#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 4.16 0.20 0.00 2.01 -0.58 -4.82 115.64 116.61 2af2 s THR 2 Ca 0.00 1.26 0.09 0.00 0.31 0.00 0.00 61.69 63.35 2af2 s THR 2 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 2af2 s THR 2 CO 0.00 -0.66 -0.17 -1.59 -0.69 0.00 0.00 174.62 171.51 2af2 s LYS 3 N 4.33 1.37 0.08 4.92 -2.85 -0.34 -0.57 119.74 126.68 2af2 s LYS 3 Ca 0.54 -1.56 -0.08 0.00 -1.00 0.00 0.00 55.97 53.87 2af2 s LYS 3 Cb -0.13 -1.31 -0.01 0.00 -2.06 0.00 0.00 37.83 34.33 2af2 s LYS 3 CO 0.26 0.24 0.16 0.00 0.10 0.00 0.00 175.35 176.11 2af2 s ALA 4 N -2.58 -0.14 0.02 0.59 0.00 -0.26 -1.51 121.76 117.88 2af2 s ALA 4 Ca 0.22 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2af2 s ALA 4 Cb -0.03 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 2af2 s ALA 4 CO 0.08 -0.49 -0.02 0.54 0.00 0.00 0.00 175.76 175.87 2af2 s VAL 5 N -3.86 3.95 -0.43 0.00 0.11 0.45 -1.30 120.40 119.32 2af2 s VAL 5 Ca 0.05 -0.75 -0.13 0.00 -2.93 0.00 0.00 61.98 58.22 2af2 s VAL 5 Cb 0.05 -2.78 0.06 0.00 -1.53 0.00 0.00 36.38 32.18 2af2 s VAL 5 CO -0.11 0.32 0.31 0.00 -3.33 0.00 0.00 175.10 172.29 2af2 s ALA 6 N -1.11 3.42 -0.79 1.54 0.00 0.39 -1.29 121.76 123.91 2af2 s ALA 6 Ca 0.20 -1.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 2af2 s ALA 6 Cb -0.11 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 2af2 s ALA 6 CO 0.11 -1.60 2.87 0.28 0.00 0.00 0.00 175.76 177.42 2af2 n VAL 7 N 5.07 3.97 -2.70 0.00 0.31 0.13 -3.72 118.33 121.40 2af2 n VAL 7 Ca -0.11 -3.01 -0.42 0.00 -0.01 0.00 0.00 64.34 60.78 2af2 n VAL 7 Cb 0.44 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.37 2af2 n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2af2 s LEU 8 N -1.36 4.22 -0.16 7.52 1.02 -1.10 -3.54 118.68 125.28 2af2 s LEU 8 Ca 0.61 1.49 -0.22 0.00 0.02 0.00 0.00 54.13 56.03 2af2 s LEU 8 Cb 0.28 -3.53 0.06 0.00 0.02 0.00 0.00 46.19 43.02 2af2 s LEU 8 CO -0.12 -0.47 0.57 -0.75 0.02 0.00 0.00 176.35 175.60 2af2 s LYS 9 N 2.17 0.75 0.23 1.70 2.20 -0.19 -0.89 119.74 125.71 2af2 s LYS 9 Ca 0.47 0.59 0.07 0.00 -0.36 0.00 0.00 55.97 56.75 2af2 s LYS 9 Cb -0.18 0.36 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 2af2 s LYS 9 CO 0.16 -0.14 0.13 0.20 -0.36 0.00 0.00 175.35 175.33 2af2 s GLY 10 N -0.16 1.55 -1.01 5.54 0.00 -0.18 -3.47 107.32 109.58 2af2 s GLY 10 Ca -0.04 -1.42 -0.20 0.00 0.00 0.00 0.00 44.72 43.06 2af2 s GLY 10 CO 0.03 -1.46 2.00 1.22 0.00 0.00 0.00 173.10 174.89 2af2 n ASP 11 N -0.86 3.03 0.00 1.64 9.92 -1.26 -4.44 116.55 124.58 2af2 n ASP 11 Ca -0.08 -2.73 0.00 0.00 -0.53 0.00 0.00 54.79 51.45 2af2 n ASP 11 Cb 0.57 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 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 4.53 -0.92 1.65 0.44 0.00 -1.26 -5.01 105.19 104.63 2af2 n GLY 12 Ca 0.50 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.13 1.31 -3.96 1.61 -0.04 -1.26 -4.73 135.00 127.79 2af2 n PRO 13 Ca 0.00 -0.33 -0.27 0.00 -0.04 0.00 0.00 63.50 62.86 2af2 n PRO 13 Cb 0.00 -1.30 -0.17 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.22 1.11 0.20 0.52 1.01 -1.26 -4.26 120.40 117.93 2af2 s VAL 14 Ca 0.20 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 2af2 s VAL 14 Cb 0.10 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.43 2af2 s VAL 14 CO -0.00 0.38 0.64 0.00 0.00 0.00 0.00 175.10 176.12 2af2 s GLN 15 N 1.62 1.45 -0.30 2.72 0.00 -0.92 -1.01 119.66 123.23 2af2 s GLN 15 Ca 0.04 -0.65 -0.01 0.00 -0.00 0.00 0.00 55.36 54.74 2af2 s GLN 15 Cb -0.13 0.60 0.13 0.00 0.00 0.00 0.00 33.01 33.61 2af2 s GLN 15 CO -0.08 -0.65 0.24 0.20 0.00 0.00 0.00 175.29 175.01 2af2 s GLY 16 N -2.81 0.16 -0.43 2.60 0.00 -0.07 -0.80 107.32 105.97 2af2 s GLY 16 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 44.72 43.87 2af2 s GLY 16 CO -0.06 2.43 0.31 -1.50 0.00 0.00 0.00 173.10 174.28 2af2 s ILE 17 N 2.07 4.81 -0.01 0.90 2.07 -0.38 -2.71 121.20 127.95 2af2 s ILE 17 Ca 0.11 -1.10 0.05 0.00 -1.41 0.00 0.00 60.65 58.30 2af2 s ILE 17 Cb -0.15 -3.85 -0.01 0.00 0.13 0.00 0.00 42.46 38.58 2af2 s ILE 17 CO -0.28 -0.47 -0.16 -0.63 -1.91 0.00 0.00 174.94 171.48 2af2 s ILE 18 N 1.56 1.28 0.08 2.00 -1.09 -1.24 -1.31 121.20 122.48 2af2 s ILE 18 Ca 0.03 -0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 2af2 s ILE 18 Cb -0.23 -1.07 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 2af2 s ILE 18 CO 0.06 0.36 0.24 0.20 -1.23 0.00 0.00 174.94 174.57 2af2 s ASN 19 N -0.35 6.38 -0.07 3.58 0.02 0.44 -0.47 114.94 124.47 2af2 s ASN 19 Ca 0.06 0.32 0.05 0.00 -1.02 0.00 0.00 52.86 52.27 2af2 s ASN 19 Cb -0.07 -1.98 -0.01 0.00 0.02 0.00 0.00 41.25 39.21 2af2 s ASN 19 CO -0.00 0.15 -0.23 -0.36 0.02 0.00 0.00 177.10 176.67 2af2 s PHE 20 N -1.54 2.51 -0.08 2.20 0.40 -0.42 -2.01 117.98 119.04 2af2 s PHE 20 Ca 0.36 -0.76 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 2af2 s PHE 20 Cb -0.13 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.80 2af2 s PHE 20 CO 0.27 -0.24 0.16 -2.00 0.70 0.00 0.00 175.22 174.11 2af2 s GLU 21 N -0.05 0.05 0.20 0.44 2.12 0.01 -1.10 118.70 120.37 2af2 s GLU 21 Ca -0.07 0.50 0.06 0.00 0.36 0.00 0.00 54.97 55.83 2af2 s GLU 21 Cb -0.15 -0.24 -0.04 0.00 0.26 0.00 0.00 34.13 33.96 2af2 s GLU 21 CO 0.05 -0.26 0.16 -1.14 -0.54 0.00 0.00 175.26 173.52 2af2 s GLN 22 N 1.94 2.90 0.10 4.30 0.74 0.26 -1.02 119.66 128.88 2af2 s GLN 22 Ca -0.01 -0.95 0.25 0.00 0.05 0.00 0.00 55.36 54.70 2af2 s GLN 22 Cb -0.12 -2.61 0.50 0.00 1.10 0.00 0.00 33.01 31.88 2af2 s GLN 22 CO -0.06 0.45 1.44 0.36 -0.55 0.00 0.00 175.29 176.93 2af2 n LYS 23 N -0.67 0.21 0.00 1.67 0.00 -1.26 -0.10 118.16 118.02 2af2 n LYS 23 Ca -0.08 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2af2 n LYS 23 Cb 0.56 -1.65 0.00 0.00 -0.00 0.00 0.00 35.03 33.94 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 -1.96 0.00 -0.00 -1.58 -0.00 -1.26 -4.63 120.64 111.21 2af2 n GLU 24 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.23 2af2 n GLU 24 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.82 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 0.80 -0.14 -1.84 3.41 -1.26 -4.56 113.62 110.03 2af2 n SER 25 Ca 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2af2 n SER 25 Cb 0.00 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 2af2 n SER 25 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2af2 n ASN 26 N -1.20 0.00 -0.29 4.04 6.94 -1.26 -4.63 115.26 118.85 2af2 n ASN 26 Ca 0.01 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.37 2af2 n ASN 26 Cb 0.08 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2af2 n GLY 27 N 0.00 5.85 3.84 4.83 0.00 -1.26 -5.07 105.19 113.37 2af2 n GLY 27 Ca 0.00 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 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 1.03 4.09 -0.13 1.61 0.04 -1.26 -4.77 135.00 135.62 2af2 s PRO 28 Ca 0.00 0.73 -0.03 0.00 0.04 0.00 0.00 61.00 61.74 2af2 s PRO 28 Cb 0.00 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 2af2 s PRO 28 CO 0.00 0.26 -0.03 0.08 0.04 0.00 0.00 177.00 177.36 2af2 s VAL 29 N -1.78 4.02 -0.16 -0.36 1.01 0.04 -4.16 120.40 119.00 2af2 s VAL 29 Ca 0.49 -0.33 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 2af2 s VAL 29 Cb -0.13 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2af2 s VAL 29 CO 0.19 0.53 0.42 -0.75 0.00 0.00 0.00 175.10 175.49 2af2 s LYS 30 N -0.08 4.25 -0.13 2.72 2.20 -0.19 -1.52 119.74 126.99 2af2 s LYS 30 Ca 0.03 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2af2 s LYS 30 Cb -0.13 -3.48 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 2af2 s LYS 30 CO 0.02 0.07 -0.13 0.08 -0.36 0.00 0.00 175.35 175.03 2af2 s VAL 31 N 0.95 3.05 0.08 4.02 1.01 0.12 -0.81 120.40 128.82 2af2 s VAL 31 Ca 0.22 -0.67 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 2af2 s VAL 31 Cb -0.15 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 34.00 2af2 s VAL 31 CO 0.08 0.53 0.42 -1.66 0.00 0.00 0.00 175.10 174.47 2af2 s TRP 32 N 0.29 -0.26 -3.93 5.22 -2.14 -0.85 -0.75 118.94 116.52 2af2 s TRP 32 Ca -0.10 0.11 0.00 0.00 2.66 0.00 0.00 56.10 58.77 2af2 s TRP 32 Cb -0.16 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 2af2 s TRP 32 CO 0.05 -0.64 0.00 0.41 -2.66 0.00 0.00 176.95 174.12 2af2 n GLY 33 N 0.17 0.79 3.29 3.67 0.00 -0.95 -0.42 105.19 111.74 2af2 n GLY 33 Ca -0.17 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.32 -0.28 1.61 1.04 -0.43 -0.58 113.70 110.74 2af2 s SER 34 Ca 0.00 0.39 -0.08 0.00 0.48 0.00 0.00 55.95 56.73 2af2 s SER 34 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2af2 s SER 34 CO 0.00 -0.37 0.11 -0.63 0.98 0.00 0.00 173.24 173.33 2af2 s ILE 35 N -0.82 4.43 0.02 -1.02 1.09 -0.35 -1.25 121.20 123.29 2af2 s ILE 35 Ca -0.09 -0.34 0.07 0.00 -1.10 0.00 0.00 60.65 59.19 2af2 s ILE 35 Cb -0.04 -3.19 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 2af2 s ILE 35 CO 0.04 0.18 -0.22 -0.75 -0.10 0.00 0.00 174.94 174.08 2af2 s LYS 36 N 1.60 1.63 0.00 2.79 2.47 0.02 -0.67 119.74 127.59 2af2 s LYS 36 Ca 0.05 -0.91 0.00 0.00 -1.56 0.00 0.00 55.97 53.55 2af2 s LYS 36 Cb -0.16 -1.69 0.00 0.00 -1.46 0.00 0.00 37.83 34.52 2af2 s LYS 36 CO 0.05 0.45 0.00 0.41 0.16 0.00 0.00 175.35 176.41 2af2 n GLY 37 N 2.12 0.36 3.90 5.54 0.00 -0.43 -2.15 105.19 114.52 2af2 n GLY 37 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2af2 n GLY 37 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2af2 s LEU 38 N 0.00 4.02 0.79 0.99 2.34 -1.25 -4.78 118.68 120.79 2af2 s LEU 38 Ca 0.00 0.75 -0.13 0.00 0.06 0.00 0.00 54.13 54.81 2af2 s LEU 38 Cb 0.00 -3.58 0.07 0.00 -0.56 0.00 0.00 46.19 42.12 2af2 s LEU 38 CO 0.00 -0.24 1.18 0.28 -1.06 0.00 0.00 176.35 176.51 2af2 s THR 39 N -2.15 2.31 0.18 5.48 -1.32 -1.26 -4.33 115.64 114.55 2af2 s THR 39 Ca 0.45 0.13 -0.17 0.00 -1.21 0.00 0.00 61.69 60.89 2af2 s THR 39 Cb -0.11 -2.52 0.14 0.00 -1.51 0.00 0.00 72.50 68.50 2af2 s THR 39 CO 0.31 -0.10 1.64 1.05 -2.21 0.00 0.00 174.62 175.31 2af2 h GLU 40 N -0.87 -0.04 -6.46 7.08 9.09 -1.78 -3.41 114.58 118.18 2af2 h GLU 40 Ca -0.46 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.35 2af2 h GLU 40 Cb 1.28 0.01 0.06 0.00 -1.65 0.00 0.00 28.75 28.45 2af2 h GLU 40 CO 0.47 -0.03 0.69 0.41 0.05 0.00 0.00 179.01 180.61 2af2 n GLY 41 N -1.37 0.92 3.52 1.06 0.00 -1.26 -1.18 105.19 106.88 2af2 n GLY 41 Ca 0.04 0.64 -0.46 0.00 0.00 0.00 0.00 46.02 46.25 2af2 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2af2 n LEU 42 N 3.05 0.68 -4.25 0.99 -0.00 -1.26 -4.75 117.00 111.46 2af2 n LEU 42 Ca 0.17 1.15 -0.28 0.00 -0.00 0.00 0.00 56.01 57.04 2af2 n LEU 42 Cb 0.27 -1.17 -0.16 0.00 -0.00 0.00 0.00 43.42 42.37 2af2 n LEU 42 CO 0.63 -2.01 -0.54 -1.00 -0.00 0.00 0.00 177.39 174.46 2af2 s HIS 43 N -1.06 2.02 0.78 1.47 3.76 0.83 -0.40 115.29 122.70 2af2 s HIS 43 Ca 0.61 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 2af2 s HIS 43 Cb -0.77 -1.30 0.06 0.00 1.11 0.00 0.00 32.58 31.68 2af2 s HIS 43 CO 0.59 -0.04 1.09 0.20 -0.85 0.00 0.00 174.74 175.73 2af2 s GLY 44 N -0.52 1.67 -0.45 -2.22 0.00 0.70 -0.06 107.32 106.44 2af2 s GLY 44 Ca 0.08 0.25 0.06 0.00 0.00 0.00 0.00 44.72 45.12 2af2 s GLY 44 CO -0.01 0.61 0.60 -0.12 0.00 0.00 0.00 173.10 174.18 2af2 s PHE 45 N -2.90 -1.09 0.01 1.90 5.36 -1.12 -0.98 117.98 119.16 2af2 s PHE 45 Ca 0.61 -0.63 0.06 0.00 -0.96 0.00 0.00 56.93 56.02 2af2 s PHE 45 Cb -0.17 0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 42.53 2af2 s PHE 45 CO 0.56 -1.15 -0.19 -3.38 -1.46 0.00 0.00 175.22 169.60 2af2 s HIS 46 N 1.10 1.69 -0.15 10.12 -3.43 -1.02 -1.70 115.29 121.89 2af2 s HIS 46 Ca 0.25 -0.34 -0.06 0.00 -0.80 0.00 0.00 55.06 54.11 2af2 s HIS 46 Cb -0.03 -1.05 -0.04 0.00 -1.43 0.00 0.00 32.58 30.04 2af2 s HIS 46 CO -0.07 0.02 0.06 0.08 -2.00 0.00 0.00 174.74 172.83 2af2 s VAL 47 N -0.61 4.79 1.03 -5.38 1.01 0.42 -0.86 120.40 120.79 2af2 s VAL 47 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2af2 s VAL 47 Cb -0.08 -3.12 0.21 0.00 0.00 0.00 0.00 36.38 33.39 2af2 s VAL 47 CO 0.00 0.52 1.19 -1.00 0.00 0.00 0.00 175.10 175.81 2af2 s HIS 48 N -0.13 1.52 -0.57 5.22 3.76 0.62 -3.70 115.29 122.01 2af2 s HIS 48 Ca 0.07 0.55 -0.04 0.00 -0.15 0.00 0.00 55.06 55.49 2af2 s HIS 48 Cb -0.12 -3.66 -0.05 0.00 1.11 0.00 0.00 32.58 29.86 2af2 s HIS 48 CO 0.01 -2.97 1.80 -0.85 -0.85 0.00 0.00 174.74 171.88 2af2 n GLU 49 N -4.10 1.41 0.00 1.40 0.28 -0.34 -4.54 120.64 114.74 2af2 n GLU 49 Ca 0.12 -1.08 0.00 0.00 -0.16 0.00 0.00 57.16 56.04 2af2 n GLU 49 Cb 0.59 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 31.23 2af2 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2af2 n PHE 50 N 4.18 0.00 0.00 -1.84 1.16 -1.26 -4.72 117.46 114.97 2af2 n PHE 50 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.88 2af2 n PHE 50 Cb 0.14 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2af2 n GLY 51 N 0.00 2.04 3.74 4.97 0.00 -1.26 -4.68 105.19 110.00 2af2 n GLY 51 Ca 0.00 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2af2 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2af2 s ASP 52 N -4.00 4.69 -0.02 1.61 2.15 -1.26 -4.94 116.67 114.90 2af2 s ASP 52 Ca 0.00 2.39 0.03 0.00 0.43 0.00 0.00 52.55 55.40 2af2 s ASP 52 Cb 0.00 -2.59 0.04 0.00 -0.30 0.00 0.00 42.92 40.07 2af2 s ASP 52 CO 0.00 -1.93 0.90 -3.20 -0.17 0.00 0.00 175.17 170.77 2af2 n ASN 53 N -2.15 0.50 0.00 -0.34 4.05 -1.26 -4.64 115.26 111.43 2af2 n ASN 53 Ca 0.14 -1.92 0.00 0.00 0.45 0.00 0.00 54.58 53.24 2af2 n ASN 53 Cb 0.50 -0.17 0.00 0.00 1.23 0.00 0.00 39.78 41.34 2af2 n ASN 53 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 177.26 175.28 2af2 n THR 54 N -0.26 0.00 0.37 -0.44 5.66 -1.26 -4.78 114.28 113.57 2af2 n THR 54 Ca 0.02 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.07 2af2 n THR 54 Cb 0.61 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.42 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 2.53 -0.99 1.79 0.00 -1.26 -5.10 120.51 117.47 2af2 n ALA 55 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2af2 n ALA 55 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 0.56 3.38 0.00 0.00 0.00 -1.26 -3.03 105.19 104.84 2af2 n GLY 56 Ca 0.05 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.89 2af2 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2af2 h THR 58 N 0.00 0.00 0.00 0.00 2.02 -1.99 -3.41 112.91 109.53 2af2 h THR 58 Ca 0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2af2 h THR 58 Cb 0.05 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2af2 h THR 58 CO 0.00 0.00 -0.76 -0.24 0.37 0.00 0.00 175.52 174.89 2af2 n SER 59 N -2.49 3.80 -3.49 4.18 2.88 0.12 -5.10 113.62 113.52 2af2 n SER 59 Ca 0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.49 2af2 n SER 59 Cb 0.47 0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 64.30 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ALA 60 N -1.75 -1.70 0.89 -1.46 0.00 -0.70 -4.32 121.76 112.71 2af2 s ALA 60 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2af2 s ALA 60 Cb 0.00 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2af2 s ALA 60 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2af2 n GLY 61 N -0.32 -0.77 0.93 0.00 0.00 -1.26 -3.58 105.19 100.19 2af2 n GLY 61 Ca -0.12 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.94 -1.04 -1.52 1.61 -0.04 -1.26 -3.89 135.00 127.92 2af2 n PRO 62 Ca 0.00 -0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 62.70 2af2 n PRO 62 Cb 0.00 -0.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 2af2 n PRO 62 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2af2 n HIS 63 N -2.83 0.64 -1.59 0.54 1.44 -1.24 -1.20 115.22 110.97 2af2 n HIS 63 Ca 0.04 0.12 -0.48 0.00 -2.01 0.00 0.00 57.72 55.39 2af2 n HIS 63 Cb 0.15 -1.84 -0.04 0.00 0.12 0.00 0.00 29.99 28.38 2af2 n HIS 63 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2af2 n PHE 64 N 11.43 1.46 -2.12 -1.40 7.35 -1.26 -4.83 117.46 128.08 2af2 n PHE 64 Ca 0.58 0.63 -0.35 0.00 -0.76 0.00 0.00 57.45 57.55 2af2 n PHE 64 Cb 0.24 -2.31 -0.04 0.00 0.35 0.00 0.00 39.48 37.72 2af2 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2af2 s ASN 65 N 0.09 5.39 -0.05 -2.13 0.01 -1.26 -4.87 114.94 112.12 2af2 s ASN 65 Ca 0.73 -0.20 -0.25 0.00 -0.71 0.00 0.00 52.86 52.43 2af2 s ASN 65 Cb -0.83 -2.55 -0.22 0.00 0.41 0.00 0.00 41.25 38.07 2af2 s ASN 65 CO 0.51 -2.40 1.11 1.55 -1.51 0.00 0.00 177.10 176.36 2af2 h PRO 66 N 12.92 0.09 0.00 -0.60 0.13 -1.88 -2.05 132.00 140.61 2af2 h PRO 66 Ca -0.11 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2af2 h PRO 66 Cb 1.09 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2af2 h PRO 66 CO 1.24 0.74 0.00 -0.11 -0.23 0.00 0.00 178.00 179.64 2af2 n LEU 67 N -4.67 0.00 -2.11 1.56 7.94 -1.26 -4.91 117.00 113.55 2af2 n LEU 67 Ca -0.09 0.09 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 2af2 n LEU 67 Cb 0.38 -0.09 0.04 0.00 0.53 0.00 0.00 43.42 44.28 2af2 n LEU 67 CO 0.36 -0.00 0.04 -0.24 -1.11 0.00 0.00 177.39 176.44 2af2 n SER 68 N -1.09 -2.49 -4.22 1.96 2.88 -0.77 -5.08 113.62 104.82 2af2 n SER 68 Ca 0.20 -0.28 -0.19 0.00 -1.33 0.00 0.00 58.87 57.28 2af2 n SER 68 Cb 0.15 -2.52 -0.10 0.00 -0.75 0.00 0.00 64.21 60.98 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 -4.36 1.55 0.79 -1.46 1.70 -1.26 -5.09 118.95 110.83 2af2 s ARG 69 Ca 0.05 -1.87 -0.12 0.00 -0.47 0.00 0.00 55.73 53.32 2af2 s ARG 69 Cb -0.01 -0.34 0.07 0.00 -0.57 0.00 0.00 34.95 34.11 2af2 s ARG 69 CO 0.32 -0.34 1.10 0.15 -1.08 0.00 0.00 175.30 175.45 2af2 s LYS 70 N -3.92 2.12 0.15 3.89 1.02 -1.26 -4.67 119.74 117.07 2af2 s LYS 70 Ca 0.36 0.58 -0.31 0.00 0.02 0.00 0.00 55.97 56.62 2af2 s LYS 70 Cb 0.07 -1.93 -0.08 0.00 -0.52 0.00 0.00 37.83 35.37 2af2 s LYS 70 CO 0.15 -1.58 1.32 -1.58 -0.92 0.00 0.00 175.35 172.74 2af2 s HIS 71 N -3.20 3.29 0.00 3.18 5.65 -1.21 -3.39 115.29 119.61 2af2 s HIS 71 Ca 0.61 1.14 0.00 0.00 0.25 0.00 0.00 55.06 57.06 2af2 s HIS 71 Cb -0.14 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.67 2af2 s HIS 71 CO 0.54 -1.95 0.00 0.41 -0.65 0.00 0.00 174.74 173.09 2af2 n GLY 72 N 2.92 2.48 0.00 1.59 0.00 -1.26 -1.01 105.19 109.90 2af2 n GLY 72 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.61 0.73 -0.02 0.00 0.27 -4.33 105.19 102.46 2af2 n GLY 73 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.77 0.00 1.61 -0.04 -1.26 -3.37 135.00 132.71 2af2 n PRO 74 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2af2 n PRO 74 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.35 0.00 -3.76 0.54 -0.00 -1.26 -5.04 118.16 108.98 2af2 n LYS 75 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.98 2af2 n LYS 75 Cb 0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 35.22 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2af2 s ASP 76 N 0.00 5.34 0.00 -5.58 2.15 -1.22 -4.99 116.67 112.37 2af2 s ASP 76 Ca 0.00 -3.48 0.00 0.00 0.43 0.00 0.00 52.55 49.50 2af2 s ASP 76 Cb 0.00 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.82 2af2 s ASP 76 CO 0.00 -0.21 0.36 -0.62 -0.17 0.00 0.00 175.17 174.54 2af2 n GLU 77 N 2.59 0.00 0.00 4.34 -0.58 -1.25 -0.56 120.64 125.17 2af2 n GLU 77 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2af2 n GLU 77 Cb 0.36 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2af2 n GLU 78 N -0.86 0.00 -0.32 3.49 -0.58 -1.26 -4.96 120.64 116.15 2af2 n GLU 78 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2af2 n GLU 78 Cb 0.00 -0.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 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 -1.99 3.49 0.63 -1.21 -4.86 116.66 112.72 2af2 n ARG 79 Ca 0.00 0.32 -0.38 0.00 -0.92 0.00 0.00 57.85 56.86 2af2 n ARG 79 Cb 0.00 0.00 0.01 0.00 0.45 0.00 0.00 32.46 32.92 2af2 n ARG 79 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2af2 s HIS 80 N -0.15 2.60 0.49 -0.14 3.76 -1.22 -4.90 115.29 115.73 2af2 s HIS 80 Ca 0.00 1.42 0.31 0.00 -0.15 0.00 0.00 55.06 56.64 2af2 s HIS 80 Cb 0.00 -3.65 1.41 0.00 1.11 0.00 0.00 32.58 31.44 2af2 s HIS 80 CO 0.00 -2.29 1.76 0.28 -0.85 0.00 0.00 174.74 173.64 2af2 h VAL 81 N 1.89 0.39 -2.80 -0.90 2.07 -1.93 -2.62 116.25 112.35 2af2 h VAL 81 Ca -0.50 -0.05 -0.78 0.00 0.82 0.00 0.00 66.70 66.20 2af2 h VAL 81 Cb 1.27 0.24 -0.30 0.00 -1.52 0.00 0.00 31.29 30.98 2af2 h VAL 81 CO 0.60 0.02 0.56 0.61 0.02 0.00 0.00 177.57 179.38 2af2 n GLY 82 N -1.66 5.11 2.99 2.17 0.00 -1.26 -4.77 105.19 107.77 2af2 n GLY 82 Ca 0.28 -2.69 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.88 -0.12 -0.42 1.61 1.01 -0.99 -0.44 116.67 115.44 2af2 s ASP 83 Ca 0.32 0.23 0.06 0.00 0.71 0.00 0.00 52.55 53.88 2af2 s ASP 83 Cb 0.06 0.23 0.42 0.00 1.01 0.00 0.00 42.92 44.65 2af2 s ASP 83 CO 0.09 -0.05 1.10 0.18 0.21 0.00 0.00 175.17 176.71 2af2 n LEU 84 N 3.09 4.52 0.00 1.23 4.77 -0.69 -4.97 117.00 124.95 2af2 n LEU 84 Ca -0.13 -5.10 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 2af2 n LEU 84 Cb 0.59 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2af2 n LEU 84 CO 0.22 2.19 0.00 0.61 -1.33 0.00 0.00 177.39 179.08 2af2 n GLY 85 N -0.47 3.97 3.17 -0.72 0.00 -1.24 -4.71 105.19 105.19 2af2 n GLY 85 Ca 0.37 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 2af2 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 86 N -4.00 0.27 -0.01 1.61 2.20 -1.26 -2.81 114.94 110.94 2af2 s ASN 86 Ca 0.00 -0.85 0.00 0.00 -0.94 0.00 0.00 52.86 51.07 2af2 s ASN 86 Cb 0.00 0.29 0.02 0.00 -2.00 0.00 0.00 41.25 39.56 2af2 s ASN 86 CO 0.00 -0.70 0.01 0.54 -2.94 0.00 0.00 177.10 174.02 2af2 s VAL 87 N -3.91 0.01 0.10 3.54 0.11 0.92 -4.95 120.40 116.22 2af2 s VAL 87 Ca 0.08 0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 2af2 s VAL 87 Cb 0.06 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.78 2af2 s VAL 87 CO -0.09 0.07 -0.07 0.28 -3.33 0.00 0.00 175.10 171.96 2af2 s THR 88 N 0.68 3.55 0.27 5.04 -1.32 -1.26 -0.12 115.64 122.48 2af2 s THR 88 Ca -0.06 -1.18 0.07 0.00 -1.21 0.00 0.00 61.69 59.31 2af2 s THR 88 Cb -0.09 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 2af2 s THR 88 CO -0.02 0.12 0.20 0.00 -2.21 0.00 0.00 174.62 172.72 2af2 s ALA 89 N -1.24 3.61 0.90 11.08 0.00 -0.32 -4.44 121.76 131.35 2af2 s ALA 89 Ca 0.23 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2af2 s ALA 89 Cb -0.11 -1.26 0.13 0.00 0.00 0.00 0.00 23.12 21.88 2af2 s ALA 89 CO 0.15 0.21 1.10 0.34 0.00 0.00 0.00 175.76 177.57 2af2 s ASP 90 N -3.86 3.51 0.00 0.00 2.15 0.10 -4.46 116.67 114.10 2af2 s ASP 90 Ca 0.34 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.56 2af2 s ASP 90 Cb -0.07 -1.91 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2af2 s ASP 90 CO 0.25 -2.58 0.92 2.29 -0.17 0.00 0.00 175.17 175.88 2af2 n LYS 91 N -3.82 0.00 -0.02 4.34 -0.00 -1.26 -0.31 118.16 117.09 2af2 n LYS 91 Ca 0.06 0.42 0.13 0.00 -0.00 0.00 0.00 58.31 58.93 2af2 n LYS 91 Cb 0.57 -1.52 0.51 0.00 -0.00 0.00 0.00 35.03 34.58 2af2 n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2af2 n ASP 92 N -1.42 1.49 -1.91 -5.58 2.03 -1.26 -4.98 116.55 104.93 2af2 n ASP 92 Ca 0.00 -1.53 -0.11 0.00 0.52 0.00 0.00 54.79 53.67 2af2 n ASP 92 Cb 0.02 -0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2af2 n GLY 93 N 1.16 0.26 2.91 0.27 0.00 0.57 -4.83 105.19 105.54 2af2 n GLY 93 Ca 0.19 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.13 0.61 -0.74 1.61 0.11 -1.24 -1.32 120.40 116.30 2af2 s VAL 94 Ca 0.27 -0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 58.99 2af2 s VAL 94 Cb -0.12 -0.62 0.18 0.00 -1.53 0.00 0.00 36.38 34.29 2af2 s VAL 94 CO 0.33 0.24 0.72 0.00 -3.33 0.00 0.00 175.10 173.06 2af2 s ALA 95 N 0.83 3.86 0.01 1.54 0.00 0.16 -0.72 121.76 127.44 2af2 s ALA 95 Ca -0.12 -2.99 -0.27 0.00 0.00 0.00 0.00 51.96 48.58 2af2 s ALA 95 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2af2 s ALA 95 CO 0.01 -2.27 0.84 0.34 0.00 0.00 0.00 175.76 174.68 2af2 s ASP 96 N 2.77 7.24 0.04 0.00 2.15 -1.26 -1.21 116.67 126.40 2af2 s ASP 96 Ca 0.14 1.49 0.05 0.00 0.43 0.00 0.00 52.55 54.67 2af2 s ASP 96 Cb -0.16 -2.50 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 2af2 s ASP 96 CO -0.05 -0.12 -0.16 0.54 -0.17 0.00 0.00 175.17 175.21 2af2 s VAL 97 N 0.54 1.24 -0.29 1.11 0.11 0.25 -5.01 120.40 118.36 2af2 s VAL 97 Ca 0.44 -1.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.48 2af2 s VAL 97 Cb -0.20 -1.11 0.19 0.00 -1.53 0.00 0.00 36.38 33.72 2af2 s VAL 97 CO 0.24 0.05 0.54 -0.44 -3.33 0.00 0.00 175.10 172.16 2af2 s SER 98 N -1.16 -1.09 0.09 3.54 0.01 -1.26 -2.25 113.70 111.58 2af2 s SER 98 Ca 0.03 0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.45 2af2 s SER 98 Cb -0.08 1.81 -0.04 0.00 0.21 0.00 0.00 66.02 67.92 2af2 s SER 98 CO 0.01 -0.31 -0.09 -0.63 0.41 0.00 0.00 173.24 172.64 2af2 s ILE 99 N 2.76 0.80 -0.04 1.44 1.01 0.07 -5.01 121.20 122.23 2af2 s ILE 99 Ca 0.11 -1.63 0.04 0.00 0.00 0.00 0.00 60.65 59.17 2af2 s ILE 99 Cb -0.11 -1.32 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 2af2 s ILE 99 CO -0.26 -0.62 -0.15 -0.70 0.00 0.00 0.00 174.94 173.21 2af2 s GLU 100 N -2.88 1.58 0.03 2.79 2.12 -1.26 0.16 118.70 121.24 2af2 s GLU 100 Ca 0.05 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2af2 s GLU 100 Cb -0.02 -1.40 -0.02 0.00 0.26 0.00 0.00 34.13 32.95 2af2 s GLU 100 CO -0.01 0.22 -0.05 0.34 -0.54 0.00 0.00 175.26 175.22 2af2 s ASP 101 N 0.05 0.50 -0.53 -1.70 2.15 -0.58 -4.98 116.67 111.59 2af2 s ASP 101 Ca -0.03 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 52.46 2af2 s ASP 101 Cb -0.11 0.08 0.35 0.00 -0.30 0.00 0.00 42.92 42.95 2af2 s ASP 101 CO 0.02 -0.28 0.93 -0.24 -0.17 0.00 0.00 175.17 175.43 2af2 n SER 102 N 1.46 3.89 0.00 -0.34 2.88 -1.26 -0.78 113.62 119.47 2af2 n SER 102 Ca -0.23 -3.57 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 2af2 n SER 102 Cb 0.55 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2af2 n SER 102 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2af2 n VAL 103 N -0.19 0.00 -1.75 2.46 3.14 -1.26 -4.96 118.33 115.78 2af2 n VAL 103 Ca 0.30 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.37 2af2 n VAL 103 Cb 0.47 -0.01 0.03 0.00 -1.06 0.00 0.00 33.84 33.27 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 -1.09 4.41 0.15 1.55 -0.00 -1.26 -5.02 121.20 119.94 2af2 s ILE 104 Ca 0.00 0.78 -0.18 0.00 -0.00 0.00 0.00 60.65 61.25 2af2 s ILE 104 Cb 0.00 -3.67 0.04 0.00 -0.00 0.00 0.00 42.46 38.83 2af2 s ILE 104 CO 0.00 -1.02 0.48 -0.94 -0.00 0.00 0.00 174.94 173.46 2af2 s SER 105 N -4.02 -0.34 -0.90 4.36 1.04 -1.26 -4.49 113.70 108.09 2af2 s SER 105 Ca 0.56 -0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 2af2 s SER 105 Cb -0.12 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.56 2af2 s SER 105 CO 0.54 -0.92 1.44 -0.76 0.98 0.00 0.00 173.24 174.53 2af2 s LEU 106 N -2.80 3.35 0.00 2.42 2.01 -1.26 -0.50 118.68 121.90 2af2 s LEU 106 Ca 0.03 -0.99 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2af2 s LEU 106 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.64 2af2 s LEU 106 CO -0.11 -1.74 0.03 -0.24 1.01 0.00 0.00 176.35 175.30 2af2 n SER 107 N 9.57 0.07 -1.98 2.29 2.88 0.31 -4.90 113.62 121.87 2af2 n SER 107 Ca 0.23 -0.46 -0.00 0.00 -1.33 0.00 0.00 58.87 57.30 2af2 n SER 107 Cb 0.50 0.10 -0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2af2 n GLY 108 N 0.10 -3.51 2.83 0.46 0.00 -0.82 -4.40 105.19 99.84 2af2 n GLY 108 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2af2 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 109 N 0.35 0.00 -0.06 1.61 2.03 -1.07 -4.71 116.55 114.70 2af2 n ASP 109 Ca -0.03 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.14 2af2 n ASP 109 Cb 0.05 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.32 2af2 n ASP 109 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2af2 h HIS 110 N 0.00 -0.00 0.00 -0.67 3.86 -1.86 -3.47 115.15 113.01 2af2 h HIS 110 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2af2 h HIS 110 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2af2 h HIS 110 CO 0.00 0.93 0.00 0.43 0.86 0.00 0.00 177.93 180.15 2af2 n SER 111 N -4.64 0.00 -4.66 2.45 7.64 -1.26 -5.02 113.62 108.13 2af2 n SER 111 Ca -0.10 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.52 2af2 n SER 111 Cb 0.45 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.56 2af2 n SER 111 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2af2 s ILE 112 N 0.86 2.28 0.00 0.44 -4.36 0.34 -4.83 121.20 115.94 2af2 s ILE 112 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 2af2 s ILE 112 Cb 0.00 -2.92 0.00 0.00 1.25 0.00 0.00 42.46 40.79 2af2 s ILE 112 CO 0.00 -0.06 0.00 -0.38 0.24 0.00 0.00 174.94 174.74 2af2 n ILE 113 N -1.05 -0.33 -0.88 8.37 2.08 -1.26 -0.53 119.36 125.77 2af2 n ILE 113 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2af2 n ILE 113 Cb 0.65 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 2.29 0.99 3.97 7.39 0.00 -0.56 -2.60 105.19 116.67 2af2 n GLY 114 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2af2 n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2af2 s ARG 115 N -0.11 2.98 -0.13 1.61 3.52 -1.26 -4.34 118.95 121.22 2af2 s ARG 115 Ca 0.00 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 2af2 s ARG 115 Cb 0.00 -2.66 0.05 0.00 -1.56 0.00 0.00 34.95 30.78 2af2 s ARG 115 CO 0.00 -0.22 0.03 0.99 -0.81 0.00 0.00 175.30 175.29 2af2 s THR 116 N -2.44 0.35 -0.19 4.11 2.01 -1.26 -1.20 115.64 117.02 2af2 s THR 116 Ca 0.49 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 2af2 s THR 116 Cb -0.10 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2af2 s THR 116 CO 0.35 -0.01 0.42 -0.22 -0.69 0.00 0.00 174.62 174.48 2af2 s LEU 117 N 1.96 4.17 -0.13 4.42 2.96 0.30 -0.28 118.68 132.09 2af2 s LEU 117 Ca 0.02 0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 2af2 s LEU 117 Cb -0.15 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2af2 s LEU 117 CO -0.07 -0.08 0.03 0.54 -1.32 0.00 0.00 176.35 175.46 2af2 s VAL 118 N 1.23 4.51 -0.24 1.68 0.11 -0.04 -0.62 120.40 127.03 2af2 s VAL 118 Ca 0.21 -0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 2af2 s VAL 118 Cb -0.15 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 2af2 s VAL 118 CO 0.08 0.54 0.30 0.54 -3.33 0.00 0.00 175.10 173.23 2af2 s VAL 119 N -0.29 5.25 0.72 2.04 0.11 -0.33 -2.44 120.40 125.46 2af2 s VAL 119 Ca 0.07 0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 59.49 2af2 s VAL 119 Cb -0.12 -3.63 0.06 0.00 -1.53 0.00 0.00 36.38 31.16 2af2 s VAL 119 CO 0.02 0.25 1.06 -1.00 -3.33 0.00 0.00 175.10 172.09 2af2 s HIS 120 N 1.52 2.97 -0.04 1.54 3.76 -0.15 -2.06 115.29 122.83 2af2 s HIS 120 Ca 0.13 0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 55.48 2af2 s HIS 120 Cb -0.15 -3.24 -0.08 0.00 1.11 0.00 0.00 32.58 30.23 2af2 s HIS 120 CO 0.08 -1.45 0.58 0.93 -0.85 0.00 0.00 174.74 174.02 2af2 h GLU 121 N -0.70 -0.48 -6.78 1.40 5.08 -1.49 -3.36 114.58 108.25 2af2 h GLU 121 Ca -0.45 0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 57.50 2af2 h GLU 121 Cb 1.31 0.11 0.05 0.00 0.50 0.00 0.00 28.75 30.72 2af2 h GLU 121 CO 0.62 -0.32 -0.07 0.15 -1.00 0.00 0.00 179.01 178.40 2af2 s LYS 122 N -3.17 2.42 0.55 2.33 3.01 -0.45 -4.24 119.74 120.19 2af2 s LYS 122 Ca -0.07 -1.04 -0.21 0.00 -1.01 0.00 0.00 55.97 53.64 2af2 s LYS 122 Cb 0.01 -2.54 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 2af2 s LYS 122 CO 0.22 -0.77 1.25 0.00 0.51 0.00 0.00 175.35 176.56 2af2 s ALA 123 N -2.73 2.73 0.11 5.17 0.00 0.47 -0.22 121.76 127.29 2af2 s ALA 123 Ca 0.59 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.36 2af2 s ALA 123 Cb -0.09 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.49 2af2 s ALA 123 CO 0.38 -1.14 1.14 -0.51 0.00 0.00 0.00 175.76 175.63 2af2 s ASP 124 N -1.31 7.18 0.41 0.00 1.01 -1.26 -4.07 116.67 118.62 2af2 s ASP 124 Ca 0.73 2.03 0.27 0.00 0.71 0.00 0.00 52.55 56.29 2af2 s ASP 124 Cb -0.34 -2.59 0.89 0.00 1.01 0.00 0.00 42.92 41.89 2af2 s ASP 124 CO 0.39 -0.35 1.79 -2.24 0.21 0.00 0.00 175.17 174.97 2af2 h ASP 125 N 6.00 0.00 -5.03 0.27 3.04 -1.19 -3.46 116.42 116.06 2af2 h ASP 125 Ca -0.43 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.28 2af2 h ASP 125 Cb 1.21 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 39.57 2af2 h ASP 125 CO 0.77 0.00 -0.29 0.18 -2.04 0.00 0.00 179.24 177.86 2af2 n LEU 126 N -2.80 -5.68 0.00 0.15 7.99 -1.26 -4.45 117.00 110.95 2af2 n LEU 126 Ca 0.03 -0.27 0.00 0.00 -0.01 0.00 0.00 56.01 55.75 2af2 n LEU 126 Cb 0.38 -2.90 0.00 0.00 -0.11 0.00 0.00 43.42 40.80 2af2 n LEU 126 CO 0.28 -0.54 0.00 0.61 -1.51 0.00 0.00 177.39 176.23 2af2 n GLY 127 N -1.50 1.92 2.73 -0.72 0.00 -0.18 -4.58 105.19 102.86 2af2 n GLY 127 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 2af2 n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2af2 n LYS 128 N -1.94 0.45 0.00 1.61 4.81 -1.16 -4.62 118.16 117.31 2af2 n LYS 128 Ca 0.00 -1.64 0.00 0.00 -0.87 0.00 0.00 58.31 55.80 2af2 n LYS 128 Cb 0.00 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.01 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2af2 n GLY 129 N 2.61 0.86 0.09 3.14 0.00 -1.26 -4.98 105.19 105.65 2af2 n GLY 129 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 5.00 -1.41 0.00 -0.02 0.00 -1.26 -4.98 105.19 102.52 2af2 n GLY 130 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.42 0.00 0.29 1.61 0.23 -1.26 -5.01 115.26 108.70 2af2 n ASN 131 Ca 0.01 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.91 2af2 n ASN 131 Cb 0.50 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 2af2 n ASN 131 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2af2 h GLU 132 N 0.00 -0.72 0.00 -3.83 4.22 -2.01 -3.02 114.58 109.22 2af2 h GLU 132 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2af2 h GLU 132 Cb 0.00 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2af2 h GLU 132 CO 0.00 -0.41 0.55 0.93 -2.18 0.00 0.00 179.01 177.90 2af2 h GLU 133 N -0.96 0.00 0.00 1.92 4.39 -1.97 0.26 114.58 118.22 2af2 h GLU 133 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2af2 h GLU 133 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2af2 h GLU 133 CO 0.13 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.85 2af2 n SER 134 N -2.44 0.00 0.00 1.42 3.41 -1.14 -0.93 113.62 113.94 2af2 n SER 134 Ca -0.01 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 2af2 n SER 134 Cb 0.57 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2af2 n SER 134 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2af2 n THR 135 N -1.32 0.00 0.05 6.66 -2.24 0.84 -2.96 114.28 115.31 2af2 n THR 135 Ca 0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.74 2af2 n THR 135 Cb 0.13 -0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 67.26 2af2 n THR 135 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2af2 h LYS 136 N 0.00 0.08 0.00 -0.78 1.57 -1.16 -3.20 116.57 113.08 2af2 h LYS 136 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2af2 h LYS 136 Cb 0.98 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2af2 h LYS 136 CO 0.00 0.97 0.00 0.25 -0.57 0.00 0.00 179.45 180.10 2af2 n THR 137 N -3.35 0.00 -2.16 -0.16 -2.24 -0.11 -4.81 114.28 101.45 2af2 n THR 137 Ca -0.07 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2af2 n THR 137 Cb 0.99 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 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 4.99 0.69 2.26 3.38 0.00 -1.03 -4.59 105.19 110.91 2af2 n GLY 138 Ca 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 0.06 -3.01 -0.97 1.61 4.05 -0.82 -0.61 115.26 115.57 2af2 n ASN 139 Ca -0.19 0.26 0.00 0.00 0.45 0.00 0.00 54.58 55.10 2af2 n ASN 139 Cb 0.82 -2.68 0.00 0.00 1.23 0.00 0.00 39.78 39.15 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 -1.67 2.04 0.00 5.20 0.00 -1.26 -4.81 120.51 120.01 2af2 n ALA 140 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2af2 n ALA 140 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.70 0.93 0.00 0.00 0.00 -1.26 -1.34 105.19 104.22 2af2 n GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.87 0.00 -3.53 1.61 2.88 -1.26 -4.93 113.62 110.25 2af2 n SER 142 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 2af2 n SER 142 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2af2 n SER 142 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 143 N -0.66 1.05 0.00 -1.46 1.70 -1.26 -2.02 118.95 116.30 2af2 s ARG 143 Ca 0.00 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 2af2 s ARG 143 Cb 0.00 0.49 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2af2 s ARG 143 CO 0.00 -0.35 0.00 1.47 -1.08 0.00 0.00 175.30 175.34 2af2 n LEU 144 N 0.74 0.00 -4.74 -1.89 -0.00 -0.87 -4.64 117.00 105.60 2af2 n LEU 144 Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.52 2af2 n LEU 144 Cb 0.58 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 44.12 2af2 n LEU 144 CO 0.22 0.00 0.68 0.00 -0.00 0.00 0.00 177.39 178.29 2af2 s ALA 145 N -2.00 1.87 0.10 1.47 0.00 -1.25 -4.80 121.76 117.15 2af2 s ALA 145 Ca 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.91 2af2 s ALA 145 Cb 0.00 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.91 2af2 s ALA 145 CO 0.00 -2.08 0.25 0.00 0.00 0.00 0.00 175.76 173.93 2af2 s GLY 147 N -2.84 -0.58 0.32 0.00 0.00 0.21 -1.02 107.32 103.40 2af2 s GLY 147 Ca 0.04 0.88 -0.15 0.00 0.00 0.00 0.00 44.72 45.50 2af2 s GLY 147 CO -0.11 0.54 0.73 0.14 0.00 0.00 0.00 173.10 174.41 2af2 s VAL 148 N -2.44 4.68 -0.75 1.40 1.01 -1.23 -0.54 120.40 122.54 2af2 s VAL 148 Ca -0.05 0.93 -0.17 0.00 0.00 0.00 0.00 61.98 62.69 2af2 s VAL 148 Cb -0.00 -3.61 0.15 0.00 0.00 0.00 0.00 36.38 32.91 2af2 s VAL 148 CO -0.01 -0.19 0.82 -0.63 0.00 0.00 0.00 175.10 175.09 2af2 s ILE 149 N -1.99 5.06 0.29 2.22 1.01 -0.34 -0.69 121.20 126.75 2af2 s ILE 149 Ca 0.54 -1.62 0.04 0.00 0.00 0.00 0.00 60.65 59.61 2af2 s ILE 149 Cb -0.10 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 2af2 s ILE 149 CO 0.18 -1.18 0.43 -0.83 0.00 0.00 0.00 174.94 173.53 2af2 s GLY 150 N 3.18 1.32 -0.67 6.18 0.00 -0.41 -1.50 107.32 115.42 2af2 s GLY 150 Ca 0.18 -1.20 -0.19 0.00 0.00 0.00 0.00 44.72 43.52 2af2 s GLY 150 CO -0.03 -1.17 0.82 -0.42 0.00 0.00 0.00 173.10 172.30 2af2 s ILE 151 N -2.11 4.77 -2.02 0.90 1.09 -1.26 -0.41 121.20 122.15 2af2 s ILE 151 Ca 0.38 -1.06 0.08 0.00 -1.10 0.00 0.00 60.65 58.95 2af2 s ILE 151 Cb -0.09 -4.57 0.22 0.00 -1.06 0.00 0.00 42.46 36.95 2af2 s ILE 151 CO 0.31 -1.24 1.25 0.00 -0.10 0.00 0.00 174.94 175.17 2af2 n ALA 152 N 6.46 2.52 0.00 9.38 0.00 -1.11 -4.93 120.51 132.83 2af2 n ALA 152 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2af2 n ALA 152 Cb 0.44 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44