#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3adf h PRO 6 N 0.00 0.00 -5.03 1.97 0.11 -1.99 -3.39 132.00 123.67 3adf h PRO 6 Ca 0.00 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.49 3adf h PRO 6 Cb 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 3adf h PRO 6 CO 0.00 0.00 -0.86 -2.00 -0.21 0.00 0.00 178.00 174.93 3adf s GLU 7 N -4.89 2.55 -0.02 1.05 2.12 -1.26 -3.76 118.70 114.49 3adf s GLU 7 Ca -0.05 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.62 3adf s GLU 7 Cb 0.16 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.57 3adf s GLU 7 CO 0.63 0.11 -0.14 -1.64 -0.54 0.00 0.00 175.26 173.68 3adf s MET 8 N 0.50 1.19 0.49 4.30 -1.94 -0.85 -4.99 119.30 117.99 3adf s MET 8 Ca -0.16 -0.48 -0.11 0.00 -1.71 0.00 0.00 55.69 53.22 3adf s MET 8 Cb -0.17 -1.12 -0.06 0.00 2.01 0.00 0.00 34.83 35.49 3adf s MET 8 CO 0.06 0.26 0.87 0.15 -0.01 0.00 0.00 175.02 176.36 3adf s LYS 9 N -0.19 3.74 -0.08 2.03 1.02 0.25 -2.47 119.74 124.03 3adf s LYS 9 Ca 0.03 0.59 0.03 0.00 0.02 0.00 0.00 55.97 56.63 3adf s LYS 9 Cb -0.07 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.98 3adf s LYS 9 CO -0.00 -0.22 -0.17 0.42 -0.92 0.00 0.00 175.35 174.46 3adf s ILE 10 N -2.65 1.50 -0.01 2.17 1.01 0.22 0.53 121.20 123.97 3adf s ILE 10 Ca 0.53 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.54 3adf s ILE 10 Cb -0.10 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 3adf s ILE 10 CO 0.38 0.44 -0.16 -0.75 0.00 0.00 0.00 174.94 174.85 3adf s LYS 11 N 0.60 1.29 0.00 2.79 2.47 0.60 -1.24 119.74 126.25 3adf s LYS 11 Ca -0.15 -0.56 -0.17 0.00 -1.56 0.00 0.00 55.97 53.54 3adf s LYS 11 Cb -0.16 -1.24 0.03 0.00 -1.46 0.00 0.00 37.83 35.00 3adf s LYS 11 CO 0.05 0.32 0.36 -0.48 0.16 0.00 0.00 175.35 175.76 3adf s LEU 12 N -0.32 0.65 -0.09 5.43 0.05 -0.08 -0.89 118.68 123.43 3adf s LEU 12 Ca 0.05 0.08 0.02 0.00 0.05 0.00 0.00 54.13 54.34 3adf s LEU 12 Cb -0.06 1.47 0.01 0.00 -2.05 0.00 0.00 46.19 45.55 3adf s LEU 12 CO -0.00 -0.52 -0.15 0.00 -0.55 0.00 0.00 176.35 175.13 3adf s MET 14 N 0.76 3.58 -0.13 0.00 0.00 0.01 -1.37 119.30 122.15 3adf s MET 14 Ca -0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 55.69 55.00 3adf s MET 14 Cb -0.16 -2.93 -0.02 0.00 0.00 0.00 0.00 34.83 31.72 3adf s MET 14 CO 0.02 0.12 -0.10 1.03 0.00 0.00 0.00 175.02 176.09 3adf s ARG 15 N 0.68 3.43 0.32 4.11 0.52 -0.01 -1.04 118.95 126.96 3adf s ARG 15 Ca -0.02 -0.62 -0.14 0.00 -0.52 0.00 0.00 55.73 54.43 3adf s ARG 15 Cb -0.15 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3adf s ARG 15 CO 0.02 0.26 0.63 0.20 0.02 0.00 0.00 175.30 176.43 3adf s GLY 16 N 0.26 0.52 -0.10 -3.53 0.00 -0.15 -1.96 107.32 102.36 3adf s GLY 16 Ca -0.07 -0.83 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 3adf s GLY 16 CO 0.04 -0.48 0.26 -1.59 0.00 0.00 0.00 173.10 171.34 3adf s THR 17 N -3.28 -0.01 -0.05 0.90 2.01 -0.61 -1.08 115.64 113.52 3adf s THR 17 Ca 0.19 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.25 3adf s THR 17 Cb -0.03 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.12 3adf s THR 17 CO 0.11 0.02 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.34 3adf s VAL 18 N 0.54 0.47 -1.37 3.82 1.01 -0.48 -0.54 120.40 123.84 3adf s VAL 18 Ca -0.03 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3adf s VAL 18 Cb -0.05 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.82 3adf s VAL 18 CO -0.03 0.22 0.11 0.59 0.00 0.00 0.00 175.10 175.98 3adf n ASN 19 N 4.20 0.09 0.00 3.32 4.13 0.03 -0.16 115.26 126.88 3adf n ASN 19 Ca -0.23 -1.18 0.00 0.00 1.68 0.00 0.00 54.58 54.85 3adf n ASN 19 Cb 0.51 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 3adf n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3adf n GLY 20 N -2.39 2.95 3.59 7.41 0.00 -1.26 -4.97 105.19 110.52 3adf n GLY 20 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3adf n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3adf s HIS 21 N -2.71 3.16 0.44 1.61 5.04 0.78 -5.04 115.29 118.58 3adf s HIS 21 Ca 0.00 0.52 -0.22 0.00 -1.54 0.00 0.00 55.06 53.82 3adf s HIS 21 Cb 0.00 -3.20 -0.09 0.00 0.04 0.00 0.00 32.58 29.33 3adf s HIS 21 CO 0.00 -0.62 1.01 -0.80 -2.34 0.00 0.00 174.74 171.99 3adf s ASN 22 N 1.75 6.64 0.13 9.88 0.01 -1.26 -1.38 114.94 130.71 3adf s ASN 22 Ca 0.28 1.89 -0.25 0.00 -0.71 0.00 0.00 52.86 54.07 3adf s ASN 22 Cb -0.14 -2.56 0.07 0.00 0.41 0.00 0.00 41.25 39.03 3adf s ASN 22 CO 0.14 -0.57 0.73 0.72 -1.51 0.00 0.00 177.10 176.62 3adf s PHE 23 N -1.94 -0.40 -0.00 2.20 -0.12 -0.24 -4.23 117.98 113.24 3adf s PHE 23 Ca 0.63 0.17 0.01 0.00 -0.05 0.00 0.00 56.93 57.69 3adf s PHE 23 Cb -0.16 0.58 -0.00 0.00 -0.63 0.00 0.00 43.02 42.81 3adf s PHE 23 CO 0.20 -0.81 -0.03 0.08 -0.05 0.00 0.00 175.22 174.62 3adf s VAL 24 N -3.54 0.22 -0.02 -2.49 1.01 -0.74 -0.98 120.40 113.85 3adf s VAL 24 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.94 3adf s VAL 24 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.17 3adf s VAL 24 CO -0.08 0.07 -0.09 -0.63 0.00 0.00 0.00 175.10 174.37 3adf s ILE 25 N -0.00 0.79 0.20 2.22 1.01 -0.21 -0.97 121.20 124.24 3adf s ILE 25 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.34 3adf s ILE 25 Cb -0.02 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 3adf s ILE 25 CO -0.00 0.25 0.16 -1.61 0.00 0.00 0.00 174.94 173.73 3adf s GLU 26 N 0.13 2.90 -0.02 2.79 2.02 0.33 -0.81 118.70 126.05 3adf s GLU 26 Ca -0.02 -0.95 -0.20 0.00 0.02 0.00 0.00 54.97 53.82 3adf s GLU 26 Cb -0.08 -2.61 0.04 0.00 0.10 0.00 0.00 34.13 31.58 3adf s GLU 26 CO 0.00 0.45 0.44 0.20 0.02 0.00 0.00 175.26 176.38 3adf s GLY 27 N -3.38 -0.30 0.02 -1.39 0.00 -0.28 0.27 107.32 102.26 3adf s GLY 27 Ca 0.32 0.64 -0.04 0.00 0.00 0.00 0.00 44.72 45.63 3adf s GLY 27 CO 0.24 0.37 0.07 -0.54 0.00 0.00 0.00 173.10 173.24 3adf s GLU 28 N -1.44 0.48 0.00 2.90 2.02 -0.68 -0.91 118.70 121.07 3adf s GLU 28 Ca -0.12 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.24 3adf s GLU 28 Cb -0.03 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.39 3adf s GLU 28 CO 0.05 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.63 3adf n GLY 29 N 1.17 1.47 3.27 -1.39 0.00 -0.38 0.12 105.19 109.45 3adf n GLY 29 Ca -0.21 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3adf n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3adf s LYS 30 N 0.59 0.84 0.35 1.61 1.02 -0.52 -0.61 119.74 123.01 3adf s LYS 30 Ca 0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 55.97 55.44 3adf s LYS 30 Cb 0.00 0.37 0.04 0.00 -0.52 0.00 0.00 37.83 37.72 3adf s LYS 30 CO 0.00 -0.27 0.64 0.41 -0.92 0.00 0.00 175.35 175.21 3adf n GLY 31 N 0.59 1.36 2.86 -3.33 0.00 -1.03 -0.55 105.19 105.09 3adf n GLY 31 Ca -0.19 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 3adf n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3adf s ASN 32 N -2.89 4.16 0.26 1.61 0.01 0.13 -2.01 114.94 116.21 3adf s ASN 32 Ca 0.17 -2.54 -0.02 0.00 -0.71 0.00 0.00 52.86 49.76 3adf s ASN 32 Cb -0.04 -1.34 0.56 0.00 0.41 0.00 0.00 41.25 40.84 3adf s ASN 32 CO 0.13 -0.30 1.66 -0.65 -1.51 0.00 0.00 177.10 176.44 3adf h PRO 33 N 7.00 0.23 0.00 -0.60 0.11 -1.78 0.27 132.00 137.23 3adf h PRO 33 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3adf h PRO 33 Cb 0.94 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3adf h PRO 33 CO 0.56 0.15 0.00 1.88 -0.21 0.00 0.00 178.00 180.38 3adf h TYR 34 N 0.23 0.00 0.00 0.65 0.05 -1.82 -2.25 116.97 113.83 3adf h TYR 34 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.25 3adf h TYR 34 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3adf h TYR 34 CO -0.28 0.00 -0.71 0.39 -1.05 0.00 0.00 178.16 176.51 3adf n GLU 35 N -2.37 0.06 -1.67 4.88 -0.58 0.86 -4.38 120.64 117.44 3adf n GLU 35 Ca 0.04 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.67 3adf n GLU 35 Cb 0.34 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 3adf n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3adf n GLY 36 N 1.47 0.69 3.33 0.62 0.00 -0.58 -4.44 105.19 106.28 3adf n GLY 36 Ca 0.04 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 3adf n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3adf s THR 37 N -2.45 1.82 -0.06 2.61 -4.23 -1.20 -0.46 115.64 111.67 3adf s THR 37 Ca 0.00 -1.87 -0.29 0.00 -1.18 0.00 0.00 61.69 58.35 3adf s THR 37 Cb 0.00 -1.81 0.09 0.00 1.34 0.00 0.00 72.50 72.12 3adf s THR 37 CO 0.00 -0.27 0.81 0.00 -0.54 0.00 0.00 174.62 174.61 3adf s GLN 38 N -2.67 0.90 -0.04 3.99 -2.07 -1.02 0.19 119.66 118.95 3adf s GLN 38 Ca 0.15 0.06 0.06 0.00 -1.82 0.00 0.00 55.36 53.81 3adf s GLN 38 Cb -0.06 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 3adf s GLN 38 CO 0.06 -0.31 -0.23 0.42 -1.32 0.00 0.00 175.29 173.92 3adf s ILE 39 N -1.72 1.83 -0.04 3.63 1.01 0.28 -2.37 121.20 123.81 3adf s ILE 39 Ca -0.04 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.68 3adf s ILE 39 Cb -0.00 -1.54 -0.00 0.00 0.01 0.00 0.00 42.46 40.93 3adf s ILE 39 CO 0.02 0.51 -0.16 -0.22 0.00 0.00 0.00 174.94 175.09 3adf s LEU 40 N -0.30 1.89 -0.25 2.97 2.96 0.20 -1.44 118.68 124.72 3adf s LEU 40 Ca 0.02 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 3adf s LEU 40 Cb -0.11 -0.93 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3adf s LEU 40 CO 0.01 0.13 0.06 -1.81 -1.32 0.00 0.00 176.35 173.43 3adf s ASP 41 N 0.11 5.09 -0.10 3.68 1.01 0.12 -0.43 116.67 126.16 3adf s ASP 41 Ca -0.05 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.02 3adf s ASP 41 Cb -0.12 -1.91 -0.02 0.00 1.01 0.00 0.00 42.92 41.88 3adf s ASP 41 CO 0.02 -0.03 -0.16 -0.76 0.21 0.00 0.00 175.17 174.45 3adf s LEU 42 N 1.58 2.57 -0.18 1.23 1.43 0.37 -1.69 118.68 123.99 3adf s LEU 42 Ca 0.06 -0.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3adf s LEU 42 Cb -0.15 -1.54 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3adf s LEU 42 CO 0.03 0.22 -0.12 0.20 0.23 0.00 0.00 176.35 176.92 3adf s ASN 43 N 0.00 3.11 0.21 2.29 -0.87 0.14 -1.97 114.94 117.85 3adf s ASN 43 Ca -0.05 -0.73 -0.31 0.00 -1.57 0.00 0.00 52.86 50.20 3adf s ASN 43 Cb -0.14 -1.21 -0.11 0.00 -0.02 0.00 0.00 41.25 39.77 3adf s ASN 43 CO 0.04 -0.11 1.60 -0.69 -2.57 0.00 0.00 177.10 175.37 3adf s VAL 44 N 1.43 2.37 0.00 1.60 1.01 -0.22 -0.51 120.40 126.08 3adf s VAL 44 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3adf s VAL 44 Cb -0.15 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3adf s VAL 44 CO -0.09 0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.39 3adf n THR 45 N 3.49 0.00 -3.72 3.92 -2.24 -0.14 -4.91 114.28 110.68 3adf n THR 45 Ca 0.13 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 3adf n THR 45 Cb 0.38 0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 3adf n THR 45 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3adf s GLU 46 N -0.90 0.47 0.00 -0.78 2.02 -1.16 -4.91 118.70 113.44 3adf s GLU 46 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 54.97 55.63 3adf s GLU 46 Cb 0.00 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.41 3adf s GLU 46 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.61 3adf n GLY 47 N 3.18 0.63 3.77 -1.39 0.00 -1.26 -1.79 105.19 108.33 3adf n GLY 47 Ca -0.16 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3adf n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3adf s ALA 48 N -2.00 3.02 -0.02 4.61 0.00 -1.26 -3.73 121.76 122.38 3adf s ALA 48 Ca 0.00 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 3adf s ALA 48 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3adf s ALA 48 CO 0.00 -0.53 0.93 -1.25 0.00 0.00 0.00 175.76 174.91 3adf s PRO 49 N -2.62 4.53 0.16 0.00 0.04 -1.26 -5.09 135.00 130.77 3adf s PRO 49 Ca 0.62 1.31 -0.34 0.00 0.04 0.00 0.00 61.00 62.63 3adf s PRO 49 Cb -0.27 -3.46 -0.15 0.00 0.04 0.00 0.00 34.50 30.67 3adf s PRO 49 CO 0.33 -0.04 1.44 1.28 0.04 0.00 0.00 177.00 180.06 3adf n LEU 50 N 3.91 2.62 -1.14 -3.56 4.77 -1.24 -4.87 117.00 117.49 3adf n LEU 50 Ca 0.05 1.11 0.07 0.00 -0.03 0.00 0.00 56.01 57.21 3adf n LEU 50 Cb 0.51 -1.35 0.25 0.00 -2.33 0.00 0.00 43.42 40.49 3adf n LEU 50 CO 0.51 -0.61 0.69 -0.81 -1.33 0.00 0.00 177.39 175.84 3adf n PRO 51 N 2.71 2.73 -4.23 3.23 -0.04 -1.26 -4.93 135.00 133.20 3adf n PRO 51 Ca 0.16 -1.98 -0.13 0.00 -0.04 0.00 0.00 63.50 61.50 3adf n PRO 51 Cb 0.27 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 3adf n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3adf s PHE 52 N -1.62 1.18 -0.22 0.54 -0.12 -1.26 -4.63 117.98 111.85 3adf s PHE 52 Ca 0.36 -1.06 -0.29 0.00 -0.05 0.00 0.00 56.93 55.90 3adf s PHE 52 Cb 0.22 -0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 41.90 3adf s PHE 52 CO 0.19 -0.26 1.84 0.00 -0.05 0.00 0.00 175.22 176.95 3adf s ALA 53 N -3.71 3.09 0.51 1.99 0.00 0.09 -4.86 121.76 118.86 3adf s ALA 53 Ca 0.25 0.59 0.40 0.00 0.00 0.00 0.00 51.96 53.21 3adf s ALA 53 Cb 0.06 -3.94 1.59 0.00 0.00 0.00 0.00 23.12 20.83 3adf s ALA 53 CO 0.04 -2.27 1.65 -0.92 0.00 0.00 0.00 175.76 174.26 3adf h TYR 54 N 12.23 0.18 -0.48 0.00 3.20 -1.95 -0.78 116.97 129.36 3adf h TYR 54 Ca -0.37 0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.63 3adf h TYR 54 Cb 1.19 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3adf h TYR 54 CO 0.93 -0.06 0.34 -0.44 -1.64 0.00 0.00 178.16 177.30 3adf h ASP 55 N 0.04 0.07 0.26 -2.11 3.32 -1.95 0.49 116.42 116.53 3adf h ASP 55 Ca 0.81 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.86 3adf h ASP 55 Cb 3.01 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 42.55 3adf h ASP 55 CO -0.14 0.04 0.00 0.16 -1.72 0.00 0.00 179.24 177.58 3adf h ILE 56 N 0.07 0.00 0.00 0.35 3.07 -1.53 -2.94 117.51 116.54 3adf h ILE 56 Ca 0.23 -0.10 -0.04 0.00 1.55 0.00 0.00 64.86 66.50 3adf h ILE 56 Cb 0.82 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.14 3adf h ILE 56 CO -0.02 0.00 -1.77 0.18 -1.05 0.00 0.00 178.15 175.49 3adf n LEU 57 N -2.47 0.25 -0.11 0.16 4.77 0.16 -4.69 117.00 115.06 3adf n LEU 57 Ca -0.01 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 3adf n LEU 57 Cb 0.11 0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 3adf n LEU 57 CO 0.15 0.01 0.92 0.71 -1.33 0.00 0.00 177.39 177.86 3adf h THR 58 N 0.00 1.17 0.00 -5.08 1.35 -1.52 -1.26 112.91 107.56 3adf h THR 58 Ca -0.06 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3adf h THR 58 Cb 1.15 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3adf h THR 58 CO 0.01 0.18 0.00 0.35 -0.25 0.00 0.00 175.52 175.80 3adf n THR 59 N -4.73 0.55 -0.01 6.82 -2.24 -1.26 -2.23 114.28 111.18 3adf n THR 59 Ca -0.01 0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.76 3adf n THR 59 Cb 0.12 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 67.28 3adf n THR 59 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3adf n VAL 60 N -1.24 1.70 -0.58 2.28 0.31 -0.49 -4.82 118.33 115.48 3adf n VAL 60 Ca 0.07 -0.73 -0.25 0.00 -0.01 0.00 0.00 64.34 63.42 3adf n VAL 60 Cb 0.09 -1.38 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 3adf n VAL 60 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3adf n PHE 61 N -3.26 0.84 0.00 3.52 3.72 -0.95 -5.04 117.46 116.29 3adf n PHE 61 Ca -0.24 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 55.92 3adf n PHE 61 Cb 1.05 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 3adf n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3adf n ASN 65 N 6.13 0.00 0.10 4.37 5.15 -1.26 -5.12 115.26 124.62 3adf n ASN 65 Ca 0.34 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.41 3adf n ASN 65 Cb 0.21 0.00 0.42 0.00 -0.53 0.00 0.00 39.78 39.88 3adf n ASN 65 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3adf n ARG 66 N 0.00 0.12 -0.34 1.20 5.12 -1.26 -1.76 116.66 119.74 3adf n ARG 66 Ca 0.00 0.46 0.21 0.00 -1.93 0.00 0.00 57.85 56.59 3adf n ARG 66 Cb 0.00 -1.78 0.45 0.00 -1.16 0.00 0.00 32.46 29.97 3adf n ARG 66 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3adf h ALA 67 N 2.21 1.99 -0.10 7.54 0.00 -1.97 -3.03 119.26 125.90 3adf h ALA 67 Ca 0.00 0.12 -0.71 0.00 0.00 0.00 0.00 54.91 54.32 3adf h ALA 67 Cb 0.20 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3adf h ALA 67 CO 0.00 -0.49 3.09 1.19 0.00 0.00 0.00 179.25 183.04 3adf n PHE 68 N -4.85 3.37 -3.88 0.00 3.72 -0.72 -4.70 117.46 110.40 3adf n PHE 68 Ca 0.28 -2.97 -0.12 0.00 -0.05 0.00 0.00 57.45 54.60 3adf n PHE 68 Cb 0.87 -2.49 -0.14 0.00 -0.94 0.00 0.00 39.48 36.79 3adf n PHE 68 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3adf s THR 69 N 2.78 0.01 -0.41 4.37 2.01 -1.15 -4.49 115.64 118.77 3adf s THR 69 Ca 0.48 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 3adf s THR 69 Cb 0.14 -0.05 0.02 0.00 0.01 0.00 0.00 72.50 72.62 3adf s THR 69 CO -0.08 -0.05 0.89 -0.75 -0.69 0.00 0.00 174.62 173.94 3adf s LYS 70 N -0.13 3.66 -0.34 4.92 2.20 -0.23 -4.25 119.74 125.56 3adf s LYS 70 Ca -0.02 0.29 -0.09 0.00 -0.36 0.00 0.00 55.97 55.80 3adf s LYS 70 Cb -0.01 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.47 3adf s LYS 70 CO -0.00 -1.06 0.15 0.71 -0.36 0.00 0.00 175.35 174.79 3adf s TYR 71 N 3.50 3.22 0.23 4.03 1.51 -1.26 -0.11 117.35 128.47 3adf s TYR 71 Ca 0.36 -1.04 -0.32 0.00 -1.01 0.00 0.00 57.07 55.06 3adf s TYR 71 Cb -0.11 -2.35 -0.14 0.00 -0.11 0.00 0.00 41.96 39.25 3adf s TYR 71 CO 0.22 -0.63 1.41 -0.35 -1.11 0.00 0.00 175.55 175.09 3adf n PRO 72 N 4.92 2.00 0.30 -1.71 -0.04 -1.26 -4.80 135.00 134.42 3adf n PRO 72 Ca -0.13 0.71 0.16 0.00 -0.04 0.00 0.00 63.50 64.21 3adf n PRO 72 Cb 0.46 -2.38 0.86 0.00 -0.04 0.00 0.00 33.50 32.41 3adf n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3adf h ALA 73 N 4.32 1.20 -0.54 0.55 0.00 -2.00 0.18 119.26 122.97 3adf h ALA 73 Ca -0.45 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 3adf h ALA 73 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3adf h ALA 73 CO 0.77 -0.20 0.07 -0.44 0.00 0.00 0.00 179.25 179.45 3adf h ASP 74 N 0.00 0.83 -3.30 0.00 3.45 -2.04 -3.43 116.42 111.93 3adf h ASP 74 Ca 0.00 -0.18 -0.56 0.00 0.43 0.00 0.00 57.03 56.72 3adf h ASP 74 Cb 0.41 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 3adf h ASP 74 CO 0.00 0.85 -0.04 -0.63 -1.57 0.00 0.00 179.24 177.84 3adf s ILE 75 N -5.12 4.77 0.04 0.35 1.01 0.64 -5.05 121.20 117.84 3adf s ILE 75 Ca -0.10 1.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 3adf s ILE 75 Cb 0.15 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3adf s ILE 75 CO 0.81 0.40 1.22 -1.58 0.00 0.00 0.00 174.94 175.79 3adf s GLN 76 N -1.52 4.41 -1.07 2.79 0.74 -1.26 -4.78 119.66 118.97 3adf s GLN 76 Ca 0.34 1.78 -0.13 0.00 0.05 0.00 0.00 55.36 57.40 3adf s GLN 76 Cb -0.17 -3.39 0.21 0.00 1.10 0.00 0.00 33.01 30.76 3adf s GLN 76 CO 0.19 -0.31 1.16 0.34 -0.55 0.00 0.00 175.29 176.12 3adf s ASP 77 N 1.17 7.06 0.30 6.67 2.15 -1.26 -4.87 116.67 127.89 3adf s ASP 77 Ca 0.59 -3.05 0.05 0.00 0.43 0.00 0.00 52.55 50.57 3adf s ASP 77 Cb -0.29 -2.30 0.72 0.00 -0.30 0.00 0.00 42.92 40.75 3adf s ASP 77 CO 0.28 -0.58 1.77 0.22 -0.17 0.00 0.00 175.17 176.69 3adf h TYR 78 N 7.30 1.02 -0.03 -5.34 3.20 -1.93 -2.71 116.97 118.50 3adf h TYR 78 Ca 0.21 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3adf h TYR 78 Cb 0.92 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.89 3adf h TYR 78 CO 0.97 0.22 -0.21 0.74 -1.64 0.00 0.00 178.16 178.23 3adf h PHE 79 N 0.73 0.27 -0.32 -3.82 0.04 -1.89 -2.79 116.94 109.16 3adf h PHE 79 Ca 0.57 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 61.15 3adf h PHE 79 Cb 0.88 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 3adf h PHE 79 CO -0.02 0.87 -0.08 0.87 -0.60 0.00 0.00 178.31 179.35 3adf h LYS 80 N -0.41 0.52 0.00 1.51 1.57 -1.87 -2.57 116.57 115.32 3adf h LYS 80 Ca -0.02 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3adf h LYS 80 Cb 0.91 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3adf h LYS 80 CO 0.04 0.61 0.00 1.96 -0.57 0.00 0.00 179.45 181.49 3adf h GLN 81 N 0.49 0.00 -0.00 3.15 1.08 -1.25 -2.63 115.11 115.95 3adf h GLN 81 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3adf h GLN 81 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 3adf h GLN 81 CO 0.02 0.00 -0.22 0.25 -0.95 0.00 0.00 178.83 177.93 3adf n THR 82 N -2.44 0.00 -3.64 -0.54 -2.24 -0.97 -4.88 114.28 99.58 3adf n THR 82 Ca -0.01 -0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.53 3adf n THR 82 Cb 0.10 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 3adf n THR 82 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3adf s PHE 83 N -2.83 3.43 -1.15 4.78 0.40 -0.99 0.67 117.98 122.30 3adf s PHE 83 Ca 0.18 0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.53 3adf s PHE 83 Cb 0.19 -1.78 0.25 0.00 0.51 0.00 0.00 43.02 42.19 3adf s PHE 83 CO 0.57 0.23 1.22 -0.35 0.70 0.00 0.00 175.22 177.60 3adf n PRO 84 N -1.62 3.49 0.00 0.24 -0.04 -1.26 -4.85 135.00 130.96 3adf n PRO 84 Ca -0.06 -4.27 0.00 0.00 -0.04 0.00 0.00 63.50 59.13 3adf n PRO 84 Cb 0.57 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3adf n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3adf n GLU 85 N 3.60 0.09 0.00 0.54 4.71 -1.00 -4.92 120.64 123.66 3adf n GLU 85 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 3adf n GLU 85 Cb 0.40 -0.53 0.00 0.00 -1.01 0.00 0.00 31.44 30.30 3adf n GLU 85 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3adf n GLY 86 N 1.31 -1.00 3.84 0.62 0.00 0.21 -4.70 105.19 105.47 3adf n GLY 86 Ca 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.31 3adf n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3adf s TYR 87 N 0.00 0.04 0.07 1.61 -0.85 -0.80 -1.89 117.35 115.54 3adf s TYR 87 Ca 0.00 -0.53 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 3adf s TYR 87 Cb 0.00 0.74 -0.04 0.00 0.38 0.00 0.00 41.96 43.04 3adf s TYR 87 CO 0.00 -1.14 -0.05 -3.38 -1.52 0.00 0.00 175.55 169.46 3adf s HIS 88 N -2.47 0.70 0.06 -3.49 -3.43 -0.46 -0.62 115.29 105.58 3adf s HIS 88 Ca 0.18 -0.93 0.01 0.00 -0.80 0.00 0.00 55.06 53.52 3adf s HIS 88 Cb -0.03 -0.44 -0.03 0.00 -1.43 0.00 0.00 32.58 30.64 3adf s HIS 88 CO 0.07 -0.24 -0.06 1.67 -2.00 0.00 0.00 174.74 174.18 3adf s TRP 89 N -3.51 0.66 -0.00 0.38 1.48 -0.76 -1.23 118.94 115.95 3adf s TRP 89 Ca 0.07 -0.68 0.05 0.00 -1.06 0.00 0.00 56.10 54.49 3adf s TRP 89 Cb 0.05 -0.40 -0.02 0.00 -1.16 0.00 0.00 33.47 31.94 3adf s TRP 89 CO -0.06 -0.15 -0.17 -1.21 -4.06 0.00 0.00 176.95 171.30 3adf s GLU 90 N -2.44 1.32 -0.01 3.25 2.02 -0.34 -2.11 118.70 120.38 3adf s GLU 90 Ca -0.03 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.30 3adf s GLU 90 Cb -0.04 -1.30 0.00 0.00 0.10 0.00 0.00 34.13 32.90 3adf s GLU 90 CO -0.02 0.35 0.03 0.50 0.02 0.00 0.00 175.26 176.13 3adf s ARG 91 N -0.56 0.04 -0.03 1.61 3.52 -0.11 -0.21 118.95 123.20 3adf s ARG 91 Ca 0.06 0.03 0.06 0.00 -0.13 0.00 0.00 55.73 55.75 3adf s ARG 91 Cb -0.07 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 3adf s ARG 91 CO -0.00 -0.01 -0.22 -1.54 -0.81 0.00 0.00 175.30 172.72 3adf s SER 92 N -0.01 3.35 -0.29 -2.12 1.04 -0.71 -0.83 113.70 114.12 3adf s SER 92 Ca -0.00 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 56.05 3adf s SER 92 Cb -0.00 -0.56 0.08 0.00 0.10 0.00 0.00 66.02 65.64 3adf s SER 92 CO 0.00 0.32 0.02 -0.04 0.98 0.00 0.00 173.24 174.52 3adf s MET 93 N -0.58 1.32 -0.48 4.02 -1.94 0.90 -1.77 119.30 120.77 3adf s MET 93 Ca 0.09 -1.29 -0.17 0.00 -1.71 0.00 0.00 55.69 52.60 3adf s MET 93 Cb -0.11 -2.62 0.06 0.00 2.01 0.00 0.00 34.83 34.18 3adf s MET 93 CO 0.00 -0.82 0.51 0.99 -0.01 0.00 0.00 175.02 175.69 3adf s THR 94 N 1.30 5.05 0.50 2.05 2.01 -0.98 -0.44 115.64 125.14 3adf s THR 94 Ca 0.04 -0.73 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 3adf s THR 94 Cb -0.18 -4.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 3adf s THR 94 CO -0.12 -0.68 0.99 -0.31 -0.69 0.00 0.00 174.62 173.81 3adf s TYR 95 N 2.16 3.33 0.55 4.92 2.02 0.10 -1.40 117.35 129.03 3adf s TYR 95 Ca 0.10 1.51 0.25 0.00 -0.37 0.00 0.00 57.07 58.56 3adf s TYR 95 Cb -0.21 -2.85 1.47 0.00 -0.40 0.00 0.00 41.96 39.97 3adf s TYR 95 CO 0.10 -0.43 2.07 1.05 -1.57 0.00 0.00 175.55 176.76 3adf h GLU 96 N 1.13 0.00 -1.01 -0.62 4.11 -1.54 0.23 114.58 116.88 3adf h GLU 96 Ca -0.47 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 58.54 3adf h GLU 96 Cb 1.19 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.20 3adf h GLU 96 CO 0.61 0.00 0.53 -0.40 0.07 0.00 0.00 179.01 179.82 3adf n ASP 97 N -4.18 3.79 -0.46 3.06 5.75 -1.26 -4.93 116.55 118.32 3adf n ASP 97 Ca 0.04 -3.29 -0.05 0.00 -0.01 0.00 0.00 54.79 51.48 3adf n ASP 97 Cb 0.38 -0.78 -0.02 0.00 -1.03 0.00 0.00 41.12 39.66 3adf n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3adf n GLN 98 N -0.79 -1.82 -1.87 0.11 1.13 0.07 -4.76 117.38 109.46 3adf n GLN 98 Ca 0.48 0.62 -0.42 0.00 -1.94 0.00 0.00 57.00 55.74 3adf n GLN 98 Cb 1.39 -4.87 -0.03 0.00 0.11 0.00 0.00 30.24 26.84 3adf n GLN 98 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3adf s GLY 99 N -1.96 1.70 -0.03 1.08 0.00 -1.23 -4.76 107.32 102.11 3adf s GLY 99 Ca 0.00 1.45 0.02 0.00 0.00 0.00 0.00 44.72 46.19 3adf s GLY 99 CO 0.00 2.62 -0.07 -0.42 0.00 0.00 0.00 173.10 175.23 3adf s ILE 100 N 0.76 0.64 0.09 0.90 -1.09 -0.63 -0.72 121.20 121.14 3adf s ILE 100 Ca 0.68 -0.26 0.07 0.00 -2.23 0.00 0.00 60.65 58.92 3adf s ILE 100 Cb -0.46 -0.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.79 3adf s ILE 100 CO 0.36 0.22 -0.20 0.00 -1.23 0.00 0.00 174.94 174.10 3adf s THR 102 N -1.11 2.05 -0.07 0.00 -4.23 -0.03 -0.07 115.64 112.18 3adf s THR 102 Ca 0.05 -1.79 -0.11 0.00 -1.18 0.00 0.00 61.69 58.66 3adf s THR 102 Cb -0.10 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.89 3adf s THR 102 CO 0.03 -0.07 0.28 0.00 -0.54 0.00 0.00 174.62 174.32 3adf s ALA 103 N -1.41 -0.69 0.05 3.99 0.00 -0.01 -1.23 121.76 122.46 3adf s ALA 103 Ca 0.14 0.55 0.05 0.00 0.00 0.00 0.00 51.96 52.70 3adf s ALA 103 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3adf s ALA 103 CO 0.06 -0.18 -0.15 0.99 0.00 0.00 0.00 175.76 176.49 3adf s THR 104 N -0.49 1.15 -0.05 0.00 2.01 -0.25 -0.94 115.64 117.08 3adf s THR 104 Ca -0.06 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 60.80 3adf s THR 104 Cb -0.04 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.45 3adf s THR 104 CO 0.02 -0.06 0.10 -0.55 -0.69 0.00 0.00 174.62 173.44 3adf s SER 105 N -1.35 0.38 -0.28 3.53 0.15 -0.90 -1.15 113.70 114.08 3adf s SER 105 Ca 0.01 0.19 -0.07 0.00 0.70 0.00 0.00 55.95 56.78 3adf s SER 105 Cb -0.09 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.29 3adf s SER 105 CO 0.02 -0.18 0.08 0.21 1.20 0.00 0.00 173.24 174.56 3adf s ASN 106 N 1.59 5.12 -0.13 5.45 2.47 0.05 -1.83 114.94 127.67 3adf s ASN 106 Ca -0.04 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 52.69 3adf s ASN 106 Cb -0.12 -1.89 -0.01 0.00 -1.45 0.00 0.00 41.25 37.77 3adf s ASN 106 CO -0.04 -0.15 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.42 3adf s ILE 107 N 1.54 3.00 0.34 -5.21 1.01 0.21 -1.36 121.20 120.72 3adf s ILE 107 Ca 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.05 3adf s ILE 107 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 3adf s ILE 107 CO 0.03 0.53 0.16 -1.54 0.00 0.00 0.00 174.94 174.12 3adf n SER 108 N 3.49 0.65 -3.89 3.58 3.41 0.25 -1.90 113.62 119.22 3adf n SER 108 Ca -0.18 -2.92 -0.15 0.00 -0.26 0.00 0.00 58.87 55.35 3adf n SER 108 Cb 0.53 1.08 -0.15 0.00 -0.26 0.00 0.00 64.21 65.40 3adf n SER 108 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3adf s MET 109 N -3.32 0.29 -0.12 4.33 1.75 -1.26 -0.27 119.30 120.69 3adf s MET 109 Ca 0.23 -0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.60 3adf s MET 109 Cb 0.01 -0.35 0.04 0.00 2.84 0.00 0.00 34.83 37.38 3adf s MET 109 CO 0.16 -0.01 0.02 1.03 -0.65 0.00 0.00 175.02 175.58 3adf s ARG 110 N 0.33 0.59 7.86 4.11 0.52 -0.27 -4.90 118.95 127.19 3adf s ARG 110 Ca -0.03 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 3adf s ARG 110 Cb -0.06 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.95 3adf s ARG 110 CO -0.01 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.27 3adf n GLY 111 N 5.12 3.61 1.69 -3.53 0.00 -1.26 -1.72 105.19 109.09 3adf n GLY 111 Ca -0.08 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3adf n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3adf n ASP 112 N 6.76 5.05 -4.44 1.61 5.75 -1.26 -4.94 116.55 125.08 3adf n ASP 112 Ca 0.00 -2.75 -0.32 0.00 -0.01 0.00 0.00 54.79 51.71 3adf n ASP 112 Cb 0.00 -0.65 -0.14 0.00 -1.03 0.00 0.00 41.12 39.31 3adf n ASP 112 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3adf s PHE 114 N -0.76 3.51 -0.04 0.00 0.08 0.19 -1.11 117.98 119.85 3adf s PHE 114 Ca 0.12 0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.62 3adf s PHE 114 Cb -0.10 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3adf s PHE 114 CO 0.01 0.54 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.53 3adf s PHE 115 N -1.52 0.99 -0.04 0.36 0.08 0.63 -0.29 117.98 118.19 3adf s PHE 115 Ca 0.35 -0.29 0.07 0.00 0.12 0.00 0.00 56.93 57.18 3adf s PHE 115 Cb -0.13 -0.75 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 3adf s PHE 115 CO 0.24 -0.16 -0.24 0.71 -0.10 0.00 0.00 175.22 175.67 3adf s TYR 116 N 0.49 2.25 -0.26 0.36 2.02 -0.07 -0.58 117.35 121.57 3adf s TYR 116 Ca -0.08 -0.57 -0.03 0.00 -0.37 0.00 0.00 57.07 56.02 3adf s TYR 116 Cb -0.12 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3adf s TYR 116 CO 0.01 -0.14 -0.02 0.34 -1.57 0.00 0.00 175.55 174.17 3adf s ASP 117 N -0.31 4.52 -0.06 2.29 2.15 -0.47 -1.87 116.67 122.92 3adf s ASP 117 Ca 0.02 -0.74 0.03 0.00 0.43 0.00 0.00 52.55 52.29 3adf s ASP 117 Cb -0.12 -1.73 0.01 0.00 -0.30 0.00 0.00 42.92 40.78 3adf s ASP 117 CO 0.02 -0.12 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.11 3adf s ILE 118 N 1.40 1.30 -0.05 4.11 1.01 -0.47 -0.77 121.20 127.73 3adf s ILE 118 Ca 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.13 3adf s ILE 118 Cb -0.16 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3adf s ILE 118 CO -0.03 0.39 -0.23 -0.60 0.00 0.00 0.00 174.94 174.48 3adf s ARG 119 N 0.42 2.42 -0.02 2.79 6.06 -0.30 -0.83 118.95 129.48 3adf s ARG 119 Ca -0.11 -0.86 0.00 0.00 -2.50 0.00 0.00 55.73 52.26 3adf s ARG 119 Cb -0.14 -2.18 0.03 0.00 0.06 0.00 0.00 34.95 32.71 3adf s ARG 119 CO 0.04 0.49 0.02 0.12 -2.50 0.00 0.00 175.30 173.46 3adf s PHE 120 N -0.41 0.11 -0.01 5.12 5.36 -0.83 -1.09 117.98 126.23 3adf s PHE 120 Ca 0.04 0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 3adf s PHE 120 Cb -0.12 -0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.31 3adf s PHE 120 CO 0.01 -0.09 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.13 3adf s ASP 121 N 0.92 0.70 -0.04 6.13 1.01 -0.37 -1.58 116.67 123.45 3adf s ASP 121 Ca -0.08 -0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.13 3adf s ASP 121 Cb -0.12 -0.16 -0.01 0.00 1.01 0.00 0.00 42.92 43.64 3adf s ASP 121 CO -0.02 0.03 -0.21 -0.83 0.21 0.00 0.00 175.17 174.35 3adf s GLY 122 N 0.17 1.07 0.10 0.21 0.00 0.29 -0.85 107.32 108.31 3adf s GLY 122 Ca -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.86 3adf s GLY 122 CO -0.00 -0.58 -0.08 -0.51 0.00 0.00 0.00 173.10 171.94 3adf s THR 123 N -0.20 0.76 -1.43 0.90 -4.23 -0.15 -0.79 115.64 110.50 3adf s THR 123 Ca 0.00 -1.82 -0.08 0.00 -1.18 0.00 0.00 61.69 58.61 3adf s THR 123 Cb -0.11 -1.55 0.04 0.00 1.34 0.00 0.00 72.50 72.22 3adf s THR 123 CO 0.02 -0.77 0.61 0.59 -0.54 0.00 0.00 174.62 174.52 3adf n ASN 124 N 0.17 -4.96 -4.66 3.99 3.02 -1.26 -1.61 115.26 109.95 3adf n ASN 124 Ca -0.13 -0.38 -0.43 0.00 -0.03 0.00 0.00 54.58 53.61 3adf n ASN 124 Cb 0.60 -4.03 -0.02 0.00 -0.61 0.00 0.00 39.78 35.71 3adf n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3adf s PHE 125 N -3.08 3.35 0.09 3.10 0.08 -1.26 -3.55 117.98 116.71 3adf s PHE 125 Ca 0.39 1.48 -0.32 0.00 0.12 0.00 0.00 56.93 58.59 3adf s PHE 125 Cb -0.19 -3.26 -0.11 0.00 -0.57 0.00 0.00 43.02 38.88 3adf s PHE 125 CO 0.48 -0.47 1.80 -2.30 -0.10 0.00 0.00 175.22 174.63 3adf n PRO 126 N 6.16 2.57 -0.23 0.24 -0.02 -1.26 -4.84 135.00 137.62 3adf n PRO 126 Ca 0.12 0.93 0.19 0.00 -2.02 0.00 0.00 63.50 62.72 3adf n PRO 126 Cb 0.46 -2.80 0.35 0.00 -0.02 0.00 0.00 33.50 31.50 3adf n PRO 126 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3adf n PRO 127 N 5.44 -0.05 -0.17 0.52 -0.02 -1.26 0.76 135.00 140.22 3adf n PRO 127 Ca 0.19 0.98 0.07 0.00 -2.02 0.00 0.00 63.50 62.72 3adf n PRO 127 Cb 0.34 -1.70 0.16 0.00 -0.02 0.00 0.00 33.50 32.28 3adf n PRO 127 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3adf n ASN 128 N -4.67 2.96 -4.70 2.55 3.02 -1.26 -4.54 115.26 108.62 3adf n ASN 128 Ca 0.24 -1.90 -0.29 0.00 -0.03 0.00 0.00 54.58 52.59 3adf n ASN 128 Cb 0.80 -0.23 0.16 0.00 -0.61 0.00 0.00 39.78 39.90 3adf n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3adf s GLY 129 N -1.05 1.57 0.39 7.41 0.00 0.23 -4.76 107.32 111.12 3adf s GLY 129 Ca 0.27 -0.36 0.28 0.00 0.00 0.00 0.00 44.72 44.90 3adf s GLY 129 CO 0.20 0.23 1.83 -0.56 0.00 0.00 0.00 173.10 174.80 3adf h PRO 130 N -1.77 0.00 0.00 2.90 0.13 -1.93 -1.69 132.00 129.64 3adf h PRO 130 Ca -0.53 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 3adf h PRO 130 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 3adf h PRO 130 CO 0.58 0.00 -0.23 0.28 -0.23 0.00 0.00 178.00 178.40 3adf h VAL 131 N 0.00 1.40 0.00 1.56 2.07 -1.91 -0.70 116.25 118.67 3adf h VAL 131 Ca 0.00 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 3adf h VAL 131 Cb 0.20 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3adf h VAL 131 CO 0.00 0.48 -0.08 0.24 0.02 0.00 0.00 177.57 178.23 3adf h MET 132 N -1.00 0.00 -0.55 1.57 2.86 -1.75 0.38 114.93 116.44 3adf h MET 132 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3adf h MET 132 Cb 0.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.59 3adf h MET 132 CO -0.04 0.08 0.00 1.04 1.06 0.00 0.00 176.91 179.05 3adf n GLN 133 N -3.17 4.44 -3.84 1.72 1.13 -0.65 -4.62 117.38 112.38 3adf n GLN 133 Ca 0.01 -3.07 -0.32 0.00 -1.94 0.00 0.00 57.00 51.69 3adf n GLN 133 Cb 0.40 -2.14 0.01 0.00 0.11 0.00 0.00 30.24 28.62 3adf n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3adf n LYS 134 N 0.58 -0.87 -0.26 -1.09 5.02 -1.00 -4.88 118.16 115.67 3adf n LYS 134 Ca 0.27 0.34 0.09 0.00 -2.02 0.00 0.00 58.31 56.98 3adf n LYS 134 Cb 1.10 -1.99 0.18 0.00 -0.02 0.00 0.00 35.03 34.30 3adf n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3adf n LYS 135 N -3.44 1.82 -3.89 1.97 5.02 -0.28 -4.99 118.16 114.38 3adf n LYS 135 Ca -0.20 -2.75 -0.27 0.00 -2.02 0.00 0.00 58.31 53.07 3adf n LYS 135 Cb 0.56 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 3adf n LYS 135 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3adf s THR 136 N -2.91 5.31 -0.07 -0.18 -4.23 -1.26 -1.36 115.64 110.95 3adf s THR 136 Ca 0.36 -0.55 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 3adf s THR 136 Cb 0.31 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 3adf s THR 136 CO 0.04 -0.06 -0.14 0.18 -0.54 0.00 0.00 174.62 174.10 3adf n LEU 137 N -0.39 1.04 -3.65 4.79 4.77 0.60 -4.81 117.00 119.35 3adf n LEU 137 Ca -0.06 0.17 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 3adf n LEU 137 Cb 0.53 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3adf n LEU 137 CO 0.49 -0.09 0.56 -1.59 -1.33 0.00 0.00 177.39 175.43 3adf s LYS 138 N -2.26 1.32 -0.00 3.23 -2.85 -1.24 -4.97 119.74 112.96 3adf s LYS 138 Ca -0.14 -0.64 -0.27 0.00 -1.00 0.00 0.00 55.97 53.92 3adf s LYS 138 Cb 0.04 0.51 -0.04 0.00 -2.06 0.00 0.00 37.83 36.28 3adf s LYS 138 CO 0.18 -0.60 0.84 -1.58 0.10 0.00 0.00 175.35 174.30 3adf s TRP 139 N -3.56 3.66 0.36 1.78 0.52 -1.26 -0.63 118.94 119.82 3adf s TRP 139 Ca 0.08 1.52 -0.27 0.00 0.02 0.00 0.00 56.10 57.45 3adf s TRP 139 Cb -0.03 -2.95 -0.09 0.00 -1.15 0.00 0.00 33.47 29.25 3adf s TRP 139 CO -0.02 0.10 1.19 -1.21 0.02 0.00 0.00 176.95 177.02 3adf s GLU 140 N 0.64 4.22 0.28 4.98 0.41 -0.46 -4.71 118.70 124.06 3adf s GLU 140 Ca 0.44 1.91 -0.26 0.00 -0.41 0.00 0.00 54.97 56.65 3adf s GLU 140 Cb -0.20 -2.85 -0.16 0.00 -1.78 0.00 0.00 34.13 29.14 3adf s GLU 140 CO 0.24 -0.20 0.45 -2.30 -0.49 0.00 0.00 175.26 172.96 3adf n PRO 141 N 0.42 0.14 -4.23 0.39 -0.01 -1.26 -4.72 135.00 125.73 3adf n PRO 141 Ca 0.02 0.05 -0.13 0.00 -0.01 0.00 0.00 63.50 63.44 3adf n PRO 141 Cb 0.45 -1.10 -0.10 0.00 -0.01 0.00 0.00 33.50 32.74 3adf n PRO 141 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 175.50 173.95 3adf s SER 142 N -0.96 1.16 -0.24 2.55 1.04 -0.91 -4.98 113.70 111.35 3adf s SER 142 Ca 0.62 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.92 3adf s SER 142 Cb -0.81 0.12 0.05 0.00 0.10 0.00 0.00 66.02 65.48 3adf s SER 142 CO 0.58 -0.57 -0.12 -0.89 0.98 0.00 0.00 173.24 173.22 3adf s THR 143 N -3.67 2.11 -0.05 2.02 2.01 -1.26 -1.45 115.64 115.35 3adf s THR 143 Ca 0.23 -1.48 -0.20 0.00 0.31 0.00 0.00 61.69 60.54 3adf s THR 143 Cb 0.06 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 3adf s THR 143 CO 0.03 0.07 0.58 -0.70 -0.69 0.00 0.00 174.62 173.91 3adf s GLU 144 N 1.15 4.34 -0.41 4.92 2.12 0.41 -4.75 118.70 126.48 3adf s GLU 144 Ca -0.06 0.68 -0.12 0.00 0.36 0.00 0.00 54.97 55.83 3adf s GLU 144 Cb -0.19 -3.39 0.05 0.00 0.26 0.00 0.00 34.13 30.87 3adf s GLU 144 CO -0.07 0.25 0.27 0.21 -0.54 0.00 0.00 175.26 175.39 3adf s LYS 145 N 0.23 2.79 -0.05 4.30 2.20 -0.56 0.08 119.74 128.73 3adf s LYS 145 Ca 0.31 -1.25 -0.17 0.00 -0.36 0.00 0.00 55.97 54.50 3adf s LYS 145 Cb -0.17 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 3adf s LYS 145 CO 0.15 -0.85 0.47 -1.64 -0.36 0.00 0.00 175.35 173.12 3adf s MET 146 N 1.54 4.19 0.09 4.03 -1.94 0.46 -1.76 119.30 125.91 3adf s MET 146 Ca 0.03 0.48 -0.26 0.00 -1.71 0.00 0.00 55.69 54.23 3adf s MET 146 Cb -0.21 -3.34 0.08 0.00 2.01 0.00 0.00 34.83 33.37 3adf s MET 146 CO 0.06 0.40 0.79 1.52 -0.01 0.00 0.00 175.02 177.78 3adf s TYR 147 N -0.17 -0.37 -0.26 -0.03 -0.85 -0.74 -1.43 117.35 113.50 3adf s TYR 147 Ca 0.26 0.17 -0.06 0.00 -0.52 0.00 0.00 57.07 56.91 3adf s TYR 147 Cb -0.16 0.57 -0.01 0.00 0.38 0.00 0.00 41.96 42.74 3adf s TYR 147 CO 0.12 -0.73 0.04 0.08 -1.52 0.00 0.00 175.55 173.55 3adf s VAL 148 N -3.40 3.87 -0.08 -3.49 1.01 -1.26 -0.78 120.40 116.26 3adf s VAL 148 Ca 0.05 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3adf s VAL 148 Cb -0.01 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 3adf s VAL 148 CO -0.08 0.25 -0.21 -0.70 0.00 0.00 0.00 175.10 174.36 3adf s GLU 149 N 1.52 2.86 -1.52 2.72 2.12 0.09 -4.73 118.70 121.75 3adf s GLU 149 Ca 0.04 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.46 3adf s GLU 149 Cb -0.16 -2.32 0.07 0.00 0.26 0.00 0.00 34.13 31.98 3adf s GLU 149 CO 0.01 0.32 0.67 -0.25 -0.54 0.00 0.00 175.26 175.46 3adf n ASP 150 N 3.16 -2.20 -0.21 -1.70 9.92 -1.26 0.39 116.55 124.65 3adf n ASP 150 Ca -0.18 -0.95 -0.03 0.00 -0.53 0.00 0.00 54.79 53.10 3adf n ASP 150 Cb 0.52 -3.18 -0.01 0.00 -0.64 0.00 0.00 41.12 37.81 3adf n ASP 150 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3adf n GLY 151 N -1.71 0.43 3.30 0.44 0.00 -1.26 -4.99 105.19 101.40 3adf n GLY 151 Ca -0.12 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3adf n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3adf s VAL 152 N -1.58 2.75 -0.17 1.61 1.01 0.16 -5.09 120.40 119.10 3adf s VAL 152 Ca 0.00 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 3adf s VAL 152 Cb 0.00 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 3adf s VAL 152 CO 0.00 0.52 1.09 -0.22 0.00 0.00 0.00 175.10 176.49 3adf s LEU 153 N 0.63 4.17 0.22 3.92 2.96 -1.25 -0.73 118.68 128.61 3adf s LEU 153 Ca -0.08 1.52 0.12 0.00 -0.22 0.00 0.00 54.13 55.46 3adf s LEU 153 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3adf s LEU 153 CO 0.03 -0.62 -0.23 -0.54 -1.32 0.00 0.00 176.35 173.67 3adf s LYS 154 N 2.87 1.58 -0.04 1.98 1.02 0.04 -0.08 119.74 127.10 3adf s LYS 154 Ca 0.48 -1.60 -0.00 0.00 0.02 0.00 0.00 55.97 54.87 3adf s LYS 154 Cb -0.18 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.33 3adf s LYS 154 CO 0.12 0.38 0.01 0.20 -0.92 0.00 0.00 175.35 175.14 3adf s GLY 155 N -2.94 0.27 0.01 -3.33 0.00 -0.04 -1.79 107.32 99.49 3adf s GLY 155 Ca 0.24 0.13 0.05 0.00 0.00 0.00 0.00 44.72 45.14 3adf s GLY 155 CO 0.12 0.83 -0.13 0.99 0.00 0.00 0.00 173.10 174.91 3adf s ASP 156 N 1.38 4.14 -0.27 1.64 1.01 -0.72 -0.59 116.67 123.26 3adf s ASP 156 Ca -0.05 -0.29 -0.22 0.00 0.71 0.00 0.00 52.55 52.71 3adf s ASP 156 Cb -0.13 -0.82 0.07 0.00 1.01 0.00 0.00 42.92 43.05 3adf s ASP 156 CO -0.03 0.28 0.70 0.54 0.21 0.00 0.00 175.17 176.87 3adf s VAL 157 N -0.92 -0.00 -0.20 -1.27 0.11 -0.91 -1.50 120.40 115.72 3adf s VAL 157 Ca 0.15 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.06 3adf s VAL 157 Cb -0.11 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 3adf s VAL 157 CO 0.05 0.00 0.33 0.20 -3.33 0.00 0.00 175.10 172.35 3adf s ASN 158 N 0.83 6.38 0.29 3.54 0.01 -1.26 -0.49 114.94 124.24 3adf s ASN 158 Ca -0.04 0.45 0.11 0.00 -0.71 0.00 0.00 52.86 52.68 3adf s ASN 158 Cb -0.05 -2.20 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3adf s ASN 158 CO -0.06 -0.00 -0.17 -0.04 -1.51 0.00 0.00 177.10 175.31 3adf s MET 159 N 1.03 1.72 -0.19 -0.60 -1.94 0.20 -4.83 119.30 114.70 3adf s MET 159 Ca 0.16 -1.80 -0.05 0.00 -1.71 0.00 0.00 55.69 52.30 3adf s MET 159 Cb -0.14 -1.76 0.08 0.00 2.01 0.00 0.00 34.83 35.01 3adf s MET 159 CO 0.06 0.29 0.15 1.03 -0.01 0.00 0.00 175.02 176.54 3adf s ARG 160 N -3.53 0.12 -0.31 2.03 0.52 -1.26 -0.63 118.95 115.88 3adf s ARG 160 Ca 0.31 0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 55.28 3adf s ARG 160 Cb -0.03 -1.53 0.01 0.00 0.52 0.00 0.00 34.95 33.91 3adf s ARG 160 CO 0.15 -0.66 1.20 -0.51 0.02 0.00 0.00 175.30 175.50 3adf s LEU 161 N 2.23 3.90 0.12 2.53 1.43 -0.94 -1.36 118.68 126.59 3adf s LEU 161 Ca 0.04 1.12 -0.34 0.00 -1.03 0.00 0.00 54.13 53.92 3adf s LEU 161 Cb -0.16 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.39 3adf s LEU 161 CO -0.10 -1.00 1.64 -0.11 0.23 0.00 0.00 176.35 177.00 3adf n LEU 162 N 7.31 3.21 -4.91 1.79 7.94 0.20 -2.38 117.00 130.16 3adf n LEU 162 Ca 0.13 1.06 -0.30 0.00 -1.11 0.00 0.00 56.01 55.80 3adf n LEU 162 Cb 0.47 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 42.95 3adf n LEU 162 CO 0.62 -0.22 -0.16 -0.76 -1.11 0.00 0.00 177.39 175.76 3adf s LEU 163 N 1.46 4.28 -0.31 -1.96 2.01 -1.00 -0.29 118.68 122.87 3adf s LEU 163 Ca 0.81 0.22 -0.40 0.00 0.01 0.00 0.00 54.13 54.77 3adf s LEU 163 Cb -0.67 -2.89 -0.15 0.00 0.01 0.00 0.00 46.19 42.49 3adf s LEU 163 CO 0.40 0.15 1.87 -0.62 1.01 0.00 0.00 176.35 179.15 3adf n GLU 164 N 0.16 1.04 0.00 1.70 1.02 -0.46 -1.92 120.64 122.19 3adf n GLU 164 Ca -0.06 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 3adf n GLU 164 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3adf n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3adf n GLY 165 N 4.93 1.16 2.32 0.62 0.00 -1.26 -4.97 105.19 107.99 3adf n GLY 165 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3adf n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adf n GLY 166 N -0.30 -2.35 0.69 -0.02 0.00 -0.81 -5.09 105.19 97.30 3adf n GLY 166 Ca 0.00 -1.57 0.08 0.00 0.00 0.00 0.00 46.02 44.53 3adf n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3adf n GLY 167 N -0.55 -2.85 3.12 -0.02 0.00 -1.26 -4.39 105.19 99.25 3adf n GLY 167 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 3adf n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3adf s HIS 168 N -3.41 0.87 -0.34 1.61 0.09 -1.26 -2.37 115.29 110.47 3adf s HIS 168 Ca 0.00 -0.63 -0.01 0.00 -0.00 0.00 0.00 55.06 54.42 3adf s HIS 168 Cb 0.00 -0.50 0.08 0.00 -0.00 0.00 0.00 32.58 32.16 3adf s HIS 168 CO 0.00 -0.07 0.07 -0.47 -0.00 0.00 0.00 174.74 174.28 3adf s TYR 169 N -2.14 3.46 0.31 1.40 5.04 -1.00 -4.97 117.35 119.44 3adf s TYR 169 Ca -0.01 -2.26 -0.27 0.00 -2.44 0.00 0.00 57.07 52.09 3adf s TYR 169 Cb -0.05 -2.61 -0.09 0.00 0.35 0.00 0.00 41.96 39.56 3adf s TYR 169 CO -0.01 -0.89 0.99 1.03 -1.34 0.00 0.00 175.55 175.33 3adf s ARG 170 N 1.15 4.60 -0.01 4.97 0.52 -1.26 -2.22 118.95 126.70 3adf s ARG 170 Ca 0.02 1.48 0.01 0.00 -0.52 0.00 0.00 55.73 56.72 3adf s ARG 170 Cb -0.21 -2.95 0.00 0.00 0.52 0.00 0.00 34.95 32.31 3adf s ARG 170 CO -0.03 0.27 -0.05 0.00 0.02 0.00 0.00 175.30 175.50 3adf s ASP 172 N 0.19 6.15 -0.20 0.00 1.11 -0.49 0.60 116.67 124.04 3adf s ASP 172 Ca -0.02 -0.84 -0.16 0.00 0.18 0.00 0.00 52.55 51.70 3adf s ASP 172 Cb -0.06 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 3adf s ASP 172 CO -0.00 -0.53 0.42 -0.36 1.18 0.00 0.00 175.17 175.88 3adf s PHE 173 N 1.90 3.38 -0.21 4.23 0.40 0.35 -2.31 117.98 125.72 3adf s PHE 173 Ca 0.08 0.66 0.02 0.00 -0.60 0.00 0.00 56.93 57.09 3adf s PHE 173 Cb -0.19 -2.55 0.04 0.00 0.51 0.00 0.00 43.02 40.83 3adf s PHE 173 CO 0.11 -0.01 -0.14 0.15 0.70 0.00 0.00 175.22 176.03 3adf s LYS 174 N 1.32 2.42 0.04 0.44 -0.14 -0.73 -2.13 119.74 120.97 3adf s LYS 174 Ca 0.20 -1.00 0.09 0.00 -1.36 0.00 0.00 55.97 53.90 3adf s LYS 174 Cb -0.15 -2.62 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 3adf s LYS 174 CO 0.08 -0.40 -0.26 0.99 -0.76 0.00 0.00 175.35 175.01 3adf s THR 175 N 1.26 2.19 -0.15 2.17 2.01 0.24 -1.75 115.64 121.62 3adf s THR 175 Ca -0.02 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.62 3adf s THR 175 Cb -0.16 -1.85 0.01 0.00 0.01 0.00 0.00 72.50 70.50 3adf s THR 175 CO -0.09 0.37 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.13 3adf s THR 176 N -0.81 2.30 -0.17 -0.82 2.01 0.71 -0.86 115.64 117.99 3adf s THR 176 Ca 0.12 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 3adf s THR 176 Cb -0.10 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.46 3adf s THR 176 CO 0.02 0.53 -0.11 -0.31 -0.69 0.00 0.00 174.62 174.06 3adf s TYR 177 N 0.85 2.85 -0.06 4.92 2.02 0.88 -1.20 117.35 127.62 3adf s TYR 177 Ca -0.06 -0.94 -0.01 0.00 -0.37 0.00 0.00 57.07 55.69 3adf s TYR 177 Cb -0.15 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3adf s TYR 177 CO -0.02 -0.45 0.01 0.15 -1.57 0.00 0.00 175.55 173.67 3adf s LYS 178 N 0.94 0.49 0.63 -0.62 1.02 -0.36 -3.80 119.74 118.03 3adf s LYS 178 Ca -0.02 0.13 -0.16 0.00 0.02 0.00 0.00 55.97 55.94 3adf s LYS 178 Cb -0.15 -0.84 -0.01 0.00 -0.52 0.00 0.00 37.83 36.31 3adf s LYS 178 CO -0.01 -0.27 1.12 0.00 -0.92 0.00 0.00 175.35 175.27 3adf s ALA 179 N 1.81 2.52 0.06 5.17 0.00 -1.26 -1.35 121.76 128.71 3adf s ALA 179 Ca 0.02 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.42 3adf s ALA 179 Cb -0.13 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3adf s ALA 179 CO -0.04 -1.16 1.40 0.87 0.00 0.00 0.00 175.76 176.83 3adf h LYS 180 N 0.32 0.47 -5.76 0.00 1.79 -1.70 -3.44 116.57 108.24 3adf h LYS 180 Ca -0.48 -0.22 -0.66 0.00 -2.18 0.00 0.00 60.65 57.11 3adf h LYS 180 Cb 1.25 -0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.72 3adf h LYS 180 CO 0.55 0.78 -0.65 0.15 -1.08 0.00 0.00 179.45 179.19 3adf s LYS 181 N -4.46 3.20 0.06 3.15 -0.14 -1.26 -5.06 119.74 115.21 3adf s LYS 181 Ca -0.14 -0.48 -0.35 0.00 -1.36 0.00 0.00 55.97 53.65 3adf s LYS 181 Cb 0.07 -2.80 -0.18 0.00 -1.68 0.00 0.00 37.83 33.24 3adf s LYS 181 CO 0.77 0.52 0.86 -1.91 -0.76 0.00 0.00 175.35 174.83 3adf n GLU 182 N 2.69 0.00 -3.71 1.68 4.07 -1.26 -4.97 120.64 119.15 3adf n GLU 182 Ca -0.18 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.78 3adf n GLU 182 Cb 0.53 -1.28 -0.08 0.00 -0.06 0.00 0.00 31.44 30.55 3adf n GLU 182 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3adf s VAL 183 N -0.28 0.05 0.15 6.31 -7.23 -1.26 -5.12 120.40 113.02 3adf s VAL 183 Ca 0.79 -0.43 -0.31 0.00 -1.81 0.00 0.00 61.98 60.21 3adf s VAL 183 Cb -1.11 -0.77 -0.11 0.00 0.56 0.00 0.00 36.38 34.95 3adf s VAL 183 CO 0.54 -0.24 1.77 -0.60 -0.31 0.00 0.00 175.10 176.26 3adf s ARG 184 N -1.67 4.14 0.43 4.82 3.52 -1.26 -4.97 118.95 123.96 3adf s ARG 184 Ca -0.11 2.56 -0.24 0.00 -0.13 0.00 0.00 55.73 57.82 3adf s ARG 184 Cb -0.03 -3.41 -0.08 0.00 -1.56 0.00 0.00 34.95 29.87 3adf s ARG 184 CO 0.03 -0.79 1.17 -0.51 -0.81 0.00 0.00 175.30 174.39 3adf s LEU 185 N 2.17 4.11 0.67 -0.88 1.43 -1.26 -4.80 118.68 120.12 3adf s LEU 185 Ca 0.78 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 3adf s LEU 185 Cb -0.46 -4.12 0.10 0.00 0.03 0.00 0.00 46.19 41.74 3adf s LEU 185 CO 0.34 -0.80 0.93 -2.16 0.23 0.00 0.00 176.35 174.89 3adf s PRO 186 N -2.49 1.93 0.52 1.29 0.04 -1.26 -5.09 135.00 129.94 3adf s PRO 186 Ca 0.60 -1.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.46 3adf s PRO 186 Cb -0.30 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.80 3adf s PRO 186 CO 0.37 -1.24 0.92 -0.51 0.04 0.00 0.00 177.00 176.58 3adf s ASP 187 N -4.66 6.42 -0.29 6.66 1.11 -1.26 -4.76 116.67 119.90 3adf s ASP 187 Ca 0.64 1.33 -0.38 0.00 0.18 0.00 0.00 52.55 54.31 3adf s ASP 187 Cb -0.07 -2.41 -0.14 0.00 1.07 0.00 0.00 42.92 41.37 3adf s ASP 187 CO 0.43 -0.63 1.90 0.00 1.18 0.00 0.00 175.17 178.04 3adf n ALA 188 N -1.98 0.28 -4.31 5.23 0.00 -1.26 -4.84 120.51 113.63 3adf n ALA 188 Ca 0.05 0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.49 3adf n ALA 188 Cb 0.54 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 3adf n ALA 188 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3adf n HIS 189 N 6.79 -0.73 -4.38 0.00 1.44 -0.51 -5.00 115.22 112.83 3adf n HIS 189 Ca 0.31 -2.86 -0.25 0.00 -2.01 0.00 0.00 57.72 52.92 3adf n HIS 189 Cb 0.16 0.27 -0.09 0.00 0.12 0.00 0.00 29.99 30.45 3adf n HIS 189 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3adf s LYS 190 N -3.41 1.91 -0.04 -1.40 1.02 -1.26 -0.40 119.74 116.17 3adf s LYS 190 Ca 0.39 -1.53 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 3adf s LYS 190 Cb 0.02 -1.97 0.03 0.00 -0.52 0.00 0.00 37.83 35.39 3adf s LYS 190 CO 0.28 0.37 0.03 0.42 -0.92 0.00 0.00 175.35 175.52 3adf s ILE 191 N -2.18 0.09 -0.04 2.17 1.01 0.11 0.16 121.20 122.51 3adf s ILE 191 Ca 0.28 0.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.01 3adf s ILE 191 Cb -0.07 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 3adf s ILE 191 CO 0.16 0.18 0.47 -1.81 0.00 0.00 0.00 174.94 173.94 3adf s ASP 192 N 1.72 6.79 -0.03 3.58 1.01 -0.01 0.15 116.67 129.88 3adf s ASP 192 Ca -0.00 0.94 0.05 0.00 0.71 0.00 0.00 52.55 54.25 3adf s ASP 192 Cb -0.13 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 3adf s ASP 192 CO -0.03 0.16 -0.19 -1.00 0.21 0.00 0.00 175.17 174.33 3adf s HIS 193 N -0.28 1.77 -0.05 4.23 3.76 -0.53 -1.06 115.29 123.13 3adf s HIS 193 Ca 0.26 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3adf s HIS 193 Cb -0.16 -1.16 0.01 0.00 1.11 0.00 0.00 32.58 32.38 3adf s HIS 193 CO 0.13 -0.10 -0.09 1.03 -0.85 0.00 0.00 174.74 174.86 3adf s ARG 194 N -0.23 1.25 0.01 1.40 0.52 0.25 -2.15 118.95 120.01 3adf s ARG 194 Ca 0.02 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 3adf s ARG 194 Cb -0.10 -1.10 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 3adf s ARG 194 CO 0.01 0.01 -0.09 -1.50 0.02 0.00 0.00 175.30 173.74 3adf s ILE 195 N 0.66 0.71 -0.23 1.52 2.07 -1.26 -0.80 121.20 123.87 3adf s ILE 195 Ca -0.12 -0.62 -0.12 0.00 -1.41 0.00 0.00 60.65 58.39 3adf s ILE 195 Cb -0.14 -0.64 0.07 0.00 0.13 0.00 0.00 42.46 41.88 3adf s ILE 195 CO 0.02 0.04 0.55 -0.70 -1.91 0.00 0.00 174.94 172.93 3adf s GLU 196 N -0.65 0.54 -0.32 3.50 2.12 -0.38 -4.55 118.70 118.96 3adf s GLU 196 Ca 0.00 1.02 -0.29 0.00 0.36 0.00 0.00 54.97 56.06 3adf s GLU 196 Cb -0.05 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.42 3adf s GLU 196 CO 0.00 -0.16 1.34 0.42 -0.54 0.00 0.00 175.26 176.32 3adf s ILE 197 N 1.59 4.06 -0.15 -3.70 1.01 -1.26 -1.23 121.20 121.51 3adf s ILE 197 Ca -0.09 1.18 0.18 0.00 0.00 0.00 0.00 60.65 61.91 3adf s ILE 197 Cb -0.07 -4.14 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 3adf s ILE 197 CO -0.16 -0.53 0.97 -0.07 0.00 0.00 0.00 174.94 175.15 3adf h LEU 198 N 11.21 0.00 -7.00 2.97 3.38 -1.32 -3.48 115.31 121.06 3adf h LEU 198 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3adf h LEU 198 Cb 1.10 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.65 3adf h LEU 198 CO 1.04 0.45 0.32 -0.75 0.09 0.00 0.00 178.44 179.60 3adf s LYS 199 N -3.01 0.90 -0.26 1.13 2.20 -1.20 -4.97 119.74 114.53 3adf s LYS 199 Ca -0.01 0.19 -0.26 0.00 -0.36 0.00 0.00 55.97 55.53 3adf s LYS 199 Cb 0.09 0.42 0.13 0.00 -1.51 0.00 0.00 37.83 36.96 3adf s LYS 199 CO 0.80 -0.29 1.09 -3.38 -0.36 0.00 0.00 175.35 173.21 3adf s HIS 200 N -1.26 -0.39 0.47 4.03 -3.43 -1.26 -0.55 115.29 112.91 3adf s HIS 200 Ca -0.07 0.89 -0.08 0.00 -0.80 0.00 0.00 55.06 55.00 3adf s HIS 200 Cb -0.00 0.40 0.11 0.00 -1.43 0.00 0.00 32.58 31.66 3adf s HIS 200 CO 0.06 -0.22 0.50 -0.40 -2.00 0.00 0.00 174.74 172.69 3adf n ASP 201 N 1.78 -0.82 -0.01 7.38 5.68 -0.87 -4.91 116.55 124.79 3adf n ASP 201 Ca -0.11 -0.96 -0.11 0.00 -0.50 0.00 0.00 54.79 53.10 3adf n ASP 201 Cb 0.56 -0.43 -0.06 0.00 -1.14 0.00 0.00 41.12 40.06 3adf n ASP 201 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3adf h LYS 202 N 0.00 0.13 -0.66 0.11 3.64 -2.02 -2.56 116.57 115.20 3adf h LYS 202 Ca -0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3adf h LYS 202 Cb 0.52 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3adf h LYS 202 CO 0.12 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 177.19 3adf n ASP 203 N -4.99 4.45 -0.75 4.20 8.00 -1.26 -4.94 116.55 121.26 3adf n ASP 203 Ca -0.05 -2.30 -0.10 0.00 0.71 0.00 0.00 54.79 53.05 3adf n ASP 203 Cb 0.06 -0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 3adf n ASP 203 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3adf n TYR 204 N 1.24 -0.02 0.27 1.24 4.01 -0.97 -4.34 117.16 118.59 3adf n TYR 204 Ca 0.25 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 58.09 3adf n TYR 204 Cb 0.79 -1.89 0.71 0.00 -0.31 0.00 0.00 39.34 38.65 3adf n TYR 204 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3adf h ASN 205 N 0.00 0.00 -3.29 7.72 -0.26 -1.92 -3.41 115.58 114.42 3adf h ASN 205 Ca -0.20 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 54.95 3adf h ASN 205 Cb 0.65 0.00 -0.34 0.00 -1.06 0.00 0.00 38.32 37.57 3adf h ASN 205 CO 0.29 0.03 -0.84 -0.54 -1.06 0.00 0.00 177.43 175.30 3adf s LYS 206 N -4.84 2.28 -0.07 0.81 1.02 -1.26 -1.06 119.74 116.62 3adf s LYS 206 Ca -0.05 -0.59 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 3adf s LYS 206 Cb 0.16 -1.90 0.04 0.00 -0.52 0.00 0.00 37.83 35.62 3adf s LYS 206 CO 0.63 -0.02 0.16 0.08 -0.92 0.00 0.00 175.35 175.28 3adf s VAL 207 N 0.86 -0.07 -0.19 3.17 1.01 -0.83 -2.05 120.40 122.30 3adf s VAL 207 Ca -0.09 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.00 3adf s VAL 207 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3adf s VAL 207 CO 0.00 0.08 0.09 -0.75 0.00 0.00 0.00 175.10 174.52 3adf s LYS 208 N 1.31 4.06 -0.05 2.72 2.20 0.28 -0.48 119.74 129.79 3adf s LYS 208 Ca -0.08 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 3adf s LYS 208 Cb -0.11 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 3adf s LYS 208 CO -0.06 0.28 -0.15 -1.17 -0.36 0.00 0.00 175.35 173.88 3adf s LEU 209 N 0.39 1.83 0.01 5.43 2.96 0.43 -0.77 118.68 128.96 3adf s LEU 209 Ca 0.05 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3adf s LEU 209 Cb -0.12 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 3adf s LEU 209 CO -0.01 0.11 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.50 3adf s TYR 210 N 0.25 1.46 0.01 5.38 5.04 -0.37 -0.62 117.35 128.50 3adf s TYR 210 Ca -0.07 -0.31 0.01 0.00 -2.44 0.00 0.00 57.07 54.26 3adf s TYR 210 Cb -0.12 -0.91 -0.01 0.00 0.35 0.00 0.00 41.96 41.27 3adf s TYR 210 CO 0.03 0.01 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.21 3adf s GLU 211 N -0.73 0.31 -0.10 4.97 2.12 -1.00 -1.25 118.70 123.02 3adf s GLU 211 Ca 0.05 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.10 3adf s GLU 211 Cb -0.07 -0.22 0.02 0.00 0.26 0.00 0.00 34.13 34.12 3adf s GLU 211 CO 0.00 0.05 -0.10 1.21 -0.54 0.00 0.00 175.26 175.88 3adf s ASN 212 N -0.50 2.09 -0.03 -1.70 3.84 0.02 -2.44 114.94 116.21 3adf s ASN 212 Ca -0.03 -0.32 -0.01 0.00 0.21 0.00 0.00 52.86 52.71 3adf s ASN 212 Cb -0.04 -0.88 0.02 0.00 -0.55 0.00 0.00 41.25 39.81 3adf s ASN 212 CO -0.00 -0.05 0.05 0.00 -2.79 0.00 0.00 177.10 174.31 3adf s ALA 213 N 1.28 -0.06 -0.03 1.71 0.00 0.40 -0.58 121.76 124.48 3adf s ALA 213 Ca -0.03 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3adf s ALA 213 Cb -0.14 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.80 3adf s ALA 213 CO -0.04 -0.08 -0.02 0.08 0.00 0.00 0.00 175.76 175.70 3adf s VAL 214 N 0.64 0.33 0.14 0.00 1.01 -0.23 -1.07 120.40 121.22 3adf s VAL 214 Ca -0.05 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 3adf s VAL 214 Cb -0.07 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.86 3adf s VAL 214 CO -0.02 0.17 0.56 0.00 0.00 0.00 0.00 175.10 175.81 3adf s ALA 215 N 0.82 3.57 -0.47 5.51 0.00 0.84 -0.83 121.76 131.19 3adf s ALA 215 Ca -0.09 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.82 3adf s ALA 215 Cb -0.12 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.47 3adf s ALA 215 CO -0.01 0.44 0.62 0.54 0.00 0.00 0.00 175.76 177.35