#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 5.17 -0.26 0.00 -1.32 -0.97 -4.85 115.64 113.41 2af2 s THR 2 Ca 0.00 0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.37 2af2 s THR 2 Cb 0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 2af2 s THR 2 CO 0.00 -0.02 1.16 -0.54 -2.21 0.00 0.00 174.62 173.01 2af2 s LYS 3 N 2.03 4.11 1.06 7.08 3.01 -1.26 -1.17 119.74 134.59 2af2 s LYS 3 Ca 0.12 1.31 -0.18 0.00 -1.01 0.00 0.00 55.97 56.22 2af2 s LYS 3 Cb -0.16 -3.75 0.24 0.00 -1.01 0.00 0.00 37.83 33.14 2af2 s LYS 3 CO 0.11 -0.85 1.26 0.00 0.51 0.00 0.00 175.35 176.38 2af2 s ALA 4 N 3.68 1.63 -0.39 5.17 0.00 0.35 -3.99 121.76 128.21 2af2 s ALA 4 Ca 0.50 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2af2 s ALA 4 Cb -0.16 -2.80 0.17 0.00 0.00 0.00 0.00 23.12 20.33 2af2 s ALA 4 CO 0.15 -2.91 0.53 0.14 0.00 0.00 0.00 175.76 173.67 2af2 s VAL 5 N -3.60 -0.74 -0.22 0.00 -7.23 0.47 -3.64 120.40 105.44 2af2 s VAL 5 Ca 0.74 -0.38 -0.20 0.00 -1.81 0.00 0.00 61.98 60.32 2af2 s VAL 5 Cb -0.05 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 2af2 s VAL 5 CO 0.54 -0.22 0.61 0.00 -0.31 0.00 0.00 175.10 175.71 2af2 s ALA 6 N 1.71 3.57 -0.19 1.32 0.00 0.13 -2.33 121.76 125.97 2af2 s ALA 6 Ca 0.16 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 2af2 s ALA 6 Cb -0.08 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 2af2 s ALA 6 CO -0.06 -0.65 0.33 0.54 0.00 0.00 0.00 175.76 175.92 2af2 s VAL 7 N 2.14 5.26 -0.12 0.00 0.11 -1.20 -1.90 120.40 124.68 2af2 s VAL 7 Ca 0.27 0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 59.87 2af2 s VAL 7 Cb -0.16 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 2af2 s VAL 7 CO 0.09 0.31 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.37 2af2 s LEU 8 N 1.02 3.27 -0.25 2.54 1.02 -0.58 -3.29 118.68 122.42 2af2 s LEU 8 Ca 0.17 -0.06 -0.17 0.00 0.02 0.00 0.00 54.13 54.08 2af2 s LEU 8 Cb -0.14 -1.76 0.07 0.00 0.02 0.00 0.00 46.19 44.38 2af2 s LEU 8 CO 0.06 0.25 0.62 -0.54 0.02 0.00 0.00 176.35 176.77 2af2 s LYS 9 N -0.12 0.66 0.00 1.70 1.02 -0.80 -0.94 119.74 121.26 2af2 s LYS 9 Ca 0.02 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.06 2af2 s LYS 9 Cb -0.13 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 2af2 s LYS 9 CO 0.03 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2af2 n GLY 10 N 3.81 0.29 2.66 -3.33 0.00 -1.19 -4.36 105.19 103.08 2af2 n GLY 10 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 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 1.00 1.61 0.40 1.61 1.01 -1.26 -5.04 116.67 116.01 2af2 s ASP 11 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 52.55 53.08 2af2 s ASP 11 Cb 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.72 2af2 s ASP 11 CO 0.00 -0.28 0.00 0.61 0.21 0.00 0.00 175.17 175.71 2af2 n GLY 12 N 5.27 0.68 0.00 0.21 0.00 -1.26 -1.53 105.19 108.57 2af2 n GLY 12 Ca -0.05 0.75 0.13 0.00 0.00 0.00 0.00 46.02 46.85 2af2 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 13 N 0.00 0.05 -3.11 1.61 -0.04 -1.26 -4.83 135.00 127.42 2af2 n PRO 13 Ca 0.00 0.05 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 2af2 n PRO 13 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2af2 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2af2 s VAL 14 N -2.95 5.04 0.07 0.52 1.01 -0.58 -4.17 120.40 119.33 2af2 s VAL 14 Ca 0.14 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 2af2 s VAL 14 Cb 0.17 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2af2 s VAL 14 CO 0.47 0.17 0.09 0.00 0.00 0.00 0.00 175.10 175.84 2af2 s GLN 15 N 1.44 0.71 0.14 2.72 0.00 -0.71 -3.17 119.66 120.79 2af2 s GLN 15 Ca 0.31 -1.02 -0.06 0.00 -0.00 0.00 0.00 55.36 54.60 2af2 s GLN 15 Cb -0.16 0.27 -0.02 0.00 0.00 0.00 0.00 33.01 33.10 2af2 s GLN 15 CO 0.13 -0.19 0.19 0.20 0.00 0.00 0.00 175.29 175.62 2af2 s GLY 16 N -2.76 0.58 -0.03 2.60 0.00 -0.12 -0.81 107.32 106.79 2af2 s GLY 16 Ca 0.04 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.73 2af2 s GLY 16 CO -0.10 -1.01 -0.06 -0.26 0.00 0.00 0.00 173.10 171.67 2af2 s ILE 17 N -3.98 0.61 -0.05 0.90 -5.25 -0.54 -1.52 121.20 111.37 2af2 s ILE 17 Ca 0.17 -0.24 -0.01 0.00 -0.99 0.00 0.00 60.65 59.58 2af2 s ILE 17 Cb 0.05 -0.58 0.03 0.00 2.95 0.00 0.00 42.46 44.91 2af2 s ILE 17 CO -0.01 0.21 0.02 -0.63 -1.79 0.00 0.00 174.94 172.75 2af2 s ILE 18 N 0.44 0.15 0.19 8.37 -1.09 -0.80 -2.06 121.20 126.41 2af2 s ILE 18 Ca -0.06 0.23 -0.15 0.00 -2.23 0.00 0.00 60.65 58.44 2af2 s ILE 18 Cb -0.10 -0.33 -0.08 0.00 -1.58 0.00 0.00 42.46 40.37 2af2 s ILE 18 CO 0.00 0.21 0.62 0.20 -1.23 0.00 0.00 174.94 174.74 2af2 s ASN 19 N 1.86 6.87 -0.26 3.58 0.02 -0.06 -0.69 114.94 126.26 2af2 s ASN 19 Ca 0.02 1.18 0.02 0.00 -1.02 0.00 0.00 52.86 53.06 2af2 s ASN 19 Cb -0.12 -2.33 0.06 0.00 0.02 0.00 0.00 41.25 38.88 2af2 s ASN 19 CO -0.04 0.03 -0.09 -0.36 0.02 0.00 0.00 177.10 176.67 2af2 s PHE 20 N -1.57 3.04 -0.39 2.20 0.40 -1.24 -2.66 117.98 117.76 2af2 s PHE 20 Ca 0.42 -2.19 -0.18 0.00 -0.60 0.00 0.00 56.93 54.38 2af2 s PHE 20 Cb -0.15 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.53 2af2 s PHE 20 CO 0.20 -0.85 0.49 -2.00 0.70 0.00 0.00 175.22 173.75 2af2 s GLU 21 N 1.18 3.39 -0.06 0.44 -6.30 -1.23 -0.50 118.70 115.61 2af2 s GLU 21 Ca -0.07 -0.42 -0.15 0.00 -2.50 0.00 0.00 54.97 51.82 2af2 s GLU 21 Cb -0.20 -3.88 -0.05 0.00 0.00 0.00 0.00 34.13 30.00 2af2 s GLU 21 CO -0.06 -0.76 0.40 -1.14 0.02 0.00 0.00 175.26 173.73 2af2 s GLN 22 N 2.34 4.09 -0.07 4.30 2.00 -0.32 -4.24 119.66 127.76 2af2 s GLN 22 Ca 0.16 0.36 -0.02 0.00 -2.00 0.00 0.00 55.36 53.86 2af2 s GLN 22 Cb -0.16 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 2af2 s GLN 22 CO 0.14 0.46 -0.08 0.36 -0.50 0.00 0.00 175.29 175.67 2af2 n LYS 23 N 2.68 0.17 -4.63 1.67 2.85 -1.26 0.06 118.16 119.69 2af2 n LYS 23 Ca -0.12 0.06 -0.32 0.00 -1.05 0.00 0.00 58.31 56.88 2af2 n LYS 23 Cb 0.52 -0.94 -0.06 0.00 -0.65 0.00 0.00 35.03 33.90 2af2 n LYS 23 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2af2 n GLU 24 N -3.06 0.74 0.23 -1.58 4.71 -1.26 -4.69 120.64 115.73 2af2 n GLU 24 Ca -0.14 -3.73 0.09 0.00 -0.01 0.00 0.00 57.16 53.37 2af2 n GLU 24 Cb 0.62 0.94 0.54 0.00 -1.01 0.00 0.00 31.44 32.53 2af2 n GLU 24 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2af2 h SER 25 N 1.18 0.00 0.00 1.62 4.64 -1.97 -3.31 113.55 115.71 2af2 h SER 25 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2af2 h SER 25 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2af2 h SER 25 CO 0.69 0.23 0.00 -0.46 -0.87 0.00 0.00 176.83 176.42 2af2 n ASN 26 N -3.68 0.00 -4.76 4.97 0.23 -1.26 -4.35 115.26 106.41 2af2 n ASN 26 Ca -0.01 -1.00 -0.35 0.00 -0.53 0.00 0.00 54.58 52.69 2af2 n ASN 26 Cb 0.35 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.08 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2af2 s GLY 27 N 0.00 2.49 0.32 4.83 0.00 -1.25 -4.88 107.32 108.84 2af2 s GLY 27 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.23 2af2 s GLY 27 CO 0.00 1.17 1.50 2.56 0.00 0.00 0.00 173.10 178.32 2af2 s PRO 28 N -3.60 4.16 -0.14 2.90 0.04 -1.26 -4.67 135.00 132.43 2af2 s PRO 28 Ca 0.72 2.50 -0.06 0.00 0.04 0.00 0.00 61.00 64.20 2af2 s PRO 28 Cb -0.25 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2af2 s PRO 28 CO 0.35 -0.51 0.09 0.08 0.04 0.00 0.00 177.00 177.04 2af2 s VAL 29 N -0.58 5.02 -0.32 -0.36 1.01 -1.00 -4.80 120.40 119.37 2af2 s VAL 29 Ca 0.57 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2af2 s VAL 29 Cb -0.46 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 2af2 s VAL 29 CO 0.54 0.54 0.60 -0.75 0.00 0.00 0.00 175.10 176.04 2af2 s LYS 30 N -0.38 3.83 -0.37 2.72 2.20 -1.26 -2.29 119.74 124.19 2af2 s LYS 30 Ca 0.10 0.18 -0.11 0.00 -0.36 0.00 0.00 55.97 55.78 2af2 s LYS 30 Cb -0.12 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 2af2 s LYS 30 CO 0.02 -0.60 0.20 0.08 -0.36 0.00 0.00 175.35 174.69 2af2 s VAL 31 N 2.57 4.61 0.26 4.02 1.01 0.14 -3.53 120.40 129.48 2af2 s VAL 31 Ca 0.24 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2af2 s VAL 31 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2af2 s VAL 31 CO 0.12 -0.20 0.06 -1.66 0.00 0.00 0.00 175.10 173.43 2af2 s TRP 32 N 1.57 1.59 -5.00 5.22 -2.14 -1.09 -0.54 118.94 118.55 2af2 s TRP 32 Ca 0.02 -1.08 0.00 0.00 2.66 0.00 0.00 56.10 57.70 2af2 s TRP 32 Cb -0.19 -0.95 0.00 0.00 -3.10 0.00 0.00 33.47 29.23 2af2 s TRP 32 CO 0.07 -0.21 0.00 0.41 -2.66 0.00 0.00 176.95 174.56 2af2 n GLY 33 N -0.47 -0.01 3.49 3.67 0.00 -0.84 -0.88 105.19 110.15 2af2 n GLY 33 Ca -0.02 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.63 -0.06 1.61 1.04 -0.87 -0.89 113.70 109.90 2af2 s SER 34 Ca 0.00 0.55 0.05 0.00 0.48 0.00 0.00 55.95 57.03 2af2 s SER 34 Cb 0.00 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 2af2 s SER 34 CO 0.00 -0.68 -0.20 -0.63 0.98 0.00 0.00 173.24 172.71 2af2 s ILE 35 N -1.74 1.65 0.01 -1.02 1.09 0.16 -1.47 121.20 119.88 2af2 s ILE 35 Ca -0.08 -0.83 -0.14 0.00 -1.10 0.00 0.00 60.65 58.50 2af2 s ILE 35 Cb -0.00 -1.41 0.02 0.00 -1.06 0.00 0.00 42.46 40.00 2af2 s ILE 35 CO 0.05 0.47 0.30 -1.59 -0.10 0.00 0.00 174.94 174.07 2af2 s LYS 36 N 0.07 0.72 0.00 2.79 -2.85 0.01 -0.61 119.74 119.88 2af2 s LYS 36 Ca -0.06 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 2af2 s LYS 36 Cb -0.13 0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2af2 s LYS 36 CO 0.03 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 175.68 2af2 n GLY 37 N 0.99 0.90 3.72 0.59 0.00 -0.57 -1.74 105.19 109.08 2af2 n GLY 37 Ca -0.20 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 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 3.25 0.84 0.99 2.34 -1.25 -4.23 118.68 120.62 2af2 s LEU 38 Ca 0.00 -0.77 -0.12 0.00 0.06 0.00 0.00 54.13 53.30 2af2 s LEU 38 Cb 0.00 -1.72 0.10 0.00 -0.56 0.00 0.00 46.19 44.00 2af2 s LEU 38 CO 0.00 -0.27 1.11 0.28 -1.06 0.00 0.00 176.35 176.40 2af2 s THR 39 N -2.42 2.75 0.00 5.48 -1.32 -1.26 -4.42 115.64 114.45 2af2 s THR 39 Ca 0.37 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.09 2af2 s THR 39 Cb -0.03 -2.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 2af2 s THR 39 CO 0.22 -0.32 0.00 -0.62 -2.21 0.00 0.00 174.62 171.70 2af2 n GLU 40 N -3.58 -0.60 -0.39 7.08 4.71 -1.26 -4.70 120.64 121.90 2af2 n GLU 40 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.27 2af2 n GLU 40 Cb 0.57 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.99 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2af2 n GLY 41 N 1.33 -2.09 3.77 0.62 0.00 -0.79 -4.59 105.19 103.45 2af2 n GLY 41 Ca 0.00 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 2af2 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2af2 s LEU 42 N 0.00 4.24 0.04 0.99 -0.00 -1.26 -0.65 118.68 122.04 2af2 s LEU 42 Ca 0.00 2.12 0.02 0.00 -0.00 0.00 0.00 54.13 56.26 2af2 s LEU 42 Cb 0.00 -4.05 -0.03 0.00 -0.00 0.00 0.00 46.19 42.12 2af2 s LEU 42 CO 0.00 -0.43 -0.07 -1.00 -0.00 0.00 0.00 176.35 174.85 2af2 s HIS 43 N -1.52 0.62 0.50 3.48 3.76 0.60 -3.70 115.29 119.03 2af2 s HIS 43 Ca 0.55 -0.56 0.08 0.00 -0.15 0.00 0.00 55.06 54.97 2af2 s HIS 43 Cb -0.25 -0.38 0.05 0.00 1.11 0.00 0.00 32.58 33.11 2af2 s HIS 43 CO 0.32 -0.12 0.69 0.20 -0.85 0.00 0.00 174.74 174.98 2af2 s GLY 44 N -1.74 1.84 -0.29 -2.22 0.00 0.11 -0.56 107.32 104.46 2af2 s GLY 44 Ca -0.08 -1.85 -0.11 0.00 0.00 0.00 0.00 44.72 42.67 2af2 s GLY 44 CO -0.01 -1.53 0.66 -1.36 0.00 0.00 0.00 173.10 170.86 2af2 s PHE 45 N -2.54 -1.28 -0.17 1.90 0.40 -1.22 -0.55 117.98 114.53 2af2 s PHE 45 Ca 0.58 2.28 -0.12 0.00 -0.60 0.00 0.00 56.93 59.08 2af2 s PHE 45 Cb -0.08 0.76 0.05 0.00 0.51 0.00 0.00 43.02 44.27 2af2 s PHE 45 CO 0.36 -0.63 0.43 -3.38 0.70 0.00 0.00 175.22 172.70 2af2 s HIS 46 N 2.59 -0.57 0.26 0.36 -3.43 -1.06 -3.99 115.29 109.45 2af2 s HIS 46 Ca -0.07 1.27 -0.19 0.00 -0.80 0.00 0.00 55.06 55.27 2af2 s HIS 46 Cb -0.10 0.24 -0.09 0.00 -1.43 0.00 0.00 32.58 31.20 2af2 s HIS 46 CO -0.19 -0.30 0.76 0.14 -2.00 0.00 0.00 174.74 173.14 2af2 s VAL 47 N 0.93 4.56 0.51 -5.38 -7.23 -1.26 -2.46 120.40 110.07 2af2 s VAL 47 Ca -0.06 1.26 0.07 0.00 -1.81 0.00 0.00 61.98 61.44 2af2 s VAL 47 Cb -0.06 -3.80 0.03 0.00 0.56 0.00 0.00 36.38 33.11 2af2 s VAL 47 CO -0.08 0.09 0.47 -1.00 -0.31 0.00 0.00 175.10 174.27 2af2 s HIS 48 N -1.66 1.90 0.14 2.82 3.76 -0.18 -3.95 115.29 118.10 2af2 s HIS 48 Ca 0.47 -0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 2af2 s HIS 48 Cb -0.15 -2.04 -0.07 0.00 1.11 0.00 0.00 32.58 31.42 2af2 s HIS 48 CO 0.20 -0.50 1.21 -1.83 -0.85 0.00 0.00 174.74 172.97 2af2 s GLU 49 N -4.31 4.46 0.11 1.40 1.03 -1.26 -4.61 118.70 115.52 2af2 s GLU 49 Ca 0.43 1.85 0.00 0.00 0.03 0.00 0.00 54.97 57.29 2af2 s GLU 49 Cb -0.03 -3.28 0.00 0.00 -0.80 0.00 0.00 34.13 30.02 2af2 s GLU 49 CO 0.26 -0.17 0.00 1.19 -1.33 0.00 0.00 175.26 175.21 2af2 n PHE 50 N 3.12 -0.82 1.00 4.83 3.72 -1.26 -4.63 117.46 123.42 2af2 n PHE 50 Ca 0.07 0.44 0.12 0.00 -0.05 0.00 0.00 57.45 58.02 2af2 n PHE 50 Cb 0.45 -0.75 0.13 0.00 -0.94 0.00 0.00 39.48 38.38 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 -2.80 0.97 3.76 1.37 0.00 -0.62 -1.96 105.19 105.91 2af2 n GLY 51 Ca -0.01 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.97 6.95 0.00 1.61 -1.08 -1.26 -4.87 116.67 116.05 2af2 s ASP 52 Ca 0.29 2.47 0.00 0.00 -0.52 0.00 0.00 52.55 54.79 2af2 s ASP 52 Cb 0.20 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2af2 s ASP 52 CO 0.30 -0.42 0.08 -0.46 0.52 0.00 0.00 175.17 175.19 2af2 n ASN 53 N 1.53 -0.02 0.10 -0.34 0.23 -1.26 -4.50 115.26 111.00 2af2 n ASN 53 Ca 0.02 -0.16 0.13 0.00 -0.53 0.00 0.00 54.58 54.04 2af2 n ASN 53 Cb 0.43 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.56 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2af2 n THR 54 N 0.00 0.55 -0.23 5.53 -2.24 -1.26 -1.23 114.28 115.40 2af2 n THR 54 Ca -0.00 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.61 2af2 n THR 54 Cb 0.10 -0.60 0.20 0.00 -2.10 0.00 0.00 70.33 67.92 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N -1.76 2.23 -0.67 6.98 0.00 -1.26 -5.07 120.51 120.96 2af2 n ALA 55 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2af2 n ALA 55 Cb 0.41 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.30 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 0.80 2.21 0.00 0.00 0.00 -0.37 -3.78 105.19 104.06 2af2 n GLY 56 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.23 0.07 0.00 0.00 5.66 -1.25 -4.55 114.28 112.98 2af2 n THR 58 Ca 0.00 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 2af2 n THR 58 Cb 0.04 1.36 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 2af2 n THR 58 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2af2 n SER 59 N 1.15 2.39 -4.41 1.09 3.41 -0.10 -4.96 113.62 112.18 2af2 n SER 59 Ca 0.12 -0.05 -0.27 0.00 -0.26 0.00 0.00 58.87 58.42 2af2 n SER 59 Cb 0.51 0.57 -0.12 0.00 -0.26 0.00 0.00 64.21 64.91 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2af2 s ALA 60 N -1.05 2.49 0.23 7.33 0.00 -0.34 -4.55 121.76 125.86 2af2 s ALA 60 Ca 0.00 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.38 2af2 s ALA 60 Cb 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 23.12 22.83 2af2 s ALA 60 CO 0.00 0.42 0.30 0.41 0.00 0.00 0.00 175.76 176.89 2af2 n GLY 61 N 0.31 2.06 3.00 0.00 0.00 -1.26 -4.11 105.19 105.19 2af2 n GLY 61 Ca -0.13 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 -1.44 3.70 -3.66 1.61 -0.04 -1.26 -4.85 135.00 129.06 2af2 n PRO 62 Ca 0.06 -3.75 -0.20 0.00 -0.04 0.00 0.00 63.50 59.56 2af2 n PRO 62 Cb 0.24 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 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 3.78 -2.21 -0.92 0.54 1.44 -1.26 -4.70 115.22 111.89 2af2 n HIS 63 Ca 0.37 0.89 -0.34 0.00 -2.01 0.00 0.00 57.72 56.63 2af2 n HIS 63 Cb 0.37 -3.01 -0.04 0.00 0.12 0.00 0.00 29.99 27.44 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 -2.47 0.10 -1.37 -1.40 -0.00 -1.26 -4.78 117.46 106.28 2af2 n PHE 64 Ca -0.26 0.64 -0.25 0.00 -0.00 0.00 0.00 57.45 57.58 2af2 n PHE 64 Cb 0.66 -1.28 0.14 0.00 -0.00 0.00 0.00 39.48 39.00 2af2 n PHE 64 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2af2 n ASN 65 N 1.08 4.99 0.16 -2.13 6.94 -1.26 -3.71 115.26 121.32 2af2 n ASN 65 Ca 0.12 -3.72 0.12 0.00 -0.02 0.00 0.00 54.58 51.09 2af2 n ASN 65 Cb 0.10 -0.82 0.56 0.00 -2.36 0.00 0.00 39.78 37.26 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2af2 h PRO 66 N 1.44 0.00 0.00 -0.53 0.13 -1.95 0.22 132.00 131.31 2af2 h PRO 66 Ca 0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.67 2af2 h PRO 66 Cb 1.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.99 2af2 h PRO 66 CO 1.13 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.18 2af2 n LEU 67 N -2.32 0.00 -1.65 1.56 7.99 -1.26 -4.95 117.00 116.37 2af2 n LEU 67 Ca 0.01 0.04 -0.02 0.00 -0.01 0.00 0.00 56.01 56.03 2af2 n LEU 67 Cb 0.16 -0.04 0.01 0.00 -0.11 0.00 0.00 43.42 43.44 2af2 n LEU 67 CO 0.17 -0.01 0.00 -0.24 -1.51 0.00 0.00 177.39 175.81 2af2 n SER 68 N -1.04 -2.45 -4.02 -1.43 2.88 0.77 -5.06 113.62 103.27 2af2 n SER 68 Ca 0.19 -0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.57 2af2 n SER 68 Cb 0.11 -0.98 -0.06 0.00 -0.75 0.00 0.00 64.21 62.53 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 -3.19 1.45 0.73 -1.46 1.70 -1.24 -5.16 118.95 111.77 2af2 s ARG 69 Ca 0.04 -1.29 -0.13 0.00 -0.47 0.00 0.00 55.73 53.88 2af2 s ARG 69 Cb -0.01 0.43 0.04 0.00 -0.57 0.00 0.00 34.95 34.84 2af2 s ARG 69 CO 0.07 -0.58 1.13 0.15 -1.08 0.00 0.00 175.30 174.99 2af2 s LYS 70 N -4.03 2.36 0.48 3.89 1.02 -1.26 -4.86 119.74 117.34 2af2 s LYS 70 Ca 0.24 1.41 -0.20 0.00 0.02 0.00 0.00 55.97 57.44 2af2 s LYS 70 Cb 0.01 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2af2 s LYS 70 CO 0.08 -1.60 1.03 -1.58 -0.92 0.00 0.00 175.35 172.37 2af2 s HIS 71 N -2.46 3.02 -2.68 3.18 5.65 -0.90 -3.63 115.29 117.46 2af2 s HIS 71 Ca 0.67 1.58 0.00 0.00 0.25 0.00 0.00 55.06 57.56 2af2 s HIS 71 Cb -0.21 -3.05 0.00 0.00 -1.18 0.00 0.00 32.58 28.14 2af2 s HIS 71 CO 0.48 -0.78 0.00 0.41 -0.65 0.00 0.00 174.74 174.20 2af2 n GLY 72 N -0.27 -0.11 0.00 1.59 0.00 -1.26 -1.07 105.19 104.06 2af2 n GLY 72 Ca 0.09 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.41 0.00 -0.02 0.00 -1.26 -4.61 105.19 97.89 2af2 n GLY 73 Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 46.02 46.62 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 0.27 0.00 1.61 -0.04 -1.26 -1.62 135.00 133.96 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 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.98 0.00 -2.61 0.54 2.85 -1.26 -5.12 118.16 111.59 2af2 n LYS 75 Ca 0.06 -0.08 -0.20 0.00 -1.05 0.00 0.00 58.31 57.05 2af2 n LYS 75 Cb 0.03 -0.44 0.09 0.00 -0.65 0.00 0.00 35.03 34.06 2af2 n LYS 75 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2af2 n ASP 76 N 0.00 1.58 -0.09 -5.58 2.03 -0.64 -4.95 116.55 108.90 2af2 n ASP 76 Ca 0.00 -2.23 -0.11 0.00 0.52 0.00 0.00 54.79 52.98 2af2 n ASP 76 Cb 0.29 -0.50 -0.15 0.00 -0.72 0.00 0.00 41.12 40.04 2af2 n ASP 76 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2af2 n GLU 77 N -2.46 0.68 0.00 -0.67 2.13 -1.26 -4.81 120.64 114.25 2af2 n GLU 77 Ca 0.15 0.06 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2af2 n GLU 77 Cb 0.55 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 30.70 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2af2 n GLU 78 N -2.86 0.00 -0.05 5.31 1.02 -1.26 -5.11 120.64 117.70 2af2 n GLU 78 Ca -0.32 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 2af2 n GLU 78 Cb 1.12 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.54 2af2 n GLU 78 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2af2 n ARG 79 N -2.41 0.00 -0.91 3.49 0.63 -1.24 -4.95 116.66 111.27 2af2 n ARG 79 Ca 0.00 0.05 -0.28 0.00 -0.92 0.00 0.00 57.85 56.69 2af2 n ARG 79 Cb 0.00 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.12 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 -0.72 1.78 -1.42 -0.14 3.76 -1.24 -4.93 115.29 112.37 2af2 s HIS 80 Ca 0.00 1.05 -0.10 0.00 -0.15 0.00 0.00 55.06 55.87 2af2 s HIS 80 Cb 0.00 -3.20 0.06 0.00 1.11 0.00 0.00 32.58 30.56 2af2 s HIS 80 CO 0.00 -3.34 2.35 1.33 -0.85 0.00 0.00 174.74 174.23 2af2 n VAL 81 N -4.51 4.35 0.00 -0.90 0.24 -1.24 -4.12 118.33 112.15 2af2 n VAL 81 Ca 0.04 -3.61 0.00 0.00 -2.04 0.00 0.00 64.34 58.73 2af2 n VAL 81 Cb 0.56 -2.41 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 2af2 n VAL 81 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2af2 n GLY 82 N 3.03 1.17 3.46 7.63 0.00 -1.26 -4.90 105.19 114.33 2af2 n GLY 82 Ca 0.58 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 -0.56 0.41 1.61 1.01 -1.25 -4.57 116.67 113.31 2af2 s ASP 83 Ca 0.00 0.56 0.04 0.00 0.71 0.00 0.00 52.55 53.86 2af2 s ASP 83 Cb 0.00 0.50 -0.02 0.00 1.01 0.00 0.00 42.92 44.41 2af2 s ASP 83 CO 0.00 -0.60 0.13 -0.76 0.21 0.00 0.00 175.17 174.15 2af2 s LEU 84 N -1.29 2.00 0.00 1.23 1.43 -1.26 -4.70 118.68 116.09 2af2 s LEU 84 Ca -0.11 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.31 2af2 s LEU 84 Cb -0.01 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.09 2af2 s LEU 84 CO 0.08 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.34 2af2 n GLY 85 N -0.92 0.80 3.45 -3.19 0.00 -1.26 -4.70 105.19 99.36 2af2 n GLY 85 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.00 -0.01 0.21 1.61 2.20 -1.26 -3.39 114.94 113.31 2af2 s ASN 86 Ca 0.00 -1.08 -0.00 0.00 -0.94 0.00 0.00 52.86 50.84 2af2 s ASN 86 Cb 0.00 0.51 -0.04 0.00 -2.00 0.00 0.00 41.25 39.72 2af2 s ASN 86 CO 0.00 -1.03 0.14 0.54 -2.94 0.00 0.00 177.10 173.81 2af2 s VAL 87 N -4.06 0.04 -0.01 3.54 0.11 0.28 -4.99 120.40 115.30 2af2 s VAL 87 Ca 0.28 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.32 2af2 s VAL 87 Cb 0.02 -2.51 0.01 0.00 -1.53 0.00 0.00 36.38 32.37 2af2 s VAL 87 CO 0.10 0.00 0.03 -0.89 -3.33 0.00 0.00 175.10 171.01 2af2 s THR 88 N -4.08 -0.01 -0.09 5.04 2.01 -1.26 -0.29 115.64 116.96 2af2 s THR 88 Ca 0.39 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 2af2 s THR 88 Cb 0.07 -0.06 -0.05 0.00 0.01 0.00 0.00 72.50 72.47 2af2 s THR 88 CO 0.13 0.01 0.23 0.00 -0.69 0.00 0.00 174.62 174.31 2af2 s ALA 89 N 0.18 3.80 0.53 7.40 0.00 0.18 -4.02 121.76 129.82 2af2 s ALA 89 Ca -0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 2af2 s ALA 89 Cb -0.02 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2af2 s ALA 89 CO -0.01 0.52 0.83 0.34 0.00 0.00 0.00 175.76 177.44 2af2 s ASP 90 N -0.87 5.89 0.60 0.00 2.15 0.27 -1.88 116.67 122.84 2af2 s ASP 90 Ca 0.17 0.75 0.27 0.00 0.43 0.00 0.00 52.55 54.18 2af2 s ASP 90 Cb -0.13 -1.91 1.49 0.00 -0.30 0.00 0.00 42.92 42.07 2af2 s ASP 90 CO 0.07 -0.83 1.83 0.07 -0.17 0.00 0.00 175.17 176.13 2af2 h LYS 91 N 0.05 0.00 -0.14 4.34 2.10 -1.97 -1.61 116.57 119.34 2af2 h LYS 91 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2af2 h LYS 91 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2af2 h LYS 91 CO 0.61 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 2af2 n ASP 92 N -2.74 1.48 0.00 7.07 9.92 -1.26 -4.91 116.55 126.10 2af2 n ASP 92 Ca -0.02 -1.66 0.00 0.00 -0.53 0.00 0.00 54.79 52.58 2af2 n ASP 92 Cb 0.35 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2af2 n GLY 93 N 1.10 1.07 2.81 0.44 0.00 -0.61 -4.94 105.19 105.05 2af2 n GLY 93 Ca 0.16 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 0.04 -0.17 1.61 0.11 -1.18 -1.51 120.40 117.30 2af2 s VAL 94 Ca 0.00 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.03 2af2 s VAL 94 Cb 0.00 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.67 2af2 s VAL 94 CO 0.00 0.09 0.29 0.00 -3.33 0.00 0.00 175.10 172.15 2af2 s ALA 95 N 0.80 3.59 -0.07 1.54 0.00 0.22 -0.56 121.76 127.29 2af2 s ALA 95 Ca -0.07 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.43 2af2 s ALA 95 Cb -0.10 -2.40 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 2af2 s ALA 95 CO -0.02 0.03 -0.19 0.34 0.00 0.00 0.00 175.76 175.92 2af2 s ASP 96 N 0.57 3.54 -0.08 0.00 2.15 -1.26 -0.67 116.67 120.93 2af2 s ASP 96 Ca 0.16 -0.38 0.03 0.00 0.43 0.00 0.00 52.55 52.78 2af2 s ASP 96 Cb -0.13 -0.99 0.01 0.00 -0.30 0.00 0.00 42.92 41.51 2af2 s ASP 96 CO 0.04 0.26 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.44 2af2 s VAL 97 N -0.23 1.50 -0.42 1.11 1.01 -0.07 -4.77 120.40 118.53 2af2 s VAL 97 Ca -0.01 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2af2 s VAL 97 Cb -0.13 -1.34 0.22 0.00 0.00 0.00 0.00 36.38 35.13 2af2 s VAL 97 CO 0.03 0.44 0.53 -1.54 0.00 0.00 0.00 175.10 174.56 2af2 n SER 98 N 3.72 -0.85 -4.94 3.32 3.41 -1.26 -1.98 113.62 115.04 2af2 n SER 98 Ca -0.21 -2.69 -0.22 0.00 -0.26 0.00 0.00 58.87 55.49 2af2 n SER 98 Cb 0.52 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.29 5.12 0.00 -1.33 1.09 0.30 -4.97 121.20 121.12 2af2 s ILE 99 Ca 0.33 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2af2 s ILE 99 Cb 0.12 -3.76 -0.00 0.00 -1.06 0.00 0.00 42.46 37.75 2af2 s ILE 99 CO -0.15 -0.31 -0.02 -0.70 -0.10 0.00 0.00 174.94 173.66 2af2 s GLU 100 N -3.87 0.16 -0.06 2.79 2.12 -1.26 0.28 118.70 118.86 2af2 s GLU 100 Ca 0.34 -0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.44 2af2 s GLU 100 Cb -0.09 -0.10 0.02 0.00 0.26 0.00 0.00 34.13 34.22 2af2 s GLU 100 CO 0.28 0.02 0.19 0.34 -0.54 0.00 0.00 175.26 175.56 2af2 s ASP 101 N -0.29 -0.18 -0.63 -1.70 -1.08 -0.97 -4.97 116.67 106.85 2af2 s ASP 101 Ca -0.02 0.33 0.02 0.00 -0.52 0.00 0.00 52.55 52.36 2af2 s ASP 101 Cb -0.02 0.38 0.39 0.00 -1.46 0.00 0.00 42.92 42.20 2af2 s ASP 101 CO -0.00 -0.11 1.48 -1.54 0.52 0.00 0.00 175.17 175.53 2af2 n SER 102 N 2.79 5.89 0.00 -0.34 3.41 -1.26 -2.37 113.62 121.73 2af2 n SER 102 Ca -0.14 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.71 2af2 n SER 102 Cb 0.58 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 2af2 n SER 102 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2af2 n VAL 103 N -0.48 0.00 -2.15 -3.33 0.31 -1.26 -4.91 118.33 106.51 2af2 n VAL 103 Ca 0.45 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.46 2af2 n VAL 103 Cb 0.47 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 33.27 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2af2 s ILE 104 N -1.30 4.24 0.24 2.52 -0.00 -1.26 -5.00 121.20 120.63 2af2 s ILE 104 Ca 0.00 1.01 -0.18 0.00 -0.00 0.00 0.00 60.65 61.47 2af2 s ILE 104 Cb 0.00 -3.58 0.02 0.00 -0.00 0.00 0.00 42.46 38.90 2af2 s ILE 104 CO 0.00 -0.68 0.60 -0.94 -0.00 0.00 0.00 174.94 173.92 2af2 s SER 105 N -3.13 -0.25 -0.95 4.36 1.04 -1.26 -4.27 113.70 109.25 2af2 s SER 105 Ca 0.60 -0.59 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 2af2 s SER 105 Cb -0.13 0.65 -0.13 0.00 0.10 0.00 0.00 66.02 66.51 2af2 s SER 105 CO 0.37 -1.19 2.84 0.18 0.98 0.00 0.00 173.24 176.43 2af2 n LEU 106 N -0.40 6.55 -1.71 2.42 4.32 -1.26 -3.82 117.00 123.10 2af2 n LEU 106 Ca -0.06 -3.54 -0.14 0.00 -0.02 0.00 0.00 56.01 52.25 2af2 n LEU 106 Cb 0.61 -1.35 0.08 0.00 -1.62 0.00 0.00 43.42 41.14 2af2 n LEU 106 CO 0.17 1.53 1.00 -1.54 -1.22 0.00 0.00 177.39 177.33 2af2 n SER 107 N 3.40 4.33 0.00 -1.43 3.41 -1.26 -5.00 113.62 117.07 2af2 n SER 107 Ca 0.58 -2.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.29 2af2 n SER 107 Cb 0.39 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2af2 n GLY 108 N -0.15 1.02 0.10 5.00 0.00 -1.26 -4.68 105.19 105.22 2af2 n GLY 108 Ca 0.31 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 0.39 0.99 -0.03 1.61 5.75 -1.26 -3.20 116.55 120.80 2af2 n ASP 109 Ca 0.00 0.22 0.14 0.00 -0.01 0.00 0.00 54.79 55.13 2af2 n ASP 109 Cb 0.00 0.02 0.53 0.00 -1.03 0.00 0.00 41.12 40.64 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2af2 n HIS 110 N -3.07 0.00 -0.12 2.11 8.25 -1.26 -4.27 115.22 116.86 2af2 n HIS 110 Ca -0.27 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.03 2af2 n HIS 110 Cb 1.07 -0.33 -0.11 0.00 1.12 0.00 0.00 29.99 31.75 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 -1.33 2.17 0.00 0.41 7.64 -1.26 -4.99 113.62 116.27 2af2 n SER 111 Ca 0.09 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2af2 n SER 111 Cb 0.31 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -3.23 0.00 -1.86 0.44 -5.35 -1.25 -4.43 119.36 103.68 2af2 n ILE 112 Ca -0.41 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 61.66 2af2 n ILE 112 Cb 0.93 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 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 -1.27 2.20 0.00 7.28 -1.09 -1.19 -1.37 121.20 125.75 2af2 s ILE 113 Ca 0.00 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2af2 s ILE 113 Cb 0.00 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2af2 s ILE 113 CO 0.00 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 2af2 n GLY 114 N 0.57 0.27 4.03 6.18 0.00 0.27 -3.99 105.19 112.51 2af2 n GLY 114 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.97 2.37 0.08 1.61 0.52 -0.47 -1.58 118.95 120.51 2af2 s ARG 115 Ca 0.00 -1.60 0.10 0.00 -0.52 0.00 0.00 55.73 53.71 2af2 s ARG 115 Cb 0.00 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 2af2 s ARG 115 CO 0.00 -0.78 -0.26 0.99 0.02 0.00 0.00 175.30 175.27 2af2 s THR 116 N -2.63 2.09 0.02 0.02 2.01 -0.83 -0.85 115.64 115.48 2af2 s THR 116 Ca 0.61 -1.50 0.06 0.00 0.31 0.00 0.00 61.69 61.16 2af2 s THR 116 Cb -0.06 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2af2 s THR 116 CO 0.38 0.22 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.14 2af2 s LEU 117 N -1.56 2.12 -0.13 4.42 1.98 -0.91 -1.01 118.68 123.59 2af2 s LEU 117 Ca 0.12 -0.42 -0.00 0.00 -2.89 0.00 0.00 54.13 50.94 2af2 s LEU 117 Cb -0.10 -0.81 -0.01 0.00 0.66 0.00 0.00 46.19 45.93 2af2 s LEU 117 CO 0.04 0.14 -0.13 0.68 -1.89 0.00 0.00 176.35 175.18 2af2 s VAL 118 N -0.66 3.02 -0.27 1.68 -7.23 -1.03 -2.19 120.40 113.72 2af2 s VAL 118 Ca 0.05 -0.67 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 2af2 s VAL 118 Cb -0.08 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2af2 s VAL 118 CO 0.01 0.52 0.25 0.54 -0.31 0.00 0.00 175.10 176.11 2af2 s VAL 119 N 0.40 5.27 0.19 1.32 0.11 -0.47 -2.56 120.40 124.66 2af2 s VAL 119 Ca -0.10 0.30 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2af2 s VAL 119 Cb -0.16 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2af2 s VAL 119 CO 0.05 0.23 0.38 -1.00 -3.33 0.00 0.00 175.10 171.43 2af2 s HIS 120 N 1.79 3.48 0.03 1.54 3.76 0.29 -2.68 115.29 123.49 2af2 s HIS 120 Ca 0.10 0.36 -0.23 0.00 -0.15 0.00 0.00 55.06 55.14 2af2 s HIS 120 Cb -0.16 -1.87 -0.13 0.00 1.11 0.00 0.00 32.58 31.54 2af2 s HIS 120 CO 0.10 0.40 1.19 1.49 -0.85 0.00 0.00 174.74 177.07 2af2 h GLU 121 N 2.17 -0.81 -6.93 1.40 4.22 -0.70 -1.14 114.58 112.79 2af2 h GLU 121 Ca -0.48 0.06 -0.47 0.00 0.08 0.00 0.00 59.36 58.55 2af2 h GLU 121 Cb 1.19 0.19 0.06 0.00 0.50 0.00 0.00 28.75 30.68 2af2 h GLU 121 CO 0.69 -0.54 0.02 0.15 -2.18 0.00 0.00 179.01 177.15 2af2 s LYS 122 N -4.59 2.01 0.55 1.92 3.01 -1.26 -3.98 119.74 117.40 2af2 s LYS 122 Ca -0.12 -1.20 -0.22 0.00 -1.01 0.00 0.00 55.97 53.42 2af2 s LYS 122 Cb 0.01 -2.45 -0.05 0.00 -1.01 0.00 0.00 37.83 34.33 2af2 s LYS 122 CO 0.37 -1.15 1.37 0.00 0.51 0.00 0.00 175.35 176.45 2af2 s ALA 123 N -2.94 2.83 -0.41 5.17 0.00 -1.24 -0.71 121.76 124.46 2af2 s ALA 123 Ca 0.63 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.66 2af2 s ALA 123 Cb -0.06 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.50 2af2 s ALA 123 CO 0.42 -1.39 1.13 0.34 0.00 0.00 0.00 175.76 176.25 2af2 s ASP 124 N -0.92 6.74 0.00 0.00 -1.08 -1.26 -3.95 116.67 116.20 2af2 s ASP 124 Ca 0.71 0.74 0.28 0.00 -0.52 0.00 0.00 52.55 53.76 2af2 s ASP 124 Cb -0.41 -2.55 1.29 0.00 -1.46 0.00 0.00 42.92 39.79 2af2 s ASP 124 CO 0.48 -1.11 1.92 -0.67 0.52 0.00 0.00 175.17 176.32 2af2 n ASP 125 N 7.48 0.00 -2.45 -0.34 2.03 0.59 -4.77 116.55 119.09 2af2 n ASP 125 Ca 0.12 0.21 -0.02 0.00 0.52 0.00 0.00 54.79 55.62 2af2 n ASP 125 Cb 0.48 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 2af2 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2af2 n LEU 126 N -1.40 -2.48 0.00 -2.67 7.99 -1.26 -3.66 117.00 113.52 2af2 n LEU 126 Ca 0.10 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 2af2 n LEU 126 Cb 0.28 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 2af2 n LEU 126 CO 0.24 -0.93 0.00 0.61 -1.51 0.00 0.00 177.39 175.79 2af2 n GLY 127 N 0.98 1.86 2.99 -0.72 0.00 -0.17 -4.35 105.19 105.78 2af2 n GLY 127 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 0.41 0.00 1.61 2.20 -1.24 -2.21 119.74 120.51 2af2 s LYS 128 Ca 0.00 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 2af2 s LYS 128 Cb 0.00 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.17 2af2 s LYS 128 CO 0.00 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 2af2 n GLY 129 N 5.38 -0.10 0.20 5.54 0.00 -1.26 -5.00 105.19 109.96 2af2 n GLY 129 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 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 3.62 -0.41 3.65 -0.02 0.00 -1.26 -5.13 105.19 105.63 2af2 n GLY 130 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2af2 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 131 N -0.73 3.73 -0.06 1.61 0.01 -1.26 -5.05 114.94 113.19 2af2 s ASN 131 Ca 0.03 -1.50 -0.25 0.00 -0.71 0.00 0.00 52.86 50.43 2af2 s ASN 131 Cb 0.02 0.04 -0.23 0.00 0.41 0.00 0.00 41.25 41.49 2af2 s ASN 131 CO 0.00 -0.65 1.03 -0.08 -1.51 0.00 0.00 177.10 175.89 2af2 h GLU 132 N 1.66 0.13 0.00 -0.60 4.81 -2.00 -3.30 114.58 115.28 2af2 h GLU 132 Ca -0.43 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2af2 h GLU 132 Cb 1.27 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2af2 h GLU 132 CO 0.75 0.88 0.00 0.93 -0.73 0.00 0.00 179.01 180.84 2af2 h GLU 133 N -0.56 0.00 -1.00 1.92 4.39 -1.96 -2.41 114.58 114.96 2af2 h GLU 133 Ca -0.02 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.87 2af2 h GLU 133 Cb 0.94 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.49 2af2 h GLU 133 CO 0.04 0.00 0.61 0.77 -1.16 0.00 0.00 179.01 179.27 2af2 h SER 134 N 0.00 0.74 0.20 1.42 0.02 -1.82 0.29 113.55 114.40 2af2 h SER 134 Ca 0.00 0.09 -0.34 0.00 -0.84 0.00 0.00 61.79 60.70 2af2 h SER 134 Cb 0.08 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 2af2 h SER 134 CO 0.00 0.27 -2.09 1.07 -1.14 0.00 0.00 176.83 174.94 2af2 n THR 135 N -4.73 1.55 0.12 -2.27 5.66 -0.93 -1.00 114.28 112.68 2af2 n THR 135 Ca 0.23 -0.76 -0.02 0.00 -3.05 0.00 0.00 64.05 60.45 2af2 n THR 135 Cb 0.59 -1.03 0.09 0.00 -1.55 0.00 0.00 70.33 68.43 2af2 n THR 135 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2af2 h LYS 136 N 0.01 0.00 0.00 1.09 1.57 -1.25 -2.40 116.57 115.59 2af2 h LYS 136 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2af2 h LYS 136 Cb 2.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.39 2af2 h LYS 136 CO 0.04 0.70 -0.16 0.25 -0.57 0.00 0.00 179.45 179.72 2af2 n THR 137 N -3.59 0.00 -0.08 -0.16 -2.24 -0.30 -4.93 114.28 102.98 2af2 n THR 137 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2af2 n THR 137 Cb 0.71 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.56 0.88 4.26 3.38 0.00 -0.06 -4.59 105.19 109.62 2af2 n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.85 -0.50 -0.30 115.26 118.92 2af2 n ASN 139 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2af2 n ASN 139 Cb 0.00 -1.88 0.00 0.00 1.24 0.00 0.00 39.78 39.14 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2af2 n ALA 140 N 0.96 1.21 -0.06 5.20 0.00 -1.25 -4.88 120.51 121.68 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 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.15 2.29 3.63 0.00 0.00 -1.26 -4.02 105.19 104.68 2af2 n GLY 141 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.00 -0.14 -0.04 1.61 0.01 -1.26 -5.05 113.70 104.83 2af2 s SER 142 Ca 0.00 -0.16 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 2af2 s SER 142 Cb 0.00 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 2af2 s SER 142 CO 0.00 -0.47 0.16 0.00 0.41 0.00 0.00 173.24 173.34 2af2 s ARG 143 N -2.72 3.41 0.14 12.44 3.03 -1.26 -0.17 118.95 133.82 2af2 s ARG 143 Ca 0.12 -0.28 0.21 0.00 2.03 0.00 0.00 55.73 57.80 2af2 s ARG 143 Cb 0.01 -3.10 -0.06 0.00 -1.03 0.00 0.00 34.95 30.77 2af2 s ARG 143 CO -0.03 0.70 0.94 1.47 -1.13 0.00 0.00 175.30 177.25 2af2 n LEU 144 N 1.25 0.82 -3.73 -1.89 -0.00 -1.09 -4.90 117.00 107.45 2af2 n LEU 144 Ca -0.13 0.33 -0.13 0.00 -0.00 0.00 0.00 56.01 56.07 2af2 n LEU 144 Cb 0.53 -0.01 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 2af2 n LEU 144 CO 0.40 -0.07 0.08 0.00 -0.00 0.00 0.00 177.39 177.80 2af2 s ALA 145 N -3.22 -0.98 0.03 1.47 0.00 -1.24 -4.20 121.76 113.62 2af2 s ALA 145 Ca -0.02 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.92 2af2 s ALA 145 Cb 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2af2 s ALA 145 CO 0.80 -0.21 -0.06 0.00 0.00 0.00 0.00 175.76 176.29 2af2 s GLY 147 N -1.23 -0.58 -0.03 0.00 0.00 -0.93 -1.90 107.32 102.65 2af2 s GLY 147 Ca -0.09 0.50 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 2af2 s GLY 147 CO 0.00 0.16 0.06 0.14 0.00 0.00 0.00 173.10 173.47 2af2 s VAL 148 N -3.70 4.67 -0.82 1.40 1.01 -1.21 -2.13 120.40 119.62 2af2 s VAL 148 Ca 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 2af2 s VAL 148 Cb -0.01 -3.09 0.07 0.00 0.00 0.00 0.00 36.38 33.35 2af2 s VAL 148 CO -0.12 0.43 1.18 -0.63 0.00 0.00 0.00 175.10 175.96 2af2 s ILE 149 N -1.11 4.20 0.73 2.22 1.01 -0.03 -3.28 121.20 124.95 2af2 s ILE 149 Ca 0.20 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 2af2 s ILE 149 Cb -0.12 -4.84 0.13 0.00 0.01 0.00 0.00 42.46 37.64 2af2 s ILE 149 CO 0.10 -1.66 1.00 -0.83 0.00 0.00 0.00 174.94 173.55 2af2 s GLY 150 N 3.97 1.76 0.12 6.18 0.00 -0.98 -0.57 107.32 117.80 2af2 s GLY 150 Ca 0.33 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.37 2af2 s GLY 150 CO 0.02 -1.15 -0.10 -0.26 0.00 0.00 0.00 173.10 171.62 2af2 s ILE 151 N -3.16 1.00 0.00 0.90 -5.25 -1.26 -0.39 121.20 113.04 2af2 s ILE 151 Ca 0.66 -1.87 0.00 0.00 -0.99 0.00 0.00 60.65 58.46 2af2 s ILE 151 Cb -0.05 -1.62 0.00 0.00 2.95 0.00 0.00 42.46 43.74 2af2 s ILE 151 CO 0.44 -0.69 0.00 0.00 -1.79 0.00 0.00 174.94 172.91 2af2 n ALA 152 N 0.14 0.18 1.32 2.27 0.00 -1.26 -4.87 120.51 118.30 2af2 n ALA 152 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 152 Cb 0.59 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.42 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44