#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s LYS 3 N 0.00 -1.98 0.00 -1.58 1.02 -1.26 -5.06 119.74 110.88 2wrl s LYS 3 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.90 2wrl s LYS 3 Cb 0.00 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.80 2wrl s LYS 3 CO 0.00 -4.21 0.00 0.28 -0.92 0.00 0.00 175.35 170.50 2wrl n VAL 4 N -5.11 0.00 -4.56 3.17 0.31 -1.26 -5.02 118.33 105.86 2wrl n VAL 4 Ca 0.14 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 2wrl n VAL 4 Cb 0.60 -1.20 -0.11 0.00 -0.91 0.00 0.00 33.84 32.22 2wrl n VAL 4 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2wrl s VAL 5 N 0.78 1.64 -0.30 2.52 -7.23 -1.26 -4.71 120.40 111.84 2wrl s VAL 5 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 2wrl s VAL 5 Cb 0.00 -2.87 0.18 0.00 0.56 0.00 0.00 36.38 34.25 2wrl s VAL 5 CO 0.00 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 175.86 2wrl s ALA 6 N -2.94 -4.02 -1.38 1.32 0.00 -1.26 -5.01 121.76 108.48 2wrl s ALA 6 Ca 0.34 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 2wrl s ALA 6 Cb 0.09 -2.80 0.09 0.00 0.00 0.00 0.00 23.12 20.51 2wrl s ALA 6 CO 0.16 -2.00 2.28 1.55 0.00 0.00 0.00 175.76 177.76 2wrl n VAL 7 N 5.16 4.55 -1.78 0.00 3.14 -1.26 -1.25 118.33 126.89 2wrl n VAL 7 Ca 0.07 -3.90 -0.41 0.00 -2.96 0.00 0.00 64.34 57.14 2wrl n VAL 7 Cb 0.57 -2.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.02 2wrl n VAL 7 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2wrl n VAL 8 N 3.02 2.11 -2.90 1.55 0.31 0.20 -4.79 118.33 117.82 2wrl n VAL 8 Ca 0.56 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 64.10 2wrl n VAL 8 Cb 0.30 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 2wrl n VAL 8 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wrl n LYS 9 N 0.35 3.46 0.00 5.55 5.02 -1.26 -1.46 118.16 129.81 2wrl n LYS 9 Ca 0.02 -4.84 0.00 0.00 -2.02 0.00 0.00 58.31 51.46 2wrl n LYS 9 Cb 0.39 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 2wrl n LYS 9 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wrl n LEU 10 N -0.24 0.00 -2.74 -0.35 4.77 -1.10 -4.94 117.00 112.42 2wrl n LEU 10 Ca 0.33 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.25 2wrl n LEU 10 Cb 0.38 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2wrl n LEU 10 CO 0.36 -1.15 0.25 1.67 -1.33 0.00 0.00 177.39 177.19 2wrl n GLN 11 N -1.31 0.56 -3.68 3.23 -0.06 -1.26 -4.14 117.38 110.72 2wrl n GLN 11 Ca 0.00 -1.61 -0.37 0.00 -2.00 0.00 0.00 57.00 53.02 2wrl n GLN 11 Cb 0.00 -1.17 -0.06 0.00 -4.06 0.00 0.00 30.24 24.95 2wrl n GLN 11 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2wrl s LEU 12 N 0.02 4.37 0.00 1.69 1.43 -1.26 -4.98 118.68 119.95 2wrl s LEU 12 Ca 0.30 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 2wrl s LEU 12 Cb 0.15 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 44.08 2wrl s LEU 12 CO -0.15 0.30 0.00 -2.65 0.23 0.00 0.00 176.35 174.08 2wrl n PRO 13 N 2.38 -0.49 -3.40 1.29 -0.02 -1.26 -2.54 135.00 130.96 2wrl n PRO 13 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 2wrl n PRO 13 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.92 2wrl n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrl s ALA 14 N -2.77 3.46 0.00 3.55 0.00 -1.24 -4.29 121.76 120.46 2wrl s ALA 14 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.29 2wrl s ALA 14 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2wrl s ALA 14 CO 0.00 -1.53 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2wrl n GLY 15 N 5.14 3.11 3.56 0.00 0.00 -1.26 -4.85 105.19 110.89 2wrl n GLY 15 Ca -0.10 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 2wrl n GLY 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrl s LYS 16 N 0.00 2.10 -0.60 1.61 2.20 -1.26 -4.86 119.74 118.92 2wrl s LYS 16 Ca 0.00 -0.18 0.04 0.00 -0.36 0.00 0.00 55.97 55.47 2wrl s LYS 16 Cb 0.00 -4.99 0.15 0.00 -1.51 0.00 0.00 37.83 31.48 2wrl s LYS 16 CO 0.00 -4.02 0.37 0.00 -0.36 0.00 0.00 175.35 171.34 2wrl s ALA 17 N 12.42 3.50 -0.08 3.13 0.00 -1.26 -4.65 121.76 134.83 2wrl s ALA 17 Ca 0.78 -3.52 0.03 0.00 0.00 0.00 0.00 51.96 49.25 2wrl s ALA 17 Cb -0.08 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2wrl s ALA 17 CO 0.06 -2.06 -0.17 0.95 0.00 0.00 0.00 175.76 174.54 2wrl s THR 18 N -0.83 2.73 -1.18 0.00 -4.23 -1.26 -4.83 115.64 106.03 2wrl s THR 18 Ca 0.21 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2wrl s THR 18 Cb -0.15 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2wrl s THR 18 CO -0.08 0.56 0.51 -0.81 -0.54 0.00 0.00 174.62 174.27 2wrl n PRO 19 N 2.93 0.00 -2.12 3.99 -0.04 -1.26 -4.64 135.00 133.86 2wrl n PRO 19 Ca -0.18 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 2wrl n PRO 19 Cb 0.52 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 2wrl n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wrl s ALA 20 N -2.03 3.56 0.81 0.55 0.00 -1.26 -3.39 121.76 120.00 2wrl s ALA 20 Ca 0.00 1.22 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 2wrl s ALA 20 Cb 0.00 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 2wrl s ALA 20 CO 0.00 -0.63 -0.49 -2.30 0.00 0.00 0.00 175.76 172.34 2wrl n PRO 21 N 2.11 0.00 0.00 0.00 -0.02 -1.26 -2.98 135.00 132.85 2wrl n PRO 21 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2wrl n PRO 21 Cb 0.42 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2wrl n PRO 21 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wrl n PRO 22 N 1.94 0.73 -0.38 0.52 -0.04 -1.26 -4.82 135.00 131.69 2wrl n PRO 22 Ca 0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 2wrl n PRO 22 Cb 0.53 -1.35 0.26 0.00 -0.04 0.00 0.00 33.50 32.90 2wrl n PRO 22 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wrl n VAL 23 N 0.18 1.08 0.01 0.52 0.31 -1.16 -3.97 118.33 115.30 2wrl n VAL 23 Ca 0.00 -0.81 -0.03 0.00 -0.01 0.00 0.00 64.34 63.49 2wrl n VAL 23 Cb 0.20 0.17 -0.01 0.00 -0.91 0.00 0.00 33.84 33.29 2wrl n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrl n GLY 24 N 1.12 -0.12 0.21 2.92 0.00 -1.22 -4.33 105.19 103.76 2wrl n GLY 24 Ca 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2wrl n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wrl h PRO 25 N -0.19 0.29 0.00 1.61 0.13 -1.91 -0.44 132.00 131.49 2wrl h PRO 25 Ca -0.03 -0.13 -0.19 0.00 -0.87 0.00 0.00 66.00 64.77 2wrl h PRO 25 Cb 0.43 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 2wrl h PRO 25 CO -0.02 0.63 -1.47 0.00 -0.23 0.00 0.00 178.00 176.91 2wrl n ALA 26 N -2.48 1.86 -1.23 -0.56 0.00 -1.25 -4.08 120.51 112.76 2wrl n ALA 26 Ca -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 53.44 52.82 2wrl n ALA 26 Cb 0.46 -0.93 0.23 0.00 0.00 0.00 0.00 19.45 19.21 2wrl n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrl n LEU 27 N -2.91 4.59 -0.00 0.00 4.32 -1.21 -4.20 117.00 117.59 2wrl n LEU 27 Ca -0.11 -3.45 0.10 0.00 -0.02 0.00 0.00 56.01 52.53 2wrl n LEU 27 Cb 0.88 -0.64 -0.12 0.00 -1.62 0.00 0.00 43.42 41.91 2wrl n LEU 27 CO 0.43 0.99 -0.16 0.61 -1.22 0.00 0.00 177.39 178.05 2wrl n GLY 28 N -0.81 -0.93 0.85 -0.72 0.00 -0.18 -3.79 105.19 99.61 2wrl n GLY 28 Ca 0.33 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2wrl n GLY 28 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wrl n GLN 29 N -1.60 2.37 -0.02 1.61 6.02 -1.26 -4.48 117.38 120.02 2wrl n GLN 29 Ca 0.03 -2.91 -0.03 0.00 -0.01 0.00 0.00 57.00 54.08 2wrl n GLN 29 Cb 0.35 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 29.81 2wrl n GLN 29 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2wrl n HIS 30 N -0.82 0.00 -1.38 1.08 8.25 -1.25 -4.51 115.22 116.59 2wrl n HIS 30 Ca 0.24 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.64 2wrl n HIS 30 Cb 0.90 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.84 2wrl n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 31 N 3.26 0.69 3.73 -1.41 0.00 -1.25 -4.19 105.19 106.03 2wrl n GLY 31 Ca -0.07 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2wrl n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl s ALA 32 N -2.24 3.82 -1.20 4.61 0.00 -1.26 -4.81 121.76 120.68 2wrl s ALA 32 Ca 0.00 1.51 -0.22 0.00 0.00 0.00 0.00 51.96 53.25 2wrl s ALA 32 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2wrl s ALA 32 CO 0.00 -0.89 1.89 1.21 0.00 0.00 0.00 175.76 177.96 2wrl s ASN 33 N 0.90 5.44 0.00 0.00 3.84 -1.26 -4.71 114.94 119.15 2wrl s ASN 33 Ca 0.69 -1.79 0.00 0.00 0.21 0.00 0.00 52.86 51.97 2wrl s ASN 33 Cb -0.47 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.64 2wrl s ASN 33 CO 0.37 -2.64 0.42 2.30 -2.79 0.00 0.00 177.10 174.77 2wrl n ILE 34 N 7.49 0.00 -0.28 -5.21 -5.35 -1.26 -1.03 119.36 113.72 2wrl n ILE 34 Ca 0.45 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.93 2wrl n ILE 34 Cb 0.47 -0.94 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 2wrl n ILE 34 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2wrl n MET 35 N -0.92 -0.12 -0.95 6.28 2.81 -1.26 -4.59 117.12 118.37 2wrl n MET 35 Ca 0.00 -0.54 -0.05 0.00 -1.81 0.00 0.00 57.70 55.30 2wrl n MET 35 Cb 0.00 -0.86 0.29 0.00 -0.71 0.00 0.00 33.22 31.94 2wrl n MET 35 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2wrl n GLU 36 N -0.07 3.63 -0.01 0.03 4.07 -0.20 -3.89 120.64 124.19 2wrl n GLU 36 Ca 0.00 -2.85 -0.03 0.00 -0.06 0.00 0.00 57.16 54.22 2wrl n GLU 36 Cb 0.12 -2.16 -0.01 0.00 -0.06 0.00 0.00 31.44 29.33 2wrl n GLU 36 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2wrl n PHE 37 N -0.06 0.00 0.59 4.31 7.35 -1.26 -3.76 117.46 124.64 2wrl n PHE 37 Ca 0.37 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 57.09 2wrl n PHE 37 Cb 1.31 -0.11 0.17 0.00 0.35 0.00 0.00 39.48 41.20 2wrl n PHE 37 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2wrl n VAL 38 N -2.92 0.00 0.00 -2.13 0.31 -1.25 0.33 118.33 112.67 2wrl n VAL 38 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2wrl n VAL 38 Cb 0.55 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 2wrl n VAL 38 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wrl n LYS 39 N -0.81 0.00 0.15 5.55 4.01 -1.26 -4.34 118.16 121.47 2wrl n LYS 39 Ca 0.04 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.85 2wrl n LYS 39 Cb 0.02 -0.57 0.22 0.00 -0.51 0.00 0.00 35.03 34.19 2wrl n LYS 39 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wrl h ALA 40 N 0.00 0.98 -0.21 7.82 0.00 -1.58 -3.06 119.26 123.21 2wrl h ALA 40 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wrl h ALA 40 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wrl h ALA 40 CO 0.00 0.67 0.00 0.34 0.00 0.00 0.00 179.25 180.26 2wrl n PHE 41 N -3.71 0.00 0.00 0.00 7.35 0.15 -3.89 117.46 117.36 2wrl n PHE 41 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 2wrl n PHE 41 Cb 0.58 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 40.02 2wrl n PHE 41 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2wrl n ASN 42 N -1.99 0.00 -0.09 -2.13 3.02 -1.24 0.19 115.26 113.02 2wrl n ASN 42 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 2wrl n ASN 42 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 2wrl n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wrl n ALA 43 N -0.56 1.19 0.03 5.41 0.00 -1.16 -2.79 120.51 122.64 2wrl n ALA 43 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 53.44 52.44 2wrl n ALA 43 Cb 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 2wrl n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl h ALA 44 N -0.15 0.47 -0.59 0.00 0.00 -0.37 -3.30 119.26 115.33 2wrl h ALA 44 Ca -0.53 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.25 2wrl h ALA 44 Cb 1.86 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2wrl h ALA 44 CO -0.09 1.34 0.00 0.25 0.00 0.00 0.00 179.25 180.75 2wrl n THR 45 N -3.27 2.64 0.77 0.00 -2.24 0.61 -3.82 114.28 108.98 2wrl n THR 45 Ca -0.09 -1.38 0.13 0.00 -2.27 0.00 0.00 64.05 60.44 2wrl n THR 45 Cb 1.00 -0.22 0.35 0.00 -2.10 0.00 0.00 70.33 69.36 2wrl n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrl n ALA 46 N 0.70 2.76 -0.01 6.98 0.00 -1.12 -2.56 120.51 127.26 2wrl n ALA 46 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 2wrl n ALA 46 Cb 1.16 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 2wrl n ALA 46 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2wrl h ASN 47 N 0.00 -0.07 0.00 0.00 -0.00 -1.79 -3.41 115.58 110.31 2wrl h ASN 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2wrl h ASN 47 Cb 0.64 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 2wrl h ASN 47 CO 0.00 0.38 0.00 0.23 -0.00 0.00 0.00 177.43 178.04 2wrl n MET 48 N -4.60 0.00 0.00 6.67 0.00 -1.24 -4.97 117.12 112.98 2wrl n MET 48 Ca -0.01 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.76 2wrl n MET 48 Cb 0.03 -0.90 0.00 0.00 0.00 0.00 0.00 33.22 32.36 2wrl n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wrl n GLY 49 N -0.47 3.17 0.00 3.03 0.00 -1.06 -5.06 105.19 104.81 2wrl n GLY 49 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2wrl n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wrl n ASP 50 N 0.00 0.00 -1.94 1.61 8.00 -1.26 -4.85 116.55 118.11 2wrl n ASP 50 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2wrl n ASP 50 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2wrl n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrl n ALA 51 N -3.00 -1.78 -1.22 2.24 0.00 -1.26 -4.63 120.51 110.86 2wrl n ALA 51 Ca 0.00 0.39 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 2wrl n ALA 51 Cb 0.00 -1.28 0.11 0.00 0.00 0.00 0.00 19.45 18.28 2wrl n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wrl s ILE 52 N -1.03 2.09 -0.29 0.00 1.01 -1.26 -3.70 121.20 118.02 2wrl s ILE 52 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2wrl s ILE 52 Cb 0.00 -2.54 0.10 0.00 0.01 0.00 0.00 42.46 40.02 2wrl s ILE 52 CO 0.00 -0.03 0.11 -0.69 0.00 0.00 0.00 174.94 174.33 2wrl s VAL 53 N -2.04 0.46 0.85 2.92 1.01 -1.05 -4.26 120.40 118.29 2wrl s VAL 53 Ca 0.74 -1.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2wrl s VAL 53 Cb -0.30 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2wrl s VAL 53 CO 0.48 -0.66 0.59 -2.65 0.00 0.00 0.00 175.10 172.86 2wrl n PRO 54 N 5.03 -0.00 -3.58 2.72 -0.02 -1.26 -4.21 135.00 133.67 2wrl n PRO 54 Ca -0.04 0.05 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 2wrl n PRO 54 Cb 0.42 -1.95 -0.07 0.00 -0.02 0.00 0.00 33.50 31.89 2wrl n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wrl s VAL 55 N -2.18 0.00 -0.31 -1.45 0.11 -1.26 -2.80 120.40 112.51 2wrl s VAL 55 Ca 0.63 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2wrl s VAL 55 Cb -0.27 -0.96 0.09 0.00 -1.53 0.00 0.00 36.38 33.71 2wrl s VAL 55 CO 0.61 -0.02 0.01 -0.70 -3.33 0.00 0.00 175.10 171.68 2wrl s GLU 56 N -0.56 1.56 -0.38 1.54 2.12 -0.58 -2.70 118.70 119.71 2wrl s GLU 56 Ca -0.07 -1.59 -0.18 0.00 0.36 0.00 0.00 54.97 53.49 2wrl s GLU 56 Cb -0.02 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.43 2wrl s GLU 56 CO 0.06 -0.83 0.52 0.42 -0.54 0.00 0.00 175.26 174.88 2wrl s ILE 57 N 1.07 5.00 -0.18 -3.70 1.09 -0.54 -2.22 121.20 121.73 2wrl s ILE 57 Ca 0.05 0.14 -0.05 0.00 -1.10 0.00 0.00 60.65 59.69 2wrl s ILE 57 Cb -0.19 -4.02 -0.03 0.00 -1.06 0.00 0.00 42.46 37.16 2wrl s ILE 57 CO -0.09 -0.33 0.01 -0.89 -0.10 0.00 0.00 174.94 173.54 2wrl s THR 58 N 2.41 4.20 0.35 2.92 2.01 0.23 -0.63 115.64 127.13 2wrl s THR 58 Ca 0.18 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.00 2wrl s THR 58 Cb -0.16 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 2wrl s THR 58 CO 0.14 0.46 0.49 -0.51 -0.69 0.00 0.00 174.62 174.51 2wrl s ILE 59 N 0.56 4.00 0.00 1.82 2.07 -0.38 -1.06 121.20 128.21 2wrl s ILE 59 Ca -0.00 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.27 2wrl s ILE 59 Cb -0.14 -3.39 0.00 0.00 0.13 0.00 0.00 42.46 39.06 2wrl s ILE 59 CO 0.02 -0.16 0.00 -1.22 -1.91 0.00 0.00 174.94 171.67 2wrl n TYR 60 N -1.68 0.00 -0.08 3.50 4.01 -0.86 -4.25 117.16 117.79 2wrl n TYR 60 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2wrl n TYR 60 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.58 2wrl n TYR 60 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wrl n ALA 61 N -3.00 0.71 0.00 -0.72 0.00 -1.26 -4.38 120.51 111.85 2wrl n ALA 61 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2wrl n ALA 61 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2wrl n ALA 61 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wrl n ASP 62 N -4.52 0.00 -1.21 0.00 5.75 -1.26 -4.69 116.55 110.62 2wrl n ASP 62 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.60 2wrl n ASP 62 Cb 0.43 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.53 2wrl n ASP 62 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2wrl n ARG 63 N -0.58 -1.84 -4.32 0.11 1.74 -1.26 -5.08 116.66 105.44 2wrl n ARG 63 Ca 0.00 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 57.02 2wrl n ARG 63 Cb 0.00 -3.28 -0.09 0.00 -1.02 0.00 0.00 32.46 28.08 2wrl n ARG 63 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wrl s SER 64 N -3.07 4.26 0.52 0.55 1.04 -1.26 -4.65 113.70 111.09 2wrl s SER 64 Ca 0.14 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2wrl s SER 64 Cb -0.06 -0.70 -0.00 0.00 0.10 0.00 0.00 66.02 65.35 2wrl s SER 64 CO 0.17 0.05 0.01 0.72 0.98 0.00 0.00 173.24 175.17 2wrl s PHE 65 N -2.06 1.77 0.13 5.02 -0.00 -1.26 -2.03 117.98 119.54 2wrl s PHE 65 Ca 0.28 -1.01 -0.24 0.00 -0.00 0.00 0.00 56.93 55.96 2wrl s PHE 65 Cb -0.07 -1.57 0.07 0.00 -0.00 0.00 0.00 43.02 41.45 2wrl s PHE 65 CO 0.17 0.18 0.66 -0.08 -0.00 0.00 0.00 175.22 176.15 2wrl s THR 66 N -2.91 0.00 -0.29 -4.49 -1.32 -0.22 -4.94 115.64 101.46 2wrl s THR 66 Ca 0.02 -0.04 -0.15 0.00 -1.21 0.00 0.00 61.69 60.31 2wrl s THR 66 Cb 0.00 -1.04 0.16 0.00 -1.51 0.00 0.00 72.50 70.11 2wrl s THR 66 CO 0.01 0.00 0.98 0.72 -2.21 0.00 0.00 174.62 174.12 2wrl s PHE 67 N -3.62 -0.63 -0.07 9.09 -0.71 -1.24 0.77 117.98 121.57 2wrl s PHE 67 Ca 0.02 1.16 0.02 0.00 -1.04 0.00 0.00 56.93 57.09 2wrl s PHE 67 Cb -0.01 0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 42.15 2wrl s PHE 67 CO -0.11 -0.31 -0.12 0.08 -1.34 0.00 0.00 175.22 173.41 2wrl s VAL 68 N 1.90 3.20 0.03 -2.49 1.01 -0.94 -4.86 120.40 118.25 2wrl s VAL 68 Ca -0.06 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2wrl s VAL 68 Cb -0.05 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2wrl s VAL 68 CO -0.16 0.58 0.01 0.42 0.00 0.00 0.00 175.10 175.95 2wrl s THR 69 N -0.50 4.19 0.00 3.92 -4.23 -1.26 -1.53 115.64 116.23 2wrl s THR 69 Ca 0.07 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2wrl s THR 69 Cb -0.12 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2wrl s THR 69 CO 0.02 0.28 0.00 0.29 -0.54 0.00 0.00 174.62 174.67 2wrl n LYS 70 N 1.06 1.27 -2.98 3.99 4.01 -1.12 -5.00 118.16 119.39 2wrl n LYS 70 Ca -0.13 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.41 2wrl n LYS 70 Cb 0.52 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.04 2wrl n LYS 70 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2wrl s THR 71 N 0.52 5.00 0.37 -0.18 -4.23 -1.26 -4.58 115.64 111.28 2wrl s THR 71 Ca 0.00 -0.09 -0.25 0.00 -1.18 0.00 0.00 61.69 60.17 2wrl s THR 71 Cb 0.00 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.89 2wrl s THR 71 CO 0.00 -0.71 1.08 -2.16 -0.54 0.00 0.00 174.62 172.29 2wrl s PRO 72 N -4.51 4.24 0.07 3.99 0.04 -1.26 -4.59 135.00 132.98 2wrl s PRO 72 Ca 0.44 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 2wrl s PRO 72 Cb -0.10 -2.70 -0.10 0.00 0.04 0.00 0.00 34.50 31.64 2wrl s PRO 72 CO 0.40 -0.10 0.43 -2.30 0.04 0.00 0.00 177.00 175.48 2wrl n PRO 73 N 0.22 0.00 0.00 0.56 -0.02 -1.26 -4.73 135.00 129.77 2wrl n PRO 73 Ca 0.04 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.53 2wrl n PRO 73 Cb 0.48 -0.69 0.05 0.00 -0.02 0.00 0.00 33.50 33.32 2wrl n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrl n ALA 74 N 0.35 1.11 1.28 3.55 0.00 -1.26 -0.21 120.51 125.33 2wrl n ALA 74 Ca 0.11 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.67 2wrl n ALA 74 Cb 0.10 -1.04 0.39 0.00 0.00 0.00 0.00 19.45 18.91 2wrl n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wrl n SER 75 N -1.50 1.19 -0.01 0.00 2.88 -1.26 -4.20 113.62 110.72 2wrl n SER 75 Ca 0.01 -1.06 -0.00 0.00 -1.33 0.00 0.00 58.87 56.49 2wrl n SER 75 Cb 0.03 0.12 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2wrl n SER 75 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 2wrl h TYR 76 N 1.54 0.00 -0.38 0.66 3.20 -0.89 -3.26 116.97 117.85 2wrl h TYR 76 Ca 0.00 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 2wrl h TYR 76 Cb 0.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2wrl h TYR 76 CO 0.00 0.00 0.56 1.37 -1.64 0.00 0.00 178.16 178.45 2wrl h LEU 77 N -0.22 0.00 0.00 2.82 -0.00 -1.78 0.49 115.31 116.62 2wrl h LEU 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2wrl h LEU 77 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2wrl h LEU 77 CO 0.00 0.00 -0.20 -0.29 -0.00 0.00 0.00 178.44 177.95 2wrl h ILE 78 N 0.00 0.00 0.06 0.15 2.10 -1.73 -2.84 117.51 115.24 2wrl h ILE 78 Ca 0.18 -0.68 -0.27 0.00 1.08 0.00 0.00 64.86 65.17 2wrl h ILE 78 Cb 1.30 1.56 -0.02 0.00 -1.09 0.00 0.00 36.82 38.58 2wrl h ILE 78 CO -0.00 0.00 -1.37 0.03 -1.08 0.00 0.00 178.15 175.72 2wrl h ARG 79 N 0.00 0.12 0.03 2.19 3.08 -0.04 -3.31 114.38 116.45 2wrl h ARG 79 Ca 0.00 -0.21 -0.23 0.00 0.07 0.00 0.00 59.98 59.61 2wrl h ARG 79 Cb 0.84 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2wrl h ARG 79 CO 0.00 0.96 -1.09 1.57 -1.07 0.00 0.00 179.97 180.34 2wrl h LYS 80 N 0.03 0.07 -1.93 0.04 2.10 -1.62 0.48 116.57 115.75 2wrl h LYS 80 Ca -0.17 -0.12 -0.21 0.00 -2.00 0.00 0.00 60.65 58.15 2wrl h LYS 80 Cb 1.93 0.05 -0.08 0.00 -0.90 0.00 0.00 32.23 33.23 2wrl h LYS 80 CO 0.14 1.05 -0.03 0.00 -2.00 0.00 0.00 179.45 178.61 2wrl n ALA 81 N -2.41 5.55 -0.15 0.07 0.00 -1.07 -2.93 120.51 119.58 2wrl n ALA 81 Ca -0.03 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2wrl n ALA 81 Cb 0.97 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2wrl n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl n ALA 82 N 1.63 0.04 -2.11 0.00 0.00 -1.25 -4.54 120.51 114.28 2wrl n ALA 82 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.61 2wrl n ALA 82 Cb 0.69 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 2wrl n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 83 N 0.00 0.08 3.99 0.00 0.00 -1.15 -4.55 105.19 103.56 2wrl n GLY 83 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2wrl n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrl s LEU 84 N -3.79 3.67 0.16 0.99 1.43 0.17 -5.03 118.68 116.29 2wrl s LEU 84 Ca 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2wrl s LEU 84 Cb 0.00 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2wrl s LEU 84 CO 0.00 -0.69 0.00 -0.62 0.23 0.00 0.00 176.35 175.27 2wrl n GLU 85 N -1.77 0.00 -3.69 1.70 1.02 -1.26 -4.25 120.64 112.39 2wrl n GLU 85 Ca 0.06 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 2wrl n GLU 85 Cb 0.59 -0.11 -0.03 0.00 -0.02 0.00 0.00 31.44 31.88 2wrl n GLU 85 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2wrl s LYS 86 N -2.00 2.81 0.00 3.49 0.00 -1.26 -4.99 119.74 117.78 2wrl s LYS 86 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 55.97 54.73 2wrl s LYS 86 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 37.83 35.27 2wrl s LYS 86 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 175.35 175.82 2wrl n GLY 87 N -1.46 -1.97 0.27 0.59 0.00 -1.26 -4.91 105.19 96.45 2wrl n GLY 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wrl n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl n ALA 88 N -3.00 1.45 0.00 4.61 0.00 -1.09 -4.82 120.51 117.66 2wrl n ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrl n ALA 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrl n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wrl n HIS 89 N 0.00 0.00 -3.89 0.00 8.25 -1.26 -4.35 115.22 113.96 2wrl n HIS 89 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 2wrl n HIS 89 Cb 0.45 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.43 2wrl n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2wrl s LYS 90 N 0.00 1.93 0.70 -0.41 1.02 -1.26 -5.09 119.74 116.63 2wrl s LYS 90 Ca 0.00 -2.64 -0.17 0.00 0.02 0.00 0.00 55.97 53.18 2wrl s LYS 90 Cb 0.00 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2wrl s LYS 90 CO 0.00 -1.15 0.57 -2.30 -0.92 0.00 0.00 175.35 171.54 2wrl n PRO 91 N 2.97 0.36 0.00 -1.68 -0.02 -1.26 -3.72 135.00 131.65 2wrl n PRO 91 Ca 0.09 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2wrl n PRO 91 Cb 0.33 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 2wrl n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrl n GLY 92 N 1.63 2.05 0.16 -1.23 0.00 -1.26 -4.64 105.19 101.89 2wrl n GLY 92 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2wrl n GLY 92 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wrl h ARG 93 N 0.00 0.00 -4.78 1.61 1.12 -1.98 -3.42 114.38 106.93 2wrl h ARG 93 Ca 0.00 0.00 -0.68 0.00 -1.11 0.00 0.00 59.98 58.19 2wrl h ARG 93 Cb 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 29.97 29.64 2wrl h ARG 93 CO 0.00 0.52 -0.69 -2.00 -3.11 0.00 0.00 179.97 174.68 2wrl s GLU 94 N -3.84 2.55 -0.15 0.20 2.12 -1.24 -5.09 118.70 113.25 2wrl s GLU 94 Ca -0.02 -1.19 -0.14 0.00 0.36 0.00 0.00 54.97 53.98 2wrl s GLU 94 Cb 0.13 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 2wrl s GLU 94 CO 0.75 -0.59 0.32 0.15 -0.54 0.00 0.00 175.26 175.35 2wrl s LYS 95 N 1.30 4.22 0.00 4.30 3.01 -1.26 -4.73 119.74 126.57 2wrl s LYS 95 Ca -0.04 0.15 0.02 0.00 -1.01 0.00 0.00 55.97 55.09 2wrl s LYS 95 Cb -0.19 -3.41 0.02 0.00 -1.01 0.00 0.00 37.83 33.24 2wrl s LYS 95 CO -0.01 0.27 0.60 0.28 0.51 0.00 0.00 175.35 177.00 2wrl n VAL 96 N 3.44 0.08 -0.57 3.17 0.31 -1.24 -5.07 118.33 118.45 2wrl n VAL 96 Ca -0.12 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2wrl n VAL 96 Cb 0.52 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 34.44 2wrl n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wrl n GLY 97 N 0.06 -1.20 3.56 2.92 0.00 -1.26 -4.89 105.19 104.37 2wrl n GLY 97 Ca 0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 2wrl n GLY 97 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wrl s ARG 98 N -1.65 0.90 -0.03 1.61 1.70 -1.26 -3.94 118.95 116.27 2wrl s ARG 98 Ca 0.00 -0.38 0.03 0.00 -0.47 0.00 0.00 55.73 54.91 2wrl s ARG 98 Cb 0.00 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 2wrl s ARG 98 CO 0.00 -0.40 -0.10 0.42 -1.08 0.00 0.00 175.30 174.14 2wrl s ILE 99 N -3.15 0.90 1.17 4.99 -1.09 -1.11 -4.62 121.20 118.30 2wrl s ILE 99 Ca 0.07 -0.41 -0.18 0.00 -2.23 0.00 0.00 60.65 57.90 2wrl s ILE 99 Cb -0.01 -0.81 0.27 0.00 -1.58 0.00 0.00 42.46 40.33 2wrl s ILE 99 CO -0.07 0.28 1.10 0.42 -1.23 0.00 0.00 174.94 175.45 2wrl s THR 100 N 0.28 1.67 -0.04 2.92 -4.23 -1.26 0.19 115.64 115.18 2wrl s THR 100 Ca -0.05 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.76 2wrl s THR 100 Cb -0.10 -2.48 0.32 0.00 1.34 0.00 0.00 72.50 71.57 2wrl s THR 100 CO 0.01 0.00 1.90 -0.50 -0.54 0.00 0.00 174.62 175.49 2wrl h TRP 101 N -2.47 0.00 0.00 3.99 4.06 -1.55 -2.87 115.95 117.11 2wrl h TRP 101 Ca -0.47 0.00 -0.39 0.00 2.06 0.00 0.00 58.89 60.09 2wrl h TRP 101 Cb 1.30 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.39 2wrl h TRP 101 CO -1.67 0.00 -2.46 -0.85 -3.56 0.00 0.00 178.44 169.90 2wrl n GLU 102 N -2.63 0.66 0.20 0.49 0.28 -1.26 -3.76 120.64 114.62 2wrl n GLU 102 Ca -0.00 0.14 0.14 0.00 -0.16 0.00 0.00 57.16 57.28 2wrl n GLU 102 Cb 0.17 -1.52 0.70 0.00 1.43 0.00 0.00 31.44 32.21 2wrl n GLU 102 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2wrl h GLN 103 N 0.00 0.00 0.05 3.44 4.20 -1.86 0.33 115.11 121.27 2wrl h GLN 103 Ca -0.57 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 57.81 2wrl h GLN 103 Cb 1.94 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.68 2wrl h GLN 103 CO -0.08 0.00 -1.85 1.55 -0.67 0.00 0.00 178.83 177.78 2wrl n VAL 104 N -2.48 1.67 1.38 -0.54 3.14 -1.10 -3.40 118.33 116.99 2wrl n VAL 104 Ca -0.01 -0.74 0.15 0.00 -2.96 0.00 0.00 64.34 60.78 2wrl n VAL 104 Cb 0.11 -1.30 0.71 0.00 -1.06 0.00 0.00 33.84 32.30 2wrl n VAL 104 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wrl n LEU 105 N -3.21 0.09 -0.04 6.55 0.00 0.07 -2.25 117.00 118.21 2wrl n LEU 105 Ca -0.24 0.25 -0.16 0.00 0.00 0.00 0.00 56.01 55.87 2wrl n LEU 105 Cb 1.05 -0.29 -0.14 0.00 0.00 0.00 0.00 43.42 44.05 2wrl n LEU 105 CO 0.44 0.02 -0.90 -1.84 0.00 0.00 0.00 177.39 175.10 2wrl n GLU 106 N -1.25 0.70 -0.02 1.96 0.28 0.94 -4.25 120.64 118.99 2wrl n GLU 106 Ca 0.13 0.21 -0.17 0.00 -0.16 0.00 0.00 57.16 57.17 2wrl n GLU 106 Cb 0.26 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.39 2wrl n GLU 106 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2wrl h ILE 107 N 0.03 1.29 0.00 3.84 2.04 -1.55 -2.94 117.51 120.21 2wrl h ILE 107 Ca -0.44 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2wrl h ILE 107 Cb 2.03 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 40.15 2wrl h ILE 107 CO 0.04 0.62 0.05 0.00 0.00 0.00 0.00 178.15 178.86 2wrl n ALA 108 N -2.60 0.92 0.06 1.87 0.00 -0.95 0.25 120.51 120.06 2wrl n ALA 108 Ca -0.08 0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.19 2wrl n ALA 108 Cb 0.74 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 2wrl n ALA 108 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wrl h LYS 109 N 0.00 0.37 0.00 0.00 1.57 -1.69 -2.44 116.57 114.37 2wrl h LYS 109 Ca 0.00 -0.63 -0.04 0.00 -1.87 0.00 0.00 60.65 58.12 2wrl h LYS 109 Cb 0.10 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2wrl h LYS 109 CO 0.00 1.28 -0.17 0.37 -0.57 0.00 0.00 179.45 180.37 2wrl h GLN 110 N 0.10 0.00 0.00 3.15 4.15 -0.23 -3.10 115.11 119.18 2wrl h GLN 110 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2wrl h GLN 110 Cb 2.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.78 2wrl h GLN 110 CO 0.17 0.17 -0.09 1.63 -1.93 0.00 0.00 178.83 178.78 2wrl n LYS 111 N -3.94 1.31 0.26 1.69 5.02 -1.05 -4.76 118.16 116.69 2wrl n LYS 111 Ca -0.02 -2.00 0.13 0.00 -2.02 0.00 0.00 58.31 54.41 2wrl n LYS 111 Cb 0.26 -1.18 0.70 0.00 -0.02 0.00 0.00 35.03 34.79 2wrl n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrl h MET 112 N 0.00 0.00 -1.09 1.97 -0.00 -1.35 -2.85 114.93 111.60 2wrl h MET 112 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.46 2wrl h MET 112 Cb 0.98 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 32.44 2wrl h MET 112 CO 0.00 0.12 0.30 -0.35 -0.00 0.00 0.00 176.91 176.98 2wrl n PRO 113 N -3.49 1.58 0.09 -0.10 -0.04 -1.26 -4.29 135.00 127.49 2wrl n PRO 113 Ca -0.01 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2wrl n PRO 113 Cb 0.27 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2wrl n PRO 113 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wrl n ASP 114 N -0.11 0.11 0.00 3.54 8.00 -1.08 -5.06 116.55 121.95 2wrl n ASP 114 Ca 0.26 0.30 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2wrl n ASP 114 Cb 0.94 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 2wrl n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wrl n LEU 115 N -3.26 0.00 0.00 0.64 4.77 -1.23 -4.99 117.00 112.92 2wrl n LEU 115 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wrl n LEU 115 Cb 0.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2wrl n LEU 115 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 2wrl n ASN 116 N 0.00 0.00 -4.72 -1.43 2.85 -1.26 -5.14 115.26 105.56 2wrl n ASN 116 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 2wrl n ASN 116 Cb 0.00 0.12 0.12 0.00 1.24 0.00 0.00 39.78 41.26 2wrl n ASN 116 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2wrl s THR 117 N -1.36 2.56 -0.29 -0.44 -4.23 -1.26 -4.95 115.64 105.66 2wrl s THR 117 Ca 0.00 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 60.79 2wrl s THR 117 Cb 0.00 -2.50 0.46 0.00 1.34 0.00 0.00 72.50 71.79 2wrl s THR 117 CO 0.00 -0.21 1.23 0.35 -0.54 0.00 0.00 174.62 175.45 2wrl n THR 118 N -3.60 2.53 -2.04 3.99 -2.24 -1.26 -4.95 114.28 106.71 2wrl n THR 118 Ca 0.11 -4.02 0.00 0.00 -2.27 0.00 0.00 64.05 57.87 2wrl n THR 118 Cb 0.52 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 2wrl n THR 118 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wrl n ASP 119 N -0.78 0.03 0.00 3.42 8.00 -1.26 -5.08 116.55 120.88 2wrl n ASP 119 Ca 0.41 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2wrl n ASP 119 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 2wrl n ASP 119 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wrl n LEU 120 N 0.00 0.00 0.24 0.64 4.77 -1.26 -4.33 117.00 117.06 2wrl n LEU 120 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2wrl n LEU 120 Cb 0.00 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 2wrl n LEU 120 CO 0.00 0.00 0.86 -0.33 -1.33 0.00 0.00 177.39 176.59 2wrl h GLU 121 N 0.00 0.00 0.00 3.23 3.07 -1.98 0.15 114.58 119.05 2wrl h GLU 121 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 2wrl h GLU 121 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 2wrl h GLU 121 CO 0.00 0.09 -2.09 0.00 -1.40 0.00 0.00 179.01 175.61 2wrl n ALA 122 N -2.14 1.09 0.04 3.43 0.00 -1.26 -4.19 120.51 117.48 2wrl n ALA 122 Ca 0.02 -1.00 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 2wrl n ALA 122 Cb 0.43 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2wrl n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrl h ALA 123 N -0.98 -0.27 -0.61 0.00 0.00 -1.75 -1.97 119.26 113.68 2wrl h ALA 123 Ca -0.51 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.56 2wrl h ALA 123 Cb 1.44 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2wrl h ALA 123 CO -0.31 -0.72 0.42 0.00 0.00 0.00 0.00 179.25 178.65 2wrl h ALA 124 N 0.55 2.33 -0.04 0.00 0.00 -0.94 0.72 119.26 121.88 2wrl h ALA 124 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wrl h ALA 124 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wrl h ALA 124 CO -0.24 -0.49 -0.29 0.00 0.00 0.00 0.00 179.25 178.23 2wrl h ARG 125 N 0.18 0.07 0.00 0.00 3.08 -1.52 0.65 114.38 116.83 2wrl h ARG 125 Ca 0.29 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 2wrl h ARG 125 Cb 0.91 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 2wrl h ARG 125 CO -0.05 0.35 -0.13 0.52 -1.07 0.00 0.00 179.97 179.59 2wrl h MET 126 N 0.06 0.00 0.07 0.04 2.86 -0.73 0.50 114.93 117.73 2wrl h MET 126 Ca 0.01 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.41 2wrl h MET 126 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2wrl h MET 126 CO 0.04 0.13 -1.26 0.82 1.06 0.00 0.00 176.91 177.70 2wrl h ILE 127 N 0.00 1.05 0.00 -1.22 1.08 -0.86 -3.09 117.51 114.47 2wrl h ILE 127 Ca -0.00 -2.32 -0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2wrl h ILE 127 Cb 0.52 2.63 -0.00 0.00 -3.07 0.00 0.00 36.82 36.90 2wrl h ILE 127 CO 0.02 0.59 -0.00 0.00 -0.69 0.00 0.00 178.15 178.07 2wrl h ALA 128 N -0.16 1.01 0.16 1.87 0.00 0.57 -1.42 119.26 121.28 2wrl h ALA 128 Ca -0.29 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 2wrl h ALA 128 Cb 1.57 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.38 2wrl h ALA 128 CO -0.02 0.01 -1.10 0.78 0.00 0.00 0.00 179.25 178.91 2wrl h GLY 129 N 0.98 0.53 0.69 0.00 0.00 -0.09 -3.08 103.07 102.10 2wrl h GLY 129 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 47.33 46.09 2wrl h GLY 129 CO 0.00 1.09 0.00 1.44 0.00 0.00 0.00 176.54 179.07 2wrl n SER 130 N -3.93 0.00 0.04 0.19 7.64 -0.57 -2.80 113.62 114.19 2wrl n SER 130 Ca -0.14 -0.63 -0.05 0.00 1.01 0.00 0.00 58.87 59.05 2wrl n SER 130 Cb 0.93 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.10 2wrl n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wrl h ALA 131 N 2.65 -0.21 0.00 -0.43 0.00 -1.37 -3.23 119.26 116.67 2wrl h ALA 131 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wrl h ALA 131 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wrl h ALA 131 CO 0.00 -0.21 0.00 0.54 0.00 0.00 0.00 179.25 179.58 2wrl n ARG 132 N -4.91 0.79 0.11 0.00 1.74 -1.12 -0.75 116.66 112.53 2wrl n ARG 132 Ca -0.04 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.10 2wrl n ARG 132 Cb 0.14 -1.25 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 2wrl n ARG 132 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2wrl h SER 133 N 0.00 0.00 0.00 0.55 0.02 -1.57 -3.35 113.55 109.20 2wrl h SER 133 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wrl h SER 133 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wrl h SER 133 CO 0.00 0.28 -0.15 1.15 -1.14 0.00 0.00 176.83 176.98 2wrl n MET 134 N -2.94 0.98 -3.30 3.45 0.00 -0.97 -4.84 117.12 109.49 2wrl n MET 134 Ca -0.02 -1.45 -0.16 0.00 0.00 0.00 0.00 57.70 56.08 2wrl n MET 134 Cb 0.67 -0.89 0.08 0.00 0.00 0.00 0.00 33.22 33.09 2wrl n MET 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wrl n GLY 135 N -0.51 -0.40 2.67 3.17 0.00 -0.76 -2.68 105.19 106.68 2wrl n GLY 135 Ca 0.05 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 2wrl n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s VAL 136 N -3.34 1.54 0.81 1.61 0.11 0.07 -3.71 120.40 117.48 2wrl s VAL 136 Ca 0.05 -3.14 -0.16 0.00 -2.93 0.00 0.00 61.98 55.81 2wrl s VAL 136 Cb -0.01 -2.04 -0.07 0.00 -1.53 0.00 0.00 36.38 32.74 2wrl s VAL 136 CO 0.68 -1.04 0.08 -1.84 -3.33 0.00 0.00 175.10 169.64 2wrl n GLU 137 N 2.81 0.05 -3.58 1.54 0.28 -1.25 -4.56 120.64 115.93 2wrl n GLU 137 Ca 0.19 0.05 -0.39 0.00 -0.16 0.00 0.00 57.16 56.85 2wrl n GLU 137 Cb 0.39 -1.51 -0.11 0.00 1.43 0.00 0.00 31.44 31.64 2wrl n GLU 137 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2wrl s VAL 138 N -2.05 5.11 0.10 3.84 1.01 -1.26 -2.74 120.40 124.41 2wrl s VAL 138 Ca 0.56 -0.14 -0.32 0.00 0.00 0.00 0.00 61.98 62.08 2wrl s VAL 138 Cb -0.30 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.42 2wrl s VAL 138 CO 0.67 0.10 1.81 0.52 0.00 0.00 0.00 175.10 178.20 2wrl n VAL 139 N 5.06 0.34 -4.25 2.92 0.31 0.51 -4.88 118.33 118.34 2wrl n VAL 139 Ca -0.13 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 63.97 2wrl n VAL 139 Cb 0.50 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.33 2wrl n VAL 139 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2wrl s GLY 140 N 2.65 1.91 0.00 2.92 0.00 -1.26 -1.35 107.32 112.19 2wrl s GLY 140 Ca 0.83 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 43.66 2wrl s GLY 140 CO 0.39 -1.44 0.00 0.00 0.00 0.00 0.00 173.10 172.05