#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3adf s LYS 5 N 0.00 2.12 0.40 0.38 1.02 -1.26 -4.95 119.74 117.44 3adf s LYS 5 Ca 0.00 0.88 0.12 0.00 0.02 0.00 0.00 55.97 56.99 3adf s LYS 5 Cb 0.00 -1.90 0.82 0.00 -0.52 0.00 0.00 37.83 36.23 3adf s LYS 5 CO 0.00 -1.66 1.90 -1.35 -0.92 0.00 0.00 175.35 173.32 3adf h PRO 6 N -1.13 0.10 -5.72 -1.68 0.11 -2.00 -3.39 132.00 118.29 3adf h PRO 6 Ca -0.46 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 3adf h PRO 6 Cb 1.25 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 32.11 3adf h PRO 6 CO 0.56 0.33 -0.74 -2.00 -0.21 0.00 0.00 178.00 175.93 3adf s GLU 7 N -4.52 3.08 0.03 1.05 2.12 -1.26 -3.78 118.70 115.41 3adf s GLU 7 Ca -0.04 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 54.68 3adf s GLU 7 Cb 0.15 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.93 3adf s GLU 7 CO 0.72 0.40 -0.13 -1.64 -0.54 0.00 0.00 175.26 174.07 3adf s MET 8 N -0.13 0.89 0.45 4.30 -1.94 0.06 -4.98 119.30 117.94 3adf s MET 8 Ca -0.00 -0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 53.22 3adf s MET 8 Cb -0.13 -0.87 -0.04 0.00 2.01 0.00 0.00 34.83 35.79 3adf s MET 8 CO 0.03 0.22 0.76 0.15 -0.01 0.00 0.00 175.02 176.17 3adf s LYS 9 N -1.04 3.59 -0.03 2.03 1.02 0.11 -0.89 119.74 124.53 3adf s LYS 9 Ca 0.01 0.22 0.03 0.00 0.02 0.00 0.00 55.97 56.25 3adf s LYS 9 Cb -0.07 -2.41 -0.00 0.00 -0.52 0.00 0.00 37.83 34.83 3adf s LYS 9 CO 0.01 -0.13 -0.13 0.42 -0.92 0.00 0.00 175.35 174.60 3adf s ILE 10 N -2.60 1.11 -0.01 2.17 1.01 0.16 -0.44 121.20 122.59 3adf s ILE 10 Ca 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3adf s ILE 10 Cb -0.10 -0.96 0.02 0.00 0.01 0.00 0.00 42.46 41.42 3adf s ILE 10 CO 0.41 0.33 0.01 -0.75 0.00 0.00 0.00 174.94 174.94 3adf s LYS 11 N 0.11 0.06 0.09 2.79 2.20 -0.57 -0.88 119.74 123.53 3adf s LYS 11 Ca -0.03 0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.63 3adf s LYS 11 Cb -0.10 -0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 35.97 3adf s LYS 11 CO 0.01 -0.09 0.06 -0.48 -0.36 0.00 0.00 175.35 174.49 3adf s LEU 12 N 0.65 1.98 -0.07 5.43 0.05 -0.86 -1.52 118.68 124.35 3adf s LEU 12 Ca -0.06 -0.98 0.01 0.00 0.05 0.00 0.00 54.13 53.15 3adf s LEU 12 Cb -0.08 0.46 0.02 0.00 -2.05 0.00 0.00 46.19 44.54 3adf s LEU 12 CO -0.02 -0.68 -0.07 0.00 -0.55 0.00 0.00 176.35 175.03 3adf s MET 14 N 1.17 3.84 -0.12 0.00 0.00 0.19 -1.64 119.30 122.75 3adf s MET 14 Ca -0.06 -0.40 0.01 0.00 0.00 0.00 0.00 55.69 55.23 3adf s MET 14 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 34.83 31.42 3adf s MET 14 CO -0.02 0.08 -0.14 1.03 0.00 0.00 0.00 175.02 175.98 3adf s ARG 15 N 0.88 3.24 0.29 4.11 0.52 -0.31 -0.90 118.95 126.79 3adf s ARG 15 Ca 0.04 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 54.35 3adf s ARG 15 Cb -0.14 -2.58 0.03 0.00 0.52 0.00 0.00 34.95 32.79 3adf s ARG 15 CO 0.03 0.27 0.76 0.20 0.02 0.00 0.00 175.30 176.57 3adf s GLY 16 N 0.20 -0.00 -0.06 -3.53 0.00 -0.46 -1.66 107.32 101.82 3adf s GLY 16 Ca -0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.18 3adf s GLY 16 CO 0.05 -0.09 0.21 -1.59 0.00 0.00 0.00 173.10 171.68 3adf s THR 17 N -3.52 0.03 -0.11 0.90 2.01 -0.76 -0.73 115.64 113.46 3adf s THR 17 Ca 0.12 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 3adf s THR 17 Cb -0.05 -0.37 0.06 0.00 0.01 0.00 0.00 72.50 72.14 3adf s THR 17 CO 0.08 -0.12 0.18 -0.69 -0.69 0.00 0.00 174.62 173.38 3adf s VAL 18 N -0.40 -0.29 -1.61 3.82 1.01 -0.64 -0.83 120.40 121.47 3adf s VAL 18 Ca -0.05 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 3adf s VAL 18 Cb -0.03 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 36.08 3adf s VAL 18 CO 0.01 0.07 0.86 0.59 0.00 0.00 0.00 175.10 176.63 3adf n ASN 19 N 5.33 -3.79 0.00 3.32 4.13 -0.33 -1.66 115.26 122.25 3adf n ASN 19 Ca -0.05 -0.91 0.00 0.00 1.68 0.00 0.00 54.58 55.30 3adf n ASN 19 Cb 0.50 -3.28 0.00 0.00 -1.54 0.00 0.00 39.78 35.46 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 -1.55 2.26 3.63 7.41 0.00 -1.26 -5.01 105.19 110.67 3adf n GLY 20 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.49 3.27 0.51 1.61 5.04 -0.67 -5.03 115.29 117.54 3adf s HIS 21 Ca 0.00 0.95 -0.18 0.00 -1.54 0.00 0.00 55.06 54.29 3adf s HIS 21 Cb 0.00 -3.05 -0.07 0.00 0.04 0.00 0.00 32.58 29.50 3adf s HIS 21 CO 0.00 -0.43 1.01 -0.80 -2.34 0.00 0.00 174.74 172.18 3adf s ASN 22 N 1.46 6.39 -0.14 9.88 0.01 -1.26 -1.62 114.94 129.66 3adf s ASN 22 Ca 0.32 1.74 -0.29 0.00 -0.71 0.00 0.00 52.86 53.91 3adf s ASN 22 Cb -0.15 -2.53 0.10 0.00 0.41 0.00 0.00 41.25 39.08 3adf s ASN 22 CO 0.09 -0.74 0.86 0.72 -1.51 0.00 0.00 177.10 176.52 3adf s PHE 23 N -2.36 -0.52 -0.01 2.20 -0.12 0.09 -4.29 117.98 112.97 3adf s PHE 23 Ca 0.63 0.99 0.05 0.00 -0.05 0.00 0.00 56.93 58.54 3adf s PHE 23 Cb -0.13 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.66 3adf s PHE 23 CO 0.27 -0.43 -0.16 0.08 -0.05 0.00 0.00 175.22 174.93 3adf s VAL 24 N -0.85 1.29 -0.04 -2.49 1.01 -0.42 -1.35 120.40 117.56 3adf s VAL 24 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3adf s VAL 24 Cb -0.01 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.32 3adf s VAL 24 CO 0.04 0.37 0.00 -0.63 0.00 0.00 0.00 175.10 174.88 3adf s ILE 25 N -0.38 0.20 0.17 2.22 1.01 -0.08 -0.15 121.20 124.19 3adf s ILE 25 Ca 0.06 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.88 3adf s ILE 25 Cb -0.06 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 3adf s ILE 25 CO -0.01 0.17 0.04 -1.61 0.00 0.00 0.00 174.94 173.53 3adf s GLU 26 N 1.22 2.57 0.08 2.79 2.02 -0.51 0.56 118.70 127.43 3adf s GLU 26 Ca -0.07 -1.02 -0.09 0.00 0.02 0.00 0.00 54.97 53.82 3adf s GLU 26 Cb -0.13 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.64 3adf s GLU 26 CO -0.02 0.47 0.18 0.20 0.02 0.00 0.00 175.26 176.11 3adf s GLY 27 N -2.95 0.09 0.01 -1.39 0.00 -0.87 -0.12 107.32 102.08 3adf s GLY 27 Ca 0.28 -0.56 -0.08 0.00 0.00 0.00 0.00 44.72 44.36 3adf s GLY 27 CO 0.20 -0.74 0.15 -1.83 0.00 0.00 0.00 173.10 170.88 3adf s GLU 28 N -3.57 0.52 0.00 2.90 -1.05 -0.55 -2.03 118.70 114.92 3adf s GLU 28 Ca 0.03 -0.42 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 3adf s GLU 28 Cb 0.04 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 3adf s GLU 28 CO -0.09 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.40 3adf n GLY 29 N 1.35 1.17 3.18 -3.83 0.00 -0.06 -0.30 105.19 106.70 3adf n GLY 29 Ca -0.22 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 0.02 0.67 0.29 1.61 1.02 -0.50 0.36 119.74 123.20 3adf s LYS 30 Ca 0.00 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 3adf s LYS 30 Cb 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 3adf s LYS 30 CO 0.00 -0.19 0.70 0.20 -0.92 0.00 0.00 175.35 175.14 3adf s GLY 31 N -1.89 0.01 -0.49 -3.33 0.00 -0.07 -0.95 107.32 100.61 3adf s GLY 31 Ca -0.08 -0.40 0.02 0.00 0.00 0.00 0.00 44.72 44.26 3adf s GLY 31 CO -0.02 -0.16 0.24 -1.31 0.00 0.00 0.00 173.10 171.85 3adf s ASN 32 N -2.94 4.69 0.31 1.64 0.01 -0.11 -0.76 114.94 117.76 3adf s ASN 32 Ca 0.12 -2.71 0.05 0.00 -0.71 0.00 0.00 52.86 49.62 3adf s ASN 32 Cb -0.05 -1.70 0.68 0.00 0.41 0.00 0.00 41.25 40.58 3adf s ASN 32 CO 0.08 -0.32 1.83 -0.65 -1.51 0.00 0.00 177.10 176.52 3adf h PRO 33 N 6.99 0.83 0.00 -0.60 0.11 -1.79 -0.02 132.00 137.52 3adf h PRO 33 Ca -0.06 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3adf h PRO 33 Cb 0.95 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3adf h PRO 33 CO 0.66 0.55 -0.02 1.88 -0.21 0.00 0.00 178.00 180.85 3adf h TYR 34 N 0.85 0.00 0.00 0.65 0.05 -1.82 -3.05 116.97 113.66 3adf h TYR 34 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.29 3adf h TYR 34 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 3adf h TYR 34 CO -0.00 0.00 -0.86 0.39 -1.05 0.00 0.00 178.16 176.64 3adf n GLU 35 N -2.72 0.09 -1.53 4.88 -0.58 -0.29 -4.46 120.64 116.03 3adf n GLU 35 Ca 0.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 3adf n GLU 35 Cb 0.49 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.46 0.40 3.25 0.62 0.00 -0.18 -4.54 105.19 106.20 3adf n GLY 36 Ca 0.04 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.06 1.31 -0.20 2.61 -4.23 -1.13 -1.05 115.64 110.89 3adf s THR 37 Ca 0.00 -1.82 -0.28 0.00 -1.18 0.00 0.00 61.69 58.41 3adf s THR 37 Cb 0.00 -1.63 0.12 0.00 1.34 0.00 0.00 72.50 72.34 3adf s THR 37 CO 0.00 -0.51 0.99 0.00 -0.54 0.00 0.00 174.62 174.56 3adf s GLN 38 N -2.97 0.59 -0.04 3.99 -2.07 -1.11 -0.94 119.66 117.11 3adf s GLN 38 Ca 0.11 0.34 0.06 0.00 -1.82 0.00 0.00 55.36 54.05 3adf s GLN 38 Cb -0.03 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.16 3adf s GLN 38 CO 0.03 -0.14 -0.22 0.42 -1.32 0.00 0.00 175.29 174.05 3adf s ILE 39 N -0.58 1.81 -0.05 3.63 -1.09 -0.12 -2.62 121.20 122.18 3adf s ILE 39 Ca -0.00 -0.95 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 3adf s ILE 39 Cb -0.02 -1.53 -0.00 0.00 -1.58 0.00 0.00 42.46 39.33 3adf s ILE 39 CO -0.01 0.51 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.28 3adf s LEU 40 N -0.23 1.90 -0.24 2.97 1.43 -0.86 -1.40 118.68 122.25 3adf s LEU 40 Ca 0.00 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 3adf s LEU 40 Cb -0.12 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 3adf s LEU 40 CO 0.02 0.14 0.14 -1.81 0.23 0.00 0.00 176.35 175.07 3adf s ASP 41 N 0.12 5.92 -0.08 2.29 1.01 0.58 -1.64 116.67 124.88 3adf s ASP 41 Ca -0.06 0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.30 3adf s ASP 41 Cb -0.12 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 3adf s ASP 41 CO 0.03 0.06 -0.19 -0.76 0.21 0.00 0.00 175.17 174.52 3adf s LEU 42 N 1.09 2.41 -0.13 1.23 1.43 0.18 -1.48 118.68 123.42 3adf s LEU 42 Ca 0.07 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3adf s LEU 42 Cb -0.14 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3adf s LEU 42 CO 0.04 0.24 -0.09 0.20 0.23 0.00 0.00 176.35 176.97 3adf s ASN 43 N -0.10 2.37 0.00 2.29 0.01 0.82 -1.32 114.94 119.01 3adf s ASN 43 Ca -0.04 -0.38 -0.30 0.00 -0.71 0.00 0.00 52.86 51.43 3adf s ASN 43 Cb -0.14 -0.94 -0.06 0.00 0.41 0.00 0.00 41.25 40.52 3adf s ASN 43 CO 0.04 -0.10 1.42 -0.69 -1.51 0.00 0.00 177.10 176.26 3adf s VAL 44 N 1.64 3.67 -0.59 1.60 1.01 -0.21 -1.42 120.40 126.10 3adf s VAL 44 Ca 0.05 1.05 0.07 0.00 0.00 0.00 0.00 61.98 63.14 3adf s VAL 44 Cb -0.13 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3adf s VAL 44 CO -0.09 -0.01 0.50 0.35 0.00 0.00 0.00 175.10 175.85 3adf n THR 45 N 4.71 0.00 -3.73 3.92 -2.24 0.79 -4.93 114.28 112.80 3adf n THR 45 Ca 0.13 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3adf n THR 45 Cb 0.43 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 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 -1.10 0.47 0.00 -0.78 2.02 -1.01 -4.88 118.70 113.42 3adf s GLU 46 Ca 0.05 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.64 3adf s GLU 46 Cb 0.05 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.49 3adf s GLU 46 CO 0.17 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.80 3adf n GLY 47 N 3.02 0.76 3.78 -1.39 0.00 -1.26 -1.30 105.19 108.80 3adf n GLY 47 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.06 3.12 0.02 4.61 0.00 -1.26 -3.74 121.76 122.44 3adf s ALA 48 Ca 0.00 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 52.44 3adf s ALA 48 Cb 0.00 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3adf s ALA 48 CO 0.00 -0.19 0.67 -1.25 0.00 0.00 0.00 175.76 174.99 3adf s PRO 49 N -2.38 4.40 0.09 0.00 0.04 -1.26 -5.09 135.00 130.79 3adf s PRO 49 Ca 0.56 0.88 -0.35 0.00 0.04 0.00 0.00 61.00 62.13 3adf s PRO 49 Cb -0.23 -3.35 -0.15 0.00 0.04 0.00 0.00 34.50 30.82 3adf s PRO 49 CO 0.29 0.34 1.55 1.28 0.04 0.00 0.00 177.00 180.49 3adf n LEU 50 N 2.74 2.65 -2.63 -3.56 4.77 -1.25 -4.85 117.00 114.87 3adf n LEU 50 Ca -0.05 1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 56.64 3adf n LEU 50 Cb 0.51 -1.33 0.05 0.00 -2.33 0.00 0.00 43.42 40.31 3adf n LEU 50 CO 0.45 -0.50 1.51 -0.81 -1.33 0.00 0.00 177.39 176.71 3adf n PRO 51 N 3.61 2.68 -3.64 3.23 -0.04 -1.26 -4.92 135.00 134.66 3adf n PRO 51 Ca 0.19 -3.32 -0.10 0.00 -0.04 0.00 0.00 63.50 60.23 3adf n PRO 51 Cb 0.25 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 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 -3.81 -0.26 0.06 0.54 -0.12 -1.26 -4.75 117.98 108.38 3adf s PHE 52 Ca 0.57 -0.05 -0.31 0.00 -0.05 0.00 0.00 56.93 57.09 3adf s PHE 52 Cb 0.46 0.45 -0.08 0.00 -0.63 0.00 0.00 43.02 43.22 3adf s PHE 52 CO -0.24 -0.90 1.61 0.00 -0.05 0.00 0.00 175.22 175.65 3adf s ALA 53 N -3.83 3.67 0.40 1.99 0.00 0.01 -4.88 121.76 119.12 3adf s ALA 53 Ca 0.06 1.16 0.10 0.00 0.00 0.00 0.00 51.96 53.28 3adf s ALA 53 Cb -0.01 -3.68 0.83 0.00 0.00 0.00 0.00 23.12 20.26 3adf s ALA 53 CO -0.06 -1.06 1.94 -0.92 0.00 0.00 0.00 175.76 175.66 3adf h TYR 54 N 8.18 0.24 -0.96 0.00 3.20 -1.96 -2.83 116.97 122.83 3adf h TYR 54 Ca -0.42 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 61.71 3adf h TYR 54 Cb 1.20 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 3adf h TYR 54 CO 0.77 0.33 0.75 -0.44 -1.64 0.00 0.00 178.16 177.93 3adf h ASP 55 N 0.23 0.00 0.23 -2.11 3.32 -1.95 -0.18 116.42 115.96 3adf h ASP 55 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3adf h ASP 55 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3adf h ASP 55 CO 0.02 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.70 3adf h ILE 56 N 0.00 0.00 0.00 0.35 3.07 -1.89 -2.64 117.51 116.39 3adf h ILE 56 Ca 0.46 -0.09 -0.04 0.00 1.55 0.00 0.00 64.86 66.74 3adf h ILE 56 Cb 1.94 0.73 -0.01 0.00 -0.27 0.00 0.00 36.82 39.21 3adf h ILE 56 CO -0.00 0.00 -2.02 0.18 -1.05 0.00 0.00 178.15 175.26 3adf n LEU 57 N -2.42 0.00 -0.26 0.16 4.77 -0.08 -4.72 117.00 114.46 3adf n LEU 57 Ca -0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 3adf n LEU 57 Cb 0.10 0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3adf n LEU 57 CO 0.14 0.06 0.96 0.71 -1.33 0.00 0.00 177.39 177.93 3adf h THR 58 N 0.00 1.26 0.00 -5.08 1.35 -1.52 -0.90 112.91 108.02 3adf h THR 58 Ca -0.06 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 3adf h THR 58 Cb 1.12 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3adf h THR 58 CO 0.00 0.37 0.00 0.35 -0.25 0.00 0.00 175.52 175.99 3adf n THR 59 N -4.25 0.46 0.01 6.82 -2.24 -1.26 -2.59 114.28 111.23 3adf n THR 59 Ca 0.05 0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 3adf n THR 59 Cb 0.25 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 3adf n THR 59 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3adf h VAL 60 N 0.00 0.93 0.00 2.28 2.07 -1.49 -3.45 116.25 116.60 3adf h VAL 60 Ca 0.00 -2.68 -0.52 0.00 0.82 0.00 0.00 66.70 64.32 3adf h VAL 60 Cb 0.39 2.57 0.03 0.00 -1.52 0.00 0.00 31.29 32.75 3adf h VAL 60 CO 0.00 0.72 2.54 0.49 0.02 0.00 0.00 177.57 181.34 3adf n PHE 61 N -3.29 1.72 0.00 1.57 3.72 -0.93 -5.03 117.46 115.22 3adf n PHE 61 Ca -0.19 -1.98 0.00 0.00 -0.05 0.00 0.00 57.45 55.22 3adf n PHE 61 Cb 1.04 -1.75 0.00 0.00 -0.94 0.00 0.00 39.48 37.83 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 5.67 0.00 0.00 4.37 5.15 -1.26 -5.12 115.26 124.07 3adf n ASN 65 Ca 0.48 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.48 3adf n ASN 65 Cb 0.26 0.00 0.12 0.00 -0.53 0.00 0.00 39.78 39.63 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 0.14 0.10 1.20 5.12 -1.26 -1.14 116.66 120.82 3adf n ARG 66 Ca 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.96 3adf n ARG 66 Cb 0.00 -1.44 0.44 0.00 -1.16 0.00 0.00 32.46 30.30 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 2.16 1.64 -0.94 7.54 0.00 -1.96 -3.29 119.26 124.41 3adf h ALA 67 Ca 0.00 -0.12 -0.72 0.00 0.00 0.00 0.00 54.91 54.07 3adf h ALA 67 Cb 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.58 3adf h ALA 67 CO 0.00 0.27 2.10 1.19 0.00 0.00 0.00 179.25 182.81 3adf n PHE 68 N -4.38 4.11 -3.79 0.00 3.72 -0.29 -4.70 117.46 112.12 3adf n PHE 68 Ca 0.00 -3.01 -0.13 0.00 -0.05 0.00 0.00 57.45 54.27 3adf n PHE 68 Cb 0.18 -2.32 -0.12 0.00 -0.94 0.00 0.00 39.48 36.27 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 2.29 -0.00 -0.23 4.37 2.01 -1.18 -4.49 115.64 118.40 3adf s THR 69 Ca 0.46 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 3adf s THR 69 Cb 0.05 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 3adf s THR 69 CO 0.00 0.01 0.61 -0.75 -0.69 0.00 0.00 174.62 173.80 3adf s LYS 70 N 0.23 4.14 -0.19 4.92 2.20 -0.60 -4.46 119.74 125.98 3adf s LYS 70 Ca -0.01 0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 3adf s LYS 70 Cb -0.02 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3adf s LYS 70 CO -0.01 -0.34 -0.07 0.71 -0.36 0.00 0.00 175.35 175.29 3adf s TYR 71 N 2.26 2.93 0.94 4.03 1.51 -1.26 -0.72 117.35 127.03 3adf s TYR 71 Ca 0.26 -0.81 -0.14 0.00 -1.01 0.00 0.00 57.07 55.37 3adf s TYR 71 Cb -0.16 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 3adf s TYR 71 CO 0.09 -0.42 0.02 -2.30 -1.11 0.00 0.00 175.55 171.83 3adf n PRO 72 N 4.34 -0.15 0.24 -1.71 -0.02 -1.26 -4.86 135.00 131.58 3adf n PRO 72 Ca -0.18 -0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.36 3adf n PRO 72 Cb 0.51 -1.56 0.57 0.00 -0.02 0.00 0.00 33.50 33.01 3adf n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3adf h ALA 73 N -1.26 1.55 -0.62 3.55 0.00 -1.99 -3.09 119.26 117.39 3adf h ALA 73 Ca -0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3adf h ALA 73 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3adf h ALA 73 CO 0.31 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.38 3adf n ASP 74 N -4.09 3.70 -4.30 0.00 5.75 -1.26 -4.78 116.55 111.57 3adf n ASP 74 Ca -0.02 -1.99 -0.35 0.00 -0.01 0.00 0.00 54.79 52.42 3adf n ASP 74 Cb 0.25 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 39.78 3adf n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3adf s ILE 75 N -1.05 3.22 -0.02 2.12 1.01 -1.17 -5.07 121.20 120.24 3adf s ILE 75 Ca 0.43 -0.55 -0.33 0.00 0.00 0.00 0.00 60.65 60.20 3adf s ILE 75 Cb 0.23 -2.45 -0.11 0.00 0.01 0.00 0.00 42.46 40.13 3adf s ILE 75 CO 0.30 0.44 1.88 1.67 0.00 0.00 0.00 174.94 179.23 3adf n GLN 76 N 4.68 2.40 -3.05 2.79 -0.06 -1.26 -4.72 117.38 118.16 3adf n GLN 76 Ca -0.18 0.88 -0.44 0.00 -2.00 0.00 0.00 57.00 55.25 3adf n GLN 76 Cb 0.51 -2.75 -0.01 0.00 -4.06 0.00 0.00 30.24 23.93 3adf n GLN 76 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3adf s ASP 77 N 3.84 7.04 0.24 1.69 -1.08 -1.26 -4.77 116.67 122.37 3adf s ASP 77 Ca 0.90 -2.97 -0.06 0.00 -0.52 0.00 0.00 52.55 49.91 3adf s ASP 77 Cb -0.61 -2.35 0.42 0.00 -1.46 0.00 0.00 42.92 38.92 3adf s ASP 77 CO 0.47 -0.69 1.72 0.22 0.52 0.00 0.00 175.17 177.41 3adf h TYR 78 N 7.33 0.40 -0.05 -5.34 3.20 -1.90 -3.07 116.97 117.55 3adf h TYR 78 Ca 0.25 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3adf h TYR 78 Cb 0.90 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 3adf h TYR 78 CO 1.04 0.02 -0.02 0.74 -1.64 0.00 0.00 178.16 178.30 3adf h PHE 79 N 0.37 0.11 -0.02 -3.82 0.04 -1.89 -2.31 116.94 109.41 3adf h PHE 79 Ca 0.39 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 61.14 3adf h PHE 79 Cb 0.60 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.72 3adf h PHE 79 CO -0.20 0.46 0.02 0.87 -0.60 0.00 0.00 178.31 178.86 3adf h LYS 80 N -0.28 0.00 -0.00 1.51 1.57 -1.86 -2.27 116.57 115.24 3adf h LYS 80 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3adf h LYS 80 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3adf h LYS 80 CO 0.01 0.00 -0.01 1.04 -0.57 0.00 0.00 179.45 179.91 3adf n GLN 81 N -4.49 0.77 0.00 3.15 6.02 -0.89 -3.13 117.38 118.80 3adf n GLN 81 Ca -0.02 -0.06 0.13 0.00 -0.01 0.00 0.00 57.00 57.03 3adf n GLN 81 Cb 0.11 -1.50 0.45 0.00 1.02 0.00 0.00 30.24 30.33 3adf n GLN 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3adf n THR 82 N -1.06 0.00 -3.52 5.09 -2.24 -0.85 -4.86 114.28 106.83 3adf n THR 82 Ca 0.19 -0.02 -0.29 0.00 -2.27 0.00 0.00 64.05 61.65 3adf n THR 82 Cb 0.19 -0.04 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 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 3.47 -0.18 4.78 0.40 -1.18 0.61 117.98 123.04 3adf s PHE 83 Ca 0.17 0.57 0.26 0.00 -0.60 0.00 0.00 56.93 57.32 3adf s PHE 83 Cb 0.19 -2.03 0.69 0.00 0.51 0.00 0.00 43.02 42.38 3adf s PHE 83 CO 0.58 0.30 1.73 -1.00 0.70 0.00 0.00 175.22 177.53 3adf h PRO 84 N 2.12 0.00 -0.95 0.24 0.13 -1.89 -3.46 132.00 128.18 3adf h PRO 84 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3adf h PRO 84 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 3adf h PRO 84 CO 0.68 0.08 0.63 0.93 -0.23 0.00 0.00 178.00 180.09 3adf h GLU 85 N 0.00 1.25 0.00 0.86 3.07 -1.91 -3.37 114.58 114.48 3adf h GLU 85 Ca -0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3adf h GLU 85 Cb 0.86 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3adf h GLU 85 CO 0.01 0.82 0.00 0.41 -1.40 0.00 0.00 179.01 178.85 3adf n GLY 86 N -1.36 -1.15 3.83 -3.84 0.00 0.20 -4.76 105.19 98.11 3adf n GLY 86 Ca 0.11 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.14 0.08 1.61 -0.85 -0.73 -1.05 117.35 116.27 3adf s TYR 87 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.28 3adf s TYR 87 Cb 0.00 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 43.01 3adf s TYR 87 CO 0.00 -1.15 -0.09 -3.38 -1.52 0.00 0.00 175.55 169.41 3adf s HIS 88 N -3.56 0.91 0.18 -3.49 -3.43 -0.84 -0.42 115.29 104.64 3adf s HIS 88 Ca 0.12 -0.66 0.02 0.00 -0.80 0.00 0.00 55.06 53.75 3adf s HIS 88 Cb -0.05 -0.52 -0.05 0.00 -1.43 0.00 0.00 32.58 30.54 3adf s HIS 88 CO 0.06 -0.06 -0.01 1.67 -2.00 0.00 0.00 174.74 174.41 3adf s TRP 89 N -2.32 1.25 -0.01 0.38 1.48 -0.30 -1.07 118.94 118.34 3adf s TRP 89 Ca 0.02 -0.99 -0.02 0.00 -1.06 0.00 0.00 56.10 54.05 3adf s TRP 89 Cb -0.04 -0.71 0.00 0.00 -1.16 0.00 0.00 33.47 31.57 3adf s TRP 89 CO -0.01 -0.17 0.04 -1.21 -4.06 0.00 0.00 176.95 171.54 3adf s GLU 90 N -3.90 0.11 -0.06 3.25 8.01 -0.26 -1.81 118.70 124.05 3adf s GLU 90 Ca 0.24 -0.06 -0.02 0.00 0.01 0.00 0.00 54.97 55.13 3adf s GLU 90 Cb 0.06 0.05 0.03 0.00 -4.31 0.00 0.00 34.13 29.96 3adf s GLU 90 CO 0.04 -0.02 0.12 0.50 0.01 0.00 0.00 175.26 175.92 3adf s ARG 91 N -0.26 0.08 0.02 1.61 3.52 -0.21 -0.22 118.95 123.48 3adf s ARG 91 Ca -0.03 0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 3adf s ARG 91 Cb -0.02 -0.16 -0.04 0.00 -1.56 0.00 0.00 34.95 33.17 3adf s ARG 91 CO -0.00 -0.15 0.09 -1.54 -0.81 0.00 0.00 175.30 172.89 3adf s SER 92 N 1.03 5.68 -0.24 -2.12 1.04 -0.61 -0.92 113.70 117.56 3adf s SER 92 Ca -0.08 0.12 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 3adf s SER 92 Cb -0.11 -1.61 0.08 0.00 0.10 0.00 0.00 66.02 64.48 3adf s SER 92 CO -0.05 0.25 0.07 -0.04 0.98 0.00 0.00 173.24 174.45 3adf s MET 93 N -1.90 0.54 -0.35 4.02 -1.94 0.49 -2.05 119.30 118.10 3adf s MET 93 Ca 0.25 -0.59 -0.11 0.00 -1.71 0.00 0.00 55.69 53.54 3adf s MET 93 Cb -0.12 -1.89 0.01 0.00 2.01 0.00 0.00 34.83 34.84 3adf s MET 93 CO 0.16 -0.80 0.19 0.99 -0.01 0.00 0.00 175.02 175.55 3adf s THR 94 N 1.86 4.61 0.29 2.05 2.01 -0.67 -1.86 115.64 123.93 3adf s THR 94 Ca 0.04 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.22 3adf s THR 94 Cb -0.17 -3.49 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 3adf s THR 94 CO -0.18 -0.13 0.68 -0.31 -0.69 0.00 0.00 174.62 173.99 3adf s TYR 95 N 1.58 3.39 0.59 4.92 2.02 -0.78 -0.40 117.35 128.67 3adf s TYR 95 Ca 0.03 1.11 0.29 0.00 -0.37 0.00 0.00 57.07 58.14 3adf s TYR 95 Cb -0.18 -2.45 1.60 0.00 -0.40 0.00 0.00 41.96 40.53 3adf s TYR 95 CO 0.07 0.15 1.89 1.05 -1.57 0.00 0.00 175.55 177.14 3adf h GLU 96 N 2.36 0.00 -0.51 -0.62 4.11 -1.67 -0.33 114.58 117.91 3adf h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3adf h GLU 96 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3adf h GLU 96 CO 0.67 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.35 3adf n ASP 97 N -2.81 4.63 0.00 3.06 5.75 -1.26 -4.94 116.55 120.97 3adf n ASP 97 Ca -0.02 -2.65 0.00 0.00 -0.01 0.00 0.00 54.79 52.11 3adf n ASP 97 Cb 0.35 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 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 0.58 0.00 -1.72 0.11 6.02 -0.13 -4.72 117.38 117.51 3adf n GLN 98 Ca 0.24 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.80 3adf n GLN 98 Cb 0.92 -2.29 -0.02 0.00 1.02 0.00 0.00 30.24 29.87 3adf n GLN 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3adf n GLY 99 N -2.00 1.25 2.98 1.08 0.00 -1.23 -4.75 105.19 102.53 3adf n GLY 99 Ca 0.00 0.51 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 3adf n GLY 99 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3adf s ILE 100 N 0.23 0.66 0.04 -0.61 -1.09 0.12 -1.87 121.20 118.68 3adf s ILE 100 Ca 0.67 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.82 3adf s ILE 100 Cb -0.54 -0.58 -0.02 0.00 -1.58 0.00 0.00 42.46 39.74 3adf s ILE 100 CO 0.45 0.21 -0.11 0.00 -1.23 0.00 0.00 174.94 174.26 3adf s THR 102 N -1.05 1.63 -0.03 0.00 -4.23 -0.39 -0.38 115.64 111.19 3adf s THR 102 Ca -0.03 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 3adf s THR 102 Cb -0.08 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 72.12 3adf s THR 102 CO 0.01 -0.28 0.21 0.00 -0.54 0.00 0.00 174.62 174.02 3adf s ALA 103 N -1.82 -0.51 -0.04 3.99 0.00 -0.10 -1.38 121.76 121.89 3adf s ALA 103 Ca 0.11 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.29 3adf s ALA 103 Cb -0.07 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3adf s ALA 103 CO 0.05 -0.19 -0.08 0.99 0.00 0.00 0.00 175.76 176.52 3adf s THR 104 N -0.95 0.77 -0.08 0.00 2.01 -0.60 -1.04 115.64 115.76 3adf s THR 104 Ca -0.10 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.61 3adf s THR 104 Cb -0.05 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.76 3adf s THR 104 CO 0.02 0.25 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.50 3adf s SER 105 N 0.45 2.16 -0.27 3.53 0.15 -0.75 -1.06 113.70 117.90 3adf s SER 105 Ca -0.07 -0.37 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 3adf s SER 105 Cb -0.11 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.21 3adf s SER 105 CO 0.01 0.07 0.02 0.21 1.20 0.00 0.00 173.24 174.75 3adf s ASN 106 N 0.57 4.78 -0.20 5.45 3.84 -0.35 -1.16 114.94 127.87 3adf s ASN 106 Ca -0.16 -0.73 -0.05 0.00 0.21 0.00 0.00 52.86 52.14 3adf s ASN 106 Cb -0.16 -1.79 -0.02 0.00 -0.55 0.00 0.00 41.25 38.72 3adf s ASN 106 CO 0.05 -0.15 -0.01 -0.63 -2.79 0.00 0.00 177.10 173.58 3adf s ILE 107 N 1.44 3.86 0.39 -5.21 1.01 0.44 -1.02 121.20 122.10 3adf s ILE 107 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.35 3adf s ILE 107 Cb -0.17 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3adf s ILE 107 CO -0.00 0.42 0.10 -1.54 0.00 0.00 0.00 174.94 173.92 3adf n SER 108 N 4.35 1.69 -3.79 3.58 3.41 -0.16 -1.78 113.62 120.92 3adf n SER 108 Ca -0.17 -2.95 -0.13 0.00 -0.26 0.00 0.00 58.87 55.36 3adf n SER 108 Cb 0.52 0.78 -0.12 0.00 -0.26 0.00 0.00 64.21 65.12 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 -3.44 0.25 -0.15 4.33 1.75 -1.26 -0.37 119.30 120.41 3adf s MET 109 Ca 0.14 0.34 -0.03 0.00 -1.25 0.00 0.00 55.69 54.89 3adf s MET 109 Cb 0.01 0.09 0.05 0.00 2.84 0.00 0.00 34.83 37.82 3adf s MET 109 CO 0.10 -0.05 0.06 1.03 -0.65 0.00 0.00 175.02 175.51 3adf s ARG 110 N 0.29 0.29 6.23 4.11 1.81 -0.12 -4.98 118.95 126.58 3adf s ARG 110 Ca -0.01 -0.10 0.00 0.00 -1.72 0.00 0.00 55.73 53.89 3adf s ARG 110 Cb -0.03 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.83 3adf s ARG 110 CO -0.01 -0.57 0.00 0.41 -0.68 0.00 0.00 175.30 174.45 3adf n GLY 111 N 5.19 3.41 0.43 -3.53 0.00 -1.26 -1.84 105.19 107.60 3adf n GLY 111 Ca -0.07 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.90 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 4.28 1.04 -4.09 1.61 5.68 -1.26 -4.86 116.55 118.95 3adf n ASP 112 Ca 0.00 -2.06 -0.27 0.00 -0.50 0.00 0.00 54.79 51.96 3adf n ASP 112 Cb 0.00 -0.32 -0.17 0.00 -1.14 0.00 0.00 41.12 39.50 3adf n ASP 112 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3adf s PHE 114 N 0.60 3.55 -0.08 0.00 0.08 0.42 -0.95 117.98 121.59 3adf s PHE 114 Ca -0.15 1.61 0.03 0.00 0.12 0.00 0.00 56.93 58.53 3adf s PHE 114 Cb -0.16 -2.81 0.01 0.00 -0.57 0.00 0.00 43.02 39.48 3adf s PHE 114 CO 0.05 0.13 -0.16 -0.06 -0.10 0.00 0.00 175.22 175.08 3adf s PHE 115 N -1.80 1.87 -0.13 0.36 0.08 0.50 -1.51 117.98 117.36 3adf s PHE 115 Ca 0.53 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 3adf s PHE 115 Cb -0.15 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 40.96 3adf s PHE 115 CO 0.20 -0.35 -0.05 0.71 -0.10 0.00 0.00 175.22 175.62 3adf s TYR 116 N 0.62 2.99 -0.32 0.36 2.02 -0.57 -0.99 117.35 121.45 3adf s TYR 116 Ca -0.15 -0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3adf s TYR 116 Cb -0.16 -1.88 0.06 0.00 -0.40 0.00 0.00 41.96 39.58 3adf s TYR 116 CO 0.05 0.06 0.03 0.34 -1.57 0.00 0.00 175.55 174.45 3adf s ASP 117 N 0.02 4.93 -0.06 2.29 2.15 -0.19 -2.14 116.67 123.67 3adf s ASP 117 Ca -0.00 -1.41 0.06 0.00 0.43 0.00 0.00 52.55 51.63 3adf s ASP 117 Cb -0.13 -1.72 -0.01 0.00 -0.30 0.00 0.00 42.92 40.76 3adf s ASP 117 CO 0.03 -0.30 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.86 3adf s ILE 118 N 1.22 2.00 -0.07 4.11 1.01 -0.65 -1.21 121.20 127.61 3adf s ILE 118 Ca -0.03 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.64 3adf s ILE 118 Cb -0.20 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 3adf s ILE 118 CO -0.02 0.55 -0.20 -0.60 0.00 0.00 0.00 174.94 174.68 3adf s ARG 119 N -0.04 2.69 -0.02 2.79 6.06 -0.23 -1.16 118.95 129.03 3adf s ARG 119 Ca -0.07 -0.81 0.01 0.00 -2.50 0.00 0.00 55.73 52.36 3adf s ARG 119 Cb -0.14 -2.30 0.02 0.00 0.06 0.00 0.00 34.95 32.58 3adf s ARG 119 CO 0.05 0.42 -0.01 0.12 -2.50 0.00 0.00 175.30 173.37 3adf s PHE 120 N -0.22 0.35 -0.03 5.12 5.36 -0.66 -1.55 117.98 126.35 3adf s PHE 120 Ca -0.01 -0.03 -0.00 0.00 -0.96 0.00 0.00 56.93 55.93 3adf s PHE 120 Cb -0.13 -0.39 0.03 0.00 -0.34 0.00 0.00 43.02 42.19 3adf s PHE 120 CO 0.03 -0.11 0.03 -0.51 -1.46 0.00 0.00 175.22 173.20 3adf s ASP 121 N 0.76 0.36 -0.08 6.13 1.01 -0.48 -1.83 116.67 122.55 3adf s ASP 121 Ca -0.08 0.03 0.05 0.00 0.71 0.00 0.00 52.55 53.26 3adf s ASP 121 Cb -0.11 -0.13 -0.00 0.00 1.01 0.00 0.00 42.92 43.69 3adf s ASP 121 CO -0.01 -0.14 -0.24 -0.83 0.21 0.00 0.00 175.17 174.16 3adf s GLY 122 N 1.25 1.29 0.15 0.21 0.00 -0.01 -1.26 107.32 108.96 3adf s GLY 122 Ca -0.07 -0.99 0.08 0.00 0.00 0.00 0.00 44.72 43.75 3adf s GLY 122 CO -0.03 -0.46 -0.19 -0.51 0.00 0.00 0.00 173.10 171.91 3adf s THR 123 N 0.12 1.77 -1.50 0.90 -4.23 0.23 -1.19 115.64 111.74 3adf s THR 123 Ca -0.12 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 3adf s THR 123 Cb -0.16 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.93 3adf s THR 123 CO 0.06 -0.25 0.16 0.59 -0.54 0.00 0.00 174.62 174.65 3adf n ASN 124 N 0.52 -5.39 -4.70 3.99 3.02 -1.26 -0.70 115.26 110.74 3adf n ASN 124 Ca -0.15 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.89 3adf n ASN 124 Cb 0.56 -4.38 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 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 -2.97 3.32 0.16 3.10 0.08 -1.26 -3.47 117.98 116.94 3adf s PHE 125 Ca 0.08 1.30 -0.33 0.00 0.12 0.00 0.00 56.93 58.09 3adf s PHE 125 Cb -0.04 -3.39 -0.13 0.00 -0.57 0.00 0.00 43.02 38.89 3adf s PHE 125 CO 0.10 -1.16 1.64 -2.30 -0.10 0.00 0.00 175.22 173.40 3adf n PRO 126 N 4.66 2.33 0.23 0.24 -0.02 -1.26 -4.80 135.00 136.38 3adf n PRO 126 Ca 0.10 0.84 0.16 0.00 -2.02 0.00 0.00 63.50 62.58 3adf n PRO 126 Cb 0.47 -2.64 0.77 0.00 -0.02 0.00 0.00 33.50 32.08 3adf n PRO 126 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3adf h PRO 127 N 6.42 0.00 -0.37 0.52 0.13 -1.99 0.27 132.00 136.98 3adf h PRO 127 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3adf h PRO 127 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3adf h PRO 127 CO 0.91 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.77 3adf n ASN 128 N -2.64 3.77 -4.75 1.44 5.03 -1.26 -4.55 115.26 112.30 3adf n ASN 128 Ca -0.01 -2.55 -0.29 0.00 0.87 0.00 0.00 54.58 52.61 3adf n ASN 128 Cb 0.13 -0.44 0.11 0.00 -1.02 0.00 0.00 39.78 38.56 3adf n ASN 128 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3adf s GLY 129 N -1.37 1.64 0.54 7.41 0.00 0.96 -4.84 107.32 111.66 3adf s GLY 129 Ca 0.37 -0.80 0.33 0.00 0.00 0.00 0.00 44.72 44.62 3adf s GLY 129 CO 0.14 -0.26 2.00 -0.56 0.00 0.00 0.00 173.10 174.43 3adf h PRO 130 N -1.12 0.00 0.10 2.90 0.13 -1.95 -0.99 132.00 131.07 3adf h PRO 130 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3adf h PRO 130 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3adf h PRO 130 CO 0.60 0.05 -0.05 0.28 -0.23 0.00 0.00 178.00 178.65 3adf h VAL 131 N 0.00 0.99 0.00 1.56 2.07 -1.93 0.52 116.25 119.46 3adf h VAL 131 Ca -0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3adf h VAL 131 Cb 0.49 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3adf h VAL 131 CO 0.01 0.28 0.00 0.24 0.02 0.00 0.00 177.57 178.12 3adf h MET 132 N -0.87 0.00 -0.01 1.57 2.86 -1.75 0.15 114.93 116.88 3adf h MET 132 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3adf h MET 132 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3adf h MET 132 CO 0.02 0.00 -0.42 1.04 1.06 0.00 0.00 176.91 178.61 3adf n GLN 133 N -3.06 1.15 -3.23 1.72 1.13 -0.39 -4.69 117.38 110.01 3adf n GLN 133 Ca 0.00 -0.90 -0.15 0.00 -1.94 0.00 0.00 57.00 54.01 3adf n GLN 133 Cb 0.28 -1.48 0.08 0.00 0.11 0.00 0.00 30.24 29.23 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 -0.14 -4.96 -0.34 -1.09 5.02 -0.62 -4.93 118.16 111.10 3adf n LYS 134 Ca 0.10 0.77 0.09 0.00 -2.02 0.00 0.00 58.31 57.25 3adf n LYS 134 Cb 0.44 -5.50 0.27 0.00 -0.02 0.00 0.00 35.03 30.22 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 -3.62 2.94 -3.06 1.97 4.76 0.08 -4.98 118.16 116.24 3adf n LYS 135 Ca -0.21 -2.50 -0.35 0.00 -2.87 0.00 0.00 58.31 52.38 3adf n LYS 135 Cb 0.64 -1.52 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 3adf n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3adf s THR 136 N -1.20 4.55 -0.11 -0.18 -4.23 -1.26 -0.03 115.64 113.19 3adf s THR 136 Ca 0.40 1.25 0.00 0.00 -1.18 0.00 0.00 61.69 62.16 3adf s THR 136 Cb 0.22 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 70.22 3adf s THR 136 CO 0.25 0.05 -0.10 0.18 -0.54 0.00 0.00 174.62 174.46 3adf n LEU 137 N 0.28 2.79 0.00 4.79 4.77 0.10 -4.80 117.00 124.93 3adf n LEU 137 Ca 0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3adf n LEU 137 Cb 0.52 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3adf n LEU 137 CO 0.42 0.64 0.00 2.29 -1.33 0.00 0.00 177.39 179.41 3adf n LYS 138 N -2.87 0.00 -2.54 3.23 2.85 -1.21 -4.99 118.16 112.62 3adf n LYS 138 Ca -0.19 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.66 3adf n LYS 138 Cb 0.70 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 35.03 3adf n LYS 138 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 3adf s TRP 139 N -2.00 3.66 0.52 5.58 0.52 -1.26 0.05 118.94 126.01 3adf s TRP 139 Ca 0.00 1.70 -0.20 0.00 0.02 0.00 0.00 56.10 57.62 3adf s TRP 139 Cb 0.00 -3.22 -0.07 0.00 -1.15 0.00 0.00 33.47 29.03 3adf s TRP 139 CO 0.00 -0.38 1.09 -1.21 0.02 0.00 0.00 176.95 176.47 3adf s GLU 140 N -0.96 3.54 0.54 4.98 0.41 0.96 -4.76 118.70 123.42 3adf s GLU 140 Ca 0.46 1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 56.32 3adf s GLU 140 Cb -0.30 -2.04 -0.07 0.00 -1.78 0.00 0.00 34.13 29.93 3adf s GLU 140 CO 0.37 -0.67 0.84 -2.30 -0.49 0.00 0.00 175.26 173.00 3adf n PRO 141 N -1.17 0.88 -4.19 0.39 -0.02 -1.26 -4.77 135.00 124.87 3adf n PRO 141 Ca 0.11 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3adf n PRO 141 Cb 0.52 -1.99 -0.09 0.00 -0.02 0.00 0.00 33.50 31.92 3adf n PRO 141 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3adf s SER 142 N -1.10 0.46 -0.14 2.55 1.04 -0.33 -4.96 113.70 111.22 3adf s SER 142 Ca 0.70 -1.42 -0.02 0.00 0.48 0.00 0.00 55.95 55.70 3adf s SER 142 Cb -0.46 0.45 0.04 0.00 0.10 0.00 0.00 66.02 66.15 3adf s SER 142 CO 0.52 -0.94 -0.00 -0.89 0.98 0.00 0.00 173.24 172.90 3adf s THR 143 N -3.94 0.66 -0.11 2.02 2.01 -1.26 -0.53 115.64 114.48 3adf s THR 143 Ca 0.37 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 3adf s THR 143 Cb 0.05 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3adf s THR 143 CO 0.15 0.06 0.70 -0.70 -0.69 0.00 0.00 174.62 174.14 3adf s GLU 144 N 1.83 4.36 -0.40 4.92 2.12 0.89 -4.67 118.70 127.76 3adf s GLU 144 Ca 0.02 0.83 -0.22 0.00 0.36 0.00 0.00 54.97 55.95 3adf s GLU 144 Cb -0.15 -3.49 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3adf s GLU 144 CO -0.07 -0.06 0.72 0.15 -0.54 0.00 0.00 175.26 175.46 3adf s LYS 145 N 1.24 3.55 -0.15 4.30 1.02 0.38 -0.51 119.74 129.57 3adf s LYS 145 Ca 0.35 0.01 -0.13 0.00 0.02 0.00 0.00 55.97 56.22 3adf s LYS 145 Cb -0.17 -3.87 -0.05 0.00 -0.52 0.00 0.00 37.83 33.22 3adf s LYS 145 CO 0.15 -0.92 0.28 -1.64 -0.92 0.00 0.00 175.35 172.29 3adf s MET 146 N 3.01 4.16 0.33 1.68 -1.94 -0.13 -0.77 119.30 125.64 3adf s MET 146 Ca 0.28 0.08 -0.17 0.00 -1.71 0.00 0.00 55.69 54.17 3adf s MET 146 Cb -0.13 -3.39 0.03 0.00 2.01 0.00 0.00 34.83 33.35 3adf s MET 146 CO 0.18 0.32 0.71 1.52 -0.01 0.00 0.00 175.02 177.75 3adf s TYR 147 N 0.21 0.08 -0.06 -0.03 -0.85 -0.88 -1.78 117.35 114.04 3adf s TYR 147 Ca 0.16 -0.62 0.04 0.00 -0.52 0.00 0.00 57.07 56.14 3adf s TYR 147 Cb -0.13 0.67 -0.00 0.00 0.38 0.00 0.00 41.96 42.88 3adf s TYR 147 CO 0.04 -1.36 -0.20 0.08 -1.52 0.00 0.00 175.55 172.59 3adf s VAL 148 N -3.15 1.71 -0.01 -3.49 1.01 -1.26 -0.42 120.40 114.80 3adf s VAL 148 Ca 0.15 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3adf s VAL 148 Cb -0.05 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.86 3adf s VAL 148 CO 0.10 0.48 -0.02 -0.70 0.00 0.00 0.00 175.10 174.96 3adf s GLU 149 N 0.16 0.20 -0.93 2.72 2.12 -1.06 -4.84 118.70 117.08 3adf s GLU 149 Ca -0.09 -0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 3adf s GLU 149 Cb -0.14 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.04 3adf s GLU 149 CO 0.05 0.02 0.06 -0.25 -0.54 0.00 0.00 175.26 174.60 3adf n ASP 150 N 3.20 0.27 -0.05 -1.70 8.00 -1.26 0.30 116.55 125.31 3adf n ASP 150 Ca -0.15 -0.73 -0.01 0.00 0.71 0.00 0.00 54.79 54.61 3adf n ASP 150 Cb 0.58 -0.92 -0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3adf n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3adf n GLY 151 N -1.72 0.37 3.37 0.44 0.00 -1.26 -5.02 105.19 101.36 3adf n GLY 151 Ca -0.14 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3adf n GLY 151 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3adf s VAL 152 N -1.69 2.50 -0.02 1.61 -7.23 0.15 -5.07 120.40 110.65 3adf s VAL 152 Ca 0.00 -0.92 -0.30 0.00 -1.81 0.00 0.00 61.98 58.95 3adf s VAL 152 Cb 0.00 -1.94 -0.06 0.00 0.56 0.00 0.00 36.38 34.95 3adf s VAL 152 CO 0.00 0.58 1.54 -0.22 -0.31 0.00 0.00 175.10 176.69 3adf s LEU 153 N -0.47 4.32 0.35 1.32 2.96 -1.25 -2.55 118.68 123.35 3adf s LEU 153 Ca 0.06 2.20 0.09 0.00 -0.22 0.00 0.00 54.13 56.26 3adf s LEU 153 Cb -0.12 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.97 3adf s LEU 153 CO 0.01 -0.84 -0.03 -0.54 -1.32 0.00 0.00 176.35 173.64 3adf s LYS 154 N 3.18 1.98 -0.22 1.98 1.02 0.44 -0.92 119.74 127.21 3adf s LYS 154 Ca 0.69 -1.84 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 3adf s LYS 154 Cb -0.33 -1.83 0.10 0.00 -0.52 0.00 0.00 37.83 35.25 3adf s LYS 154 CO 0.28 0.13 0.45 0.20 -0.92 0.00 0.00 175.35 175.48 3adf s GLY 155 N -3.68 -0.43 -0.01 -3.33 0.00 -0.34 -2.07 107.32 97.47 3adf s GLY 155 Ca 0.34 1.55 0.06 0.00 0.00 0.00 0.00 44.72 46.67 3adf s GLY 155 CO 0.18 2.54 -0.19 0.99 0.00 0.00 0.00 173.10 176.62 3adf s ASP 156 N 2.65 3.67 -0.17 1.64 1.01 0.05 -1.34 116.67 124.18 3adf s ASP 156 Ca -0.00 -0.35 -0.10 0.00 0.71 0.00 0.00 52.55 52.81 3adf s ASP 156 Cb -0.12 -0.62 0.05 0.00 1.01 0.00 0.00 42.92 43.24 3adf s ASP 156 CO -0.14 0.31 0.41 0.54 0.21 0.00 0.00 175.17 176.50 3adf s VAL 157 N -0.76 -0.02 -0.38 -1.27 0.11 -0.89 -0.47 120.40 116.72 3adf s VAL 157 Ca 0.12 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.00 3adf s VAL 157 Cb -0.10 -0.60 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3adf s VAL 157 CO 0.02 0.03 0.86 0.20 -3.33 0.00 0.00 175.10 172.88 3adf s ASN 158 N 1.16 6.60 0.02 3.54 0.02 -1.26 -1.78 114.94 123.24 3adf s ASN 158 Ca -0.08 0.41 -0.00 0.00 -1.02 0.00 0.00 52.86 52.17 3adf s ASN 158 Cb -0.07 -2.43 -0.04 0.00 0.02 0.00 0.00 41.25 38.73 3adf s ASN 158 CO -0.10 -0.83 0.12 -0.04 0.02 0.00 0.00 177.10 176.28 3adf s MET 159 N 3.34 3.17 -0.10 -0.60 -1.94 0.14 -4.85 119.30 118.46 3adf s MET 159 Ca 0.35 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 3adf s MET 159 Cb -0.12 -2.91 0.02 0.00 2.01 0.00 0.00 34.83 33.83 3adf s MET 159 CO 0.19 0.63 -0.09 1.03 -0.01 0.00 0.00 175.02 176.76 3adf s ARG 160 N -2.05 1.64 -0.24 2.03 0.52 -1.26 -0.83 118.95 118.77 3adf s ARG 160 Ca 0.27 -0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 3adf s ARG 160 Cb -0.12 -1.58 -0.05 0.00 0.52 0.00 0.00 34.95 33.72 3adf s ARG 160 CO 0.19 -0.18 0.25 -1.17 0.02 0.00 0.00 175.30 174.40 3adf s LEU 161 N 1.40 4.11 0.10 2.53 2.96 -0.58 -0.03 118.68 129.17 3adf s LEU 161 Ca -0.00 0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 3adf s LEU 161 Cb -0.13 -2.25 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 3adf s LEU 161 CO -0.05 -0.01 1.09 -0.22 -1.32 0.00 0.00 176.35 175.84 3adf s LEU 162 N 1.29 4.44 0.21 -0.68 2.96 0.11 -1.21 118.68 125.79 3adf s LEU 162 Ca 0.11 1.95 0.04 0.00 -0.22 0.00 0.00 54.13 56.01 3adf s LEU 162 Cb -0.14 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3adf s LEU 162 CO 0.07 -0.27 0.33 -0.76 -1.32 0.00 0.00 176.35 174.39 3adf s LEU 163 N 0.33 4.31 0.09 -0.68 1.43 0.24 0.01 118.68 124.40 3adf s LEU 163 Ca 0.52 0.09 -0.33 0.00 -1.03 0.00 0.00 54.13 53.38 3adf s LEU 163 Cb -0.27 -2.86 -0.13 0.00 0.03 0.00 0.00 46.19 42.96 3adf s LEU 163 CO 0.31 -0.03 1.70 -0.62 0.23 0.00 0.00 176.35 177.95 3adf n GLU 164 N -1.12 2.27 -0.11 1.70 1.02 0.95 -1.00 120.64 124.36 3adf n GLU 164 Ca -0.08 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3adf n GLU 164 Cb 0.56 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 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 3.82 0.81 1.54 0.62 0.00 -1.26 -4.58 105.19 106.14 3adf n GLY 165 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.07 1.19 3.88 -0.02 0.00 -0.17 -5.05 105.19 102.95 3adf n GLY 166 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3adf n GLY 166 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3adf s GLY 167 N -1.78 1.60 0.13 -0.02 0.00 -1.24 -4.75 107.32 101.25 3adf s GLY 167 Ca 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 44.72 44.30 3adf s GLY 167 CO 0.00 -0.07 -0.27 0.30 0.00 0.00 0.00 173.10 173.06 3adf s HIS 168 N -3.47 2.29 -0.18 1.90 0.09 -1.26 0.80 115.29 115.45 3adf s HIS 168 Ca 0.61 -0.38 -0.00 0.00 -0.00 0.00 0.00 55.06 55.28 3adf s HIS 168 Cb -0.11 -1.23 0.05 0.00 -0.00 0.00 0.00 32.58 31.28 3adf s HIS 168 CO 0.50 0.35 -0.05 -0.47 -0.00 0.00 0.00 174.74 175.07 3adf s TYR 169 N -1.11 1.80 0.49 1.40 5.04 -0.35 -4.95 117.35 119.68 3adf s TYR 169 Ca 0.14 -1.21 -0.05 0.00 -2.44 0.00 0.00 57.07 53.51 3adf s TYR 169 Cb -0.10 -1.35 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 3adf s TYR 169 CO 0.06 -0.65 0.79 1.03 -1.34 0.00 0.00 175.55 175.44 3adf s ARG 170 N 1.60 3.48 -0.18 4.97 0.52 -1.26 -1.53 118.95 126.55 3adf s ARG 170 Ca -0.01 0.15 -0.14 0.00 -0.52 0.00 0.00 55.73 55.21 3adf s ARG 170 Cb -0.16 -2.38 0.05 0.00 0.52 0.00 0.00 34.95 32.98 3adf s ARG 170 CO -0.07 -0.23 0.47 0.00 0.02 0.00 0.00 175.30 175.48 3adf s ASP 172 N 0.68 5.89 -0.23 0.00 1.01 0.46 0.27 116.67 124.75 3adf s ASP 172 Ca -0.04 -0.58 -0.13 0.00 0.71 0.00 0.00 52.55 52.51 3adf s ASP 172 Cb -0.05 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 3adf s ASP 172 CO -0.05 -0.27 0.29 -0.36 0.21 0.00 0.00 175.17 174.99 3adf s PHE 173 N 1.67 3.33 -0.10 4.23 0.40 -0.73 -1.67 117.98 125.10 3adf s PHE 173 Ca 0.05 0.41 0.03 0.00 -0.60 0.00 0.00 56.93 56.82 3adf s PHE 173 Cb -0.18 -2.42 0.01 0.00 0.51 0.00 0.00 43.02 40.94 3adf s PHE 173 CO 0.09 -0.01 -0.21 0.15 0.70 0.00 0.00 175.22 175.94 3adf s LYS 174 N 1.32 2.76 -0.01 0.44 1.02 -0.87 -2.09 119.74 122.30 3adf s LYS 174 Ca 0.13 -0.77 0.04 0.00 0.02 0.00 0.00 55.97 55.39 3adf s LYS 174 Cb -0.14 -2.15 -0.01 0.00 -0.52 0.00 0.00 37.83 35.01 3adf s LYS 174 CO 0.07 0.09 -0.12 0.99 -0.92 0.00 0.00 175.35 175.46 3adf s THR 175 N 0.55 0.95 -0.08 2.17 2.01 -0.45 -1.57 115.64 119.21 3adf s THR 175 Ca -0.15 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.37 3adf s THR 175 Cb -0.17 -0.79 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 3adf s THR 175 CO 0.05 0.26 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.19 3adf s THR 176 N -0.29 2.79 -0.13 -0.82 2.01 0.70 -1.19 115.64 118.71 3adf s THR 176 Ca 0.05 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.27 3adf s THR 176 Cb -0.05 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.37 3adf s THR 176 CO -0.00 0.56 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.99 3adf s TYR 177 N -0.21 2.32 -0.14 4.92 2.02 -0.09 -1.10 117.35 125.07 3adf s TYR 177 Ca -0.00 -1.15 -0.02 0.00 -0.37 0.00 0.00 57.07 55.53 3adf s TYR 177 Cb -0.13 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3adf s TYR 177 CO 0.03 -0.56 0.01 0.21 -1.57 0.00 0.00 175.55 173.68 3adf s LYS 178 N 0.94 0.70 0.39 -0.62 2.47 -0.24 -3.90 119.74 119.48 3adf s LYS 178 Ca -0.06 -0.18 -0.27 0.00 -1.56 0.00 0.00 55.97 53.89 3adf s LYS 178 Cb -0.15 -1.59 -0.11 0.00 -1.46 0.00 0.00 37.83 34.53 3adf s LYS 178 CO -0.02 -0.47 1.46 0.00 0.16 0.00 0.00 175.35 176.47 3adf n ALA 179 N 5.08 2.20 0.22 3.13 0.00 -1.26 -1.99 120.51 127.89 3adf n ALA 179 Ca -0.08 0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 3adf n ALA 179 Cb 0.49 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.46 3adf n ALA 179 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3adf h LYS 180 N 2.75 -0.47 -5.11 0.00 3.64 -1.38 -3.41 116.57 112.59 3adf h LYS 180 Ca -0.50 0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.27 3adf h LYS 180 Cb 1.25 0.11 -0.21 0.00 -0.41 0.00 0.00 32.23 32.97 3adf h LYS 180 CO 0.63 -0.31 -0.62 0.21 -2.27 0.00 0.00 179.45 177.10 3adf s LYS 181 N -6.06 3.74 0.02 1.90 2.20 -1.26 -5.05 119.74 115.23 3adf s LYS 181 Ca -0.16 -0.45 -0.22 0.00 -0.36 0.00 0.00 55.97 54.79 3adf s LYS 181 Cb 0.04 -3.21 -0.11 0.00 -1.51 0.00 0.00 37.83 33.04 3adf s LYS 181 CO 0.64 0.03 0.56 -1.91 -0.36 0.00 0.00 175.35 174.30 3adf n GLU 182 N 4.26 0.00 -4.20 4.03 2.13 -1.26 -4.96 120.64 120.63 3adf n GLU 182 Ca -0.17 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.49 3adf n GLU 182 Cb 0.52 -0.81 -0.15 0.00 0.27 0.00 0.00 31.44 31.27 3adf n GLU 182 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3adf s VAL 183 N -0.10 0.48 0.24 6.31 1.01 -1.26 -5.10 120.40 121.98 3adf s VAL 183 Ca 0.50 -0.25 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 3adf s VAL 183 Cb -0.69 -0.41 -0.13 0.00 0.00 0.00 0.00 36.38 35.15 3adf s VAL 183 CO 0.33 0.14 1.57 0.54 0.00 0.00 0.00 175.10 177.68 3adf n ARG 184 N 3.02 2.44 -2.39 2.72 1.74 -1.26 -4.92 116.66 118.00 3adf n ARG 184 Ca -0.14 0.87 -0.38 0.00 -0.77 0.00 0.00 57.85 57.43 3adf n ARG 184 Cb 0.57 -2.63 -0.03 0.00 -1.02 0.00 0.00 32.46 29.35 3adf n ARG 184 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3adf s LEU 185 N 0.30 4.21 0.71 0.55 1.43 -1.26 -4.83 118.68 119.78 3adf s LEU 185 Ca 0.70 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.96 3adf s LEU 185 Cb -0.57 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 41.66 3adf s LEU 185 CO 0.43 -0.56 1.04 -2.16 0.23 0.00 0.00 176.35 175.33 3adf s PRO 186 N -2.27 2.38 0.73 1.29 0.04 -1.26 -5.06 135.00 130.85 3adf s PRO 186 Ca 0.56 -0.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.46 3adf s PRO 186 Cb -0.28 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.17 3adf s PRO 186 CO 0.35 -1.19 1.08 -0.51 0.04 0.00 0.00 177.00 176.77 3adf s ASP 187 N -4.47 5.12 0.29 6.66 1.01 -1.26 -4.86 116.67 119.16 3adf s ASP 187 Ca 0.59 1.42 -0.28 0.00 0.71 0.00 0.00 52.55 54.99 3adf s ASP 187 Cb -0.11 -2.24 -0.14 0.00 1.01 0.00 0.00 42.92 41.44 3adf s ASP 187 CO 0.47 -1.58 1.05 0.00 0.21 0.00 0.00 175.17 175.31 3adf n ALA 188 N -3.20 -0.07 -3.00 5.23 0.00 -1.26 -4.87 120.51 113.34 3adf n ALA 188 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3adf n ALA 188 Cb 0.55 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 0.30 -0.57 -4.16 0.00 1.44 -0.73 -5.02 115.22 106.48 3adf n HIS 189 Ca 0.09 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.65 3adf n HIS 189 Cb 0.32 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.79 0.80 -0.11 -1.40 1.02 -0.58 -0.95 119.74 117.72 3adf s LYS 190 Ca 0.00 -1.04 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 3adf s LYS 190 Cb 0.00 -0.60 0.03 0.00 -0.52 0.00 0.00 37.83 36.74 3adf s LYS 190 CO 0.00 0.11 -0.05 0.42 -0.92 0.00 0.00 175.35 174.91 3adf s ILE 191 N -1.92 0.88 -0.07 2.17 1.01 0.33 -1.18 121.20 122.42 3adf s ILE 191 Ca 0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 3adf s ILE 191 Cb -0.06 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3adf s ILE 191 CO 0.01 0.30 0.78 -1.81 0.00 0.00 0.00 174.94 174.22 3adf s ASP 192 N 1.76 7.06 -0.07 3.58 1.01 -0.48 -0.08 116.67 129.45 3adf s ASP 192 Ca 0.04 1.28 0.05 0.00 0.71 0.00 0.00 52.55 54.63 3adf s ASP 192 Cb -0.13 -2.45 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 3adf s ASP 192 CO -0.08 -0.20 -0.23 -1.00 0.21 0.00 0.00 175.17 173.87 3adf s HIS 193 N 1.11 2.36 -0.06 4.23 3.76 0.31 -1.90 115.29 125.10 3adf s HIS 193 Ca 0.41 -0.82 0.05 0.00 -0.15 0.00 0.00 55.06 54.54 3adf s HIS 193 Cb -0.18 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 3adf s HIS 193 CO 0.19 -0.29 -0.20 1.03 -0.85 0.00 0.00 174.74 174.62 3adf s ARG 194 N 0.10 2.13 0.01 1.40 0.52 -0.71 -1.18 118.95 121.21 3adf s ARG 194 Ca -0.10 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 3adf s ARG 194 Cb -0.15 -1.79 -0.01 0.00 0.52 0.00 0.00 34.95 33.52 3adf s ARG 194 CO 0.06 0.25 -0.07 -1.50 0.02 0.00 0.00 175.30 174.05 3adf s ILE 195 N 0.09 0.58 -0.18 1.52 2.07 -1.26 -1.55 121.20 122.46 3adf s ILE 195 Ca -0.07 -0.46 -0.14 0.00 -1.41 0.00 0.00 60.65 58.58 3adf s ILE 195 Cb -0.13 -0.51 0.05 0.00 0.13 0.00 0.00 42.46 42.00 3adf s ILE 195 CO 0.04 0.06 0.46 -0.70 -1.91 0.00 0.00 174.94 172.89 3adf s GLU 196 N -0.44 0.50 -0.56 3.50 2.12 0.10 -4.63 118.70 119.29 3adf s GLU 196 Ca 0.01 0.75 -0.27 0.00 0.36 0.00 0.00 54.97 55.82 3adf s GLU 196 Cb -0.04 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.52 3adf s GLU 196 CO -0.00 -0.11 1.11 0.42 -0.54 0.00 0.00 175.26 176.14 3adf s ILE 197 N 0.82 4.14 0.19 -3.70 1.01 -1.26 0.07 121.20 122.46 3adf s ILE 197 Ca -0.05 0.75 0.10 0.00 0.00 0.00 0.00 60.65 61.46 3adf s ILE 197 Cb -0.05 -4.66 -0.07 0.00 0.01 0.00 0.00 42.46 37.68 3adf s ILE 197 CO -0.06 -1.24 1.50 -0.07 0.00 0.00 0.00 174.94 175.06 3adf h LEU 198 N 11.58 0.00 -7.00 2.97 3.38 -1.21 -3.46 115.31 121.57 3adf h LEU 198 Ca -0.25 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3adf h LEU 198 Cb 1.06 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.60 3adf h LEU 198 CO 1.15 0.73 0.25 -0.75 0.09 0.00 0.00 178.44 179.91 3adf s LYS 199 N -3.26 0.88 -0.05 1.13 2.20 -1.17 -5.00 119.74 114.47 3adf s LYS 199 Ca -0.00 0.47 -0.26 0.00 -0.36 0.00 0.00 55.97 55.82 3adf s LYS 199 Cb 0.11 0.42 0.06 0.00 -1.51 0.00 0.00 37.83 36.91 3adf s LYS 199 CO 0.78 -0.22 0.58 -3.38 -0.36 0.00 0.00 175.35 172.74 3adf s HIS 200 N -0.62 -0.53 0.00 4.03 -3.43 -1.26 -0.57 115.29 112.90 3adf s HIS 200 Ca -0.05 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.13 3adf s HIS 200 Cb -0.02 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 3adf s HIS 200 CO 0.05 -0.54 0.00 -0.40 -2.00 0.00 0.00 174.74 171.85 3adf n ASP 201 N 1.08 0.00 -0.04 7.38 5.75 -0.47 -4.93 116.55 125.32 3adf n ASP 201 Ca -0.19 -0.73 -0.08 0.00 -0.01 0.00 0.00 54.79 53.77 3adf n ASP 201 Cb 0.57 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.75 3adf n ASP 201 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3adf h LYS 202 N 0.00 0.64 -0.44 0.11 3.64 -2.02 -3.07 116.57 115.43 3adf h LYS 202 Ca 0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3adf h LYS 202 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3adf h LYS 202 CO 0.00 0.90 0.00 -0.25 -2.27 0.00 0.00 179.45 177.83 3adf n ASP 203 N -4.06 3.19 -1.05 4.20 8.00 -1.26 -4.93 116.55 120.65 3adf n ASP 203 Ca -0.01 -1.96 -0.12 0.00 0.71 0.00 0.00 54.79 53.40 3adf n ASP 203 Cb 0.49 -0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.91 -0.14 -0.04 1.24 4.01 -1.16 -4.38 117.16 117.59 3adf n TYR 204 Ca 0.15 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.91 3adf n TYR 204 Cb 0.48 -2.37 0.33 0.00 -0.31 0.00 0.00 39.34 37.48 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 0.56 -3.21 7.72 2.35 -1.90 -3.41 115.58 117.69 3adf h ASN 205 Ca -0.26 -0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 54.88 3adf h ASN 205 Cb 0.90 -0.14 -0.36 0.00 0.05 0.00 0.00 38.32 38.77 3adf h ASN 205 CO 0.36 0.51 -0.82 -0.54 -1.65 0.00 0.00 177.43 175.29 3adf s LYS 206 N -5.30 1.88 -0.02 0.81 1.02 -1.25 -1.04 119.74 115.84 3adf s LYS 206 Ca -0.08 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.50 3adf s LYS 206 Cb 0.16 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.73 3adf s LYS 206 CO 0.76 -0.19 -0.01 0.08 -0.92 0.00 0.00 175.35 175.07 3adf s VAL 207 N 1.39 0.22 -0.15 3.17 1.01 -0.44 -1.37 120.40 124.23 3adf s VAL 207 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 3adf s VAL 207 Cb -0.13 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 3adf s VAL 207 CO -0.06 0.12 -0.02 -0.75 0.00 0.00 0.00 175.10 174.38 3adf s LYS 208 N 0.57 3.63 -0.02 2.72 2.20 0.26 0.49 119.74 129.59 3adf s LYS 208 Ca -0.06 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 3adf s LYS 208 Cb -0.09 -2.93 0.01 0.00 -1.51 0.00 0.00 37.83 33.31 3adf s LYS 208 CO -0.01 0.30 -0.06 -1.17 -0.36 0.00 0.00 175.35 174.05 3adf s LEU 209 N 0.22 1.69 -0.01 5.43 2.96 -0.65 -0.61 118.68 127.70 3adf s LEU 209 Ca -0.01 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 3adf s LEU 209 Cb -0.14 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 3adf s LEU 209 CO 0.02 0.02 -0.17 -0.47 -1.32 0.00 0.00 176.35 174.43 3adf s TYR 210 N 0.34 1.55 0.06 5.38 5.04 0.11 -2.03 117.35 127.80 3adf s TYR 210 Ca -0.04 -0.29 0.04 0.00 -2.44 0.00 0.00 57.07 54.34 3adf s TYR 210 Cb -0.09 -1.00 -0.03 0.00 0.35 0.00 0.00 41.96 41.20 3adf s TYR 210 CO 0.00 -0.03 -0.13 -2.00 -1.34 0.00 0.00 175.55 172.05 3adf s GLU 211 N -0.40 0.77 -0.11 4.97 2.12 -1.08 -0.72 118.70 124.26 3adf s GLU 211 Ca 0.07 -0.87 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 3adf s GLU 211 Cb -0.07 -0.74 0.05 0.00 0.26 0.00 0.00 34.13 33.63 3adf s GLU 211 CO -0.01 0.16 0.08 1.21 -0.54 0.00 0.00 175.26 176.17 3adf s ASN 212 N -1.58 1.66 -0.03 -1.70 3.84 -0.60 -2.75 114.94 113.79 3adf s ASN 212 Ca -0.03 -0.22 0.01 0.00 0.21 0.00 0.00 52.86 52.83 3adf s ASN 212 Cb -0.09 -0.14 0.01 0.00 -0.55 0.00 0.00 41.25 40.48 3adf s ASN 212 CO 0.02 -0.30 -0.04 0.00 -2.79 0.00 0.00 177.10 173.99 3adf s ALA 213 N 2.17 0.54 -0.07 1.71 0.00 -0.21 -1.74 121.76 124.16 3adf s ALA 213 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3adf s ALA 213 Cb -0.14 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.71 3adf s ALA 213 CO -0.06 0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.74 3adf s VAL 214 N 0.53 0.78 0.29 0.00 1.01 -0.80 -1.56 120.40 120.65 3adf s VAL 214 Ca -0.06 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 3adf s VAL 214 Cb -0.10 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 3adf s VAL 214 CO -0.00 0.29 0.82 0.00 0.00 0.00 0.00 175.10 176.21 3adf s ALA 215 N 1.15 3.30 0.00 5.51 0.00 0.10 -1.38 121.76 130.44 3adf s ALA 215 Ca -0.07 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3adf s ALA 215 Cb -0.14 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.02 3adf s ALA 215 CO -0.01 0.26 0.00 -2.13 0.00 0.00 0.00 175.76 173.88