#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pae s ASN 3 N 0.00 2.41 -0.02 1.62 2.47 -1.26 -5.03 114.94 115.12 2pae s ASN 3 Ca 0.00 -0.47 0.19 0.00 0.42 0.00 0.00 52.86 53.00 2pae s ASN 3 Cb 0.00 -0.73 0.60 0.00 -1.45 0.00 0.00 41.25 39.67 2pae s ASN 3 CO 0.00 -0.19 1.50 0.29 -3.72 0.00 0.00 177.10 174.98 2pae n LYS 4 N 4.99 2.75 -3.12 0.43 5.02 -1.26 -4.94 118.16 122.02 2pae n LYS 4 Ca -0.10 -2.42 -0.37 0.00 -2.02 0.00 0.00 58.31 53.39 2pae n LYS 4 Cb 0.49 -1.59 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 2pae n LYS 4 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pae s VAL 5 N -1.29 4.58 -0.16 -0.18 1.01 -1.26 -0.36 120.40 122.74 2pae s VAL 5 Ca 0.45 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.75 2pae s VAL 5 Cb 0.25 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.75 2pae s VAL 5 CO 0.28 0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 175.03 2pae s ILE 6 N -1.36 1.12 -0.49 2.22 1.01 -0.65 -4.94 121.20 118.11 2pae s ILE 6 Ca 0.38 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 60.25 2pae s ILE 6 Cb -0.18 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.06 2pae s ILE 6 CO 0.22 0.17 0.61 0.20 0.00 0.00 0.00 174.94 176.14 2pae s ASN 7 N 1.63 6.24 0.55 3.58 0.01 -1.26 0.13 114.94 125.82 2pae s ASN 7 Ca 0.01 -0.79 -0.17 0.00 -0.71 0.00 0.00 52.86 51.20 2pae s ASN 7 Cb -0.15 -2.29 -0.06 0.00 0.41 0.00 0.00 41.25 39.16 2pae s ASN 7 CO -0.08 -0.85 1.05 -0.36 -1.51 0.00 0.00 177.10 175.35 2pae s PHE 8 N 2.63 3.02 -0.05 2.20 0.40 0.31 -4.99 117.98 121.51 2pae s PHE 8 Ca 0.16 1.53 -0.30 0.00 -0.60 0.00 0.00 56.93 57.72 2pae s PHE 8 Cb -0.18 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 2pae s PHE 8 CO 0.13 -0.96 1.27 0.21 0.70 0.00 0.00 175.22 176.57 2pae s LYS 9 N -3.77 4.32 -0.08 0.44 2.20 -1.26 -4.87 119.74 116.72 2pae s LYS 9 Ca 0.65 1.76 -0.03 0.00 -0.36 0.00 0.00 55.97 57.99 2pae s LYS 9 Cb -0.16 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 2pae s LYS 9 CO 0.30 -0.51 0.06 0.21 -0.36 0.00 0.00 175.35 175.06 2pae s LYS 10 N 2.38 3.13 -0.15 4.03 2.20 -1.26 -4.32 119.74 125.74 2pae s LYS 10 Ca 0.58 -0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.81 2pae s LYS 10 Cb -0.27 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2pae s LYS 10 CO 0.23 0.71 -0.05 0.42 -0.36 0.00 0.00 175.35 176.30 2pae s ILE 11 N -1.00 3.79 0.01 5.43 -1.09 -0.63 -4.97 121.20 122.74 2pae s ILE 11 Ca 0.16 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 2pae s ILE 11 Cb -0.12 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.10 2pae s ILE 11 CO 0.06 0.50 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.48 2pae s ILE 12 N 0.28 1.25 0.26 2.92 1.01 -1.26 -2.34 121.20 123.32 2pae s ILE 12 Ca -0.04 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 2pae s ILE 12 Cb -0.14 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.29 2pae s ILE 12 CO 0.03 0.24 0.48 -0.90 0.00 0.00 0.00 174.94 174.79 2pae n ASP 13 N 2.38 -1.39 -0.04 3.58 5.68 -1.09 -5.04 116.55 120.63 2pae n ASP 13 Ca -0.16 -2.15 0.14 0.00 -0.50 0.00 0.00 54.79 52.13 2pae n ASP 13 Cb 0.54 2.37 0.56 0.00 -1.14 0.00 0.00 41.12 43.46 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 1.35 0.24 0.21 -1.12 4.64 -2.05 -2.96 113.55 113.86 2pae h SER 14 Ca -0.22 0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 60.93 2pae h SER 14 Cb 0.84 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2pae h SER 14 CO 0.28 0.14 -0.69 0.03 -0.87 0.00 0.00 176.83 175.72 2pae h ARG 15 N 0.27 0.43 0.00 4.77 3.08 -2.01 -3.50 114.38 117.42 2pae h ARG 15 Ca 0.26 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2pae h ARG 15 Cb 0.67 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2pae h ARG 15 CO -0.06 0.96 0.00 0.41 -1.07 0.00 0.00 179.97 180.22 2pae n GLY 16 N 0.48 -0.24 3.30 0.04 0.00 -1.12 -5.14 105.19 102.52 2pae n GLY 16 Ca -0.04 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 2.45 -0.11 1.61 0.01 -1.26 -2.67 113.70 109.72 2pae s SER 17 Ca 0.00 -0.86 -0.10 0.00 1.31 0.00 0.00 55.95 56.31 2pae s SER 17 Cb 0.00 -0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.14 2pae s SER 17 CO 0.00 -0.08 0.29 -0.22 0.41 0.00 0.00 173.24 173.64 2pae s LEU 18 N -2.64 0.80 -0.01 2.44 0.20 -0.99 -4.97 118.68 113.51 2pae s LEU 18 Ca 0.14 0.60 0.03 0.00 0.69 0.00 0.00 54.13 55.59 2pae s LEU 18 Cb -0.05 1.00 -0.01 0.00 -0.43 0.00 0.00 46.19 46.70 2pae s LEU 18 CO 0.05 -0.11 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.20 2pae s VAL 19 N 0.31 0.88 -0.05 1.68 1.01 -1.26 -1.60 120.40 121.36 2pae s VAL 19 Ca -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2pae s VAL 19 Cb -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2pae s VAL 19 CO -0.01 0.25 -0.15 0.00 0.00 0.00 0.00 175.10 175.19 2pae s ALA 20 N -0.24 1.40 -0.18 5.51 0.00 -1.26 -5.09 121.76 121.90 2pae s ALA 20 Ca 0.04 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2pae s ALA 20 Cb -0.05 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.60 2pae s ALA 20 CO -0.00 0.23 -0.20 0.42 0.00 0.00 0.00 175.76 176.21 2pae s ILE 21 N 0.17 2.11 -0.21 0.00 1.01 -1.26 -4.84 121.20 118.18 2pae s ILE 21 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 2pae s ILE 21 Cb -0.12 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2pae s ILE 21 CO 0.02 0.54 -0.06 -1.61 0.00 0.00 0.00 174.94 173.83 2pae s GLU 22 N 1.27 3.38 0.21 2.79 2.02 -1.26 -5.02 118.70 122.09 2pae s GLU 22 Ca 0.04 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 2pae s GLU 22 Cb -0.13 -2.95 -0.15 0.00 0.10 0.00 0.00 34.13 31.00 2pae s GLU 22 CO -0.12 -0.13 1.14 -0.85 0.02 0.00 0.00 175.26 175.32 2pae n GLU 23 N 4.58 1.29 -2.05 1.61 0.28 -1.26 0.46 120.64 125.55 2pae n GLU 23 Ca -0.18 0.46 -0.15 0.00 -0.16 0.00 0.00 57.16 57.12 2pae n GLU 23 Cb 0.51 -1.93 -0.03 0.00 1.43 0.00 0.00 31.44 31.42 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 1.83 -4.36 0.00 -1.84 3.02 0.14 -4.74 115.26 109.31 2pae n ASN 24 Ca 0.13 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 2pae n ASN 24 Cb 0.27 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 2pae n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pae n LYS 25 N -2.54 0.00 -0.42 3.52 5.02 0.17 -4.80 118.16 119.12 2pae n LYS 25 Ca -0.17 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.23 2pae n LYS 25 Cb 0.58 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.91 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 -1.64 4.06 -3.83 4.39 0.23 -0.87 -4.85 115.26 112.75 2pae n ASN 26 Ca 0.00 -2.13 -0.13 0.00 -0.53 0.00 0.00 54.58 51.79 2pae n ASN 26 Cb 0.00 -0.49 -0.14 0.00 -2.08 0.00 0.00 39.78 37.07 2pae n ASN 26 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2pae s ILE 27 N -1.24 -0.01 -2.00 1.53 -4.36 -1.23 -4.96 121.20 108.93 2pae s ILE 27 Ca 0.47 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 2pae s ILE 27 Cb 0.26 -0.08 0.00 0.00 1.25 0.00 0.00 42.46 43.89 2pae s ILE 27 CO 0.29 0.02 0.49 -0.81 0.24 0.00 0.00 174.94 175.17 2pae n PRO 28 N 3.35 0.49 -4.09 0.37 -0.04 -1.26 0.27 135.00 134.08 2pae n PRO 28 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 2pae n PRO 28 Cb 0.57 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.99 2pae n PRO 28 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2pae s PHE 29 N -2.00 1.02 -0.07 0.54 -0.12 -1.26 -4.77 117.98 111.32 2pae s PHE 29 Ca 0.00 -1.25 -0.16 0.00 -0.05 0.00 0.00 56.93 55.47 2pae s PHE 29 Cb 0.00 -0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.24 2pae s PHE 29 CO 0.00 -1.09 0.43 -1.12 -0.05 0.00 0.00 175.22 173.39 2pae s SER 30 N -3.21 6.72 -0.13 1.98 0.01 -1.26 -1.07 113.70 116.74 2pae s SER 30 Ca 0.30 0.86 -0.27 0.00 1.31 0.00 0.00 55.95 58.15 2pae s SER 30 Cb 0.00 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 2pae s SER 30 CO 0.19 0.16 0.89 -0.63 0.41 0.00 0.00 173.24 174.26 2pae s ILE 31 N -0.19 4.86 0.00 1.44 1.01 -1.26 -4.04 121.20 123.02 2pae s ILE 31 Ca 0.24 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.66 2pae s ILE 31 Cb -0.16 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2pae s ILE 31 CO 0.11 0.05 0.00 0.29 0.00 0.00 0.00 174.94 175.39 2pae n LYS 32 N 4.96 2.42 -3.64 2.79 5.02 -0.27 -5.01 118.16 124.44 2pae n LYS 32 Ca 0.05 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.19 2pae n LYS 32 Cb 0.49 -0.83 -0.07 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.65 0.87 -0.03 1.97 3.52 -1.14 -4.69 118.95 117.80 2pae s ARG 33 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2pae s ARG 33 Cb 0.00 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.82 2pae s ARG 33 CO 0.00 -0.26 0.01 0.08 -0.81 0.00 0.00 175.30 174.32 2pae s VAL 34 N -1.29 0.14 0.08 7.11 1.01 -1.26 -0.78 120.40 125.41 2pae s VAL 34 Ca -0.12 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 2pae s VAL 34 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2pae s VAL 34 CO 0.07 0.14 0.01 -0.72 0.00 0.00 0.00 175.10 174.59 2pae s TYR 35 N 1.05 0.64 -0.03 5.22 -0.85 0.10 -5.01 117.35 118.46 2pae s TYR 35 Ca -0.09 -1.12 -0.22 0.00 -0.52 0.00 0.00 57.07 55.11 2pae s TYR 35 Cb -0.13 -0.41 0.04 0.00 0.38 0.00 0.00 41.96 41.84 2pae s TYR 35 CO -0.02 -0.44 0.48 1.52 -1.52 0.00 0.00 175.55 175.58 2pae s TYR 36 N -3.97 -0.40 -0.13 -3.49 -0.85 -1.26 -0.32 117.35 106.93 2pae s TYR 36 Ca 0.13 0.67 -0.03 0.00 -0.52 0.00 0.00 57.07 57.33 2pae s TYR 36 Cb 0.08 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 2pae s TYR 36 CO -0.06 -0.49 -0.02 0.42 -1.52 0.00 0.00 175.55 173.88 2pae s ILE 37 N -1.24 4.04 0.25 -3.49 1.01 -0.49 -4.98 121.20 116.30 2pae s ILE 37 Ca -0.12 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 2pae s ILE 37 Cb -0.03 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.70 2pae s ILE 37 CO 0.07 0.53 0.53 0.72 0.00 0.00 0.00 174.94 176.79 2pae s PHE 38 N -0.09 0.21 -1.26 3.97 -0.12 -1.26 -2.05 117.98 117.38 2pae s PHE 38 Ca 0.03 -0.59 -0.07 0.00 -0.05 0.00 0.00 56.93 56.25 2pae s PHE 38 Cb -0.13 0.32 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 2pae s PHE 38 CO 0.02 -1.04 0.67 -0.25 -0.05 0.00 0.00 175.22 174.57 2pae n ASP 39 N -0.39 -2.54 -4.84 1.98 8.00 -1.26 -4.90 116.55 112.59 2pae n ASP 39 Ca -0.03 -0.92 -0.32 0.00 0.71 0.00 0.00 54.79 54.23 2pae n ASP 39 Cb 0.61 -3.68 -0.05 0.00 -0.02 0.00 0.00 41.12 37.98 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 -3.66 4.58 0.36 -3.53 -4.23 -1.26 -5.08 115.64 102.82 2pae s THR 40 Ca 0.17 1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 61.77 2pae s THR 40 Cb -0.06 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.13 2pae s THR 40 CO 0.84 -0.42 0.50 -1.59 -0.54 0.00 0.00 174.62 173.41 2pae s LYS 41 N -3.49 1.99 0.49 3.99 -2.85 -1.26 -4.85 119.74 113.76 2pae s LYS 41 Ca 0.57 -1.81 0.00 0.00 -1.00 0.00 0.00 55.97 53.73 2pae s LYS 41 Cb -0.10 0.45 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2pae s LYS 41 CO 0.22 -0.83 0.00 0.41 0.10 0.00 0.00 175.35 175.25 2pae n GLY 42 N -0.60 -1.94 0.08 0.59 0.00 -1.26 -4.61 105.19 97.45 2pae n GLY 42 Ca 0.01 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.81 2pae n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pae n GLU 43 N -2.32 1.39 -3.27 1.61 0.00 -1.26 -4.99 120.64 111.81 2pae n GLU 43 Ca 0.00 -2.37 -0.38 0.00 0.00 0.00 0.00 57.16 54.41 2pae n GLU 43 Cb 0.27 -1.39 -0.06 0.00 0.00 0.00 0.00 31.44 30.26 2pae n GLU 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2pae s GLU 44 N -2.51 4.29 0.00 3.44 2.12 -1.26 -4.99 118.70 119.78 2pae s GLU 44 Ca 0.27 0.58 0.00 0.00 0.36 0.00 0.00 54.97 56.18 2pae s GLU 44 Cb 0.23 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2pae s GLU 44 CO 0.03 0.29 0.00 -0.35 -0.54 0.00 0.00 175.26 174.69 2pae n PRO 45 N 3.11 0.43 -3.77 4.30 -0.04 -1.26 -4.97 135.00 132.79 2pae n PRO 45 Ca -0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.26 2pae n PRO 45 Cb 0.51 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.96 2pae n PRO 45 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2pae n ARG 46 N -0.86 0.78 0.00 0.54 1.85 0.93 -4.95 116.66 114.94 2pae n ARG 46 Ca 0.00 -2.49 0.00 0.00 -1.00 0.00 0.00 57.85 54.36 2pae n ARG 46 Cb 0.00 2.57 0.00 0.00 -1.05 0.00 0.00 32.46 33.98 2pae n ARG 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2pae n GLY 47 N -0.53 0.78 1.64 2.89 0.00 -1.26 0.12 105.19 108.82 2pae n GLY 47 Ca -0.02 -1.09 -0.04 0.00 0.00 0.00 0.00 46.02 44.87 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 4.81 -0.50 -3.89 1.61 3.72 0.59 -4.93 117.46 118.87 2pae n PHE 48 Ca 0.00 0.20 -0.03 0.00 -0.05 0.00 0.00 57.45 57.57 2pae n PHE 48 Cb 0.00 -2.74 0.02 0.00 -0.94 0.00 0.00 39.48 35.82 2pae n PHE 48 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2pae s ASN 49 N -3.24 0.01 0.08 4.37 2.20 -1.18 -4.72 114.94 112.46 2pae s ASN 49 Ca 0.03 -0.66 -0.17 0.00 -0.94 0.00 0.00 52.86 51.12 2pae s ASN 49 Cb -0.00 0.49 0.04 0.00 -2.00 0.00 0.00 41.25 39.77 2pae s ASN 49 CO 0.16 -0.97 0.41 0.00 -2.94 0.00 0.00 177.10 173.76 2pae s ALA 50 N -2.15 -0.98 0.37 3.54 0.00 -0.92 -1.11 121.76 120.50 2pae s ALA 50 Ca 0.22 0.17 0.08 0.00 0.00 0.00 0.00 51.96 52.43 2pae s ALA 50 Cb -0.03 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.53 2pae s ALA 50 CO 0.05 -0.54 0.06 -1.01 0.00 0.00 0.00 175.76 174.32 2pae s HIS 51 N -3.04 2.56 -0.23 0.00 3.76 -1.25 -0.73 115.29 116.35 2pae s HIS 51 Ca -0.02 -0.52 0.07 0.00 -0.15 0.00 0.00 55.06 54.44 2pae s HIS 51 Cb 0.00 -1.67 -0.19 0.00 1.11 0.00 0.00 32.58 31.84 2pae s HIS 51 CO -0.06 0.39 -0.13 1.63 -0.85 0.00 0.00 174.74 175.72 2pae n LYS 52 N -1.03 0.69 -0.04 1.40 5.02 -1.10 -0.69 118.16 122.41 2pae n LYS 52 Ca -0.03 0.10 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 2pae n LYS 52 Cb 0.64 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.10 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 -3.07 2.38 -1.77 1.97 5.02 -1.26 -4.55 118.16 116.88 2pae n LYS 53 Ca -0.40 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.48 2pae n LYS 53 Cb 1.02 -1.18 -0.02 0.00 -0.02 0.00 0.00 35.03 34.82 2pae n LYS 53 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pae s LEU 54 N -4.70 4.35 -0.12 -0.35 2.96 -1.26 -4.79 118.68 114.77 2pae s LEU 54 Ca -0.05 2.91 0.02 0.00 -0.22 0.00 0.00 54.13 56.79 2pae s LEU 54 Cb 0.02 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 2pae s LEU 54 CO 0.28 -0.93 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.57 2pae s GLU 55 N 0.10 3.15 0.18 1.98 2.02 -1.26 -3.33 118.70 121.55 2pae s GLU 55 Ca 0.67 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.79 2pae s GLU 55 Cb -0.48 -2.45 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 2pae s GLU 55 CO 0.42 0.14 0.23 -0.65 0.02 0.00 0.00 175.26 175.42 2pae s GLN 56 N 0.47 1.18 -0.06 1.61 -0.21 0.03 -1.63 119.66 121.06 2pae s GLN 56 Ca -0.14 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 53.90 2pae s GLN 56 Cb -0.17 0.34 0.02 0.00 1.00 0.00 0.00 33.01 34.20 2pae s GLN 56 CO 0.06 -0.42 -0.08 0.08 -2.12 0.00 0.00 175.29 172.81 2pae s VAL 57 N -4.04 0.82 -0.16 1.09 1.01 -0.48 0.39 120.40 119.03 2pae s VAL 57 Ca 0.25 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 2pae s VAL 57 Cb 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2pae s VAL 57 CO 0.05 0.29 0.05 -0.76 0.00 0.00 0.00 175.10 174.72 2pae s LEU 58 N 0.85 3.75 -0.05 3.92 1.43 0.40 -0.98 118.68 128.01 2pae s LEU 58 Ca -0.12 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2pae s LEU 58 Cb -0.15 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.17 2pae s LEU 58 CO 0.01 0.23 0.01 -0.69 0.23 0.00 0.00 176.35 176.14 2pae s VAL 59 N 0.04 0.27 -0.89 -1.59 1.01 0.32 -1.56 120.40 118.01 2pae s VAL 59 Ca 0.05 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 2pae s VAL 59 Cb -0.12 -0.42 0.10 0.00 0.00 0.00 0.00 36.38 35.93 2pae s VAL 59 CO 0.01 0.22 1.17 0.00 0.00 0.00 0.00 175.10 176.50 2pae n LEU 61 N 7.43 0.00 -3.60 0.00 4.77 -0.41 -3.13 117.00 122.06 2pae n LEU 61 Ca 0.19 0.40 -0.09 0.00 -0.03 0.00 0.00 56.01 56.49 2pae n LEU 61 Cb 0.49 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 2pae n LEU 61 CO 0.58 -0.13 0.82 0.21 -1.33 0.00 0.00 177.39 177.53 2pae s ASN 62 N -2.81 -0.35 0.98 -1.43 2.47 -1.14 -4.79 114.94 107.87 2pae s ASN 62 Ca 0.14 0.49 0.00 0.00 0.42 0.00 0.00 52.86 53.91 2pae s ASN 62 Cb 0.13 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.37 2pae s ASN 62 CO 0.34 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 174.08 2pae n GLY 63 N 1.19 1.40 3.56 1.21 0.00 -1.25 -1.78 105.19 109.52 2pae n GLY 63 Ca -0.10 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.35 -0.04 1.61 1.04 -1.26 -4.58 113.70 106.12 2pae s SER 64 Ca 0.00 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.14 2pae s SER 64 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2pae s SER 64 CO 0.00 -0.76 0.40 0.00 0.98 0.00 0.00 173.24 173.86 2pae s ARG 66 N -1.14 2.99 -0.09 0.00 3.52 0.36 -0.01 118.95 124.58 2pae s ARG 66 Ca -0.12 -0.97 0.01 0.00 -0.13 0.00 0.00 55.73 54.52 2pae s ARG 66 Cb -0.04 -3.74 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 2pae s ARG 66 CO 0.05 -0.63 -0.11 0.08 -0.81 0.00 0.00 175.30 173.87 2pae s VAL 67 N 1.59 3.27 -0.09 7.11 1.01 0.04 0.12 120.40 133.45 2pae s VAL 67 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2pae s VAL 67 Cb -0.19 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2pae s VAL 67 CO 0.07 0.56 -0.23 -0.63 0.00 0.00 0.00 175.10 174.88 2pae s ILE 68 N -0.31 2.19 -0.02 2.22 1.01 -0.98 0.14 121.20 125.44 2pae s ILE 68 Ca 0.03 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.76 2pae s ILE 68 Cb -0.13 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 2pae s ILE 68 CO 0.03 0.56 -0.21 -0.76 0.00 0.00 0.00 174.94 174.55 2pae s LEU 69 N 0.17 2.03 -0.27 2.97 1.43 0.19 -1.68 118.68 123.52 2pae s LEU 69 Ca -0.13 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2pae s LEU 69 Cb -0.16 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 45.04 2pae s LEU 69 CO 0.07 0.25 0.08 -0.62 0.23 0.00 0.00 176.35 176.36 2pae s ASP 70 N -0.40 3.68 0.00 2.29 3.68 -0.45 0.18 116.67 125.64 2pae s ASP 70 Ca 0.06 -1.37 0.23 0.00 2.13 0.00 0.00 52.55 53.60 2pae s ASP 70 Cb -0.09 -0.75 1.30 0.00 -1.45 0.00 0.00 42.92 41.93 2pae s ASP 70 CO -0.00 -0.38 1.76 -0.90 0.13 0.00 0.00 175.17 175.78 2pae n ASP 71 N 4.94 0.00 0.00 -0.34 3.85 -0.61 -1.82 116.55 122.58 2pae n ASP 71 Ca -0.05 -0.43 0.00 0.00 -0.71 0.00 0.00 54.79 53.60 2pae n ASP 71 Cb 0.43 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 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 0.55 2.82 0.36 6.12 0.00 -1.26 -4.75 105.19 109.03 2pae n GLY 72 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 1.51 -4.30 1.61 4.05 -1.26 -5.04 115.26 111.82 2pae n ASN 73 Ca 0.00 0.26 -0.26 0.00 0.45 0.00 0.00 54.58 55.03 2pae n ASN 73 Cb 0.00 -0.61 -0.13 0.00 1.23 0.00 0.00 39.78 40.27 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 -2.44 1.84 -0.16 -1.44 1.09 -1.26 -5.13 121.20 113.69 2pae s ILE 74 Ca -0.27 -1.53 -0.03 0.00 -1.10 0.00 0.00 60.65 57.72 2pae s ILE 74 Cb 0.09 -1.64 -0.02 0.00 -1.06 0.00 0.00 42.46 39.83 2pae s ILE 74 CO 0.35 0.03 -0.06 -0.63 -0.10 0.00 0.00 174.94 174.53 2pae s ILE 75 N -1.07 3.60 -0.10 2.92 1.01 -1.26 -1.57 121.20 124.75 2pae s ILE 75 Ca 0.08 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.29 2pae s ILE 75 Cb -0.10 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2pae s ILE 75 CO 0.04 0.49 -0.11 -1.10 0.00 0.00 0.00 174.94 174.26 2pae s GLN 76 N 0.55 1.77 -0.18 2.79 -0.21 0.47 -4.92 119.66 119.94 2pae s GLN 76 Ca -0.04 -0.39 -0.16 0.00 0.02 0.00 0.00 55.36 54.79 2pae s GLN 76 Cb -0.15 -1.62 -0.04 0.00 1.00 0.00 0.00 33.01 32.20 2pae s GLN 76 CO 0.03 -0.13 0.38 -2.00 -2.12 0.00 0.00 175.29 171.45 2pae s GLU 77 N 1.22 4.23 0.02 2.91 2.12 -1.26 -0.63 118.70 127.30 2pae s GLU 77 Ca -0.03 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.53 2pae s GLU 77 Cb -0.14 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 2pae s GLU 77 CO -0.03 0.07 -0.06 0.42 -0.54 0.00 0.00 175.26 175.11 2pae s ILE 78 N 0.97 0.45 -0.29 -3.70 1.09 0.36 -4.98 121.20 115.10 2pae s ILE 78 Ca 0.20 -0.62 -0.10 0.00 -1.10 0.00 0.00 60.65 59.03 2pae s ILE 78 Cb -0.14 -0.45 -0.02 0.00 -1.06 0.00 0.00 42.46 40.78 2pae s ILE 78 CO 0.07 -0.13 0.15 -0.89 -0.10 0.00 0.00 174.94 174.04 2pae s THR 79 N -0.72 4.72 -0.37 2.92 2.01 -1.26 -0.78 115.64 122.15 2pae s THR 79 Ca -0.04 -0.25 -0.20 0.00 0.31 0.00 0.00 61.69 61.51 2pae s THR 79 Cb -0.06 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.12 2pae s THR 79 CO 0.00 0.15 0.63 -0.76 -0.69 0.00 0.00 174.62 173.95 2pae s LEU 80 N 1.65 4.31 -0.01 4.42 1.43 0.99 -4.87 118.68 126.60 2pae s LEU 80 Ca 0.06 0.03 0.14 0.00 -1.03 0.00 0.00 54.13 53.33 2pae s LEU 80 Cb -0.16 -2.76 0.24 0.00 0.03 0.00 0.00 46.19 43.54 2pae s LEU 80 CO 0.07 -0.62 1.10 -0.90 0.23 0.00 0.00 176.35 176.22 2pae n ASP 81 N 6.07 0.61 -3.74 2.29 5.68 -1.26 -1.23 116.55 124.97 2pae n ASP 81 Ca -0.02 -2.08 -0.12 0.00 -0.50 0.00 0.00 54.79 52.08 2pae n ASP 81 Cb 0.48 -0.27 -0.12 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.62 -0.32 0.00 -1.12 0.15 -1.26 -4.89 113.70 104.65 2pae s SER 82 Ca 0.19 0.60 0.22 0.00 0.70 0.00 0.00 55.95 57.66 2pae s SER 82 Cb 0.22 0.52 1.16 0.00 -1.71 0.00 0.00 66.02 66.21 2pae s SER 82 CO -0.09 -0.15 1.71 -2.65 1.20 0.00 0.00 173.24 173.26 2pae n PRO 83 N 3.79 0.40 -0.16 5.44 -0.02 -1.18 -2.43 135.00 140.83 2pae n PRO 83 Ca -0.21 0.06 0.11 0.00 -2.02 0.00 0.00 63.50 61.45 2pae n PRO 83 Cb 0.55 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.22 2.45 -3.05 3.55 0.00 -1.26 -4.83 120.51 116.14 2pae n ALA 84 Ca 0.12 -0.84 -0.33 0.00 0.00 0.00 0.00 53.44 52.38 2pae n ALA 84 Cb 0.15 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.58 3.37 0.25 0.00 1.01 -1.02 0.11 120.40 122.54 2pae s VAL 85 Ca 0.36 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.88 2pae s VAL 85 Cb 0.21 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2pae s VAL 85 CO 0.29 0.51 0.12 -0.83 0.00 0.00 0.00 175.10 175.19 2pae s GLY 86 N 0.40 1.52 -0.09 4.51 0.00 0.35 -4.51 107.32 109.50 2pae s GLY 86 Ca -0.08 -1.48 -0.01 0.00 0.00 0.00 0.00 44.72 43.15 2pae s GLY 86 CO 0.04 -1.53 -0.04 -2.27 0.00 0.00 0.00 173.10 169.30 2pae s LEU 87 N -3.69 0.93 -0.31 0.66 2.96 -0.60 -1.64 118.68 116.99 2pae s LEU 87 Ca 0.32 -0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 53.91 2pae s LEU 87 Cb -0.08 -0.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 2pae s LEU 87 CO 0.23 -0.15 0.21 -0.47 -1.32 0.00 0.00 176.35 174.85 2pae s TYR 88 N 1.79 3.22 -0.69 5.38 5.04 0.51 -0.45 117.35 132.15 2pae s TYR 88 Ca 0.04 -0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.59 2pae s TYR 88 Cb -0.12 -2.42 0.18 0.00 0.35 0.00 0.00 41.96 39.94 2pae s TYR 88 CO -0.06 -0.25 0.54 0.08 -1.34 0.00 0.00 175.55 174.52 2pae s VAL 89 N 1.75 4.31 1.01 3.14 1.01 0.16 -4.80 120.40 126.97 2pae s VAL 89 Ca 0.07 -2.80 -0.16 0.00 0.00 0.00 0.00 61.98 59.09 2pae s VAL 89 Cb -0.17 -3.75 0.20 0.00 0.00 0.00 0.00 36.38 32.66 2pae s VAL 89 CO 0.11 -0.92 1.20 -0.83 0.00 0.00 0.00 175.10 174.66 2pae s GLY 90 N 1.16 1.66 0.52 4.51 0.00 -1.26 -0.79 107.32 113.12 2pae s GLY 90 Ca 0.17 -0.91 -0.22 0.00 0.00 0.00 0.00 44.72 43.76 2pae s GLY 90 CO -0.05 -0.18 1.34 -4.14 0.00 0.00 0.00 173.10 170.06 2pae s PRO 91 N -5.57 3.32 -1.02 2.90 0.02 -1.21 -2.09 135.00 131.35 2pae s PRO 91 Ca 0.70 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.90 2pae s PRO 91 Cb -0.09 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.09 2pae s PRO 91 CO 0.54 -1.03 0.00 0.00 -0.33 0.00 0.00 177.00 176.17 2pae n ALA 92 N -0.82 -0.22 -4.06 -1.55 0.00 0.13 -4.98 120.51 109.01 2pae n ALA 92 Ca 0.09 0.14 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2pae n ALA 92 Cb 0.45 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.44 2.18 0.55 0.00 1.01 -0.89 -4.63 120.40 116.18 2pae s VAL 93 Ca 0.00 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.74 2pae s VAL 93 Cb 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 2pae s VAL 93 CO 0.00 0.41 1.05 0.86 0.00 0.00 0.00 175.10 177.42 2pae s TRP 94 N 1.26 2.97 0.03 5.22 -0.11 -0.75 -4.38 118.94 123.18 2pae s TRP 94 Ca 0.02 1.54 -0.23 0.00 1.22 0.00 0.00 56.10 58.65 2pae s TRP 94 Cb -0.15 -3.05 0.05 0.00 -1.50 0.00 0.00 33.47 28.83 2pae s TRP 94 CO -0.11 -1.03 0.51 -3.38 -4.62 0.00 0.00 176.95 168.33 2pae s HIS 95 N -2.22 -0.42 -0.02 5.86 -3.43 -0.27 -1.34 115.29 113.45 2pae s HIS 95 Ca 0.66 0.52 -0.06 0.00 -0.80 0.00 0.00 55.06 55.37 2pae s HIS 95 Cb -0.17 0.32 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2pae s HIS 95 CO 0.29 -0.61 0.13 -1.21 -2.00 0.00 0.00 174.74 171.35 2pae s GLU 96 N -2.19 0.38 -0.09 -0.38 2.02 -0.68 0.22 118.70 117.98 2pae s GLU 96 Ca -0.07 -0.21 0.04 0.00 0.02 0.00 0.00 54.97 54.76 2pae s GLU 96 Cb -0.01 0.16 -0.00 0.00 0.10 0.00 0.00 34.13 34.38 2pae s GLU 96 CO 0.00 -0.08 -0.24 -1.64 0.02 0.00 0.00 175.26 173.32 2pae s MET 97 N -0.91 2.90 0.25 1.61 -1.94 0.32 -2.33 119.30 119.20 2pae s MET 97 Ca -0.10 -0.87 0.01 0.00 -1.71 0.00 0.00 55.69 53.02 2pae s MET 97 Cb -0.06 -2.25 -0.05 0.00 2.01 0.00 0.00 34.83 34.49 2pae s MET 97 CO 0.01 0.22 0.09 -1.01 -0.01 0.00 0.00 175.02 174.32 2pae s HIS 98 N 0.23 1.51 -1.16 -0.03 3.76 0.33 -0.05 115.29 119.88 2pae s HIS 98 Ca -0.15 -1.17 -0.28 0.00 -0.15 0.00 0.00 55.06 53.31 2pae s HIS 98 Cb -0.17 -0.88 0.02 0.00 1.11 0.00 0.00 32.58 32.67 2pae s HIS 98 CO 0.08 -0.33 0.72 -0.25 -0.85 0.00 0.00 174.74 174.11 2pae n ASP 99 N -0.45 -4.66 -4.73 1.40 8.00 -1.26 0.13 116.55 114.99 2pae n ASP 99 Ca -0.00 -1.17 -0.41 0.00 0.71 0.00 0.00 54.79 53.91 2pae n ASP 99 Cb 0.66 -2.30 -0.03 0.00 -0.02 0.00 0.00 41.12 39.42 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 -3.46 3.47 0.92 1.24 0.40 -1.26 -3.81 117.98 115.47 2pae s PHE 100 Ca 0.46 1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 58.10 2pae s PHE 100 Cb -0.22 -3.39 0.14 0.00 0.51 0.00 0.00 43.02 40.06 2pae s PHE 100 CO 0.93 -1.08 1.09 -1.54 0.70 0.00 0.00 175.22 175.32 2pae s SER 101 N 0.34 3.21 0.20 1.36 1.04 -0.38 -4.90 113.70 114.59 2pae s SER 101 Ca 0.54 1.61 -0.07 0.00 0.48 0.00 0.00 55.95 58.51 2pae s SER 101 Cb -0.31 -2.26 0.13 0.00 0.10 0.00 0.00 66.02 63.68 2pae s SER 101 CO 0.34 -2.82 1.63 0.77 0.98 0.00 0.00 173.24 174.14 2pae h SER 102 N -1.67 0.91 -0.35 7.02 4.64 -1.91 -2.56 113.55 119.63 2pae h SER 102 Ca -0.50 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2pae h SER 102 Cb 1.28 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2pae h SER 102 CO 0.52 1.05 0.00 -0.90 -0.87 0.00 0.00 176.83 176.63 2pae n ASP 103 N -4.14 2.90 -4.78 4.97 3.85 -1.26 -4.31 116.55 113.78 2pae n ASP 103 Ca 0.01 -2.27 -0.37 0.00 -0.71 0.00 0.00 54.79 51.45 2pae n ASP 103 Cb 0.40 -0.45 -0.02 0.00 -1.35 0.00 0.00 41.12 39.70 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 -1.60 0.37 -0.13 0.00 1.01 -0.73 -4.24 120.40 115.08 2pae s VAL 105 Ca 0.61 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2pae s VAL 105 Cb -0.25 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 2pae s VAL 105 CO 0.31 0.24 -0.16 -0.32 0.00 0.00 0.00 175.10 175.17 2pae s MET 106 N 1.97 3.28 -0.02 2.72 1.75 -0.87 -1.29 119.30 126.85 2pae s MET 106 Ca 0.05 -0.74 0.07 0.00 -1.25 0.00 0.00 55.69 53.81 2pae s MET 106 Cb -0.12 -2.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.98 2pae s MET 106 CO -0.05 0.18 -0.21 1.41 -0.65 0.00 0.00 175.02 175.70 2pae s MET 107 N 0.40 1.76 0.02 4.11 -2.45 0.37 -1.39 119.30 122.11 2pae s MET 107 Ca -0.12 -0.76 0.08 0.00 -1.25 0.00 0.00 55.69 53.63 2pae s MET 107 Cb -0.16 -1.69 -0.02 0.00 1.25 0.00 0.00 34.83 34.21 2pae s MET 107 CO 0.06 0.45 -0.25 0.08 1.05 0.00 0.00 175.02 176.42 2pae s VAL 108 N -0.48 1.98 -0.10 10.11 1.01 0.56 0.12 120.40 133.60 2pae s VAL 108 Ca 0.08 -1.21 0.03 0.00 0.00 0.00 0.00 61.98 60.88 2pae s VAL 108 Cb -0.08 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2pae s VAL 108 CO -0.01 0.43 -0.20 -0.76 0.00 0.00 0.00 175.10 174.56 2pae s LEU 109 N -0.92 2.33 0.08 3.92 1.02 -0.15 -0.72 118.68 124.23 2pae s LEU 109 Ca 0.10 -0.45 0.07 0.00 0.02 0.00 0.00 54.13 53.87 2pae s LEU 109 Cb -0.10 -1.48 -0.03 0.00 0.02 0.00 0.00 46.19 44.60 2pae s LEU 109 CO 0.01 0.19 -0.20 0.00 0.02 0.00 0.00 176.35 176.37 2pae s ALA 110 N 0.19 1.68 -0.23 4.21 0.00 0.04 -1.38 121.76 126.27 2pae s ALA 110 Ca -0.12 -1.13 0.28 0.00 0.00 0.00 0.00 51.96 50.99 2pae s ALA 110 Cb -0.16 -0.26 0.83 0.00 0.00 0.00 0.00 23.12 23.53 2pae s ALA 110 CO 0.07 0.34 1.78 0.66 0.00 0.00 0.00 175.76 178.61 2pae h SER 111 N 4.42 0.00 -5.18 0.00 4.64 -1.45 -0.66 113.55 115.33 2pae h SER 111 Ca -0.44 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 2pae h SER 111 Cb 1.17 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 2pae h SER 111 CO 0.41 0.00 -0.31 -0.62 -0.87 0.00 0.00 176.83 175.44 2pae s ASP 112 N -5.80 0.04 0.78 4.97 2.15 -1.26 -4.18 116.67 113.37 2pae s ASP 112 Ca 0.05 -0.68 -0.14 0.00 0.43 0.00 0.00 52.55 52.20 2pae s ASP 112 Cb 0.07 0.39 0.06 0.00 -0.30 0.00 0.00 42.92 43.15 2pae s ASP 112 CO 0.60 -0.81 1.23 -0.31 -0.17 0.00 0.00 175.17 175.71 2pae s TYR 113 N -3.89 1.84 0.15 -5.34 4.12 -1.26 -4.60 117.35 108.37 2pae s TYR 113 Ca 0.09 1.64 -0.34 0.00 0.02 0.00 0.00 57.07 58.47 2pae s TYR 113 Cb 0.04 -3.54 -0.14 0.00 -1.52 0.00 0.00 41.96 36.80 2pae s TYR 113 CO -0.07 -2.90 1.50 0.98 0.02 0.00 0.00 175.55 175.08 2pae n TYR 114 N -3.03 2.07 -3.37 2.71 9.36 -1.26 -4.97 117.16 118.66 2pae n TYR 114 Ca 0.14 0.38 -0.14 0.00 3.32 0.00 0.00 57.90 61.59 2pae n TYR 114 Cb 0.50 -2.48 -0.09 0.00 -0.63 0.00 0.00 39.34 36.64 2pae n TYR 114 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2pae s ASP 115 N 0.72 1.23 0.56 2.98 -1.08 -1.26 -5.02 116.67 114.80 2pae s ASP 115 Ca 0.79 -0.58 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 2pae s ASP 115 Cb -0.74 0.70 1.48 0.00 -1.46 0.00 0.00 42.92 42.90 2pae s ASP 115 CO 0.41 -0.37 2.02 -0.08 0.52 0.00 0.00 175.17 177.67 2pae h GLU 116 N 8.23 0.00 0.00 4.34 4.81 -1.99 -1.60 114.58 128.37 2pae h GLU 116 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2pae h GLU 116 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2pae h GLU 116 CO 0.31 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 178.84 2pae n THR 117 N -4.10 0.19 0.33 0.32 -2.24 -1.26 -2.92 114.28 104.60 2pae n THR 117 Ca 0.06 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 2pae n THR 117 Cb 0.51 -0.64 0.23 0.00 -2.10 0.00 0.00 70.33 68.33 2pae n THR 117 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2pae n ASP 118 N -1.27 3.42 -4.54 3.42 2.03 -0.60 -4.88 116.55 114.13 2pae n ASP 118 Ca 0.12 -1.99 -0.40 0.00 0.52 0.00 0.00 54.79 53.04 2pae n ASP 118 Cb 0.19 -0.26 -0.10 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.49 3.22 -0.48 -0.67 1.51 -1.15 -2.71 117.35 115.59 2pae s TYR 119 Ca 0.39 -0.13 -0.21 0.00 -1.01 0.00 0.00 57.07 56.11 2pae s TYR 119 Cb 0.23 -2.55 0.04 0.00 -0.11 0.00 0.00 41.96 39.57 2pae s TYR 119 CO 0.32 -0.38 0.69 0.42 -1.11 0.00 0.00 175.55 175.49 2pae s ILE 120 N 1.83 4.76 -2.42 2.71 1.01 0.09 -4.94 121.20 124.24 2pae s ILE 120 Ca 0.08 -0.04 0.25 0.00 0.00 0.00 0.00 60.65 60.94 2pae s ILE 120 Cb -0.17 -4.30 0.22 0.00 0.01 0.00 0.00 42.46 38.22 2pae s ILE 120 CO 0.11 -0.76 1.36 0.54 0.00 0.00 0.00 174.94 176.20 2pae n ARG 121 N 6.46 1.63 -3.96 2.79 1.74 -1.26 -2.18 116.66 121.88 2pae n ARG 121 Ca -0.02 -1.23 -0.34 0.00 -0.77 0.00 0.00 57.85 55.49 2pae n ARG 121 Cb 0.47 -1.47 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.22 2.47 0.23 5.56 1.11 -1.26 -4.87 119.66 120.68 2pae s GLN 122 Ca 0.27 -1.23 -0.13 0.00 0.01 0.00 0.00 55.36 54.28 2pae s GLN 122 Cb 0.20 -3.07 0.29 0.00 -1.01 0.00 0.00 33.01 29.41 2pae s GLN 122 CO 0.42 -0.56 1.60 -0.92 0.01 0.00 0.00 175.29 175.84 2pae h TYR 123 N 7.95 -0.51 -0.58 0.91 3.20 -1.92 0.71 116.97 126.72 2pae h TYR 123 Ca -0.23 0.07 0.12 0.00 3.14 0.00 0.00 58.73 61.83 2pae h TYR 123 Cb 1.07 0.34 -0.10 0.00 1.54 0.00 0.00 36.73 39.57 2pae h TYR 123 CO 0.61 -0.34 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.28 2pae h ASP 124 N -0.02 -0.39 -0.29 -2.11 5.19 -1.98 0.84 116.42 117.65 2pae h ASP 124 Ca 0.35 0.16 -0.10 0.00 -0.62 0.00 0.00 57.03 56.82 2pae h ASP 124 Cb 0.56 0.31 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 2pae h ASP 124 CO -0.78 -0.15 -0.16 0.78 -3.12 0.00 0.00 179.24 175.81 2pae h ASN 125 N 0.06 0.73 0.20 6.45 2.35 -0.56 0.33 115.58 125.14 2pae h ASN 125 Ca 0.29 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 2pae h ASN 125 Cb 0.46 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2pae h ASN 125 CO -0.55 0.90 -0.30 0.15 -1.65 0.00 0.00 177.43 175.98 2pae h PHE 126 N 0.66 -0.81 -0.45 1.19 3.57 0.37 0.27 116.94 121.72 2pae h PHE 126 Ca 0.10 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.70 2pae h PHE 126 Cb 0.64 0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.64 2pae h PHE 126 CO 0.03 -0.42 0.05 0.87 -2.23 0.00 0.00 178.31 176.61 2pae h LYS 127 N -0.57 0.17 0.08 1.11 1.79 0.11 -1.93 116.57 117.32 2pae h LYS 127 Ca 0.01 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2pae h LYS 127 Cb 0.56 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.14 2pae h LYS 127 CO -0.12 0.11 -0.28 0.87 -1.08 0.00 0.00 179.45 178.95 2pae h LYS 128 N 0.17 -0.45 -0.92 3.15 1.57 0.30 -2.02 116.57 118.37 2pae h LYS 128 Ca 0.22 0.03 0.26 0.00 -1.87 0.00 0.00 60.65 59.29 2pae h LYS 128 Cb 0.31 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 32.58 2pae h LYS 128 CO -0.33 -0.30 0.35 -0.92 -0.57 0.00 0.00 179.45 177.68 2pae h TYR 129 N -0.47 0.55 0.26 -1.35 3.20 0.20 -0.79 116.97 118.57 2pae h TYR 129 Ca 0.04 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2pae h TYR 129 Cb 0.51 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2pae h TYR 129 CO -0.27 -0.18 -0.18 0.82 -1.64 0.00 0.00 178.16 176.71 2pae h ILE 130 N 0.26 0.62 -0.22 1.81 1.08 -0.67 -1.71 117.51 118.68 2pae h ILE 130 Ca 0.61 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 65.13 2pae h ILE 130 Cb 1.27 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 35.56 2pae h ILE 130 CO -0.63 0.00 -0.37 0.00 -0.69 0.00 0.00 178.15 176.46 2pae h ALA 131 N 0.27 -0.41 -0.87 1.87 0.00 -0.67 0.69 119.26 120.14 2pae h ALA 131 Ca -0.02 0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.15 2pae h ALA 131 Cb 0.38 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2pae h ALA 131 CO 0.01 -0.83 0.60 1.57 0.00 0.00 0.00 179.25 180.60 2pae h LYS 132 N -0.39 0.19 -0.14 0.00 2.10 -1.25 0.82 116.57 117.91 2pae h LYS 132 Ca 0.11 -0.01 -0.20 0.00 -2.00 0.00 0.00 60.65 58.55 2pae h LYS 132 Cb 0.58 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2pae h LYS 132 CO -0.44 0.13 -0.70 0.82 -2.00 0.00 0.00 179.45 177.27 2pae h ILE 133 N 0.20 1.30 0.00 0.07 2.04 0.35 -2.34 117.51 119.13 2pae h ILE 133 Ca 0.44 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.37 2pae h ILE 133 Cb 1.40 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2pae h ILE 133 CO -0.09 0.60 0.00 0.78 0.00 0.00 0.00 178.15 179.44 2pae h ASN 134 N 0.42 0.00 -0.02 1.72 2.35 0.63 -3.51 115.58 117.16 2pae h ASN 134 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2pae h ASN 134 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 2pae h ASN 134 CO 0.14 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.10