#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 3.37 -3.64 0.00 -2.24 -1.09 -4.44 114.28 106.24 2af2 n THR 2 Ca 0.00 -1.91 -0.05 0.00 -2.27 0.00 0.00 64.05 59.82 2af2 n THR 2 Cb 0.00 -2.28 -0.07 0.00 -2.10 0.00 0.00 70.33 65.89 2af2 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2af2 s LYS 3 N 1.99 0.59 0.03 -0.78 -0.14 -1.26 -4.43 119.74 115.73 2af2 s LYS 3 Ca 0.61 1.02 -0.04 0.00 -1.36 0.00 0.00 55.97 56.21 2af2 s LYS 3 Cb 0.21 0.13 -0.02 0.00 -1.68 0.00 0.00 37.83 36.47 2af2 s LYS 3 CO -0.03 -0.13 0.05 0.00 -0.76 0.00 0.00 175.35 174.49 2af2 s ALA 4 N 1.56 0.04 -0.09 5.17 0.00 -0.35 -2.41 121.76 125.68 2af2 s ALA 4 Ca -0.10 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.03 2af2 s ALA 4 Cb -0.05 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2af2 s ALA 4 CO -0.18 -0.28 0.51 0.08 0.00 0.00 0.00 175.76 175.89 2af2 s VAL 5 N -2.42 0.02 -0.10 0.00 1.01 0.16 -0.19 120.40 118.87 2af2 s VAL 5 Ca -0.07 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2af2 s VAL 5 Cb -0.02 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2af2 s VAL 5 CO -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 175.10 174.77 2af2 s ALA 6 N -0.74 2.01 -0.15 5.51 0.00 -0.28 -1.20 121.76 126.91 2af2 s ALA 6 Ca -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2af2 s ALA 6 Cb -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2af2 s ALA 6 CO 0.05 0.16 -0.11 0.14 0.00 0.00 0.00 175.76 176.00 2af2 s VAL 7 N 0.55 3.10 -0.16 0.00 -7.23 -1.26 -0.96 120.40 114.45 2af2 s VAL 7 Ca -0.15 -0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 59.36 2af2 s VAL 7 Cb -0.17 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2af2 s VAL 7 CO 0.05 0.50 -0.02 -0.76 -0.31 0.00 0.00 175.10 174.56 2af2 s LEU 8 N 0.66 3.36 -0.46 1.32 1.02 -0.00 -4.32 118.68 120.26 2af2 s LEU 8 Ca -0.06 -0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.08 2af2 s LEU 8 Cb -0.15 -1.81 0.24 0.00 0.02 0.00 0.00 46.19 44.48 2af2 s LEU 8 CO 0.02 0.18 0.76 1.17 0.02 0.00 0.00 176.35 178.51 2af2 n LYS 9 N 3.46 0.73 0.00 1.70 4.81 -0.98 -2.18 118.16 125.70 2af2 n LYS 9 Ca -0.17 -2.20 0.03 0.00 -0.87 0.00 0.00 58.31 55.10 2af2 n LYS 9 Cb 0.52 -1.40 0.02 0.00 0.02 0.00 0.00 35.03 34.19 2af2 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2af2 n GLY 10 N 1.68 -0.69 3.06 3.14 0.00 -1.25 -4.84 105.19 106.28 2af2 n GLY 10 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2af2 n GLY 10 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2af2 s ASP 11 N -0.63 -0.66 0.00 1.61 -1.08 -1.26 -4.58 116.67 110.07 2af2 s ASP 11 Ca 0.06 0.61 0.00 0.00 -0.52 0.00 0.00 52.55 52.70 2af2 s ASP 11 Cb 0.05 1.70 0.00 0.00 -1.46 0.00 0.00 42.92 43.21 2af2 s ASP 11 CO 0.09 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 176.12 2af2 n GLY 12 N 5.40 1.11 0.17 2.66 0.00 -1.26 -0.72 105.19 112.55 2af2 n GLY 12 Ca -0.02 0.33 0.15 0.00 0.00 0.00 0.00 46.02 46.47 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 1.12 1.03 -3.96 1.61 -0.04 -1.26 -4.92 135.00 128.58 2af2 n PRO 13 Ca 0.00 -0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 62.76 2af2 n PRO 13 Cb 0.00 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.21 5.11 0.36 0.52 1.01 0.10 -4.45 120.40 120.85 2af2 s VAL 14 Ca 0.37 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.46 2af2 s VAL 14 Cb 0.21 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2af2 s VAL 14 CO 0.41 0.54 0.06 -1.10 0.00 0.00 0.00 175.10 175.01 2af2 s GLN 15 N -0.36 1.76 0.00 2.72 1.11 -0.40 -4.37 119.66 120.12 2af2 s GLN 15 Ca 0.10 -2.01 -0.11 0.00 0.01 0.00 0.00 55.36 53.35 2af2 s GLN 15 Cb -0.12 -0.93 0.01 0.00 -1.01 0.00 0.00 33.01 30.97 2af2 s GLN 15 CO 0.01 -0.24 0.23 0.20 0.01 0.00 0.00 175.29 175.51 2af2 s GLY 16 N -3.55 -0.05 -0.06 3.09 0.00 -0.93 -1.30 107.32 104.52 2af2 s GLY 16 Ca 0.32 0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.10 2af2 s GLY 16 CO 0.15 -0.13 -0.05 -0.26 0.00 0.00 0.00 173.10 172.81 2af2 s ILE 17 N -1.58 0.65 -0.27 0.90 -5.25 -0.51 -0.82 121.20 114.33 2af2 s ILE 17 Ca -0.13 -0.15 -0.01 0.00 -0.99 0.00 0.00 60.65 59.38 2af2 s ILE 17 Cb -0.05 -0.69 0.08 0.00 2.95 0.00 0.00 42.46 44.75 2af2 s ILE 17 CO 0.02 0.27 0.07 -0.63 -1.79 0.00 0.00 174.94 172.88 2af2 s ILE 18 N 1.20 0.77 -0.24 8.37 -1.09 -0.13 -1.63 121.20 128.45 2af2 s ILE 18 Ca -0.06 -1.09 -0.11 0.00 -2.23 0.00 0.00 60.65 57.16 2af2 s ILE 18 Cb -0.14 -1.44 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 2af2 s ILE 18 CO -0.02 -0.49 0.19 0.20 -1.23 0.00 0.00 174.94 173.60 2af2 s ASN 19 N 1.70 6.15 0.19 3.58 0.01 -0.14 -1.13 114.94 125.30 2af2 s ASN 19 Ca 0.05 0.15 0.05 0.00 -0.71 0.00 0.00 52.86 52.41 2af2 s ASN 19 Cb -0.17 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 2af2 s ASN 19 CO -0.19 0.04 0.18 -0.36 -1.51 0.00 0.00 177.10 175.26 2af2 s PHE 20 N 1.14 3.20 -0.05 2.20 0.08 0.73 -1.08 117.98 124.19 2af2 s PHE 20 Ca 0.09 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.13 2af2 s PHE 20 Cb -0.14 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.82 2af2 s PHE 20 CO 0.05 0.51 -0.07 -1.83 -0.10 0.00 0.00 175.22 173.79 2af2 s GLU 21 N -3.35 1.12 0.01 0.44 4.04 -0.56 -1.21 118.70 119.19 2af2 s GLU 21 Ca 0.32 -0.20 0.00 0.00 0.04 0.00 0.00 54.97 55.13 2af2 s GLU 21 Cb -0.10 -1.05 -0.01 0.00 0.02 0.00 0.00 34.13 32.99 2af2 s GLU 21 CO 0.25 -0.06 -0.02 -1.14 -1.84 0.00 0.00 175.26 172.44 2af2 s GLN 22 N 0.91 0.20 -0.07 -4.83 -0.44 -1.26 -3.18 119.66 110.99 2af2 s GLN 22 Ca -0.11 -0.35 0.05 0.00 -2.50 0.00 0.00 55.36 52.45 2af2 s GLN 22 Cb -0.15 0.02 -0.08 0.00 -1.64 0.00 0.00 33.01 31.16 2af2 s GLN 22 CO 0.01 -0.02 0.01 0.36 0.50 0.00 0.00 175.29 176.15 2af2 n LYS 23 N 2.25 2.54 -3.53 1.67 0.00 -1.26 -2.69 118.16 117.14 2af2 n LYS 23 Ca -0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 57.98 2af2 n LYS 23 Cb 0.57 -1.17 -0.05 0.00 -0.00 0.00 0.00 35.03 34.38 2af2 n LYS 23 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2af2 s GLU 24 N -2.16 1.09 0.32 -1.58 -6.30 -1.26 -4.99 118.70 103.81 2af2 s GLU 24 Ca -0.04 -0.16 0.10 0.00 -2.50 0.00 0.00 54.97 52.36 2af2 s GLU 24 Cb 0.02 0.50 0.91 0.00 0.00 0.00 0.00 34.13 35.56 2af2 s GLU 24 CO 0.26 -0.40 1.71 0.77 0.02 0.00 0.00 175.26 177.62 2af2 h SER 25 N 2.68 0.57 0.04 -1.70 0.02 -1.97 0.18 113.55 113.37 2af2 h SER 25 Ca -0.31 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2af2 h SER 25 Cb 1.21 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2af2 h SER 25 CO 0.40 0.02 -0.01 0.59 -1.14 0.00 0.00 176.83 176.69 2af2 n ASN 26 N -4.96 0.59 -4.87 3.07 3.02 -1.26 -4.67 115.26 106.19 2af2 n ASN 26 Ca 0.27 -1.13 -0.37 0.00 -0.03 0.00 0.00 54.58 53.32 2af2 n ASN 26 Cb 0.79 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.89 2af2 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2af2 s GLY 27 N -2.05 2.22 0.86 7.41 0.00 0.62 -5.09 107.32 111.28 2af2 s GLY 27 Ca 0.42 -0.55 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 2af2 s GLY 27 CO 0.37 -0.25 1.09 2.56 0.00 0.00 0.00 173.10 176.87 2af2 s PRO 28 N -0.99 1.52 -0.02 2.90 0.04 -1.26 -4.66 135.00 132.53 2af2 s PRO 28 Ca 0.17 0.91 0.02 0.00 0.04 0.00 0.00 61.00 62.14 2af2 s PRO 28 Cb -0.13 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2af2 s PRO 28 CO 0.06 -2.08 -0.09 0.08 0.04 0.00 0.00 177.00 175.01 2af2 s VAL 29 N -2.93 0.73 -0.22 -0.36 1.01 -0.04 -4.62 120.40 113.98 2af2 s VAL 29 Ca 0.63 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 2af2 s VAL 29 Cb -0.18 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2af2 s VAL 29 CO 0.57 0.23 0.35 -0.75 0.00 0.00 0.00 175.10 175.50 2af2 s LYS 30 N 0.13 4.13 0.14 2.72 2.20 -1.19 -1.06 119.74 126.82 2af2 s LYS 30 Ca -0.02 0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.74 2af2 s LYS 30 Cb -0.07 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2af2 s LYS 30 CO 0.00 -0.05 0.06 0.54 -0.36 0.00 0.00 175.35 175.54 2af2 s VAL 31 N 1.37 4.19 0.19 4.02 0.11 0.15 -1.50 120.40 128.93 2af2 s VAL 31 Ca 0.17 -1.10 -0.19 0.00 -2.93 0.00 0.00 61.98 57.92 2af2 s VAL 31 Cb -0.15 -3.08 0.04 0.00 -1.53 0.00 0.00 36.38 31.66 2af2 s VAL 31 CO 0.08 -0.02 0.55 -1.66 -3.33 0.00 0.00 175.10 170.71 2af2 s TRP 32 N -1.59 -0.21 -5.00 1.54 -2.14 -0.24 -1.33 118.94 109.98 2af2 s TRP 32 Ca 0.29 -0.12 0.00 0.00 2.66 0.00 0.00 56.10 58.92 2af2 s TRP 32 Cb -0.11 0.44 0.00 0.00 -3.10 0.00 0.00 33.47 30.71 2af2 s TRP 32 CO 0.21 -0.92 0.00 0.41 -2.66 0.00 0.00 176.95 173.99 2af2 n GLY 33 N -0.35 0.71 3.42 3.67 0.00 -0.32 -0.96 105.19 111.36 2af2 n GLY 33 Ca -0.11 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.50 -0.23 1.61 1.04 -0.64 -0.61 113.70 110.37 2af2 s SER 34 Ca 0.00 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.88 2af2 s SER 34 Cb 0.00 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.62 2af2 s SER 34 CO 0.00 -0.59 -0.11 -0.63 0.98 0.00 0.00 173.24 172.89 2af2 s ILE 35 N -1.45 2.56 -0.00 -1.02 1.09 -0.38 -1.42 121.20 120.57 2af2 s ILE 35 Ca -0.11 -1.05 0.02 0.00 -1.10 0.00 0.00 60.65 58.41 2af2 s ILE 35 Cb -0.02 -2.25 -0.00 0.00 -1.06 0.00 0.00 42.46 39.13 2af2 s ILE 35 CO 0.06 0.29 -0.05 -1.59 -0.10 0.00 0.00 174.94 173.55 2af2 s LYS 36 N 1.29 0.41 0.00 2.79 -2.85 -0.42 -1.05 119.74 119.92 2af2 s LYS 36 Ca 0.01 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2af2 s LYS 36 Cb -0.16 -0.39 0.00 0.00 -2.06 0.00 0.00 37.83 35.22 2af2 s LYS 36 CO -0.07 0.11 0.00 0.41 0.10 0.00 0.00 175.35 175.90 2af2 n GLY 37 N 2.93 2.09 3.87 0.59 0.00 0.06 -1.28 105.19 113.45 2af2 n GLY 37 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 3.75 0.74 0.99 0.05 -1.26 -4.63 118.68 118.32 2af2 s LEU 38 Ca 0.00 1.25 -0.15 0.00 0.05 0.00 0.00 54.13 55.28 2af2 s LEU 38 Cb 0.00 -4.15 0.04 0.00 -2.05 0.00 0.00 46.19 40.03 2af2 s LEU 38 CO 0.00 -0.47 1.21 -0.89 -0.55 0.00 0.00 176.35 175.65 2af2 s THR 39 N -2.48 2.26 1.11 5.48 2.01 -1.26 -4.06 115.64 118.69 2af2 s THR 39 Ca 0.53 0.13 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 2af2 s THR 39 Cb -0.10 -2.70 0.08 0.00 0.01 0.00 0.00 72.50 69.79 2af2 s THR 39 CO 0.33 -0.07 -0.14 -1.84 -0.69 0.00 0.00 174.62 172.21 2af2 n GLU 40 N -2.76 -1.45 0.00 4.92 0.00 -1.26 -4.63 120.64 115.46 2af2 n GLU 40 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 57.16 56.89 2af2 n GLU 40 Cb 0.50 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.30 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 2.16 -2.66 3.79 -1.84 0.00 -0.73 -4.78 105.19 101.14 2af2 n GLY 41 Ca 0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 2af2 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 42 N 0.00 3.98 -0.04 0.99 1.02 -1.26 -0.83 118.68 122.54 2af2 s LEU 42 Ca 0.00 1.93 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 2af2 s LEU 42 Cb 0.00 -4.40 0.02 0.00 0.02 0.00 0.00 46.19 41.83 2af2 s LEU 42 CO 0.00 -0.60 0.09 -1.00 0.02 0.00 0.00 176.35 174.86 2af2 s HIS 43 N -1.88 -0.08 0.57 0.29 3.76 0.13 -2.12 115.29 115.96 2af2 s HIS 43 Ca 0.63 0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 55.64 2af2 s HIS 43 Cb -0.17 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 2af2 s HIS 43 CO 0.22 -0.10 1.10 0.20 -0.85 0.00 0.00 174.74 175.31 2af2 s GLY 44 N 0.70 2.40 -0.19 -2.22 0.00 -1.18 -0.09 107.32 106.75 2af2 s GLY 44 Ca -0.05 0.65 -0.06 0.00 0.00 0.00 0.00 44.72 45.26 2af2 s GLY 44 CO -0.03 0.99 0.37 -0.12 0.00 0.00 0.00 173.10 174.31 2af2 s PHE 45 N -2.07 -0.70 -0.10 1.90 2.19 -1.26 -0.93 117.98 117.01 2af2 s PHE 45 Ca 0.69 1.23 -0.20 0.00 0.33 0.00 0.00 56.93 58.99 2af2 s PHE 45 Cb -0.21 0.15 0.05 0.00 -1.31 0.00 0.00 43.02 41.70 2af2 s PHE 45 CO 0.31 -0.49 0.48 -3.38 1.83 0.00 0.00 175.22 173.97 2af2 s HIS 46 N 2.55 -0.46 -0.18 10.12 -3.43 -0.58 -4.23 115.29 119.07 2af2 s HIS 46 Ca 0.02 0.97 -0.15 0.00 -0.80 0.00 0.00 55.06 55.09 2af2 s HIS 46 Cb -0.13 0.21 -0.04 0.00 -1.43 0.00 0.00 32.58 31.19 2af2 s HIS 46 CO -0.12 -0.38 0.35 0.08 -2.00 0.00 0.00 174.74 172.67 2af2 s VAL 47 N -0.54 5.25 0.43 -5.38 1.01 0.50 -0.94 120.40 120.72 2af2 s VAL 47 Ca -0.07 0.64 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 2af2 s VAL 47 Cb -0.03 -3.69 0.10 0.00 0.00 0.00 0.00 36.38 32.76 2af2 s VAL 47 CO 0.04 0.31 0.43 1.41 0.00 0.00 0.00 175.10 177.29 2af2 n HIS 48 N 4.08 -3.52 0.00 5.22 8.25 0.88 -4.42 115.22 125.72 2af2 n HIS 48 Ca -0.10 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 56.97 2af2 n HIS 48 Cb 0.51 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2af2 n HIS 48 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2af2 n GLU 49 N -2.53 0.00 -0.09 -0.41 0.00 -1.26 -4.25 120.64 112.10 2af2 n GLU 49 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2af2 n GLU 49 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.66 2af2 n GLU 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2af2 n PHE 50 N 0.00 -3.13 -0.26 -1.84 3.72 -1.26 -4.18 117.46 110.52 2af2 n PHE 50 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2af2 n PHE 50 Cb 0.00 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 38.85 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 5.00 2.35 2.11 1.37 0.00 0.03 -3.86 105.19 112.19 2af2 n GLY 51 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 2af2 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 52 N 1.62 6.03 -0.30 1.61 5.68 -1.26 -4.48 116.55 125.44 2af2 n ASP 52 Ca 0.24 -3.77 -0.01 0.00 -0.50 0.00 0.00 54.79 50.75 2af2 n ASP 52 Cb 0.62 -0.69 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2af2 n ASN 53 N -0.86 -0.09 0.00 -1.12 0.23 -1.26 -5.04 115.26 107.12 2af2 n ASN 53 Ca 0.53 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 2af2 n ASN 53 Cb 0.85 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 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 0.00 1.19 5.53 -2.24 -1.26 -2.57 114.28 114.92 2af2 n THR 54 Ca -0.02 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 2af2 n THR 54 Cb 0.24 -0.71 0.35 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.32 2.52 -0.26 6.98 0.00 -1.26 -4.61 120.51 123.56 2af2 n ALA 55 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.85 2af2 n ALA 55 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.25 -0.18 0.00 0.00 0.00 -1.06 -4.02 105.19 101.17 2af2 n GLY 56 Ca 0.17 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.15 1.00 0.00 0.00 -2.24 -1.26 -4.53 114.28 106.11 2af2 n THR 58 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2af2 n THR 58 Cb 0.16 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 2af2 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2af2 n SER 59 N 0.27 0.00 -4.78 3.42 7.64 -0.44 -4.99 113.62 114.74 2af2 n SER 59 Ca 0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.65 2af2 n SER 59 Cb 0.57 0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.96 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 -1.71 2.67 0.11 -0.43 0.00 0.42 -5.02 121.76 117.80 2af2 s ALA 60 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2af2 s ALA 60 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2af2 s ALA 60 CO 0.00 -0.82 0.02 0.41 0.00 0.00 0.00 175.76 175.37 2af2 n GLY 61 N -0.09 1.63 2.41 0.00 0.00 -1.26 -4.29 105.19 103.58 2af2 n GLY 61 Ca 0.11 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.04 3.97 -3.54 1.61 -0.04 -1.26 -4.76 135.00 129.93 2af2 n PRO 62 Ca 0.00 -2.69 -0.22 0.00 -0.04 0.00 0.00 63.50 60.55 2af2 n PRO 62 Cb 0.02 -2.77 0.03 0.00 -0.04 0.00 0.00 33.50 30.73 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 3.09 -2.20 -0.59 0.54 1.44 -1.26 -4.74 115.22 111.49 2af2 n HIS 63 Ca 0.71 0.69 -0.26 0.00 -2.01 0.00 0.00 57.72 56.85 2af2 n HIS 63 Cb 0.25 -3.52 -0.05 0.00 0.12 0.00 0.00 29.99 26.79 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 -3.34 0.57 -2.47 -1.40 7.35 -1.26 -4.77 117.46 112.14 2af2 n PHE 64 Ca -0.11 0.38 -0.41 0.00 -0.76 0.00 0.00 57.45 56.54 2af2 n PHE 64 Cb 0.59 -0.94 -0.03 0.00 0.35 0.00 0.00 39.48 39.45 2af2 n PHE 64 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2af2 s ASN 65 N 2.04 6.18 0.53 -2.13 0.02 -1.26 -4.88 114.94 115.44 2af2 s ASN 65 Ca 0.48 0.02 0.31 0.00 -1.02 0.00 0.00 52.86 52.65 2af2 s ASN 65 Cb -0.62 -2.55 1.29 0.00 0.02 0.00 0.00 41.25 39.38 2af2 s ASN 65 CO 0.30 -1.72 1.96 1.55 0.02 0.00 0.00 177.10 179.21 2af2 h PRO 66 N 10.53 0.00 -0.01 -0.60 0.13 -1.97 -2.19 132.00 137.89 2af2 h PRO 66 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2af2 h PRO 66 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2af2 h PRO 66 CO 1.21 0.06 -0.26 1.28 -0.23 0.00 0.00 178.00 180.06 2af2 n LEU 67 N -3.19 1.77 -3.80 1.56 4.32 -1.26 -5.01 117.00 111.40 2af2 n LEU 67 Ca 0.00 -0.81 -0.26 0.00 -0.02 0.00 0.00 56.01 54.92 2af2 n LEU 67 Cb 0.33 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.16 2af2 n LEU 67 CO 0.29 0.33 0.05 -0.24 -1.22 0.00 0.00 177.39 176.60 2af2 n SER 68 N 0.09 -3.42 -4.92 -1.43 2.88 -0.83 -5.02 113.62 100.97 2af2 n SER 68 Ca 0.07 -0.77 -0.22 0.00 -1.33 0.00 0.00 58.87 56.62 2af2 n SER 68 Cb 0.35 -4.07 0.05 0.00 -0.75 0.00 0.00 64.21 59.80 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 -6.32 2.37 0.62 -1.46 0.52 -1.26 -5.11 118.95 108.31 2af2 s ARG 69 Ca 0.38 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 2af2 s ARG 69 Cb -0.19 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 32.86 2af2 s ARG 69 CO 0.81 -0.89 0.95 0.15 0.02 0.00 0.00 175.30 176.34 2af2 s LYS 70 N -4.87 2.91 0.28 3.54 3.01 -1.26 -4.92 119.74 118.43 2af2 s LYS 70 Ca 0.59 0.11 -0.27 0.00 -1.01 0.00 0.00 55.97 55.39 2af2 s LYS 70 Cb -0.10 -2.21 -0.09 0.00 -1.01 0.00 0.00 37.83 34.42 2af2 s LYS 70 CO 0.40 -0.77 0.93 -1.58 0.51 0.00 0.00 175.35 174.84 2af2 s HIS 71 N -3.08 3.81 0.00 3.18 5.65 -0.83 -3.21 115.29 120.81 2af2 s HIS 71 Ca 0.55 1.82 0.00 0.00 0.25 0.00 0.00 55.06 57.68 2af2 s HIS 71 Cb -0.11 -2.93 0.00 0.00 -1.18 0.00 0.00 32.58 28.36 2af2 s HIS 71 CO 0.47 0.32 0.00 0.41 -0.65 0.00 0.00 174.74 175.29 2af2 n GLY 72 N 0.96 -0.55 0.00 1.59 0.00 -1.26 -1.39 105.19 104.53 2af2 n GLY 72 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 3.40 0.07 -0.02 0.00 -0.60 -4.43 105.19 103.60 2af2 n GLY 73 Ca 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.02 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 0.64 0.00 1.61 -0.04 -1.26 -4.48 135.00 131.47 2af2 n PRO 74 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2af2 n PRO 74 Cb 0.00 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.55 -0.36 -4.07 0.54 2.85 -1.26 -5.08 118.16 108.23 2af2 n LYS 75 Ca -0.08 -0.19 -0.09 0.00 -1.05 0.00 0.00 58.31 56.90 2af2 n LYS 75 Cb 0.69 -0.69 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 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 -0.00 0.58 0.00 -5.58 2.15 -1.26 -5.06 116.67 107.49 2af2 s ASP 76 Ca 0.00 -0.78 0.14 0.00 0.43 0.00 0.00 52.55 52.34 2af2 s ASP 76 Cb 0.00 0.13 -0.10 0.00 -0.30 0.00 0.00 42.92 42.65 2af2 s ASP 76 CO 0.00 -0.43 0.66 1.21 -0.17 0.00 0.00 175.17 176.44 2af2 n GLU 77 N 0.74 2.22 0.23 4.34 2.13 -1.26 -1.56 120.64 127.47 2af2 n GLU 77 Ca -0.18 -0.28 0.13 0.00 0.66 0.00 0.00 57.16 57.49 2af2 n GLU 77 Cb 0.58 -1.18 0.26 0.00 0.27 0.00 0.00 31.44 31.37 2af2 n GLU 77 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2af2 h GLU 78 N 0.59 0.00 0.00 5.31 4.39 -1.89 -3.46 114.58 119.52 2af2 h GLU 78 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2af2 h GLU 78 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2af2 h GLU 78 CO 0.00 0.02 0.00 -2.13 -1.16 0.00 0.00 179.01 175.74 2af2 n ARG 79 N -3.11 0.00 -0.63 2.33 0.63 -1.20 -4.18 116.66 110.52 2af2 n ARG 79 Ca 0.03 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.66 2af2 n ARG 79 Cb 0.50 0.00 0.19 0.00 0.45 0.00 0.00 32.46 33.60 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 0.25 0.21 -0.33 -0.14 8.25 -1.25 -4.90 115.22 117.32 2af2 n HIS 80 Ca 0.00 0.25 0.13 0.00 -0.26 0.00 0.00 57.72 57.85 2af2 n HIS 80 Cb 0.00 -1.91 0.32 0.00 1.12 0.00 0.00 29.99 29.52 2af2 n HIS 80 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2af2 h VAL 81 N -2.10 0.59 -0.12 1.59 2.07 -1.96 -1.63 116.25 114.70 2af2 h VAL 81 Ca -0.48 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2af2 h VAL 81 Cb 1.29 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2af2 h VAL 81 CO 0.43 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.73 2af2 n GLY 82 N -1.32 -0.38 3.32 2.17 0.00 -1.26 -4.81 105.19 102.90 2af2 n GLY 82 Ca 0.23 -0.18 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 2af2 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 83 N -1.16 6.33 -0.74 1.61 1.01 -0.61 -0.37 116.67 122.73 2af2 s ASP 83 Ca 0.15 -1.97 0.01 0.00 0.71 0.00 0.00 52.55 51.45 2af2 s ASP 83 Cb 0.08 -2.22 0.36 0.00 1.01 0.00 0.00 42.92 42.14 2af2 s ASP 83 CO 0.11 -0.82 1.54 0.18 0.21 0.00 0.00 175.17 176.39 2af2 n LEU 84 N 5.09 6.21 0.00 1.23 4.77 -1.26 -4.82 117.00 128.22 2af2 n LEU 84 Ca -0.06 -5.24 0.00 0.00 -0.03 0.00 0.00 56.01 50.68 2af2 n LEU 84 Cb 0.42 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 2af2 n LEU 84 CO 0.50 2.07 0.00 0.61 -1.33 0.00 0.00 177.39 179.23 2af2 n GLY 85 N -0.35 -0.13 3.29 -0.72 0.00 -1.26 -4.94 105.19 101.08 2af2 n GLY 85 Ca 0.44 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 2af2 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 86 N -4.00 1.07 -0.18 1.61 2.20 -1.26 -4.14 114.94 110.23 2af2 s ASN 86 Ca 0.00 -1.36 -0.00 0.00 -0.94 0.00 0.00 52.86 50.56 2af2 s ASN 86 Cb 0.00 0.18 0.05 0.00 -2.00 0.00 0.00 41.25 39.48 2af2 s ASN 86 CO 0.00 -0.72 -0.05 0.68 -2.94 0.00 0.00 177.10 174.07 2af2 s VAL 87 N -3.79 1.17 -0.20 3.54 -7.23 0.88 -4.96 120.40 109.81 2af2 s VAL 87 Ca 0.36 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.73 2af2 s VAL 87 Cb 0.08 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 2af2 s VAL 87 CO 0.12 0.07 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.08 2af2 s THR 88 N 1.59 3.85 0.08 5.32 2.01 -1.26 -0.70 115.64 126.53 2af2 s THR 88 Ca -0.01 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2af2 s THR 88 Cb -0.16 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2af2 s THR 88 CO -0.07 0.43 0.23 0.00 -0.69 0.00 0.00 174.62 174.52 2af2 s ALA 89 N 1.02 4.00 0.32 7.40 0.00 -0.01 -4.34 121.76 130.15 2af2 s ALA 89 Ca 0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 2af2 s ALA 89 Cb -0.14 -1.82 -0.07 0.00 0.00 0.00 0.00 23.12 21.08 2af2 s ALA 89 CO 0.01 0.76 0.67 0.34 0.00 0.00 0.00 175.76 177.54 2af2 s ASP 90 N -2.68 6.62 0.51 0.00 -1.08 0.23 -1.77 116.67 118.50 2af2 s ASP 90 Ca 0.35 1.07 0.17 0.00 -0.52 0.00 0.00 52.55 53.62 2af2 s ASP 90 Cb -0.13 -2.29 0.94 0.00 -1.46 0.00 0.00 42.92 39.98 2af2 s ASP 90 CO 0.28 -0.22 1.47 0.07 0.52 0.00 0.00 175.17 177.29 2af2 h LYS 91 N 1.98 0.00 0.00 4.34 5.09 -1.95 -0.17 116.57 125.86 2af2 h LYS 91 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 2af2 h LYS 91 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 2af2 h LYS 91 CO 0.66 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.77 2af2 n ASP 92 N -2.44 0.00 -0.11 7.07 8.00 -1.26 -4.88 116.55 122.93 2af2 n ASP 92 Ca -0.01 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2af2 n ASP 92 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 0.54 1.13 3.33 0.44 0.00 -0.12 -4.93 105.19 105.58 2af2 n GLY 93 Ca 0.17 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.23 -0.02 -0.26 1.61 0.11 -0.95 -0.76 120.40 117.90 2af2 s VAL 94 Ca 0.00 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 2af2 s VAL 94 Cb 0.00 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2af2 s VAL 94 CO 0.00 0.03 0.36 0.00 -3.33 0.00 0.00 175.10 172.16 2af2 s ALA 95 N 1.22 3.56 -0.16 1.54 0.00 -0.21 -0.60 121.76 127.12 2af2 s ALA 95 Ca -0.08 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 2af2 s ALA 95 Cb -0.07 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2af2 s ALA 95 CO -0.11 -0.58 0.06 0.34 0.00 0.00 0.00 175.76 175.46 2af2 s ASP 96 N 1.53 5.61 0.00 0.00 2.15 -1.26 -1.25 116.67 123.44 2af2 s ASP 96 Ca 0.15 0.12 0.02 0.00 0.43 0.00 0.00 52.55 53.27 2af2 s ASP 96 Cb -0.16 -1.89 -0.01 0.00 -0.30 0.00 0.00 42.92 40.57 2af2 s ASP 96 CO 0.09 0.23 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.56 2af2 s VAL 97 N 0.02 0.59 -0.27 1.11 1.01 0.22 -4.90 120.40 118.18 2af2 s VAL 97 Ca 0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2af2 s VAL 97 Cb -0.12 -0.51 0.12 0.00 0.00 0.00 0.00 36.38 35.87 2af2 s VAL 97 CO 0.01 0.10 0.57 -0.55 0.00 0.00 0.00 175.10 175.24 2af2 s SER 98 N -0.34 -0.86 0.02 3.32 0.15 -1.26 -1.17 113.70 113.56 2af2 s SER 98 Ca 0.02 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.03 2af2 s SER 98 Cb -0.04 1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 66.25 2af2 s SER 98 CO -0.00 -0.23 -0.07 -0.63 1.20 0.00 0.00 173.24 173.51 2af2 s ILE 99 N 2.80 0.54 -0.15 6.45 1.01 -0.44 -4.99 121.20 126.43 2af2 s ILE 99 Ca -0.03 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2af2 s ILE 99 Cb -0.12 -0.54 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 2af2 s ILE 99 CO -0.17 -0.15 -0.15 -0.70 0.00 0.00 0.00 174.94 173.77 2af2 s GLU 100 N -0.95 3.25 0.02 2.79 2.56 -1.26 0.32 118.70 125.42 2af2 s GLU 100 Ca -0.04 -0.74 0.03 0.00 0.00 0.00 0.00 54.97 54.22 2af2 s GLU 100 Cb -0.07 -2.62 -0.02 0.00 2.00 0.00 0.00 34.13 33.43 2af2 s GLU 100 CO 0.00 0.06 -0.10 0.34 -0.56 0.00 0.00 175.26 175.00 2af2 s ASP 101 N 0.72 1.21 -0.45 -1.70 -1.08 -0.22 -4.99 116.67 110.16 2af2 s ASP 101 Ca -0.07 -0.36 0.05 0.00 -0.52 0.00 0.00 52.55 51.66 2af2 s ASP 101 Cb -0.16 -0.07 0.41 0.00 -1.46 0.00 0.00 42.92 41.64 2af2 s ASP 101 CO 0.01 0.01 1.10 -1.54 0.52 0.00 0.00 175.17 175.27 2af2 n SER 102 N 2.18 4.70 0.00 -0.34 3.41 -1.26 -0.86 113.62 121.45 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 0.56 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.46 0.00 -4.12 -3.33 3.14 -1.26 -4.97 118.33 107.33 2af2 n VAL 103 Ca 0.38 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.63 2af2 n VAL 103 Cb 0.64 0.36 -0.11 0.00 -1.06 0.00 0.00 33.84 33.67 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 0.00 0.72 0.38 1.55 -0.00 -1.26 -5.05 121.20 117.54 2af2 s ILE 104 Ca 0.00 -1.37 -0.10 0.00 -0.00 0.00 0.00 60.65 59.18 2af2 s ILE 104 Cb 0.00 -1.01 0.04 0.00 -0.00 0.00 0.00 42.46 41.49 2af2 s ILE 104 CO 0.00 -0.48 0.68 -0.94 -0.00 0.00 0.00 174.94 174.20 2af2 s SER 105 N -2.03 0.40 -0.07 4.36 1.04 -1.26 -4.46 113.70 111.68 2af2 s SER 105 Ca -0.02 -1.31 -0.05 0.00 0.48 0.00 0.00 55.95 55.05 2af2 s SER 105 Cb -0.06 0.79 -0.17 0.00 0.10 0.00 0.00 66.02 66.68 2af2 s SER 105 CO -0.00 -1.56 3.25 0.18 0.98 0.00 0.00 173.24 176.08 2af2 n LEU 106 N -0.55 5.46 -2.05 2.42 4.32 -1.26 -1.43 117.00 123.90 2af2 n LEU 106 Ca -0.05 -3.20 -0.18 0.00 -0.02 0.00 0.00 56.01 52.56 2af2 n LEU 106 Cb 0.60 -1.34 -0.01 0.00 -1.62 0.00 0.00 43.42 41.05 2af2 n LEU 106 CO 0.28 1.60 1.35 -0.24 -1.22 0.00 0.00 177.39 179.16 2af2 n SER 107 N 2.08 6.26 0.00 -1.43 2.88 -1.26 -4.79 113.62 117.36 2af2 n SER 107 Ca 0.38 -3.00 0.00 0.00 -1.33 0.00 0.00 58.87 54.92 2af2 n SER 107 Cb 0.80 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2af2 n GLY 108 N 0.81 1.25 0.33 0.46 0.00 -1.26 -2.18 105.19 104.59 2af2 n GLY 108 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2af2 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 109 N 2.84 0.00 0.00 1.61 -0.08 -1.22 -2.89 116.55 116.80 2af2 n ASP 109 Ca 0.00 -1.35 0.00 0.00 -1.51 0.00 0.00 54.79 51.93 2af2 n ASP 109 Cb 0.00 -0.07 0.00 0.00 2.34 0.00 0.00 41.12 43.39 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2af2 n HIS 110 N 0.00 0.00 0.00 -0.67 8.25 -0.93 -5.00 115.22 116.88 2af2 n HIS 110 Ca 0.00 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2af2 n HIS 110 Cb 0.57 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.20 0.00 -0.69 0.41 7.64 -1.26 -4.88 113.62 114.64 2af2 n SER 111 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 2af2 n SER 111 Cb 0.22 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.62 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 2.26 -4.19 0.44 -5.35 -0.51 -4.76 119.36 107.24 2af2 n ILE 112 Ca 0.00 -2.93 -0.16 0.00 -0.27 0.00 0.00 62.75 59.39 2af2 n ILE 112 Cb 0.00 -0.26 -0.13 0.00 -1.74 0.00 0.00 39.64 37.51 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2af2 s ILE 113 N -3.18 0.76 -1.15 7.28 -1.09 -1.26 -4.67 121.20 117.90 2af2 s ILE 113 Ca 0.39 -0.91 -0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2af2 s ILE 113 Cb 0.37 -0.74 0.00 0.00 -1.58 0.00 0.00 42.46 40.51 2af2 s ILE 113 CO -0.03 -0.14 0.03 0.61 -1.23 0.00 0.00 174.94 174.18 2af2 n GLY 114 N 1.89 -0.18 3.37 6.18 0.00 -0.98 -3.45 105.19 112.01 2af2 n GLY 114 Ca -0.19 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.72 1.74 -0.14 1.61 0.52 -1.26 -0.79 118.95 115.92 2af2 s ARG 115 Ca 0.01 -2.02 -0.01 0.00 -0.52 0.00 0.00 55.73 53.19 2af2 s ARG 115 Cb -0.01 -0.13 0.04 0.00 0.52 0.00 0.00 34.95 35.37 2af2 s ARG 115 CO 0.02 -0.52 -0.02 0.99 0.02 0.00 0.00 175.30 175.79 2af2 s THR 116 N -3.44 0.72 -0.05 0.02 2.01 -1.25 -1.48 115.64 112.17 2af2 s THR 116 Ca 0.33 -0.33 -0.20 0.00 0.31 0.00 0.00 61.69 61.81 2af2 s THR 116 Cb 0.03 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 2af2 s THR 116 CO 0.19 0.12 0.56 -0.22 -0.69 0.00 0.00 174.62 174.58 2af2 s LEU 117 N 1.81 4.36 0.11 4.42 2.96 0.44 -0.08 118.68 132.69 2af2 s LEU 117 Ca 0.02 1.03 0.09 0.00 -0.22 0.00 0.00 54.13 55.05 2af2 s LEU 117 Cb -0.14 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.66 2af2 s LEU 117 CO -0.07 0.05 -0.22 0.54 -1.32 0.00 0.00 176.35 175.33 2af2 s VAL 118 N 0.18 1.81 0.38 1.68 0.11 -0.12 -0.98 120.40 123.45 2af2 s VAL 118 Ca 0.30 -1.60 0.08 0.00 -2.93 0.00 0.00 61.98 57.82 2af2 s VAL 118 Cb -0.17 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.02 2af2 s VAL 118 CO 0.15 -0.05 0.37 0.68 -3.33 0.00 0.00 175.10 172.92 2af2 s VAL 119 N -1.19 3.17 -0.06 2.04 -7.23 0.04 -1.53 120.40 115.64 2af2 s VAL 119 Ca 0.08 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2af2 s VAL 119 Cb -0.10 -3.11 0.02 0.00 0.56 0.00 0.00 36.38 33.75 2af2 s VAL 119 CO 0.05 -0.08 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.68 2af2 s HIS 120 N -2.37 1.10 -0.99 2.82 3.76 -0.11 -2.04 115.29 117.47 2af2 s HIS 120 Ca 0.46 -0.40 0.15 0.00 -0.15 0.00 0.00 55.06 55.11 2af2 s HIS 120 Cb -0.05 -0.90 0.62 0.00 1.11 0.00 0.00 32.58 33.36 2af2 s HIS 120 CO 0.28 -0.28 1.47 -0.85 -0.85 0.00 0.00 174.74 174.51 2af2 n GLU 121 N 4.17 0.01 -4.06 1.40 -0.00 -0.57 -3.54 120.64 118.04 2af2 n GLU 121 Ca -0.21 0.26 -0.22 0.00 -0.00 0.00 0.00 57.16 56.99 2af2 n GLU 121 Cb 0.51 -1.51 -0.05 0.00 -0.00 0.00 0.00 31.44 30.39 2af2 n GLU 121 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2af2 s LYS 122 N -3.01 2.69 0.34 3.44 3.01 -1.26 -4.96 119.74 120.00 2af2 s LYS 122 Ca 0.07 -1.25 -0.29 0.00 -1.01 0.00 0.00 55.97 53.49 2af2 s LYS 122 Cb 0.09 -2.42 -0.11 0.00 -1.01 0.00 0.00 37.83 34.39 2af2 s LYS 122 CO 0.27 0.27 1.41 0.00 0.51 0.00 0.00 175.35 177.80 2af2 s ALA 123 N -2.25 3.55 0.08 5.17 0.00 -0.90 -3.08 121.76 124.33 2af2 s ALA 123 Ca 0.35 1.41 0.06 0.00 0.00 0.00 0.00 51.96 53.78 2af2 s ALA 123 Cb -0.06 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 2af2 s ALA 123 CO 0.24 -0.84 -0.06 0.16 0.00 0.00 0.00 175.76 175.26 2af2 s ASP 124 N -0.23 4.63 -0.02 0.00 -4.77 -1.26 -4.66 116.67 110.36 2af2 s ASP 124 Ca 0.52 -0.28 0.20 0.00 -3.30 0.00 0.00 52.55 49.69 2af2 s ASP 124 Cb -0.43 -0.99 -0.27 0.00 -1.09 0.00 0.00 42.92 40.14 2af2 s ASP 124 CO 0.56 0.20 0.59 -0.67 0.70 0.00 0.00 175.17 176.55 2af2 n ASP 125 N 0.83 0.66 -2.96 2.11 2.03 -0.56 -4.99 116.55 113.67 2af2 n ASP 125 Ca -0.13 -0.40 -0.13 0.00 0.52 0.00 0.00 54.79 54.66 2af2 n ASP 125 Cb 0.52 1.53 0.01 0.00 -0.72 0.00 0.00 41.12 42.46 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 -1.88 -6.97 0.00 -2.67 4.77 -0.08 -4.09 117.00 106.08 2af2 n LEU 126 Ca -0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2af2 n LEU 126 Cb 0.42 -3.07 0.00 0.00 -2.33 0.00 0.00 43.42 38.45 2af2 n LEU 126 CO 0.40 -2.02 0.00 0.61 -1.33 0.00 0.00 177.39 175.05 2af2 n GLY 127 N -0.17 2.84 4.02 -0.72 0.00 -0.48 -4.53 105.19 106.16 2af2 n GLY 127 Ca 0.07 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 2af2 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s LYS 128 N 0.00 2.48 0.00 1.61 3.01 -1.26 -3.91 119.74 121.68 2af2 s LYS 128 Ca 0.00 -1.44 0.00 0.00 -1.01 0.00 0.00 55.97 53.52 2af2 s LYS 128 Cb 0.00 -2.67 0.00 0.00 -1.01 0.00 0.00 37.83 34.15 2af2 s LYS 128 CO 0.00 -0.66 0.00 0.41 0.51 0.00 0.00 175.35 175.61 2af2 n GLY 129 N -2.13 0.94 2.12 -3.33 0.00 -1.26 -4.62 105.19 96.91 2af2 n GLY 129 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.45 3.27 -0.02 0.00 -1.26 -4.96 105.19 102.67 2af2 n GLY 130 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2af2 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 131 N -2.10 1.08 0.02 1.61 2.20 -1.26 -5.08 114.94 111.41 2af2 s ASN 131 Ca 0.00 -1.57 -0.26 0.00 -0.94 0.00 0.00 52.86 50.09 2af2 s ASN 131 Cb 0.00 0.44 -0.17 0.00 -2.00 0.00 0.00 41.25 39.53 2af2 s ASN 131 CO 0.00 -0.93 1.30 -0.08 -2.94 0.00 0.00 177.10 174.45 2af2 h GLU 132 N 2.34 -0.46 -0.30 3.55 4.57 -2.01 -2.70 114.58 119.57 2af2 h GLU 132 Ca -0.31 0.03 0.09 0.00 -1.18 0.00 0.00 59.36 57.98 2af2 h GLU 132 Cb 1.24 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2af2 h GLU 132 CO 0.47 -0.16 0.30 0.93 -1.18 0.00 0.00 179.01 179.37 2af2 h GLU 133 N -0.76 0.00 -0.83 1.92 5.08 -1.98 -2.10 114.58 115.92 2af2 h GLU 133 Ca -0.05 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 2af2 h GLU 133 Cb 0.51 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2af2 h GLU 133 CO 0.08 0.00 0.54 0.66 -1.00 0.00 0.00 179.01 179.29 2af2 h SER 134 N 0.00 0.55 0.30 1.42 4.64 -1.78 -0.20 113.55 118.49 2af2 h SER 134 Ca 0.14 0.03 -0.27 0.00 -0.47 0.00 0.00 61.79 61.22 2af2 h SER 134 Cb 0.73 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.69 2af2 h SER 134 CO -0.00 0.29 -1.94 1.07 -0.87 0.00 0.00 176.83 175.38 2af2 n THR 135 N -4.52 1.29 0.02 2.95 5.66 -0.81 -1.40 114.28 117.45 2af2 n THR 135 Ca 0.16 -0.77 -0.01 0.00 -3.05 0.00 0.00 64.05 60.37 2af2 n THR 135 Cb 0.48 -0.65 -0.01 0.00 -1.55 0.00 0.00 70.33 68.60 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 0.00 -0.09 0.00 1.09 6.56 -1.19 -2.22 116.57 120.73 2af2 h LYS 136 Ca -0.34 0.01 -0.13 0.00 -1.06 0.00 0.00 60.65 59.13 2af2 h LYS 136 Cb 1.92 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 33.58 2af2 h LYS 136 CO 0.05 -0.06 -1.50 0.25 -2.06 0.00 0.00 179.45 176.13 2af2 n THR 137 N -3.38 0.95 0.00 -0.16 -2.24 -0.18 -4.57 114.28 104.70 2af2 n THR 137 Ca -0.01 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2af2 n THR 137 Cb 0.04 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 1.37 1.07 2.89 3.38 0.00 -0.81 -4.57 105.19 108.52 2af2 n GLY 138 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -1.83 0.03 1.61 4.05 -0.64 -0.91 115.26 117.57 2af2 n ASN 139 Ca 0.00 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.05 2af2 n ASN 139 Cb 0.00 -1.17 0.12 0.00 1.23 0.00 0.00 39.78 39.96 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 n ALA 140 N 1.00 1.00 0.00 5.20 0.00 -1.26 -4.66 120.51 121.79 2af2 n ALA 140 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2af2 n ALA 140 Cb 0.08 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.46 1.38 3.34 0.00 0.00 -1.26 -4.12 105.19 103.07 2af2 n GLY 141 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 2af2 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2af2 s SER 142 N 0.00 1.30 0.30 1.61 0.15 -1.26 -5.08 113.70 110.72 2af2 s SER 142 Ca 0.00 -1.64 0.01 0.00 0.70 0.00 0.00 55.95 55.02 2af2 s SER 142 Cb 0.00 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.89 2af2 s SER 142 CO 0.00 -1.11 0.07 0.54 1.20 0.00 0.00 173.24 173.94 2af2 n ARG 143 N -0.57 1.21 0.00 5.44 3.00 -1.26 -4.32 116.66 120.15 2af2 n ARG 143 Ca 0.05 -2.10 0.00 0.00 -0.01 0.00 0.00 57.85 55.79 2af2 n ARG 143 Cb 0.62 0.46 0.00 0.00 0.00 0.00 0.00 32.46 33.55 2af2 n ARG 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2af2 n LEU 144 N 0.00 0.00 -4.75 0.55 0.00 -0.87 -1.51 117.00 110.42 2af2 n LEU 144 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.61 2af2 n LEU 144 Cb 0.37 0.00 0.10 0.00 0.00 0.00 0.00 43.42 43.89 2af2 n LEU 144 CO 0.20 0.00 0.70 0.00 0.00 0.00 0.00 177.39 178.29 2af2 s ALA 145 N -1.00 2.14 0.13 1.96 0.00 -1.26 -4.68 121.76 119.05 2af2 s ALA 145 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 2af2 s ALA 145 Cb 0.00 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.81 2af2 s ALA 145 CO 0.00 -1.90 0.25 0.00 0.00 0.00 0.00 175.76 174.10 2af2 s GLY 147 N -2.91 -0.47 0.66 0.00 0.00 -0.15 -2.33 107.32 102.12 2af2 s GLY 147 Ca 0.11 0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.98 2af2 s GLY 147 CO -0.06 0.01 1.05 0.14 0.00 0.00 0.00 173.10 174.24 2af2 s VAL 148 N -3.78 4.30 -0.35 1.40 1.01 -1.26 -0.42 120.40 121.30 2af2 s VAL 148 Ca 0.03 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 2af2 s VAL 148 Cb -0.01 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.71 2af2 s VAL 148 CO -0.11 -0.98 0.20 -0.63 0.00 0.00 0.00 175.10 173.59 2af2 s ILE 149 N -3.17 4.79 0.44 2.22 1.01 -0.55 -4.22 121.20 121.72 2af2 s ILE 149 Ca 0.56 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2af2 s ILE 149 Cb -0.12 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 2af2 s ILE 149 CO 0.54 -0.09 0.03 0.61 0.00 0.00 0.00 174.94 176.03 2af2 n GLY 150 N 5.03 3.57 3.34 6.18 0.00 -0.34 -2.32 105.19 120.65 2af2 n GLY 150 Ca -0.13 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.25 2af2 n GLY 150 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2af2 s ILE 151 N -2.71 3.38 0.20 -0.61 -5.25 -1.26 -0.67 121.20 114.29 2af2 s ILE 151 Ca 0.04 -0.51 0.07 0.00 -0.99 0.00 0.00 60.65 59.26 2af2 s ILE 151 Cb 0.00 -2.51 -0.11 0.00 2.95 0.00 0.00 42.46 42.80 2af2 s ILE 151 CO 0.03 0.45 1.46 0.00 -1.79 0.00 0.00 174.94 175.09 2af2 h ALA 152 N 7.68 0.69 0.00 2.27 0.00 -1.89 -3.49 119.26 124.52 2af2 h ALA 152 Ca -0.37 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2af2 h ALA 152 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2af2 h ALA 152 CO 0.60 0.92 0.00 0.94 0.00 0.00 0.00 179.25 181.71