#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wn1 n ASP 5 N 0.00 -4.91 -3.58 0.53 10.43 -1.26 -5.11 116.55 112.65 2wn1 n ASP 5 Ca 0.00 0.54 -0.16 0.00 2.57 0.00 0.00 54.79 57.74 2wn1 n ASP 5 Cb 0.00 -1.92 -0.07 0.00 1.84 0.00 0.00 41.12 40.97 2wn1 n ASP 5 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2wn1 s LYS 6 N -2.76 0.94 0.47 -1.24 -0.14 -1.26 -5.14 119.74 110.61 2wn1 s LYS 6 Ca 0.00 0.60 -0.23 0.00 -1.36 0.00 0.00 55.97 54.97 2wn1 s LYS 6 Cb 0.00 0.45 -0.08 0.00 -1.68 0.00 0.00 37.83 36.52 2wn1 s LYS 6 CO 0.00 -0.22 1.16 0.00 -0.76 0.00 0.00 175.35 175.54 2wn1 n ALA 7 N 1.77 0.86 -3.49 5.17 0.00 -1.26 -4.76 120.51 118.79 2wn1 n ALA 7 Ca -0.17 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 2wn1 n ALA 7 Cb 0.56 -2.21 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 2wn1 n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wn1 s SER 8 N -0.77 -0.61 0.14 0.00 0.15 -1.26 -1.17 113.70 110.18 2wn1 s SER 8 Ca 0.66 1.09 -0.04 0.00 0.70 0.00 0.00 55.95 58.35 2wn1 s SER 8 Cb -0.49 1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2wn1 s SER 8 CO 0.54 -0.28 0.14 0.00 1.20 0.00 0.00 173.24 174.85 2wn1 s MET 9 N 0.02 0.99 -0.03 5.44 0.23 -0.16 -5.01 119.30 120.79 2wn1 s MET 9 Ca -0.02 -1.31 0.07 0.00 -1.03 0.00 0.00 55.69 53.40 2wn1 s MET 9 Cb -0.04 0.29 -0.02 0.00 -1.53 0.00 0.00 34.83 33.54 2wn1 s MET 9 CO 0.02 -0.31 -0.25 0.99 -2.03 0.00 0.00 175.02 173.44 2wn1 s THR 10 N -4.01 2.02 -0.06 3.16 2.01 -1.26 -0.67 115.64 116.84 2wn1 s THR 10 Ca 0.20 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.17 2wn1 s THR 10 Cb 0.06 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 2wn1 s THR 10 CO 0.00 0.57 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.58 2wn1 s VAL 11 N -0.49 1.88 -0.08 3.82 1.01 -0.13 -4.85 120.40 121.56 2wn1 s VAL 11 Ca 0.06 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2wn1 s VAL 11 Cb -0.11 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2wn1 s VAL 11 CO 0.00 0.53 0.38 -0.54 0.00 0.00 0.00 175.10 175.47 2wn1 s LYS 12 N -0.09 4.10 -0.10 2.72 1.02 -1.26 -0.63 119.74 125.50 2wn1 s LYS 12 Ca -0.04 0.30 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 2wn1 s LYS 12 Cb -0.13 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2wn1 s LYS 12 CO 0.03 0.43 -0.04 0.42 -0.92 0.00 0.00 175.35 175.28 2wn1 s ILE 13 N -0.20 3.96 0.12 2.17 -1.09 -0.55 -4.26 121.20 121.36 2wn1 s ILE 13 Ca 0.22 -0.37 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 2wn1 s ILE 13 Cb -0.15 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 2wn1 s ILE 13 CO 0.09 0.57 -0.13 0.20 -1.23 0.00 0.00 174.94 174.44 2wn1 s ASN 14 N -0.47 1.90 0.40 3.58 0.01 0.18 -0.82 114.94 119.72 2wn1 s ASN 14 Ca 0.08 -0.82 -0.27 0.00 -0.71 0.00 0.00 52.86 51.14 2wn1 s ASN 14 Cb -0.12 -0.05 -0.10 0.00 0.41 0.00 0.00 41.25 41.38 2wn1 s ASN 14 CO 0.02 -0.17 1.40 -0.62 -1.51 0.00 0.00 177.10 176.23 2wn1 n GLU 15 N 0.52 2.35 -3.55 -0.60 1.02 -0.22 -0.61 120.64 119.55 2wn1 n GLU 15 Ca -0.15 0.83 -0.40 0.00 -0.02 0.00 0.00 57.16 57.41 2wn1 n GLU 15 Cb 0.57 -2.55 -0.11 0.00 -0.02 0.00 0.00 31.44 29.33 2wn1 n GLU 15 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wn1 s SER 16 N -0.31 5.94 0.31 1.62 0.01 0.63 -1.17 113.70 120.73 2wn1 s SER 16 Ca 0.57 -0.55 0.10 0.00 1.31 0.00 0.00 55.95 57.38 2wn1 s SER 16 Cb -0.49 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 2wn1 s SER 16 CO 0.61 -0.27 -0.04 -0.76 0.41 0.00 0.00 173.24 173.19 2wn1 s LEU 17 N 1.68 2.94 0.19 2.44 1.43 -0.14 -4.65 118.68 122.58 2wn1 s LEU 17 Ca 0.05 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 2wn1 s LEU 17 Cb -0.18 -1.37 0.12 0.00 0.03 0.00 0.00 46.19 44.80 2wn1 s LEU 17 CO 0.09 -0.12 1.81 -0.65 0.23 0.00 0.00 176.35 177.72 2wn1 h PRO 18 N 1.94 0.97 -0.34 1.29 0.11 -1.92 -2.92 132.00 131.13 2wn1 h PRO 18 Ca -0.42 -0.11 0.02 0.00 0.11 0.00 0.00 66.00 65.60 2wn1 h PRO 18 Cb 1.25 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2wn1 h PRO 18 CO 0.64 0.72 0.16 0.37 -0.21 0.00 0.00 178.00 179.68 2wn1 h GLN 19 N 0.95 0.33 0.00 1.05 -0.00 -1.96 -3.44 115.11 112.05 2wn1 h GLN 19 Ca 0.25 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.88 2wn1 h GLN 19 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 27.48 27.44 2wn1 h GLN 19 CO -0.04 0.22 0.00 0.41 0.00 0.00 0.00 178.83 179.42 2wn1 n GLY 20 N -1.20 -0.65 3.80 2.39 0.00 -1.10 -4.92 105.19 103.51 2wn1 n GLY 20 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 2wn1 n GLY 20 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wn1 s ASN 21 N -4.00 6.40 0.00 1.61 0.01 -1.26 -0.96 114.94 116.74 2wn1 s ASN 21 Ca 0.00 1.89 0.00 0.00 -0.71 0.00 0.00 52.86 54.04 2wn1 s ASN 21 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 2wn1 s ASN 21 CO 0.00 -0.74 0.00 0.61 -1.51 0.00 0.00 177.10 175.46 2wn1 n GLY 22 N -0.35 4.88 3.69 0.66 0.00 -0.32 -4.82 105.19 108.93 2wn1 n GLY 22 Ca 0.09 -1.84 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 2wn1 n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wn1 n LYS 23 N 0.00 1.45 -2.50 1.61 5.02 -1.26 -4.32 118.16 118.16 2wn1 n LYS 23 Ca 0.00 0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 56.41 2wn1 n LYS 23 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 2wn1 n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wn1 s ALA 24 N -1.34 3.36 -1.53 7.82 0.00 -1.26 -1.06 121.76 127.75 2wn1 s ALA 24 Ca 0.71 0.80 0.14 0.00 0.00 0.00 0.00 51.96 53.61 2wn1 s ALA 24 Cb -0.44 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.34 2wn1 s ALA 24 CO 0.50 -0.30 0.86 1.28 0.00 0.00 0.00 175.76 178.10 2wn1 n LEU 25 N 3.14 1.82 0.00 0.00 4.77 0.00 -4.95 117.00 121.78 2wn1 n LEU 25 Ca 0.06 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2wn1 n LEU 25 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2wn1 n LEU 25 CO 0.54 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2wn1 n GLY 26 N 0.95 0.15 3.14 -0.72 0.00 -1.24 -0.93 105.19 106.54 2wn1 n GLY 26 Ca 0.07 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 2wn1 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wn1 s THR 27 N -0.06 0.37 -0.10 2.61 -4.23 -1.16 -1.48 115.64 111.60 2wn1 s THR 27 Ca 0.00 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 2wn1 s THR 27 Cb 0.00 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.09 2wn1 s THR 27 CO 0.00 -0.77 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.44 2wn1 s VAL 28 N -3.84 1.65 -0.23 2.29 1.01 0.20 0.07 120.40 121.54 2wn1 s VAL 28 Ca 0.14 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.21 2wn1 s VAL 28 Cb 0.07 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 2wn1 s VAL 28 CO -0.04 0.47 0.37 -0.89 0.00 0.00 0.00 175.10 175.01 2wn1 s THR 29 N 0.67 5.21 -0.29 3.92 2.01 0.73 -0.95 115.64 126.93 2wn1 s THR 29 Ca -0.13 0.61 -0.10 0.00 0.31 0.00 0.00 61.69 62.38 2wn1 s THR 29 Cb -0.16 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 2wn1 s THR 29 CO 0.03 0.23 0.16 -0.69 -0.69 0.00 0.00 174.62 173.66 2wn1 s VAL 30 N 1.54 4.89 -0.04 3.82 1.01 0.15 -1.07 120.40 130.70 2wn1 s VAL 30 Ca 0.17 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.08 2wn1 s VAL 30 Cb -0.15 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2wn1 s VAL 30 CO 0.08 0.19 -0.19 -0.89 0.00 0.00 0.00 175.10 174.29 2wn1 s THR 31 N 1.68 1.57 0.04 3.92 2.01 -0.45 -0.98 115.64 123.43 2wn1 s THR 31 Ca 0.06 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 2wn1 s THR 31 Cb -0.16 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 2wn1 s THR 31 CO 0.08 0.45 1.12 -1.61 -0.69 0.00 0.00 174.62 173.97 2wn1 s GLU 32 N -0.06 4.48 0.30 4.92 2.02 -0.32 -0.38 118.70 129.66 2wn1 s GLU 32 Ca -0.03 1.65 0.03 0.00 0.02 0.00 0.00 54.97 56.65 2wn1 s GLU 32 Cb -0.12 -3.38 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 2wn1 s GLU 32 CO 0.02 -0.18 0.05 0.95 0.02 0.00 0.00 175.26 176.12 2wn1 s THR 33 N 1.03 1.07 -0.07 3.63 -4.23 -0.86 -4.60 115.64 111.60 2wn1 s THR 33 Ca 0.56 -2.01 0.25 0.00 -1.18 0.00 0.00 61.69 59.31 2wn1 s THR 33 Cb -0.27 -2.68 0.25 0.00 1.34 0.00 0.00 72.50 71.14 2wn1 s THR 33 CO 0.29 -0.07 1.75 0.00 -0.54 0.00 0.00 174.62 176.05 2wn1 h ALA 34 N 2.23 1.01 -0.02 3.99 0.00 -1.98 -2.23 119.26 122.26 2wn1 h ALA 34 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2wn1 h ALA 34 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wn1 h ALA 34 CO 0.67 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 180.57 2wn1 n TYR 35 N -2.37 0.06 0.00 0.00 4.01 -1.26 -5.10 117.16 112.51 2wn1 n TYR 35 Ca -0.02 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 56.93 2wn1 n TYR 35 Cb 0.05 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2wn1 n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wn1 n GLY 36 N -0.98 -0.27 3.72 2.72 0.00 -0.84 -4.27 105.19 105.27 2wn1 n GLY 36 Ca 0.10 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 2wn1 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wn1 s LEU 37 N 0.00 4.40 -0.20 0.99 1.43 -0.48 -2.03 118.68 122.79 2wn1 s LEU 37 Ca 0.00 2.09 -0.08 0.00 -1.03 0.00 0.00 54.13 55.11 2wn1 s LEU 37 Cb 0.00 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 2wn1 s LEU 37 CO 0.00 -0.44 0.07 -0.22 0.23 0.00 0.00 176.35 175.99 2wn1 s LEU 38 N 0.68 3.74 -0.50 1.79 2.96 0.49 -0.64 118.68 127.20 2wn1 s LEU 38 Ca 0.57 0.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.38 2wn1 s LEU 38 Cb -0.31 -1.96 0.13 0.00 0.50 0.00 0.00 46.19 44.55 2wn1 s LEU 38 CO 0.31 0.12 0.40 -0.36 -1.32 0.00 0.00 176.35 175.50 2wn1 s PHE 39 N 0.71 3.39 -0.40 5.38 0.40 0.08 -1.34 117.98 126.19 2wn1 s PHE 39 Ca 0.04 -1.74 -0.18 0.00 -0.60 0.00 0.00 56.93 54.45 2wn1 s PHE 39 Cb -0.13 -3.58 0.01 0.00 0.51 0.00 0.00 43.02 39.83 2wn1 s PHE 39 CO 0.02 -1.00 0.47 0.99 0.70 0.00 0.00 175.22 176.39 2wn1 s THR 40 N 1.37 5.05 0.29 0.64 2.01 -0.23 -1.36 115.64 123.40 2wn1 s THR 40 Ca 0.06 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 2wn1 s THR 40 Cb -0.27 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 2wn1 s THR 40 CO -0.00 -0.38 0.72 -2.16 -0.69 0.00 0.00 174.62 172.11 2wn1 s PRO 41 N 2.25 4.05 -0.47 4.92 0.04 -1.26 -0.19 135.00 144.33 2wn1 s PRO 41 Ca 0.14 0.68 0.09 0.00 0.04 0.00 0.00 61.00 61.95 2wn1 s PRO 41 Cb -0.16 -2.56 0.31 0.00 0.04 0.00 0.00 34.50 32.13 2wn1 s PRO 41 CO 0.14 0.23 0.74 0.72 0.04 0.00 0.00 177.00 178.88 2wn1 n HIS 42 N -0.07 1.55 -3.90 0.56 8.25 0.11 -4.04 115.22 117.68 2wn1 n HIS 42 Ca 0.02 -3.86 -0.21 0.00 -0.26 0.00 0.00 57.72 53.40 2wn1 n HIS 42 Cb 0.53 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 2wn1 n HIS 42 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wn1 s LEU 43 N -2.44 3.59 0.05 2.41 1.43 -0.82 -2.96 118.68 119.93 2wn1 s LEU 43 Ca 0.41 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 2wn1 s LEU 43 Cb 0.27 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 44.32 2wn1 s LEU 43 CO -0.09 -0.29 0.25 0.28 0.23 0.00 0.00 176.35 176.73 2wn1 s THR 44 N -2.29 0.10 -0.49 5.49 -1.32 -0.11 -1.70 115.64 115.33 2wn1 s THR 44 Ca 0.39 -0.83 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 2wn1 s THR 44 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2wn1 s THR 44 CO 0.26 -0.46 0.42 0.61 -2.21 0.00 0.00 174.62 173.24 2wn1 n GLY 45 N 0.48 0.34 3.50 6.08 0.00 -0.97 -4.72 105.19 109.89 2wn1 n GLY 45 Ca -0.18 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 2wn1 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wn1 s LEU 46 N -3.40 2.70 0.11 0.99 1.43 0.20 -5.05 118.68 115.66 2wn1 s LEU 46 Ca 0.16 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 2wn1 s LEU 46 Cb -0.07 -1.37 -0.08 0.00 0.03 0.00 0.00 46.19 44.69 2wn1 s LEU 46 CO 0.27 0.09 1.49 0.00 0.23 0.00 0.00 176.35 178.43 2wn1 s ALA 47 N -1.85 3.66 0.28 4.21 0.00 -1.26 -4.11 121.76 122.68 2wn1 s ALA 47 Ca 0.24 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 2wn1 s ALA 47 Cb -0.08 -3.60 -0.13 0.00 0.00 0.00 0.00 23.12 19.32 2wn1 s ALA 47 CO 0.13 -0.79 1.39 -2.30 0.00 0.00 0.00 175.76 174.20 2wn1 n PRO 48 N 4.44 2.14 0.00 0.00 -0.02 -1.26 -4.79 135.00 135.51 2wn1 n PRO 48 Ca 0.13 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2wn1 n PRO 48 Cb 0.41 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2wn1 n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wn1 n GLY 49 N 1.72 0.76 3.52 -1.23 0.00 -0.75 -5.00 105.19 104.21 2wn1 n GLY 49 Ca 0.09 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 2wn1 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wn1 s ILE 50 N -1.57 4.16 -0.04 -0.61 1.01 -1.26 -0.36 121.20 122.54 2wn1 s ILE 50 Ca 0.00 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2wn1 s ILE 50 Cb 0.00 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 2wn1 s ILE 50 CO 0.00 0.46 -0.22 -1.00 0.00 0.00 0.00 174.94 174.17 2wn1 s HIS 51 N 0.61 2.46 0.24 3.97 3.76 -0.41 -3.52 115.29 122.40 2wn1 s HIS 51 Ca -0.00 -0.41 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 2wn1 s HIS 51 Cb -0.14 -1.56 -0.14 0.00 1.11 0.00 0.00 32.58 31.85 2wn1 s HIS 51 CO 0.02 -0.01 1.17 0.41 -0.85 0.00 0.00 174.74 175.48 2wn1 n GLY 52 N 2.50 0.13 2.64 -2.22 0.00 0.10 -0.42 105.19 107.92 2wn1 n GLY 52 Ca -0.17 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 2wn1 n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wn1 s PHE 53 N -0.54 0.05 0.13 1.61 5.36 -1.26 -1.63 117.98 121.70 2wn1 s PHE 53 Ca 0.66 -0.91 0.05 0.00 -0.96 0.00 0.00 56.93 55.76 2wn1 s PHE 53 Cb -0.73 -0.65 -0.04 0.00 -0.34 0.00 0.00 43.02 41.26 2wn1 s PHE 53 CO 0.55 -0.90 -0.11 -1.01 -1.46 0.00 0.00 175.22 172.30 2wn1 s HIS 54 N 1.66 1.23 -0.21 10.12 3.76 -1.05 -2.81 115.29 127.99 2wn1 s HIS 54 Ca 0.14 -0.69 -0.17 0.00 -0.15 0.00 0.00 55.06 54.19 2wn1 s HIS 54 Cb -0.17 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 2wn1 s HIS 54 CO -0.15 0.07 0.46 -0.51 -0.85 0.00 0.00 174.74 173.76 2wn1 s LEU 55 N -2.81 4.13 0.25 0.89 1.43 0.57 -0.70 118.68 122.45 2wn1 s LEU 55 Ca 0.12 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2wn1 s LEU 55 Cb -0.01 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2wn1 s LEU 55 CO 0.01 -0.15 0.39 -1.00 0.23 0.00 0.00 176.35 175.83 2wn1 s HIS 56 N 1.62 3.46 0.08 0.29 3.76 0.18 -0.44 115.29 124.24 2wn1 s HIS 56 Ca 0.21 0.04 -0.21 0.00 -0.15 0.00 0.00 55.06 54.96 2wn1 s HIS 56 Cb -0.15 -1.62 -0.10 0.00 1.11 0.00 0.00 32.58 31.81 2wn1 s HIS 56 CO 0.09 0.39 1.61 1.49 -0.85 0.00 0.00 174.74 177.47 2wn1 h GLU 57 N 1.14 0.25 -5.98 1.40 4.81 -0.97 -2.82 114.58 112.40 2wn1 h GLU 57 Ca -0.52 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.05 2wn1 h GLU 57 Cb 1.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2wn1 h GLU 57 CO 0.61 0.34 -0.25 0.15 -0.73 0.00 0.00 179.01 179.14 2wn1 s LYS 58 N -5.50 3.82 0.00 1.92 1.02 0.03 -4.66 119.74 116.37 2wn1 s LYS 58 Ca -0.14 0.28 -0.03 0.00 0.02 0.00 0.00 55.97 56.11 2wn1 s LYS 58 Cb 0.07 -3.17 -0.13 0.00 -0.52 0.00 0.00 37.83 34.08 2wn1 s LYS 58 CO 0.70 0.67 2.38 -2.30 -0.92 0.00 0.00 175.35 175.88 2wn1 n PRO 59 N 1.63 1.24 -4.05 -1.68 -0.02 -1.25 -3.40 135.00 127.47 2wn1 n PRO 59 Ca -0.13 -0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 60.71 2wn1 n PRO 59 Cb 0.53 -1.63 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 2wn1 n PRO 59 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wn1 s SER 60 N 2.18 0.51 0.00 2.55 0.15 -1.26 -4.93 113.70 112.90 2wn1 s SER 60 Ca 0.33 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.80 2wn1 s SER 60 Cb 0.16 -0.00 0.17 0.00 -1.71 0.00 0.00 66.02 64.64 2wn1 s SER 60 CO 0.00 -0.08 1.03 0.00 1.20 0.00 0.00 173.24 175.39 2wn1 s ALA 62 N -0.88 2.14 1.06 0.00 0.00 -1.26 -3.56 121.76 119.26 2wn1 s ALA 62 Ca 0.14 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2wn1 s ALA 62 Cb 0.08 -3.41 0.22 0.00 0.00 0.00 0.00 23.12 20.01 2wn1 s ALA 62 CO 0.11 -1.82 1.07 -2.14 0.00 0.00 0.00 175.76 172.97 2wn1 s PRO 63 N -4.12 -0.08 0.10 0.00 0.02 -1.26 -1.39 135.00 128.27 2wn1 s PRO 63 Ca 0.70 0.87 -0.03 0.00 0.02 0.00 0.00 61.00 62.57 2wn1 s PRO 63 Cb -0.25 -1.65 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 2wn1 s PRO 63 CO 0.47 -3.17 0.06 0.20 -0.33 0.00 0.00 177.00 174.23 2wn1 s GLY 64 N -2.86 0.64 -0.23 0.52 0.00 0.15 -4.06 107.32 101.48 2wn1 s GLY 64 Ca 0.67 -1.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 2wn1 s GLY 64 CO 0.61 -1.23 0.15 1.06 0.00 0.00 0.00 173.10 173.68 2wn1 s MET 65 N -3.97 4.09 -0.21 2.90 -1.94 -1.26 0.50 119.30 119.40 2wn1 s MET 65 Ca 0.15 -0.27 -0.04 0.00 -1.71 0.00 0.00 55.69 53.82 2wn1 s MET 65 Cb 0.07 -3.49 0.07 0.00 2.01 0.00 0.00 34.83 33.49 2wn1 s MET 65 CO -0.04 0.12 0.08 0.15 -0.01 0.00 0.00 175.02 175.31 2wn1 s LYS 66 N 0.88 0.34 -1.48 2.03 1.02 -0.85 -4.84 119.74 116.84 2wn1 s LYS 66 Ca 0.07 -0.36 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 2wn1 s LYS 66 Cb -0.13 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.37 2wn1 s LYS 66 CO 0.03 -0.74 0.75 -0.25 -0.92 0.00 0.00 175.35 174.22 2wn1 n ASP 67 N 5.16 -5.82 0.00 2.83 8.00 -1.26 -2.71 116.55 122.76 2wn1 n ASP 67 Ca -0.07 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2wn1 n ASP 67 Cb 0.47 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 2wn1 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wn1 n GLY 68 N -1.61 0.74 3.36 0.44 0.00 -1.26 -5.04 105.19 101.82 2wn1 n GLY 68 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 2wn1 n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wn1 s LYS 69 N -0.35 2.46 -0.46 1.61 0.00 -1.10 -5.08 119.74 116.82 2wn1 s LYS 69 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 55.97 54.85 2wn1 s LYS 69 Cb 0.00 -2.23 0.01 0.00 0.00 0.00 0.00 37.83 35.62 2wn1 s LYS 69 CO 0.00 0.50 1.37 0.00 0.00 0.00 0.00 175.35 177.23 2wn1 s ALA 70 N -0.45 3.00 -0.27 0.59 0.00 -1.26 -2.00 121.76 121.38 2wn1 s ALA 70 Ca 0.05 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 2wn1 s ALA 70 Cb -0.12 -3.98 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2wn1 s ALA 70 CO 0.01 -2.52 0.28 0.08 0.00 0.00 0.00 175.76 173.61 2wn1 s VAL 71 N 5.47 5.25 0.05 0.00 1.01 0.18 -4.58 120.40 127.78 2wn1 s VAL 71 Ca 0.57 0.37 -0.35 0.00 0.00 0.00 0.00 61.98 62.58 2wn1 s VAL 71 Cb -0.12 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.51 2wn1 s VAL 71 CO 0.31 0.22 1.64 -2.65 0.00 0.00 0.00 175.10 174.61 2wn1 n PRO 72 N 5.06 1.93 -1.07 2.72 -0.02 -1.26 -0.67 135.00 141.68 2wn1 n PRO 72 Ca -0.11 0.70 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 2wn1 n PRO 72 Cb 0.51 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2wn1 n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wn1 n ALA 73 N 4.30 -0.04 0.27 3.55 0.00 -1.18 -4.54 120.51 122.87 2wn1 n ALA 73 Ca 0.19 0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.78 2wn1 n ALA 73 Cb 0.26 -1.51 0.72 0.00 0.00 0.00 0.00 19.45 18.93 2wn1 n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wn1 h LEU 74 N 0.00 0.00 0.00 0.00 5.85 -1.31 -2.67 115.31 117.18 2wn1 h LEU 74 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2wn1 h LEU 74 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2wn1 h LEU 74 CO 0.08 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.22 2wn1 n ALA 75 N -2.44 1.68 1.07 1.25 0.00 -0.49 -1.97 120.51 119.62 2wn1 n ALA 75 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2wn1 n ALA 75 Cb 0.12 -1.12 0.42 0.00 0.00 0.00 0.00 19.45 18.87 2wn1 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wn1 n ALA 76 N -1.11 3.05 -0.35 0.00 0.00 -1.01 -4.58 120.51 116.51 2wn1 n ALA 76 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2wn1 n ALA 76 Cb 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2wn1 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wn1 n GLY 77 N 1.46 -1.44 0.00 0.00 0.00 -0.83 -0.79 105.19 103.59 2wn1 n GLY 77 Ca 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2wn1 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wn1 n GLY 78 N 0.00 -0.89 3.77 -0.02 0.00 -1.26 -4.61 105.19 102.18 2wn1 n GLY 78 Ca 0.00 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 2wn1 n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wn1 s HIS 79 N -0.45 3.24 -0.09 1.61 3.76 -1.26 -1.22 115.29 120.87 2wn1 s HIS 79 Ca 0.00 1.62 -0.34 0.00 -0.15 0.00 0.00 55.06 56.20 2wn1 s HIS 79 Cb 0.00 -3.23 -0.11 0.00 1.11 0.00 0.00 32.58 30.35 2wn1 s HIS 79 CO 0.00 -0.84 1.92 -0.11 -0.85 0.00 0.00 174.74 174.86 2wn1 n LEU 80 N 0.11 3.49 -3.00 0.89 7.94 0.42 -4.56 117.00 122.28 2wn1 n LEU 80 Ca 0.04 0.92 -0.16 0.00 -1.11 0.00 0.00 56.01 55.70 2wn1 n LEU 80 Cb 0.48 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.04 2wn1 n LEU 80 CO 0.48 -0.07 -0.03 -0.67 -1.11 0.00 0.00 177.39 175.99 2wn1 n ASP 81 N 7.07 -0.79 -0.30 1.96 2.03 -1.26 -1.03 116.55 124.23 2wn1 n ASP 81 Ca 0.23 -3.15 0.10 0.00 0.52 0.00 0.00 54.79 52.49 2wn1 n ASP 81 Cb 0.31 0.44 0.34 0.00 -0.72 0.00 0.00 41.12 41.49 2wn1 n ASP 81 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wn1 h PRO 82 N 3.44 0.76 0.00 -0.67 0.11 -1.97 0.60 132.00 134.28 2wn1 h PRO 82 Ca -0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wn1 h PRO 82 Cb 0.99 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2wn1 h PRO 82 CO 0.37 0.50 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 2wn1 n ASN 83 N -4.58 0.00 -3.62 -2.05 4.13 -1.26 -4.91 115.26 102.97 2wn1 n ASN 83 Ca 0.18 -0.58 -0.21 0.00 1.68 0.00 0.00 54.58 55.65 2wn1 n ASN 83 Cb 0.43 -0.12 0.05 0.00 -1.54 0.00 0.00 39.78 38.61 2wn1 n ASN 83 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2wn1 n LYS 84 N -1.12 -5.74 0.11 3.52 4.01 0.20 -4.90 118.16 114.25 2wn1 n LYS 84 Ca 0.18 0.71 -0.02 0.00 -0.51 0.00 0.00 58.31 58.67 2wn1 n LYS 84 Cb 0.15 -5.48 0.06 0.00 -0.51 0.00 0.00 35.03 29.25 2wn1 n LYS 84 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2wn1 h THR 85 N -1.95 1.38 -1.93 -0.18 1.35 -1.89 -3.47 112.91 106.24 2wn1 h THR 85 Ca -0.60 -2.55 -0.39 0.00 -0.55 0.00 0.00 66.41 62.32 2wn1 h THR 85 Cb 1.35 2.43 -0.08 0.00 -1.73 0.00 0.00 68.15 70.12 2wn1 h THR 85 CO 0.55 0.70 -0.43 0.61 -0.25 0.00 0.00 175.52 176.70 2wn1 n GLY 86 N 0.81 0.59 3.00 5.82 0.00 -1.26 -4.98 105.19 109.17 2wn1 n GLY 86 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2wn1 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wn1 s VAL 87 N -2.85 0.07 -0.37 1.61 0.11 -1.26 -5.06 120.40 112.65 2wn1 s VAL 87 Ca 0.00 -0.58 -0.13 0.00 -2.93 0.00 0.00 61.98 58.34 2wn1 s VAL 87 Cb 0.00 -0.25 0.01 0.00 -1.53 0.00 0.00 36.38 34.61 2wn1 s VAL 87 CO 0.00 -0.32 0.24 -2.28 -3.33 0.00 0.00 175.10 169.41 2wn1 s HIS 88 N -0.99 3.23 -0.00 1.54 2.46 -1.26 -0.73 115.29 119.54 2wn1 s HIS 88 Ca -0.11 -0.53 0.00 0.00 0.47 0.00 0.00 55.06 54.89 2wn1 s HIS 88 Cb -0.06 -2.49 0.00 0.00 -0.13 0.00 0.00 32.58 29.89 2wn1 s HIS 88 CO -0.00 -0.51 0.65 1.28 -2.47 0.00 0.00 174.74 173.69 2wn1 n LEU 89 N 5.09 0.60 0.00 8.88 4.77 -1.26 -3.42 117.00 131.65 2wn1 n LEU 89 Ca -0.12 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2wn1 n LEU 89 Cb 0.48 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2wn1 n LEU 89 CO 0.38 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2wn1 n GLY 90 N -0.15 -2.69 0.11 -0.72 0.00 -1.25 -4.24 105.19 96.24 2wn1 n GLY 90 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.46 2wn1 n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wn1 n PRO 91 N -0.54 0.25 -0.23 1.61 -0.02 -1.23 -3.60 135.00 131.25 2wn1 n PRO 91 Ca 0.00 0.23 0.06 0.00 -2.02 0.00 0.00 63.50 61.77 2wn1 n PRO 91 Cb 0.00 -1.81 0.17 0.00 -0.02 0.00 0.00 33.50 31.84 2wn1 n PRO 91 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wn1 n TYR 92 N -2.26 0.52 -3.89 6.00 0.53 -1.26 -4.27 117.16 112.54 2wn1 n TYR 92 Ca 0.05 -0.66 -0.27 0.00 -1.02 0.00 0.00 57.90 56.00 2wn1 n TYR 92 Cb 0.41 -0.13 -0.17 0.00 -1.03 0.00 0.00 39.34 38.42 2wn1 n TYR 92 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 2wn1 s ASN 93 N -1.45 2.26 0.58 7.72 3.84 -1.24 -5.02 114.94 121.64 2wn1 s ASN 93 Ca 0.27 -0.36 0.37 0.00 0.21 0.00 0.00 52.86 53.35 2wn1 s ASN 93 Cb 0.19 -0.82 1.68 0.00 -0.55 0.00 0.00 41.25 41.75 2wn1 s ASN 93 CO 0.10 -0.14 2.10 0.44 -2.79 0.00 0.00 177.10 176.81 2wn1 h ASP 94 N 8.18 0.00 -0.06 -4.21 3.32 -1.92 -3.19 116.42 118.54 2wn1 h ASP 94 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2wn1 h ASP 94 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2wn1 h ASP 94 CO 0.39 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 178.21 2wn1 n LYS 95 N -3.10 1.44 -4.05 3.56 5.02 -1.26 -4.89 118.16 114.88 2wn1 n LYS 95 Ca -0.01 -0.65 -0.24 0.00 -2.02 0.00 0.00 58.31 55.40 2wn1 n LYS 95 Cb 0.24 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 2wn1 n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wn1 n GLY 96 N 1.05 3.60 3.66 0.72 0.00 -1.20 -4.76 105.19 108.25 2wn1 n GLY 96 Ca 0.18 -2.25 -0.57 0.00 0.00 0.00 0.00 46.02 43.37 2wn1 n GLY 96 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wn1 n HIS 97 N -0.91 1.72 0.20 1.61 8.25 0.09 -4.84 115.22 121.35 2wn1 n HIS 97 Ca -0.12 0.70 0.13 0.00 -0.26 0.00 0.00 57.72 58.17 2wn1 n HIS 97 Cb 0.50 -2.36 0.71 0.00 1.12 0.00 0.00 29.99 29.97 2wn1 n HIS 97 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wn1 h LEU 98 N 5.72 0.00 0.00 2.41 5.85 -1.76 -1.94 115.31 125.60 2wn1 h LEU 98 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2wn1 h LEU 98 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2wn1 h LEU 98 CO 0.88 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.59 2wn1 n GLY 99 N -1.52 -0.88 3.61 3.75 0.00 -0.20 -4.78 105.19 105.17 2wn1 n GLY 99 Ca 0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wn1 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wn1 s ASP 100 N -1.15 6.73 0.34 1.61 1.01 -0.73 -0.31 116.67 124.18 2wn1 s ASP 100 Ca 0.02 0.66 0.08 0.00 0.71 0.00 0.00 52.55 54.01 2wn1 s ASP 100 Cb 0.01 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2wn1 s ASP 100 CO 0.01 -0.97 0.27 -0.76 0.21 0.00 0.00 175.17 173.93 2wn1 s LEU 101 N 3.77 3.50 0.72 1.23 1.43 -1.12 -3.47 118.68 124.74 2wn1 s LEU 101 Ca 0.42 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 2wn1 s LEU 101 Cb -0.11 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2wn1 s LEU 101 CO 0.21 -0.37 1.12 -2.84 0.23 0.00 0.00 176.35 174.70 2wn1 s PRO 102 N -3.97 2.41 0.34 1.29 0.02 -1.26 -4.49 135.00 129.34 2wn1 s PRO 102 Ca 0.41 1.39 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 2wn1 s PRO 102 Cb -0.05 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.45 2wn1 s PRO 102 CO 0.26 -1.55 1.31 0.41 -0.33 0.00 0.00 177.00 177.10 2wn1 n GLY 103 N -0.53 0.66 3.64 0.52 0.00 -1.26 -4.53 105.19 103.69 2wn1 n GLY 103 Ca 0.11 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 2wn1 n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wn1 s LEU 104 N -1.09 3.94 -0.21 0.99 2.96 0.44 -4.82 118.68 120.90 2wn1 s LEU 104 Ca 0.56 1.15 -0.26 0.00 -0.22 0.00 0.00 54.13 55.36 2wn1 s LEU 104 Cb -0.56 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.58 2wn1 s LEU 104 CO 0.62 -0.92 0.87 -0.69 -1.32 0.00 0.00 176.35 174.91 2wn1 s VAL 105 N 3.82 4.82 -0.16 1.68 1.01 -1.26 -1.29 120.40 129.03 2wn1 s VAL 105 Ca 0.49 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 64.13 2wn1 s VAL 105 Cb -0.14 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2wn1 s VAL 105 CO 0.17 -0.06 -0.09 -0.69 0.00 0.00 0.00 175.10 174.43 2wn1 s VAL 106 N 2.65 3.27 1.13 2.92 1.01 0.52 -4.20 120.40 127.70 2wn1 s VAL 106 Ca 0.38 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 2wn1 s VAL 106 Cb -0.16 -2.42 0.25 0.00 0.00 0.00 0.00 36.38 34.06 2wn1 s VAL 106 CO 0.09 0.49 1.09 0.20 0.00 0.00 0.00 175.10 176.98 2wn1 s ASN 107 N 0.65 1.53 0.57 3.32 0.01 0.13 -1.81 114.94 119.34 2wn1 s ASN 107 Ca -0.05 0.89 0.34 0.00 -0.71 0.00 0.00 52.86 53.33 2wn1 s ASN 107 Cb -0.15 -1.33 1.68 0.00 0.41 0.00 0.00 41.25 41.85 2wn1 s ASN 107 CO 0.02 -3.77 2.12 0.00 -1.51 0.00 0.00 177.10 173.96 2wn1 h ALA 108 N -2.34 1.10 -0.24 0.60 0.00 -1.97 -1.89 119.26 114.52 2wn1 h ALA 108 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2wn1 h ALA 108 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2wn1 h ALA 108 CO 0.45 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.36 2wn1 n ASP 109 N -3.29 2.26 0.00 0.00 5.75 -1.26 -4.83 116.55 115.18 2wn1 n ASP 109 Ca -0.01 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2wn1 n ASP 109 Cb 0.22 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2wn1 n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wn1 n GLY 110 N 1.25 0.76 3.91 6.12 0.00 -0.71 -4.75 105.19 111.77 2wn1 n GLY 110 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2wn1 n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wn1 s THR 111 N -2.73 5.02 -0.18 2.61 -4.23 -1.26 -0.63 115.64 114.24 2wn1 s THR 111 Ca 0.00 -0.02 0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2wn1 s THR 111 Cb 0.00 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 70.08 2wn1 s THR 111 CO 0.00 -0.46 -0.17 0.00 -0.54 0.00 0.00 174.62 173.45 2wn1 s ALA 112 N -2.24 2.19 0.00 3.99 0.00 -0.69 0.18 121.76 125.19 2wn1 s ALA 112 Ca 0.44 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2wn1 s ALA 112 Cb -0.10 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2wn1 s ALA 112 CO 0.33 -0.46 0.00 0.25 0.00 0.00 0.00 175.76 175.88 2wn1 n THR 113 N 4.65 0.00 -2.13 0.00 -2.24 -1.26 -1.95 114.28 111.36 2wn1 n THR 113 Ca -0.19 -0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 2wn1 n THR 113 Cb 0.49 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 2wn1 n THR 113 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wn1 s TYR 114 N -0.34 2.15 0.31 4.78 5.04 -1.26 -4.53 117.35 123.50 2wn1 s TYR 114 Ca 0.00 0.54 -0.29 0.00 -2.44 0.00 0.00 57.07 54.88 2wn1 s TYR 114 Cb 0.00 -3.95 -0.10 0.00 0.35 0.00 0.00 41.96 38.26 2wn1 s TYR 114 CO 0.00 -2.93 1.27 -2.14 -1.34 0.00 0.00 175.55 170.41 2wn1 s PRO 115 N 4.53 4.41 -0.09 4.97 0.02 -1.26 -4.55 135.00 143.03 2wn1 s PRO 115 Ca 0.70 2.13 0.03 0.00 0.02 0.00 0.00 61.00 63.88 2wn1 s PRO 115 Cb -0.25 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.17 2wn1 s PRO 115 CO 0.28 -0.12 -0.17 0.14 -0.33 0.00 0.00 177.00 176.80 2wn1 s VAL 116 N -1.03 1.58 -0.14 3.83 -7.23 -0.47 -4.96 120.40 111.98 2wn1 s VAL 116 Ca 0.49 -0.73 -0.17 0.00 -1.81 0.00 0.00 61.98 59.76 2wn1 s VAL 116 Cb -0.38 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2wn1 s VAL 116 CO 0.49 0.45 0.45 -0.22 -0.31 0.00 0.00 175.10 175.97 2wn1 s LEU 117 N 0.63 4.24 -0.61 1.32 2.96 -1.26 -0.74 118.68 125.22 2wn1 s LEU 117 Ca -0.14 0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 54.41 2wn1 s LEU 117 Cb -0.16 -2.64 0.16 0.00 0.50 0.00 0.00 46.19 44.05 2wn1 s LEU 117 CO 0.04 -0.02 0.48 0.00 -1.32 0.00 0.00 176.35 175.54 2wn1 s ALA 118 N 0.80 3.63 0.50 5.97 0.00 0.19 -4.62 121.76 128.23 2wn1 s ALA 118 Ca 0.24 -2.96 0.16 0.00 0.00 0.00 0.00 51.96 49.40 2wn1 s ALA 118 Cb -0.15 -2.96 1.23 0.00 0.00 0.00 0.00 23.12 21.24 2wn1 s ALA 118 CO 0.09 -2.06 2.11 -1.35 0.00 0.00 0.00 175.76 174.55 2wn1 h PRO 119 N 7.86 0.08 0.00 0.00 0.11 -1.76 -2.79 132.00 135.50 2wn1 h PRO 119 Ca -0.07 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.89 2wn1 h PRO 119 Cb 1.03 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2wn1 h PRO 119 CO 0.79 0.05 -0.67 0.00 -0.21 0.00 0.00 178.00 177.97 2wn1 h ARG 120 N 0.08 0.00 -6.49 1.05 3.08 -1.87 -3.41 114.38 106.83 2wn1 h ARG 120 Ca 0.07 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.59 2wn1 h ARG 120 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2wn1 h ARG 120 CO -0.01 0.67 0.36 -0.51 -1.07 0.00 0.00 179.97 179.41 2wn1 s LEU 121 N -6.96 4.44 -0.05 3.04 2.01 -1.07 -4.95 118.68 115.15 2wn1 s LEU 121 Ca 0.01 1.72 0.06 0.00 0.01 0.00 0.00 54.13 55.93 2wn1 s LEU 121 Cb 0.10 -3.57 -0.09 0.00 0.01 0.00 0.00 46.19 42.65 2wn1 s LEU 121 CO 0.76 -0.15 0.06 0.29 1.01 0.00 0.00 176.35 178.32 2wn1 n LYS 122 N 3.27 2.18 -3.85 1.70 4.76 -1.26 -1.38 118.16 123.57 2wn1 n LYS 122 Ca 0.04 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.35 2wn1 n LYS 122 Cb 0.50 -1.16 -0.08 0.00 -1.84 0.00 0.00 35.03 32.44 2wn1 n LYS 122 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2wn1 s SER 123 N -3.50 0.05 0.54 4.39 1.04 -1.26 -4.73 113.70 110.22 2wn1 s SER 123 Ca -0.03 -0.39 0.24 0.00 0.48 0.00 0.00 55.95 56.24 2wn1 s SER 123 Cb 0.03 0.29 1.41 0.00 0.10 0.00 0.00 66.02 67.84 2wn1 s SER 123 CO 0.27 -0.56 2.04 -0.07 0.98 0.00 0.00 173.24 175.90 2wn1 h LEU 124 N 3.44 0.00 -2.55 2.42 3.38 -1.97 -1.71 115.31 118.31 2wn1 h LEU 124 Ca -0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 2wn1 h LEU 124 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wn1 h LEU 124 CO 0.49 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.77 2wn1 h SER 125 N 0.00 0.00 0.69 -0.43 4.64 -1.96 0.29 113.55 116.78 2wn1 h SER 125 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2wn1 h SER 125 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2wn1 h SER 125 CO -0.00 0.02 -0.11 -0.62 -0.87 0.00 0.00 176.83 175.25 2wn1 n GLU 126 N -3.32 0.24 -0.01 4.77 1.02 -0.64 -4.02 120.64 118.69 2wn1 n GLU 126 Ca -0.02 -0.05 0.01 0.00 -0.02 0.00 0.00 57.16 57.07 2wn1 n GLU 126 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.01 2wn1 n GLU 126 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2wn1 n VAL 127 N -1.33 0.13 -2.15 2.62 0.31 0.01 -5.01 118.33 112.91 2wn1 n VAL 127 Ca 0.10 -0.15 -0.36 0.00 -0.01 0.00 0.00 64.34 63.92 2wn1 n VAL 127 Cb 0.31 -0.13 0.01 0.00 -0.91 0.00 0.00 33.84 33.12 2wn1 n VAL 127 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wn1 s LYS 128 N -2.26 3.33 -1.38 5.55 1.02 -0.71 -3.31 119.74 121.99 2wn1 s LYS 128 Ca -0.02 1.76 -0.09 0.00 0.02 0.00 0.00 55.97 57.63 2wn1 s LYS 128 Cb 0.03 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.25 2wn1 s LYS 128 CO 0.21 -0.90 1.17 1.04 -0.92 0.00 0.00 175.35 175.94 2wn1 n GLN 129 N -1.17 -7.79 -4.21 1.68 1.13 0.19 -5.01 117.38 102.20 2wn1 n GLN 129 Ca 0.11 0.82 -0.12 0.00 -1.94 0.00 0.00 57.00 55.86 2wn1 n GLN 129 Cb 0.49 -5.86 -0.10 0.00 0.11 0.00 0.00 30.24 24.88 2wn1 n GLN 129 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2wn1 s HIS 130 N -3.32 1.10 -0.19 1.08 3.76 -1.21 -3.84 115.29 112.68 2wn1 s HIS 130 Ca 0.59 -1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 54.29 2wn1 s HIS 130 Cb -0.26 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.75 2wn1 s HIS 130 CO 0.73 -0.30 0.26 0.00 -0.85 0.00 0.00 174.74 174.58 2wn1 s ALA 131 N -3.77 3.60 -0.30 -1.40 0.00 -1.07 -0.75 121.76 118.07 2wn1 s ALA 131 Ca 0.24 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 2wn1 s ALA 131 Cb 0.07 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.80 2wn1 s ALA 131 CO 0.03 -0.00 0.79 -1.17 0.00 0.00 0.00 175.76 175.41 2wn1 s LEU 132 N 0.68 4.08 -0.04 0.00 2.96 0.13 -0.65 118.68 125.84 2wn1 s LEU 132 Ca 0.14 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.76 2wn1 s LEU 132 Cb -0.13 -3.08 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 2wn1 s LEU 132 CO 0.03 -0.61 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.03 2wn1 s MET 133 N 2.96 2.58 -0.14 1.98 -2.45 0.12 -1.40 119.30 122.94 2wn1 s MET 133 Ca 0.33 -0.66 0.01 0.00 -1.25 0.00 0.00 55.69 54.12 2wn1 s MET 133 Cb -0.14 -2.47 0.02 0.00 1.25 0.00 0.00 34.83 33.48 2wn1 s MET 133 CO 0.12 0.63 -0.16 0.42 1.05 0.00 0.00 175.02 177.08 2wn1 s ILE 134 N -0.82 1.67 0.45 10.11 1.01 0.10 -2.54 121.20 131.18 2wn1 s ILE 134 Ca 0.13 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.11 2wn1 s ILE 134 Cb -0.11 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2wn1 s ILE 134 CO 0.02 0.48 0.64 -1.00 0.00 0.00 0.00 174.94 175.08 2wn1 s HIS 135 N 1.28 3.00 0.02 3.97 3.76 -0.65 -0.89 115.29 125.78 2wn1 s HIS 135 Ca 0.01 -0.08 -0.18 0.00 -0.15 0.00 0.00 55.06 54.66 2wn1 s HIS 135 Cb -0.14 -2.39 -0.28 0.00 1.11 0.00 0.00 32.58 30.89 2wn1 s HIS 135 CO -0.08 -0.45 1.06 0.00 -0.85 0.00 0.00 174.74 174.42 2wn1 h ALA 136 N 0.46 0.00 -1.71 -1.40 0.00 -1.30 -3.40 119.26 111.92 2wn1 h ALA 136 Ca -0.43 -0.70 -0.46 0.00 0.00 0.00 0.00 54.91 53.32 2wn1 h ALA 136 Cb 1.27 0.09 0.11 0.00 0.00 0.00 0.00 17.79 19.26 2wn1 h ALA 136 CO 0.52 0.53 0.23 0.20 0.00 0.00 0.00 179.25 180.73 2wn1 s GLY 137 N -4.33 1.76 0.00 0.00 0.00 0.62 -4.89 107.32 100.48 2wn1 s GLY 137 Ca -0.11 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2wn1 s GLY 137 CO 0.88 -0.83 0.00 0.61 0.00 0.00 0.00 173.10 173.76 2wn1 n GLY 138 N -3.15 0.66 3.24 0.20 0.00 -1.23 -0.72 105.19 104.19 2wn1 n GLY 138 Ca 0.14 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 2wn1 n GLY 138 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wn1 s ASP 139 N -1.00 -0.54 -0.09 1.61 -1.08 -1.23 -2.76 116.67 111.59 2wn1 s ASP 139 Ca 0.00 0.91 0.19 0.00 -0.52 0.00 0.00 52.55 53.13 2wn1 s ASP 139 Cb 0.00 1.65 0.70 0.00 -1.46 0.00 0.00 42.92 43.81 2wn1 s ASP 139 CO 0.00 -0.25 1.60 -0.46 0.52 0.00 0.00 175.17 176.58 2wn1 n ASN 140 N 5.40 4.52 -3.68 -0.34 6.94 -1.06 -4.84 115.26 122.20 2wn1 n ASN 140 Ca -0.07 -2.35 -0.25 0.00 -0.02 0.00 0.00 54.58 51.89 2wn1 n ASN 140 Cb 0.50 -0.56 0.06 0.00 -2.36 0.00 0.00 39.78 37.42 2wn1 n ASN 140 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2wn1 n TYR 141 N 1.22 -2.68 -3.70 -2.53 0.53 -1.26 -4.97 117.16 103.77 2wn1 n TYR 141 Ca 0.25 0.98 -0.09 0.00 -1.02 0.00 0.00 57.90 58.02 2wn1 n TYR 141 Cb 0.82 -4.75 -0.03 0.00 -1.03 0.00 0.00 39.34 34.36 2wn1 n TYR 141 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 2wn1 s SER 142 N -3.40 -0.34 0.00 7.72 0.15 -1.22 -3.91 113.70 112.70 2wn1 s SER 142 Ca 0.57 -0.41 0.25 0.00 0.70 0.00 0.00 55.95 57.06 2wn1 s SER 142 Cb -0.26 0.64 0.52 0.00 -1.71 0.00 0.00 66.02 65.21 2wn1 s SER 142 CO 0.76 -1.14 1.43 0.47 1.20 0.00 0.00 173.24 175.96 2wn1 n ASP 143 N -0.40 1.82 -4.25 5.45 8.00 -1.23 -0.25 116.55 125.70 2wn1 n ASP 143 Ca -0.09 -1.44 -0.29 0.00 0.71 0.00 0.00 54.79 53.68 2wn1 n ASP 143 Cb 0.62 0.16 -0.16 0.00 -0.02 0.00 0.00 41.12 41.72 2wn1 n ASP 143 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2wn1 s HIS 144 N -2.26 2.04 -1.56 1.24 3.76 -1.26 -3.35 115.29 113.90 2wn1 s HIS 144 Ca 0.27 -0.42 0.28 0.00 -0.15 0.00 0.00 55.06 55.04 2wn1 s HIS 144 Cb 0.20 -1.32 1.14 0.00 1.11 0.00 0.00 32.58 33.71 2wn1 s HIS 144 CO 0.44 -0.06 1.81 -0.35 -0.85 0.00 0.00 174.74 175.73 2wn1 n PRO 145 N 2.61 0.59 -4.65 8.40 -0.05 -1.26 -4.99 135.00 135.65 2wn1 n PRO 145 Ca -0.16 -0.21 -0.28 0.00 -0.05 0.00 0.00 63.50 62.79 2wn1 n PRO 145 Cb 0.52 -1.50 -0.14 0.00 -0.05 0.00 0.00 33.50 32.34 2wn1 n PRO 145 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 175.50 173.81 2wn1 s MET 146 N -2.56 1.54 0.62 0.54 -1.94 -1.22 -5.08 119.30 111.20 2wn1 s MET 146 Ca 0.26 -1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 52.90 2wn1 s MET 146 Cb 0.20 -1.80 -0.02 0.00 2.01 0.00 0.00 34.83 35.21 2wn1 s MET 146 CO 0.50 0.45 1.31 -2.30 -0.01 0.00 0.00 175.02 174.97 2wn1 n PRO 147 N 1.48 1.27 -4.02 2.03 -0.02 -1.21 -3.36 135.00 131.17 2wn1 n PRO 147 Ca -0.18 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 2wn1 n PRO 147 Cb 0.53 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 2wn1 n PRO 147 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wn1 n LEU 148 N -1.65 -2.20 0.00 2.45 4.77 -1.26 -1.14 117.00 117.98 2wn1 n LEU 148 Ca 0.14 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 2wn1 n LEU 148 Cb 0.47 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.26 2wn1 n LEU 148 CO 0.49 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2wn1 n GLY 149 N -1.67 0.54 1.63 -0.72 0.00 0.65 -2.69 105.19 102.93 2wn1 n GLY 149 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2wn1 n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wn1 n GLY 150 N -1.97 0.51 0.29 -0.02 0.00 -0.29 -2.55 105.19 101.16 2wn1 n GLY 150 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 45.10 2wn1 n GLY 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wn1 h GLY 151 N 0.00 1.03 0.00 -0.02 0.00 -1.32 -3.30 103.07 99.46 2wn1 h GLY 151 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2wn1 h GLY 151 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 176.54 177.52 2wn1 n GLY 152 N -1.30 1.96 3.69 4.60 0.00 -1.26 -0.28 105.19 112.60 2wn1 n GLY 152 Ca 0.07 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2wn1 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wn1 n ALA 153 N 9.18 0.81 -2.64 4.61 0.00 -1.26 -4.77 120.51 126.43 2wn1 n ALA 153 Ca 0.00 0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 2wn1 n ALA 153 Cb 0.00 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.14 2wn1 n ALA 153 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wn1 s ARG 154 N -3.09 4.13 -0.03 0.00 0.52 -1.26 -1.61 118.95 117.60 2wn1 s ARG 154 Ca 0.79 0.42 0.06 0.00 -0.52 0.00 0.00 55.73 56.48 2wn1 s ARG 154 Cb -0.40 -3.61 -0.09 0.00 0.52 0.00 0.00 34.95 31.37 2wn1 s ARG 154 CO 0.44 -0.28 0.09 -0.12 0.02 0.00 0.00 175.30 175.45 2wn1 n MET 155 N 5.24 1.51 -3.79 3.54 0.00 -0.07 -4.75 117.12 118.80 2wn1 n MET 155 Ca -0.03 -0.03 -0.13 0.00 -0.00 0.00 0.00 57.70 57.51 2wn1 n MET 155 Cb 0.50 -1.16 -0.09 0.00 0.00 0.00 0.00 33.22 32.47 2wn1 n MET 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2wn1 s ALA 156 N -2.31 -0.65 0.10 -5.12 0.00 -0.57 -0.27 121.76 112.94 2wn1 s ALA 156 Ca -0.03 0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 2wn1 s ALA 156 Cb 0.03 0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2wn1 s ALA 156 CO 0.26 -0.26 0.49 0.00 0.00 0.00 0.00 175.76 176.25 2wn1 s GLY 158 N -2.43 -0.57 -0.11 0.00 0.00 -0.50 -0.65 107.32 103.07 2wn1 s GLY 158 Ca -0.01 2.48 -0.25 0.00 0.00 0.00 0.00 44.72 46.94 2wn1 s GLY 158 CO -0.08 2.40 0.80 0.14 0.00 0.00 0.00 173.10 176.36 2wn1 s VAL 159 N 1.55 4.94 -0.46 1.40 1.01 -1.26 0.18 120.40 127.76 2wn1 s VAL 159 Ca -0.09 1.61 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 2wn1 s VAL 159 Cb -0.05 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.24 2wn1 s VAL 159 CO -0.19 0.13 0.95 -0.63 0.00 0.00 0.00 175.10 175.36 2wn1 s ILE 160 N 1.50 4.45 -1.95 2.22 1.01 0.07 -4.72 121.20 123.78 2wn1 s ILE 160 Ca 0.40 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.85 2wn1 s ILE 160 Cb -0.18 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2wn1 s ILE 160 CO 0.17 -0.84 0.49 -1.84 0.00 0.00 0.00 174.94 172.91