#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 4.27 -0.09 0.00 -1.32 0.30 -4.84 115.64 113.97 2af2 s THR 2 Ca 0.00 1.45 -0.21 0.00 -1.21 0.00 0.00 61.69 61.72 2af2 s THR 2 Cb 0.00 -4.24 -0.04 0.00 -1.51 0.00 0.00 72.50 66.72 2af2 s THR 2 CO 0.00 -0.46 0.59 -1.59 -2.21 0.00 0.00 174.62 170.95 2af2 s LYS 3 N 3.95 4.39 0.67 7.08 -2.85 -1.26 -1.03 119.74 130.69 2af2 s LYS 3 Ca 0.52 0.67 -0.02 0.00 -1.00 0.00 0.00 55.97 56.15 2af2 s LYS 3 Cb -0.15 -3.44 0.08 0.00 -2.06 0.00 0.00 37.83 32.26 2af2 s LYS 3 CO 0.20 0.11 0.94 0.00 0.10 0.00 0.00 175.35 176.69 2af2 s ALA 4 N 0.72 3.60 -0.06 0.59 0.00 -0.13 -0.83 121.76 125.66 2af2 s ALA 4 Ca 0.32 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 2af2 s ALA 4 Cb -0.16 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.80 2af2 s ALA 4 CO 0.14 -1.22 0.04 0.54 0.00 0.00 0.00 175.76 175.26 2af2 s VAL 5 N -3.06 0.09 -0.25 0.00 0.11 0.17 -2.67 120.40 114.79 2af2 s VAL 5 Ca 0.62 0.28 -0.06 0.00 -2.93 0.00 0.00 61.98 59.90 2af2 s VAL 5 Cb -0.08 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 2af2 s VAL 5 CO 0.43 0.19 0.03 0.00 -3.33 0.00 0.00 175.10 172.42 2af2 s ALA 6 N 2.09 3.00 -0.44 1.54 0.00 -0.55 -1.21 121.76 126.19 2af2 s ALA 6 Ca 0.05 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 2af2 s ALA 6 Cb -0.12 -1.95 0.12 0.00 0.00 0.00 0.00 23.12 21.16 2af2 s ALA 6 CO -0.04 -0.57 0.26 0.08 0.00 0.00 0.00 175.76 175.49 2af2 s VAL 7 N 1.53 3.61 -0.07 0.00 1.01 -1.13 -2.74 120.40 122.62 2af2 s VAL 7 Ca 0.05 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 59.85 2af2 s VAL 7 Cb -0.15 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2af2 s VAL 7 CO 0.01 -0.73 0.51 -0.76 0.00 0.00 0.00 175.10 174.13 2af2 s LEU 8 N 1.17 4.34 -0.03 3.92 1.02 -0.07 -3.69 118.68 125.35 2af2 s LEU 8 Ca 0.08 0.94 0.01 0.00 0.02 0.00 0.00 54.13 55.18 2af2 s LEU 8 Cb -0.24 -2.76 0.02 0.00 0.02 0.00 0.00 46.19 43.23 2af2 s LEU 8 CO -0.03 0.06 -0.04 -0.54 0.02 0.00 0.00 176.35 175.82 2af2 s LYS 9 N 0.21 0.61 0.00 1.70 1.02 -0.65 -1.05 119.74 121.58 2af2 s LYS 9 Ca 0.28 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.18 2af2 s LYS 9 Cb -0.16 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.50 2af2 s LYS 9 CO 0.13 -0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 2af2 n GLY 10 N 3.76 0.10 2.90 -3.33 0.00 -0.84 -3.18 105.19 104.60 2af2 n GLY 10 Ca -0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.60 0.60 0.05 1.61 1.11 -1.24 -4.99 116.67 113.21 2af2 s ASP 11 Ca 0.00 0.43 0.00 0.00 0.18 0.00 0.00 52.55 53.16 2af2 s ASP 11 Cb 0.00 0.45 0.00 0.00 1.07 0.00 0.00 42.92 44.44 2af2 s ASP 11 CO 0.00 -0.24 0.00 0.61 1.18 0.00 0.00 175.17 176.72 2af2 n GLY 12 N 5.34 0.63 0.06 0.21 0.00 -1.26 -0.77 105.19 109.39 2af2 n GLY 12 Ca -0.05 0.82 0.08 0.00 0.00 0.00 0.00 46.02 46.87 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 0.07 -3.07 1.61 -0.04 -1.26 -4.64 135.00 127.67 2af2 n PRO 13 Ca 0.00 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 2af2 n PRO 13 Cb 0.00 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 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 -3.15 4.86 0.20 0.52 1.01 0.05 -3.25 120.40 120.65 2af2 s VAL 14 Ca 0.04 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 2af2 s VAL 14 Cb 0.08 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2af2 s VAL 14 CO 0.27 -0.31 0.13 -1.10 0.00 0.00 0.00 175.10 174.08 2af2 s GLN 15 N 2.79 1.20 -0.20 2.72 1.11 -0.58 -1.99 119.66 124.70 2af2 s GLN 15 Ca 0.26 -1.63 -0.04 0.00 0.01 0.00 0.00 55.36 53.96 2af2 s GLN 15 Cb -0.14 0.26 0.09 0.00 -1.01 0.00 0.00 33.01 32.21 2af2 s GLN 15 CO 0.15 -0.39 0.22 0.20 0.01 0.00 0.00 175.29 175.48 2af2 s GLY 16 N -3.16 0.01 -0.16 3.09 0.00 -0.21 -1.08 107.32 105.81 2af2 s GLY 16 Ca 0.39 0.25 -0.08 0.00 0.00 0.00 0.00 44.72 45.27 2af2 s GLY 16 CO 0.12 2.13 0.12 -1.50 0.00 0.00 0.00 173.10 173.97 2af2 s ILE 17 N 2.32 5.35 -0.03 0.90 -1.16 -0.82 -0.89 121.20 126.86 2af2 s ILE 17 Ca 0.07 0.16 -0.01 0.00 -0.51 0.00 0.00 60.65 60.36 2af2 s ILE 17 Cb -0.16 -3.38 0.03 0.00 0.61 0.00 0.00 42.46 39.56 2af2 s ILE 17 CO -0.12 0.53 0.04 -0.63 -2.81 0.00 0.00 174.94 171.95 2af2 s ILE 18 N -0.28 -0.02 0.07 2.00 -1.09 -1.11 -1.18 121.20 119.59 2af2 s ILE 18 Ca 0.11 0.30 -0.17 0.00 -2.23 0.00 0.00 60.65 58.66 2af2 s ILE 18 Cb -0.12 -0.17 -0.06 0.00 -1.58 0.00 0.00 42.46 40.53 2af2 s ILE 18 CO 0.01 0.15 0.51 0.20 -1.23 0.00 0.00 174.94 174.58 2af2 s ASN 19 N 1.66 6.92 -0.39 3.58 0.01 -0.12 -1.48 114.94 125.13 2af2 s ASN 19 Ca -0.01 1.12 -0.02 0.00 -0.71 0.00 0.00 52.86 53.23 2af2 s ASN 19 Cb -0.13 -2.31 0.10 0.00 0.41 0.00 0.00 41.25 39.33 2af2 s ASN 19 CO -0.03 0.25 0.16 -0.36 -1.51 0.00 0.00 177.10 175.61 2af2 s PHE 20 N -1.19 3.56 -0.45 2.20 0.40 -1.09 -2.27 117.98 119.13 2af2 s PHE 20 Ca 0.30 -2.38 -0.26 0.00 -0.60 0.00 0.00 56.93 53.98 2af2 s PHE 20 Cb -0.17 -3.03 0.03 0.00 0.51 0.00 0.00 43.02 40.35 2af2 s PHE 20 CO 0.17 -0.94 0.97 -2.00 0.70 0.00 0.00 175.22 174.12 2af2 s GLU 21 N 1.14 3.62 -0.02 0.44 2.56 0.32 -0.95 118.70 125.80 2af2 s GLU 21 Ca 0.07 0.30 0.06 0.00 0.00 0.00 0.00 54.97 55.40 2af2 s GLU 21 Cb -0.22 -3.90 -0.02 0.00 2.00 0.00 0.00 34.13 31.99 2af2 s GLU 21 CO -0.04 -1.22 -0.22 -1.14 -0.56 0.00 0.00 175.26 172.09 2af2 s GLN 22 N 3.86 1.85 -0.08 4.30 2.00 -0.20 -1.32 119.66 130.06 2af2 s GLN 22 Ca 0.39 -0.78 0.17 0.00 -2.00 0.00 0.00 55.36 53.14 2af2 s GLN 22 Cb -0.10 -1.74 -0.23 0.00 0.80 0.00 0.00 33.01 31.74 2af2 s GLN 22 CO 0.26 0.44 0.45 0.36 -0.50 0.00 0.00 175.29 176.30 2af2 n LYS 23 N 2.63 0.65 0.00 1.67 0.00 -1.26 -0.35 118.16 121.51 2af2 n LYS 23 Ca -0.16 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2af2 n LYS 23 Cb 0.52 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.89 2af2 n LYS 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2af2 n GLU 24 N -2.82 0.00 0.00 -1.58 -0.00 -1.26 -4.65 120.64 110.32 2af2 n GLU 24 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.95 2af2 n GLU 24 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.44 2af2 n GLU 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2af2 n SER 25 N 0.00 0.00 0.00 -1.84 3.41 -1.26 -4.85 113.62 109.08 2af2 n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2af2 n SER 25 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2af2 n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2af2 n ASN 26 N 0.00 1.08 -4.23 4.04 3.02 -1.26 -3.74 115.26 114.17 2af2 n ASN 26 Ca 0.00 -0.17 -0.29 0.00 -0.03 0.00 0.00 54.58 54.09 2af2 n ASN 26 Cb 0.00 0.55 0.20 0.00 -0.61 0.00 0.00 39.78 39.92 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 -0.77 1.60 0.57 7.41 0.00 -1.26 -4.69 107.32 110.17 2af2 s GLY 27 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.82 2af2 s GLY 27 CO 0.00 -0.01 1.01 2.56 0.00 0.00 0.00 173.10 176.66 2af2 s PRO 28 N -5.32 3.76 -0.05 2.90 0.04 -1.26 -4.53 135.00 130.53 2af2 s PRO 28 Ca 0.69 0.85 0.05 0.00 0.04 0.00 0.00 61.00 62.63 2af2 s PRO 28 Cb -0.12 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2af2 s PRO 28 CO 0.56 -0.43 -0.22 0.08 0.04 0.00 0.00 177.00 177.02 2af2 s VAL 29 N -2.91 2.36 -0.21 -0.36 1.01 0.02 -4.60 120.40 115.72 2af2 s VAL 29 Ca 0.57 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 2af2 s VAL 29 Cb -0.11 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2af2 s VAL 29 CO 0.43 0.57 0.44 -0.75 0.00 0.00 0.00 175.10 175.79 2af2 s LYS 30 N -0.34 4.16 -0.05 2.72 2.20 -0.44 -0.94 119.74 127.05 2af2 s LYS 30 Ca 0.02 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.92 2af2 s LYS 30 Cb -0.12 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2af2 s LYS 30 CO 0.02 -0.10 -0.16 0.08 -0.36 0.00 0.00 175.35 174.82 2af2 s VAL 31 N 1.51 1.40 0.12 4.02 1.01 0.11 -0.52 120.40 128.06 2af2 s VAL 31 Ca 0.20 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 2af2 s VAL 31 Cb -0.15 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.06 2af2 s VAL 31 CO 0.09 0.41 0.52 -1.66 0.00 0.00 0.00 175.10 174.46 2af2 s TRP 32 N 0.24 -0.42 0.00 5.22 -2.14 -0.96 -0.27 118.94 120.61 2af2 s TRP 32 Ca -0.08 0.23 0.00 0.00 2.66 0.00 0.00 56.10 58.91 2af2 s TRP 32 Cb -0.13 0.42 0.00 0.00 -3.10 0.00 0.00 33.47 30.66 2af2 s TRP 32 CO 0.03 -0.76 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 2af2 n GLY 33 N -0.16 -0.09 3.28 3.67 0.00 -0.98 -0.94 105.19 109.96 2af2 n GLY 33 Ca -0.17 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 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 0.00 3.76 -0.42 1.61 1.04 -0.32 -0.20 113.70 119.17 2af2 s SER 34 Ca 0.00 -0.45 -0.06 0.00 0.48 0.00 0.00 55.95 55.92 2af2 s SER 34 Cb 0.00 -1.58 0.10 0.00 0.10 0.00 0.00 66.02 64.63 2af2 s SER 34 CO 0.00 0.08 0.24 -0.63 0.98 0.00 0.00 173.24 173.91 2af2 s ILE 35 N 0.83 3.78 0.24 -1.02 -1.09 0.32 -1.95 121.20 122.30 2af2 s ILE 35 Ca -0.05 -1.74 0.10 0.00 -2.23 0.00 0.00 60.65 56.74 2af2 s ILE 35 Cb -0.15 -3.44 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2af2 s ILE 35 CO -0.00 -0.61 -0.11 -1.59 -1.23 0.00 0.00 174.94 171.39 2af2 s LYS 36 N 1.29 1.96 0.00 2.79 -2.85 -0.24 -1.07 119.74 121.62 2af2 s LYS 36 Ca 0.05 -1.48 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 2af2 s LYS 36 Cb -0.23 -2.01 0.00 0.00 -2.06 0.00 0.00 37.83 33.52 2af2 s LYS 36 CO -0.01 0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.23 2af2 n GLY 37 N -0.40 0.77 3.91 0.59 0.00 0.43 -1.53 105.19 108.96 2af2 n GLY 37 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 2.84 0.18 0.99 1.43 -0.68 -4.78 118.68 118.66 2af2 s LEU 38 Ca 0.00 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 2af2 s LEU 38 Cb 0.00 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 2af2 s LEU 38 CO 0.00 -1.52 0.30 0.28 0.23 0.00 0.00 176.35 175.64 2af2 s THR 39 N -3.29 5.25 0.82 5.49 -1.32 -1.26 -4.38 115.64 116.94 2af2 s THR 39 Ca 0.59 -0.81 -0.12 0.00 -1.21 0.00 0.00 61.69 60.13 2af2 s THR 39 Cb -0.11 -3.75 0.09 0.00 -1.51 0.00 0.00 72.50 67.22 2af2 s THR 39 CO 0.47 -0.17 1.17 -1.83 -2.21 0.00 0.00 174.62 172.05 2af2 s GLU 40 N -3.48 1.63 0.09 7.08 -1.05 -1.26 -4.61 118.70 117.11 2af2 s GLU 40 Ca 0.34 1.63 0.00 0.00 -0.15 0.00 0.00 54.97 56.79 2af2 s GLU 40 Cb -0.10 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 31.80 2af2 s GLU 40 CO 0.28 -2.19 0.00 0.41 0.95 0.00 0.00 175.26 174.71 2af2 n GLY 41 N 0.19 -3.15 3.79 -3.83 0.00 -0.36 -4.85 105.19 96.98 2af2 n GLY 41 Ca 0.12 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 3.78 -0.09 0.99 1.02 -1.26 -0.61 118.68 122.51 2af2 s LEU 42 Ca 0.00 2.03 -0.04 0.00 0.02 0.00 0.00 54.13 56.15 2af2 s LEU 42 Cb 0.00 -4.57 0.05 0.00 0.02 0.00 0.00 46.19 41.69 2af2 s LEU 42 CO 0.00 -1.01 0.18 -1.00 0.02 0.00 0.00 176.35 174.54 2af2 s HIS 43 N -1.92 -0.23 0.59 0.29 3.76 -0.41 -1.67 115.29 115.70 2af2 s HIS 43 Ca 0.69 0.64 -0.20 0.00 -0.15 0.00 0.00 55.06 56.05 2af2 s HIS 43 Cb -0.20 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 2af2 s HIS 43 CO 0.24 -0.24 1.20 0.41 -0.85 0.00 0.00 174.74 175.50 2af2 n GLY 44 N 4.80 0.32 2.84 -2.22 0.00 -1.12 -0.06 105.19 109.75 2af2 n GLY 44 Ca -0.15 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2af2 n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2af2 s PHE 45 N -1.39 -0.69 -0.04 1.61 5.36 -1.23 -1.38 117.98 120.23 2af2 s PHE 45 Ca 0.76 -0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 2af2 s PHE 45 Cb -0.41 -0.30 0.00 0.00 -0.34 0.00 0.00 43.02 41.97 2af2 s PHE 45 CO 0.46 -0.97 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.13 2af2 s HIS 46 N 2.21 1.21 -0.38 10.12 3.76 -0.60 -2.88 115.29 128.73 2af2 s HIS 46 Ca 0.11 -0.35 -0.25 0.00 -0.15 0.00 0.00 55.06 54.43 2af2 s HIS 46 Cb -0.13 -0.86 0.01 0.00 1.11 0.00 0.00 32.58 32.71 2af2 s HIS 46 CO -0.25 -0.15 0.87 0.14 -0.85 0.00 0.00 174.74 174.51 2af2 s VAL 47 N 0.28 4.63 0.83 -0.90 -7.23 0.76 -0.79 120.40 117.99 2af2 s VAL 47 Ca -0.06 1.04 -0.12 0.00 -1.81 0.00 0.00 61.98 61.03 2af2 s VAL 47 Cb -0.11 -4.30 0.12 0.00 0.56 0.00 0.00 36.38 32.65 2af2 s VAL 47 CO 0.01 -0.53 1.18 -1.00 -0.31 0.00 0.00 175.10 174.46 2af2 s HIS 48 N 3.36 2.42 0.22 2.82 3.76 0.40 -4.08 115.29 124.19 2af2 s HIS 48 Ca 0.36 0.49 -0.30 0.00 -0.15 0.00 0.00 55.06 55.45 2af2 s HIS 48 Cb -0.12 -3.62 -0.10 0.00 1.11 0.00 0.00 32.58 29.85 2af2 s HIS 48 CO 0.19 -1.99 1.48 -1.83 -0.85 0.00 0.00 174.74 171.74 2af2 s GLU 49 N -5.59 4.25 0.64 1.40 1.03 -1.26 -4.35 118.70 114.82 2af2 s GLU 49 Ca 0.66 2.32 0.00 0.00 0.03 0.00 0.00 54.97 57.98 2af2 s GLU 49 Cb -0.08 -3.13 0.00 0.00 -0.80 0.00 0.00 34.13 30.12 2af2 s GLU 49 CO 0.49 -0.48 0.00 1.19 -1.33 0.00 0.00 175.26 175.13 2af2 n PHE 50 N 2.85 -2.59 0.24 4.83 3.72 -1.26 -4.60 117.46 120.65 2af2 n PHE 50 Ca 0.09 0.77 0.06 0.00 -0.05 0.00 0.00 57.45 58.32 2af2 n PHE 50 Cb 0.40 -1.37 0.09 0.00 -0.94 0.00 0.00 39.48 37.66 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 -2.08 0.82 3.69 1.37 0.00 -1.03 -0.77 105.19 107.20 2af2 n GLY 51 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2af2 n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2af2 s ASP 52 N -0.98 7.00 -0.34 1.61 2.15 -1.26 -4.81 116.67 120.04 2af2 s ASP 52 Ca 0.17 1.95 0.14 0.00 0.43 0.00 0.00 52.55 55.24 2af2 s ASP 52 Cb 0.11 -2.56 0.42 0.00 -0.30 0.00 0.00 42.92 40.59 2af2 s ASP 52 CO 0.15 -0.59 1.42 -0.46 -0.17 0.00 0.00 175.17 175.52 2af2 n ASN 53 N 4.90 -0.98 -0.01 -0.34 0.23 -1.26 -3.97 115.26 113.82 2af2 n ASN 53 Ca 0.11 -2.27 -0.00 0.00 -0.53 0.00 0.00 54.58 51.89 2af2 n ASN 53 Cb 0.46 0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 38.66 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 -1.14 0.15 0.76 5.53 -2.24 -1.26 -4.39 114.28 111.69 2af2 n THR 54 Ca -0.10 -0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 2af2 n THR 54 Cb 0.86 -0.34 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.92 2.77 -0.57 6.98 0.00 -1.26 -4.99 120.51 121.51 2af2 n ALA 55 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2af2 n ALA 55 Cb 0.40 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.21 3.29 0.09 0.00 0.00 -1.26 -1.72 105.19 105.80 2af2 n GLY 56 Ca 0.05 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.09 1.96 0.00 0.00 -1.04 -0.70 -4.43 114.28 107.98 2af2 n THR 58 Ca 0.04 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2af2 n THR 58 Cb 0.30 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 2af2 n THR 58 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2af2 n SER 59 N 1.42 0.00 -4.54 8.00 7.64 -1.26 -4.66 113.62 120.22 2af2 n SER 59 Ca 0.01 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.43 2af2 n SER 59 Cb 0.50 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 n ALA 60 N -3.00 1.53 -1.13 -0.43 0.00 -1.26 -4.97 120.51 111.26 2af2 n ALA 60 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2af2 n ALA 60 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 19.45 16.66 2af2 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 61 N 6.07 1.43 3.90 0.00 0.00 -1.26 -4.87 105.19 110.46 2af2 n GLY 61 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 2af2 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 62 N 0.00 -1.06 -3.07 1.61 -0.04 -1.26 -5.05 135.00 126.13 2af2 n PRO 62 Ca 0.00 -2.22 -0.40 0.00 -0.04 0.00 0.00 63.50 60.84 2af2 n PRO 62 Cb 0.00 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.18 2af2 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2af2 s HIS 63 N -3.76 3.37 0.01 0.54 0.09 -1.26 -4.80 115.29 109.48 2af2 s HIS 63 Ca 0.74 0.98 -0.11 0.00 -0.00 0.00 0.00 55.06 56.67 2af2 s HIS 63 Cb -0.02 -2.85 -0.06 0.00 -0.00 0.00 0.00 32.58 29.65 2af2 s HIS 63 CO 0.51 -0.21 0.29 0.34 -0.00 0.00 0.00 174.74 175.68 2af2 n PHE 64 N 5.17 0.13 -2.26 1.40 7.35 -1.26 -4.92 117.46 123.06 2af2 n PHE 64 Ca -0.00 0.31 -0.36 0.00 -0.76 0.00 0.00 57.45 56.64 2af2 n PHE 64 Cb 0.49 -0.62 0.02 0.00 0.35 0.00 0.00 39.48 39.72 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 0.48 6.62 0.27 -2.13 3.02 -1.26 -4.26 115.26 118.00 2af2 n ASN 65 Ca 0.06 -3.77 0.13 0.00 -0.03 0.00 0.00 54.58 50.97 2af2 n ASN 65 Cb 0.03 -0.91 0.78 0.00 -0.61 0.00 0.00 39.78 39.07 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 3.13 0.00 -0.03 3.52 0.13 -1.95 0.20 132.00 137.00 2af2 h PRO 66 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.60 2af2 h PRO 66 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 2af2 h PRO 66 CO 1.21 0.08 -0.05 1.28 -0.23 0.00 0.00 178.00 180.29 2af2 n LEU 67 N -3.76 2.83 -2.30 1.56 4.77 -1.26 -5.04 117.00 113.80 2af2 n LEU 67 Ca -0.02 -0.95 -0.07 0.00 -0.03 0.00 0.00 56.01 54.94 2af2 n LEU 67 Cb 0.18 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2af2 n LEU 67 CO 0.29 0.48 0.02 -0.24 -1.33 0.00 0.00 177.39 176.61 2af2 n SER 68 N 1.15 -3.95 -3.52 -1.43 2.88 0.06 -5.06 113.62 103.75 2af2 n SER 68 Ca 0.14 -0.33 -0.14 0.00 -1.33 0.00 0.00 58.87 57.21 2af2 n SER 68 Cb 0.57 -2.72 -0.06 0.00 -0.75 0.00 0.00 64.21 61.26 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 -3.77 1.72 1.07 -1.46 3.03 -1.26 -5.14 118.95 113.14 2af2 s ARG 69 Ca 0.19 -1.71 -0.15 0.00 2.03 0.00 0.00 55.73 56.10 2af2 s ARG 69 Cb -0.03 0.40 0.22 0.00 -1.03 0.00 0.00 34.95 34.52 2af2 s ARG 69 CO 0.35 -0.68 1.11 0.21 -1.13 0.00 0.00 175.30 175.16 2af2 s LYS 70 N -3.43 -0.17 0.53 3.89 2.20 -1.26 -4.71 119.74 116.79 2af2 s LYS 70 Ca 0.32 0.21 -0.20 0.00 -0.36 0.00 0.00 55.97 55.94 2af2 s LYS 70 Cb 0.01 -1.69 -0.06 0.00 -1.51 0.00 0.00 37.83 34.58 2af2 s LYS 70 CO 0.19 -3.07 1.15 -1.58 -0.36 0.00 0.00 175.35 171.68 2af2 s HIS 71 N -3.06 2.66 -2.14 4.03 5.65 -0.61 -2.52 115.29 119.30 2af2 s HIS 71 Ca 0.68 1.54 0.00 0.00 0.25 0.00 0.00 55.06 57.52 2af2 s HIS 71 Cb -0.14 -3.34 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 2af2 s HIS 71 CO 0.56 -1.67 0.00 0.41 -0.65 0.00 0.00 174.74 173.40 2af2 n GLY 72 N 0.27 -0.57 0.00 1.59 0.00 -1.26 -3.22 105.19 101.99 2af2 n GLY 72 Ca 0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 2.22 0.00 -0.02 0.00 -0.30 -4.72 105.19 102.38 2af2 n GLY 73 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.42 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2af2 n PRO 74 N 0.00 0.80 0.00 1.61 -0.02 -1.26 -4.25 135.00 131.88 2af2 n PRO 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2af2 n PRO 74 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2af2 n LYS 75 N -1.00 0.00 -3.22 -0.52 -0.00 -1.26 -5.11 118.16 107.05 2af2 n LYS 75 Ca 0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.20 2af2 n LYS 75 Cb 0.09 -0.25 -0.04 0.00 -0.00 0.00 0.00 35.03 34.83 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2af2 s ASP 76 N -1.15 6.53 -0.14 -5.58 2.15 -1.18 -5.05 116.67 112.24 2af2 s ASP 76 Ca 0.00 0.91 0.18 0.00 0.43 0.00 0.00 52.55 54.07 2af2 s ASP 76 Cb 0.00 -2.22 -0.26 0.00 -0.30 0.00 0.00 42.92 40.14 2af2 s ASP 76 CO 0.00 -0.22 0.24 1.21 -0.17 0.00 0.00 175.17 176.23 2af2 n GLU 77 N -0.80 0.68 -0.05 4.34 2.13 -1.26 -1.15 120.64 124.53 2af2 n GLU 77 Ca 0.00 -0.01 -0.10 0.00 0.66 0.00 0.00 57.16 57.71 2af2 n GLU 77 Cb 0.53 -1.56 -0.09 0.00 0.27 0.00 0.00 31.44 30.60 2af2 n GLU 77 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2af2 h GLU 78 N 0.00 -0.02 -4.37 5.31 4.11 -1.92 -3.46 114.58 114.23 2af2 h GLU 78 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2af2 h GLU 78 Cb 1.95 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2af2 h GLU 78 CO 0.03 0.64 -0.91 -2.13 0.07 0.00 0.00 179.01 176.71 2af2 n ARG 79 N -4.70 -5.33 -1.73 1.06 0.63 -1.25 -4.92 116.66 100.42 2af2 n ARG 79 Ca -0.07 3.75 -0.40 0.00 -0.92 0.00 0.00 57.85 60.21 2af2 n ARG 79 Cb 0.33 -4.11 0.02 0.00 0.45 0.00 0.00 32.46 29.14 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 1.95 2.41 0.27 -0.14 8.25 -1.05 -4.88 115.22 122.04 2af2 n HIS 80 Ca 0.00 0.46 0.17 0.00 -0.26 0.00 0.00 57.72 58.09 2af2 n HIS 80 Cb 0.00 -2.41 0.93 0.00 1.12 0.00 0.00 29.99 29.62 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 0.38 -0.03 1.59 2.07 -1.92 -1.94 116.25 118.50 2af2 h VAL 81 Ca -0.50 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2af2 h VAL 81 Cb 1.28 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2af2 h VAL 81 CO 0.60 0.00 0.01 0.61 0.02 0.00 0.00 177.57 178.81 2af2 n GLY 82 N -1.31 1.75 2.90 2.17 0.00 -1.26 -4.80 105.19 104.64 2af2 n GLY 82 Ca -0.01 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 0.28 3.69 -0.78 1.61 1.01 -0.73 -0.17 116.67 121.59 2af2 s ASP 83 Ca 0.02 -1.14 0.02 0.00 0.71 0.00 0.00 52.55 52.17 2af2 s ASP 83 Cb 0.02 -1.07 0.33 0.00 1.01 0.00 0.00 42.92 43.21 2af2 s ASP 83 CO 0.01 -0.26 1.36 0.00 0.21 0.00 0.00 175.17 176.49 2af2 n LEU 84 N 4.74 5.81 0.00 1.23 -0.00 -1.14 -4.95 117.00 122.70 2af2 n LEU 84 Ca -0.11 -5.53 0.00 0.00 -0.00 0.00 0.00 56.01 50.37 2af2 n LEU 84 Cb 0.44 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2af2 n LEU 84 CO 0.17 2.21 0.00 0.61 -0.00 0.00 0.00 177.39 180.38 2af2 n GLY 85 N -0.18 -0.35 3.04 1.47 0.00 -1.26 -4.88 105.19 103.03 2af2 n GLY 85 Ca 0.39 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2af2 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 86 N -4.00 0.72 -0.43 1.61 2.20 -1.26 -3.50 114.94 110.27 2af2 s ASN 86 Ca 0.00 -0.51 -0.12 0.00 -0.94 0.00 0.00 52.86 51.28 2af2 s ASN 86 Cb 0.00 0.04 0.06 0.00 -2.00 0.00 0.00 41.25 39.35 2af2 s ASN 86 CO 0.00 -0.21 0.30 0.68 -2.94 0.00 0.00 177.10 174.93 2af2 s VAL 87 N -1.33 4.75 -0.35 3.54 -7.23 0.91 -4.84 120.40 115.85 2af2 s VAL 87 Ca -0.11 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 2af2 s VAL 87 Cb -0.10 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2af2 s VAL 87 CO 0.00 -0.46 0.41 -0.89 -0.31 0.00 0.00 175.10 173.85 2af2 s THR 88 N 1.55 5.12 0.29 5.32 2.01 -1.26 -1.29 115.64 127.38 2af2 s THR 88 Ca 0.03 0.09 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 2af2 s THR 88 Cb -0.22 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 2af2 s THR 88 CO 0.05 -0.16 0.57 0.00 -0.69 0.00 0.00 174.62 174.39 2af2 s ALA 89 N 2.13 3.60 0.65 7.40 0.00 0.22 -4.31 121.76 131.45 2af2 s ALA 89 Ca 0.14 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2af2 s ALA 89 Cb -0.16 -2.34 0.10 0.00 0.00 0.00 0.00 23.12 20.72 2af2 s ALA 89 CO 0.12 0.26 0.90 0.34 0.00 0.00 0.00 175.76 177.38 2af2 s ASP 90 N -3.07 4.70 0.46 0.00 2.15 0.28 -1.23 116.67 119.96 2af2 s ASP 90 Ca 0.45 -0.46 0.29 0.00 0.43 0.00 0.00 52.55 53.25 2af2 s ASP 90 Cb -0.11 -0.04 1.00 0.00 -0.30 0.00 0.00 42.92 43.47 2af2 s ASP 90 CO 0.29 -1.60 1.83 0.07 -0.17 0.00 0.00 175.17 175.59 2af2 h LYS 91 N -0.22 0.00 -0.40 4.34 2.10 -1.94 -2.14 116.57 118.30 2af2 h LYS 91 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2af2 h LYS 91 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2af2 h LYS 91 CO 0.42 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 2af2 n ASP 92 N -2.92 0.40 0.00 7.07 9.92 -1.26 -4.82 116.55 124.94 2af2 n ASP 92 Ca 0.02 -1.54 0.00 0.00 -0.53 0.00 0.00 54.79 52.74 2af2 n ASP 92 Cb 0.37 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 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 0.19 0.53 2.94 0.44 0.00 -0.81 -4.89 105.19 103.59 2af2 n GLY 93 Ca 0.00 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 0.57 -0.46 1.61 0.11 -1.19 -0.43 120.40 118.60 2af2 s VAL 94 Ca 0.00 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 2af2 s VAL 94 Cb 0.00 -0.54 0.09 0.00 -1.53 0.00 0.00 36.38 34.40 2af2 s VAL 94 CO 0.00 0.20 0.36 0.00 -3.33 0.00 0.00 175.10 172.33 2af2 s ALA 95 N 0.41 3.46 -0.44 1.54 0.00 -0.23 -0.56 121.76 125.94 2af2 s ALA 95 Ca -0.05 -2.23 -0.19 0.00 0.00 0.00 0.00 51.96 49.49 2af2 s ALA 95 Cb -0.09 -2.93 0.03 0.00 0.00 0.00 0.00 23.12 20.13 2af2 s ALA 95 CO 0.00 -1.76 0.53 0.34 0.00 0.00 0.00 175.76 174.87 2af2 s ASP 96 N 2.58 6.24 0.25 0.00 2.15 -1.26 -0.52 116.67 126.10 2af2 s ASP 96 Ca 0.04 -0.61 -0.04 0.00 0.43 0.00 0.00 52.55 52.37 2af2 s ASP 96 Cb -0.25 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.06 2af2 s ASP 96 CO 0.04 -0.69 0.49 0.54 -0.17 0.00 0.00 175.17 175.39 2af2 s VAL 97 N 2.41 5.08 -0.15 1.11 0.11 0.72 -4.94 120.40 124.73 2af2 s VAL 97 Ca 0.16 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.11 2af2 s VAL 97 Cb -0.16 -3.71 0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2af2 s VAL 97 CO 0.15 -0.23 0.35 -0.94 -3.33 0.00 0.00 175.10 171.10 2af2 s SER 98 N -3.04 -0.22 0.06 3.54 1.04 -1.26 -2.33 113.70 111.50 2af2 s SER 98 Ca 0.42 0.77 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 2af2 s SER 98 Cb -0.11 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.80 2af2 s SER 98 CO 0.29 -0.21 0.13 -0.63 0.98 0.00 0.00 173.24 173.80 2af2 s ILE 99 N 1.85 0.15 -0.10 -1.02 1.01 0.63 -5.01 121.20 118.70 2af2 s ILE 99 Ca -0.06 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.30 2af2 s ILE 99 Cb -0.10 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.20 2af2 s ILE 99 CO -0.11 -0.68 0.26 -0.70 0.00 0.00 0.00 174.94 173.71 2af2 s GLU 100 N -3.38 0.27 -0.13 2.79 2.12 -1.26 0.09 118.70 119.20 2af2 s GLU 100 Ca 0.01 0.44 -0.22 0.00 0.36 0.00 0.00 54.97 55.56 2af2 s GLU 100 Cb 0.03 0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.51 2af2 s GLU 100 CO -0.08 -0.09 0.55 0.34 -0.54 0.00 0.00 175.26 175.44 2af2 s ASP 101 N 0.60 -0.53 -0.42 -1.70 -1.08 -0.12 -4.99 116.67 108.44 2af2 s ASP 101 Ca -0.04 0.81 0.07 0.00 -0.52 0.00 0.00 52.55 52.87 2af2 s ASP 101 Cb -0.05 0.81 0.43 0.00 -1.46 0.00 0.00 42.92 42.64 2af2 s ASP 101 CO -0.03 -0.37 1.10 -1.54 0.52 0.00 0.00 175.17 174.85 2af2 n SER 102 N 1.93 4.37 0.00 -0.34 3.41 -1.26 -0.80 113.62 120.93 2af2 n SER 102 Ca -0.17 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 2af2 n SER 102 Cb 0.56 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.45 0.00 -4.01 -3.33 3.14 -1.26 -5.01 118.33 107.41 2af2 n VAL 103 Ca 0.36 -0.47 -0.09 0.00 -2.96 0.00 0.00 64.34 61.18 2af2 n VAL 103 Cb 0.70 1.03 -0.08 0.00 -1.06 0.00 0.00 33.84 34.43 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 -0.34 0.11 0.19 1.55 -0.00 -1.26 -4.98 121.20 116.46 2af2 s ILE 104 Ca 0.00 -1.53 -0.19 0.00 -0.00 0.00 0.00 60.65 58.92 2af2 s ILE 104 Cb 0.00 -1.77 0.04 0.00 -0.00 0.00 0.00 42.46 40.73 2af2 s ILE 104 CO 0.00 -0.48 0.56 -0.55 -0.00 0.00 0.00 174.94 174.47 2af2 s SER 105 N -2.96 -0.33 -1.32 4.36 0.15 -1.26 -4.40 113.70 107.93 2af2 s SER 105 Ca 0.16 -0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.31 2af2 s SER 105 Cb 0.05 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2af2 s SER 105 CO -0.03 -1.06 2.35 0.18 1.20 0.00 0.00 173.24 175.89 2af2 n LEU 106 N -0.36 6.63 -4.00 3.45 4.32 -1.25 -4.02 117.00 121.79 2af2 n LEU 106 Ca -0.11 -3.83 -0.31 0.00 -0.02 0.00 0.00 56.01 51.73 2af2 n LEU 106 Cb 0.63 -1.47 -0.15 0.00 -1.62 0.00 0.00 43.42 40.80 2af2 n LEU 106 CO 0.16 1.03 -0.38 -0.44 -1.22 0.00 0.00 177.39 176.54 2af2 s SER 107 N 3.29 4.49 0.23 -1.43 0.01 -1.25 -4.84 113.70 114.20 2af2 s SER 107 Ca 0.54 -1.78 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2af2 s SER 107 Cb 0.15 -1.48 0.00 0.00 0.21 0.00 0.00 66.02 64.90 2af2 s SER 107 CO -0.04 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2af2 n GLY 108 N 4.41 0.38 0.78 3.44 0.00 -1.26 -3.39 105.19 109.56 2af2 n GLY 108 Ca -0.04 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.14 2af2 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2af2 n ASP 109 N 1.59 3.22 0.00 1.61 2.03 -1.26 -4.52 116.55 119.23 2af2 n ASP 109 Ca 0.00 -2.13 0.00 0.00 0.52 0.00 0.00 54.79 53.18 2af2 n ASP 109 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 0.55 0.00 0.00 -0.67 -0.00 -1.25 -4.83 115.22 109.01 2af2 n HIS 110 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2af2 n HIS 110 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2af2 n HIS 110 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2af2 n SER 111 N 0.00 0.00 -0.23 0.41 2.88 -1.22 -4.93 113.62 110.53 2af2 n SER 111 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2af2 n SER 111 Cb 0.01 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.49 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2af2 n ILE 112 N -0.22 0.43 -4.18 2.46 -0.00 -1.26 -4.93 119.36 111.67 2af2 n ILE 112 Ca 0.00 -0.50 -0.35 0.00 -0.00 0.00 0.00 62.75 61.90 2af2 n ILE 112 Cb 0.00 0.52 -0.08 0.00 -0.00 0.00 0.00 39.64 40.08 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2af2 s ILE 113 N -0.60 4.75 0.00 7.28 -1.09 -1.26 -4.47 121.20 125.80 2af2 s ILE 113 Ca 0.05 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 2af2 s ILE 113 Cb 0.05 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2af2 s ILE 113 CO 0.01 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 2af2 n GLY 114 N 1.91 0.69 4.02 6.18 0.00 0.55 -3.95 105.19 114.59 2af2 n GLY 114 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 2af2 n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2af2 s ARG 115 N -0.19 2.44 0.02 1.61 3.52 -1.25 -2.45 118.95 122.64 2af2 s ARG 115 Ca 0.00 -1.55 0.08 0.00 -0.13 0.00 0.00 55.73 54.13 2af2 s ARG 115 Cb 0.00 -2.66 -0.03 0.00 -1.56 0.00 0.00 34.95 30.71 2af2 s ARG 115 CO 0.00 -0.70 -0.23 0.99 -0.81 0.00 0.00 175.30 174.55 2af2 s THR 116 N -2.59 2.35 -0.00 4.11 2.01 0.05 -1.06 115.64 120.50 2af2 s THR 116 Ca 0.59 -1.22 0.07 0.00 0.31 0.00 0.00 61.69 61.44 2af2 s THR 116 Cb -0.07 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2af2 s THR 116 CO 0.37 0.43 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.30 2af2 s LEU 117 N -1.08 2.37 -0.04 4.42 1.98 -0.34 -0.46 118.68 125.54 2af2 s LEU 117 Ca 0.12 -0.41 0.06 0.00 -2.89 0.00 0.00 54.13 51.01 2af2 s LEU 117 Cb -0.10 -1.43 -0.02 0.00 0.66 0.00 0.00 46.19 45.30 2af2 s LEU 117 CO 0.02 0.30 -0.22 0.54 -1.89 0.00 0.00 176.35 175.10 2af2 s VAL 118 N -0.75 2.39 -0.12 1.68 0.11 0.03 -2.85 120.40 120.90 2af2 s VAL 118 Ca 0.12 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2af2 s VAL 118 Cb -0.10 -1.87 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 2af2 s VAL 118 CO 0.01 0.58 -0.07 0.54 -3.33 0.00 0.00 175.10 172.83 2af2 s VAL 119 N -0.56 3.61 0.23 2.04 0.11 -1.21 -1.56 120.40 123.07 2af2 s VAL 119 Ca 0.08 -0.48 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 2af2 s VAL 119 Cb -0.11 -2.53 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 2af2 s VAL 119 CO 0.00 0.54 0.35 -1.00 -3.33 0.00 0.00 175.10 171.67 2af2 s HIS 120 N -0.07 3.45 0.17 1.54 3.76 -0.48 -2.76 115.29 120.91 2af2 s HIS 120 Ca 0.00 -0.00 -0.14 0.00 -0.15 0.00 0.00 55.06 54.77 2af2 s HIS 120 Cb -0.13 -1.58 0.05 0.00 1.11 0.00 0.00 32.58 32.02 2af2 s HIS 120 CO 0.03 0.45 1.81 1.49 -0.85 0.00 0.00 174.74 177.66 2af2 h GLU 121 N 1.27 0.68 0.00 1.40 4.81 -0.69 -3.39 114.58 118.66 2af2 h GLU 121 Ca -0.52 -0.05 -0.62 0.00 -0.13 0.00 0.00 59.36 58.04 2af2 h GLU 121 Cb 1.23 -0.15 -0.13 0.00 0.63 0.00 0.00 28.75 30.33 2af2 h GLU 121 CO 0.62 0.48 -0.49 1.63 -0.73 0.00 0.00 179.01 180.51 2af2 n LYS 122 N -4.71 0.61 -1.64 1.92 4.01 0.15 -4.97 118.16 113.54 2af2 n LYS 122 Ca 0.02 -3.70 -0.39 0.00 -0.51 0.00 0.00 58.31 53.74 2af2 n LYS 122 Cb 0.04 1.68 0.04 0.00 -0.51 0.00 0.00 35.03 36.28 2af2 n LYS 122 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2af2 n ALA 123 N -1.07 0.46 -2.80 7.82 0.00 -0.67 -2.78 120.51 121.46 2af2 n ALA 123 Ca -0.18 0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 2af2 n ALA 123 Cb 0.65 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.88 2af2 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2af2 s ASP 124 N -1.00 5.92 0.06 0.00 -1.08 -1.26 -4.09 116.67 115.21 2af2 s ASP 124 Ca 0.70 0.29 -0.17 0.00 -0.52 0.00 0.00 52.55 52.85 2af2 s ASP 124 Cb -0.46 -1.90 -0.16 0.00 -1.46 0.00 0.00 42.92 38.95 2af2 s ASP 124 CO 0.51 0.33 1.28 -0.78 0.52 0.00 0.00 175.17 177.03 2af2 h ASP 125 N 5.53 0.65 -3.68 -0.34 3.58 -1.30 -3.49 116.42 117.36 2af2 h ASP 125 Ca -0.49 -0.60 -0.12 0.00 0.42 0.00 0.00 57.03 56.23 2af2 h ASP 125 Cb 1.20 -0.19 0.07 0.00 1.72 0.00 0.00 39.33 42.13 2af2 h ASP 125 CO 0.61 1.14 -0.33 0.18 -2.88 0.00 0.00 179.24 177.96 2af2 n LEU 126 N -4.24 -3.08 0.00 2.28 4.77 -1.26 -4.82 117.00 110.65 2af2 n LEU 126 Ca -0.07 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2af2 n LEU 126 Cb 0.57 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2af2 n LEU 126 CO 0.46 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2af2 n GLY 127 N -1.17 -1.09 2.73 -0.72 0.00 -1.20 -3.13 105.19 100.61 2af2 n GLY 127 Ca -0.09 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 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 0.34 0.00 1.61 2.20 -1.26 -3.79 119.74 118.84 2af2 s LYS 128 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 2af2 s LYS 128 Cb 0.00 -0.72 0.00 0.00 -1.51 0.00 0.00 37.83 35.60 2af2 s LYS 128 CO 0.00 -1.05 0.00 0.41 -0.36 0.00 0.00 175.35 174.35 2af2 n GLY 129 N 5.18 -0.13 0.60 5.54 0.00 -1.26 -4.93 105.19 110.18 2af2 n GLY 129 Ca -0.01 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 3.87 0.43 3.75 -0.02 0.00 -1.26 -4.97 105.19 107.00 2af2 n GLY 130 Ca 0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.37 -0.25 0.06 1.61 2.20 -1.26 -5.08 114.94 110.85 2af2 s ASN 131 Ca 0.30 -0.63 -0.33 0.00 -0.94 0.00 0.00 52.86 51.26 2af2 s ASN 131 Cb 0.16 0.68 -0.19 0.00 -2.00 0.00 0.00 41.25 39.90 2af2 s ASN 131 CO 0.23 -1.26 1.54 -0.08 -2.94 0.00 0.00 177.10 174.59 2af2 h GLU 132 N 2.07 -0.97 -1.00 3.55 4.22 -2.02 -3.21 114.58 117.22 2af2 h GLU 132 Ca -0.22 0.07 0.38 0.00 0.08 0.00 0.00 59.36 59.67 2af2 h GLU 132 Cb 1.25 0.22 -0.17 0.00 0.50 0.00 0.00 28.75 30.55 2af2 h GLU 132 CO 0.28 -0.64 0.51 1.49 -2.18 0.00 0.00 179.01 178.47 2af2 h GLU 133 N -1.05 0.08 -0.37 1.92 4.22 -2.01 0.37 114.58 117.74 2af2 h GLU 133 Ca -0.10 -0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.44 2af2 h GLU 133 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2af2 h GLU 133 CO 0.17 0.05 0.33 0.66 -2.18 0.00 0.00 179.01 178.04 2af2 h SER 134 N 0.08 0.00 0.70 1.04 4.64 -1.87 0.21 113.55 118.35 2af2 h SER 134 Ca 0.80 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 62.03 2af2 h SER 134 Cb 2.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.11 2af2 h SER 134 CO -0.74 0.00 -0.47 0.71 -0.87 0.00 0.00 176.83 175.47 2af2 h THR 135 N 0.00 1.14 0.02 2.95 1.35 -1.01 -0.73 112.91 116.63 2af2 h THR 135 Ca 0.18 -1.71 -0.00 0.00 -0.55 0.00 0.00 66.41 64.32 2af2 h THR 135 Cb 0.82 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2af2 h THR 135 CO -0.00 0.46 -0.01 0.11 -0.25 0.00 0.00 175.52 175.82 2af2 h LYS 136 N 0.00 -0.03 0.00 4.72 1.57 -0.72 -1.62 116.57 120.50 2af2 h LYS 136 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2af2 h LYS 136 Cb 0.94 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2af2 h LYS 136 CO 0.06 0.27 -0.72 0.25 -0.57 0.00 0.00 179.45 178.75 2af2 n THR 137 N -4.75 0.00 -0.26 -0.16 -2.24 -0.90 -4.42 114.28 101.55 2af2 n THR 137 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2af2 n THR 137 Cb 0.15 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 1.65 0.72 2.49 3.38 0.00 -0.28 -4.17 105.19 108.97 2af2 n GLY 138 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.83 0.00 1.61 4.05 -1.26 -0.80 115.26 114.03 2af2 n ASN 139 Ca 0.00 0.27 0.03 0.00 0.45 0.00 0.00 54.58 55.33 2af2 n ASN 139 Cb 0.00 -3.30 0.11 0.00 1.23 0.00 0.00 39.78 37.82 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 1.20 1.25 0.00 5.20 0.00 -1.26 -4.87 120.51 122.04 2af2 n ALA 140 Ca -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2af2 n ALA 140 Cb 0.45 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2af2 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 141 N -0.95 -1.81 3.43 0.00 0.00 -1.26 -0.67 105.19 103.92 2af2 n GLY 141 Ca 0.01 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 0.05 -0.01 1.61 0.01 -1.26 -4.53 113.70 105.57 2af2 s SER 142 Ca 0.00 0.99 0.02 0.00 1.31 0.00 0.00 55.95 58.27 2af2 s SER 142 Cb 0.00 -1.45 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 2af2 s SER 142 CO 0.00 -4.70 -0.03 0.00 0.41 0.00 0.00 173.24 168.92 2af2 s ARG 143 N -4.98 2.69 0.00 12.44 3.03 -1.26 -0.26 118.95 130.61 2af2 s ARG 143 Ca 0.69 -0.64 0.00 0.00 2.03 0.00 0.00 55.73 57.80 2af2 s ARG 143 Cb -0.16 -2.60 0.00 0.00 -1.03 0.00 0.00 34.95 31.16 2af2 s ARG 143 CO 0.59 0.62 0.00 1.47 -1.13 0.00 0.00 175.30 176.85 2af2 n LEU 144 N 1.55 0.00 -4.80 -1.89 -0.00 -1.11 -4.91 117.00 105.85 2af2 n LEU 144 Ca -0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.51 2af2 n LEU 144 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 2af2 n LEU 144 CO 0.32 0.00 0.72 0.00 -0.00 0.00 0.00 177.39 178.42 2af2 s ALA 145 N -3.60 2.93 0.08 1.47 0.00 -1.26 -4.76 121.76 116.61 2af2 s ALA 145 Ca 0.00 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.62 2af2 s ALA 145 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2af2 s ALA 145 CO 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 175.76 175.37 2af2 s GLY 147 N -1.97 -0.45 0.28 0.00 0.00 -1.13 -1.63 107.32 102.42 2af2 s GLY 147 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 44.72 45.06 2af2 s GLY 147 CO 0.02 0.08 0.00 0.14 0.00 0.00 0.00 173.10 173.34 2af2 s VAL 148 N -3.80 3.29 -0.18 1.40 1.01 -1.24 -1.19 120.40 119.68 2af2 s VAL 148 Ca 0.04 -1.92 -0.01 0.00 0.00 0.00 0.00 61.98 60.08 2af2 s VAL 148 Cb -0.02 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 2af2 s VAL 148 CO -0.07 -0.34 -0.11 -0.63 0.00 0.00 0.00 175.10 173.95 2af2 s ILE 149 N -2.36 2.94 0.00 2.22 1.01 -0.22 -2.82 121.20 121.97 2af2 s ILE 149 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.31 2af2 s ILE 149 Cb -0.05 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.13 2af2 s ILE 149 CO 0.20 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.23 2af2 n GLY 150 N 4.34 4.50 3.64 6.18 0.00 -0.35 -0.33 105.19 123.17 2af2 n GLY 150 Ca -0.19 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 2af2 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2af2 s ILE 151 N -1.13 4.65 -0.16 -0.61 1.09 -1.26 -0.65 121.20 123.13 2af2 s ILE 151 Ca 0.00 -0.09 0.17 0.00 -1.10 0.00 0.00 60.65 59.62 2af2 s ILE 151 Cb 0.00 -3.07 0.35 0.00 -1.06 0.00 0.00 42.46 38.69 2af2 s ILE 151 CO 0.00 0.49 1.21 0.00 -0.10 0.00 0.00 174.94 176.54 2af2 n ALA 152 N 3.26 2.74 -0.94 9.38 0.00 -0.01 -4.83 120.51 130.12 2af2 n ALA 152 Ca -0.17 -2.77 0.00 0.00 0.00 0.00 0.00 53.44 50.50 2af2 n ALA 152 Cb 0.53 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44