#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 3.99 -2.92 0.00 -1.04 0.18 -4.86 114.28 109.63 2af2 n THR 2 Ca 0.00 -4.09 -0.40 0.00 -2.04 0.00 0.00 64.05 57.52 2af2 n THR 2 Cb 0.00 -2.43 -0.06 0.00 -1.82 0.00 0.00 70.33 66.02 2af2 n THR 2 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2af2 s LYS 3 N 2.79 4.62 0.41 -2.82 0.00 -1.26 -2.41 119.74 121.07 2af2 s LYS 3 Ca 0.48 1.23 0.07 0.00 0.00 0.00 0.00 55.97 57.75 2af2 s LYS 3 Cb 0.05 -3.29 -0.06 0.00 0.00 0.00 0.00 37.83 34.54 2af2 s LYS 3 CO 0.02 0.50 0.15 0.00 0.00 0.00 0.00 175.35 176.01 2af2 s ALA 4 N -0.93 3.51 0.03 0.59 0.00 -0.23 -0.89 121.76 123.84 2af2 s ALA 4 Ca 0.38 -2.13 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 2af2 s ALA 4 Cb -0.23 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2af2 s ALA 4 CO 0.27 -0.15 0.22 0.08 0.00 0.00 0.00 175.76 176.18 2af2 s VAL 5 N -2.61 0.10 -0.21 0.00 1.01 -1.26 -1.01 120.40 116.41 2af2 s VAL 5 Ca 0.40 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2af2 s VAL 5 Cb 0.05 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.63 2af2 s VAL 5 CO 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 175.10 174.82 2af2 s ALA 6 N -2.33 1.82 -0.97 5.51 0.00 -1.06 -3.56 121.76 121.17 2af2 s ALA 6 Ca -0.07 -1.16 -0.22 0.00 0.00 0.00 0.00 51.96 50.51 2af2 s ALA 6 Cb -0.02 -1.30 0.07 0.00 0.00 0.00 0.00 23.12 21.87 2af2 s ALA 6 CO -0.02 -0.98 1.34 0.14 0.00 0.00 0.00 175.76 176.24 2af2 s VAL 7 N 1.47 4.12 0.04 0.00 -7.23 -1.26 -3.71 120.40 113.84 2af2 s VAL 7 Ca -0.03 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 2af2 s VAL 7 Cb -0.17 -4.97 -0.05 0.00 0.56 0.00 0.00 36.38 31.75 2af2 s VAL 7 CO -0.07 -1.81 1.12 -0.76 -0.31 0.00 0.00 175.10 173.27 2af2 s LEU 8 N 4.42 4.37 0.00 1.32 1.43 0.10 -4.63 118.68 125.69 2af2 s LEU 8 Ca 0.41 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 55.34 2af2 s LEU 8 Cb -0.02 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.64 2af2 s LEU 8 CO -0.08 -0.39 0.54 0.29 0.23 0.00 0.00 176.35 176.94 2af2 n LYS 9 N 3.91 0.78 0.00 1.70 5.02 0.16 -1.04 118.16 128.70 2af2 n LYS 9 Ca 0.08 -2.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 2af2 n LYS 9 Cb 0.48 2.53 0.00 0.00 -0.02 0.00 0.00 35.03 38.02 2af2 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2af2 n GLY 10 N -0.53 3.11 2.75 0.72 0.00 -1.26 -1.31 105.19 108.67 2af2 n GLY 10 Ca -0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2af2 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 11 N 0.00 4.08 0.00 1.61 8.00 -1.26 -4.94 116.55 124.03 2af2 n ASP 11 Ca 0.00 -2.79 0.00 0.00 0.71 0.00 0.00 54.79 52.71 2af2 n ASP 11 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 2af2 n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2af2 n GLY 12 N 4.12 0.67 0.00 0.44 0.00 -1.26 -0.51 105.19 108.64 2af2 n GLY 12 Ca 0.54 0.82 0.12 0.00 0.00 0.00 0.00 46.02 47.49 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 0.01 -3.11 1.61 -0.04 -1.26 -4.78 135.00 127.42 2af2 n PRO 13 Ca 0.00 0.07 -0.37 0.00 -0.04 0.00 0.00 63.50 63.17 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 -2.99 4.57 0.11 0.52 1.01 0.33 -4.59 120.40 119.37 2af2 s VAL 14 Ca 0.12 1.31 -0.20 0.00 0.00 0.00 0.00 61.98 63.21 2af2 s VAL 14 Cb 0.16 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.70 2af2 s VAL 14 CO 0.45 0.28 0.50 0.00 0.00 0.00 0.00 175.10 176.33 2af2 s GLN 15 N -1.79 1.12 -0.14 2.72 0.00 -0.74 -4.57 119.66 116.25 2af2 s GLN 15 Ca 0.41 -0.48 0.01 0.00 -0.00 0.00 0.00 55.36 55.29 2af2 s GLN 15 Cb -0.18 0.50 -0.00 0.00 0.00 0.00 0.00 33.01 33.34 2af2 s GLN 15 CO 0.21 -0.44 -0.17 0.20 0.00 0.00 0.00 175.29 175.09 2af2 s GLY 16 N -2.51 1.44 -0.35 2.60 0.00 -0.21 -0.95 107.32 107.35 2af2 s GLY 16 Ca -0.00 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.73 2af2 s GLY 16 CO -0.09 -0.07 0.08 -1.50 0.00 0.00 0.00 173.10 171.51 2af2 s ILE 17 N 0.66 2.00 -0.04 0.90 1.10 0.72 0.02 121.20 126.57 2af2 s ILE 17 Ca -0.09 -2.23 0.02 0.00 -0.51 0.00 0.00 60.65 57.85 2af2 s ILE 17 Cb -0.16 -2.48 0.01 0.00 0.15 0.00 0.00 42.46 39.98 2af2 s ILE 17 CO 0.02 -0.63 -0.08 0.27 -2.11 0.00 0.00 174.94 172.41 2af2 s ILE 18 N 0.96 0.75 0.10 2.00 -5.25 -1.24 -0.53 121.20 117.99 2af2 s ILE 18 Ca 0.11 -0.30 0.05 0.00 -0.99 0.00 0.00 60.65 59.52 2af2 s ILE 18 Cb -0.19 -0.69 -0.04 0.00 2.95 0.00 0.00 42.46 44.48 2af2 s ILE 18 CO -0.11 0.25 0.02 0.20 -1.79 0.00 0.00 174.94 173.52 2af2 s ASN 19 N 0.46 5.14 -0.06 4.36 0.01 0.55 -2.57 114.94 122.84 2af2 s ASN 19 Ca -0.07 -0.16 0.05 0.00 -0.71 0.00 0.00 52.86 51.97 2af2 s ASN 19 Cb -0.11 -1.25 -0.01 0.00 0.41 0.00 0.00 41.25 40.29 2af2 s ASN 19 CO 0.01 0.16 -0.22 -0.36 -1.51 0.00 0.00 177.10 175.18 2af2 s PHE 20 N -1.39 2.18 -0.34 2.20 0.40 -0.18 -1.00 117.98 119.85 2af2 s PHE 20 Ca 0.27 -0.67 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 2af2 s PHE 20 Cb -0.11 -1.45 0.00 0.00 0.51 0.00 0.00 43.02 41.97 2af2 s PHE 20 CO 0.19 -0.22 0.19 -2.00 0.70 0.00 0.00 175.22 174.09 2af2 s GLU 21 N -0.04 3.23 -0.32 0.44 2.56 -0.29 -1.07 118.70 123.20 2af2 s GLU 21 Ca -0.05 -0.81 -0.12 0.00 0.00 0.00 0.00 54.97 53.99 2af2 s GLU 21 Cb -0.13 -3.68 -0.02 0.00 2.00 0.00 0.00 34.13 32.30 2af2 s GLU 21 CO 0.04 -0.51 0.21 -1.14 -0.56 0.00 0.00 175.26 173.29 2af2 s GLN 22 N 1.63 3.51 -0.18 4.30 2.00 -1.01 -3.72 119.66 126.18 2af2 s GLN 22 Ca 0.04 -0.63 0.13 0.00 -2.00 0.00 0.00 55.36 52.91 2af2 s GLN 22 Cb -0.18 -3.71 -0.20 0.00 0.80 0.00 0.00 33.01 29.72 2af2 s GLN 22 CO 0.07 -0.40 0.01 0.36 -0.50 0.00 0.00 175.29 174.84 2af2 n LYS 23 N 5.06 1.06 -4.25 1.67 2.85 -1.26 -0.64 118.16 122.65 2af2 n LYS 23 Ca -0.13 0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 56.98 2af2 n LYS 23 Cb 0.50 -1.44 -0.11 0.00 -0.65 0.00 0.00 35.03 33.33 2af2 n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2af2 s GLU 24 N -2.42 1.05 0.28 -1.58 8.01 -1.26 -4.90 118.70 117.87 2af2 s GLU 24 Ca -0.12 -1.32 0.00 0.00 0.01 0.00 0.00 54.97 53.53 2af2 s GLU 24 Cb 0.06 -0.82 0.51 0.00 -4.31 0.00 0.00 34.13 29.57 2af2 s GLU 24 CO 0.67 0.14 1.86 0.77 0.01 0.00 0.00 175.26 178.71 2af2 h SER 25 N 3.23 0.97 -0.33 -0.19 0.02 -1.99 -0.02 113.55 115.23 2af2 h SER 25 Ca -0.38 0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.35 2af2 h SER 25 Cb 1.20 -0.17 -0.21 0.00 0.14 0.00 0.00 62.40 63.36 2af2 h SER 25 CO 0.55 0.56 -0.67 0.59 -1.14 0.00 0.00 176.83 176.72 2af2 n ASN 26 N -4.57 3.07 -4.78 3.07 3.02 -1.26 -4.37 115.26 109.45 2af2 n ASN 26 Ca 0.17 -3.74 -0.33 0.00 -0.03 0.00 0.00 54.58 50.65 2af2 n ASN 26 Cb 0.29 -0.44 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 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 -3.37 2.28 0.40 7.41 0.00 -0.02 -4.99 107.32 109.03 2af2 s GLY 27 Ca 0.43 0.59 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 2af2 s GLY 27 CO -0.02 0.93 1.29 2.56 0.00 0.00 0.00 173.10 177.85 2af2 s PRO 28 N -3.85 3.99 0.02 2.90 0.04 -1.26 -4.69 135.00 132.16 2af2 s PRO 28 Ca 0.68 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.88 2af2 s PRO 28 Cb -0.20 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2af2 s PRO 28 CO 0.36 -0.46 -0.10 0.08 0.04 0.00 0.00 177.00 176.92 2af2 s VAL 29 N -1.27 3.38 -0.12 -0.36 1.01 -0.85 -4.70 120.40 117.50 2af2 s VAL 29 Ca 0.56 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2af2 s VAL 29 Cb -0.37 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2af2 s VAL 29 CO 0.48 0.36 -0.12 -0.75 0.00 0.00 0.00 175.10 175.06 2af2 s LYS 30 N -1.48 3.32 -0.00 2.72 2.20 -1.24 -2.24 119.74 123.01 2af2 s LYS 30 Ca 0.17 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 2af2 s LYS 30 Cb -0.11 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2af2 s LYS 30 CO 0.07 0.26 -0.00 0.08 -0.36 0.00 0.00 175.35 175.40 2af2 s VAL 31 N 0.23 4.14 0.16 4.02 1.01 0.14 -1.14 120.40 128.96 2af2 s VAL 31 Ca -0.08 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2af2 s VAL 31 Cb -0.15 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.45 2af2 s VAL 31 CO 0.05 0.39 0.57 -1.66 0.00 0.00 0.00 175.10 174.44 2af2 s TRP 32 N -1.07 -0.43 -4.61 5.22 -2.14 -0.17 -1.41 118.94 114.33 2af2 s TRP 32 Ca 0.19 0.17 0.00 0.00 2.66 0.00 0.00 56.10 59.12 2af2 s TRP 32 Cb -0.11 0.50 0.00 0.00 -3.10 0.00 0.00 33.47 30.76 2af2 s TRP 32 CO 0.10 -0.85 0.00 0.41 -2.66 0.00 0.00 176.95 173.94 2af2 n GLY 33 N -0.36 0.25 3.35 3.67 0.00 -0.64 -0.33 105.19 111.14 2af2 n GLY 33 Ca -0.15 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.39 -0.16 1.61 1.04 0.31 -0.54 113.70 111.58 2af2 s SER 34 Ca 0.00 0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.84 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 -0.47 -0.11 -0.63 0.98 0.00 0.00 173.24 173.02 2af2 s ILE 35 N -1.09 1.43 -0.03 -1.02 1.01 0.06 -0.20 121.20 121.36 2af2 s ILE 35 Ca -0.11 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2af2 s ILE 35 Cb -0.03 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 2af2 s ILE 35 CO 0.06 0.31 -0.21 -0.75 0.00 0.00 0.00 174.94 174.35 2af2 s LYS 36 N 1.52 1.92 0.00 2.79 2.20 -0.13 -0.04 119.74 128.01 2af2 s LYS 36 Ca 0.03 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2af2 s LYS 36 Cb -0.14 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 2af2 s LYS 36 CO -0.09 0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.70 2af2 n GLY 37 N 2.78 0.97 3.89 5.54 0.00 -0.20 -1.79 105.19 116.37 2af2 n GLY 37 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 3.01 0.30 0.99 1.02 -0.92 -4.76 118.68 118.32 2af2 s LEU 38 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 54.13 55.25 2af2 s LEU 38 Cb 0.00 -3.94 -0.04 0.00 0.02 0.00 0.00 46.19 42.23 2af2 s LEU 38 CO 0.00 -1.22 0.50 0.28 0.02 0.00 0.00 176.35 175.94 2af2 s THR 39 N -3.27 5.13 0.48 5.49 -1.32 -1.26 -4.45 115.64 116.45 2af2 s THR 39 Ca 0.57 -0.43 -0.23 0.00 -1.21 0.00 0.00 61.69 60.38 2af2 s THR 39 Cb -0.11 -3.82 -0.07 0.00 -1.51 0.00 0.00 72.50 66.99 2af2 s THR 39 CO 0.51 -0.44 1.30 -1.83 -2.21 0.00 0.00 174.62 171.95 2af2 s GLU 40 N -4.02 3.53 0.00 7.08 -1.05 -1.26 -4.57 118.70 118.41 2af2 s GLU 40 Ca 0.40 2.12 0.00 0.00 -0.15 0.00 0.00 54.97 57.33 2af2 s GLU 40 Cb -0.10 -2.44 0.00 0.00 -0.44 0.00 0.00 34.13 31.15 2af2 s GLU 40 CO 0.33 -0.84 0.00 0.41 0.95 0.00 0.00 175.26 176.11 2af2 n GLY 41 N 0.62 -2.01 3.76 -3.83 0.00 -0.45 -4.89 105.19 98.40 2af2 n GLY 41 Ca 0.08 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 3.91 -0.09 0.99 1.43 -1.26 -0.81 118.68 122.85 2af2 s LEU 42 Ca 0.00 2.46 -0.04 0.00 -1.03 0.00 0.00 54.13 55.52 2af2 s LEU 42 Cb 0.00 -4.31 0.04 0.00 0.03 0.00 0.00 46.19 41.96 2af2 s LEU 42 CO 0.00 -1.22 0.20 -1.00 0.23 0.00 0.00 176.35 174.55 2af2 s HIS 43 N -1.48 -0.25 0.84 0.29 3.76 0.32 -3.07 115.29 115.70 2af2 s HIS 43 Ca 0.68 0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 56.13 2af2 s HIS 43 Cb -0.32 -0.04 0.09 0.00 1.11 0.00 0.00 32.58 33.42 2af2 s HIS 43 CO 0.38 -0.22 1.10 0.20 -0.85 0.00 0.00 174.74 175.36 2af2 s GLY 44 N 1.38 1.62 -0.24 -2.22 0.00 -0.70 0.10 107.32 107.25 2af2 s GLY 44 Ca -0.08 -0.18 -0.20 0.00 0.00 0.00 0.00 44.72 44.27 2af2 s GLY 44 CO -0.07 0.28 0.63 -0.11 0.00 0.00 0.00 173.10 173.82 2af2 s PHE 45 N -3.09 -0.76 0.15 1.90 -0.71 -1.02 0.14 117.98 114.60 2af2 s PHE 45 Ca 0.62 1.75 -0.10 0.00 -1.04 0.00 0.00 56.93 58.15 2af2 s PHE 45 Cb -0.16 0.31 -0.00 0.00 -1.21 0.00 0.00 43.02 41.97 2af2 s PHE 45 CO 0.55 -0.37 0.30 -3.38 -1.34 0.00 0.00 175.22 170.98 2af2 s HIS 46 N 0.66 0.27 -0.11 3.49 -3.43 0.42 -3.92 115.29 112.66 2af2 s HIS 46 Ca -0.03 -0.64 -0.13 0.00 -0.80 0.00 0.00 55.06 53.47 2af2 s HIS 46 Cb -0.05 0.00 -0.05 0.00 -1.43 0.00 0.00 32.58 31.06 2af2 s HIS 46 CO -0.04 -0.70 0.30 0.14 -2.00 0.00 0.00 174.74 172.43 2af2 s VAL 47 N -3.93 5.27 -0.22 -5.38 -7.23 -1.26 -0.36 120.40 107.29 2af2 s VAL 47 Ca 0.13 0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 60.58 2af2 s VAL 47 Cb 0.03 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.33 2af2 s VAL 47 CO -0.03 0.47 1.50 -1.00 -0.31 0.00 0.00 175.10 175.73 2af2 s HIS 48 N -0.14 2.32 -0.87 2.82 3.76 0.91 -4.51 115.29 119.58 2af2 s HIS 48 Ca 0.18 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 2af2 s HIS 48 Cb -0.14 -3.90 0.00 0.00 1.11 0.00 0.00 32.58 29.65 2af2 s HIS 48 CO 0.06 -2.59 0.30 -1.91 -0.85 0.00 0.00 174.74 169.75 2af2 n GLU 49 N 7.40 0.53 -4.15 1.40 2.13 -1.26 -2.41 120.64 124.28 2af2 n GLU 49 Ca 0.17 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.83 2af2 n GLU 49 Cb 0.45 -1.26 -0.12 0.00 0.27 0.00 0.00 31.44 30.78 2af2 n GLU 49 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2af2 s PHE 50 N -0.81 0.98 -0.36 4.31 5.36 -1.26 -4.67 117.98 121.54 2af2 s PHE 50 Ca 0.00 -0.44 0.23 0.00 -0.96 0.00 0.00 56.93 55.75 2af2 s PHE 50 Cb 0.00 -0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 2af2 s PHE 50 CO 0.00 -0.00 0.95 0.41 -1.46 0.00 0.00 175.22 175.12 2af2 n GLY 51 N 1.51 -1.29 3.56 13.12 0.00 -1.16 -3.76 105.19 117.17 2af2 n GLY 51 Ca -0.21 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.63 5.49 0.00 1.61 -1.08 -1.26 -3.19 116.67 113.61 2af2 s ASP 52 Ca 0.00 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 2af2 s ASP 52 Cb 0.12 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 2af2 s ASP 52 CO 0.81 -2.45 0.00 -0.46 0.52 0.00 0.00 175.17 173.59 2af2 n ASN 53 N 12.69 0.00 0.00 -0.34 2.04 -1.26 -4.90 115.26 123.49 2af2 n ASN 53 Ca 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.53 2af2 n ASN 53 Cb 0.48 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.73 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2af2 n THR 54 N 0.00 0.00 1.61 5.53 -2.24 -1.19 -4.11 114.28 113.87 2af2 n THR 54 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2af2 n THR 54 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 2.50 -0.15 6.98 0.00 -1.26 -3.39 120.51 125.19 2af2 n ALA 55 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2af2 n ALA 55 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.32 -0.01 0.33 0.00 0.00 -1.26 -4.31 105.19 100.27 2af2 n GLY 56 Ca 0.00 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.76 0.02 -4.06 0.00 5.66 -1.26 -4.84 114.28 107.05 2af2 n THR 58 Ca -0.01 0.01 -0.13 0.00 -3.05 0.00 0.00 64.05 60.86 2af2 n THR 58 Cb 0.58 -0.52 -0.12 0.00 -1.55 0.00 0.00 70.33 68.72 2af2 n THR 58 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2af2 s SER 59 N -2.45 0.64 0.34 1.09 0.01 0.21 -5.05 113.70 108.49 2af2 s SER 59 Ca 0.32 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2af2 s SER 59 Cb 0.20 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2af2 s SER 59 CO 0.43 -0.15 0.00 0.00 0.41 0.00 0.00 173.24 173.93 2af2 n ALA 60 N 1.92 0.00 0.00 1.44 0.00 -1.26 -4.75 120.51 117.86 2af2 n ALA 60 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2af2 n ALA 60 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2af2 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 61 N 0.00 3.10 3.87 0.00 0.00 -1.26 -5.09 105.19 105.81 2af2 n GLY 61 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 2.32 -0.12 1.61 0.04 -1.26 -4.91 135.00 132.68 2af2 s PRO 62 Ca 0.00 -1.86 -0.12 0.00 0.04 0.00 0.00 61.00 59.07 2af2 s PRO 62 Cb 0.00 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 2af2 s PRO 62 CO 0.00 -0.42 0.25 -3.38 0.04 0.00 0.00 177.00 173.49 2af2 s HIS 63 N -2.66 3.54 0.58 0.56 -3.43 -1.26 -3.98 115.29 108.64 2af2 s HIS 63 Ca 0.39 0.62 -0.18 0.00 -0.80 0.00 0.00 55.06 55.10 2af2 s HIS 63 Cb -0.01 -2.20 -0.04 0.00 -1.43 0.00 0.00 32.58 28.90 2af2 s HIS 63 CO 0.23 0.46 1.10 -0.06 -2.00 0.00 0.00 174.74 174.47 2af2 s PHE 64 N -0.25 2.74 -0.52 0.38 0.40 -1.26 -4.78 117.98 114.69 2af2 s PHE 64 Ca 0.16 1.55 0.07 0.00 -0.60 0.00 0.00 56.93 58.11 2af2 s PHE 64 Cb -0.13 -3.18 0.34 0.00 0.51 0.00 0.00 43.02 40.56 2af2 s PHE 64 CO 0.05 -1.44 0.88 0.27 0.70 0.00 0.00 175.22 175.68 2af2 n ASN 65 N -1.71 3.44 0.24 1.36 6.94 -1.26 -4.63 115.26 119.63 2af2 n ASN 65 Ca 0.10 -3.49 0.07 0.00 -0.02 0.00 0.00 54.58 51.24 2af2 n ASN 65 Cb 0.52 -0.58 0.58 0.00 -2.36 0.00 0.00 39.78 37.94 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2af2 h PRO 66 N 3.00 0.00 0.00 -0.53 0.13 -1.97 0.10 132.00 132.74 2af2 h PRO 66 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2af2 h PRO 66 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 2af2 h PRO 66 CO 0.73 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 179.87 2af2 n LEU 67 N -4.42 0.00 -1.90 1.56 4.77 -1.26 -4.99 117.00 110.76 2af2 n LEU 67 Ca -0.03 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2af2 n LEU 67 Cb 0.17 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2af2 n LEU 67 CO 0.35 -0.06 -0.33 -0.24 -1.33 0.00 0.00 177.39 175.79 2af2 n SER 68 N -1.27 -7.09 0.00 -1.43 2.88 0.36 -5.11 113.62 101.96 2af2 n SER 68 Ca 0.12 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 2af2 n SER 68 Cb 0.19 -3.82 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 2af2 n SER 68 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2af2 n ARG 69 N 1.22 -0.69 -0.76 -1.46 1.85 -1.26 -5.03 116.66 110.54 2af2 n ARG 69 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 2af2 n ARG 69 Cb 0.00 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 31.64 2af2 n ARG 69 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2af2 s LYS 70 N -2.00 -0.52 -0.06 2.89 3.01 -1.26 -4.92 119.74 116.88 2af2 s LYS 70 Ca 0.00 0.71 -0.12 0.00 -1.01 0.00 0.00 55.97 55.55 2af2 s LYS 70 Cb 0.00 -1.61 -0.05 0.00 -1.01 0.00 0.00 37.83 35.16 2af2 s LYS 70 CO 0.00 -3.42 0.29 -1.58 0.51 0.00 0.00 175.35 171.15 2af2 s HIS 71 N -2.64 3.65 0.00 3.18 5.65 -1.07 -3.82 115.29 120.25 2af2 s HIS 71 Ca 0.67 0.77 0.00 0.00 0.25 0.00 0.00 55.06 56.76 2af2 s HIS 71 Cb -0.23 -2.16 0.00 0.00 -1.18 0.00 0.00 32.58 29.02 2af2 s HIS 71 CO 0.62 0.64 0.00 0.41 -0.65 0.00 0.00 174.74 175.76 2af2 n GLY 72 N 2.04 -0.21 0.00 1.59 0.00 -1.26 -1.52 105.19 105.82 2af2 n GLY 72 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 2.78 0.02 -0.02 0.00 -0.75 -4.05 105.19 103.16 2af2 n GLY 73 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.89 0.11 0.00 1.61 -0.04 -1.26 -4.68 135.00 129.85 2af2 n PRO 74 Ca 0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2af2 n PRO 74 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 -1.72 1.07 -2.19 0.54 2.85 -1.26 -5.00 118.16 112.45 2af2 n LYS 75 Ca 0.05 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.97 2af2 n LYS 75 Cb 0.37 -0.19 -0.04 0.00 -0.65 0.00 0.00 35.03 34.53 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 -0.53 5.52 0.00 -5.58 2.15 -1.25 -4.83 116.67 112.15 2af2 s ASP 76 Ca 0.00 -0.58 0.10 0.00 0.43 0.00 0.00 52.55 52.50 2af2 s ASP 76 Cb 0.00 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.56 2af2 s ASP 76 CO 0.00 -2.35 1.23 -0.62 -0.17 0.00 0.00 175.17 173.26 2af2 n GLU 77 N 8.98 0.12 -0.01 4.34 -0.58 -1.26 -1.82 120.64 130.41 2af2 n GLU 77 Ca 0.31 0.22 -0.01 0.00 -0.42 0.00 0.00 57.16 57.26 2af2 n GLU 77 Cb 0.49 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.86 2af2 n GLU 77 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2af2 h GLU 78 N 0.00 -0.04 -4.34 3.49 4.81 -1.92 -3.50 114.58 113.08 2af2 h GLU 78 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2af2 h GLU 78 Cb 0.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 2af2 h GLU 78 CO 0.00 -0.03 -1.00 2.89 -0.73 0.00 0.00 179.01 180.14 2af2 n ARG 79 N -3.46 -5.55 -1.28 1.92 0.00 -1.19 -4.98 116.66 102.11 2af2 n ARG 79 Ca -0.01 3.98 -0.35 0.00 -0.00 0.00 0.00 57.85 61.48 2af2 n ARG 79 Cb 0.02 -4.37 0.10 0.00 -0.00 0.00 0.00 32.46 28.21 2af2 n ARG 79 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2af2 n HIS 80 N 0.89 0.69 0.19 2.89 8.25 -1.25 -4.92 115.22 121.96 2af2 n HIS 80 Ca 0.00 0.39 0.04 0.00 -0.26 0.00 0.00 57.72 57.88 2af2 n HIS 80 Cb 0.00 -2.07 0.37 0.00 1.12 0.00 0.00 29.99 29.41 2af2 n HIS 80 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2af2 h VAL 81 N -0.45 1.16 -3.54 1.59 3.04 -1.89 -3.29 116.25 112.88 2af2 h VAL 81 Ca -0.47 -1.34 -0.70 0.00 -1.01 0.00 0.00 66.70 63.18 2af2 h VAL 81 Cb 1.32 1.74 -0.30 0.00 -2.01 0.00 0.00 31.29 32.05 2af2 h VAL 81 CO 0.46 0.37 -0.53 -0.83 -1.01 0.00 0.00 177.57 176.03 2af2 s GLY 82 N -4.32 1.93 -0.21 3.17 0.00 -1.25 -4.75 107.32 101.88 2af2 s GLY 82 Ca -0.02 -2.09 -0.27 0.00 0.00 0.00 0.00 44.72 42.34 2af2 s GLY 82 CO 0.71 0.91 0.73 0.99 0.00 0.00 0.00 173.10 176.44 2af2 s ASP 83 N 1.83 -0.70 0.47 1.64 1.11 -1.24 -4.57 116.67 115.20 2af2 s ASP 83 Ca 0.02 1.21 0.03 0.00 0.18 0.00 0.00 52.55 53.99 2af2 s ASP 83 Cb -0.22 1.17 -0.04 0.00 1.07 0.00 0.00 42.92 44.90 2af2 s ASP 83 CO 0.01 -0.35 0.01 -0.76 1.18 0.00 0.00 175.17 175.27 2af2 s LEU 84 N -0.08 2.45 0.00 1.23 2.01 -1.26 -4.93 118.68 118.11 2af2 s LEU 84 Ca -0.03 -1.56 0.00 0.00 0.01 0.00 0.00 54.13 52.55 2af2 s LEU 84 Cb -0.04 -0.73 0.00 0.00 0.01 0.00 0.00 46.19 45.43 2af2 s LEU 84 CO 0.03 -0.72 0.00 0.61 1.01 0.00 0.00 176.35 177.28 2af2 n GLY 85 N -1.13 1.51 3.75 -3.19 0.00 -1.25 -4.64 105.19 100.24 2af2 n GLY 85 Ca -0.13 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 2af2 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 86 N -1.00 5.20 0.48 1.61 2.20 -1.26 -2.43 114.94 119.74 2af2 s ASN 86 Ca 0.00 -0.30 0.07 0.00 -0.94 0.00 0.00 52.86 51.69 2af2 s ASN 86 Cb 0.00 -1.24 0.01 0.00 -2.00 0.00 0.00 41.25 38.02 2af2 s ASN 86 CO 0.00 0.03 0.45 0.54 -2.94 0.00 0.00 177.10 175.19 2af2 s VAL 87 N -1.93 2.28 0.01 3.54 0.11 0.11 -4.94 120.40 119.58 2af2 s VAL 87 Ca 0.31 -1.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 2af2 s VAL 87 Cb -0.09 -2.61 -0.01 0.00 -1.53 0.00 0.00 36.38 32.15 2af2 s VAL 87 CO 0.22 0.00 -0.03 0.28 -3.33 0.00 0.00 175.10 172.24 2af2 s THR 88 N -2.59 0.23 0.14 5.04 -1.32 -1.26 -0.52 115.64 115.35 2af2 s THR 88 Ca 0.46 -0.43 0.06 0.00 -1.21 0.00 0.00 61.69 60.57 2af2 s THR 88 Cb -0.03 -0.26 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 2af2 s THR 88 CO 0.28 -0.13 0.01 0.00 -2.21 0.00 0.00 174.62 172.56 2af2 s ALA 89 N -0.57 3.26 0.54 11.08 0.00 0.01 -3.95 121.76 132.12 2af2 s ALA 89 Ca -0.04 -1.25 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 2af2 s ALA 89 Cb -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2af2 s ALA 89 CO -0.00 0.58 0.81 0.34 0.00 0.00 0.00 175.76 177.49 2af2 s ASP 90 N -2.67 5.70 0.05 0.00 2.15 0.62 -1.34 116.67 121.19 2af2 s ASP 90 Ca 0.27 0.56 0.08 0.00 0.43 0.00 0.00 52.55 53.89 2af2 s ASP 90 Cb -0.10 -1.66 0.37 0.00 -0.30 0.00 0.00 42.92 41.23 2af2 s ASP 90 CO 0.19 -0.92 1.25 2.29 -0.17 0.00 0.00 175.17 177.81 2af2 n LYS 91 N -2.39 0.03 0.23 4.34 2.85 -1.26 -1.13 118.16 120.83 2af2 n LYS 91 Ca 0.03 0.44 0.15 0.00 -1.05 0.00 0.00 58.31 57.89 2af2 n LYS 91 Cb 0.57 -1.57 0.62 0.00 -0.65 0.00 0.00 35.03 34.00 2af2 n LYS 91 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2af2 h ASP 92 N 0.00 0.00 0.00 -5.58 3.58 -1.94 -3.47 116.42 109.01 2af2 h ASP 92 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2af2 h ASP 92 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2af2 h ASP 92 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2af2 n GLY 93 N 0.02 0.44 3.86 -0.78 0.00 -0.28 -4.91 105.19 103.55 2af2 n GLY 93 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 5.41 -0.18 1.61 0.11 -1.24 -1.04 120.40 123.07 2af2 s VAL 94 Ca 0.00 0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 59.32 2af2 s VAL 94 Cb 0.00 -3.47 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 2af2 s VAL 94 CO 0.00 0.60 0.05 0.00 -3.33 0.00 0.00 175.10 172.42 2af2 s ALA 95 N -0.96 3.36 0.28 1.54 0.00 0.95 -0.28 121.76 126.65 2af2 s ALA 95 Ca 0.17 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 2af2 s ALA 95 Cb -0.13 -1.87 -0.09 0.00 0.00 0.00 0.00 23.12 21.02 2af2 s ALA 95 CO 0.06 0.18 0.95 0.34 0.00 0.00 0.00 175.76 177.29 2af2 s ASP 96 N 0.37 7.46 -0.01 0.00 2.15 -1.25 -0.76 116.67 124.62 2af2 s ASP 96 Ca 0.02 1.92 0.07 0.00 0.43 0.00 0.00 52.55 55.00 2af2 s ASP 96 Cb -0.13 -2.60 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 2af2 s ASP 96 CO 0.00 0.02 -0.23 0.54 -0.17 0.00 0.00 175.17 175.33 2af2 s VAL 97 N -1.38 1.84 -0.25 1.11 0.11 0.30 -4.66 120.40 117.47 2af2 s VAL 97 Ca 0.46 -1.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.40 2af2 s VAL 97 Cb -0.23 -1.53 0.10 0.00 -1.53 0.00 0.00 36.38 33.19 2af2 s VAL 97 CO 0.29 0.50 0.55 -0.94 -3.33 0.00 0.00 175.10 172.17 2af2 s SER 98 N -0.59 -0.74 0.14 3.54 1.04 -1.26 -1.62 113.70 114.21 2af2 s SER 98 Ca 0.09 1.29 0.06 0.00 0.48 0.00 0.00 55.95 57.87 2af2 s SER 98 Cb -0.09 1.69 -0.04 0.00 0.10 0.00 0.00 66.02 67.68 2af2 s SER 98 CO -0.01 -0.22 -0.14 -0.63 0.98 0.00 0.00 173.24 173.22 2af2 s ILE 99 N 2.47 1.40 -0.24 -1.02 1.09 -0.50 -4.98 121.20 119.42 2af2 s ILE 99 Ca -0.05 -1.84 -0.18 0.00 -1.10 0.00 0.00 60.65 57.47 2af2 s ILE 99 Cb -0.11 -1.66 0.07 0.00 -1.06 0.00 0.00 42.46 39.69 2af2 s ILE 99 CO -0.16 -0.48 0.62 -0.70 -0.10 0.00 0.00 174.94 174.12 2af2 s GLU 100 N -2.95 0.68 0.12 2.79 2.12 -1.26 0.26 118.70 120.47 2af2 s GLU 100 Ca 0.12 0.96 -0.24 0.00 0.36 0.00 0.00 54.97 56.17 2af2 s GLU 100 Cb -0.03 0.24 0.07 0.00 0.26 0.00 0.00 34.13 34.68 2af2 s GLU 100 CO 0.03 -0.11 0.64 0.34 -0.54 0.00 0.00 175.26 175.62 2af2 s ASP 101 N 0.84 -0.55 -0.41 -1.70 2.15 -0.95 -5.03 116.67 111.03 2af2 s ASP 101 Ca -0.04 0.06 0.06 0.00 0.43 0.00 0.00 52.55 53.06 2af2 s ASP 101 Cb -0.05 0.57 0.43 0.00 -0.30 0.00 0.00 42.92 43.57 2af2 s ASP 101 CO -0.07 -0.90 1.12 -1.54 -0.17 0.00 0.00 175.17 173.61 2af2 n SER 102 N -0.26 4.56 0.00 -0.34 3.41 -1.26 -2.00 113.62 117.73 2af2 n SER 102 Ca -0.16 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.79 2af2 n SER 102 Cb 0.64 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.50 0.00 -2.76 -3.33 0.31 -1.26 -4.93 118.33 105.86 2af2 n VAL 103 Ca 0.38 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.38 2af2 n VAL 103 Cb 0.72 -0.06 -0.06 0.00 -0.91 0.00 0.00 33.84 33.53 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 -1.12 4.25 0.26 2.52 -5.25 -1.26 -5.07 121.20 115.52 2af2 s ILE 104 Ca 0.00 1.41 -0.16 0.00 -0.99 0.00 0.00 60.65 60.91 2af2 s ILE 104 Cb 0.00 -3.57 0.01 0.00 2.95 0.00 0.00 42.46 41.85 2af2 s ILE 104 CO 0.00 -0.30 0.57 -0.94 -1.79 0.00 0.00 174.94 172.49 2af2 s SER 105 N -2.13 -0.17 -0.67 4.36 1.04 -1.26 -4.07 113.70 110.80 2af2 s SER 105 Ca 0.63 -0.77 -0.03 0.00 0.48 0.00 0.00 55.95 56.27 2af2 s SER 105 Cb -0.11 0.64 0.26 0.00 0.10 0.00 0.00 66.02 66.91 2af2 s SER 105 CO 0.15 -1.21 2.27 0.18 0.98 0.00 0.00 173.24 175.61 2af2 n LEU 106 N -0.41 7.15 -0.00 2.42 4.32 -1.26 -2.52 117.00 126.70 2af2 n LEU 106 Ca -0.03 -4.44 0.09 0.00 -0.02 0.00 0.00 56.01 51.61 2af2 n LEU 106 Cb 0.61 -1.11 -0.12 0.00 -1.62 0.00 0.00 43.42 41.18 2af2 n LEU 106 CO 0.19 1.69 -0.27 -0.24 -1.22 0.00 0.00 177.39 177.54 2af2 n SER 107 N -0.07 0.82 0.00 -1.43 2.88 -1.26 -4.88 113.62 109.67 2af2 n SER 107 Ca 0.52 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2af2 n SER 107 Cb 0.40 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 65.14 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 1.43 0.34 0.48 0.46 0.00 -1.26 -5.04 105.19 101.61 2af2 n GLY 108 Ca 0.01 -0.06 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 2af2 n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2af2 h ASP 109 N 0.00 -1.05 0.00 1.61 5.19 -1.98 -3.37 116.42 116.82 2af2 h ASP 109 Ca 0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2af2 h ASP 109 Cb 0.00 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2af2 h ASP 109 CO 0.00 -0.74 0.00 1.41 -3.12 0.00 0.00 179.24 176.79 2af2 n HIS 110 N -5.31 0.00 -0.90 4.55 8.25 -1.26 -4.97 115.22 115.59 2af2 n HIS 110 Ca -0.15 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2af2 n HIS 110 Cb 0.48 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2af2 n HIS 110 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2af2 n SER 111 N -0.05 -0.15 0.16 0.41 3.41 -1.26 -3.94 113.62 112.20 2af2 n SER 111 Ca 0.00 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 2af2 n SER 111 Cb 0.10 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.30 2af2 n SER 111 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2af2 h ILE 112 N -1.05 1.36 -3.66 -1.33 3.07 -1.84 -3.38 117.51 110.67 2af2 h ILE 112 Ca 0.00 -1.71 -0.53 0.00 1.55 0.00 0.00 64.86 64.16 2af2 h ILE 112 Cb 0.00 1.92 0.10 0.00 -0.27 0.00 0.00 36.82 38.56 2af2 h ILE 112 CO 0.00 0.49 0.83 -0.63 -1.05 0.00 0.00 178.15 177.79 2af2 s ILE 113 N -3.90 2.05 0.00 0.16 -1.09 -1.26 -1.98 121.20 115.18 2af2 s ILE 113 Ca -0.02 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 2af2 s ILE 113 Cb 0.13 -3.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 2af2 s ILE 113 CO 0.75 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 2af2 n GLY 114 N 1.24 2.10 3.75 6.18 0.00 -0.62 -4.82 105.19 113.01 2af2 n GLY 114 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 4.74 -0.49 1.61 3.00 -0.84 -3.00 118.95 123.97 2af2 s ARG 115 Ca 0.00 1.64 -0.16 0.00 0.00 0.00 0.00 55.73 57.21 2af2 s ARG 115 Cb 0.00 -3.25 0.08 0.00 0.00 0.00 0.00 34.95 31.78 2af2 s ARG 115 CO 0.00 0.33 0.45 0.99 0.00 0.00 0.00 175.30 177.08 2af2 s THR 116 N -1.03 5.17 -0.23 0.02 2.01 -1.01 -1.47 115.64 119.10 2af2 s THR 116 Ca 0.43 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2af2 s THR 116 Cb -0.29 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.04 2af2 s THR 116 CO 0.36 -0.67 1.03 -0.22 -0.69 0.00 0.00 174.62 174.43 2af2 s LEU 117 N 1.81 4.10 -0.08 4.42 2.96 0.40 -0.06 118.68 132.23 2af2 s LEU 117 Ca 0.06 1.36 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 2af2 s LEU 117 Cb -0.24 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 2af2 s LEU 117 CO 0.07 -0.66 -0.06 0.54 -1.32 0.00 0.00 176.35 174.92 2af2 s VAL 118 N 3.16 3.80 0.24 1.68 0.11 0.51 -1.35 120.40 128.55 2af2 s VAL 118 Ca 0.44 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 2af2 s VAL 118 Cb -0.15 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.10 2af2 s VAL 118 CO 0.06 0.59 0.25 -0.69 -3.33 0.00 0.00 175.10 171.98 2af2 s VAL 119 N -0.69 4.74 -0.06 2.04 1.01 0.01 -0.43 120.40 127.01 2af2 s VAL 119 Ca 0.11 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.89 2af2 s VAL 119 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2af2 s VAL 119 CO 0.02 -0.32 -0.18 -1.00 0.00 0.00 0.00 175.10 173.62 2af2 s HIS 120 N -2.05 1.86 0.43 5.22 3.76 0.12 -1.89 115.29 122.73 2af2 s HIS 120 Ca 0.33 -0.61 0.24 0.00 -0.15 0.00 0.00 55.06 54.88 2af2 s HIS 120 Cb -0.08 -1.26 1.26 0.00 1.11 0.00 0.00 32.58 33.61 2af2 s HIS 120 CO 0.26 -0.23 1.72 1.49 -0.85 0.00 0.00 174.74 177.13 2af2 h GLU 121 N 6.46 0.24 -5.91 1.40 4.81 -1.06 -3.11 114.58 117.41 2af2 h GLU 121 Ca -0.30 -0.01 -0.56 0.00 -0.13 0.00 0.00 59.36 58.35 2af2 h GLU 121 Cb 1.19 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 2af2 h GLU 121 CO 0.48 0.16 -0.49 0.15 -0.73 0.00 0.00 179.01 178.57 2af2 s LYS 122 N -5.37 2.23 0.89 1.92 1.02 -1.25 -4.86 119.74 114.32 2af2 s LYS 122 Ca -0.08 -1.84 -0.12 0.00 0.02 0.00 0.00 55.97 53.96 2af2 s LYS 122 Cb 0.27 -1.99 0.10 0.00 -0.52 0.00 0.00 37.83 35.68 2af2 s LYS 122 CO 0.81 -0.12 0.96 0.00 -0.92 0.00 0.00 175.35 176.08 2af2 n ALA 123 N -1.25 -1.08 -2.85 5.17 0.00 -1.17 -1.73 120.51 117.60 2af2 n ALA 123 Ca -0.01 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.80 2af2 n ALA 123 Cb 0.64 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.33 0.32 -0.13 0.00 2.15 -1.26 -4.44 116.67 110.98 2af2 s ASP 124 Ca 0.66 -0.16 -0.07 0.00 0.43 0.00 0.00 52.55 53.41 2af2 s ASP 124 Cb -0.24 -0.00 -0.03 0.00 -0.30 0.00 0.00 42.92 42.34 2af2 s ASP 124 CO 0.59 -0.05 -0.06 -0.78 -0.17 0.00 0.00 175.17 174.70 2af2 h ASP 125 N 5.71 0.00 -4.56 -0.34 3.58 -1.71 -3.49 116.42 115.61 2af2 h ASP 125 Ca -0.28 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2af2 h ASP 125 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 2af2 h ASP 125 CO 0.48 0.70 -0.53 0.18 -2.88 0.00 0.00 179.24 177.19 2af2 n LEU 126 N -4.67 -6.23 0.00 2.28 4.32 0.15 -4.86 117.00 107.98 2af2 n LEU 126 Ca -0.06 0.70 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 2af2 n LEU 126 Cb 0.19 -2.68 0.00 0.00 -1.62 0.00 0.00 43.42 39.31 2af2 n LEU 126 CO 0.08 -1.97 0.00 0.61 -1.22 0.00 0.00 177.39 174.88 2af2 n GLY 127 N 0.07 1.01 2.18 -0.72 0.00 -0.07 -3.82 105.19 103.84 2af2 n GLY 127 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2af2 n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2af2 n LYS 128 N 0.00 0.00 0.00 1.61 4.81 -1.23 -4.48 118.16 118.87 2af2 n LYS 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2af2 n LYS 128 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2af2 n GLY 129 N -0.90 2.19 0.19 3.14 0.00 -1.26 -3.05 105.19 105.51 2af2 n GLY 129 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.61 3.76 -0.02 0.00 -1.26 -5.12 105.19 101.94 2af2 n GLY 130 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 -0.29 0.13 1.61 4.22 -1.17 -5.08 114.94 113.69 2af2 s ASN 131 Ca 0.02 -0.45 -0.31 0.00 -2.14 0.00 0.00 52.86 49.98 2af2 s ASN 131 Cb 0.02 0.65 -0.08 0.00 1.28 0.00 0.00 41.25 43.11 2af2 s ASN 131 CO 0.00 -1.17 1.56 -0.08 -2.04 0.00 0.00 177.10 175.37 2af2 h GLU 132 N 2.00 -0.46 -1.26 3.55 4.81 -2.01 -2.18 114.58 119.02 2af2 h GLU 132 Ca -0.22 0.03 0.36 0.00 -0.13 0.00 0.00 59.36 59.40 2af2 h GLU 132 Cb 1.25 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.67 2af2 h GLU 132 CO 0.26 -0.31 0.88 0.93 -0.73 0.00 0.00 179.01 180.05 2af2 h GLU 133 N -0.48 0.08 0.00 1.92 4.39 -1.96 0.41 114.58 118.95 2af2 h GLU 133 Ca 0.07 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2af2 h GLU 133 Cb 0.64 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2af2 h GLU 133 CO -0.49 0.06 -0.09 0.77 -1.16 0.00 0.00 179.01 178.09 2af2 h SER 134 N 0.09 0.00 0.01 1.42 0.02 -1.64 0.03 113.55 113.48 2af2 h SER 134 Ca 0.64 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 61.24 2af2 h SER 134 Cb 2.32 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 64.80 2af2 h SER 134 CO -0.11 0.09 -2.36 1.07 -1.14 0.00 0.00 176.83 174.38 2af2 n THR 135 N -3.44 1.33 -0.07 -2.27 5.66 -0.00 -0.89 114.28 114.59 2af2 n THR 135 Ca -0.01 -0.84 -0.15 0.00 -3.05 0.00 0.00 64.05 60.00 2af2 n THR 135 Cb 0.24 -0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 68.52 2af2 n THR 135 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2af2 h LYS 136 N 0.00 0.76 0.00 1.09 3.64 -0.71 -2.83 116.57 118.53 2af2 h LYS 136 Ca -0.52 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.38 2af2 h LYS 136 Cb 2.19 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 34.07 2af2 h LYS 136 CO 0.03 1.11 -0.78 0.25 -2.27 0.00 0.00 179.45 177.79 2af2 n THR 137 N -4.13 0.00 0.00 1.00 -2.24 -0.08 -4.87 114.28 103.95 2af2 n THR 137 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2af2 n THR 137 Cb 0.58 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 2.49 1.80 1.33 3.38 0.00 -0.71 -4.74 105.19 108.74 2af2 n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2af2 n ASN 139 N 0.00 -0.24 0.00 1.61 4.05 -0.90 -0.67 115.26 119.11 2af2 n ASN 139 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2af2 n ASN 139 Cb 0.00 -0.04 0.00 0.00 1.23 0.00 0.00 39.78 40.97 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 -0.59 0.86 -0.92 5.20 0.00 -1.26 -4.79 120.51 119.01 2af2 n ALA 140 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 140 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.28 0.15 3.93 0.00 0.00 -1.26 -3.89 105.19 102.84 2af2 n GLY 141 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.05 -0.00 1.04 1.61 0.15 -1.26 -4.90 113.70 108.28 2af2 s SER 142 Ca 0.00 -0.27 -0.08 0.00 0.70 0.00 0.00 55.95 56.30 2af2 s SER 142 Cb 0.00 0.20 0.11 0.00 -1.71 0.00 0.00 66.02 64.63 2af2 s SER 142 CO 0.00 -0.40 0.56 -2.11 1.20 0.00 0.00 173.24 172.48 2af2 n ARG 143 N -0.82 -1.07 0.00 5.44 1.85 -1.26 -4.30 116.66 116.49 2af2 n ARG 143 Ca 0.01 -0.87 0.00 0.00 -1.00 0.00 0.00 57.85 55.99 2af2 n ARG 143 Cb 0.59 -0.65 0.00 0.00 -1.05 0.00 0.00 32.46 31.35 2af2 n ARG 143 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2af2 n LEU 144 N 0.00 0.00 -4.76 2.89 0.00 -0.79 -0.63 117.00 113.70 2af2 n LEU 144 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.69 2af2 n LEU 144 Cb 0.26 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.70 2af2 n LEU 144 CO 0.19 0.00 1.00 0.00 0.00 0.00 0.00 177.39 178.58 2af2 s ALA 145 N -1.00 3.08 -0.14 1.96 0.00 -1.26 -4.37 121.76 120.03 2af2 s ALA 145 Ca 0.00 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 2af2 s ALA 145 Cb 0.00 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 19.63 2af2 s ALA 145 CO 0.00 -1.14 0.61 0.00 0.00 0.00 0.00 175.76 175.23 2af2 s GLY 147 N -0.45 -0.45 0.51 0.00 0.00 -0.46 -0.67 107.32 105.80 2af2 s GLY 147 Ca -0.06 0.36 -0.18 0.00 0.00 0.00 0.00 44.72 44.85 2af2 s GLY 147 CO 0.05 0.12 0.99 0.54 0.00 0.00 0.00 173.10 174.80 2af2 s VAL 148 N -3.66 4.35 -0.42 1.40 0.11 -1.22 -0.46 120.40 120.51 2af2 s VAL 148 Ca 0.05 1.22 -0.24 0.00 -2.93 0.00 0.00 61.98 60.08 2af2 s VAL 148 Cb -0.02 -3.63 0.02 0.00 -1.53 0.00 0.00 36.38 31.22 2af2 s VAL 148 CO -0.07 -0.56 0.82 -0.63 -3.33 0.00 0.00 175.10 171.34 2af2 s ILE 149 N -2.47 4.63 0.00 7.04 -1.09 -0.54 -4.53 121.20 124.25 2af2 s ILE 149 Ca 0.61 0.68 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 2af2 s ILE 149 Cb -0.11 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 2af2 s ILE 149 CO 0.28 -0.65 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 2af2 n GLY 150 N 4.80 2.94 3.21 6.18 0.00 -1.23 -1.60 105.19 119.49 2af2 n GLY 150 Ca 0.04 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 2.20 0.04 0.00 -0.61 -5.25 -1.26 -4.30 121.20 112.03 2af2 s ILE 151 Ca 0.00 -1.91 0.00 0.00 -0.99 0.00 0.00 60.65 57.75 2af2 s ILE 151 Cb 0.00 -2.28 0.00 0.00 2.95 0.00 0.00 42.46 43.13 2af2 s ILE 151 CO 0.00 -0.19 0.00 0.00 -1.79 0.00 0.00 174.94 172.96 2af2 n ALA 152 N -0.21 0.26 -0.03 2.27 0.00 -1.24 -4.91 120.51 116.66 2af2 n ALA 152 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2af2 n ALA 152 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2af2 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50