#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 n THR 2 N 0.00 3.31 -3.57 0.00 -2.24 -1.25 -4.39 114.28 106.14 2af2 n THR 2 Ca 0.00 -2.39 -0.05 0.00 -2.27 0.00 0.00 64.05 59.34 2af2 n THR 2 Cb 0.00 -2.49 -0.06 0.00 -2.10 0.00 0.00 70.33 65.68 2af2 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2af2 s LYS 3 N 3.19 0.44 0.19 -0.78 0.00 -1.25 -4.12 119.74 117.41 2af2 s LYS 3 Ca 0.55 1.13 0.09 0.00 0.00 0.00 0.00 55.97 57.74 2af2 s LYS 3 Cb 0.15 0.47 -0.04 0.00 0.00 0.00 0.00 37.83 38.40 2af2 s LYS 3 CO -0.04 -0.31 -0.18 0.00 0.00 0.00 0.00 175.35 174.81 2af2 s ALA 4 N 2.73 2.17 0.05 0.59 0.00 -0.59 -0.54 121.76 126.17 2af2 s ALA 4 Ca 0.01 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 2af2 s ALA 4 Cb -0.13 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.85 2af2 s ALA 4 CO -0.16 0.23 0.46 0.08 0.00 0.00 0.00 175.76 176.37 2af2 s VAL 5 N -2.26 0.04 -0.05 0.00 1.01 -0.57 -0.68 120.40 117.90 2af2 s VAL 5 Ca 0.20 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2af2 s VAL 5 Cb -0.05 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2af2 s VAL 5 CO 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 175.10 174.94 2af2 s ALA 6 N -2.55 0.75 -0.58 5.51 0.00 -0.43 -2.63 121.76 121.83 2af2 s ALA 6 Ca -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 2af2 s ALA 6 Cb -0.01 -0.49 0.15 0.00 0.00 0.00 0.00 23.12 22.77 2af2 s ALA 6 CO -0.03 -0.07 0.40 0.14 0.00 0.00 0.00 175.76 176.20 2af2 s VAL 7 N 1.05 3.70 0.45 0.00 -7.23 -1.26 -1.33 120.40 115.77 2af2 s VAL 7 Ca -0.09 -2.72 -0.21 0.00 -1.81 0.00 0.00 61.98 57.15 2af2 s VAL 7 Cb -0.14 -3.43 -0.09 0.00 0.56 0.00 0.00 36.38 33.27 2af2 s VAL 7 CO -0.01 -0.84 1.00 -0.76 -0.31 0.00 0.00 175.10 174.19 2af2 s LEU 8 N 0.24 3.94 0.03 1.32 1.02 0.84 -4.80 118.68 121.27 2af2 s LEU 8 Ca 0.15 1.86 -0.22 0.00 0.02 0.00 0.00 54.13 55.94 2af2 s LEU 8 Cb -0.21 -4.48 0.05 0.00 0.02 0.00 0.00 46.19 41.58 2af2 s LEU 8 CO -0.04 -0.56 0.49 -0.75 0.02 0.00 0.00 176.35 175.52 2af2 s LYS 9 N -3.05 0.97 0.00 1.70 2.20 -0.71 -2.18 119.74 118.66 2af2 s LYS 9 Ca 0.63 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 2af2 s LYS 9 Cb -0.15 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2af2 s LYS 9 CO 0.19 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 2af2 n GLY 10 N 0.59 0.90 3.41 5.54 0.00 -1.24 -1.65 105.19 112.75 2af2 n GLY 10 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2af2 n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 11 N 0.14 -0.48 0.00 1.61 1.01 -1.26 -5.01 116.67 112.68 2af2 s ASP 11 Ca 0.00 0.56 0.00 0.00 0.71 0.00 0.00 52.55 53.82 2af2 s ASP 11 Cb 0.00 0.55 0.00 0.00 1.01 0.00 0.00 42.92 44.48 2af2 s ASP 11 CO 0.00 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 175.50 2af2 n GLY 12 N 1.33 -2.01 1.50 0.21 0.00 -1.26 -4.62 105.19 100.34 2af2 n GLY 12 Ca -0.19 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.04 0.69 -3.95 1.61 -0.04 -1.26 -4.73 135.00 127.27 2af2 n PRO 13 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2af2 n PRO 13 Cb 0.00 -1.16 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.55 3.93 0.17 0.52 1.01 -1.26 -3.91 120.40 121.42 2af2 s VAL 14 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 2af2 s VAL 14 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2af2 s VAL 14 CO 0.00 0.40 0.25 -1.10 0.00 0.00 0.00 175.10 174.66 2af2 s GLN 15 N 1.26 1.18 -0.25 2.72 1.11 -0.20 -3.61 119.66 121.88 2af2 s GLN 15 Ca 0.04 -1.29 -0.15 0.00 0.01 0.00 0.00 55.36 53.97 2af2 s GLN 15 Cb -0.15 0.35 0.07 0.00 -1.01 0.00 0.00 33.01 32.28 2af2 s GLN 15 CO 0.01 -0.42 0.61 0.20 0.01 0.00 0.00 175.29 175.70 2af2 s GLY 16 N -3.01 -0.53 -0.13 3.09 0.00 -0.93 -0.38 107.32 105.43 2af2 s GLY 16 Ca 0.22 2.10 -0.15 0.00 0.00 0.00 0.00 44.72 46.88 2af2 s GLY 16 CO 0.03 2.08 0.36 -1.50 0.00 0.00 0.00 173.10 174.06 2af2 s ILE 17 N 1.35 5.25 -0.09 0.90 -1.16 0.02 -0.11 121.20 127.35 2af2 s ILE 17 Ca -0.08 0.69 -0.00 0.00 -0.51 0.00 0.00 60.65 60.75 2af2 s ILE 17 Cb -0.06 -3.69 0.02 0.00 0.61 0.00 0.00 42.46 39.34 2af2 s ILE 17 CO -0.14 0.39 -0.07 -0.63 -2.81 0.00 0.00 174.94 171.68 2af2 s ILE 18 N 0.34 0.87 -0.04 2.00 -1.09 -0.44 -0.68 121.20 122.15 2af2 s ILE 18 Ca 0.20 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.43 2af2 s ILE 18 Cb -0.14 -0.90 -0.03 0.00 -1.58 0.00 0.00 42.46 39.82 2af2 s ILE 18 CO 0.07 0.33 -0.10 0.20 -1.23 0.00 0.00 174.94 174.21 2af2 s ASN 19 N 1.51 4.37 -0.29 3.58 0.02 0.01 -1.31 114.94 122.82 2af2 s ASN 19 Ca 0.00 -0.14 0.00 0.00 -1.02 0.00 0.00 52.86 51.70 2af2 s ASN 19 Cb -0.13 -0.99 0.06 0.00 0.02 0.00 0.00 41.25 40.20 2af2 s ASN 19 CO -0.05 0.33 -0.03 -0.36 0.02 0.00 0.00 177.10 177.01 2af2 s PHE 20 N -0.84 3.32 -0.27 2.20 0.40 0.15 -1.86 117.98 121.07 2af2 s PHE 20 Ca 0.13 -2.15 -0.22 0.00 -0.60 0.00 0.00 56.93 54.09 2af2 s PHE 20 Cb -0.11 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.25 2af2 s PHE 20 CO 0.03 -0.85 0.72 -2.00 0.70 0.00 0.00 175.22 173.82 2af2 s GLU 21 N 1.17 4.06 -0.11 0.44 -6.30 0.09 -1.54 118.70 116.50 2af2 s GLU 21 Ca -0.05 0.63 -0.11 0.00 -2.50 0.00 0.00 54.97 52.94 2af2 s GLU 21 Cb -0.20 -3.68 0.03 0.00 0.00 0.00 0.00 34.13 30.28 2af2 s GLU 21 CO -0.03 -0.53 0.31 -1.14 0.02 0.00 0.00 175.26 173.89 2af2 s GLN 22 N 2.72 0.37 -0.12 4.30 2.00 -1.26 -1.10 119.66 126.58 2af2 s GLN 22 Ca 0.30 0.42 0.17 0.00 -2.00 0.00 0.00 55.36 54.25 2af2 s GLN 22 Cb -0.15 0.18 -0.24 0.00 0.80 0.00 0.00 33.01 33.60 2af2 s GLN 22 CO 0.10 -0.05 0.33 0.36 -0.50 0.00 0.00 175.29 175.53 2af2 n LYS 23 N 2.86 0.67 0.00 1.67 0.00 -1.26 -3.92 118.16 118.18 2af2 n LYS 23 Ca -0.13 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2af2 n LYS 23 Cb 0.58 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 34.00 2af2 n LYS 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2af2 n GLU 24 N -2.77 0.00 -0.00 -1.58 -0.00 -1.26 -4.97 120.64 110.07 2af2 n GLU 24 Ca -0.23 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 56.96 2af2 n GLU 24 Cb 1.03 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 32.42 2af2 n GLU 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2af2 n SER 25 N 0.00 0.85 0.00 -1.84 3.41 -1.26 -4.72 113.62 110.06 2af2 n SER 25 Ca 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 2af2 n SER 25 Cb 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 2af2 n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2af2 n ASN 26 N -1.27 1.97 -4.60 4.04 3.02 -1.26 -4.70 115.26 112.46 2af2 n ASN 26 Ca 0.01 -0.10 -0.29 0.00 -0.03 0.00 0.00 54.58 54.17 2af2 n ASN 26 Cb 0.13 0.59 0.17 0.00 -0.61 0.00 0.00 39.78 40.06 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2af2 s GLY 27 N -0.98 1.57 0.16 7.41 0.00 -1.26 -4.90 107.32 109.31 2af2 s GLY 27 Ca 0.00 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 43.96 2af2 s GLY 27 CO 0.00 0.12 0.74 2.56 0.00 0.00 0.00 173.10 176.51 2af2 s PRO 28 N -5.14 4.48 -0.17 2.90 0.04 -1.26 -4.80 135.00 131.04 2af2 s PRO 28 Ca 0.66 1.06 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 2af2 s PRO 28 Cb -0.16 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 2af2 s PRO 28 CO 0.56 0.57 0.10 0.08 0.04 0.00 0.00 177.00 178.35 2af2 s VAL 29 N -1.18 5.16 -0.18 -0.36 1.01 0.03 -4.72 120.40 120.17 2af2 s VAL 29 Ca 0.35 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2af2 s VAL 29 Cb -0.22 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2af2 s VAL 29 CO 0.24 0.49 0.48 -0.75 0.00 0.00 0.00 175.10 175.56 2af2 s LYS 30 N 0.04 4.23 -0.17 2.72 2.20 -0.26 -1.71 119.74 126.80 2af2 s LYS 30 Ca 0.08 0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 56.03 2af2 s LYS 30 Cb -0.12 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2af2 s LYS 30 CO -0.00 -0.03 -0.05 0.08 -0.36 0.00 0.00 175.35 174.99 2af2 s VAL 31 N 1.25 3.69 0.09 4.02 1.01 0.15 -0.73 120.40 129.89 2af2 s VAL 31 Ca 0.23 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2af2 s VAL 31 Cb -0.15 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2af2 s VAL 31 CO 0.09 0.48 -0.07 -1.66 0.00 0.00 0.00 175.10 173.95 2af2 s TRP 32 N 0.61 0.87 -5.00 5.22 -2.14 -0.78 -0.98 118.94 116.74 2af2 s TRP 32 Ca -0.03 -0.90 0.00 0.00 2.66 0.00 0.00 56.10 57.83 2af2 s TRP 32 Cb -0.15 -0.51 0.00 0.00 -3.10 0.00 0.00 33.47 29.72 2af2 s TRP 32 CO 0.03 -0.15 0.00 0.41 -2.66 0.00 0.00 176.95 174.57 2af2 n GLY 33 N 0.03 -0.48 3.60 3.67 0.00 -0.46 -0.81 105.19 110.75 2af2 n GLY 33 Ca -0.13 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.09 2af2 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2af2 s SER 34 N -1.31 -0.72 -0.23 1.61 0.01 0.14 -0.00 113.70 113.20 2af2 s SER 34 Ca 0.00 1.30 -0.03 0.00 1.31 0.00 0.00 55.95 58.54 2af2 s SER 34 Cb 0.00 1.29 0.01 0.00 0.21 0.00 0.00 66.02 67.53 2af2 s SER 34 CO 0.00 -0.31 -0.06 -0.63 0.41 0.00 0.00 173.24 172.65 2af2 s ILE 35 N 0.11 3.09 -0.13 1.44 1.09 0.51 -0.80 121.20 126.51 2af2 s ILE 35 Ca -0.02 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.84 2af2 s ILE 35 Cb -0.04 -2.45 -0.01 0.00 -1.06 0.00 0.00 42.46 38.90 2af2 s ILE 35 CO 0.02 0.37 -0.16 -0.75 -0.10 0.00 0.00 174.94 174.32 2af2 s LYS 36 N 1.42 3.28 0.00 2.79 2.47 0.49 -0.56 119.74 129.62 2af2 s LYS 36 Ca 0.04 -0.74 0.00 0.00 -1.56 0.00 0.00 55.97 53.71 2af2 s LYS 36 Cb -0.15 -2.57 0.00 0.00 -1.46 0.00 0.00 37.83 33.65 2af2 s LYS 36 CO -0.05 0.15 0.00 0.41 0.16 0.00 0.00 175.35 176.02 2af2 n GLY 37 N 3.68 1.17 3.86 5.54 0.00 -0.40 -1.04 105.19 118.01 2af2 n GLY 37 Ca -0.19 0.00 -0.31 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 3.43 0.52 0.99 1.43 -1.04 -4.79 118.68 119.22 2af2 s LEU 38 Ca 0.00 1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 2af2 s LEU 38 Cb 0.00 -4.41 -0.07 0.00 0.03 0.00 0.00 46.19 41.74 2af2 s LEU 38 CO 0.00 -0.72 1.04 0.28 0.23 0.00 0.00 176.35 177.17 2af2 s THR 39 N -2.91 3.89 0.54 5.49 -1.32 -1.26 -4.29 115.64 115.78 2af2 s THR 39 Ca 0.55 1.06 -0.21 0.00 -1.21 0.00 0.00 61.69 61.88 2af2 s THR 39 Cb -0.11 -3.46 -0.06 0.00 -1.51 0.00 0.00 72.50 67.37 2af2 s THR 39 CO 0.44 -0.37 1.14 -1.84 -2.21 0.00 0.00 174.62 171.78 2af2 n GLU 40 N -1.36 1.32 0.00 7.08 0.28 -1.26 -4.53 120.64 122.17 2af2 n GLU 40 Ca 0.09 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 2af2 n GLU 40 Cb 0.53 -2.31 0.00 0.00 1.43 0.00 0.00 31.44 31.08 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2af2 n GLY 41 N 1.04 -1.01 3.82 -1.84 0.00 -1.06 -4.91 105.19 101.24 2af2 n GLY 41 Ca 0.11 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 2af2 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 42 N 0.00 3.58 -0.20 0.99 1.43 -1.26 -1.43 118.68 121.78 2af2 s LEU 42 Ca 0.00 1.69 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 2af2 s LEU 42 Cb 0.00 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.78 2af2 s LEU 42 CO 0.00 -0.85 0.45 -1.00 0.23 0.00 0.00 176.35 175.18 2af2 s HIS 43 N -2.53 -0.80 0.56 0.29 3.76 0.53 -2.63 115.29 114.46 2af2 s HIS 43 Ca 0.61 1.56 -0.18 0.00 -0.15 0.00 0.00 55.06 56.90 2af2 s HIS 43 Cb -0.13 0.36 -0.05 0.00 1.11 0.00 0.00 32.58 33.87 2af2 s HIS 43 CO 0.33 -0.46 1.09 0.20 -0.85 0.00 0.00 174.74 175.05 2af2 s GLY 44 N 2.23 2.43 -0.08 -2.22 0.00 -1.01 0.49 107.32 109.16 2af2 s GLY 44 Ca -0.05 0.64 -0.08 0.00 0.00 0.00 0.00 44.72 45.24 2af2 s GLY 44 CO -0.14 0.98 0.22 -0.11 0.00 0.00 0.00 173.10 174.06 2af2 s PHE 45 N -2.04 -0.24 0.03 1.90 -0.12 -1.10 -0.55 117.98 115.86 2af2 s PHE 45 Ca 0.69 0.58 -0.12 0.00 -0.05 0.00 0.00 56.93 58.03 2af2 s PHE 45 Cb -0.20 0.08 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 2af2 s PHE 45 CO 0.29 -0.12 0.26 -1.01 -0.05 0.00 0.00 175.22 174.59 2af2 s HIS 46 N 0.09 -0.06 0.48 3.49 0.09 -0.41 -3.45 115.29 115.51 2af2 s HIS 46 Ca -0.00 -0.05 -0.18 0.00 -0.00 0.00 0.00 55.06 54.82 2af2 s HIS 46 Cb -0.02 0.05 -0.09 0.00 -0.00 0.00 0.00 32.58 32.52 2af2 s HIS 46 CO 0.00 -0.44 0.97 0.14 -0.00 0.00 0.00 174.74 175.41 2af2 s VAL 47 N -2.23 4.47 0.50 -0.90 -7.23 -1.20 -0.49 120.40 113.33 2af2 s VAL 47 Ca -0.07 1.33 0.02 0.00 -1.81 0.00 0.00 61.98 61.45 2af2 s VAL 47 Cb -0.02 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.27 2af2 s VAL 47 CO -0.02 -0.53 0.71 -1.00 -0.31 0.00 0.00 175.10 173.96 2af2 s HIS 48 N -2.43 2.98 -0.92 2.82 3.76 0.13 -4.14 115.29 117.48 2af2 s HIS 48 Ca 0.60 0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 55.30 2af2 s HIS 48 Cb -0.10 -2.56 -0.10 0.00 1.11 0.00 0.00 32.58 30.94 2af2 s HIS 48 CO 0.23 -0.64 2.10 -2.00 -0.85 0.00 0.00 174.74 173.59 2af2 s GLU 49 N -4.64 2.12 0.11 1.40 2.56 0.83 -2.85 118.70 118.21 2af2 s GLU 49 Ca 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 54.97 55.32 2af2 s GLU 49 Cb -0.10 -4.99 0.00 0.00 2.00 0.00 0.00 34.13 31.03 2af2 s GLU 49 CO 0.38 -4.00 0.00 1.19 -0.56 0.00 0.00 175.26 172.27 2af2 n PHE 50 N 16.04 -1.08 1.14 5.30 3.72 -1.26 -4.52 117.46 136.79 2af2 n PHE 50 Ca 0.43 0.54 0.12 0.00 -0.05 0.00 0.00 57.45 58.49 2af2 n PHE 50 Cb 0.46 -0.98 0.20 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.18 -0.18 2.99 1.37 0.00 0.16 -3.64 105.19 103.70 2af2 n GLY 51 Ca -0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 2af2 n GLY 51 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 52 N -0.19 2.56 0.00 1.61 -0.08 -1.26 -1.89 116.55 117.30 2af2 n ASP 52 Ca 0.11 -2.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.99 2af2 n ASP 52 Cb 0.42 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 42.99 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2af2 n ASN 53 N 6.17 0.00 0.00 1.67 0.23 -1.26 -4.90 115.26 117.17 2af2 n ASN 53 Ca 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 2af2 n ASN 53 Cb 0.24 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 2af2 n ASN 53 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2af2 n THR 54 N 0.00 0.00 0.85 5.53 5.66 -0.79 -4.25 114.28 121.27 2af2 n THR 54 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 2af2 n THR 54 Cb 0.00 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.01 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2af2 n ALA 55 N 0.00 1.97 -0.86 1.79 0.00 -1.26 -4.03 120.51 118.13 2af2 n ALA 55 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2af2 n ALA 55 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.12 3.49 0.00 0.00 0.00 -1.26 -3.52 105.19 103.78 2af2 n GLY 56 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.32 0.00 -0.01 0.00 5.66 -1.23 -4.69 114.28 112.70 2af2 n THR 58 Ca 0.00 -0.43 -0.01 0.00 -3.05 0.00 0.00 64.05 60.56 2af2 n THR 58 Cb 0.09 1.25 -0.01 0.00 -1.55 0.00 0.00 70.33 70.12 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 0.39 4.08 -4.21 1.09 7.64 0.10 -5.09 113.62 117.64 2af2 n SER 59 Ca 0.08 -0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.80 2af2 n SER 59 Cb 0.34 0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 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 -2.03 1.58 -0.00 -0.43 0.00 0.03 -5.01 121.76 115.91 2af2 s ALA 60 Ca -0.01 -1.80 -0.00 0.00 0.00 0.00 0.00 51.96 50.14 2af2 s ALA 60 Cb 0.00 1.19 -0.00 0.00 0.00 0.00 0.00 23.12 24.31 2af2 s ALA 60 CO 0.03 -0.51 -0.00 0.41 0.00 0.00 0.00 175.76 175.69 2af2 n GLY 61 N -0.42 -0.19 1.65 0.00 0.00 -1.26 -3.58 105.19 101.39 2af2 n GLY 61 Ca 0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2af2 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 62 N -2.53 -0.06 -4.06 1.61 -0.04 -1.26 -4.87 135.00 123.79 2af2 n PRO 62 Ca -0.00 -1.04 -0.35 0.00 -0.04 0.00 0.00 63.50 62.07 2af2 n PRO 62 Cb 0.01 -0.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.64 3.26 -0.37 0.54 3.76 -1.26 -0.12 115.29 119.47 2af2 s HIS 63 Ca 0.30 0.12 -0.40 0.00 -0.15 0.00 0.00 55.06 54.93 2af2 s HIS 63 Cb -0.01 -2.02 -0.15 0.00 1.11 0.00 0.00 32.58 31.51 2af2 s HIS 63 CO 0.20 0.25 1.99 0.34 -0.85 0.00 0.00 174.74 176.68 2af2 n PHE 64 N 3.18 1.68 -1.52 1.40 7.35 -1.13 -4.60 117.46 123.81 2af2 n PHE 64 Ca -0.17 0.53 -0.10 0.00 -0.76 0.00 0.00 57.45 56.94 2af2 n PHE 64 Cb 0.53 -2.44 0.17 0.00 0.35 0.00 0.00 39.48 38.09 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 7.43 3.21 0.26 -2.13 0.23 -1.26 -4.35 115.26 118.66 2af2 n ASN 65 Ca 0.38 -3.79 0.18 0.00 -0.53 0.00 0.00 54.58 50.83 2af2 n ASN 65 Cb 0.12 -0.64 0.91 0.00 -2.08 0.00 0.00 39.78 38.09 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2af2 h PRO 66 N 1.23 0.00 0.00 -0.53 0.13 -1.94 0.17 132.00 131.05 2af2 h PRO 66 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 2af2 h PRO 66 Cb 1.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.76 2af2 h PRO 66 CO 0.56 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.61 2af2 n LEU 67 N -3.44 0.00 -2.65 1.56 7.99 -1.26 -4.93 117.00 114.27 2af2 n LEU 67 Ca -0.00 0.02 -0.11 0.00 -0.01 0.00 0.00 56.01 55.91 2af2 n LEU 67 Cb 0.29 -0.02 0.05 0.00 -0.11 0.00 0.00 43.42 43.63 2af2 n LEU 67 CO 0.23 -0.00 0.04 -0.24 -1.51 0.00 0.00 177.39 175.91 2af2 n SER 68 N -1.02 -3.73 -4.05 -1.43 2.88 0.59 -5.02 113.62 101.84 2af2 n SER 68 Ca 0.21 -0.45 -0.12 0.00 -1.33 0.00 0.00 58.87 57.19 2af2 n SER 68 Cb 0.11 -3.64 -0.08 0.00 -0.75 0.00 0.00 64.21 59.85 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 -4.37 1.36 0.77 -1.46 1.70 -1.25 -5.18 118.95 110.52 2af2 s ARG 69 Ca 0.17 -1.57 -0.08 0.00 -0.47 0.00 0.00 55.73 53.78 2af2 s ARG 69 Cb -0.02 0.33 0.17 0.00 -0.57 0.00 0.00 34.95 34.86 2af2 s ARG 69 CO 0.49 -0.49 1.05 1.63 -1.08 0.00 0.00 175.30 176.90 2af2 n LYS 70 N -0.33 -0.66 -3.84 3.89 4.01 -1.26 -4.92 118.16 115.04 2af2 n LYS 70 Ca 0.01 -2.08 -0.37 0.00 -0.51 0.00 0.00 58.31 55.37 2af2 n LYS 70 Cb 0.65 -0.94 -0.06 0.00 -0.51 0.00 0.00 35.03 34.17 2af2 n LYS 70 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2af2 s HIS 71 N -3.20 3.61 -1.97 2.13 5.65 -1.07 -3.56 115.29 116.88 2af2 s HIS 71 Ca 0.63 0.57 0.00 0.00 0.25 0.00 0.00 55.06 56.51 2af2 s HIS 71 Cb -0.02 -1.97 0.00 0.00 -1.18 0.00 0.00 32.58 29.40 2af2 s HIS 71 CO 0.43 0.72 0.00 0.41 -0.65 0.00 0.00 174.74 175.66 2af2 n GLY 72 N 2.00 0.05 0.00 1.59 0.00 0.15 -1.65 105.19 107.34 2af2 n GLY 72 Ca -0.19 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.47 0.05 -0.02 0.00 -0.80 -4.37 105.19 99.59 2af2 n GLY 73 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 0.07 0.00 1.61 -0.04 -1.26 -2.06 135.00 133.33 2af2 n PRO 74 Ca 0.00 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2af2 n PRO 74 Cb 0.00 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.77 -0.19 -3.97 0.54 2.85 -1.26 -5.08 118.16 109.28 2af2 n LYS 75 Ca 0.03 -0.23 -0.24 0.00 -1.05 0.00 0.00 58.31 56.83 2af2 n LYS 75 Cb 0.21 -0.71 -0.17 0.00 -0.65 0.00 0.00 35.03 33.71 2af2 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2af2 s ASP 76 N -0.04 1.66 0.50 -5.58 1.11 -0.87 -5.00 116.67 108.45 2af2 s ASP 76 Ca 0.00 -0.18 0.21 0.00 0.18 0.00 0.00 52.55 52.75 2af2 s ASP 76 Cb 0.00 -0.61 1.28 0.00 1.07 0.00 0.00 42.92 44.67 2af2 s ASP 76 CO 0.00 -0.12 2.07 1.05 1.18 0.00 0.00 175.17 179.35 2af2 h GLU 77 N 7.91 0.00 -4.41 8.23 9.09 -1.95 -2.13 114.58 131.33 2af2 h GLU 77 Ca -0.28 0.00 -0.74 0.00 0.05 0.00 0.00 59.36 58.39 2af2 h GLU 77 Cb 1.14 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 28.08 2af2 h GLU 77 CO 0.37 0.12 1.73 0.39 0.05 0.00 0.00 179.01 181.67 2af2 n GLU 78 N -4.07 3.41 -3.82 1.06 -0.58 -1.26 -4.93 120.64 110.45 2af2 n GLU 78 Ca -0.02 -3.64 -0.37 0.00 -0.42 0.00 0.00 57.16 52.71 2af2 n GLU 78 Cb 0.20 -3.05 -0.13 0.00 -0.57 0.00 0.00 31.44 27.89 2af2 n GLU 78 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2af2 s ARG 79 N 1.48 2.60 0.92 3.49 3.52 -1.24 -0.67 118.95 129.05 2af2 s ARG 79 Ca 0.43 -1.17 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 2af2 s ARG 79 Cb 0.03 -3.33 0.15 0.00 -1.56 0.00 0.00 34.95 30.23 2af2 s ARG 79 CO 0.01 -0.62 1.15 0.72 -0.81 0.00 0.00 175.30 175.74 2af2 n HIS 80 N 4.74 0.85 -0.28 5.12 8.25 -1.23 -4.88 115.22 127.80 2af2 n HIS 80 Ca -0.13 0.40 -0.08 0.00 -0.26 0.00 0.00 57.72 57.64 2af2 n HIS 80 Cb 0.45 -2.00 -0.05 0.00 1.12 0.00 0.00 29.99 29.51 2af2 n HIS 80 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2af2 h VAL 81 N -1.88 0.04 -0.81 1.59 -1.51 -1.96 -0.30 116.25 111.42 2af2 h VAL 81 Ca -0.43 0.00 -0.45 0.00 -1.23 0.00 0.00 66.70 64.59 2af2 h VAL 81 Cb 1.27 0.04 -0.26 0.00 -2.13 0.00 0.00 31.29 30.22 2af2 h VAL 81 CO 0.41 0.00 0.43 0.61 -1.23 0.00 0.00 177.57 177.79 2af2 n GLY 82 N -1.38 4.84 3.67 5.19 0.00 -1.26 -4.81 105.19 111.45 2af2 n GLY 82 Ca 0.03 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.78 7.04 0.63 1.61 1.01 -0.13 -3.22 116.67 121.83 2af2 s ASP 83 Ca 0.54 1.63 0.04 0.00 0.71 0.00 0.00 52.55 55.48 2af2 s ASP 83 Cb 0.46 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.94 2af2 s ASP 83 CO 0.06 -0.66 0.87 -0.76 0.21 0.00 0.00 175.17 174.89 2af2 s LEU 84 N 2.93 3.10 0.00 1.23 2.01 -1.22 -4.80 118.68 121.93 2af2 s LEU 84 Ca 0.52 -0.53 0.00 0.00 0.01 0.00 0.00 54.13 54.13 2af2 s LEU 84 Cb -0.21 -1.97 0.00 0.00 0.01 0.00 0.00 46.19 44.02 2af2 s LEU 84 CO 0.15 -1.52 0.00 0.61 1.01 0.00 0.00 176.35 176.60 2af2 n GLY 85 N -2.49 1.47 3.69 -3.19 0.00 -1.26 -4.68 105.19 98.73 2af2 n GLY 85 Ca 0.14 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.00 7.05 0.82 1.61 0.01 -1.26 -2.70 114.94 119.47 2af2 s ASN 86 Ca 0.00 1.28 -0.12 0.00 -0.71 0.00 0.00 52.86 53.30 2af2 s ASN 86 Cb 0.00 -2.47 0.09 0.00 0.41 0.00 0.00 41.25 39.28 2af2 s ASN 86 CO 0.00 -0.32 1.19 0.54 -1.51 0.00 0.00 177.10 177.00 2af2 s VAL 87 N 1.66 2.00 -0.09 1.60 0.11 0.18 -4.84 120.40 121.02 2af2 s VAL 87 Ca 0.41 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.42 2af2 s VAL 87 Cb -0.18 -3.00 0.05 0.00 -1.53 0.00 0.00 36.38 31.72 2af2 s VAL 87 CO 0.16 0.00 0.20 0.28 -3.33 0.00 0.00 175.10 172.41 2af2 s THR 88 N -3.60 -0.11 0.20 5.04 -1.32 -1.26 -0.35 115.64 114.24 2af2 s THR 88 Ca 0.63 0.20 -0.18 0.00 -1.21 0.00 0.00 61.69 61.13 2af2 s THR 88 Cb -0.10 -0.32 -0.08 0.00 -1.51 0.00 0.00 72.50 70.48 2af2 s THR 88 CO 0.49 0.08 0.67 0.00 -2.21 0.00 0.00 174.62 173.65 2af2 s ALA 89 N 1.48 3.46 1.08 11.08 0.00 -0.52 -4.11 121.76 134.24 2af2 s ALA 89 Ca -0.07 0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 2af2 s ALA 89 Cb -0.11 -2.72 0.23 0.00 0.00 0.00 0.00 23.12 20.52 2af2 s ALA 89 CO -0.07 0.37 1.07 0.34 0.00 0.00 0.00 175.76 177.47 2af2 s ASP 90 N -1.69 1.83 0.49 0.00 2.15 -0.11 -2.55 116.67 116.78 2af2 s ASP 90 Ca 0.42 1.17 0.25 0.00 0.43 0.00 0.00 52.55 54.82 2af2 s ASP 90 Cb -0.16 -1.82 1.30 0.00 -0.30 0.00 0.00 42.92 41.94 2af2 s ASP 90 CO 0.20 -3.62 1.88 0.50 -0.17 0.00 0.00 175.17 173.96 2af2 h LYS 91 N -2.23 0.17 0.00 4.34 1.63 -1.96 -0.14 116.57 118.38 2af2 h LYS 91 Ca -0.56 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 2af2 h LYS 91 Cb 1.33 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2af2 h LYS 91 CO 0.53 0.11 0.00 0.22 -3.45 0.00 0.00 179.45 176.86 2af2 h ASP 92 N 0.17 0.00 0.00 4.20 3.58 -1.94 -3.45 116.42 118.98 2af2 h ASP 92 Ca 0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.88 2af2 h ASP 92 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2af2 h ASP 92 CO -0.08 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.89 2af2 n GLY 93 N 0.44 0.65 3.67 -0.78 0.00 -0.06 -4.81 105.19 104.29 2af2 n GLY 93 Ca 0.03 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.00 5.27 -0.26 1.61 0.11 -1.26 -1.28 120.40 122.60 2af2 s VAL 94 Ca 0.00 0.49 -0.10 0.00 -2.93 0.00 0.00 61.98 59.44 2af2 s VAL 94 Cb 0.00 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2af2 s VAL 94 CO 0.00 0.29 0.15 0.00 -3.33 0.00 0.00 175.10 172.21 2af2 s ALA 95 N 1.20 3.46 0.18 1.54 0.00 0.28 -0.94 121.76 127.47 2af2 s ALA 95 Ca 0.14 -1.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 2af2 s ALA 95 Cb -0.14 -2.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 2af2 s ALA 95 CO 0.06 -0.39 0.60 0.34 0.00 0.00 0.00 175.76 176.37 2af2 s ASP 96 N 1.45 6.87 -0.14 0.00 2.15 -1.26 -0.36 116.67 125.38 2af2 s ASP 96 Ca 0.07 1.16 0.03 0.00 0.43 0.00 0.00 52.55 54.23 2af2 s ASP 96 Cb -0.15 -2.32 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2af2 s ASP 96 CO 0.07 0.06 -0.22 -0.69 -0.17 0.00 0.00 175.17 174.23 2af2 s VAL 97 N -1.52 2.10 -0.44 1.11 1.01 0.99 -4.79 120.40 118.87 2af2 s VAL 97 Ca 0.40 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2af2 s VAL 97 Cb -0.15 -1.83 0.18 0.00 0.00 0.00 0.00 36.38 34.57 2af2 s VAL 97 CO 0.20 0.55 0.57 -0.44 0.00 0.00 0.00 175.10 175.98 2af2 s SER 98 N 0.75 -0.58 0.03 3.32 0.01 -1.25 -1.36 113.70 114.63 2af2 s SER 98 Ca -0.08 -1.52 -0.01 0.00 1.31 0.00 0.00 55.95 55.65 2af2 s SER 98 Cb -0.16 1.37 -0.03 0.00 0.21 0.00 0.00 66.02 67.41 2af2 s SER 98 CO -0.00 -0.15 -0.03 -0.63 0.41 0.00 0.00 173.24 172.84 2af2 s ILE 99 N 1.24 0.16 0.00 1.44 1.01 -0.15 -5.03 121.20 119.87 2af2 s ILE 99 Ca 0.23 -1.32 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 2af2 s ILE 99 Cb -0.05 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 2af2 s ILE 99 CO -0.07 -0.73 0.02 -0.70 0.00 0.00 0.00 174.94 173.47 2af2 s GLU 100 N -2.60 0.19 -0.12 2.79 2.12 -1.26 0.31 118.70 120.12 2af2 s GLU 100 Ca -0.05 -0.25 -0.21 0.00 0.36 0.00 0.00 54.97 54.81 2af2 s GLU 100 Cb -0.02 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.50 2af2 s GLU 100 CO -0.05 -0.03 0.52 0.34 -0.54 0.00 0.00 175.26 175.50 2af2 s ASP 101 N -0.69 -0.50 -0.50 -1.70 -1.08 -0.69 -5.00 116.67 106.51 2af2 s ASP 101 Ca -0.08 0.76 0.04 0.00 -0.52 0.00 0.00 52.55 52.75 2af2 s ASP 101 Cb -0.05 0.78 0.41 0.00 -1.46 0.00 0.00 42.92 42.60 2af2 s ASP 101 CO -0.00 -0.35 1.27 -1.54 0.52 0.00 0.00 175.17 175.06 2af2 n SER 102 N 1.96 5.19 -0.31 -0.34 3.41 -1.26 -0.79 113.62 121.48 2af2 n SER 102 Ca -0.17 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 2af2 n SER 102 Cb 0.56 -0.55 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 1.33 -0.16 0.00 0.00 175.04 176.21 2af2 n VAL 103 N -0.51 0.00 -4.14 -3.33 0.24 -1.26 -4.93 118.33 104.40 2af2 n VAL 103 Ca 0.42 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.61 2af2 n VAL 103 Cb 0.61 0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 33.27 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2af2 s ILE 104 N 0.00 0.03 0.15 1.34 -0.00 -1.26 -4.95 121.20 116.50 2af2 s ILE 104 Ca 0.00 -1.85 -0.17 0.00 -0.00 0.00 0.00 60.65 58.63 2af2 s ILE 104 Cb 0.00 -2.31 0.04 0.00 -0.00 0.00 0.00 42.46 40.18 2af2 s ILE 104 CO 0.00 -0.12 0.46 -0.94 -0.00 0.00 0.00 174.94 174.34 2af2 s SER 105 N -3.10 -0.28 -0.60 4.36 1.04 -1.26 -4.51 113.70 109.35 2af2 s SER 105 Ca 0.32 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 56.39 2af2 s SER 105 Cb 0.06 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.82 2af2 s SER 105 CO 0.09 -0.92 2.59 0.00 0.98 0.00 0.00 173.24 175.98 2af2 n LEU 106 N -0.27 6.79 0.03 2.42 -0.00 -1.26 -1.45 117.00 123.25 2af2 n LEU 106 Ca -0.15 -4.29 -0.22 0.00 -0.00 0.00 0.00 56.01 51.35 2af2 n LEU 106 Cb 0.64 -1.21 -0.14 0.00 -0.00 0.00 0.00 43.42 42.70 2af2 n LEU 106 CO 0.17 1.77 -0.64 -1.28 -0.00 0.00 0.00 177.39 177.40 2af2 h SER 107 N 3.13 0.48 0.00 1.45 0.87 -1.90 -3.44 113.55 114.14 2af2 h SER 107 Ca 0.45 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2af2 h SER 107 Cb 0.56 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2af2 h SER 107 CO 1.03 1.79 0.00 0.61 -0.53 0.00 0.00 176.83 179.73 2af2 n GLY 108 N 1.89 1.01 0.00 5.77 0.00 -1.26 -4.94 105.19 107.66 2af2 n GLY 108 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2af2 n GLY 108 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 109 N 0.00 0.00 -0.02 1.61 5.68 -1.26 -4.86 116.55 117.70 2af2 n ASP 109 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.30 2af2 n ASP 109 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2af2 n HIS 110 N 0.00 0.33 0.00 2.11 8.25 -1.26 -5.02 115.22 119.64 2af2 n HIS 110 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2af2 n HIS 110 Cb 0.00 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.25 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 -2.62 0.00 0.03 0.41 7.64 -1.26 -5.00 113.62 112.81 2af2 n SER 111 Ca -0.15 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.81 2af2 n SER 111 Cb 0.84 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.95 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2af2 n ILE 112 N 0.00 0.49 -1.96 0.44 -5.35 -0.53 -4.85 119.36 107.61 2af2 n ILE 112 Ca 0.00 -0.57 -0.40 0.00 -0.27 0.00 0.00 62.75 61.51 2af2 n ILE 112 Cb 0.00 -0.26 -0.00 0.00 -1.74 0.00 0.00 39.64 37.64 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2af2 s ILE 113 N -3.31 2.40 -0.46 7.28 -1.09 -1.25 -3.24 121.20 121.52 2af2 s ILE 113 Ca -0.05 0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2af2 s ILE 113 Cb 0.11 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2af2 s ILE 113 CO 0.85 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 175.23 2af2 n GLY 114 N 0.63 0.28 3.52 6.18 0.00 -0.35 -4.37 105.19 111.08 2af2 n GLY 114 Ca 0.03 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 2af2 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2af2 s ARG 115 N -3.91 1.95 0.05 1.61 0.52 -1.20 -0.67 118.95 117.31 2af2 s ARG 115 Ca 0.00 -2.19 0.08 0.00 -0.52 0.00 0.00 55.73 53.09 2af2 s ARG 115 Cb 0.00 -0.63 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 2af2 s ARG 115 CO 0.00 -0.49 -0.20 0.99 0.02 0.00 0.00 175.30 175.62 2af2 s THR 116 N -3.19 2.62 -0.13 0.02 2.01 -1.24 -0.52 115.64 115.22 2af2 s THR 116 Ca 0.23 -1.27 -0.03 0.00 0.31 0.00 0.00 61.69 60.93 2af2 s THR 116 Cb 0.02 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2af2 s THR 116 CO 0.14 0.32 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.15 2af2 s LEU 117 N -1.45 3.37 0.01 4.42 2.96 -0.52 0.17 118.68 127.64 2af2 s LEU 117 Ca 0.14 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 2af2 s LEU 117 Cb -0.10 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2af2 s LEU 117 CO 0.05 0.25 -0.05 0.54 -1.32 0.00 0.00 176.35 175.82 2af2 s VAL 118 N -0.15 3.75 0.00 1.68 0.11 0.36 -1.31 120.40 124.85 2af2 s VAL 118 Ca 0.03 -0.76 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 2af2 s VAL 118 Cb -0.13 -2.64 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 2af2 s VAL 118 CO 0.02 0.38 -0.22 0.54 -3.33 0.00 0.00 175.10 172.49 2af2 s VAL 119 N -1.03 2.44 0.08 2.04 0.11 -0.14 -1.29 120.40 122.61 2af2 s VAL 119 Ca 0.18 -1.12 0.10 0.00 -2.93 0.00 0.00 61.98 58.20 2af2 s VAL 119 Cb -0.11 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.77 2af2 s VAL 119 CO 0.08 0.47 -0.25 -1.00 -3.33 0.00 0.00 175.10 171.08 2af2 s HIS 120 N -0.75 2.36 -0.51 1.54 3.76 0.29 -2.14 115.29 119.84 2af2 s HIS 120 Ca 0.12 -0.37 0.24 0.00 -0.15 0.00 0.00 55.06 54.90 2af2 s HIS 120 Cb -0.10 -1.34 0.35 0.00 1.11 0.00 0.00 32.58 32.59 2af2 s HIS 120 CO 0.01 0.25 1.40 1.49 -0.85 0.00 0.00 174.74 177.04 2af2 h GLU 121 N 4.31 0.00 -5.95 1.40 4.22 -0.81 -3.30 114.58 114.46 2af2 h GLU 121 Ca -0.49 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.40 2af2 h GLU 121 Cb 1.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 2af2 h GLU 121 CO 0.42 0.00 -0.49 0.15 -2.18 0.00 0.00 179.01 176.92 2af2 s LYS 122 N -3.21 2.27 0.26 1.92 3.01 -1.25 -4.88 119.74 117.85 2af2 s LYS 122 Ca 0.06 -1.78 -0.31 0.00 -1.01 0.00 0.00 55.97 52.93 2af2 s LYS 122 Cb 0.10 -2.04 -0.11 0.00 -1.01 0.00 0.00 37.83 34.77 2af2 s LYS 122 CO 0.70 -0.10 1.59 0.00 0.51 0.00 0.00 175.35 178.05 2af2 s ALA 123 N -2.57 3.77 0.44 5.17 0.00 -1.08 -2.40 121.76 125.10 2af2 s ALA 123 Ca 0.42 1.52 -0.14 0.00 0.00 0.00 0.00 51.96 53.75 2af2 s ALA 123 Cb 0.02 -3.64 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 2af2 s ALA 123 CO 0.23 -0.91 0.86 0.34 0.00 0.00 0.00 175.76 176.28 2af2 s ASP 124 N 0.67 6.60 -0.09 0.00 2.15 -1.26 -4.64 116.67 120.10 2af2 s ASP 124 Ca 0.66 1.35 -0.26 0.00 0.43 0.00 0.00 52.55 54.72 2af2 s ASP 124 Cb -0.47 -2.41 -0.22 0.00 -0.30 0.00 0.00 42.92 39.52 2af2 s ASP 124 CO 0.42 -0.46 0.93 -0.78 -0.17 0.00 0.00 175.17 175.11 2af2 h ASP 125 N 1.23 -0.02 -0.78 -0.34 1.82 -1.83 -3.48 116.42 113.01 2af2 h ASP 125 Ca -0.47 -0.71 0.00 0.00 -0.39 0.00 0.00 57.03 55.46 2af2 h ASP 125 Cb 1.18 0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.20 2af2 h ASP 125 CO 0.63 0.73 0.00 0.18 -1.61 0.00 0.00 179.24 179.17 2af2 n LEU 126 N -4.74 -0.52 0.00 2.28 4.77 -1.06 -4.81 117.00 112.92 2af2 n LEU 126 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2af2 n LEU 126 Cb 0.36 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2af2 n LEU 126 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2af2 n GLY 127 N -0.35 2.24 0.00 -0.72 0.00 -0.57 -4.41 105.19 101.38 2af2 n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2af2 n LYS 128 N -0.45 3.50 -0.30 1.61 4.01 -1.26 -4.10 118.16 121.17 2af2 n LYS 128 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2af2 n LYS 128 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2af2 n GLY 129 N 5.00 0.81 2.23 0.72 0.00 -1.26 -4.40 105.19 108.29 2af2 n GLY 129 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2af2 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 130 N -2.24 -0.00 3.54 -0.02 0.00 -1.26 -5.00 105.19 100.20 2af2 n GLY 130 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 2af2 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 131 N -2.63 0.19 0.13 1.61 2.20 -1.26 -5.07 114.94 110.11 2af2 s ASN 131 Ca 0.04 -1.13 -0.31 0.00 -0.94 0.00 0.00 52.86 50.52 2af2 s ASN 131 Cb -0.02 0.60 -0.08 0.00 -2.00 0.00 0.00 41.25 39.75 2af2 s ASN 131 CO 0.05 -1.18 1.56 -0.08 -2.94 0.00 0.00 177.10 174.51 2af2 h GLU 132 N 2.24 -0.45 0.00 3.55 4.57 -1.97 -2.71 114.58 119.80 2af2 h GLU 132 Ca -0.28 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2af2 h GLU 132 Cb 1.25 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2af2 h GLU 132 CO 0.38 -0.30 0.00 0.93 -1.18 0.00 0.00 179.01 178.84 2af2 h GLU 133 N -0.47 0.00 -0.61 1.92 4.39 -1.96 -2.81 114.58 115.03 2af2 h GLU 133 Ca 0.07 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.87 2af2 h GLU 133 Cb 0.63 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2af2 h GLU 133 CO -0.50 0.00 0.22 0.66 -1.16 0.00 0.00 179.01 178.23 2af2 h SER 134 N 0.00 0.20 0.12 1.42 4.64 -1.69 0.11 113.55 118.36 2af2 h SER 134 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2af2 h SER 134 Cb 0.22 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2af2 h SER 134 CO 0.00 0.12 -0.56 1.07 -0.87 0.00 0.00 176.83 176.59 2af2 n THR 135 N -5.01 0.00 -0.12 2.95 5.66 -1.07 -2.48 114.28 114.21 2af2 n THR 135 Ca 0.09 -0.13 -0.26 0.00 -3.05 0.00 0.00 64.05 60.70 2af2 n THR 135 Cb 0.29 0.85 -0.11 0.00 -1.55 0.00 0.00 70.33 69.81 2af2 n THR 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2af2 n LYS 136 N -0.74 0.60 -0.02 1.09 4.01 -0.99 -4.72 118.16 117.40 2af2 n LYS 136 Ca 0.08 0.33 0.00 0.00 -0.51 0.00 0.00 58.31 58.21 2af2 n LYS 136 Cb 0.39 -1.57 -0.04 0.00 -0.51 0.00 0.00 35.03 33.29 2af2 n LYS 136 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2af2 n THR 137 N -4.13 0.19 0.00 -0.18 -2.24 0.21 -4.59 114.28 103.55 2af2 n THR 137 Ca -0.47 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2af2 n THR 137 Cb 0.86 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.42 0.72 0.00 3.38 0.00 -0.23 -4.60 105.19 106.87 2af2 n GLY 138 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.61 4.05 -0.99 -1.51 115.26 118.42 2af2 n ASN 139 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2af2 n ASN 139 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 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 -0.59 1.09 0.00 5.20 0.00 -1.26 -4.67 120.51 120.27 2af2 n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 140 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.80 0.69 3.63 0.00 0.00 -1.26 -3.87 105.19 103.58 2af2 n GLY 141 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2af2 n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2af2 s SER 142 N 0.00 -0.46 -0.08 1.61 0.01 -1.26 -4.97 113.70 108.53 2af2 s SER 142 Ca 0.00 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.14 2af2 s SER 142 Cb 0.00 0.85 -0.02 0.00 0.21 0.00 0.00 66.02 67.06 2af2 s SER 142 CO 0.00 -0.19 -0.16 0.00 0.41 0.00 0.00 173.24 173.30 2af2 s ARG 143 N 0.05 2.88 -0.03 12.44 3.03 -1.26 -0.22 118.95 135.84 2af2 s ARG 143 Ca 0.02 -0.74 0.10 0.00 2.03 0.00 0.00 55.73 57.14 2af2 s ARG 143 Cb -0.04 -2.43 -0.15 0.00 -1.03 0.00 0.00 34.95 31.29 2af2 s ARG 143 CO -0.04 0.40 0.19 1.47 -1.13 0.00 0.00 175.30 176.18 2af2 n LEU 144 N 2.97 0.00 -3.54 -1.89 -0.00 -0.91 -4.87 117.00 108.76 2af2 n LEU 144 Ca -0.18 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.76 2af2 n LEU 144 Cb 0.52 0.05 -0.02 0.00 -0.00 0.00 0.00 43.42 43.98 2af2 n LEU 144 CO 0.28 0.05 0.71 0.00 -0.00 0.00 0.00 177.39 178.43 2af2 s ALA 145 N -2.62 -1.83 0.22 1.47 0.00 -1.21 -3.62 121.76 114.17 2af2 s ALA 145 Ca -0.04 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 2af2 s ALA 145 Cb 0.06 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.61 2af2 s ALA 145 CO 0.43 -0.72 0.54 0.00 0.00 0.00 0.00 175.76 176.01 2af2 s GLY 147 N -2.91 -0.55 0.04 0.00 0.00 -0.42 -1.74 107.32 101.72 2af2 s GLY 147 Ca 0.12 2.10 -0.26 0.00 0.00 0.00 0.00 44.72 46.68 2af2 s GLY 147 CO 0.02 1.91 0.82 0.54 0.00 0.00 0.00 173.10 176.38 2af2 s VAL 148 N 0.77 4.75 -0.45 1.40 0.11 -1.26 -1.43 120.40 124.28 2af2 s VAL 148 Ca -0.03 1.73 -0.24 0.00 -2.93 0.00 0.00 61.98 60.51 2af2 s VAL 148 Cb -0.05 -4.17 0.03 0.00 -1.53 0.00 0.00 36.38 30.66 2af2 s VAL 148 CO -0.05 0.32 0.82 -0.63 -3.33 0.00 0.00 175.10 172.23 2af2 s ILE 149 N 0.18 4.60 0.42 7.04 1.01 0.32 -4.71 121.20 130.06 2af2 s ILE 149 Ca 0.41 0.53 0.07 0.00 0.00 0.00 0.00 60.65 61.66 2af2 s ILE 149 Cb -0.21 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 2af2 s ILE 149 CO 0.24 -0.74 0.21 -0.83 0.00 0.00 0.00 174.94 173.82 2af2 s GLY 150 N 2.16 2.31 0.48 6.18 0.00 -1.08 -1.21 107.32 116.17 2af2 s GLY 150 Ca 0.32 -2.06 -0.01 0.00 0.00 0.00 0.00 44.72 42.96 2af2 s GLY 150 CO 0.24 -1.88 0.73 -0.26 0.00 0.00 0.00 173.10 171.92 2af2 s ILE 151 N -2.58 4.03 0.00 0.90 -5.25 -1.26 -1.51 121.20 115.53 2af2 s ILE 151 Ca 0.42 -0.33 0.00 0.00 -0.99 0.00 0.00 60.65 59.75 2af2 s ILE 151 Cb 0.03 -3.52 0.00 0.00 2.95 0.00 0.00 42.46 41.92 2af2 s ILE 151 CO 0.23 -0.41 0.00 0.00 -1.79 0.00 0.00 174.94 172.97 2af2 n ALA 152 N -2.20 0.01 -0.47 2.27 0.00 -1.16 -4.85 120.51 114.11 2af2 n ALA 152 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2af2 n ALA 152 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2af2 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54