#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 3.87 -5.01 0.00 -1.04 -1.00 -4.53 114.28 106.58 2af2 n THR 2 Ca 0.00 -4.01 -0.32 0.00 -2.04 0.00 0.00 64.05 57.68 2af2 n THR 2 Cb 0.00 -2.36 -0.17 0.00 -1.82 0.00 0.00 70.33 65.99 2af2 n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2af2 s LYS 3 N 4.25 3.02 0.44 -2.82 2.20 -1.26 -0.06 119.74 125.52 2af2 s LYS 3 Ca 0.54 -0.87 0.07 0.00 -0.36 0.00 0.00 55.97 55.36 2af2 s LYS 3 Cb 0.04 -2.34 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 2af2 s LYS 3 CO 0.08 0.10 0.37 0.00 -0.36 0.00 0.00 175.35 175.54 2af2 s ALA 4 N 0.52 4.08 0.11 3.13 0.00 0.23 -0.34 121.76 129.48 2af2 s ALA 4 Ca -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.04 2af2 s ALA 4 Cb -0.17 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2af2 s ALA 4 CO 0.05 -0.28 -0.12 0.54 0.00 0.00 0.00 175.76 175.95 2af2 s VAL 5 N -2.55 1.11 -0.19 0.00 0.11 0.66 -1.77 120.40 117.77 2af2 s VAL 5 Ca 0.45 -1.67 0.01 0.00 -2.93 0.00 0.00 61.98 57.83 2af2 s VAL 5 Cb -0.02 -1.43 0.04 0.00 -1.53 0.00 0.00 36.38 33.44 2af2 s VAL 5 CO 0.26 -0.50 -0.09 0.00 -3.33 0.00 0.00 175.10 171.44 2af2 s ALA 6 N -2.30 1.90 -1.25 1.54 0.00 0.11 -1.22 121.76 120.53 2af2 s ALA 6 Ca 0.07 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.78 2af2 s ALA 6 Cb -0.04 -1.25 0.16 0.00 0.00 0.00 0.00 23.12 21.99 2af2 s ALA 6 CO 0.01 -0.80 1.63 0.28 0.00 0.00 0.00 175.76 176.88 2af2 n VAL 7 N 4.72 4.24 -2.54 0.00 0.31 -1.11 -2.65 118.33 121.30 2af2 n VAL 7 Ca -0.14 -4.52 -0.42 0.00 -0.01 0.00 0.00 64.34 59.25 2af2 n VAL 7 Cb 0.47 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 30.95 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 1.21 3.35 -0.28 7.52 1.02 -0.73 -4.01 118.68 126.76 2af2 s LEU 8 Ca 0.43 -0.05 -0.18 0.00 0.02 0.00 0.00 54.13 54.35 2af2 s LEU 8 Cb 0.02 -2.95 0.08 0.00 0.02 0.00 0.00 46.19 43.37 2af2 s LEU 8 CO 0.01 -1.63 0.73 -0.75 0.02 0.00 0.00 176.35 174.72 2af2 s LYS 9 N 5.30 0.70 0.00 1.70 2.20 -0.93 -0.65 119.74 128.06 2af2 s LYS 9 Ca 0.42 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 2af2 s LYS 9 Cb -0.08 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2af2 s LYS 9 CO 0.22 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 2af2 n GLY 10 N 3.91 0.66 2.87 5.54 0.00 -0.65 -4.34 105.19 113.16 2af2 n GLY 10 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2af2 n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 11 N 0.00 1.57 -1.07 1.61 -0.08 -1.26 -5.01 116.55 112.32 2af2 n ASP 11 Ca 0.00 -2.14 0.07 0.00 -1.51 0.00 0.00 54.79 51.21 2af2 n ASP 11 Cb 0.00 -0.30 -0.02 0.00 2.34 0.00 0.00 41.12 43.14 2af2 n ASP 11 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2af2 n GLY 12 N -0.18 -1.34 0.15 0.27 0.00 -1.26 -4.31 105.19 98.51 2af2 n GLY 12 Ca 0.12 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.61 1.19 -2.71 1.61 -0.04 -1.26 -4.88 135.00 126.30 2af2 n PRO 13 Ca 0.00 -0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 62.77 2af2 n PRO 13 Cb 0.22 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.32 2af2 n PRO 13 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2af2 s VAL 14 N -1.94 4.16 0.22 0.52 -7.23 -1.26 -4.45 120.40 110.42 2af2 s VAL 14 Ca 0.28 2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 62.40 2af2 s VAL 14 Cb 0.14 -4.29 -0.02 0.00 0.56 0.00 0.00 36.38 32.77 2af2 s VAL 14 CO 0.22 0.42 0.32 -1.10 -0.31 0.00 0.00 175.10 174.65 2af2 s GLN 15 N -0.77 1.36 0.01 4.82 1.11 -0.30 -4.68 119.66 121.21 2af2 s GLN 15 Ca 0.44 -1.38 -0.02 0.00 0.01 0.00 0.00 55.36 54.41 2af2 s GLN 15 Cb -0.26 0.38 -0.01 0.00 -1.01 0.00 0.00 33.01 32.11 2af2 s GLN 15 CO 0.32 -0.51 0.01 0.20 0.01 0.00 0.00 175.29 175.32 2af2 s GLY 16 N -3.06 0.17 -0.19 3.09 0.00 0.18 -0.57 107.32 106.94 2af2 s GLY 16 Ca 0.28 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.57 2af2 s GLY 16 CO 0.09 -0.50 -0.02 -0.26 0.00 0.00 0.00 173.10 172.41 2af2 s ILE 17 N -1.30 1.00 -0.27 0.90 -5.25 -0.04 -1.77 121.20 114.47 2af2 s ILE 17 Ca -0.14 -0.75 -0.02 0.00 -0.99 0.00 0.00 60.65 58.74 2af2 s ILE 17 Cb -0.09 -1.32 0.09 0.00 2.95 0.00 0.00 42.46 44.10 2af2 s ILE 17 CO -0.00 -0.05 0.10 -0.63 -1.79 0.00 0.00 174.94 172.56 2af2 s ILE 18 N 1.66 0.44 0.67 8.37 -1.09 -1.09 -0.85 121.20 129.31 2af2 s ILE 18 Ca -0.02 -0.96 -0.13 0.00 -2.23 0.00 0.00 60.65 57.32 2af2 s ILE 18 Cb -0.17 -1.26 0.00 0.00 -1.58 0.00 0.00 42.46 39.46 2af2 s ILE 18 CO -0.07 -0.59 1.08 0.20 -1.23 0.00 0.00 174.94 174.33 2af2 s ASN 19 N 1.85 5.23 -0.31 3.58 0.02 0.11 0.07 114.94 125.50 2af2 s ASN 19 Ca 0.07 1.81 -0.02 0.00 -1.02 0.00 0.00 52.86 53.70 2af2 s ASN 19 Cb -0.17 -2.53 0.10 0.00 0.02 0.00 0.00 41.25 38.68 2af2 s ASN 19 CO -0.25 -1.54 0.13 -0.36 0.02 0.00 0.00 177.10 175.10 2af2 s PHE 20 N -2.67 0.83 -0.48 2.20 0.40 -0.73 -1.29 117.98 116.24 2af2 s PHE 20 Ca 0.62 -1.26 -0.22 0.00 -0.60 0.00 0.00 56.93 55.47 2af2 s PHE 20 Cb -0.17 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.22 2af2 s PHE 20 CO 0.47 -0.84 0.76 -2.00 0.70 0.00 0.00 175.22 174.30 2af2 s GLU 21 N 1.80 3.30 0.05 0.44 2.56 0.67 -0.60 118.70 126.91 2af2 s GLU 21 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.97 54.70 2af2 s GLU 21 Cb -0.17 -4.00 -0.04 0.00 2.00 0.00 0.00 34.13 31.91 2af2 s GLU 21 CO -0.29 -1.20 0.17 -1.14 -0.56 0.00 0.00 175.26 172.23 2af2 s GLN 22 N 3.20 3.28 -0.00 4.30 0.74 0.91 -1.07 119.66 131.03 2af2 s GLN 22 Ca 0.25 -0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.21 2af2 s GLN 22 Cb -0.14 -2.96 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 2af2 s GLN 22 CO 0.19 0.61 0.11 0.36 -0.55 0.00 0.00 175.29 176.01 2af2 n LYS 23 N 0.50 3.90 0.00 1.67 0.00 -1.26 -2.37 118.16 120.60 2af2 n LYS 23 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2af2 n LYS 23 Cb 0.52 -0.80 0.00 0.00 -0.00 0.00 0.00 35.03 34.75 2af2 n LYS 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2af2 n GLU 24 N -1.26 3.36 0.00 -1.58 4.71 -1.26 -4.90 120.64 119.70 2af2 n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2af2 n GLU 24 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.49 2af2 n GLU 24 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2af2 n SER 25 N 0.00 0.03 -1.45 1.62 3.41 -1.26 -4.84 113.62 111.13 2af2 n SER 25 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2af2 n SER 25 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.10 3.91 -2.85 4.04 3.02 -1.26 -4.53 115.26 115.49 2af2 n ASN 26 Ca 0.00 -2.55 -0.14 0.00 -0.03 0.00 0.00 54.58 51.86 2af2 n ASN 26 Cb 0.01 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 38.42 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 0.22 3.68 3.82 7.41 0.00 -1.26 -5.17 105.19 113.88 2af2 n GLY 27 Ca 0.17 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.85 1.22 -0.07 1.61 0.04 -1.26 -4.71 135.00 128.98 2af2 s PRO 28 Ca 0.09 0.17 -0.00 0.00 0.04 0.00 0.00 61.00 61.30 2af2 s PRO 28 Cb 0.00 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2af2 s PRO 28 CO 0.07 -2.12 -0.04 0.08 0.04 0.00 0.00 177.00 175.03 2af2 s VAL 29 N -3.40 0.66 -0.37 -0.36 1.01 -0.01 -4.57 120.40 113.36 2af2 s VAL 29 Ca 0.64 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 62.28 2af2 s VAL 29 Cb -0.13 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2af2 s VAL 29 CO 0.52 0.29 0.80 -0.75 0.00 0.00 0.00 175.10 175.96 2af2 s LYS 30 N 1.48 3.75 -0.14 2.72 2.20 -0.23 -1.52 119.74 128.00 2af2 s LYS 30 Ca -0.01 0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.78 2af2 s LYS 30 Cb -0.13 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 2af2 s LYS 30 CO -0.04 -0.86 0.33 0.08 -0.36 0.00 0.00 175.35 174.50 2af2 s VAL 31 N 3.13 5.27 0.13 4.02 1.01 0.10 -0.24 120.40 133.82 2af2 s VAL 31 Ca 0.32 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.78 2af2 s VAL 31 Cb -0.13 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.62 2af2 s VAL 31 CO 0.17 0.40 0.40 -1.66 0.00 0.00 0.00 175.10 174.40 2af2 s TRP 32 N 0.34 -0.18 -2.36 5.22 -2.14 -0.41 -0.11 118.94 119.30 2af2 s TRP 32 Ca 0.19 -0.15 0.00 0.00 2.66 0.00 0.00 56.10 58.80 2af2 s TRP 32 Cb -0.14 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 2af2 s TRP 32 CO 0.06 -0.70 0.00 0.41 -2.66 0.00 0.00 176.95 174.05 2af2 n GLY 33 N -0.22 0.49 3.39 3.67 0.00 -0.09 0.06 105.19 112.49 2af2 n GLY 33 Ca -0.16 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.45 -0.19 1.61 1.04 -0.03 -1.01 113.70 110.66 2af2 s SER 34 Ca 0.00 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.39 2af2 s SER 34 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2af2 s SER 34 CO 0.00 -0.89 -0.16 -0.63 0.98 0.00 0.00 173.24 172.54 2af2 s ILE 35 N -3.54 1.92 0.10 -1.02 1.09 -0.58 -0.86 121.20 118.30 2af2 s ILE 35 Ca 0.01 -1.01 0.06 0.00 -1.10 0.00 0.00 60.65 58.61 2af2 s ILE 35 Cb -0.00 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.53 2af2 s ILE 35 CO -0.11 0.37 -0.16 -1.59 -0.10 0.00 0.00 174.94 173.36 2af2 s LYS 36 N 1.31 0.97 0.00 2.79 -2.85 0.27 -0.72 119.74 121.51 2af2 s LYS 36 Ca 0.02 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 2af2 s LYS 36 Cb -0.15 -0.99 0.00 0.00 -2.06 0.00 0.00 37.83 34.64 2af2 s LYS 36 CO -0.10 0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.97 2af2 n GLY 37 N 0.94 0.56 3.99 0.59 0.00 -0.06 -1.15 105.19 110.06 2af2 n GLY 37 Ca -0.19 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 3.56 0.78 0.99 0.05 -1.17 -4.25 118.68 118.64 2af2 s LEU 38 Ca 0.00 -0.21 -0.11 0.00 0.05 0.00 0.00 54.13 53.87 2af2 s LEU 38 Cb 0.00 -2.77 0.06 0.00 -2.05 0.00 0.00 46.19 41.42 2af2 s LEU 38 CO 0.00 -0.85 1.09 0.28 -0.55 0.00 0.00 176.35 176.32 2af2 s THR 39 N -2.48 3.31 1.15 5.48 -1.32 -1.26 -4.41 115.64 116.11 2af2 s THR 39 Ca 0.54 0.43 -0.15 0.00 -1.21 0.00 0.00 61.69 61.30 2af2 s THR 39 Cb -0.10 -2.91 0.22 0.00 -1.51 0.00 0.00 72.50 68.19 2af2 s THR 39 CO 0.35 -0.56 0.64 -1.84 -2.21 0.00 0.00 174.62 171.01 2af2 n GLU 40 N -3.53 -2.07 0.00 7.08 -0.00 -1.26 -4.73 120.64 116.13 2af2 n GLU 40 Ca 0.09 -0.58 0.00 0.00 -0.00 0.00 0.00 57.16 56.67 2af2 n GLU 40 Cb 0.53 -2.00 0.00 0.00 -0.00 0.00 0.00 31.44 29.97 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2af2 n GLY 41 N 1.37 -2.41 3.66 -1.84 0.00 -0.16 -4.77 105.19 101.04 2af2 n GLY 41 Ca 0.02 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 4.06 -3.62 0.99 4.32 -1.26 -0.32 117.00 121.18 2af2 n LEU 42 Ca 0.00 0.92 -0.19 0.00 -0.02 0.00 0.00 56.01 56.72 2af2 n LEU 42 Cb 0.00 -1.45 -0.15 0.00 -1.62 0.00 0.00 43.42 40.20 2af2 n LEU 42 CO 0.00 -1.33 -0.25 -1.00 -1.22 0.00 0.00 177.39 173.59 2af2 s HIS 43 N -1.38 -0.12 0.66 -1.77 3.76 -0.17 -1.97 115.29 114.30 2af2 s HIS 43 Ca 0.71 0.34 -0.17 0.00 -0.15 0.00 0.00 55.06 55.79 2af2 s HIS 43 Cb -0.45 -0.37 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 2af2 s HIS 43 CO 0.50 -0.38 0.87 0.41 -0.85 0.00 0.00 174.74 175.29 2af2 n GLY 44 N 5.31 -0.62 2.89 -2.22 0.00 -1.03 -0.03 105.19 109.49 2af2 n GLY 44 Ca -0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.68 -0.84 0.08 1.61 5.36 -1.26 -0.68 117.98 120.57 2af2 s PHE 45 Ca 0.74 0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 57.17 2af2 s PHE 45 Cb -0.38 -0.10 -0.01 0.00 -0.34 0.00 0.00 43.02 42.19 2af2 s PHE 45 CO 0.50 -0.83 0.15 -1.01 -1.46 0.00 0.00 175.22 172.57 2af2 s HIS 46 N 2.52 0.23 -0.11 10.12 3.76 -0.56 -1.07 115.29 130.19 2af2 s HIS 46 Ca 0.11 -0.69 -0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2af2 s HIS 46 Cb -0.14 -0.13 0.02 0.00 1.11 0.00 0.00 32.58 33.44 2af2 s HIS 46 CO -0.22 -0.52 -0.08 0.54 -0.85 0.00 0.00 174.74 173.61 2af2 s VAL 47 N -3.88 1.02 0.18 -0.90 0.11 0.11 0.08 120.40 117.12 2af2 s VAL 47 Ca 0.06 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 2af2 s VAL 47 Cb 0.05 -1.03 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 2af2 s VAL 47 CO -0.10 0.36 0.97 -1.00 -3.33 0.00 0.00 175.10 172.00 2af2 s HIS 48 N 1.64 3.85 -1.39 1.54 3.76 0.40 -3.46 115.29 121.64 2af2 s HIS 48 Ca 0.04 1.82 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2af2 s HIS 48 Cb -0.13 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.51 2af2 s HIS 48 CO -0.07 0.19 0.36 -0.85 -0.85 0.00 0.00 174.74 173.52 2af2 n GLU 49 N 2.14 0.52 -4.58 1.40 0.00 -1.26 -2.14 120.64 116.72 2af2 n GLU 49 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.93 2af2 n GLU 49 Cb 0.48 -1.16 -0.14 0.00 0.00 0.00 0.00 31.44 30.62 2af2 n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2af2 s PHE 50 N -1.39 1.57 -0.28 -1.84 0.08 -1.26 -4.90 117.98 109.96 2af2 s PHE 50 Ca 0.00 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.72 2af2 s PHE 50 Cb 0.00 -0.95 0.19 0.00 -0.57 0.00 0.00 43.02 41.69 2af2 s PHE 50 CO 0.00 0.05 1.14 0.41 -0.10 0.00 0.00 175.22 176.73 2af2 n GLY 51 N 2.02 2.47 3.95 4.36 0.00 0.02 -1.44 105.19 116.56 2af2 n GLY 51 Ca -0.17 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 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 0.25 4.48 0.00 1.61 -1.08 -1.26 -4.70 116.67 115.97 2af2 s ASP 52 Ca 0.15 0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 2af2 s ASP 52 Cb 0.12 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.89 2af2 s ASP 52 CO 0.03 -1.79 0.00 0.59 0.52 0.00 0.00 175.17 174.52 2af2 n ASN 53 N -2.97 -4.99 -3.66 -0.34 3.02 -1.26 -4.76 115.26 100.30 2af2 n ASN 53 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 2af2 n ASN 53 Cb 0.60 -2.88 -0.11 0.00 -0.61 0.00 0.00 39.78 36.78 2af2 n ASN 53 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2af2 n THR 54 N -2.17 0.23 0.10 3.41 5.66 -1.26 -4.02 114.28 116.24 2af2 n THR 54 Ca 0.00 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2af2 n THR 54 Cb 0.37 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.12 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 10.21 2.72 0.00 1.79 0.00 -1.25 -4.75 120.51 129.24 2af2 n ALA 55 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2af2 n ALA 55 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 1.22 -0.57 0.00 0.00 0.00 -1.26 -1.64 105.19 102.95 2af2 n GLY 56 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.38 0.00 -3.82 0.00 5.66 -1.26 -4.92 114.28 108.56 2af2 n THR 58 Ca 0.00 -0.04 -0.09 0.00 -3.05 0.00 0.00 64.05 60.87 2af2 n THR 58 Cb 0.09 -0.33 0.02 0.00 -1.55 0.00 0.00 70.33 68.56 2af2 n THR 58 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2af2 s SER 59 N -1.95 0.04 0.72 1.09 0.01 -0.47 -5.13 113.70 108.01 2af2 s SER 59 Ca 0.44 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2af2 s SER 59 Cb 0.21 0.84 0.00 0.00 0.21 0.00 0.00 66.02 67.28 2af2 s SER 59 CO 0.35 -1.66 0.00 0.00 0.41 0.00 0.00 173.24 172.34 2af2 n ALA 60 N -0.53 0.00 0.00 1.44 0.00 -1.26 -4.77 120.51 115.39 2af2 n ALA 60 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2af2 n ALA 60 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2af2 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 61 N 0.00 -0.61 2.76 0.00 0.00 -1.26 -5.06 105.19 101.02 2af2 n GLY 61 Ca 0.00 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 4.10 -2.63 1.61 -0.04 -1.26 -4.87 135.00 131.91 2af2 n PRO 62 Ca 0.00 -4.57 -0.02 0.00 -0.04 0.00 0.00 63.50 58.87 2af2 n PRO 62 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 -0.24 -3.54 -1.30 0.54 -0.00 -1.26 -4.45 115.22 104.98 2af2 n HIS 63 Ca 0.41 1.54 -0.38 0.00 -0.00 0.00 0.00 57.72 59.30 2af2 n HIS 63 Cb 0.35 -3.80 0.04 0.00 -0.00 0.00 0.00 29.99 26.57 2af2 n HIS 63 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2af2 n PHE 64 N 0.43 -1.75 -3.63 -1.40 7.35 -1.26 -4.90 117.46 112.31 2af2 n PHE 64 Ca 0.02 0.38 -0.29 0.00 -0.76 0.00 0.00 57.45 56.80 2af2 n PHE 64 Cb 0.09 -1.82 -0.15 0.00 0.35 0.00 0.00 39.48 37.95 2af2 n PHE 64 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2af2 s ASN 65 N -1.20 3.65 0.19 -2.13 4.22 -1.26 -4.44 114.94 113.97 2af2 s ASN 65 Ca 0.62 -1.37 0.11 0.00 -2.14 0.00 0.00 52.86 50.07 2af2 s ASN 65 Cb -0.41 -0.56 -0.08 0.00 1.28 0.00 0.00 41.25 41.48 2af2 s ASN 65 CO 0.61 -0.42 1.36 1.55 -2.04 0.00 0.00 177.10 178.16 2af2 h PRO 66 N 8.27 0.00 0.00 3.55 0.13 -1.97 -0.90 132.00 141.09 2af2 h PRO 66 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2af2 h PRO 66 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2af2 h PRO 66 CO 0.44 0.77 0.00 1.28 -0.23 0.00 0.00 178.00 180.26 2af2 n LEU 67 N -3.30 0.00 -3.12 1.56 4.77 -1.26 -4.96 117.00 110.70 2af2 n LEU 67 Ca 0.01 0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 56.13 2af2 n LEU 67 Cb 0.85 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 41.71 2af2 n LEU 67 CO 0.44 -0.01 0.12 -0.24 -1.33 0.00 0.00 177.39 176.37 2af2 n SER 68 N -1.30 -2.73 -5.00 -1.43 2.88 -0.34 -5.01 113.62 100.68 2af2 n SER 68 Ca 0.13 -0.52 -0.18 0.00 -1.33 0.00 0.00 58.87 56.97 2af2 n SER 68 Cb 0.24 -4.49 0.02 0.00 -0.75 0.00 0.00 64.21 59.22 2af2 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2af2 s ARG 69 N -5.36 2.75 0.79 -1.46 0.52 -1.26 -5.09 118.95 109.84 2af2 s ARG 69 Ca 0.09 -1.20 -0.08 0.00 -0.52 0.00 0.00 55.73 54.02 2af2 s ARG 69 Cb -0.04 -2.71 0.12 0.00 0.52 0.00 0.00 34.95 32.84 2af2 s ARG 69 CO 0.63 -0.38 1.11 0.15 0.02 0.00 0.00 175.30 176.84 2af2 s LYS 70 N -4.43 1.59 0.53 3.54 -0.14 -1.26 -4.89 119.74 114.67 2af2 s LYS 70 Ca 0.56 -0.47 -0.20 0.00 -1.36 0.00 0.00 55.97 54.50 2af2 s LYS 70 Cb -0.10 -2.09 -0.06 0.00 -1.68 0.00 0.00 37.83 33.89 2af2 s LYS 70 CO 0.34 -1.66 1.12 -1.58 -0.76 0.00 0.00 175.35 172.80 2af2 s HIS 71 N -3.44 2.73 0.00 3.18 2.46 -0.27 -4.00 115.29 115.95 2af2 s HIS 71 Ca 0.66 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.74 2af2 s HIS 71 Cb -0.07 -3.26 0.00 0.00 -0.13 0.00 0.00 32.58 29.12 2af2 s HIS 71 CO 0.47 -1.45 0.00 0.41 -2.47 0.00 0.00 174.74 171.70 2af2 n GLY 72 N 0.10 1.07 0.00 1.59 0.00 -1.26 -3.99 105.19 102.71 2af2 n GLY 72 Ca 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 1.14 0.32 -0.02 0.00 -0.75 -3.76 105.19 102.12 2af2 n GLY 73 Ca 0.00 -0.52 0.17 0.00 0.00 0.00 0.00 46.02 45.67 2af2 n GLY 73 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2af2 h PRO 74 N 0.00 0.00 0.00 1.61 0.11 -1.93 -1.33 132.00 130.46 2af2 h PRO 74 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2af2 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2af2 h PRO 74 CO 0.00 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.15 2af2 n LYS 75 N -2.88 0.13 -3.87 1.05 -0.00 -1.26 -5.12 118.16 106.21 2af2 n LYS 75 Ca -0.02 -0.49 -0.10 0.00 -0.00 0.00 0.00 58.31 57.70 2af2 n LYS 75 Cb 0.27 -0.75 -0.08 0.00 -0.00 0.00 0.00 35.03 34.46 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 -0.16 0.09 0.00 -5.58 -1.08 -0.50 -5.00 116.67 104.44 2af2 s ASP 76 Ca 0.00 -0.46 0.25 0.00 -0.52 0.00 0.00 52.55 51.82 2af2 s ASP 76 Cb 0.00 0.28 0.50 0.00 -1.46 0.00 0.00 42.92 42.24 2af2 s ASP 76 CO 0.00 -0.57 1.41 -0.62 0.52 0.00 0.00 175.17 175.90 2af2 n GLU 77 N 0.58 0.38 0.00 4.34 1.02 -1.26 -1.81 120.64 123.89 2af2 n GLU 77 Ca -0.18 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.72 2af2 n GLU 77 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2af2 n GLU 78 N -1.10 0.00 -1.92 3.49 -0.58 -1.26 -4.93 120.64 114.33 2af2 n GLU 78 Ca 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2af2 n GLU 78 Cb 0.35 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.20 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 -2.00 -1.34 3.49 0.63 -1.25 -4.64 116.66 111.56 2af2 n ARG 79 Ca 0.00 1.78 -0.37 0.00 -0.92 0.00 0.00 57.85 58.35 2af2 n ARG 79 Cb 0.00 -2.70 0.06 0.00 0.45 0.00 0.00 32.46 30.28 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 0.73 -0.46 -0.19 -0.14 8.25 -1.26 -4.88 115.22 117.27 2af2 n HIS 80 Ca -0.17 0.38 0.19 0.00 -0.26 0.00 0.00 57.72 57.86 2af2 n HIS 80 Cb 0.26 -1.96 0.54 0.00 1.12 0.00 0.00 29.99 29.95 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 -0.18 0.71 -3.45 1.59 -1.51 -1.88 -3.07 116.25 108.47 2af2 h VAL 81 Ca -0.46 -0.12 -0.71 0.00 -1.23 0.00 0.00 66.70 64.18 2af2 h VAL 81 Cb 1.36 0.34 -0.31 0.00 -2.13 0.00 0.00 31.29 30.54 2af2 h VAL 81 CO 0.45 0.06 -0.50 -0.83 -1.23 0.00 0.00 177.57 175.52 2af2 s GLY 82 N -3.85 1.98 -0.30 5.19 0.00 -1.22 -4.79 107.32 104.32 2af2 s GLY 82 Ca -0.08 -2.36 -0.07 0.00 0.00 0.00 0.00 44.72 42.22 2af2 s GLY 82 CO 0.77 1.00 0.63 0.99 0.00 0.00 0.00 173.10 176.50 2af2 s ASP 83 N 2.08 -1.24 0.53 1.64 1.01 -1.16 -0.71 116.67 118.82 2af2 s ASP 83 Ca 0.05 1.31 0.08 0.00 0.71 0.00 0.00 52.55 54.70 2af2 s ASP 83 Cb -0.23 2.25 0.05 0.00 1.01 0.00 0.00 42.92 46.00 2af2 s ASP 83 CO -0.01 -0.23 0.62 -0.76 0.21 0.00 0.00 175.17 175.00 2af2 s LEU 84 N 2.88 3.13 0.88 1.23 1.43 -0.23 -4.93 118.68 123.07 2af2 s LEU 84 Ca 0.04 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 2af2 s LEU 84 Cb -0.13 -1.73 0.14 0.00 0.03 0.00 0.00 46.19 44.49 2af2 s LEU 84 CO -0.20 -1.12 1.24 -0.83 0.23 0.00 0.00 176.35 175.67 2af2 s GLY 85 N -4.47 1.68 0.52 -3.19 0.00 -1.26 -4.45 107.32 96.15 2af2 s GLY 85 Ca 0.53 -0.92 -0.19 0.00 0.00 0.00 0.00 44.72 44.14 2af2 s GLY 85 CO 0.33 -0.30 1.05 0.54 0.00 0.00 0.00 173.10 174.72 2af2 s ASN 86 N -4.73 6.16 -0.30 1.64 2.20 -1.26 -4.34 114.94 114.31 2af2 s ASN 86 Ca 0.68 1.90 -0.10 0.00 -0.94 0.00 0.00 52.86 54.39 2af2 s ASN 86 Cb -0.08 -2.55 -0.02 0.00 -2.00 0.00 0.00 41.25 36.60 2af2 s ASN 86 CO 0.51 -0.91 0.16 0.68 -2.94 0.00 0.00 177.10 174.60 2af2 s VAL 87 N -2.13 4.83 -0.28 3.54 -7.23 0.95 -4.77 120.40 115.32 2af2 s VAL 87 Ca 0.66 -0.21 -0.14 0.00 -1.81 0.00 0.00 61.98 60.48 2af2 s VAL 87 Cb -0.16 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 2af2 s VAL 87 CO 0.25 0.14 0.33 -0.89 -0.31 0.00 0.00 175.10 174.62 2af2 s THR 88 N 1.67 5.20 0.25 5.32 2.01 -1.26 -0.99 115.64 127.83 2af2 s THR 88 Ca 0.06 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.18 2af2 s THR 88 Cb -0.17 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 2af2 s THR 88 CO 0.08 0.15 0.96 0.00 -0.69 0.00 0.00 174.62 175.11 2af2 s ALA 89 N 2.00 3.34 0.85 7.40 0.00 0.57 -4.15 121.76 131.77 2af2 s ALA 89 Ca 0.13 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2af2 s ALA 89 Cb -0.16 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.84 2af2 s ALA 89 CO 0.10 0.17 1.14 0.34 0.00 0.00 0.00 175.76 177.51 2af2 s ASP 90 N -1.16 4.03 0.57 0.00 -1.08 0.15 -0.99 116.67 118.19 2af2 s ASP 90 Ca 0.42 1.00 0.36 0.00 -0.52 0.00 0.00 52.55 53.81 2af2 s ASP 90 Cb -0.26 -1.60 1.46 0.00 -1.46 0.00 0.00 42.92 41.06 2af2 s ASP 90 CO 0.33 -2.23 1.68 0.07 0.52 0.00 0.00 175.17 175.54 2af2 h LYS 91 N -1.27 0.00 -0.01 4.34 2.10 -1.98 -0.61 116.57 119.15 2af2 h LYS 91 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2af2 h LYS 91 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2af2 h LYS 91 CO 0.62 0.00 -0.04 -0.25 -2.00 0.00 0.00 179.45 177.79 2af2 n ASP 92 N -3.87 0.64 0.00 7.07 8.00 -1.26 -4.92 116.55 122.21 2af2 n ASP 92 Ca 0.26 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.74 2af2 n ASP 92 Cb 1.36 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.43 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 1.15 0.70 2.99 0.44 0.00 -0.24 -4.83 105.19 105.41 2af2 n GLY 93 Ca 0.19 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 1.01 -0.14 1.61 0.11 -1.24 -0.88 120.40 118.86 2af2 s VAL 94 Ca 0.00 -0.39 -0.16 0.00 -2.93 0.00 0.00 61.98 58.49 2af2 s VAL 94 Cb 0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 2af2 s VAL 94 CO 0.00 0.33 0.40 0.00 -3.33 0.00 0.00 175.10 172.50 2af2 s ALA 95 N 0.80 3.52 0.46 1.54 0.00 0.10 -0.67 121.76 127.51 2af2 s ALA 95 Ca -0.12 -0.32 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 2af2 s ALA 95 Cb -0.15 -2.55 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 2af2 s ALA 95 CO 0.02 0.00 0.97 0.34 0.00 0.00 0.00 175.76 177.09 2af2 s ASP 96 N 0.61 6.76 -0.06 0.00 2.15 -1.26 -1.53 116.67 123.34 2af2 s ASP 96 Ca 0.22 1.70 -0.00 0.00 0.43 0.00 0.00 52.55 54.90 2af2 s ASP 96 Cb -0.14 -2.54 0.03 0.00 -0.30 0.00 0.00 42.92 39.97 2af2 s ASP 96 CO 0.08 -0.48 -0.02 -0.69 -0.17 0.00 0.00 175.17 173.88 2af2 s VAL 97 N -2.25 0.44 -0.38 1.11 1.01 -0.18 -4.64 120.40 115.51 2af2 s VAL 97 Ca 0.62 0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.73 2af2 s VAL 97 Cb -0.10 -0.55 0.40 0.00 0.00 0.00 0.00 36.38 36.13 2af2 s VAL 97 CO 0.18 0.24 1.26 -1.54 0.00 0.00 0.00 175.10 175.25 2af2 n SER 98 N 4.70 -1.17 -4.95 3.32 3.41 -1.24 -0.91 113.62 116.79 2af2 n SER 98 Ca -0.15 -2.54 -0.19 0.00 -0.26 0.00 0.00 58.87 55.74 2af2 n SER 98 Cb 0.50 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 65.13 2af2 n SER 98 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2af2 s ILE 99 N -0.54 2.78 -0.07 -1.33 1.01 0.85 -4.91 121.20 118.98 2af2 s ILE 99 Ca 0.23 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 2af2 s ILE 99 Cb 0.41 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.95 2af2 s ILE 99 CO -0.06 0.00 -0.01 -0.70 0.00 0.00 0.00 174.94 174.17 2af2 s GLU 100 N -4.25 0.70 -0.11 2.79 2.12 -1.26 0.00 118.70 118.69 2af2 s GLU 100 Ca 0.52 0.05 -0.10 0.00 0.36 0.00 0.00 54.97 55.80 2af2 s GLU 100 Cb -0.06 -0.99 -0.05 0.00 0.26 0.00 0.00 34.13 33.29 2af2 s GLU 100 CO 0.31 -0.27 0.21 0.34 -0.54 0.00 0.00 175.26 175.31 2af2 s ASP 101 N 1.79 6.45 -0.53 -1.70 -1.08 -0.58 -4.94 116.67 116.09 2af2 s ASP 101 Ca 0.03 0.54 0.04 0.00 -0.52 0.00 0.00 52.55 52.64 2af2 s ASP 101 Cb -0.13 -2.12 0.39 0.00 -1.46 0.00 0.00 42.92 39.60 2af2 s ASP 101 CO -0.05 0.32 1.13 -1.54 0.52 0.00 0.00 175.17 175.55 2af2 n SER 102 N 2.39 4.89 0.00 -0.34 3.41 -1.26 -0.83 113.62 121.88 2af2 n SER 102 Ca -0.17 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.72 2af2 n SER 102 Cb 0.54 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.40 0.00 -1.81 -3.33 3.14 -1.26 -4.95 118.33 109.73 2af2 n VAL 103 Ca 0.38 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.46 2af2 n VAL 103 Cb 0.54 0.00 0.09 0.00 -1.06 0.00 0.00 33.84 33.41 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 -1.00 2.26 0.15 1.55 -0.00 -1.26 -5.07 121.20 117.83 2af2 s ILE 104 Ca 0.00 0.09 -0.16 0.00 -0.00 0.00 0.00 60.65 60.58 2af2 s ILE 104 Cb 0.00 -3.02 0.03 0.00 -0.00 0.00 0.00 42.46 39.47 2af2 s ILE 104 CO 0.00 -0.11 0.43 -0.94 -0.00 0.00 0.00 174.94 174.32 2af2 s SER 105 N -4.40 -0.21 -1.43 4.36 1.04 -1.26 -4.53 113.70 107.26 2af2 s SER 105 Ca 0.62 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 56.50 2af2 s SER 105 Cb -0.12 0.50 0.06 0.00 0.10 0.00 0.00 66.02 66.56 2af2 s SER 105 CO 0.51 -0.93 2.32 0.18 0.98 0.00 0.00 173.24 176.30 2af2 n LEU 106 N -0.26 7.41 -0.46 2.42 4.32 -1.26 -0.51 117.00 128.66 2af2 n LEU 106 Ca -0.13 -4.43 0.05 0.00 -0.02 0.00 0.00 56.01 51.47 2af2 n LEU 106 Cb 0.63 -1.55 0.09 0.00 -1.62 0.00 0.00 43.42 40.98 2af2 n LEU 106 CO 0.18 1.53 0.53 -1.20 -1.22 0.00 0.00 177.39 177.21 2af2 n SER 107 N 4.33 2.39 0.00 -1.43 7.64 -0.86 -4.90 113.62 120.78 2af2 n SER 107 Ca 0.56 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.67 2af2 n SER 107 Cb 0.33 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2af2 n GLY 108 N 0.39 1.69 0.30 0.23 0.00 -0.17 -3.22 105.19 104.42 2af2 n GLY 108 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 2af2 n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2af2 h ASP 109 N 0.00 0.66 0.09 1.61 3.58 -1.87 -2.72 116.42 117.77 2af2 h ASP 109 Ca 0.00 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2af2 h ASP 109 Cb 0.00 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.88 2af2 h ASP 109 CO 0.00 0.61 -0.08 1.41 -2.88 0.00 0.00 179.24 178.30 2af2 n HIS 110 N -4.34 0.00 0.00 0.28 8.25 -1.20 -4.91 115.22 113.31 2af2 n HIS 110 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2af2 n HIS 110 Cb 0.17 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.22 0.00 -4.45 0.41 7.64 -1.03 -4.88 113.62 111.10 2af2 n SER 111 Ca 0.17 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.83 2af2 n SER 111 Cb 0.33 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.31 1.83 0.00 0.44 -4.36 0.34 -4.68 121.20 116.08 2af2 s ILE 112 Ca 0.00 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.23 2af2 s ILE 112 Cb 0.00 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2af2 s ILE 112 CO 0.00 -0.30 0.00 -0.38 0.24 0.00 0.00 174.94 174.50 2af2 n ILE 113 N -0.63 0.00 -2.62 8.37 2.08 -1.26 -1.00 119.36 124.31 2af2 n ILE 113 Ca -0.05 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.08 2af2 n ILE 113 Cb 0.63 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 39.53 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 2.15 -0.29 3.84 7.39 0.00 0.06 -4.44 105.19 113.90 2af2 n GLY 114 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -5.18 2.23 -0.11 1.61 3.00 -1.26 -0.80 118.95 118.44 2af2 s ARG 115 Ca 0.13 -2.28 -0.01 0.00 0.00 0.00 0.00 55.73 53.58 2af2 s ARG 115 Cb -0.06 -1.76 0.03 0.00 0.00 0.00 0.00 34.95 33.16 2af2 s ARG 115 CO 0.17 -0.52 -0.06 0.99 0.00 0.00 0.00 175.30 175.88 2af2 s THR 116 N -2.86 0.91 -0.27 0.02 2.01 -0.52 -0.50 115.64 114.42 2af2 s THR 116 Ca 0.15 -0.26 -0.18 0.00 0.31 0.00 0.00 61.69 61.71 2af2 s THR 116 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2af2 s THR 116 CO 0.09 0.32 0.52 -0.22 -0.69 0.00 0.00 174.62 174.64 2af2 s LEU 117 N 1.75 4.09 -0.04 4.42 2.96 0.23 -0.45 118.68 131.64 2af2 s LEU 117 Ca 0.04 0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 54.31 2af2 s LEU 117 Cb -0.13 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.85 2af2 s LEU 117 CO -0.08 -0.32 0.29 0.54 -1.32 0.00 0.00 176.35 175.46 2af2 s VAL 118 N 2.34 5.25 -0.05 1.68 0.11 0.11 -1.03 120.40 128.81 2af2 s VAL 118 Ca 0.21 0.48 0.06 0.00 -2.93 0.00 0.00 61.98 59.80 2af2 s VAL 118 Cb -0.16 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.10 2af2 s VAL 118 CO 0.10 0.54 -0.22 0.54 -3.33 0.00 0.00 175.10 172.73 2af2 s VAL 119 N -1.12 2.38 0.28 2.04 0.11 -0.16 -1.50 120.40 122.44 2af2 s VAL 119 Ca 0.22 -0.96 0.05 0.00 -2.93 0.00 0.00 61.98 58.36 2af2 s VAL 119 Cb -0.14 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 2af2 s VAL 119 CO 0.11 0.57 0.41 -1.00 -3.33 0.00 0.00 175.10 171.86 2af2 s HIS 120 N -0.39 3.33 -0.20 1.54 3.76 0.14 -2.65 115.29 120.82 2af2 s HIS 120 Ca 0.03 -0.08 0.18 0.00 -0.15 0.00 0.00 55.06 55.04 2af2 s HIS 120 Cb -0.12 -1.74 0.05 0.00 1.11 0.00 0.00 32.58 31.87 2af2 s HIS 120 CO 0.02 0.26 1.27 0.93 -0.85 0.00 0.00 174.74 176.36 2af2 h GLU 121 N 1.04 0.00 0.00 1.40 5.08 -1.39 -3.38 114.58 117.33 2af2 h GLU 121 Ca -0.50 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.66 2af2 h GLU 121 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 2af2 h GLU 121 CO 0.58 0.31 -0.18 1.63 -1.00 0.00 0.00 179.01 180.35 2af2 n LYS 122 N -3.06 0.25 -1.57 2.33 4.76 -0.73 -4.83 118.16 115.31 2af2 n LYS 122 Ca -0.01 -1.58 -0.42 0.00 -2.87 0.00 0.00 58.31 53.43 2af2 n LYS 122 Cb 0.71 1.36 0.01 0.00 -1.84 0.00 0.00 35.03 35.27 2af2 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2af2 n ALA 123 N -1.85 -0.32 -2.87 7.82 0.00 -0.83 -2.48 120.51 119.98 2af2 n ALA 123 Ca -0.06 0.24 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 2af2 n ALA 123 Cb 0.30 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 2af2 n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2af2 s ASP 124 N -0.78 6.06 0.00 0.00 1.47 -1.26 -4.17 116.67 117.99 2af2 s ASP 124 Ca 0.63 0.18 0.24 0.00 1.18 0.00 0.00 52.55 54.77 2af2 s ASP 124 Cb -0.59 -1.79 1.01 0.00 -0.34 0.00 0.00 42.92 41.20 2af2 s ASP 124 CO 0.57 0.18 1.76 -0.90 0.68 0.00 0.00 175.17 177.46 2af2 n ASP 125 N 0.42 0.01 -2.96 2.11 5.68 0.20 -4.94 116.55 117.07 2af2 n ASP 125 Ca -0.07 0.50 -0.16 0.00 -0.50 0.00 0.00 54.79 54.56 2af2 n ASP 125 Cb 0.51 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.98 2af2 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2af2 n LEU 126 N -1.51 -1.10 0.00 -2.12 4.77 -1.26 -4.05 117.00 111.73 2af2 n LEU 126 Ca 0.06 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2af2 n LEU 126 Cb 0.28 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.47 2af2 n LEU 126 CO 0.22 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2af2 n GLY 127 N -0.93 -0.49 3.09 -0.72 0.00 -1.26 -3.68 105.19 101.21 2af2 n GLY 127 Ca -0.05 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.56 0.00 1.61 2.20 -1.24 -4.54 119.74 118.34 2af2 s LYS 128 Ca 0.00 0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2af2 s LYS 128 Cb 0.00 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.40 2af2 s LYS 128 CO 0.00 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.33 2af2 n GLY 129 N 5.25 0.65 0.00 5.54 0.00 -1.24 -5.05 105.19 110.33 2af2 n GLY 129 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 4.14 -2.09 0.00 -0.02 0.00 -1.26 -5.05 105.19 100.91 2af2 n GLY 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 0.02 1.61 0.23 -1.26 -5.03 115.26 110.83 2af2 n ASN 131 Ca 0.00 -0.94 -0.12 0.00 -0.53 0.00 0.00 54.58 52.99 2af2 n ASN 131 Cb 0.48 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.10 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 0.02 0.00 -3.83 4.81 -2.01 -3.00 114.58 110.57 2af2 h GLU 132 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2af2 h GLU 132 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2af2 h GLU 132 CO 0.00 0.12 -0.01 0.93 -0.73 0.00 0.00 179.01 179.32 2af2 h GLU 133 N -0.09 0.00 0.00 1.92 4.39 -1.98 0.19 114.58 119.01 2af2 h GLU 133 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2af2 h GLU 133 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2af2 h GLU 133 CO -0.00 0.01 0.00 0.43 -1.16 0.00 0.00 179.01 178.28 2af2 n SER 134 N -3.49 0.00 0.00 1.42 7.64 -1.13 -1.00 113.62 117.05 2af2 n SER 134 Ca -0.03 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2af2 n SER 134 Cb 0.09 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 2af2 n SER 134 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2af2 n THR 135 N -1.27 0.00 -0.00 0.44 -2.24 0.63 -3.59 114.28 108.24 2af2 n THR 135 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2af2 n THR 135 Cb 0.05 0.43 -0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.00 0.00 -0.78 1.57 -1.08 -0.70 116.57 115.58 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2af2 h LYS 136 CO 0.00 0.00 -0.81 0.25 -0.57 0.00 0.00 179.45 178.32 2af2 n THR 137 N -2.14 0.17 -0.97 -0.16 -2.24 -0.43 -3.99 114.28 104.52 2af2 n THR 137 Ca -0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2af2 n THR 137 Cb 0.00 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.40 0.52 3.40 3.38 0.00 -0.17 -4.33 105.19 109.37 2af2 n GLY 138 Ca 0.03 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 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 1.65 -4.39 -1.73 1.61 4.05 -0.31 -0.62 115.26 115.52 2af2 n ASN 139 Ca 0.00 -0.44 -0.00 0.00 0.45 0.00 0.00 54.58 54.58 2af2 n ASN 139 Cb 0.07 -3.58 -0.01 0.00 1.23 0.00 0.00 39.78 37.49 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 -3.73 3.09 0.00 5.20 0.00 -1.26 -4.75 120.51 119.06 2af2 n ALA 140 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2af2 n ALA 140 Cb 0.55 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.76 1.20 0.00 0.00 0.00 -1.26 -1.78 105.19 105.11 2af2 n GLY 141 Ca 0.02 -0.02 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 2.78 0.00 -3.22 1.61 2.88 -1.26 -4.95 113.62 111.46 2af2 n SER 142 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2af2 n SER 142 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 1.95 0.50 0.18 -1.46 3.03 -1.26 -2.65 118.95 119.23 2af2 s ARG 143 Ca 0.00 0.59 -0.02 0.00 2.03 0.00 0.00 55.73 58.32 2af2 s ARG 143 Cb 0.00 0.10 0.06 0.00 -1.03 0.00 0.00 34.95 34.08 2af2 s ARG 143 CO 0.00 -0.85 1.45 1.37 -1.13 0.00 0.00 175.30 176.13 2af2 h LEU 144 N 8.07 0.54 -7.74 -1.89 8.10 -1.79 -3.34 115.31 117.27 2af2 h LEU 144 Ca -0.12 -0.34 0.18 0.00 0.11 0.00 0.00 57.88 57.71 2af2 h LEU 144 Cb 1.16 -0.16 -0.07 0.00 -0.44 0.00 0.00 40.66 41.16 2af2 h LEU 144 CO 0.23 1.07 0.53 0.00 -4.11 0.00 0.00 178.44 176.15 2af2 s ALA 145 N -3.72 -1.64 0.21 0.17 0.00 -1.23 -4.70 121.76 110.84 2af2 s ALA 145 Ca -0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 2af2 s ALA 145 Cb 0.11 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.91 2af2 s ALA 145 CO 0.84 -1.05 0.56 0.00 0.00 0.00 0.00 175.76 176.11 2af2 s GLY 147 N -2.88 -0.44 0.32 0.00 0.00 -0.20 -2.20 107.32 101.92 2af2 s GLY 147 Ca 0.10 1.17 -0.28 0.00 0.00 0.00 0.00 44.72 45.71 2af2 s GLY 147 CO -0.01 0.88 1.12 0.14 0.00 0.00 0.00 173.10 175.24 2af2 s VAL 148 N -0.82 3.39 -1.28 1.40 1.01 -1.26 -0.60 120.40 122.25 2af2 s VAL 148 Ca -0.09 1.32 -0.19 0.00 0.00 0.00 0.00 61.98 63.02 2af2 s VAL 148 Cb -0.02 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.58 2af2 s VAL 148 CO 0.06 0.25 1.78 -0.63 0.00 0.00 0.00 175.10 176.57 2af2 s ILE 149 N -1.26 4.00 0.85 2.22 1.09 0.34 -2.74 121.20 125.69 2af2 s ILE 149 Ca 0.48 -1.71 -0.13 0.00 -1.10 0.00 0.00 60.65 58.20 2af2 s ILE 149 Cb -0.31 -5.07 0.11 0.00 -1.06 0.00 0.00 42.46 36.13 2af2 s ILE 149 CO 0.40 -1.80 1.20 -0.83 -0.10 0.00 0.00 174.94 173.80 2af2 s GLY 150 N 4.71 1.62 -0.18 6.18 0.00 -0.36 -0.76 107.32 118.54 2af2 s GLY 150 Ca 0.57 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 2af2 s GLY 150 CO 0.09 -0.18 0.09 -0.42 0.00 0.00 0.00 173.10 172.68 2af2 s ILE 151 N -3.59 5.08 -0.27 0.90 1.09 -1.26 -0.24 121.20 122.90 2af2 s ILE 151 Ca 0.64 0.07 0.09 0.00 -1.10 0.00 0.00 60.65 60.35 2af2 s ILE 151 Cb -0.10 -3.29 0.45 0.00 -1.06 0.00 0.00 42.46 38.46 2af2 s ILE 151 CO 0.50 0.47 1.19 0.00 -0.10 0.00 0.00 174.94 177.00 2af2 n ALA 152 N 3.33 4.55 0.00 9.38 0.00 0.53 -4.79 120.51 133.52 2af2 n ALA 152 Ca -0.17 -3.60 0.00 0.00 0.00 0.00 0.00 53.44 49.67 2af2 n ALA 152 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44