25 -0.15 0.30 0.61 0.00 0.00 0.00 173.10 173.61 2af2 n GLY 130 N -2.11 0.61 0.00 0.20 0.00 -1.26 -4.45 105.19 98.18 2af2 n GLY 130 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2af2 n GLY 130 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2af2 n ASN 131 N 0.84 0.00 0.04 1.61 0.23 -1.26 -5.10 115.26 111.62 2af2 n ASN 131 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2af2 n ASN 131 Cb 0.15 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.85 2af2 n ASN 131 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2af2 n GLU 132 N 0.00 0.00 -0.25 -3.83 0.00 -1.26 -4.89 120.64 110.41 2af2 n GLU 132 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 57.16 57.43 2af2 n GLU 132 Cb 0.00 0.00 0.65 0.00 0.00 0.00 0.00 31.44 32.09 2af2 n GLU 132 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2af2 h GLU 133 N 0.00 0.15 -0.90 5.31 4.57 -1.99 0.28 114.58 122.00 2af2 h GLU 133 Ca 0.00 -0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.33 2af2 h GLU 133 Cb 0.00 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.48 2af2 h GLU 133 CO 0.00 0.10 0.58 0.66 -1.18 0.00 0.00 179.01 179.17 2af2 h SER 134 N 0.15 0.60 1.81 1.04 4.64 -1.86 0.13 113.55 120.06 2af2 h SER 134 Ca 0.50 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.84 2af2 h SER 134 Cb 1.69 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.71 2af2 h SER 134 CO -0.09 0.28 -0.09 0.71 -0.87 0.00 0.00 176.83 176.76 2af2 h THR 135 N 0.62 0.17 0.01 2.95 1.35 -0.58 -1.13 112.91 116.30 2af2 h THR 135 Ca 0.47 -1.18 -0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2af2 h THR 135 Cb 0.86 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 2af2 h THR 135 CO -0.22 0.09 -0.00 0.11 -0.25 0.00 0.00 175.52 175.25 2af2 h LYS 136 N 0.00 -0.01 -0.00 4.72 1.57 -0.93 -2.91 116.57 119.01 2af2 h LYS 136 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2af2 h LYS 136 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2af2 h LYS 136 CO 0.01 -0.01 -0.54 0.25 -0.57 0.00 0.00 179.45 178.60 2af2 n THR 137 N -3.52 0.00 -0.01 -0.16 -2.24 0.27 -4.50 114.28 104.12 2af2 n THR 137 Ca -0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2af2 n THR 137 Cb 0.00 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 2af2 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2af2 n GLY 138 N 1.26 1.00 4.43 3.38 0.00 -0.43 -4.58 105.19 110.26 2af2 n GLY 138 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2af2 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2af2 n ASN 139 N 0.00 0.00 -0.27 1.61 4.05 -1.23 -1.19 115.26 118.23 2af2 n ASN 139 Ca 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.00 2af2 n ASN 139 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 n ALA 140 N 0.00 -0.05 0.00 5.20 0.00 -1.26 -3.14 120.51 121.27 2af2 n ALA 140 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2af2 n ALA 140 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2af2 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 141 N 0.63 0.82 0.00 0.00 0.00 -1.24 -1.97 105.19 103.42 2af2 n GLY 141 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2af2 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2af2 n SER 142 N 0.85 0.00 -1.24 1.61 2.88 -1.19 -4.93 113.62 111.60 2af2 n SER 142 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2af2 n SER 142 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2af2 n SER 142 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2af2 n ARG 143 N 0.00 2.61 0.00 -1.46 3.00 -1.26 -4.37 116.66 115.18 2af2 n ARG 143 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2af2 n ARG 143 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2af2 n ARG 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2af2 n LEU 144 N 0.00 0.00 -4.68 0.55 0.00 -0.71 -1.40 117.00 110.76 2af2 n LEU 144 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.63 2af2 n LEU 144 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.48 2af2 n LEU 144 CO 0.00 0.00 0.76 0.00 0.00 0.00 0.00 177.39 178.15 2af2 n ALA 145 N -3.00 0.80 -3.21 1.96 0.00 -1.24 -4.68 120.51 111.15 2af2 n ALA 145 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2af2 n ALA 145 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.12 2af2 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2af2 s GLY 147 N -1.15 -0.46 0.44 0.00 0.00 -0.05 -0.78 107.32 105.32 2af2 s GLY 147 Ca -0.12 1.77 -0.22 0.00 0.00 0.00 0.00 44.72 46.16 2af2 s GLY 147 CO 0.03 1.64 1.02 0.14 0.00 0.00 0.00 173.10 175.94 2af2 s VAL 148 N 0.72 3.90 -0.62 1.40 1.01 -1.26 -0.28 120.40 125.28 2af2 s VAL 148 Ca -0.03 1.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.97 2af2 s VAL 148 Cb -0.05 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.80 2af2 s VAL 148 CO -0.05 -0.17 1.08 -0.63 0.00 0.00 0.00 175.10 175.34 2af2 s ILE 149 N -1.91 4.14 0.51 2.22 1.09 -0.09 -4.20 121.20 122.96 2af2 s ILE 149 Ca 0.63 0.36 0.09 0.00 -1.10 0.00 0.00 60.65 60.63 2af2 s ILE 149 Cb -0.17 -4.69 0.05 0.00 -1.06 0.00 0.00 42.46 36.59 2af2 s ILE 149 CO 0.21 -1.39 0.66 -0.83 -0.10 0.00 0.00 174.94 173.49 2af2 s GLY 150 N 3.20 1.89 -0.03 6.18 0.00 0.02 -2.74 107.32 115.84 2af2 s GLY 150 Ca 0.33 -1.91 0.04 0.00 0.00 0.00 0.00 44.72 43.19 2af2 s GLY 150 CO 0.18 -1.65 -0.15 -0.26 0.00 0.00 0.00 173.10 171.22 2af2 s ILE 151 N -2.57 3.01 -0.38 0.90 -5.25 -1.26 -0.58 121.20 115.07 2af2 s ILE 151 Ca 0.56 -0.80 0.12 0.00 -0.99 0.00 0.00 60.65 59.54 2af2 s ILE 151 Cb -0.06 -2.19 0.41 0.00 2.95 0.00 0.00 42.46 43.56 2af2 s ILE 151 CO 0.35 0.55 1.17 0.00 -1.79 0.00 0.00 174.94 175.21 2af2 n ALA 152 N 2.18 1.87 -1.52 2.27 0.00 -0.71 -4.92 120.51 119.68 2af2 n ALA 152 Ca -0.17 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.22 2af2 n ALA 152 Cb 0.52 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44