#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 4.61 0.17 0.00 2.01 -0.53 -4.90 115.64 117.01 2af2 s THR 2 Ca 0.00 -0.92 -0.26 0.00 0.31 0.00 0.00 61.69 60.81 2af2 s THR 2 Cb 0.00 -4.65 -0.08 0.00 0.01 0.00 0.00 72.50 67.78 2af2 s THR 2 CO 0.00 -1.36 0.82 -1.59 -0.69 0.00 0.00 174.62 171.79 2af2 s LYS 3 N 3.19 4.63 0.01 4.92 -2.85 -1.01 -3.58 119.74 125.06 2af2 s LYS 3 Ca 0.22 1.23 -0.04 0.00 -1.00 0.00 0.00 55.97 56.38 2af2 s LYS 3 Cb -0.16 -3.28 -0.04 0.00 -2.06 0.00 0.00 37.83 32.29 2af2 s LYS 3 CO 0.03 0.53 0.22 0.00 0.10 0.00 0.00 175.35 176.23 2af2 s ALA 4 N -1.05 3.92 -0.14 0.59 0.00 -0.30 -2.22 121.76 122.56 2af2 s ALA 4 Ca 0.37 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 2af2 s ALA 4 Cb -0.24 -1.95 0.05 0.00 0.00 0.00 0.00 23.12 20.99 2af2 s ALA 4 CO 0.27 0.72 0.52 0.08 0.00 0.00 0.00 175.76 177.36 2af2 s VAL 5 N -1.34 0.01 -0.32 0.00 1.01 -0.42 -0.48 120.40 118.86 2af2 s VAL 5 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 2af2 s VAL 5 Cb -0.13 -0.77 0.12 0.00 0.00 0.00 0.00 36.38 35.60 2af2 s VAL 5 CO 0.19 -0.04 0.18 0.00 0.00 0.00 0.00 175.10 175.43 2af2 s ALA 6 N -0.26 0.61 -0.90 5.51 0.00 -1.18 -2.36 121.76 123.19 2af2 s ALA 6 Ca -0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2af2 s ALA 6 Cb -0.03 -1.53 0.01 0.00 0.00 0.00 0.00 23.12 21.57 2af2 s ALA 6 CO 0.03 -1.86 1.60 0.14 0.00 0.00 0.00 175.76 175.67 2af2 s VAL 7 N 1.69 3.70 0.24 0.00 -7.23 -1.26 -3.72 120.40 113.81 2af2 s VAL 7 Ca 0.13 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 59.64 2af2 s VAL 7 Cb -0.19 -4.63 -0.09 0.00 0.56 0.00 0.00 36.38 32.03 2af2 s VAL 7 CO -0.20 -1.55 1.04 -0.76 -0.31 0.00 0.00 175.10 173.32 2af2 s LEU 8 N 6.93 4.57 0.36 1.32 1.43 0.41 -4.64 118.68 129.05 2af2 s LEU 8 Ca 0.53 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.64 2af2 s LEU 8 Cb -0.04 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.59 2af2 s LEU 8 CO -0.00 -0.06 0.66 -0.75 0.23 0.00 0.00 176.35 176.43 2af2 s LYS 9 N -1.11 2.06 0.00 1.70 2.20 -0.10 -0.87 119.74 123.62 2af2 s LYS 9 Ca 0.44 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 2af2 s LYS 9 Cb -0.29 0.55 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2af2 s LYS 9 CO 0.37 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 2af2 n GLY 10 N -0.53 1.63 2.56 5.54 0.00 -1.25 -1.75 105.19 111.37 2af2 n GLY 10 Ca -0.05 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 5.94 0.00 1.61 -0.08 -1.26 -4.91 116.55 117.85 2af2 n ASP 11 Ca 0.00 -2.72 0.00 0.00 -1.51 0.00 0.00 54.79 50.56 2af2 n ASP 11 Cb 0.00 -1.61 0.00 0.00 2.34 0.00 0.00 41.12 41.85 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 3.88 0.81 0.11 0.27 0.00 -1.26 -0.62 105.19 108.38 2af2 n GLY 12 Ca 0.63 0.77 0.15 0.00 0.00 0.00 0.00 46.02 47.57 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 0.87 -3.58 1.61 -0.04 -1.26 -4.85 135.00 127.75 2af2 n PRO 13 Ca 0.00 -0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 62.86 2af2 n PRO 13 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2af2 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2af2 s VAL 14 N -2.28 5.20 0.10 0.52 1.01 0.21 -4.46 120.40 120.69 2af2 s VAL 14 Ca 0.36 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 2af2 s VAL 14 Cb 0.21 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 2af2 s VAL 14 CO 0.42 0.54 0.14 0.00 0.00 0.00 0.00 175.10 176.20 2af2 s GLN 15 N -0.66 0.87 -0.24 2.72 0.00 -0.90 -3.92 119.66 117.54 2af2 s GLN 15 Ca 0.20 -1.13 -0.02 0.00 -0.00 0.00 0.00 55.36 54.41 2af2 s GLN 15 Cb -0.15 0.31 0.08 0.00 0.00 0.00 0.00 33.01 33.24 2af2 s GLN 15 CO 0.09 -0.26 0.06 0.20 0.00 0.00 0.00 175.29 175.38 2af2 s GLY 16 N -2.92 0.77 -0.30 2.60 0.00 -0.05 -0.77 107.32 106.65 2af2 s GLY 16 Ca 0.11 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.63 2af2 s GLY 16 CO -0.07 1.56 0.63 -1.50 0.00 0.00 0.00 173.10 173.72 2af2 s ILE 17 N 1.83 4.94 -0.22 0.90 -1.16 -0.77 -0.45 121.20 126.27 2af2 s ILE 17 Ca 0.03 0.87 -0.03 0.00 -0.51 0.00 0.00 60.65 61.01 2af2 s ILE 17 Cb -0.17 -4.00 0.07 0.00 0.61 0.00 0.00 42.46 38.97 2af2 s ILE 17 CO -0.16 -0.14 0.07 0.27 -2.81 0.00 0.00 174.94 172.17 2af2 s ILE 18 N 2.61 0.39 -0.12 2.00 -5.25 -1.24 -0.27 121.20 119.32 2af2 s ILE 18 Ca 0.25 -0.65 -0.07 0.00 -0.99 0.00 0.00 60.65 59.19 2af2 s ILE 18 Cb -0.15 -1.05 -0.04 0.00 2.95 0.00 0.00 42.46 44.17 2af2 s ILE 18 CO 0.12 -0.37 0.14 0.20 -1.79 0.00 0.00 174.94 173.23 2af2 s ASN 19 N 1.90 6.35 -0.05 4.36 0.01 -0.10 -3.07 114.94 124.33 2af2 s ASN 19 Ca 0.03 0.45 0.06 0.00 -0.71 0.00 0.00 52.86 52.69 2af2 s ASN 19 Cb -0.17 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 2af2 s ASN 19 CO -0.15 0.40 -0.25 -0.36 -1.51 0.00 0.00 177.10 175.24 2af2 s PHE 20 N -0.98 2.38 -0.25 2.20 0.08 0.37 -1.85 117.98 119.92 2af2 s PHE 20 Ca 0.15 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 2af2 s PHE 20 Cb -0.12 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.80 2af2 s PHE 20 CO 0.04 -0.20 -0.06 -2.00 -0.10 0.00 0.00 175.22 172.90 2af2 s GLU 21 N -0.17 2.81 -0.07 0.44 2.56 0.25 -1.15 118.70 123.36 2af2 s GLU 21 Ca -0.03 -1.00 0.03 0.00 0.00 0.00 0.00 54.97 53.98 2af2 s GLU 21 Cb -0.13 -3.00 0.01 0.00 2.00 0.00 0.00 34.13 33.00 2af2 s GLU 21 CO 0.03 -0.41 -0.16 -1.14 -0.56 0.00 0.00 175.26 173.02 2af2 s GLN 22 N 1.32 2.08 -0.00 4.30 2.00 -1.23 -2.51 119.66 125.61 2af2 s GLN 22 Ca -0.00 -0.57 0.21 0.00 -2.00 0.00 0.00 55.36 53.00 2af2 s GLN 22 Cb -0.17 -1.67 -0.20 0.00 0.80 0.00 0.00 33.01 31.77 2af2 s GLN 22 CO -0.04 0.11 0.86 0.36 -0.50 0.00 0.00 175.29 176.08 2af2 n LYS 23 N 3.62 0.11 -2.05 1.67 0.00 -1.26 -1.45 118.16 118.81 2af2 n LYS 23 Ca -0.21 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.31 58.04 2af2 n LYS 23 Cb 0.52 -1.51 -0.01 0.00 -0.00 0.00 0.00 35.03 34.04 2af2 n LYS 23 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2af2 n GLU 24 N -1.64 0.15 0.12 -1.58 0.00 -1.26 -4.97 120.64 111.46 2af2 n GLU 24 Ca 0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 57.16 56.51 2af2 n GLU 24 Cb 0.37 0.57 -0.06 0.00 0.00 0.00 0.00 31.44 32.32 2af2 n GLU 24 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2af2 h SER 25 N 0.42 -0.32 0.00 4.31 0.02 -1.94 -3.43 113.55 112.60 2af2 h SER 25 Ca -0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2af2 h SER 25 Cb 0.25 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2af2 h SER 25 CO 0.08 0.17 0.00 0.59 -1.14 0.00 0.00 176.83 176.53 2af2 n ASN 26 N -5.03 0.57 -4.52 3.07 3.02 -1.26 -3.36 115.26 107.75 2af2 n ASN 26 Ca -0.07 -0.82 -0.32 0.00 -0.03 0.00 0.00 54.58 53.35 2af2 n ASN 26 Cb 0.24 0.26 0.16 0.00 -0.61 0.00 0.00 39.78 39.83 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 0.26 -1.34 3.77 7.41 0.00 -1.26 -4.86 105.19 109.17 2af2 n GLY 27 Ca 0.00 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.13 3.86 -0.16 1.61 0.04 -1.26 -4.86 135.00 130.10 2af2 s PRO 28 Ca 0.62 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.65 2af2 s PRO 28 Cb -0.22 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 2af2 s PRO 28 CO 0.63 -0.54 -0.01 0.08 0.04 0.00 0.00 177.00 177.20 2af2 s VAL 29 N -1.34 4.13 -0.09 -0.36 1.01 -0.71 -4.74 120.40 118.29 2af2 s VAL 29 Ca 0.60 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.01 2af2 s VAL 29 Cb -0.35 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2af2 s VAL 29 CO 0.44 0.48 1.02 -0.54 0.00 0.00 0.00 175.10 176.51 2af2 s LYS 30 N 0.37 4.43 -0.13 2.72 1.02 -1.04 -2.81 119.74 124.29 2af2 s LYS 30 Ca -0.02 1.42 -0.01 0.00 0.02 0.00 0.00 55.97 57.37 2af2 s LYS 30 Cb -0.14 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 2af2 s LYS 30 CO 0.02 -0.31 -0.10 0.08 -0.92 0.00 0.00 175.35 174.13 2af2 s VAL 31 N 1.95 3.33 0.21 3.17 1.01 0.11 -0.58 120.40 129.59 2af2 s VAL 31 Ca 0.49 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 2af2 s VAL 31 Cb -0.19 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.80 2af2 s VAL 31 CO 0.19 0.52 0.53 -1.66 0.00 0.00 0.00 175.10 174.68 2af2 s TRP 32 N 0.27 -0.06 -5.00 5.22 -2.14 -0.77 -0.24 118.94 116.22 2af2 s TRP 32 Ca -0.07 -0.30 0.00 0.00 2.66 0.00 0.00 56.10 58.39 2af2 s TRP 32 Cb -0.15 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 30.61 2af2 s TRP 32 CO 0.05 -0.95 0.00 0.41 -2.66 0.00 0.00 176.95 173.79 2af2 n GLY 33 N -0.35 0.38 3.18 3.67 0.00 -0.64 -0.93 105.19 110.49 2af2 n GLY 33 Ca -0.08 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.34 -0.42 1.61 1.04 0.63 -0.55 113.70 111.67 2af2 s SER 34 Ca 0.00 0.75 -0.11 0.00 0.48 0.00 0.00 55.95 57.07 2af2 s SER 34 Cb 0.00 0.69 0.06 0.00 0.10 0.00 0.00 66.02 66.87 2af2 s SER 34 CO 0.00 -0.19 0.27 -0.63 0.98 0.00 0.00 173.24 173.67 2af2 s ILE 35 N 1.54 4.56 -0.09 -1.02 1.09 0.08 -1.84 121.20 125.52 2af2 s ILE 35 Ca -0.08 -1.16 0.03 0.00 -1.10 0.00 0.00 60.65 58.35 2af2 s ILE 35 Cb -0.10 -3.70 -0.01 0.00 -1.06 0.00 0.00 42.46 37.59 2af2 s ILE 35 CO -0.11 -0.44 -0.19 -0.75 -0.10 0.00 0.00 174.94 173.35 2af2 s LYS 36 N 1.51 2.88 0.00 2.79 2.20 0.05 -0.45 119.74 128.73 2af2 s LYS 36 Ca 0.03 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2af2 s LYS 36 Cb -0.22 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 2af2 s LYS 36 CO 0.05 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.79 2af2 n GLY 37 N 3.10 0.68 3.86 5.54 0.00 -0.30 -2.12 105.19 115.95 2af2 n GLY 37 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2af2 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 38 N 0.00 2.29 0.20 0.99 1.43 -0.26 -4.68 118.68 118.64 2af2 s LEU 38 Ca 0.00 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 2af2 s LEU 38 Cb 0.00 -2.71 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 2af2 s LEU 38 CO 0.00 -2.68 0.52 0.28 0.23 0.00 0.00 176.35 174.70 2af2 s THR 39 N -3.60 4.95 -1.24 5.49 -1.32 -1.26 -4.07 115.64 114.58 2af2 s THR 39 Ca 0.69 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 61.67 2af2 s THR 39 Cb -0.08 -3.64 0.00 0.00 -1.51 0.00 0.00 72.50 67.27 2af2 s THR 39 CO 0.52 0.02 0.45 -1.84 -2.21 0.00 0.00 174.62 171.56 2af2 n GLU 40 N 0.13 0.00 -0.77 7.08 0.00 -1.25 -4.38 120.64 121.45 2af2 n GLU 40 Ca -0.01 0.07 -0.29 0.00 0.00 0.00 0.00 57.16 56.92 2af2 n GLU 40 Cb 0.52 -1.53 0.25 0.00 0.00 0.00 0.00 31.44 30.68 2af2 n GLU 40 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2af2 s GLY 41 N -1.89 1.52 0.06 -1.84 0.00 -1.26 -4.22 107.32 99.69 2af2 s GLY 41 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 44.72 43.92 2af2 s GLY 41 CO 0.00 0.23 0.61 0.48 0.00 0.00 0.00 173.10 174.42 2af2 s LEU 42 N -7.18 4.50 0.06 0.66 2.34 -1.26 -2.61 118.68 115.19 2af2 s LEU 42 Ca 0.69 1.29 0.05 0.00 0.06 0.00 0.00 54.13 56.21 2af2 s LEU 42 Cb -0.17 -2.97 -0.03 0.00 -0.56 0.00 0.00 46.19 42.47 2af2 s LEU 42 CO 0.59 0.20 -0.14 -1.00 -1.06 0.00 0.00 176.35 174.95 2af2 s HIS 43 N -0.78 1.19 -0.10 3.48 3.76 0.11 -1.21 115.29 121.73 2af2 s HIS 43 Ca 0.31 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 2af2 s HIS 43 Cb -0.20 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.80 2af2 s HIS 43 CO 0.19 0.05 -0.10 0.20 -0.85 0.00 0.00 174.74 174.23 2af2 s GLY 44 N -1.62 1.62 -0.03 -2.22 0.00 -0.79 0.22 107.32 104.50 2af2 s GLY 44 Ca -0.02 -0.90 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2af2 s GLY 44 CO 0.02 -0.43 -0.04 -0.11 0.00 0.00 0.00 173.10 172.54 2af2 s PHE 45 N -0.22 0.55 -0.06 1.90 -0.71 -1.25 0.18 117.98 118.36 2af2 s PHE 45 Ca 0.02 -0.11 -0.15 0.00 -1.04 0.00 0.00 56.93 55.65 2af2 s PHE 45 Cb -0.13 -0.48 0.03 0.00 -1.21 0.00 0.00 43.02 41.23 2af2 s PHE 45 CO 0.03 -0.11 0.35 -3.38 -1.34 0.00 0.00 175.22 170.76 2af2 s HIS 46 N 0.58 -0.28 -0.28 3.49 -3.43 -1.06 -3.01 115.29 111.29 2af2 s HIS 46 Ca -0.07 0.56 -0.24 0.00 -0.80 0.00 0.00 55.06 54.52 2af2 s HIS 46 Cb -0.10 0.13 -0.00 0.00 -1.43 0.00 0.00 32.58 31.17 2af2 s HIS 46 CO -0.00 -0.33 0.79 0.54 -2.00 0.00 0.00 174.74 173.73 2af2 s VAL 47 N -0.78 4.82 0.72 -5.38 0.11 0.98 -2.23 120.40 118.65 2af2 s VAL 47 Ca -0.09 1.31 -0.11 0.00 -2.93 0.00 0.00 61.98 60.16 2af2 s VAL 47 Cb -0.04 -4.12 0.02 0.00 -1.53 0.00 0.00 36.38 30.71 2af2 s VAL 47 CO 0.03 -0.17 1.08 -1.00 -3.33 0.00 0.00 175.10 171.71 2af2 s HIS 48 N 2.88 3.20 0.26 1.54 3.76 0.61 -4.43 115.29 123.11 2af2 s HIS 48 Ca 0.33 1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 56.11 2af2 s HIS 48 Cb -0.15 -2.99 -0.11 0.00 1.11 0.00 0.00 32.58 30.44 2af2 s HIS 48 CO 0.10 -1.27 1.57 -2.00 -0.85 0.00 0.00 174.74 172.29 2af2 s GLU 49 N -5.22 4.17 0.26 1.40 2.12 0.22 -3.10 118.70 118.55 2af2 s GLU 49 Ca 0.58 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.40 2af2 s GLU 49 Cb -0.12 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.20 2af2 s GLU 49 CO 0.53 -0.59 0.00 1.19 -0.54 0.00 0.00 175.26 175.86 2af2 n PHE 50 N 2.62 -1.76 0.19 5.30 3.72 -1.26 -4.60 117.46 121.66 2af2 n PHE 50 Ca 0.09 0.95 0.02 0.00 -0.05 0.00 0.00 57.45 58.46 2af2 n PHE 50 Cb 0.38 -1.60 0.00 0.00 -0.94 0.00 0.00 39.48 37.32 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 -3.22 -0.44 2.02 1.37 0.00 -0.35 -2.68 105.19 101.88 2af2 n GLY 51 Ca -0.03 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 2af2 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 52 N -0.22 3.40 0.00 1.61 9.92 -1.26 -2.91 116.55 127.08 2af2 n ASP 52 Ca 0.02 -2.06 0.00 0.00 -0.53 0.00 0.00 54.79 52.22 2af2 n ASP 52 Cb 0.10 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2af2 n ASN 53 N 2.36 0.00 -0.50 -2.24 2.04 -1.26 -4.97 115.26 110.68 2af2 n ASN 53 Ca 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.33 2af2 n ASN 53 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 2af2 n ASN 53 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 2af2 n THR 54 N 0.00 0.00 -0.91 5.53 5.66 -1.15 -2.92 114.28 120.49 2af2 n THR 54 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 2af2 n THR 54 Cb 0.00 -0.00 0.07 0.00 -1.55 0.00 0.00 70.33 68.85 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 0.34 2.05 -0.57 1.79 0.00 -1.26 -4.59 120.51 118.26 2af2 n ALA 55 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2af2 n ALA 55 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.85 1.28 0.32 0.00 0.00 -1.15 -3.12 105.19 101.68 2af2 n GLY 56 Ca 0.08 -0.70 0.18 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.51 2.98 0.00 0.00 5.66 -1.18 -4.15 114.28 114.07 2af2 n THR 58 Ca -0.02 -2.09 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 2af2 n THR 58 Cb 0.16 -1.39 0.00 0.00 -1.55 0.00 0.00 70.33 67.54 2af2 n THR 58 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2af2 n SER 59 N 0.40 0.00 -4.96 1.09 7.64 -0.91 -4.86 113.62 112.02 2af2 n SER 59 Ca 0.37 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 60.03 2af2 n SER 59 Cb 0.58 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 s ALA 60 N 0.00 3.92 0.80 -0.43 0.00 0.49 -4.90 121.76 121.64 2af2 s ALA 60 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2af2 s ALA 60 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.35 2af2 s ALA 60 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2af2 n GLY 61 N -1.27 0.59 3.98 0.00 0.00 -1.26 -4.64 105.19 102.58 2af2 n GLY 61 Ca -0.08 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 2af2 n GLY 61 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2af2 s PRO 62 N 0.72 1.32 -1.20 1.61 0.04 -1.26 -4.65 135.00 131.58 2af2 s PRO 62 Ca 0.00 -0.95 -0.20 0.00 0.04 0.00 0.00 61.00 59.89 2af2 s PRO 62 Cb 0.00 -2.19 0.06 0.00 0.04 0.00 0.00 34.50 32.41 2af2 s PRO 62 CO 0.00 -1.77 1.64 -3.38 0.04 0.00 0.00 177.00 173.53 2af2 s HIS 63 N -3.37 2.68 1.05 0.56 -3.43 -1.26 -0.61 115.29 110.91 2af2 s HIS 63 Ca 0.69 -1.33 -0.17 0.00 -0.80 0.00 0.00 55.06 53.45 2af2 s HIS 63 Cb -0.04 -4.73 0.05 0.00 -1.43 0.00 0.00 32.58 26.43 2af2 s HIS 63 CO 0.47 -1.85 0.01 0.34 -2.00 0.00 0.00 174.74 171.71 2af2 n PHE 64 N 8.63 -1.60 -2.63 0.38 7.35 -1.26 -4.92 117.46 123.41 2af2 n PHE 64 Ca 0.43 0.19 -0.35 0.00 -0.76 0.00 0.00 57.45 56.96 2af2 n PHE 64 Cb 0.48 -1.62 0.00 0.00 0.35 0.00 0.00 39.48 38.69 2af2 n PHE 64 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2af2 n ASN 65 N -1.02 6.25 0.23 -2.13 3.02 -1.26 -4.64 115.26 115.71 2af2 n ASN 65 Ca 0.02 -3.71 0.07 0.00 -0.03 0.00 0.00 54.58 50.93 2af2 n ASN 65 Cb 0.60 -0.90 0.54 0.00 -0.61 0.00 0.00 39.78 39.41 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2af2 h PRO 66 N 3.52 0.00 -0.00 3.52 0.13 -1.96 0.19 132.00 137.40 2af2 h PRO 66 Ca 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.52 2af2 h PRO 66 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2af2 h PRO 66 CO 1.07 0.19 -0.05 1.28 -0.23 0.00 0.00 178.00 180.26 2af2 n LEU 67 N -4.14 0.22 -2.78 1.56 4.32 -1.26 -4.97 117.00 109.95 2af2 n LEU 67 Ca -0.02 0.14 -0.12 0.00 -0.02 0.00 0.00 56.01 55.99 2af2 n LEU 67 Cb 0.26 -0.22 0.06 0.00 -1.62 0.00 0.00 43.42 41.90 2af2 n LEU 67 CO 0.35 0.04 0.06 -0.24 -1.22 0.00 0.00 177.39 176.38 2af2 n SER 68 N -1.12 -3.43 -4.63 -1.43 2.88 0.66 -5.05 113.62 101.50 2af2 n SER 68 Ca 0.15 -0.48 -0.29 0.00 -1.33 0.00 0.00 58.87 56.91 2af2 n SER 68 Cb 0.25 -3.91 -0.09 0.00 -0.75 0.00 0.00 64.21 59.70 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 -4.59 2.04 0.71 -1.46 0.52 -1.26 -5.12 118.95 109.79 2af2 s ARG 69 Ca 0.14 -2.23 -0.11 0.00 -0.52 0.00 0.00 55.73 53.01 2af2 s ARG 69 Cb -0.02 -1.44 0.03 0.00 0.52 0.00 0.00 34.95 34.04 2af2 s ARG 69 CO 0.54 -0.23 1.09 0.15 0.02 0.00 0.00 175.30 176.86 2af2 s LYS 70 N -3.80 2.65 1.11 3.54 1.02 -1.26 -4.87 119.74 118.14 2af2 s LYS 70 Ca 0.21 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.33 2af2 s LYS 70 Cb 0.06 -2.05 0.25 0.00 -0.52 0.00 0.00 37.83 35.57 2af2 s LYS 70 CO 0.11 -1.12 1.12 -1.58 -0.92 0.00 0.00 175.35 172.97 2af2 s HIS 71 N -3.35 1.14 0.00 3.18 5.65 -1.24 -3.32 115.29 117.34 2af2 s HIS 71 Ca 0.58 0.63 0.00 0.00 0.25 0.00 0.00 55.06 56.52 2af2 s HIS 71 Cb -0.11 -3.46 0.00 0.00 -1.18 0.00 0.00 32.58 27.83 2af2 s HIS 71 CO 0.50 -3.43 0.00 0.41 -0.65 0.00 0.00 174.74 171.57 2af2 n GLY 72 N -1.31 0.33 0.00 1.59 0.00 -0.82 -4.09 105.19 100.89 2af2 n GLY 72 Ca 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 0.78 0.00 -0.02 0.00 0.79 -4.48 105.19 102.26 2af2 n GLY 73 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.00 1.61 -0.04 -1.26 -1.27 135.00 134.04 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 -0.89 0.63 -3.33 0.54 2.85 -1.26 -5.07 118.16 111.63 2af2 n LYS 75 Ca 0.00 -0.07 -0.03 0.00 -1.05 0.00 0.00 58.31 57.16 2af2 n LYS 75 Cb 0.00 -0.41 -0.05 0.00 -0.65 0.00 0.00 35.03 33.92 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2af2 s ASP 76 N -0.11 -0.62 0.00 -5.58 -1.08 -0.39 -4.93 116.67 103.96 2af2 s ASP 76 Ca 0.00 0.72 0.03 0.00 -0.52 0.00 0.00 52.55 52.78 2af2 s ASP 76 Cb 0.00 1.69 0.16 0.00 -1.46 0.00 0.00 42.92 43.31 2af2 s ASP 76 CO 0.00 -0.27 1.00 -0.62 0.52 0.00 0.00 175.17 175.81 2af2 n GLU 77 N 5.40 0.03 0.00 4.34 -0.58 -1.25 -0.15 120.64 128.43 2af2 n GLU 77 Ca -0.04 0.34 0.14 0.00 -0.42 0.00 0.00 57.16 57.18 2af2 n GLU 77 Cb 0.50 -1.50 0.64 0.00 -0.57 0.00 0.00 31.44 30.51 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 -1.38 0.10 0.00 3.49 -0.58 -1.26 -4.89 120.64 116.12 2af2 n GLU 78 Ca 0.01 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2af2 n GLU 78 Cb 0.03 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 2af2 n GLU 78 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2af2 n ARG 79 N -1.45 0.00 -0.68 3.49 0.00 -1.21 -4.21 116.66 112.61 2af2 n ARG 79 Ca 0.09 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.64 2af2 n ARG 79 Cb 0.32 0.00 0.21 0.00 -0.00 0.00 0.00 32.46 32.99 2af2 n ARG 79 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2af2 s HIS 80 N 0.00 1.55 -0.04 2.89 3.76 -1.25 -4.88 115.29 117.32 2af2 s HIS 80 Ca 0.00 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 2af2 s HIS 80 Cb 0.00 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.51 2af2 s HIS 80 CO 0.00 -3.38 0.80 1.33 -0.85 0.00 0.00 174.74 172.64 2af2 n VAL 81 N -4.59 0.78 -1.41 -0.90 0.24 -1.26 -2.78 118.33 108.40 2af2 n VAL 81 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 2af2 n VAL 81 Cb 0.54 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 32.02 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 0.57 -1.34 3.41 7.63 0.00 -1.26 -4.64 105.19 109.56 2af2 n GLY 82 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.38 0.60 1.61 1.01 -1.12 -0.01 116.67 124.15 2af2 s ASP 83 Ca 0.00 -0.53 -0.01 0.00 0.71 0.00 0.00 52.55 52.72 2af2 s ASP 83 Cb 0.00 -1.96 0.05 0.00 1.01 0.00 0.00 42.92 42.02 2af2 s ASP 83 CO 0.00 -0.17 0.85 -0.76 0.21 0.00 0.00 175.17 175.30 2af2 s LEU 84 N 1.58 3.13 0.00 1.23 1.02 -1.17 -4.92 118.68 119.56 2af2 s LEU 84 Ca 0.04 0.07 -0.04 0.00 0.02 0.00 0.00 54.13 54.22 2af2 s LEU 84 Cb -0.17 -2.84 0.05 0.00 0.02 0.00 0.00 46.19 43.25 2af2 s LEU 84 CO 0.05 -1.32 0.32 0.61 0.02 0.00 0.00 176.35 176.03 2af2 n GLY 85 N -2.53 -1.25 3.78 -3.19 0.00 -1.26 -4.70 105.19 96.04 2af2 n GLY 85 Ca 0.09 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.18 7.22 -0.05 1.61 2.20 -1.26 -3.78 114.94 118.70 2af2 s ASN 86 Ca 0.18 1.93 0.04 0.00 -0.94 0.00 0.00 52.86 54.07 2af2 s ASN 86 Cb -0.00 -2.59 -0.02 0.00 -2.00 0.00 0.00 41.25 36.63 2af2 s ASN 86 CO 0.13 -0.16 -0.15 0.54 -2.94 0.00 0.00 177.10 174.52 2af2 s VAL 87 N -1.56 3.00 -0.05 3.54 0.11 0.13 -4.92 120.40 120.66 2af2 s VAL 87 Ca 0.51 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2af2 s VAL 87 Cb -0.21 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 2af2 s VAL 87 CO 0.27 0.59 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.60 2af2 s THR 88 N -0.66 1.15 0.40 5.04 2.01 -1.26 0.07 115.64 122.38 2af2 s THR 88 Ca 0.10 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.58 2af2 s THR 88 Cb -0.11 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2af2 s THR 88 CO 0.01 0.35 0.60 0.00 -0.69 0.00 0.00 174.62 174.88 2af2 s ALA 89 N 0.31 3.81 0.74 7.40 0.00 -1.07 -4.33 121.76 128.61 2af2 s ALA 89 Ca -0.08 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2af2 s ALA 89 Cb -0.12 -2.06 0.07 0.00 0.00 0.00 0.00 23.12 21.00 2af2 s ALA 89 CO 0.02 -0.21 1.08 0.34 0.00 0.00 0.00 175.76 176.99 2af2 s ASP 90 N -4.15 4.72 0.56 0.00 2.15 -0.32 -4.40 116.67 115.24 2af2 s ASP 90 Ca 0.45 0.59 0.38 0.00 0.43 0.00 0.00 52.55 54.40 2af2 s ASP 90 Cb -0.10 -1.19 1.96 0.00 -0.30 0.00 0.00 42.92 43.29 2af2 s ASP 90 CO 0.36 -1.70 2.14 0.07 -0.17 0.00 0.00 175.17 175.88 2af2 h LYS 91 N -0.76 0.00 0.00 4.34 -0.00 -1.91 0.16 116.57 118.39 2af2 h LYS 91 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2af2 h LYS 91 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.55 2af2 h LYS 91 CO 0.62 0.00 0.00 -3.47 -0.00 0.00 0.00 179.45 176.60 2af2 n ASP 92 N -2.88 0.00 0.00 7.07 2.03 -1.26 -4.88 116.55 116.63 2af2 n ASP 92 Ca -0.02 -0.32 0.00 0.00 0.52 0.00 0.00 54.79 54.97 2af2 n ASP 92 Cb 0.11 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.42 0.67 3.63 0.27 0.00 0.55 -4.62 105.19 106.11 2af2 n GLY 93 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.63 5.15 -0.59 1.61 0.11 -1.25 -1.11 120.40 121.69 2af2 s VAL 94 Ca 0.00 0.70 -0.17 0.00 -2.93 0.00 0.00 61.98 59.58 2af2 s VAL 94 Cb 0.00 -3.74 0.13 0.00 -1.53 0.00 0.00 36.38 31.23 2af2 s VAL 94 CO 0.00 0.16 0.61 0.00 -3.33 0.00 0.00 175.10 172.54 2af2 s ALA 95 N 1.92 3.59 0.31 1.54 0.00 0.41 -1.17 121.76 128.36 2af2 s ALA 95 Ca 0.18 -2.49 -0.27 0.00 0.00 0.00 0.00 51.96 49.39 2af2 s ALA 95 Cb -0.15 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 2af2 s ALA 95 CO 0.09 -2.18 0.95 0.34 0.00 0.00 0.00 175.76 174.96 2af2 s ASP 96 N 3.51 7.37 -0.04 0.00 2.15 -1.26 -0.74 116.67 127.66 2af2 s ASP 96 Ca 0.08 1.86 -0.06 0.00 0.43 0.00 0.00 52.55 54.85 2af2 s ASP 96 Cb -0.26 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.79 2af2 s ASP 96 CO 0.03 -0.05 0.14 0.54 -0.17 0.00 0.00 175.17 175.67 2af2 s VAL 97 N -1.56 0.02 -0.23 1.11 0.11 0.29 -4.86 120.40 115.27 2af2 s VAL 97 Ca 0.49 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 2af2 s VAL 97 Cb -0.20 -0.28 0.12 0.00 -1.53 0.00 0.00 36.38 34.50 2af2 s VAL 97 CO 0.25 -0.11 0.34 -0.94 -3.33 0.00 0.00 175.10 171.31 2af2 s SER 98 N -0.33 0.50 0.07 3.54 1.04 -1.26 -1.63 113.70 115.63 2af2 s SER 98 Ca -0.04 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2af2 s SER 98 Cb -0.03 0.95 -0.04 0.00 0.10 0.00 0.00 66.02 67.00 2af2 s SER 98 CO 0.01 -0.31 -0.05 -0.63 0.98 0.00 0.00 173.24 173.24 2af2 s ILE 99 N 2.50 0.42 -0.04 -1.02 1.01 0.66 -5.01 121.20 119.71 2af2 s ILE 99 Ca 0.11 -1.76 -0.07 0.00 0.00 0.00 0.00 60.65 58.93 2af2 s ILE 99 Cb -0.16 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.88 2af2 s ILE 99 CO -0.15 -0.88 0.18 -0.70 0.00 0.00 0.00 174.94 173.39 2af2 s GLU 100 N -3.58 0.35 -0.01 2.79 2.12 -1.26 0.03 118.70 119.14 2af2 s GLU 100 Ca 0.06 -0.01 -0.08 0.00 0.36 0.00 0.00 54.97 55.31 2af2 s GLU 100 Cb 0.05 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.60 2af2 s GLU 100 CO -0.07 -0.07 0.16 0.34 -0.54 0.00 0.00 175.26 175.08 2af2 s ASP 101 N -0.54 -0.03 -0.57 -1.70 2.15 -1.12 -4.99 116.67 109.87 2af2 s ASP 101 Ca -0.06 -0.09 0.03 0.00 0.43 0.00 0.00 52.55 52.86 2af2 s ASP 101 Cb -0.04 0.24 0.40 0.00 -0.30 0.00 0.00 42.92 43.22 2af2 s ASP 101 CO 0.01 -0.32 1.42 -1.54 -0.17 0.00 0.00 175.17 174.57 2af2 n SER 102 N 1.71 5.66 0.00 -0.34 3.41 -1.26 -1.74 113.62 121.05 2af2 n SER 102 Ca -0.21 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.64 2af2 n SER 102 Cb 0.56 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.51 0.00 -2.49 -3.33 0.31 -1.26 -4.94 118.33 106.12 2af2 n VAL 103 Ca 0.44 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.48 2af2 n VAL 103 Cb 0.53 -0.39 -0.01 0.00 -0.91 0.00 0.00 33.84 33.06 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 -1.77 4.80 0.29 2.52 -0.00 -1.26 -5.09 121.20 120.68 2af2 s ILE 104 Ca 0.00 0.56 -0.17 0.00 -0.00 0.00 0.00 60.65 61.04 2af2 s ILE 104 Cb 0.00 -3.82 0.02 0.00 -0.00 0.00 0.00 42.46 38.66 2af2 s ILE 104 CO 0.00 -0.82 0.65 -0.94 -0.00 0.00 0.00 174.94 173.82 2af2 s SER 105 N -3.78 -0.12 -1.27 4.36 1.04 -1.26 -4.39 113.70 108.28 2af2 s SER 105 Ca 0.51 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 2af2 s SER 105 Cb -0.10 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.82 2af2 s SER 105 CO 0.42 -1.33 1.64 -0.76 0.98 0.00 0.00 173.24 174.19 2af2 s LEU 106 N -2.98 4.21 0.00 2.42 2.01 -1.21 -3.52 118.68 119.61 2af2 s LEU 106 Ca 0.16 -2.60 -0.00 0.00 0.01 0.00 0.00 54.13 51.69 2af2 s LEU 106 Cb -0.04 -2.52 0.02 0.00 0.01 0.00 0.00 46.19 43.65 2af2 s LEU 106 CO 0.09 -1.04 0.10 -1.54 1.01 0.00 0.00 176.35 174.97 2af2 n SER 107 N 7.55 0.11 -0.03 2.29 3.41 -1.26 -4.88 113.62 120.82 2af2 n SER 107 Ca 0.45 -1.10 -0.22 0.00 -0.26 0.00 0.00 58.87 57.74 2af2 n SER 107 Cb 0.45 -0.07 -0.13 0.00 -0.26 0.00 0.00 64.21 64.20 2af2 n SER 107 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2af2 h GLY 108 N -0.08 0.21 -4.46 5.00 0.00 -1.94 -3.43 103.07 98.38 2af2 h GLY 108 Ca -0.03 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 2af2 h GLY 108 CO 0.03 0.46 -0.02 1.34 0.00 0.00 0.00 176.54 178.35 2af2 n ASP 109 N -3.85 -1.00 0.00 0.19 2.03 -1.25 -4.28 116.55 108.38 2af2 n ASP 109 Ca -0.31 -1.69 0.00 0.00 0.52 0.00 0.00 54.79 53.31 2af2 n ASP 109 Cb 0.91 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.99 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2af2 n HIS 110 N -0.57 -0.01 0.00 -0.67 8.25 -1.26 -5.07 115.22 115.89 2af2 n HIS 110 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2af2 n HIS 110 Cb 0.68 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.81 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 -1.55 0.00 -0.07 0.41 7.64 -1.26 -5.04 113.62 113.75 2af2 n SER 111 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2af2 n SER 111 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2af2 n ILE 112 N 0.00 0.87 -1.79 0.44 -5.35 -1.23 -4.89 119.36 107.41 2af2 n ILE 112 Ca 0.00 -0.66 -0.41 0.00 -0.27 0.00 0.00 62.75 61.41 2af2 n ILE 112 Cb 0.00 -0.37 -0.01 0.00 -1.74 0.00 0.00 39.64 37.53 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 -2.67 2.05 0.00 7.28 -1.09 -1.26 -2.86 121.20 122.65 2af2 s ILE 113 Ca -0.08 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2af2 s ILE 113 Cb 0.07 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 2af2 s ILE 113 CO 0.74 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 2af2 n GLY 114 N 1.07 0.71 3.64 6.18 0.00 -0.13 -3.93 105.19 112.73 2af2 n GLY 114 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.38 2.01 -0.29 1.61 3.00 -1.13 -1.21 118.95 122.55 2af2 s ARG 115 Ca 0.00 -2.21 -0.00 0.00 0.00 0.00 0.00 55.73 53.52 2af2 s ARG 115 Cb 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 34.95 33.62 2af2 s ARG 115 CO 0.00 -0.24 -0.02 0.99 0.00 0.00 0.00 175.30 176.03 2af2 s THR 116 N -2.91 2.76 -0.25 0.02 2.01 -1.09 -0.63 115.64 115.55 2af2 s THR 116 Ca 0.23 -1.50 -0.14 0.00 0.31 0.00 0.00 61.69 60.58 2af2 s THR 116 Cb 0.06 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2af2 s THR 116 CO 0.11 -0.12 0.33 -0.22 -0.69 0.00 0.00 174.62 174.04 2af2 s LEU 117 N 1.20 4.08 -0.07 4.42 2.96 -0.22 -0.28 118.68 130.77 2af2 s LEU 117 Ca -0.05 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 2af2 s LEU 117 Cb -0.20 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 2af2 s LEU 117 CO -0.02 -0.10 -0.23 0.54 -1.32 0.00 0.00 176.35 175.21 2af2 s VAL 118 N 1.67 1.94 0.28 1.68 0.11 -0.95 -2.02 120.40 123.13 2af2 s VAL 118 Ca 0.14 -0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 58.12 2af2 s VAL 118 Cb -0.15 -1.66 -0.06 0.00 -1.53 0.00 0.00 36.38 32.98 2af2 s VAL 118 CO 0.09 0.54 0.59 -0.69 -3.33 0.00 0.00 175.10 172.29 2af2 s VAL 119 N -0.00 4.94 -0.03 2.04 1.01 -0.37 -2.58 120.40 125.42 2af2 s VAL 119 Ca -0.07 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2af2 s VAL 119 Cb -0.14 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2af2 s VAL 119 CO 0.05 -0.24 -0.20 -1.00 0.00 0.00 0.00 175.10 173.70 2af2 s HIS 120 N -2.01 1.89 0.18 5.22 3.76 0.13 -2.13 115.29 122.33 2af2 s HIS 120 Ca 0.47 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.83 2af2 s HIS 120 Cb -0.11 -1.23 0.16 0.00 1.11 0.00 0.00 32.58 32.51 2af2 s HIS 120 CO 0.26 -0.08 1.76 1.49 -0.85 0.00 0.00 174.74 177.33 2af2 h GLU 121 N 5.80 0.40 -5.82 1.40 4.22 0.49 -2.10 114.58 118.97 2af2 h GLU 121 Ca -0.37 -0.02 -0.66 0.00 0.08 0.00 0.00 59.36 58.39 2af2 h GLU 121 Cb 1.15 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 2af2 h GLU 121 CO 0.48 0.26 -0.52 0.15 -2.18 0.00 0.00 179.01 177.20 2af2 s LYS 122 N -6.13 3.29 0.91 1.92 -0.14 -1.26 -4.21 119.74 114.13 2af2 s LYS 122 Ca -0.13 -0.31 -0.13 0.00 -1.36 0.00 0.00 55.97 54.05 2af2 s LYS 122 Cb 0.14 -3.04 0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2af2 s LYS 122 CO 0.73 0.71 0.54 0.00 -0.76 0.00 0.00 175.35 176.57 2af2 n ALA 123 N 1.49 -2.13 -1.78 5.17 0.00 -0.35 -2.67 120.51 120.24 2af2 n ALA 123 Ca -0.15 -0.54 -0.36 0.00 0.00 0.00 0.00 53.44 52.39 2af2 n ALA 123 Cb 0.54 -1.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.01 6.73 0.55 0.00 -4.77 -1.26 -4.06 116.67 111.85 2af2 s ASP 124 Ca 0.60 2.01 0.33 0.00 -3.30 0.00 0.00 52.55 52.19 2af2 s ASP 124 Cb -0.24 -2.58 1.45 0.00 -1.09 0.00 0.00 42.92 40.46 2af2 s ASP 124 CO 0.64 -0.51 2.02 -0.78 0.70 0.00 0.00 175.17 177.24 2af2 h ASP 125 N 2.40 0.00 0.00 2.11 3.58 -1.25 -3.46 116.42 119.79 2af2 h ASP 125 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2af2 h ASP 125 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2af2 h ASP 125 CO 0.62 0.05 0.00 0.18 -2.88 0.00 0.00 179.24 177.21 2af2 n LEU 126 N -3.20 0.00 0.00 2.28 4.77 -1.25 -4.64 117.00 114.97 2af2 n LEU 126 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2af2 n LEU 126 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2af2 n LEU 126 CO 0.28 0.00 0.02 0.61 -1.33 0.00 0.00 177.39 176.96 2af2 n GLY 127 N 0.00 0.59 3.15 -0.72 0.00 -1.26 -1.95 105.19 105.00 2af2 n GLY 127 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2af2 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2af2 s LYS 128 N -0.50 0.47 0.00 1.61 -2.85 -1.26 -4.65 119.74 112.56 2af2 s LYS 128 Ca 0.00 0.81 0.00 0.00 -1.00 0.00 0.00 55.97 55.78 2af2 s LYS 128 Cb 0.00 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 2af2 s LYS 128 CO 0.00 -0.54 0.34 0.41 0.10 0.00 0.00 175.35 175.66 2af2 n GLY 129 N 5.44 0.91 1.37 0.59 0.00 -1.26 -4.82 105.19 107.42 2af2 n GLY 129 Ca -0.02 0.00 0.00 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 0.30 0.65 3.60 -0.02 0.00 -1.26 -4.93 105.19 103.53 2af2 n GLY 130 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 3.28 0.08 1.61 0.01 -1.26 -5.00 114.94 111.59 2af2 s ASN 131 Ca 0.00 -1.72 -0.32 0.00 -0.71 0.00 0.00 52.86 50.11 2af2 s ASN 131 Cb 0.00 0.61 -0.17 0.00 0.41 0.00 0.00 41.25 42.11 2af2 s ASN 131 CO 0.00 -0.96 1.62 -0.08 -1.51 0.00 0.00 177.10 176.17 2af2 h GLU 132 N 1.60 -0.81 -1.42 -0.60 4.22 -2.03 -2.51 114.58 113.02 2af2 h GLU 132 Ca -0.37 0.06 0.43 0.00 0.08 0.00 0.00 59.36 59.55 2af2 h GLU 132 Cb 1.29 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.65 2af2 h GLU 132 CO 0.60 -0.54 1.00 0.39 -2.18 0.00 0.00 179.01 178.28 2af2 n GLU 133 N -5.48 -0.01 0.26 1.92 -0.58 -1.26 -3.46 120.64 112.03 2af2 n GLU 133 Ca -0.12 0.86 0.17 0.00 -0.42 0.00 0.00 57.16 57.66 2af2 n GLU 133 Cb 0.37 -1.92 0.90 0.00 -0.57 0.00 0.00 31.44 30.22 2af2 n GLU 133 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2af2 h SER 134 N 0.00 0.00 0.00 1.62 4.64 -1.76 0.01 113.55 118.06 2af2 h SER 134 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 2af2 h SER 134 Cb 2.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.84 2af2 h SER 134 CO -0.09 0.00 -0.14 1.07 -0.87 0.00 0.00 176.83 176.80 2af2 n THR 135 N -3.66 0.00 -0.04 2.95 5.66 -1.22 -3.44 114.28 114.52 2af2 n THR 135 Ca -0.01 -0.10 -0.13 0.00 -3.05 0.00 0.00 64.05 60.76 2af2 n THR 135 Cb 0.23 0.66 -0.09 0.00 -1.55 0.00 0.00 70.33 69.59 2af2 n THR 135 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 2af2 h LYS 136 N 0.00 0.24 0.00 1.09 2.10 -1.70 -3.29 116.57 115.01 2af2 h LYS 136 Ca 0.00 -0.14 0.00 0.00 -2.00 0.00 0.00 60.65 58.51 2af2 h LYS 136 Cb 0.00 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2af2 h LYS 136 CO 0.00 0.71 -1.62 2.41 -2.00 0.00 0.00 179.45 178.95 2af2 n THR 137 N -4.62 0.00 -0.44 0.07 -1.04 -1.03 -4.15 114.28 103.07 2af2 n THR 137 Ca -0.07 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2af2 n THR 137 Cb 0.36 0.23 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 2af2 n THR 137 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2af2 n GLY 138 N 1.56 0.76 3.02 3.41 0.00 -1.09 -3.95 105.19 108.90 2af2 n GLY 138 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.92 -4.58 1.61 4.05 -0.04 -0.76 115.26 114.62 2af2 n ASN 139 Ca 0.00 0.00 -0.41 0.00 0.45 0.00 0.00 54.58 54.62 2af2 n ASN 139 Cb 0.00 -0.81 -0.03 0.00 1.23 0.00 0.00 39.78 40.17 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 s ALA 140 N -2.85 2.39 0.00 5.20 0.00 -1.25 -4.79 121.76 120.46 2af2 s ALA 140 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2af2 s ALA 140 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.96 2af2 s ALA 140 CO 0.00 -3.34 0.31 0.41 0.00 0.00 0.00 175.76 173.14 2af2 n GLY 141 N 5.76 0.00 0.00 0.00 0.00 -1.09 -4.77 105.19 105.09 2af2 n GLY 141 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2af2 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2af2 n SER 142 N -0.72 0.00 -1.75 1.61 3.41 -1.26 -4.83 113.62 110.08 2af2 n SER 142 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2af2 n SER 142 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2af2 n SER 142 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2af2 n ARG 143 N 1.27 -4.90 -3.00 4.33 0.00 -1.26 -1.46 116.66 111.64 2af2 n ARG 143 Ca 0.00 3.55 0.00 0.00 -0.00 0.00 0.00 57.85 61.40 2af2 n ARG 143 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 32.46 28.54 2af2 n ARG 143 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2af2 n LEU 144 N 0.28 0.00 -4.62 6.15 4.77 -0.90 -0.32 117.00 122.36 2af2 n LEU 144 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 2af2 n LEU 144 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2af2 n LEU 144 CO 0.00 0.00 0.55 0.00 -1.33 0.00 0.00 177.39 176.61 2af2 n ALA 145 N 0.00 0.01 -3.25 -1.18 0.00 -1.26 -4.55 120.51 110.28 2af2 n ALA 145 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 2af2 n ALA 145 Cb 0.00 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.26 2af2 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2af2 s GLY 147 N -1.60 -0.24 -0.06 0.00 0.00 -0.86 -0.92 107.32 103.64 2af2 s GLY 147 Ca -0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.54 2af2 s GLY 147 CO 0.02 -0.00 0.21 0.54 0.00 0.00 0.00 173.10 173.87 2af2 s VAL 148 N -3.74 5.39 -0.67 1.40 0.11 -1.26 -1.06 120.40 120.57 2af2 s VAL 148 Ca 0.09 0.24 -0.27 0.00 -2.93 0.00 0.00 61.98 59.11 2af2 s VAL 148 Cb -0.04 -3.50 0.02 0.00 -1.53 0.00 0.00 36.38 31.34 2af2 s VAL 148 CO 0.01 0.52 1.31 -0.63 -3.33 0.00 0.00 175.10 172.98 2af2 s ILE 149 N -1.13 3.78 0.56 7.04 1.01 0.20 -4.72 121.20 127.94 2af2 s ILE 149 Ca 0.21 0.56 0.09 0.00 0.00 0.00 0.00 60.65 61.50 2af2 s ILE 149 Cb -0.13 -4.75 0.08 0.00 0.01 0.00 0.00 42.46 37.67 2af2 s ILE 149 CO 0.10 -1.58 0.78 -0.83 0.00 0.00 0.00 174.94 173.40 2af2 s GLY 150 N 3.88 1.76 0.24 6.18 0.00 -0.99 -0.96 107.32 117.43 2af2 s GLY 150 Ca 0.41 -2.04 0.09 0.00 0.00 0.00 0.00 44.72 43.18 2af2 s GLY 150 CO 0.19 -1.61 0.03 -0.26 0.00 0.00 0.00 173.10 171.45 2af2 s ILE 151 N -2.66 3.66 -0.34 0.90 -5.25 -1.26 -1.30 121.20 114.95 2af2 s ILE 151 Ca 0.61 -1.71 0.14 0.00 -0.99 0.00 0.00 60.65 58.70 2af2 s ILE 151 Cb -0.06 -2.93 -0.18 0.00 2.95 0.00 0.00 42.46 42.24 2af2 s ILE 151 CO 0.39 -0.30 0.44 0.00 -1.79 0.00 0.00 174.94 173.68 2af2 n ALA 152 N -0.72 3.16 -0.54 2.27 0.00 -0.94 -4.95 120.51 118.79 2af2 n ALA 152 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2af2 n ALA 152 Cb 0.58 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2af2 n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54