#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pae n GLU 2 N 0.00 1.48 0.13 0.03 0.00 -1.26 -4.62 120.64 116.39 2pae n GLU 2 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 57.16 55.64 2pae n GLU 2 Cb 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.21 2pae n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2pae n ASN 3 N 0.58 -1.80 -0.05 -1.84 3.02 -1.26 -5.01 115.26 108.90 2pae n ASN 3 Ca 0.09 0.47 -0.12 0.00 -0.03 0.00 0.00 54.58 54.99 2pae n ASN 3 Cb 0.34 1.85 -0.06 0.00 -0.61 0.00 0.00 39.78 41.30 2pae n ASN 3 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2pae h LYS 4 N 0.00 0.29 -6.32 3.52 6.56 -1.87 -3.44 116.57 115.31 2pae h LYS 4 Ca 0.00 -0.09 -0.54 0.00 -1.06 0.00 0.00 60.65 58.96 2pae h LYS 4 Cb 0.00 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 31.60 2pae h LYS 4 CO 0.00 0.51 0.19 0.08 -2.06 0.00 0.00 179.45 178.17 2pae s VAL 5 N -4.98 4.73 0.00 0.50 1.01 -1.26 -0.54 120.40 119.86 2pae s VAL 5 Ca -0.14 1.70 0.08 0.00 0.00 0.00 0.00 61.98 63.62 2pae s VAL 5 Cb 0.06 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2pae s VAL 5 CO 0.72 0.34 -0.25 -0.63 0.00 0.00 0.00 175.10 175.28 2pae s ILE 6 N 0.07 2.20 -0.24 2.22 1.01 0.20 -4.29 121.20 122.37 2pae s ILE 6 Ca 0.40 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2pae s ILE 6 Cb -0.21 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.50 2pae s ILE 6 CO 0.24 0.49 -0.13 0.20 0.00 0.00 0.00 174.94 175.75 2pae s ASN 7 N -0.88 4.08 0.27 3.58 0.01 -1.26 0.12 114.94 120.85 2pae s ASN 7 Ca 0.11 -1.12 -0.12 0.00 -0.71 0.00 0.00 52.86 51.02 2pae s ASN 7 Cb -0.10 -1.55 -0.08 0.00 0.41 0.00 0.00 41.25 39.93 2pae s ASN 7 CO 0.01 -0.13 0.63 -0.36 -1.51 0.00 0.00 177.10 175.73 2pae s PHE 8 N 1.19 3.40 0.03 2.20 0.40 0.25 -4.98 117.98 120.47 2pae s PHE 8 Ca -0.04 1.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.99 2pae s PHE 8 Cb -0.18 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.93 2pae s PHE 8 CO -0.07 0.19 1.25 0.21 0.70 0.00 0.00 175.22 177.50 2pae s LYS 9 N -2.91 4.37 0.06 0.44 2.20 -1.26 -4.85 119.74 117.79 2pae s LYS 9 Ca 0.50 1.81 0.04 0.00 -0.36 0.00 0.00 55.97 57.96 2pae s LYS 9 Cb -0.11 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2pae s LYS 9 CO 0.20 -0.38 -0.01 0.21 -0.36 0.00 0.00 175.35 175.01 2pae s LYS 10 N 1.58 2.57 -0.19 4.03 2.20 -1.26 -4.32 119.74 124.35 2pae s LYS 10 Ca 0.59 -0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 55.40 2pae s LYS 10 Cb -0.29 -2.55 -0.00 0.00 -1.51 0.00 0.00 37.83 33.47 2pae s LYS 10 CO 0.27 0.56 -0.09 0.42 -0.36 0.00 0.00 175.35 176.15 2pae s ILE 11 N -1.22 3.06 -0.16 5.43 -1.09 -0.28 -4.96 121.20 121.97 2pae s ILE 11 Ca 0.23 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 2pae s ILE 11 Cb -0.12 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.42 2pae s ILE 11 CO 0.15 0.47 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.50 2pae s ILE 12 N 1.21 2.19 0.00 2.92 1.01 -1.26 -1.88 121.20 125.40 2pae s ILE 12 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2pae s ILE 12 Cb -0.14 -1.91 -0.00 0.00 0.01 0.00 0.00 42.46 40.42 2pae s ILE 12 CO -0.03 0.54 0.00 -0.90 0.00 0.00 0.00 174.94 174.54 2pae n ASP 13 N 4.33 0.63 0.31 3.58 5.68 -0.92 -5.02 116.55 125.14 2pae n ASP 13 Ca -0.20 -1.03 0.18 0.00 -0.50 0.00 0.00 54.79 53.24 2pae n ASP 13 Cb 0.51 0.02 1.01 0.00 -1.14 0.00 0.00 41.12 41.51 2pae n ASP 13 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2pae h SER 14 N 0.02 0.00 0.94 -1.12 4.64 -2.05 -2.94 113.55 113.04 2pae h SER 14 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2pae h SER 14 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2pae h SER 14 CO 0.01 0.02 -1.11 0.03 -0.87 0.00 0.00 176.83 174.90 2pae h ARG 15 N 0.00 0.00 0.00 4.77 3.08 -2.00 -3.51 114.38 116.73 2pae h ARG 15 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pae h ARG 15 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2pae h ARG 15 CO 0.00 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 2pae n GLY 16 N 1.28 0.06 3.28 0.04 0.00 -1.11 -5.13 105.19 103.61 2pae n GLY 16 Ca -0.04 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.76 2pae n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pae s SER 17 N -4.00 2.17 -0.07 1.61 0.01 -1.26 -2.16 113.70 110.00 2pae s SER 17 Ca 0.00 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.31 2pae s SER 17 Cb 0.00 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.18 2pae s SER 17 CO 0.00 -0.18 0.16 -0.22 0.41 0.00 0.00 173.24 173.41 2pae s LEU 18 N -2.83 0.88 0.09 2.44 0.20 -0.79 -4.96 118.68 113.70 2pae s LEU 18 Ca 0.14 0.34 0.10 0.00 0.69 0.00 0.00 54.13 55.40 2pae s LEU 18 Cb -0.02 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.17 2pae s LEU 18 CO 0.04 -0.12 -0.26 -0.69 -0.29 0.00 0.00 176.35 175.02 2pae s VAL 19 N 0.86 2.16 -0.03 1.68 1.01 -1.26 -1.12 120.40 123.69 2pae s VAL 19 Ca -0.06 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.35 2pae s VAL 19 Cb -0.08 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.44 2pae s VAL 19 CO -0.05 0.20 -0.02 0.00 0.00 0.00 0.00 175.10 175.24 2pae s ALA 20 N -0.95 0.41 -0.11 5.51 0.00 -1.26 -5.07 121.76 120.29 2pae s ALA 20 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.16 2pae s ALA 20 Cb -0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 2pae s ALA 20 CO 0.04 -0.02 -0.21 0.42 0.00 0.00 0.00 175.76 175.99 2pae s ILE 21 N 0.76 2.31 -0.14 0.00 1.01 -1.26 -4.83 121.20 119.05 2pae s ILE 21 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2pae s ILE 21 Cb -0.12 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2pae s ILE 21 CO -0.01 0.55 -0.11 -1.61 0.00 0.00 0.00 174.94 173.76 2pae s GLU 22 N 0.34 1.92 0.15 2.79 2.02 -1.26 -5.02 118.70 119.64 2pae s GLU 22 Ca -0.17 -0.46 -0.34 0.00 0.02 0.00 0.00 54.97 54.03 2pae s GLU 22 Cb -0.17 -1.92 -0.16 0.00 0.10 0.00 0.00 34.13 31.98 2pae s GLU 22 CO 0.08 -0.27 1.22 -0.85 0.02 0.00 0.00 175.26 175.46 2pae n GLU 23 N 4.84 1.18 -2.82 1.61 0.28 -1.26 -1.61 120.64 122.85 2pae n GLU 23 Ca -0.15 0.42 -0.20 0.00 -0.16 0.00 0.00 57.16 57.07 2pae n GLU 23 Cb 0.50 -1.97 0.01 0.00 1.43 0.00 0.00 31.44 31.41 2pae n GLU 23 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pae n ASN 24 N 2.18 -5.31 0.00 -1.84 5.03 0.15 -4.76 115.26 110.72 2pae n ASN 24 Ca 0.16 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2pae n ASN 24 Cb 0.23 -4.37 0.00 0.00 -1.02 0.00 0.00 39.78 34.62 2pae n ASN 24 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2pae n LYS 25 N -3.52 0.00 -0.02 3.52 5.02 -0.63 -4.85 118.16 117.67 2pae n LYS 25 Ca -0.14 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.28 2pae n LYS 25 Cb 0.62 0.00 0.46 0.00 -0.02 0.00 0.00 35.03 36.10 2pae n LYS 25 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2pae n ASN 26 N -1.01 1.64 -3.77 4.39 6.94 -0.70 -4.72 115.26 118.02 2pae n ASN 26 Ca 0.00 -1.58 -0.14 0.00 -0.02 0.00 0.00 54.58 52.83 2pae n ASN 26 Cb 0.00 -0.03 -0.15 0.00 -2.36 0.00 0.00 39.78 37.23 2pae n ASN 26 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2pae s ILE 27 N -1.94 -0.05 -0.58 1.53 -4.36 -1.25 -4.96 121.20 109.59 2pae s ILE 27 Ca 0.36 0.19 0.09 0.00 -0.26 0.00 0.00 60.65 61.04 2pae s ILE 27 Cb 0.20 -0.12 0.09 0.00 1.25 0.00 0.00 42.46 43.88 2pae s ILE 27 CO 0.31 0.08 1.26 -0.81 0.24 0.00 0.00 174.94 176.02 2pae n PRO 28 N 4.10 0.06 -4.37 0.37 -0.04 -1.26 0.34 135.00 134.20 2pae n PRO 28 Ca -0.26 0.54 -0.28 0.00 -0.04 0.00 0.00 63.50 63.46 2pae n PRO 28 Cb 0.51 -1.74 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 2pae n PRO 28 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2pae n PHE 29 N -1.81 0.86 -3.21 0.54 1.16 -1.26 -4.66 117.46 109.07 2pae n PHE 29 Ca -0.01 -2.29 -0.39 0.00 -1.87 0.00 0.00 57.45 52.90 2pae n PHE 29 Cb 0.05 -0.24 -0.06 0.00 -1.61 0.00 0.00 39.48 37.63 2pae n PHE 29 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2pae s SER 30 N -3.47 6.73 -0.08 5.98 0.01 -1.26 -0.39 113.70 121.22 2pae s SER 30 Ca 0.04 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 2pae s SER 30 Cb 0.00 -2.33 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2pae s SER 30 CO 0.03 -0.10 1.10 -0.63 0.41 0.00 0.00 173.24 174.06 2pae s ILE 31 N 1.02 4.52 -0.04 1.44 1.01 -1.26 -4.09 121.20 123.80 2pae s ILE 31 Ca 0.29 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.76 2pae s ILE 31 Cb -0.16 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2pae s ILE 31 CO 0.12 -0.00 -0.04 0.29 0.00 0.00 0.00 174.94 175.31 2pae n LYS 32 N 5.14 0.10 -4.20 2.79 5.02 0.52 -4.99 118.16 122.54 2pae n LYS 32 Ca 0.10 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 2pae n LYS 32 Cb 0.47 -1.07 -0.11 0.00 -0.02 0.00 0.00 35.03 34.30 2pae n LYS 32 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2pae s ARG 33 N -2.08 0.92 -0.22 1.97 3.52 -0.95 -4.82 118.95 117.29 2pae s ARG 33 Ca -0.06 -1.18 -0.04 0.00 -0.13 0.00 0.00 55.73 54.32 2pae s ARG 33 Cb 0.01 -0.71 0.09 0.00 -1.56 0.00 0.00 34.95 32.78 2pae s ARG 33 CO 0.09 0.13 0.15 0.08 -0.81 0.00 0.00 175.30 174.94 2pae s VAL 34 N -2.24 -0.16 0.43 7.11 1.01 -1.26 -1.43 120.40 123.86 2pae s VAL 34 Ca 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.74 2pae s VAL 34 Cb -0.04 -0.76 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 2pae s VAL 34 CO 0.01 -0.42 0.03 -0.72 0.00 0.00 0.00 175.10 174.00 2pae s TYR 35 N 2.18 2.41 -0.04 5.22 -0.85 -0.59 -4.93 117.35 120.76 2pae s TYR 35 Ca 0.06 -0.71 -0.16 0.00 -0.52 0.00 0.00 57.07 55.74 2pae s TYR 35 Cb -0.16 -1.77 0.03 0.00 0.38 0.00 0.00 41.96 40.44 2pae s TYR 35 CO -0.20 0.38 0.36 1.52 -1.52 0.00 0.00 175.55 176.08 2pae s TYR 36 N -2.73 -0.28 -0.17 -3.49 -0.85 -1.26 -0.73 117.35 107.85 2pae s TYR 36 Ca 0.31 0.50 -0.05 0.00 -0.52 0.00 0.00 57.07 57.32 2pae s TYR 36 Cb 0.08 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 2pae s TYR 36 CO 0.16 -0.37 -0.01 0.42 -1.52 0.00 0.00 175.55 174.23 2pae s ILE 37 N -1.00 4.11 0.28 -3.49 1.09 -0.22 -4.97 121.20 117.00 2pae s ILE 37 Ca -0.11 -0.27 -0.12 0.00 -1.10 0.00 0.00 60.65 59.05 2pae s ILE 37 Cb -0.04 -2.83 0.01 0.00 -1.06 0.00 0.00 42.46 38.54 2pae s ILE 37 CO 0.04 0.47 0.53 0.72 -0.10 0.00 0.00 174.94 176.60 2pae s PHE 38 N 0.49 0.40 -1.34 3.97 -0.12 -1.26 -0.94 117.98 119.17 2pae s PHE 38 Ca -0.01 -0.78 -0.03 0.00 -0.05 0.00 0.00 56.93 56.06 2pae s PHE 38 Cb -0.14 0.26 -0.00 0.00 -0.63 0.00 0.00 43.02 42.51 2pae s PHE 38 CO 0.02 -1.10 0.55 -0.25 -0.05 0.00 0.00 175.22 174.39 2pae n ASP 39 N -0.66 -1.19 -4.85 1.98 8.00 -1.26 -4.95 116.55 113.62 2pae n ASP 39 Ca -0.02 -0.95 -0.32 0.00 0.71 0.00 0.00 54.79 54.21 2pae n ASP 39 Cb 0.61 -3.40 -0.01 0.00 -0.02 0.00 0.00 41.12 38.30 2pae n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2pae s THR 40 N -3.81 4.58 0.29 -3.53 -4.23 -1.26 -5.10 115.64 102.57 2pae s THR 40 Ca 0.06 1.04 -0.21 0.00 -1.18 0.00 0.00 61.69 61.40 2pae s THR 40 Cb -0.02 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.07 2pae s THR 40 CO 0.86 -0.90 0.72 -1.59 -0.54 0.00 0.00 174.62 173.18 2pae s LYS 41 N -4.61 1.82 0.00 3.99 -2.85 -1.26 -4.84 119.74 111.99 2pae s LYS 41 Ca 0.57 -1.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 2pae s LYS 41 Cb -0.11 0.61 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 2pae s LYS 41 CO 0.43 -0.83 0.00 0.41 0.10 0.00 0.00 175.35 175.45 2pae n GLY 42 N -0.46 -1.34 0.90 0.59 0.00 -1.26 -4.75 105.19 98.86 2pae n GLY 42 Ca -0.04 -1.59 0.03 0.00 0.00 0.00 0.00 46.02 44.42 2pae n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pae n GLU 43 N -1.59 2.19 -4.19 1.61 1.02 -1.26 -4.96 120.64 113.47 2pae n GLU 43 Ca 0.00 -2.98 -0.34 0.00 -0.02 0.00 0.00 57.16 53.82 2pae n GLU 43 Cb 0.00 -1.78 -0.14 0.00 -0.02 0.00 0.00 31.44 29.50 2pae n GLU 43 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2pae s GLU 44 N -3.04 3.38 0.98 3.49 8.01 -1.26 -5.08 118.70 125.19 2pae s GLU 44 Ca 0.42 -0.64 -0.16 0.00 0.01 0.00 0.00 54.97 54.59 2pae s GLU 44 Cb 0.36 -2.88 0.25 0.00 -4.31 0.00 0.00 34.13 27.56 2pae s GLU 44 CO 0.04 -0.05 0.65 -0.35 0.01 0.00 0.00 175.26 175.55 2pae n PRO 45 N 4.35 -3.62 -4.22 0.39 -0.04 -1.26 -5.05 135.00 125.55 2pae n PRO 45 Ca -0.18 -1.08 -0.12 0.00 -0.04 0.00 0.00 63.50 62.08 2pae n PRO 45 Cb 0.51 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 2pae n PRO 45 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pae s ARG 46 N -4.53 1.03 1.28 0.54 3.52 -0.99 -5.02 118.95 114.78 2pae s ARG 46 Ca 0.48 -1.48 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 2pae s ARG 46 Cb -0.07 -0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.12 2pae s ARG 46 CO 0.39 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.17 2pae n GLY 47 N -0.18 1.01 3.18 8.12 0.00 -1.26 -0.66 105.19 115.40 2pae n GLY 47 Ca -0.08 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 2pae n GLY 47 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pae n PHE 48 N 2.19 -2.77 0.00 1.61 3.72 1.00 -4.91 117.46 118.30 2pae n PHE 48 Ca 0.00 1.03 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 2pae n PHE 48 Cb 0.00 -3.99 0.00 0.00 -0.94 0.00 0.00 39.48 34.55 2pae n PHE 48 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2pae n ASN 49 N -2.16 0.00 -4.18 4.37 0.23 -0.80 -4.70 115.26 108.02 2pae n ASN 49 Ca -0.04 0.00 -0.11 0.00 -0.53 0.00 0.00 54.58 53.90 2pae n ASN 49 Cb 0.54 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.14 2pae n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pae s ALA 50 N -2.00 1.00 0.18 -2.53 0.00 -0.54 -0.15 121.76 117.72 2pae s ALA 50 Ca 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.58 2pae s ALA 50 Cb 0.00 0.59 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2pae s ALA 50 CO 0.00 -0.38 -0.17 -1.01 0.00 0.00 0.00 175.76 174.20 2pae s HIS 51 N -3.84 1.76 -0.13 0.00 3.76 -1.26 -0.07 115.29 115.51 2pae s HIS 51 Ca 0.20 -0.51 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 2pae s HIS 51 Cb 0.07 -0.85 -0.24 0.00 1.11 0.00 0.00 32.58 32.67 2pae s HIS 51 CO 0.00 0.34 0.33 1.63 -0.85 0.00 0.00 174.74 176.20 2pae n LYS 52 N 0.02 0.69 0.00 1.40 5.02 -1.11 0.94 118.16 125.12 2pae n LYS 52 Ca -0.11 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 2pae n LYS 52 Cb 0.58 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 2pae n LYS 52 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pae n LYS 53 N -3.18 2.41 -1.96 1.97 4.76 -1.26 -4.58 118.16 116.32 2pae n LYS 53 Ca -0.29 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.73 2pae n LYS 53 Cb 1.06 -0.82 -0.03 0.00 -1.84 0.00 0.00 35.03 33.40 2pae n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2pae s LEU 54 N -2.51 4.36 -0.06 -0.35 2.96 -1.26 -4.80 118.68 117.01 2pae s LEU 54 Ca 0.00 2.43 -0.00 0.00 -0.22 0.00 0.00 54.13 56.34 2pae s LEU 54 Cb 0.00 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2pae s LEU 54 CO 0.00 -0.87 -0.01 -1.61 -1.32 0.00 0.00 176.35 172.54 2pae s GLU 55 N 2.70 2.88 0.14 1.98 2.02 -1.26 -4.00 118.70 123.16 2pae s GLU 55 Ca 0.73 -0.50 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 2pae s GLU 55 Cb -0.39 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.12 2pae s GLU 55 CO 0.32 0.67 0.26 -0.65 0.02 0.00 0.00 175.26 175.88 2pae s GLN 56 N -1.09 1.07 -0.13 1.61 -0.21 -0.56 -1.90 119.66 118.45 2pae s GLN 56 Ca 0.15 -1.11 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 2pae s GLN 56 Cb -0.11 0.37 0.03 0.00 1.00 0.00 0.00 33.01 34.30 2pae s GLN 56 CO 0.05 -0.38 -0.05 0.08 -2.12 0.00 0.00 175.29 172.87 2pae s VAL 57 N -3.94 0.92 0.14 1.09 1.01 -0.80 0.14 120.40 118.96 2pae s VAL 57 Ca 0.14 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 2pae s VAL 57 Cb 0.04 -1.06 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 2pae s VAL 57 CO -0.03 0.21 0.42 -0.76 0.00 0.00 0.00 175.10 174.94 2pae s LEU 58 N 1.73 4.28 -0.14 3.92 1.02 0.11 -1.56 118.68 128.05 2pae s LEU 58 Ca 0.03 0.75 -0.06 0.00 0.02 0.00 0.00 54.13 54.86 2pae s LEU 58 Cb -0.14 -3.26 0.06 0.00 0.02 0.00 0.00 46.19 42.87 2pae s LEU 58 CO -0.08 0.08 0.30 -0.69 0.02 0.00 0.00 176.35 175.98 2pae s VAL 59 N -1.58 -0.21 -0.71 -1.59 1.01 0.32 -1.39 120.40 116.24 2pae s VAL 59 Ca 0.39 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 2pae s VAL 59 Cb -0.13 -0.48 0.08 0.00 0.00 0.00 0.00 36.38 35.86 2pae s VAL 59 CO 0.21 0.07 1.01 0.00 0.00 0.00 0.00 175.10 176.39 2pae h LEU 61 N 11.26 0.00 -7.00 0.00 3.38 -1.40 -3.15 115.31 118.41 2pae h LEU 61 Ca -0.21 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2pae h LEU 61 Cb 1.06 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.59 2pae h LEU 61 CO 1.18 0.00 0.45 0.21 0.09 0.00 0.00 178.44 180.37 2pae s ASN 62 N -4.82 -0.45 0.62 -0.43 2.47 -1.21 -4.75 114.94 106.37 2pae s ASN 62 Ca 0.04 0.54 0.00 0.00 0.42 0.00 0.00 52.86 53.86 2pae s ASN 62 Cb 0.09 0.44 0.00 0.00 -1.45 0.00 0.00 41.25 40.33 2pae s ASN 62 CO 0.47 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 174.08 2pae n GLY 63 N 0.97 0.19 3.35 1.21 0.00 -1.25 -2.07 105.19 107.58 2pae n GLY 63 Ca -0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 2pae n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pae s SER 64 N -4.00 0.06 -0.15 1.61 1.04 -1.26 -4.57 113.70 106.43 2pae s SER 64 Ca 0.00 -1.13 -0.28 0.00 0.48 0.00 0.00 55.95 55.02 2pae s SER 64 Cb 0.00 0.45 0.08 0.00 0.10 0.00 0.00 66.02 66.65 2pae s SER 64 CO 0.00 -0.94 0.77 0.00 0.98 0.00 0.00 173.24 174.05 2pae s ARG 66 N -0.56 3.78 -0.13 0.00 3.52 0.32 0.12 118.95 126.00 2pae s ARG 66 Ca -0.05 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 2pae s ARG 66 Cb -0.02 -3.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 2pae s ARG 66 CO 0.05 -0.07 -0.22 0.08 -0.81 0.00 0.00 175.30 174.32 2pae s VAL 67 N 1.33 2.04 -0.12 7.11 1.01 -0.61 0.21 120.40 131.36 2pae s VAL 67 Ca 0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 2pae s VAL 67 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2pae s VAL 67 CO 0.04 0.55 -0.00 -0.63 0.00 0.00 0.00 175.10 175.06 2pae s ILE 68 N 0.68 4.23 0.06 2.22 1.01 0.25 -1.70 121.20 127.96 2pae s ILE 68 Ca -0.10 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.33 2pae s ILE 68 Cb -0.16 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2pae s ILE 68 CO 0.01 0.54 -0.03 -0.76 0.00 0.00 0.00 174.94 174.71 2pae s LEU 69 N -0.26 3.36 -0.29 2.97 1.43 0.43 -1.87 118.68 124.45 2pae s LEU 69 Ca 0.06 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2pae s LEU 69 Cb -0.12 -2.04 0.17 0.00 0.03 0.00 0.00 46.19 44.22 2pae s LEU 69 CO 0.02 0.21 0.44 -0.62 0.23 0.00 0.00 176.35 176.63 2pae s ASP 70 N -2.00 0.08 -0.00 2.29 3.68 -0.42 -0.04 116.67 120.26 2pae s ASP 70 Ca 0.22 -0.29 0.00 0.00 2.13 0.00 0.00 52.55 54.61 2pae s ASP 70 Cb -0.11 1.25 0.01 0.00 -1.45 0.00 0.00 42.92 42.61 2pae s ASP 70 CO 0.14 -0.35 0.58 -0.90 0.13 0.00 0.00 175.17 174.77 2pae n ASP 71 N 5.36 0.95 0.00 -0.34 3.85 -1.18 -1.10 116.55 124.09 2pae n ASP 71 Ca 0.01 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 2pae n ASP 71 Cb 0.50 -0.44 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 2pae n ASP 71 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pae n GLY 72 N 0.07 2.21 0.00 6.12 0.00 -1.26 -4.67 105.19 107.67 2pae n GLY 72 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2pae n GLY 72 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pae n ASN 73 N 3.23 0.00 -4.77 1.61 4.05 -1.26 -4.89 115.26 113.23 2pae n ASN 73 Ca 0.00 0.61 -0.27 0.00 0.45 0.00 0.00 54.58 55.37 2pae n ASN 73 Cb 0.00 -0.16 -0.06 0.00 1.23 0.00 0.00 39.78 40.80 2pae n ASN 73 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2pae s ILE 74 N -1.49 4.36 -0.11 -1.44 1.01 -1.26 -5.12 121.20 117.16 2pae s ILE 74 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2pae s ILE 74 Cb 0.00 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2pae s ILE 74 CO 0.00 -0.09 -0.11 -0.63 0.00 0.00 0.00 174.94 174.11 2pae s ILE 75 N -1.71 3.26 -0.02 2.92 1.01 -1.26 -3.11 121.20 122.28 2pae s ILE 75 Ca 0.30 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.37 2pae s ILE 75 Cb -0.10 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 2pae s ILE 75 CO 0.22 0.54 -0.10 -1.10 0.00 0.00 0.00 174.94 174.51 2pae s GLN 76 N -0.00 0.94 -0.01 2.79 -0.21 0.94 -4.97 119.66 119.13 2pae s GLN 76 Ca -0.03 -0.33 0.07 0.00 0.02 0.00 0.00 55.36 55.09 2pae s GLN 76 Cb -0.14 -0.88 -0.02 0.00 1.00 0.00 0.00 33.01 32.96 2pae s GLN 76 CO 0.04 0.15 -0.23 -2.00 -2.12 0.00 0.00 175.29 171.12 2pae s GLU 77 N 0.05 2.13 -0.17 2.91 2.12 -1.26 0.16 118.70 124.65 2pae s GLU 77 Ca -0.01 -0.92 -0.12 0.00 0.36 0.00 0.00 54.97 54.29 2pae s GLU 77 Cb -0.07 -2.10 0.05 0.00 0.26 0.00 0.00 34.13 32.27 2pae s GLU 77 CO 0.00 0.56 0.42 -1.50 -0.54 0.00 0.00 175.26 174.20 2pae s ILE 78 N -0.68 -0.01 -0.38 -3.70 2.07 -0.69 -5.00 121.20 112.81 2pae s ILE 78 Ca 0.11 0.05 -0.21 0.00 -1.41 0.00 0.00 60.65 59.19 2pae s ILE 78 Cb -0.10 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 41.89 2pae s ILE 78 CO 0.00 0.02 0.65 -0.89 -1.91 0.00 0.00 174.94 172.81 2pae s THR 79 N 0.91 4.86 -0.08 4.00 2.01 -1.26 -1.57 115.64 124.51 2pae s THR 79 Ca -0.06 0.46 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 2pae s THR 79 Cb -0.06 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2pae s THR 79 CO -0.07 -0.41 0.82 -0.76 -0.69 0.00 0.00 174.62 173.51 2pae s LEU 80 N 2.78 4.29 0.00 4.42 1.43 0.33 -4.91 118.68 127.02 2pae s LEU 80 Ca 0.24 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2pae s LEU 80 Cb -0.14 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2pae s LEU 80 CO 0.16 -0.24 0.36 -0.90 0.23 0.00 0.00 176.35 175.96 2pae n ASP 81 N 4.25 0.00 -3.83 2.29 5.68 -1.26 -1.56 116.55 122.12 2pae n ASP 81 Ca 0.03 -1.12 -0.18 0.00 -0.50 0.00 0.00 54.79 53.01 2pae n ASP 81 Cb 0.50 -0.02 -0.16 0.00 -1.14 0.00 0.00 41.12 40.30 2pae n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2pae s SER 82 N -0.12 0.68 0.03 -1.12 0.15 -1.26 -4.85 113.70 107.21 2pae s SER 82 Ca 0.00 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.63 2pae s SER 82 Cb 0.00 -0.29 0.17 0.00 -1.71 0.00 0.00 66.02 64.19 2pae s SER 82 CO 0.00 -0.10 1.11 -2.65 1.20 0.00 0.00 173.24 172.80 2pae n PRO 83 N 4.24 0.01 0.00 5.44 -0.02 -1.19 -1.59 135.00 141.90 2pae n PRO 83 Ca -0.24 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 2pae n PRO 83 Cb 0.50 -1.54 0.40 0.00 -0.02 0.00 0.00 33.50 32.84 2pae n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pae n ALA 84 N -1.53 3.11 -2.96 3.55 0.00 -1.26 -4.82 120.51 116.60 2pae n ALA 84 Ca 0.00 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.75 2pae n ALA 84 Cb 0.02 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 2pae n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pae s VAL 85 N -2.68 4.41 0.09 0.00 1.01 -0.62 0.88 120.40 123.48 2pae s VAL 85 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.06 2pae s VAL 85 Cb 0.19 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2pae s VAL 85 CO 0.57 0.40 0.12 -0.83 0.00 0.00 0.00 175.10 175.36 2pae s GLY 86 N 1.05 2.01 -0.21 4.51 0.00 0.12 -4.41 107.32 110.38 2pae s GLY 86 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2pae s GLY 86 CO 0.03 -0.98 -0.05 -2.27 0.00 0.00 0.00 173.10 169.82 2pae s LEU 87 N -2.52 2.22 -0.13 0.66 2.96 -0.49 0.59 118.68 121.97 2pae s LEU 87 Ca 0.31 -1.00 -0.29 0.00 -0.22 0.00 0.00 54.13 52.92 2pae s LEU 87 Cb -0.12 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 2pae s LEU 87 CO 0.24 -0.22 1.04 -0.47 -1.32 0.00 0.00 176.35 175.62 2pae s TYR 88 N 1.48 3.43 -0.40 5.38 5.04 0.30 0.08 117.35 132.67 2pae s TYR 88 Ca -0.03 1.52 0.03 0.00 -2.44 0.00 0.00 57.07 56.15 2pae s TYR 88 Cb -0.18 -3.23 0.11 0.00 0.35 0.00 0.00 41.96 39.01 2pae s TYR 88 CO -0.07 -0.42 0.13 0.08 -1.34 0.00 0.00 175.55 173.94 2pae s VAL 89 N 2.31 2.50 0.82 3.14 1.01 0.36 -4.75 120.40 125.79 2pae s VAL 89 Ca 0.48 -2.60 -0.14 0.00 0.00 0.00 0.00 61.98 59.73 2pae s VAL 89 Cb -0.18 -2.79 0.20 0.00 0.00 0.00 0.00 36.38 33.60 2pae s VAL 89 CO 0.16 -0.67 0.95 0.61 0.00 0.00 0.00 175.10 176.15 2pae n GLY 90 N 3.96 -1.91 3.79 4.51 0.00 -1.26 -1.49 105.19 112.78 2pae n GLY 90 Ca 0.04 -1.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 2pae n GLY 90 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pae s PRO 91 N -5.11 3.50 -1.03 1.61 0.02 -1.26 -3.12 135.00 129.62 2pae s PRO 91 Ca 0.57 1.43 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2pae s PRO 91 Cb -0.03 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2pae s PRO 91 CO 0.41 -0.69 0.00 0.00 -0.33 0.00 0.00 177.00 176.39 2pae n ALA 92 N -1.35 -0.15 -3.34 -1.55 0.00 0.27 -4.97 120.51 109.42 2pae n ALA 92 Ca 0.10 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 2pae n ALA 92 Cb 0.52 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 2pae n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pae s VAL 93 N -2.33 3.66 0.34 0.00 1.01 -1.18 -4.64 120.40 117.25 2pae s VAL 93 Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 2pae s VAL 93 Cb 0.00 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 33.61 2pae s VAL 93 CO 0.00 0.40 0.98 0.86 0.00 0.00 0.00 175.10 177.34 2pae s TRP 94 N 1.44 3.58 0.06 5.22 -0.11 -0.26 -4.35 118.94 124.52 2pae s TRP 94 Ca 0.05 1.74 -0.09 0.00 1.22 0.00 0.00 56.10 59.03 2pae s TRP 94 Cb -0.14 -3.00 0.00 0.00 -1.50 0.00 0.00 33.47 28.83 2pae s TRP 94 CO -0.01 -0.04 0.19 -3.38 -4.62 0.00 0.00 176.95 169.09 2pae s HIS 95 N -1.60 0.10 -0.04 5.86 -3.43 0.78 -1.29 115.29 115.67 2pae s HIS 95 Ca 0.52 -0.41 -0.07 0.00 -0.80 0.00 0.00 55.06 54.30 2pae s HIS 95 Cb -0.20 -0.05 0.01 0.00 -1.43 0.00 0.00 32.58 30.91 2pae s HIS 95 CO 0.26 -0.47 0.16 -1.21 -2.00 0.00 0.00 174.74 171.48 2pae s GLU 96 N -3.09 0.30 -0.17 -0.38 2.02 -0.78 0.33 118.70 116.93 2pae s GLU 96 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.01 2pae s GLU 96 Cb 0.01 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.38 2pae s GLU 96 CO -0.07 -0.06 -0.16 -1.64 0.02 0.00 0.00 175.26 173.36 2pae s MET 97 N -0.40 3.15 0.34 1.61 -1.94 0.16 -0.58 119.30 121.65 2pae s MET 97 Ca -0.05 -0.77 0.04 0.00 -1.71 0.00 0.00 55.69 53.20 2pae s MET 97 Cb -0.03 -2.63 -0.06 0.00 2.01 0.00 0.00 34.83 34.12 2pae s MET 97 CO 0.01 -0.07 0.06 -1.01 -0.01 0.00 0.00 175.02 174.01 2pae s HIS 98 N 1.00 1.95 -0.96 -0.03 3.76 0.56 -2.34 115.29 119.24 2pae s HIS 98 Ca -0.02 -0.99 -0.25 0.00 -0.15 0.00 0.00 55.06 53.65 2pae s HIS 98 Cb -0.15 -1.29 0.03 0.00 1.11 0.00 0.00 32.58 32.29 2pae s HIS 98 CO -0.04 -0.02 0.55 -0.25 -0.85 0.00 0.00 174.74 174.14 2pae n ASP 99 N -0.79 -3.48 -4.69 1.40 8.00 -1.26 -0.52 116.55 115.21 2pae n ASP 99 Ca -0.03 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.00 2pae n ASP 99 Cb 0.66 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 2pae n ASP 99 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pae s PHE 100 N -3.62 3.11 0.88 1.24 0.40 -1.26 -4.08 117.98 114.64 2pae s PHE 100 Ca 0.35 1.06 -0.11 0.00 -0.60 0.00 0.00 56.93 57.63 2pae s PHE 100 Cb -0.19 -3.53 0.12 0.00 0.51 0.00 0.00 43.02 39.93 2pae s PHE 100 CO 0.80 -1.81 1.10 -1.54 0.70 0.00 0.00 175.22 174.48 2pae s SER 101 N 1.54 3.50 0.43 1.36 1.04 -0.03 -4.88 113.70 116.66 2pae s SER 101 Ca 0.60 1.82 0.11 0.00 0.48 0.00 0.00 55.95 58.96 2pae s SER 101 Cb -0.29 -2.43 0.98 0.00 0.10 0.00 0.00 66.02 64.39 2pae s SER 101 CO 0.25 -2.67 2.04 0.28 0.98 0.00 0.00 173.24 174.12 2pae h SER 102 N -1.57 0.37 -0.54 7.02 0.02 -1.92 -1.78 113.55 115.15 2pae h SER 102 Ca -0.46 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2pae h SER 102 Cb 1.26 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2pae h SER 102 CO 0.49 0.25 0.00 -0.90 -1.14 0.00 0.00 176.83 175.53 2pae n ASP 103 N -4.48 4.33 -4.77 3.07 3.85 -1.26 -4.52 116.55 112.78 2pae n ASP 103 Ca 0.05 -2.47 -0.39 0.00 -0.71 0.00 0.00 54.79 51.26 2pae n ASP 103 Cb 0.19 -0.56 -0.01 0.00 -1.35 0.00 0.00 41.12 39.39 2pae n ASP 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pae s VAL 105 N -1.27 -0.24 -0.17 0.00 1.01 -0.88 -4.02 120.40 114.83 2pae s VAL 105 Ca 0.56 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 2pae s VAL 105 Cb -0.37 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2pae s VAL 105 CO 0.48 -0.19 -0.05 -0.32 0.00 0.00 0.00 175.10 175.02 2pae s MET 106 N 2.26 3.55 0.15 2.72 1.75 -0.12 -0.98 119.30 128.62 2pae s MET 106 Ca 0.05 -0.58 0.06 0.00 -1.25 0.00 0.00 55.69 53.97 2pae s MET 106 Cb -0.15 -2.90 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 2pae s MET 106 CO -0.10 0.11 0.04 1.41 -0.65 0.00 0.00 175.02 175.83 2pae s MET 107 N 0.68 2.58 -0.05 4.11 0.00 0.20 -1.06 119.30 125.76 2pae s MET 107 Ca -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 55.69 54.67 2pae s MET 107 Cb -0.15 -2.48 0.03 0.00 0.00 0.00 0.00 34.83 32.23 2pae s MET 107 CO 0.02 0.48 0.08 0.08 0.00 0.00 0.00 175.02 175.68 2pae s VAL 108 N -1.64 -0.13 -0.15 10.11 1.01 0.09 -0.52 120.40 129.18 2pae s VAL 108 Ca 0.28 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 2pae s VAL 108 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2pae s VAL 108 CO 0.20 0.16 0.52 -0.76 0.00 0.00 0.00 175.10 175.22 2pae s LEU 109 N 2.03 4.22 0.07 3.92 1.02 -0.60 -1.54 118.68 127.80 2pae s LEU 109 Ca 0.03 0.79 0.07 0.00 0.02 0.00 0.00 54.13 55.03 2pae s LEU 109 Cb -0.12 -2.74 -0.03 0.00 0.02 0.00 0.00 46.19 43.32 2pae s LEU 109 CO -0.04 -0.09 -0.18 0.00 0.02 0.00 0.00 176.35 176.06 2pae s ALA 110 N 1.11 1.51 -0.14 4.21 0.00 -0.51 -1.90 121.76 126.04 2pae s ALA 110 Ca 0.26 -1.06 0.29 0.00 0.00 0.00 0.00 51.96 51.45 2pae s ALA 110 Cb -0.15 -0.21 0.89 0.00 0.00 0.00 0.00 23.12 23.64 2pae s ALA 110 CO 0.11 0.29 1.81 0.66 0.00 0.00 0.00 175.76 178.63 2pae h SER 111 N 4.46 0.00 -5.23 0.00 4.64 -1.53 0.16 113.55 116.06 2pae h SER 111 Ca -0.42 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 2pae h SER 111 Cb 1.18 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.17 2pae h SER 111 CO 0.41 0.01 -0.15 -0.62 -0.87 0.00 0.00 176.83 175.62 2pae s ASP 112 N -5.94 -0.09 0.97 4.97 -1.08 -1.26 -4.17 116.67 110.07 2pae s ASP 112 Ca 0.04 -0.85 -0.11 0.00 -0.52 0.00 0.00 52.55 51.11 2pae s ASP 112 Cb 0.07 0.55 0.17 0.00 -1.46 0.00 0.00 42.92 42.25 2pae s ASP 112 CO 0.60 -1.07 1.10 -1.22 0.52 0.00 0.00 175.17 175.11 2pae n TYR 113 N -0.34 0.39 -1.81 -5.34 0.53 -1.26 -4.39 117.16 104.94 2pae n TYR 113 Ca -0.04 0.29 -0.40 0.00 -1.02 0.00 0.00 57.90 56.73 2pae n TYR 113 Cb 0.62 -1.94 0.02 0.00 -1.03 0.00 0.00 39.34 37.01 2pae n TYR 113 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 2pae s TYR 114 N -2.59 2.48 -0.30 -0.72 5.04 -1.26 -4.99 117.35 115.02 2pae s TYR 114 Ca 0.67 1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 56.55 2pae s TYR 114 Cb -0.23 -3.91 0.19 0.00 0.35 0.00 0.00 41.96 38.36 2pae s TYR 114 CO 0.60 -2.89 0.72 0.34 -1.34 0.00 0.00 175.55 172.98 2pae s ASP 115 N -0.52 -1.20 0.38 4.32 2.15 -1.26 -5.04 116.67 115.50 2pae s ASP 115 Ca 0.61 0.48 0.11 0.00 0.43 0.00 0.00 52.55 54.18 2pae s ASP 115 Cb -0.43 1.90 0.90 0.00 -0.30 0.00 0.00 42.92 44.98 2pae s ASP 115 CO 0.56 -0.22 1.90 -0.33 -0.17 0.00 0.00 175.17 176.91 2pae h GLU 116 N 7.92 0.58 0.00 4.34 5.08 -1.99 -2.06 114.58 128.44 2pae h GLU 116 Ca -0.13 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2pae h GLU 116 Cb 1.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2pae h GLU 116 CO 0.13 0.38 0.00 2.41 -1.00 0.00 0.00 179.01 180.93 2pae n THR 117 N -4.52 1.25 0.10 1.13 -1.04 -1.26 -2.70 114.28 107.24 2pae n THR 117 Ca 0.15 0.34 0.09 0.00 -2.04 0.00 0.00 64.05 62.59 2pae n THR 117 Cb 0.46 -1.20 0.18 0.00 -1.82 0.00 0.00 70.33 67.95 2pae n THR 117 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2pae n ASP 118 N -1.64 3.10 -4.89 8.00 2.03 -0.78 -4.98 116.55 117.40 2pae n ASP 118 Ca 0.02 -1.90 -0.29 0.00 0.52 0.00 0.00 54.79 53.14 2pae n ASP 118 Cb 0.12 -0.23 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 2pae n ASP 118 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2pae s TYR 119 N -1.18 3.47 -0.33 -0.67 1.51 -1.10 -2.74 117.35 116.31 2pae s TYR 119 Ca 0.31 0.78 -0.01 0.00 -1.01 0.00 0.00 57.07 57.14 2pae s TYR 119 Cb 0.18 -2.22 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 2pae s TYR 119 CO 0.24 0.09 0.16 0.42 -1.11 0.00 0.00 175.55 175.35 2pae s ILE 120 N -2.16 0.50 -0.92 2.71 1.01 0.89 -4.95 121.20 118.29 2pae s ILE 120 Ca 0.46 -1.46 0.26 0.00 0.00 0.00 0.00 60.65 59.92 2pae s ILE 120 Cb -0.11 -1.38 0.07 0.00 0.01 0.00 0.00 42.46 41.06 2pae s ILE 120 CO 0.30 -0.80 1.52 0.54 0.00 0.00 0.00 174.94 176.49 2pae n ARG 121 N 4.58 0.07 -3.66 2.79 1.74 -1.26 -1.46 116.66 119.45 2pae n ARG 121 Ca 0.02 0.03 -0.38 0.00 -0.77 0.00 0.00 57.85 56.74 2pae n ARG 121 Cb 0.40 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.17 2pae n ARG 121 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2pae s GLN 122 N -3.04 3.62 0.00 5.56 -1.52 -1.26 -4.82 119.66 118.20 2pae s GLN 122 Ca 0.11 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 52.99 2pae s GLN 122 Cb 0.17 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.43 2pae s GLN 122 CO 0.67 -0.28 0.99 0.98 -0.25 0.00 0.00 175.29 177.40 2pae n TYR 123 N 4.99 0.00 -0.26 0.91 9.36 -1.26 -0.48 117.16 130.42 2pae n TYR 123 Ca -0.15 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.08 2pae n TYR 123 Cb 0.51 -0.49 0.04 0.00 -0.63 0.00 0.00 39.34 38.77 2pae n TYR 123 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2pae n ASP 124 N -2.64 -0.39 -0.32 2.98 8.00 -1.26 0.23 116.55 123.15 2pae n ASP 124 Ca 0.00 1.18 0.05 0.00 0.71 0.00 0.00 54.79 56.73 2pae n ASP 124 Cb 0.00 -0.29 0.24 0.00 -0.02 0.00 0.00 41.12 41.05 2pae n ASP 124 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2pae h ASN 125 N 0.00 0.91 -0.05 -2.24 2.35 -1.69 0.92 115.58 115.78 2pae h ASN 125 Ca 0.26 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2pae h ASN 125 Cb 0.43 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2pae h ASN 125 CO -0.68 0.57 0.03 0.15 -1.65 0.00 0.00 177.43 175.85 2pae h PHE 126 N 1.03 0.07 0.12 1.19 3.57 0.56 1.31 116.94 124.78 2pae h PHE 126 Ca 0.41 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.92 2pae h PHE 126 Cb 0.25 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2pae h PHE 126 CO -0.00 0.12 -0.24 0.87 -2.23 0.00 0.00 178.31 176.82 2pae h LYS 127 N -0.00 -0.43 -0.02 1.11 1.79 0.33 0.35 116.57 119.70 2pae h LYS 127 Ca 0.02 0.03 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 2pae h LYS 127 Cb 0.07 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 2pae h LYS 127 CO -0.00 -0.29 -0.20 0.87 -1.08 0.00 0.00 179.45 178.75 2pae h LYS 128 N -0.45 -0.30 -0.99 3.15 1.57 0.95 0.14 116.57 120.64 2pae h LYS 128 Ca 0.03 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.03 2pae h LYS 128 Cb 0.47 0.07 -0.19 0.00 0.08 0.00 0.00 32.23 32.66 2pae h LYS 128 CO -0.14 -0.20 -0.25 -0.92 -0.57 0.00 0.00 179.45 177.37 2pae h TYR 129 N -0.31 -0.53 0.15 -1.35 3.20 0.26 -0.58 116.97 117.81 2pae h TYR 129 Ca 0.06 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2pae h TYR 129 Cb 0.40 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2pae h TYR 129 CO -0.25 -0.43 -0.07 0.82 -1.64 0.00 0.00 178.16 176.59 2pae h ILE 130 N -0.00 0.00 -0.17 1.81 1.08 0.67 -2.93 117.51 117.97 2pae h ILE 130 Ca 0.48 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.95 2pae h ILE 130 Cb 0.72 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 2pae h ILE 130 CO -1.02 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 176.34 2pae n ALA 131 N -2.11 -0.11 -0.63 1.87 0.00 0.41 0.12 120.51 120.06 2pae n ALA 131 Ca -0.02 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2pae n ALA 131 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2pae n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pae n LYS 132 N -3.96 0.00 -0.05 0.00 5.02 -0.36 -1.80 118.16 117.02 2pae n LYS 132 Ca 0.00 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2pae n LYS 132 Cb 0.04 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2pae n LYS 132 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2pae n ILE 133 N -1.57 -0.06 -0.08 -0.18 5.41 0.32 0.22 119.36 123.42 2pae n ILE 133 Ca 0.00 0.30 -0.09 0.00 1.00 0.00 0.00 62.75 63.96 2pae n ILE 133 Cb 0.00 -0.40 -0.03 0.00 -0.71 0.00 0.00 39.64 38.50 2pae n ILE 133 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 2pae h ASN 134 N 0.00 -1.09 0.00 4.38 2.35 -0.90 -2.10 115.58 118.22 2pae h ASN 134 Ca 0.05 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2pae h ASN 134 Cb 0.08 0.49 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2pae h ASN 134 CO -0.13 -0.34 0.00 0.18 -1.65 0.00 0.00 177.43 175.49 2pae n LEU 135 N -5.41 0.00 0.00 1.61 4.77 0.61 -5.15 117.00 113.43 2pae n LEU 135 Ca -0.00 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2pae n LEU 135 Cb 0.34 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2pae n LEU 135 CO 0.09 -0.06 0.20 -0.62 -1.33 0.00 0.00 177.39 175.67