#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnj h HIS 1 N 0.00 0.51 -0.47 -1.77 3.86 -2.05 0.11 115.15 115.34 2wnj h HIS 1 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2wnj h HIS 1 Cb 0.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 2wnj h HIS 1 CO 0.00 0.22 0.26 0.66 0.86 0.00 0.00 177.93 179.94 2wnj h SER 2 N 0.53 0.58 -0.40 2.45 4.64 -1.98 0.10 113.55 119.46 2wnj h SER 2 Ca 0.26 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2wnj h SER 2 Cb 0.20 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2wnj h SER 2 CO -0.20 0.49 0.25 1.56 -0.87 0.00 0.00 176.83 178.07 2wnj h GLN 3 N 0.62 0.54 -0.63 4.77 4.20 -1.88 -1.55 115.11 121.17 2wnj h GLN 3 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2wnj h GLN 3 Cb 0.04 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2wnj h GLN 3 CO -0.03 0.38 0.39 0.00 -0.67 0.00 0.00 178.83 178.90 2wnj h ALA 4 N 1.13 0.80 -0.76 3.87 0.00 -0.50 -1.48 119.26 122.31 2wnj h ALA 4 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2wnj h ALA 4 Cb -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 2wnj h ALA 4 CO -0.03 0.26 0.47 -0.91 0.00 0.00 0.00 179.25 179.05 2wnj h ASN 5 N 0.85 0.77 -0.36 0.00 2.35 -0.54 -0.97 115.58 117.69 2wnj h ASN 5 Ca 0.23 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2wnj h ASN 5 Cb -0.04 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 2wnj h ASN 5 CO -0.04 0.52 -0.42 0.25 -1.65 0.00 0.00 177.43 176.09 2wnj h LEU 6 N 0.91 0.99 -0.74 1.61 5.85 -0.98 -1.04 115.31 121.91 2wnj h LEU 6 Ca 0.31 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 2wnj h LEU 6 Cb 0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2wnj h LEU 6 CO -0.13 1.27 0.30 0.24 -0.34 0.00 0.00 178.44 179.78 2wnj h MET 7 N 0.73 1.10 -0.26 1.25 2.86 -1.08 -1.04 114.93 118.49 2wnj h MET 7 Ca 0.05 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 2wnj h MET 7 Cb 1.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 2wnj h MET 7 CO 0.10 0.90 0.10 -0.09 1.06 0.00 0.00 176.91 178.98 2wnj h ARG 8 N 1.06 0.40 0.10 1.72 2.43 -1.07 0.85 114.38 119.87 2wnj h ARG 8 Ca 0.25 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 2wnj h ARG 8 Cb 0.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2wnj h ARG 8 CO -0.02 0.44 -0.15 1.25 -1.51 0.00 0.00 179.97 179.97 2wnj h LEU 9 N 0.27 -0.42 -0.91 3.80 5.85 -0.95 0.26 115.31 123.20 2wnj h LEU 9 Ca 0.09 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wnj h LEU 9 Cb 0.19 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2wnj h LEU 9 CO -0.01 -0.23 0.55 0.11 -0.34 0.00 0.00 178.44 178.52 2wnj h LYS 10 N -0.31 1.23 -0.37 1.25 1.57 -1.05 0.41 116.57 119.30 2wnj h LYS 10 Ca 0.02 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2wnj h LYS 10 Cb 0.32 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2wnj h LYS 10 CO -0.08 0.86 0.11 1.03 -0.57 0.00 0.00 179.45 180.80 2wnj h SER 11 N 1.25 0.55 -0.61 0.86 0.87 -0.52 0.15 113.55 116.10 2wnj h SER 11 Ca 0.33 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2wnj h SER 11 Cb -0.05 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.73 2wnj h SER 11 CO -0.06 0.61 0.37 0.44 -0.53 0.00 0.00 176.83 177.67 2wnj h ASP 12 N 0.45 0.72 -0.18 6.23 3.32 -0.05 -1.25 116.42 125.68 2wnj h ASP 12 Ca 0.12 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.99 2wnj h ASP 12 Cb 0.26 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2wnj h ASP 12 CO -0.00 0.56 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.61 2wnj h LEU 13 N 0.82 0.65 0.00 1.55 3.38 -0.79 -3.05 115.31 117.88 2wnj h LEU 13 Ca 0.22 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2wnj h LEU 13 Cb -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2wnj h LEU 13 CO -0.04 1.10 -0.19 0.49 0.09 0.00 0.00 178.44 179.89 2wnj n PHE 14 N -4.27 0.03 0.00 1.13 0.99 0.50 -3.89 117.46 111.95 2wnj n PHE 14 Ca -0.06 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2wnj n PHE 14 Cb 0.53 -0.14 0.00 0.00 -1.00 0.00 0.00 39.48 38.87 2wnj n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2wnj n ASN 15 N -2.87 0.00 0.00 4.37 5.03 -0.48 -4.15 115.26 117.16 2wnj n ASN 15 Ca -0.03 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.62 2wnj n ASN 15 Cb 0.10 -0.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 2wnj n ASN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wnj n ARG 16 N -1.19 0.00 -2.19 3.52 1.74 -1.16 -5.02 116.66 112.36 2wnj n ARG 16 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2wnj n ARG 16 Cb 0.00 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 2wnj n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wnj s SER 17 N -3.59 5.70 0.88 0.55 1.04 -1.15 -4.89 113.70 112.23 2wnj s SER 17 Ca 0.00 2.28 -0.15 0.00 0.48 0.00 0.00 55.95 58.56 2wnj s SER 17 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2wnj s SER 17 CO 0.00 -1.24 0.10 -2.65 0.98 0.00 0.00 173.24 170.42 2wnj n PRO 18 N -1.15 -0.05 -3.43 4.02 -0.02 -1.26 -4.87 135.00 128.24 2wnj n PRO 18 Ca 0.11 0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.28 2wnj n PRO 18 Cb 0.50 -1.58 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 2wnj n PRO 18 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2wnj s MET 19 N -2.83 3.81 -0.35 -0.52 1.75 -1.26 -5.04 119.30 114.86 2wnj s MET 19 Ca 0.55 0.28 -0.21 0.00 -1.25 0.00 0.00 55.69 55.06 2wnj s MET 19 Cb -0.26 -2.71 0.00 0.00 2.84 0.00 0.00 34.83 34.71 2wnj s MET 19 CO 0.69 0.36 0.65 -0.47 -0.65 0.00 0.00 175.02 175.60 2wnj s TYR 20 N -1.75 3.16 -0.58 4.11 5.04 -1.26 -4.96 117.35 121.11 2wnj s TYR 20 Ca 0.45 0.41 0.07 0.00 -2.44 0.00 0.00 57.07 55.56 2wnj s TYR 20 Cb -0.12 -3.15 0.43 0.00 0.35 0.00 0.00 41.96 39.48 2wnj s TYR 20 CO 0.21 -0.61 1.18 -0.35 -1.34 0.00 0.00 175.55 174.64 2wnj n PRO 21 N 6.06 2.98 0.00 4.97 -0.04 -1.26 -4.91 135.00 142.80 2wnj n PRO 21 Ca -0.01 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2wnj n PRO 21 Cb 0.49 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2wnj n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnj n GLY 22 N 0.28 -0.39 3.80 0.55 0.00 -1.26 -5.00 105.19 103.17 2wnj n GLY 22 Ca 0.16 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 2wnj n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wnj s PRO 23 N -2.24 2.98 0.22 1.61 0.04 -1.26 -5.04 135.00 131.30 2wnj s PRO 23 Ca 0.00 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2wnj s PRO 23 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2wnj s PRO 23 CO 0.00 -1.08 0.22 0.95 0.04 0.00 0.00 177.00 177.13 2wnj s THR 24 N -2.65 0.00 0.38 1.26 -4.23 -0.88 -4.98 115.64 104.54 2wnj s THR 24 Ca 0.62 -1.86 0.09 0.00 -1.18 0.00 0.00 61.69 59.36 2wnj s THR 24 Cb -0.16 -2.44 0.32 0.00 1.34 0.00 0.00 72.50 71.55 2wnj s THR 24 CO 0.45 0.00 1.92 0.07 -0.54 0.00 0.00 174.62 176.53 2wnj h LYS 25 N 2.51 0.63 -0.00 3.99 2.10 -1.92 -0.26 116.57 123.61 2wnj h LYS 25 Ca -0.33 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2wnj h LYS 25 Cb 1.25 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2wnj h LYS 25 CO 0.48 0.41 -0.22 -0.25 -2.00 0.00 0.00 179.45 177.88 2wnj n ASP 26 N -4.50 0.40 -2.98 7.07 8.00 -1.26 -4.33 116.55 118.94 2wnj n ASP 26 Ca 0.13 -0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.26 2wnj n ASP 26 Cb 0.37 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2wnj n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wnj n ASP 27 N -1.24 -1.01 -4.83 -2.24 2.03 -0.24 -5.14 116.55 103.87 2wnj n ASP 27 Ca 0.10 -3.12 -0.30 0.00 0.52 0.00 0.00 54.79 51.99 2wnj n ASP 27 Cb 0.32 0.53 0.06 0.00 -0.72 0.00 0.00 41.12 41.31 2wnj n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wnj s PRO 28 N -0.66 2.58 0.02 -0.67 0.04 -0.43 -2.08 135.00 133.80 2wnj s PRO 28 Ca 0.33 0.66 0.05 0.00 0.04 0.00 0.00 61.00 62.09 2wnj s PRO 28 Cb 0.25 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.80 2wnj s PRO 28 CO -0.13 -1.28 -0.16 -1.17 0.04 0.00 0.00 177.00 174.30 2wnj s LEU 29 N -5.57 2.11 -0.19 -3.56 2.96 0.28 -4.92 118.68 109.78 2wnj s LEU 29 Ca 0.59 -0.39 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2wnj s LEU 29 Cb -0.13 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 2wnj s LEU 29 CO 0.54 0.13 0.00 -0.89 -1.32 0.00 0.00 176.35 174.81 2wnj s THR 30 N -0.62 4.06 -0.21 3.68 2.01 -1.26 -0.93 115.64 122.37 2wnj s THR 30 Ca 0.05 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 2wnj s THR 30 Cb -0.07 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.58 2wnj s THR 30 CO 0.01 0.44 0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 2wnj s VAL 31 N 0.82 4.41 -0.04 3.82 1.01 0.09 -4.56 120.40 125.95 2wnj s VAL 31 Ca 0.01 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 2wnj s VAL 31 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2wnj s VAL 31 CO 0.02 0.41 0.69 -0.89 0.00 0.00 0.00 175.10 175.33 2wnj s THR 32 N 0.95 4.98 0.02 3.92 2.01 0.64 -1.99 115.64 126.15 2wnj s THR 32 Ca 0.03 1.44 0.06 0.00 0.31 0.00 0.00 61.69 63.53 2wnj s THR 32 Cb -0.14 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 2wnj s THR 32 CO 0.03 0.30 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.31 2wnj s LEU 33 N 0.51 2.10 0.09 4.42 1.43 0.43 -1.35 118.68 126.32 2wnj s LEU 33 Ca 0.37 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 2wnj s LEU 33 Cb -0.18 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.17 2wnj s LEU 33 CO 0.19 0.17 0.32 -0.83 0.23 0.00 0.00 176.35 176.42 2wnj s GLY 34 N -0.80 -0.13 0.03 -3.19 0.00 -0.72 -4.31 107.32 98.20 2wnj s GLY 34 Ca 0.06 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.68 2wnj s GLY 34 CO 0.01 -0.40 -0.21 -1.36 0.00 0.00 0.00 173.10 171.13 2wnj s PHE 35 N -3.41 1.87 -0.28 1.90 0.08 -1.26 -1.04 117.98 115.84 2wnj s PHE 35 Ca 0.01 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.71 2wnj s PHE 35 Cb 0.02 -1.14 0.07 0.00 -0.57 0.00 0.00 43.02 41.40 2wnj s PHE 35 CO -0.09 0.06 -0.04 0.99 -0.10 0.00 0.00 175.22 176.04 2wnj s THR 36 N -0.72 1.99 -0.12 0.64 2.01 -0.31 -1.17 115.64 117.97 2wnj s THR 36 Ca 0.08 -1.75 -0.23 0.00 0.31 0.00 0.00 61.69 60.10 2wnj s THR 36 Cb -0.09 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2wnj s THR 36 CO 0.01 -0.25 0.71 -0.22 -0.69 0.00 0.00 174.62 174.17 2wnj s LEU 37 N 1.13 4.24 -0.18 4.42 2.96 -0.73 -0.85 118.68 129.68 2wnj s LEU 37 Ca -0.01 1.09 0.09 0.00 -0.22 0.00 0.00 54.13 55.08 2wnj s LEU 37 Cb -0.19 -3.06 -0.17 0.00 0.50 0.00 0.00 46.19 43.27 2wnj s LEU 37 CO -0.07 -0.21 -0.04 0.00 -1.32 0.00 0.00 176.35 174.70 2wnj n GLN 38 N 4.39 1.04 -3.64 1.98 6.02 0.15 -3.38 117.38 123.95 2wnj n GLN 38 Ca -0.00 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 2wnj n GLN 38 Cb 0.50 -1.40 -0.07 0.00 1.02 0.00 0.00 30.24 30.29 2wnj n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wnj s ASP 39 N -5.37 -0.47 -0.48 1.08 2.15 -0.73 -0.69 116.67 112.17 2wnj s ASP 39 Ca -0.16 0.88 -0.21 0.00 0.43 0.00 0.00 52.55 53.49 2wnj s ASP 39 Cb 0.06 0.93 0.04 0.00 -0.30 0.00 0.00 42.92 43.64 2wnj s ASP 39 CO 0.57 -0.15 0.71 -0.63 -0.17 0.00 0.00 175.17 175.50 2wnj s ILE 40 N 0.37 4.74 -0.03 4.11 1.01 -1.26 -0.38 121.20 129.75 2wnj s ILE 40 Ca 0.02 0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 2wnj s ILE 40 Cb -0.05 -4.31 -0.32 0.00 0.01 0.00 0.00 42.46 37.80 2wnj s ILE 40 CO -0.07 -0.76 0.85 0.58 0.00 0.00 0.00 174.94 175.54 2wnj h VAL 41 N 5.91 1.32 -2.87 2.92 2.07 -1.16 -3.40 116.25 121.04 2wnj h VAL 41 Ca -0.26 -2.56 -0.14 0.00 0.82 0.00 0.00 66.70 64.56 2wnj h VAL 41 Cb 1.09 3.05 -0.25 0.00 -1.52 0.00 0.00 31.29 33.66 2wnj h VAL 41 CO 0.96 0.75 -0.32 -0.75 0.02 0.00 0.00 177.57 178.23 2wnj s LYS 42 N -2.50 0.40 -0.14 1.57 2.20 -1.21 -4.87 119.74 115.18 2wnj s LYS 42 Ca -0.13 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2wnj s LYS 42 Cb 0.03 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 2wnj s LYS 42 CO 0.86 -0.07 -0.13 0.00 -0.36 0.00 0.00 175.35 175.65 2wnj s ALA 43 N 0.38 1.75 -0.39 3.13 0.00 -1.26 -0.85 121.76 124.51 2wnj s ALA 43 Ca -0.02 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 2wnj s ALA 43 Cb -0.04 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.13 2wnj s ALA 43 CO -0.01 -0.39 0.20 0.34 0.00 0.00 0.00 175.76 175.90 2wnj s ASP 44 N 1.53 5.46 0.00 0.00 -1.08 -0.07 -4.94 116.67 117.57 2wnj s ASP 44 Ca 0.05 -1.50 0.28 0.00 -0.52 0.00 0.00 52.55 50.86 2wnj s ASP 44 Cb -0.13 -1.92 1.38 0.00 -1.46 0.00 0.00 42.92 40.80 2wnj s ASP 44 CO -0.10 -0.48 1.96 -1.54 0.52 0.00 0.00 175.17 175.53 2wnj n SER 45 N 4.82 0.00 0.14 -0.34 3.41 -1.26 -0.65 113.62 119.74 2wnj n SER 45 Ca -0.09 0.01 0.06 0.00 -0.26 0.00 0.00 58.87 58.58 2wnj n SER 45 Cb 0.43 -0.33 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2wnj n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wnj h SER 46 N 0.00 0.00 0.00 4.04 4.64 -1.96 -3.38 113.55 116.90 2wnj h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnj h SER 46 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2wnj h SER 46 CO 0.00 0.33 0.00 0.35 -0.87 0.00 0.00 176.83 176.64 2wnj n THR 47 N -3.06 0.00 -3.59 2.95 -2.24 -1.17 -5.03 114.28 102.13 2wnj n THR 47 Ca 0.00 -0.37 -0.26 0.00 -2.27 0.00 0.00 64.05 61.15 2wnj n THR 47 Cb 0.68 1.11 0.05 0.00 -2.10 0.00 0.00 70.33 70.06 2wnj n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wnj n ASN 48 N -0.44 -4.96 -4.16 3.42 3.02 0.18 -4.92 115.26 107.40 2wnj n ASN 48 Ca 0.00 -0.92 -0.26 0.00 -0.03 0.00 0.00 54.58 53.37 2wnj n ASN 48 Cb 0.03 -3.89 -0.16 0.00 -0.61 0.00 0.00 39.78 35.15 2wnj n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnj s GLU 49 N -5.62 1.67 0.01 3.52 2.02 -1.11 -1.35 118.70 117.83 2wnj s GLU 49 Ca 0.40 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.82 2wnj s GLU 49 Cb -0.12 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.57 2wnj s GLU 49 CO 0.83 0.32 -0.22 0.08 0.02 0.00 0.00 175.26 176.29 2wnj s VAL 50 N -0.19 1.74 -0.23 2.63 1.01 -0.46 -0.90 120.40 124.01 2wnj s VAL 50 Ca 0.01 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 2wnj s VAL 50 Cb -0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2wnj s VAL 50 CO 0.01 0.39 0.02 -1.81 0.00 0.00 0.00 175.10 173.71 2wnj s ASP 51 N -0.77 4.86 0.08 3.32 1.11 -0.03 -1.39 116.67 123.85 2wnj s ASP 51 Ca 0.08 -0.24 0.06 0.00 0.18 0.00 0.00 52.55 52.64 2wnj s ASP 51 Cb -0.09 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.01 2wnj s ASP 51 CO 0.00 0.01 -0.08 -0.76 1.18 0.00 0.00 175.17 175.51 2wnj s LEU 52 N 1.35 3.10 -0.11 1.23 1.43 -0.11 -0.51 118.68 125.07 2wnj s LEU 52 Ca 0.05 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2wnj s LEU 52 Cb -0.15 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.21 2wnj s LEU 52 CO 0.01 0.20 -0.22 -0.69 0.23 0.00 0.00 176.35 175.88 2wnj s VAL 53 N -1.18 1.95 0.21 -1.59 1.01 0.48 -0.93 120.40 120.35 2wnj s VAL 53 Ca 0.21 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2wnj s VAL 53 Cb -0.11 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2wnj s VAL 53 CO 0.13 0.53 0.54 -0.72 0.00 0.00 0.00 175.10 175.58 2wnj s TYR 54 N 0.55 -0.06 0.15 5.22 -0.85 -0.53 -0.67 117.35 121.16 2wnj s TYR 54 Ca -0.14 -0.30 0.10 0.00 -0.52 0.00 0.00 57.07 56.21 2wnj s TYR 54 Cb -0.17 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 2wnj s TYR 54 CO 0.05 -0.97 -0.19 1.52 -1.52 0.00 0.00 175.55 174.44 2wnj s TYR 55 N -3.90 2.46 -0.29 -3.49 -0.85 -0.03 -0.51 117.35 110.73 2wnj s TYR 55 Ca 0.11 -0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.34 2wnj s TYR 55 Cb -0.02 -1.26 0.04 0.00 0.38 0.00 0.00 41.96 41.10 2wnj s TYR 55 CO -0.00 0.43 0.00 -2.00 -1.52 0.00 0.00 175.55 172.47 2wnj s GLU 56 N -2.41 2.56 -0.15 -3.49 2.12 -0.50 -1.16 118.70 115.67 2wnj s GLU 56 Ca 0.19 -1.18 -0.24 0.00 0.36 0.00 0.00 54.97 54.10 2wnj s GLU 56 Cb -0.09 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 2wnj s GLU 56 CO 0.10 -0.57 0.77 -1.14 -0.54 0.00 0.00 175.26 173.88 2wnj s GLN 57 N 1.29 4.31 -0.05 4.30 0.74 -0.21 -2.85 119.66 127.20 2wnj s GLN 57 Ca -0.04 0.91 0.06 0.00 0.05 0.00 0.00 55.36 56.34 2wnj s GLN 57 Cb -0.19 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 2wnj s GLN 57 CO -0.01 -0.23 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.62 2wnj s GLN 58 N 1.82 2.36 -0.06 1.67 -0.21 0.18 -1.75 119.66 123.66 2wnj s GLN 58 Ca 0.36 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.86 2wnj s GLN 58 Cb -0.17 -2.02 0.03 0.00 1.00 0.00 0.00 33.01 31.85 2wnj s GLN 58 CO 0.13 0.36 0.15 0.50 -2.12 0.00 0.00 175.29 174.31 2wnj s ARG 59 N -0.15 0.14 0.33 2.91 3.52 -0.45 -0.84 118.95 124.41 2wnj s ARG 59 Ca -0.03 0.28 -0.06 0.00 -0.13 0.00 0.00 55.73 55.79 2wnj s ARG 59 Cb -0.13 -0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.24 2wnj s ARG 59 CO 0.03 -0.08 0.52 1.67 -0.81 0.00 0.00 175.30 176.63 2wnj s TRP 60 N 0.57 0.81 -0.06 5.12 -2.14 -0.90 -0.26 118.94 122.08 2wnj s TRP 60 Ca -0.04 -1.13 -0.02 0.00 2.66 0.00 0.00 56.10 57.56 2wnj s TRP 60 Cb -0.06 0.09 0.03 0.00 -3.10 0.00 0.00 33.47 30.44 2wnj s TRP 60 CO -0.03 -1.17 0.12 0.21 -2.66 0.00 0.00 176.95 173.42 2wnj s LYS 61 N -3.10 0.07 -0.07 3.25 2.20 -1.26 0.33 119.74 121.15 2wnj s LYS 61 Ca 0.27 0.32 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 2wnj s LYS 61 Cb -0.01 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.14 2wnj s LYS 61 CO 0.17 -0.15 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.33 2wnj s LEU 62 N 1.06 1.84 0.43 5.43 1.43 -0.12 -4.95 118.68 123.80 2wnj s LEU 62 Ca -0.08 -0.40 0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2wnj s LEU 62 Cb -0.11 -1.05 0.99 0.00 0.03 0.00 0.00 46.19 46.05 2wnj s LEU 62 CO -0.05 0.10 2.03 0.78 0.23 0.00 0.00 176.35 179.44 2wnj h ASN 63 N 6.78 0.37 0.62 2.29 2.35 -1.89 -2.24 115.58 123.85 2wnj h ASN 63 Ca -0.27 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2wnj h ASN 63 Cb 1.20 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.49 2wnj h ASN 63 CO 0.47 0.25 0.00 0.77 -1.65 0.00 0.00 177.43 177.27 2wnj h SER 64 N 0.42 0.00 -0.68 5.81 4.64 -1.95 -2.40 113.55 119.39 2wnj h SER 64 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2wnj h SER 64 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2wnj h SER 64 CO -0.05 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.09 2wnj n LEU 65 N -2.62 4.34 -4.83 5.97 4.77 -0.84 -4.97 117.00 118.81 2wnj n LEU 65 Ca 0.00 -2.18 -0.34 0.00 -0.03 0.00 0.00 56.01 53.46 2wnj n LEU 65 Cb 0.20 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 2wnj n LEU 65 CO 0.21 0.88 0.46 -0.04 -1.33 0.00 0.00 177.39 177.56 2wnj s MET 66 N -1.47 4.14 0.18 3.23 -1.94 -0.91 -3.88 119.30 118.66 2wnj s MET 66 Ca 0.50 0.82 -0.13 0.00 -1.71 0.00 0.00 55.69 55.17 2wnj s MET 66 Cb 0.29 -2.58 0.01 0.00 2.01 0.00 0.00 34.83 34.56 2wnj s MET 66 CO 0.28 0.22 0.40 1.67 -0.01 0.00 0.00 175.02 177.59 2wnj s TRP 67 N -1.83 0.17 -0.36 -0.03 -2.14 -0.87 -4.96 118.94 108.92 2wnj s TRP 67 Ca 0.51 -0.53 -0.16 0.00 2.66 0.00 0.00 56.10 58.58 2wnj s TRP 67 Cb -0.13 0.16 -0.00 0.00 -3.10 0.00 0.00 33.47 30.40 2wnj s TRP 67 CO 0.19 -0.83 0.41 0.34 -2.66 0.00 0.00 176.95 174.40 2wnj s ASP 68 N -2.93 6.21 0.41 -2.66 -1.08 -1.26 -4.68 116.67 110.68 2wnj s ASP 68 Ca 0.14 -0.29 0.15 0.00 -0.52 0.00 0.00 52.55 52.03 2wnj s ASP 68 Cb 0.01 -2.22 1.01 0.00 -1.46 0.00 0.00 42.92 40.27 2wnj s ASP 68 CO -0.01 -0.42 1.89 -0.65 0.52 0.00 0.00 175.17 176.50 2wnj h PRO 69 N 8.52 0.46 0.00 4.34 0.11 -1.94 -0.96 132.00 142.52 2wnj h PRO 69 Ca -0.29 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2wnj h PRO 69 Cb 1.13 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2wnj h PRO 69 CO 0.73 0.30 -0.01 -0.91 -0.21 0.00 0.00 178.00 177.91 2wnj h ASN 70 N 0.47 0.00 0.29 -2.05 2.35 -1.93 0.30 115.58 115.01 2wnj h ASN 70 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2wnj h ASN 70 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2wnj h ASN 70 CO -0.15 0.01 -0.29 -0.62 -1.65 0.00 0.00 177.43 174.73 2wnj n GLU 71 N -3.42 0.69 -2.61 0.81 -0.58 -0.37 -4.23 120.64 110.94 2wnj n GLU 71 Ca -0.03 -0.40 -0.12 0.00 -0.42 0.00 0.00 57.16 56.20 2wnj n GLU 71 Cb 0.09 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.50 2wnj n GLU 71 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2wnj n TYR 72 N -0.81 1.74 -2.81 -0.32 4.01 -0.31 -4.98 117.16 113.68 2wnj n TYR 72 Ca 0.11 -2.64 -0.21 0.00 -0.16 0.00 0.00 57.90 55.00 2wnj n TYR 72 Cb 0.34 -0.28 0.01 0.00 -0.31 0.00 0.00 39.34 39.10 2wnj n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wnj n GLY 73 N -0.33 -0.51 2.35 2.72 0.00 -1.13 -2.25 105.19 106.04 2wnj n GLY 73 Ca 0.17 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 2wnj n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wnj n ASN 74 N -2.28 -5.02 -4.69 1.61 3.02 0.90 -4.97 115.26 103.83 2wnj n ASN 74 Ca -0.15 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 2wnj n ASN 74 Cb 0.63 -4.10 -0.03 0.00 -0.61 0.00 0.00 39.78 35.68 2wnj n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wnj s ILE 75 N -2.81 3.53 -0.16 2.41 1.01 -0.95 -4.90 121.20 119.32 2wnj s ILE 75 Ca 0.00 0.94 0.12 0.00 0.00 0.00 0.00 60.65 61.71 2wnj s ILE 75 Cb 0.00 -3.61 -0.17 0.00 0.01 0.00 0.00 42.46 38.69 2wnj s ILE 75 CO 0.00 0.00 0.33 0.35 0.00 0.00 0.00 174.94 175.62 2wnj n THR 76 N 4.64 0.00 -3.59 2.92 -2.24 -1.26 -4.35 114.28 110.40 2wnj n THR 76 Ca 0.14 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 2wnj n THR 76 Cb 0.43 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 2wnj n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wnj s ASP 77 N -3.06 -0.44 0.08 3.42 1.47 -1.26 -0.81 116.67 116.08 2wnj s ASP 77 Ca -0.02 -0.24 -0.13 0.00 1.18 0.00 0.00 52.55 53.34 2wnj s ASP 77 Cb 0.08 0.63 0.02 0.00 -0.34 0.00 0.00 42.92 43.31 2wnj s ASP 77 CO 0.50 -1.08 0.29 0.72 0.68 0.00 0.00 175.17 176.28 2wnj s PHE 78 N -3.81 -0.04 -0.02 2.11 -0.12 0.28 -4.99 117.98 111.38 2wnj s PHE 78 Ca 0.05 -0.25 -0.14 0.00 -0.05 0.00 0.00 56.93 56.53 2wnj s PHE 78 Cb -0.02 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 2wnj s PHE 78 CO -0.06 -0.58 0.39 1.03 -0.05 0.00 0.00 175.22 175.95 2wnj s ARG 79 N -3.40 3.93 0.03 1.99 3.00 -1.26 -0.76 118.95 122.48 2wnj s ARG 79 Ca 0.01 0.37 -0.11 0.00 0.00 0.00 0.00 55.73 56.01 2wnj s ARG 79 Cb 0.02 -3.24 0.01 0.00 0.00 0.00 0.00 34.95 31.74 2wnj s ARG 79 CO -0.09 0.65 0.23 -0.08 0.00 0.00 0.00 175.30 176.01 2wnj s THR 80 N -0.92 0.09 0.27 0.02 -1.32 -0.16 -4.97 115.64 108.65 2wnj s THR 80 Ca 0.23 -0.77 -0.30 0.00 -1.21 0.00 0.00 61.69 59.64 2wnj s THR 80 Cb -0.16 -0.84 -0.13 0.00 -1.51 0.00 0.00 72.50 69.86 2wnj s THR 80 CO 0.12 -0.43 1.43 -0.24 -2.21 0.00 0.00 174.62 173.30 2wnj n SER 81 N 0.80 3.04 0.24 8.08 2.88 -1.26 -0.51 113.62 126.90 2wnj n SER 81 Ca -0.19 1.16 0.17 0.00 -1.33 0.00 0.00 58.87 58.67 2wnj n SER 81 Cb 0.58 -1.48 0.87 0.00 -0.75 0.00 0.00 64.21 63.43 2wnj n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wnj h ALA 82 N 4.02 1.67 0.00 -1.46 0.00 -1.30 -0.70 119.26 121.50 2wnj h ALA 82 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wnj h ALA 82 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wnj h ALA 82 CO 0.74 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2wnj h ALA 83 N 1.80 1.00 0.00 0.00 0.00 -1.89 -2.93 119.26 117.24 2wnj h ALA 83 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wnj h ALA 83 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wnj h ALA 83 CO -0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2wnj n ASP 84 N -2.81 0.65 -4.23 0.00 8.00 -0.27 -4.88 116.55 113.00 2wnj n ASP 84 Ca 0.01 0.58 -0.13 0.00 0.71 0.00 0.00 54.79 55.96 2wnj n ASP 84 Cb 0.28 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.53 2wnj n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wnj s ILE 85 N -3.13 0.53 0.30 0.53 -4.36 -1.11 -5.03 121.20 108.93 2wnj s ILE 85 Ca 0.10 -1.97 -0.29 0.00 -0.26 0.00 0.00 60.65 58.23 2wnj s ILE 85 Cb 0.12 -2.15 -0.10 0.00 1.25 0.00 0.00 42.46 41.58 2wnj s ILE 85 CO 0.53 -0.43 1.29 0.86 0.24 0.00 0.00 174.94 177.44 2wnj s TRP 86 N -3.76 3.13 0.06 1.37 -0.00 -1.26 -4.95 118.94 113.53 2wnj s TRP 86 Ca 0.25 1.39 0.04 0.00 -0.00 0.00 0.00 56.10 57.78 2wnj s TRP 86 Cb 0.07 -3.64 -0.03 0.00 -0.00 0.00 0.00 33.47 29.87 2wnj s TRP 86 CO 0.04 -1.78 -0.11 0.95 -0.00 0.00 0.00 176.95 176.06 2wnj s THR 87 N -0.88 0.82 0.45 5.86 -4.23 -1.26 -5.10 115.64 111.29 2wnj s THR 87 Ca 0.50 -1.20 -0.23 0.00 -1.18 0.00 0.00 61.69 59.59 2wnj s THR 87 Cb -0.39 -0.84 -0.08 0.00 1.34 0.00 0.00 72.50 72.53 2wnj s THR 87 CO 0.49 -0.31 1.11 -2.16 -0.54 0.00 0.00 174.62 173.21 2wnj s PRO 88 N -1.67 3.87 -0.51 3.99 0.04 -1.26 -4.93 135.00 134.53 2wnj s PRO 88 Ca -0.06 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.55 2wnj s PRO 88 Cb -0.10 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 2wnj s PRO 88 CO 0.01 -0.42 3.05 -0.40 0.04 0.00 0.00 177.00 179.29 2wnj n ASP 89 N -0.46 6.44 -4.69 6.66 5.75 -1.26 -4.95 116.55 124.04 2wnj n ASP 89 Ca 0.07 -2.88 -0.42 0.00 -0.01 0.00 0.00 54.79 51.55 2wnj n ASP 89 Cb 0.49 -1.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.21 2wnj n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wnj s ILE 90 N -0.53 3.60 0.00 2.12 -1.09 -1.26 -2.87 121.20 121.17 2wnj s ILE 90 Ca 0.62 1.00 0.01 0.00 -2.23 0.00 0.00 60.65 60.05 2wnj s ILE 90 Cb 0.32 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 2wnj s ILE 90 CO -0.11 0.00 -0.04 -0.89 -1.23 0.00 0.00 174.94 172.67 2wnj s THR 91 N 2.39 0.30 0.20 2.92 2.01 0.40 -4.90 115.64 118.96 2wnj s THR 91 Ca 0.65 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 2wnj s THR 91 Cb -0.33 -0.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.82 2wnj s THR 91 CO 0.27 -0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.43 2wnj s ALA 92 N -0.30 3.46 -1.10 7.40 0.00 -1.26 -1.52 121.76 128.43 2wnj s ALA 92 Ca -0.01 0.99 0.26 0.00 0.00 0.00 0.00 51.96 53.21 2wnj s ALA 92 Cb -0.03 -3.43 0.72 0.00 0.00 0.00 0.00 23.12 20.38 2wnj s ALA 92 CO -0.00 -0.41 1.56 0.66 0.00 0.00 0.00 175.76 177.57 2wnj n TYR 93 N 2.43 0.00 -2.63 0.00 4.02 0.10 -4.17 117.16 116.92 2wnj n TYR 93 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.96 2wnj n TYR 93 Cb 0.44 -0.28 0.03 0.00 -0.02 0.00 0.00 39.34 39.51 2wnj n TYR 93 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wnj n SER 94 N -1.39 1.22 -4.74 7.72 3.41 -1.26 -5.00 113.62 113.57 2wnj n SER 94 Ca 0.07 -2.01 -0.33 0.00 -0.26 0.00 0.00 58.87 56.34 2wnj n SER 94 Cb 0.33 -0.37 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 2wnj n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wnj s SER 95 N -2.69 4.45 0.00 4.04 1.04 -1.26 -1.84 113.70 117.43 2wnj s SER 95 Ca 0.31 2.11 0.02 0.00 0.48 0.00 0.00 55.95 58.88 2wnj s SER 95 Cb 0.36 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.92 2wnj s SER 95 CO -0.12 -2.08 0.36 0.35 0.98 0.00 0.00 173.24 172.73 2wnj n THR 96 N -2.90 0.00 -3.83 2.02 -2.24 -0.14 -4.81 114.28 102.38 2wnj n THR 96 Ca 0.11 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.32 2wnj n THR 96 Cb 0.52 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.70 2wnj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wnj s ARG 97 N -0.68 0.82 0.38 -0.78 0.52 -1.25 -5.04 118.95 112.91 2wnj s ARG 97 Ca 0.02 -0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 54.12 2wnj s ARG 97 Cb 0.02 0.34 -0.10 0.00 0.52 0.00 0.00 34.95 35.73 2wnj s ARG 97 CO 0.06 -0.26 1.43 -2.14 0.02 0.00 0.00 175.30 174.42 2wnj s PRO 98 N -3.46 4.08 0.37 3.54 0.02 -1.26 -4.66 135.00 133.63 2wnj s PRO 98 Ca 0.02 2.46 -0.27 0.00 0.02 0.00 0.00 61.00 63.22 2wnj s PRO 98 Cb 0.03 -2.92 -0.11 0.00 0.02 0.00 0.00 34.50 31.51 2wnj s PRO 98 CO -0.09 -0.51 1.34 0.28 -0.33 0.00 0.00 177.00 177.68 2wnj n VAL 99 N 0.39 2.17 -4.00 3.83 0.31 -1.26 -4.86 118.33 114.91 2wnj n VAL 99 Ca 0.02 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.50 2wnj n VAL 99 Cb 0.40 -1.68 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 2wnj n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wnj s GLN 100 N -2.04 3.86 -0.11 5.55 -0.21 -0.65 -4.98 119.66 121.08 2wnj s GLN 100 Ca 0.56 -0.40 -0.20 0.00 0.02 0.00 0.00 55.36 55.35 2wnj s GLN 100 Cb -0.53 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 2wnj s GLN 100 CO 0.61 0.16 0.57 0.08 -2.12 0.00 0.00 175.29 174.60 2wnj s VAL 101 N 0.66 5.12 -1.30 1.09 1.01 -1.26 -1.13 120.40 124.60 2wnj s VAL 101 Ca 0.03 1.15 0.11 0.00 0.00 0.00 0.00 61.98 63.27 2wnj s VAL 101 Cb -0.13 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.40 2wnj s VAL 101 CO 0.02 0.28 0.80 0.18 0.00 0.00 0.00 175.10 176.38 2wnj n LEU 102 N 3.87 1.75 -4.16 3.92 4.77 0.27 -4.98 117.00 122.44 2wnj n LEU 102 Ca -0.04 -0.93 -0.12 0.00 -0.03 0.00 0.00 56.01 54.88 2wnj n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2wnj n LEU 102 CO 0.45 0.34 -0.40 -0.94 -1.33 0.00 0.00 177.39 175.51 2wnj s SER 103 N -1.08 1.21 0.41 -1.43 1.04 -1.24 -4.90 113.70 107.71 2wnj s SER 103 Ca 0.12 -0.91 -0.26 0.00 0.48 0.00 0.00 55.95 55.38 2wnj s SER 103 Cb 0.09 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 66.18 2wnj s SER 103 CO 0.18 -0.38 1.42 -2.84 0.98 0.00 0.00 173.24 172.59 2wnj s PRO 104 N -3.33 3.91 -1.28 4.02 0.02 -1.26 -4.82 135.00 132.26 2wnj s PRO 104 Ca 0.08 2.41 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 2wnj s PRO 104 Cb 0.01 -2.80 0.14 0.00 0.02 0.00 0.00 34.50 31.88 2wnj s PRO 104 CO -0.03 -0.64 1.73 1.04 -0.33 0.00 0.00 177.00 178.78 2wnj n GLN 105 N 0.12 3.38 -4.14 5.54 6.02 -1.26 -4.87 117.38 122.17 2wnj n GLN 105 Ca 0.03 -3.51 -0.16 0.00 -0.01 0.00 0.00 57.00 53.35 2wnj n GLN 105 Cb 0.41 -3.09 -0.15 0.00 1.02 0.00 0.00 30.24 28.43 2wnj n GLN 105 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wnj s ILE 106 N 1.69 0.39 0.36 5.09 1.01 -1.26 -0.83 121.20 127.65 2wnj s ILE 106 Ca 0.44 -0.18 0.09 0.00 0.00 0.00 0.00 60.65 60.99 2wnj s ILE 106 Cb 0.05 -0.35 -0.06 0.00 0.01 0.00 0.00 42.46 42.10 2wnj s ILE 106 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 174.94 175.07 2wnj s ALA 107 N 0.06 3.18 -0.16 9.38 0.00 0.34 -4.64 121.76 129.91 2wnj s ALA 107 Ca -0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 51.96 49.89 2wnj s ALA 107 Cb -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2wnj s ALA 107 CO -0.00 0.02 -0.13 0.08 0.00 0.00 0.00 175.76 175.73 2wnj s VAL 108 N -2.58 2.85 -0.12 0.00 1.01 -0.25 -0.99 120.40 120.33 2wnj s VAL 108 Ca 0.35 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2wnj s VAL 108 Cb 0.02 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2wnj s VAL 108 CO 0.19 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 175.05 2wnj s VAL 109 N 0.85 3.77 0.16 2.92 1.01 0.06 -0.83 120.40 128.34 2wnj s VAL 109 Ca -0.04 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2wnj s VAL 109 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 2wnj s VAL 109 CO -0.00 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.60 2wnj s THR 110 N -0.16 2.93 0.67 3.92 2.01 -0.27 -0.56 115.64 124.18 2wnj s THR 110 Ca 0.02 -1.69 0.40 0.00 0.31 0.00 0.00 61.69 60.74 2wnj s THR 110 Cb -0.13 -2.41 0.40 0.00 0.01 0.00 0.00 72.50 70.37 2wnj s THR 110 CO 0.03 -0.05 2.24 1.12 -0.69 0.00 0.00 174.62 177.26 2wnj h HIS 111 N 3.20 0.00 -0.04 4.92 2.07 -1.27 0.21 115.15 124.24 2wnj h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wnj h HIS 111 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 2wnj h HIS 111 CO 0.64 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.10 2wnj n ASP 112 N -3.04 0.47 0.00 3.10 5.75 -1.26 -2.05 116.55 119.52 2wnj n ASP 112 Ca -0.03 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 2wnj n ASP 112 Cb 0.16 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2wnj n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wnj n GLY 113 N 0.92 0.73 3.76 6.12 0.00 0.73 -4.75 105.19 112.69 2wnj n GLY 113 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2wnj n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wnj s SER 114 N -2.81 7.55 -0.03 1.61 0.01 -1.19 -0.94 113.70 117.90 2wnj s SER 114 Ca 0.00 1.95 0.07 0.00 1.31 0.00 0.00 55.95 59.29 2wnj s SER 114 Cb 0.00 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2wnj s SER 114 CO 0.00 0.08 -0.25 -0.69 0.41 0.00 0.00 173.24 172.80 2wnj s VAL 115 N -1.27 1.96 -0.10 3.43 1.01 0.15 -1.11 120.40 124.47 2wnj s VAL 115 Ca 0.43 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2wnj s VAL 115 Cb -0.25 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.50 2wnj s VAL 115 CO 0.31 0.55 -0.20 -0.32 0.00 0.00 0.00 175.10 175.44 2wnj s MET 116 N -0.47 2.67 -0.04 2.72 0.00 -0.01 -2.12 119.30 122.04 2wnj s MET 116 Ca 0.06 -0.74 -0.01 0.00 0.00 0.00 0.00 55.69 55.00 2wnj s MET 116 Cb -0.11 -2.09 0.03 0.00 0.00 0.00 0.00 34.83 32.66 2wnj s MET 116 CO 0.00 0.08 0.03 0.12 0.00 0.00 0.00 175.02 175.25 2wnj s PHE 117 N 0.57 0.28 -0.58 4.11 5.36 -0.02 -1.09 117.98 126.61 2wnj s PHE 117 Ca -0.14 0.07 0.06 0.00 -0.96 0.00 0.00 56.93 55.95 2wnj s PHE 117 Cb -0.17 -0.51 0.22 0.00 -0.34 0.00 0.00 43.02 42.22 2wnj s PHE 117 CO 0.05 -0.19 0.60 -0.89 -1.46 0.00 0.00 175.22 173.32 2wnj n ILE 118 N 4.80 1.23 -2.51 3.12 2.08 -1.26 -0.64 119.36 126.18 2wnj n ILE 118 Ca -0.14 -4.72 -0.42 0.00 0.56 0.00 0.00 62.75 58.03 2wnj n ILE 118 Cb 0.50 -2.05 -0.03 0.00 -0.75 0.00 0.00 39.64 37.32 2wnj n ILE 118 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2wnj s PRO 119 N -1.72 4.40 0.09 0.38 0.04 -1.13 -4.74 135.00 132.32 2wnj s PRO 119 Ca 0.35 1.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 2wnj s PRO 119 Cb 0.10 -3.50 -0.07 0.00 0.04 0.00 0.00 34.50 31.07 2wnj s PRO 119 CO -0.09 -0.34 0.75 0.00 0.04 0.00 0.00 177.00 177.36 2wnj s ALA 120 N 1.80 3.42 0.02 8.56 0.00 -1.26 -1.42 121.76 132.88 2wnj s ALA 120 Ca 0.55 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 2wnj s ALA 120 Cb -0.24 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 2wnj s ALA 120 CO 0.24 0.18 0.05 -0.65 0.00 0.00 0.00 175.76 175.58 2wnj s GLN 121 N -0.56 0.42 -0.17 0.00 -0.21 0.33 -0.56 119.66 118.91 2wnj s GLN 121 Ca 0.36 -0.57 -0.03 0.00 0.02 0.00 0.00 55.36 55.14 2wnj s GLN 121 Cb -0.21 0.16 -0.02 0.00 1.00 0.00 0.00 33.01 33.94 2wnj s GLN 121 CO 0.24 -0.09 -0.04 0.50 -2.12 0.00 0.00 175.29 173.77 2wnj s ARG 122 N -1.65 3.58 -0.06 2.91 3.52 -0.28 -1.46 118.95 125.51 2wnj s ARG 122 Ca -0.13 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 2wnj s ARG 122 Cb -0.07 -2.92 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 2wnj s ARG 122 CO -0.01 0.14 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.30 2wnj s LEU 123 N 0.62 1.80 -0.22 -0.88 2.96 -0.11 -1.64 118.68 121.23 2wnj s LEU 123 Ca -0.03 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 2wnj s LEU 123 Cb -0.15 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 2wnj s LEU 123 CO 0.02 0.09 0.12 -0.44 -1.32 0.00 0.00 176.35 174.83 2wnj s SER 124 N 0.40 5.94 0.12 3.68 0.01 -1.26 -0.94 113.70 121.65 2wnj s SER 124 Ca -0.11 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 2wnj s SER 124 Cb -0.14 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 2wnj s SER 124 CO 0.04 0.12 0.07 0.72 0.41 0.00 0.00 173.24 174.60 2wnj s PHE 125 N 0.74 0.78 -0.18 2.43 -0.12 -0.49 -0.96 117.98 120.17 2wnj s PHE 125 Ca 0.06 -1.17 -0.29 0.00 -0.05 0.00 0.00 56.93 55.49 2wnj s PHE 125 Cb -0.13 -0.43 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 2wnj s PHE 125 CO 0.02 -0.52 1.63 -1.64 -0.05 0.00 0.00 175.22 174.65 2wnj s MET 126 N -4.03 3.87 -0.29 1.99 -1.94 -0.77 -1.36 119.30 116.78 2wnj s MET 126 Ca 0.21 1.79 -0.13 0.00 -1.71 0.00 0.00 55.69 55.85 2wnj s MET 126 Cb 0.07 -4.03 0.11 0.00 2.01 0.00 0.00 34.83 32.99 2wnj s MET 126 CO 0.00 -1.20 0.69 0.00 -0.01 0.00 0.00 175.02 174.50 2wnj s ASP 128 N 2.24 6.35 -0.02 0.00 2.15 -1.26 -2.98 116.67 123.15 2wnj s ASP 128 Ca -0.08 -0.03 0.07 0.00 0.43 0.00 0.00 52.55 52.93 2wnj s ASP 128 Cb -0.08 -2.29 0.24 0.00 -0.30 0.00 0.00 42.92 40.48 2wnj s ASP 128 CO -0.19 -0.56 1.10 -0.81 -0.17 0.00 0.00 175.17 174.55 2wnj n PRO 129 N 5.89 1.80 -1.65 4.34 -0.04 -1.26 -4.69 135.00 139.40 2wnj n PRO 129 Ca -0.03 -0.95 -0.48 0.00 -0.04 0.00 0.00 63.50 62.00 2wnj n PRO 129 Cb 0.49 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2wnj n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wnj n THR 130 N 0.22 0.01 -0.13 0.52 -1.04 -1.26 -0.76 114.28 111.85 2wnj n THR 130 Ca 0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2wnj n THR 130 Cb 0.32 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 2wnj n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wnj n GLY 131 N 3.17 0.66 0.27 3.41 0.00 -1.26 -4.36 105.19 107.08 2wnj n GLY 131 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2wnj n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnj h VAL 132 N 0.00 0.60 -0.78 1.61 3.04 -1.12 -2.22 116.25 117.38 2wnj h VAL 132 Ca 0.00 -0.36 -0.41 0.00 -1.01 0.00 0.00 66.70 64.92 2wnj h VAL 132 Cb 0.00 1.23 -0.24 0.00 -2.01 0.00 0.00 31.29 30.26 2wnj h VAL 132 CO 0.00 0.08 0.52 -0.90 -1.01 0.00 0.00 177.57 176.26 2wnj n ASP 133 N -3.77 3.72 -4.22 3.17 5.75 -1.26 -0.14 116.55 119.80 2wnj n ASP 133 Ca -0.02 -3.27 -0.13 0.00 -0.01 0.00 0.00 54.79 51.36 2wnj n ASP 133 Cb 0.18 -0.78 -0.10 0.00 -1.03 0.00 0.00 41.12 39.40 2wnj n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wnj s SER 134 N -0.81 1.01 0.25 -1.12 1.04 -0.85 -5.02 113.70 108.19 2wnj s SER 134 Ca 0.45 -1.19 -0.06 0.00 0.48 0.00 0.00 55.95 55.63 2wnj s SER 134 Cb 0.38 0.16 0.26 0.00 0.10 0.00 0.00 66.02 66.91 2wnj s SER 134 CO 0.08 -0.61 1.89 -0.08 0.98 0.00 0.00 173.24 175.50 2wnj h GLU 135 N 2.72 1.26 0.00 4.02 4.81 -1.91 -2.47 114.58 123.00 2wnj h GLU 135 Ca -0.36 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 2wnj h GLU 135 Cb 1.21 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2wnj h GLU 135 CO 0.62 0.88 -0.49 1.49 -0.73 0.00 0.00 179.01 180.78 2wnj h GLU 136 N 1.28 0.00 0.00 1.92 4.81 -1.97 -3.50 114.58 117.13 2wnj h GLU 136 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2wnj h GLU 136 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2wnj h GLU 136 CO -0.06 0.49 0.00 0.41 -0.73 0.00 0.00 179.01 179.12 2wnj n GLY 137 N 0.26 -2.07 3.67 1.92 0.00 -0.93 -4.84 105.19 103.19 2wnj n GLY 137 Ca -0.01 -1.44 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 2wnj n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnj s ALA 138 N -1.02 3.21 -0.06 4.61 0.00 0.58 -4.23 121.76 124.85 2wnj s ALA 138 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 51.96 50.42 2wnj s ALA 138 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.26 2wnj s ALA 138 CO 0.00 0.31 -0.12 0.99 0.00 0.00 0.00 175.76 176.94 2wnj s THR 139 N -2.17 1.12 0.11 0.00 2.01 -1.26 -1.00 115.64 114.45 2wnj s THR 139 Ca 0.31 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2wnj s THR 139 Cb -0.07 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 2wnj s THR 139 CO 0.20 0.34 -0.04 0.00 -0.69 0.00 0.00 174.62 174.43 2wnj s ALA 141 N -3.68 -0.46 -0.09 0.00 0.00 -1.26 -0.49 121.76 115.78 2wnj s ALA 141 Ca 0.15 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 2wnj s ALA 141 Cb 0.06 -0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.20 2wnj s ALA 141 CO -0.03 -0.19 0.23 0.54 0.00 0.00 0.00 175.76 176.31 2wnj s VAL 142 N -0.98 -0.02 -0.03 0.00 0.11 -0.18 -4.92 120.40 114.38 2wnj s VAL 142 Ca -0.11 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 2wnj s VAL 142 Cb -0.06 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 2wnj s VAL 142 CO 0.02 0.04 0.39 -0.54 -3.33 0.00 0.00 175.10 171.67 2wnj s LYS 143 N 0.80 3.97 -0.05 1.54 1.02 -1.26 -0.40 119.74 125.35 2wnj s LYS 143 Ca -0.06 0.36 0.05 0.00 0.02 0.00 0.00 55.97 56.34 2wnj s LYS 143 Cb -0.07 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.96 2wnj s LYS 143 CO -0.05 0.60 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.70 2wnj s PHE 144 N -0.74 2.50 0.07 3.18 0.08 -0.01 0.03 117.98 123.09 2wnj s PHE 144 Ca 0.23 -0.52 -0.27 0.00 0.12 0.00 0.00 56.93 56.49 2wnj s PHE 144 Cb -0.16 -1.60 0.09 0.00 -0.57 0.00 0.00 43.02 40.78 2wnj s PHE 144 CO 0.12 -0.08 1.17 0.20 -0.10 0.00 0.00 175.22 176.52 2wnj s GLY 145 N -0.35 -0.14 0.37 4.36 0.00 -0.58 -0.23 107.32 110.74 2wnj s GLY 145 Ca 0.02 0.11 -0.28 0.00 0.00 0.00 0.00 44.72 44.57 2wnj s GLY 145 CO 0.02 2.46 1.47 -1.26 0.00 0.00 0.00 173.10 175.79 2wnj n SER 146 N -0.88 3.67 -0.02 1.64 2.88 -1.26 -0.45 113.62 119.19 2wnj n SER 146 Ca -0.03 1.22 -0.16 0.00 -1.33 0.00 0.00 58.87 58.58 2wnj n SER 146 Cb 0.60 -1.60 -0.11 0.00 -0.75 0.00 0.00 64.21 62.35 2wnj n SER 146 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2wnj h TRP 147 N 3.03 0.34 0.00 0.66 2.91 -1.87 -3.41 115.95 117.60 2wnj h TRP 147 Ca -0.50 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.34 2wnj h TRP 147 Cb 1.25 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 2wnj h TRP 147 CO 0.53 0.98 -0.53 1.33 -1.03 0.00 0.00 178.44 179.73 2wnj n VAL 148 N -4.44 0.00 -3.97 2.65 0.24 -1.26 -4.95 118.33 106.60 2wnj n VAL 148 Ca -0.10 -0.24 -0.35 0.00 -2.04 0.00 0.00 64.34 61.61 2wnj n VAL 148 Cb 0.54 1.00 -0.11 0.00 -1.47 0.00 0.00 33.84 33.80 2wnj n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2wnj s TYR 149 N -2.05 3.19 0.99 6.34 2.02 -1.26 -5.11 117.35 121.47 2wnj s TYR 149 Ca 0.04 -0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.51 2wnj s TYR 149 Cb 0.08 -2.12 0.20 0.00 -0.40 0.00 0.00 41.96 39.73 2wnj s TYR 149 CO 0.46 0.00 1.26 -1.54 -1.57 0.00 0.00 175.55 174.16 2wnj s SER 150 N 0.73 2.83 0.55 2.29 1.04 -1.26 -4.62 113.70 115.26 2wnj s SER 150 Ca 0.03 0.42 0.36 0.00 0.48 0.00 0.00 55.95 57.25 2wnj s SER 150 Cb -0.13 -0.57 1.83 0.00 0.10 0.00 0.00 66.02 67.25 2wnj s SER 150 CO 0.02 -2.92 2.10 1.23 0.98 0.00 0.00 173.24 174.65 2wnj h GLY 151 N -1.77 0.00 2.00 7.32 0.00 -0.93 0.73 103.07 110.42 2wnj h GLY 151 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wnj h GLY 151 CO 0.41 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.69 2wnj h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.92 -3.37 116.94 117.28 2wnj h PHE 152 Ca 0.00 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.60 2wnj h PHE 152 Cb 0.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 2wnj h PHE 152 CO 0.00 0.00 -1.58 0.39 -0.60 0.00 0.00 178.31 176.52 2wnj n GLU 153 N -2.80 0.23 -4.06 1.51 4.71 -0.26 -4.07 120.64 115.90 2wnj n GLU 153 Ca 0.02 0.08 -0.31 0.00 -0.01 0.00 0.00 57.16 56.94 2wnj n GLU 153 Cb 0.31 -0.98 -0.16 0.00 -1.01 0.00 0.00 31.44 29.60 2wnj n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wnj s ILE 154 N -2.19 1.79 0.24 -3.67 1.01 0.09 -0.56 121.20 117.90 2wnj s ILE 154 Ca -0.14 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.74 2wnj s ILE 154 Cb 0.05 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2wnj s ILE 154 CO 0.20 0.44 0.26 -0.62 0.00 0.00 0.00 174.94 175.22 2wnj s ASP 155 N 1.39 5.84 0.19 3.58 2.15 -0.11 -3.71 116.67 126.00 2wnj s ASP 155 Ca 0.04 -0.11 0.09 0.00 0.43 0.00 0.00 52.55 53.00 2wnj s ASP 155 Cb -0.13 -1.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.85 2wnj s ASP 155 CO -0.11 -0.04 -0.19 -0.76 -0.17 0.00 0.00 175.17 173.90 2wnj s LEU 156 N -3.83 2.47 0.15 -1.34 1.43 -1.26 -0.73 118.68 115.57 2wnj s LEU 156 Ca 0.33 -0.90 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 2wnj s LEU 156 Cb -0.08 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2wnj s LEU 156 CO 0.26 -0.01 0.39 -1.59 0.23 0.00 0.00 176.35 175.64 2wnj s LYS 157 N -2.97 1.16 0.10 1.70 -2.85 -0.84 -4.91 119.74 111.13 2wnj s LYS 157 Ca 0.19 -0.87 0.09 0.00 -1.00 0.00 0.00 55.97 54.38 2wnj s LYS 157 Cb -0.05 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 2wnj s LYS 157 CO 0.08 -0.45 -0.19 0.95 0.10 0.00 0.00 175.35 175.84 2wnj s THR 158 N -3.86 2.76 -0.40 3.79 -4.23 -1.26 -0.43 115.64 112.02 2wnj s THR 158 Ca 0.08 -1.46 0.23 0.00 -1.18 0.00 0.00 61.69 59.35 2wnj s THR 158 Cb 0.02 -2.24 0.23 0.00 1.34 0.00 0.00 72.50 71.84 2wnj s THR 158 CO -0.07 0.15 1.44 0.44 -0.54 0.00 0.00 174.62 176.04 2wnj h ASP 159 N 3.92 0.00 -5.02 3.99 3.45 -1.98 -3.47 116.42 117.31 2wnj h ASP 159 Ca -0.49 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 56.88 2wnj h ASP 159 Cb 1.17 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.76 2wnj h ASP 159 CO 0.46 0.00 -0.07 0.28 -1.57 0.00 0.00 179.24 178.33 2wnj s THR 160 N -3.25 0.05 -2.51 0.35 -1.32 -1.26 -5.04 115.64 102.65 2wnj s THR 160 Ca 0.05 -0.37 0.24 0.00 -1.21 0.00 0.00 61.69 60.39 2wnj s THR 160 Cb 0.07 -0.91 0.42 0.00 -1.51 0.00 0.00 72.50 70.57 2wnj s THR 160 CO 0.70 -0.21 1.50 -0.90 -2.21 0.00 0.00 174.62 173.50 2wnj n ASP 161 N 0.65 2.34 -4.64 8.08 5.68 -1.26 -4.76 116.55 122.65 2wnj n ASP 161 Ca -0.19 -1.79 -0.38 0.00 -0.50 0.00 0.00 54.79 51.92 2wnj n ASP 161 Cb 0.59 -0.10 -0.09 0.00 -1.14 0.00 0.00 41.12 40.38 2wnj n ASP 161 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 2wnj s GLN 162 N -1.80 4.08 0.37 0.11 -1.52 -1.26 -0.91 119.66 118.72 2wnj s GLN 162 Ca 0.34 0.03 -0.28 0.00 -1.95 0.00 0.00 55.36 53.51 2wnj s GLN 162 Cb 0.20 -3.60 -0.10 0.00 -0.22 0.00 0.00 33.01 29.29 2wnj s GLN 162 CO 0.30 -0.14 1.38 0.08 -0.25 0.00 0.00 175.29 176.66 2wnj s VAL 163 N 1.64 2.42 -0.21 1.09 1.01 -0.73 -4.84 120.40 120.78 2wnj s VAL 163 Ca 0.15 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 2wnj s VAL 163 Cb -0.15 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 2wnj s VAL 163 CO 0.08 0.09 1.38 -0.62 0.00 0.00 0.00 175.10 176.04 2wnj s ASP 164 N -0.41 6.71 -0.00 3.32 -1.08 -0.32 -4.85 116.67 120.04 2wnj s ASP 164 Ca 0.52 1.56 0.13 0.00 -0.52 0.00 0.00 52.55 54.24 2wnj s ASP 164 Cb -0.42 -2.54 0.36 0.00 -1.46 0.00 0.00 42.92 38.87 2wnj s ASP 164 CO 0.56 -0.99 1.30 0.18 0.52 0.00 0.00 175.17 176.75 2wnj n LEU 165 N 7.37 3.11 0.00 -1.34 4.77 -1.26 -1.77 117.00 127.88 2wnj n LEU 165 Ca 0.15 -2.03 0.12 0.00 -0.03 0.00 0.00 56.01 54.22 2wnj n LEU 165 Cb 0.45 -0.28 0.62 0.00 -2.33 0.00 0.00 43.42 41.88 2wnj n LEU 165 CO 0.61 0.77 0.89 -1.54 -1.33 0.00 0.00 177.39 176.78 2wnj n SER 166 N 0.66 0.00 -0.06 -1.43 3.41 -1.26 -1.98 113.62 112.96 2wnj n SER 166 Ca 0.14 -0.21 0.06 0.00 -0.26 0.00 0.00 58.87 58.59 2wnj n SER 166 Cb 0.47 -0.22 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 2wnj n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wnj n SER 167 N -1.22 2.09 -4.73 4.04 7.64 -1.26 -5.05 113.62 115.13 2wnj n SER 167 Ca 0.13 -2.64 -0.41 0.00 1.01 0.00 0.00 58.87 56.95 2wnj n SER 167 Cb 0.16 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 2wnj n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnj s TYR 168 N -2.08 3.35 -0.05 1.43 5.04 -0.84 -4.55 117.35 119.66 2wnj s TYR 168 Ca 0.19 1.28 -0.30 0.00 -2.44 0.00 0.00 57.07 55.81 2wnj s TYR 168 Cb 0.17 -3.52 -0.06 0.00 0.35 0.00 0.00 41.96 38.89 2wnj s TYR 168 CO 0.02 -1.59 1.80 -0.47 -1.34 0.00 0.00 175.55 173.96 2wnj s TYR 169 N 0.28 1.69 0.32 4.97 5.04 0.13 -4.86 117.35 124.92 2wnj s TYR 169 Ca 0.56 0.01 0.35 0.00 -2.44 0.00 0.00 57.07 55.54 2wnj s TYR 169 Cb -0.34 -4.04 1.64 0.00 0.35 0.00 0.00 41.96 39.56 2wnj s TYR 169 CO 0.35 -4.41 2.10 0.00 -1.34 0.00 0.00 175.55 172.25 2wnj h ALA 170 N 10.36 1.06 -0.10 3.97 0.00 -1.91 -2.48 119.26 130.16 2wnj h ALA 170 Ca -0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2wnj h ALA 170 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2wnj h ALA 170 CO 0.95 0.05 -0.14 0.43 0.00 0.00 0.00 179.25 180.55 2wnj n SER 171 N -3.22 2.47 -4.54 0.00 7.64 -1.26 -5.03 113.62 109.67 2wnj n SER 171 Ca -0.01 -3.39 -0.36 0.00 1.01 0.00 0.00 58.87 56.13 2wnj n SER 171 Cb 0.24 -0.51 0.08 0.00 -1.01 0.00 0.00 64.21 63.02 2wnj n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wnj n SER 172 N -1.15 -0.34 0.29 6.43 2.88 -0.94 -4.89 113.62 115.89 2wnj n SER 172 Ca 0.20 0.62 0.16 0.00 -1.33 0.00 0.00 58.87 58.52 2wnj n SER 172 Cb 0.75 -1.32 0.88 0.00 -0.75 0.00 0.00 64.21 63.78 2wnj n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wnj h LYS 173 N -0.38 0.00 -5.78 -1.46 1.79 -1.90 -3.43 116.57 105.42 2wnj h LYS 173 Ca -0.46 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.32 2wnj h LYS 173 Cb 1.34 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.67 2wnj h LYS 173 CO 0.44 0.05 -0.88 0.71 -1.08 0.00 0.00 179.45 178.70 2wnj s TYR 174 N -4.24 2.46 0.05 -1.35 2.02 -1.26 -0.53 117.35 114.51 2wnj s TYR 174 Ca -0.03 -0.83 -0.07 0.00 -0.37 0.00 0.00 57.07 55.77 2wnj s TYR 174 Cb 0.13 -1.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 2wnj s TYR 174 CO 0.53 -0.28 0.31 -1.83 -1.57 0.00 0.00 175.55 172.71 2wnj s GLU 175 N 0.01 3.62 -0.15 -0.62 -1.05 0.13 -4.80 118.70 115.84 2wnj s GLU 175 Ca -0.09 -0.04 -0.21 0.00 -0.15 0.00 0.00 54.97 54.49 2wnj s GLU 175 Cb -0.15 -3.03 -0.03 0.00 -0.44 0.00 0.00 34.13 30.48 2wnj s GLU 175 CO 0.05 0.60 0.60 0.42 0.95 0.00 0.00 175.26 177.89 2wnj s ILE 176 N -1.38 5.07 -0.08 1.83 -1.09 -1.26 -1.71 121.20 122.58 2wnj s ILE 176 Ca 0.31 1.17 -0.02 0.00 -2.23 0.00 0.00 60.65 59.88 2wnj s ILE 176 Cb -0.13 -3.93 -0.26 0.00 -1.58 0.00 0.00 42.46 36.56 2wnj s ILE 176 CO 0.18 0.20 0.52 -0.07 -1.23 0.00 0.00 174.94 174.54 2wnj h LEU 177 N 7.53 0.33 -7.00 2.97 3.38 -0.55 -3.49 115.31 118.48 2wnj h LEU 177 Ca -0.36 -0.67 0.05 0.00 0.09 0.00 0.00 57.88 56.98 2wnj h LEU 177 Cb 1.16 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.64 2wnj h LEU 177 CO 0.76 1.60 0.39 -0.94 0.09 0.00 0.00 178.44 180.34 2wnj s SER 178 N -6.82 -0.46 -0.17 -0.43 1.04 -1.03 -4.98 113.70 100.84 2wnj s SER 178 Ca -0.16 0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 2wnj s SER 178 Cb 0.07 0.44 0.08 0.00 0.10 0.00 0.00 66.02 66.71 2wnj s SER 178 CO 0.80 -0.62 0.32 0.00 0.98 0.00 0.00 173.24 174.71 2wnj s ALA 179 N -2.43 -0.77 0.16 5.32 0.00 -1.26 -0.86 121.76 121.92 2wnj s ALA 179 Ca -0.00 1.02 0.10 0.00 0.00 0.00 0.00 51.96 53.08 2wnj s ALA 179 Cb -0.01 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 2wnj s ALA 179 CO -0.04 -0.82 -0.22 0.95 0.00 0.00 0.00 175.76 175.63 2wnj s THR 180 N 2.48 2.05 -0.15 0.00 -4.23 -0.42 -1.77 115.64 113.60 2wnj s THR 180 Ca 0.03 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2wnj s THR 180 Cb -0.13 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.85 2wnj s THR 180 CO -0.11 -0.13 -0.02 0.00 -0.54 0.00 0.00 174.62 173.82 2wnj s GLN 181 N -2.45 1.11 -0.07 3.99 -2.07 -0.09 -1.13 119.66 118.95 2wnj s GLN 181 Ca 0.15 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 2wnj s GLN 181 Cb -0.08 -1.80 0.02 0.00 -1.09 0.00 0.00 33.01 30.06 2wnj s GLN 181 CO 0.07 -0.44 -0.05 0.99 -1.32 0.00 0.00 175.29 174.54 2wnj s THR 182 N 1.75 0.67 0.31 3.63 2.01 -0.55 -4.31 115.64 119.15 2wnj s THR 182 Ca 0.01 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2wnj s THR 182 Cb -0.15 -0.72 -0.11 0.00 0.01 0.00 0.00 72.50 71.53 2wnj s THR 182 CO -0.07 0.29 1.49 -0.60 -0.69 0.00 0.00 174.62 175.04 2wnj s ARG 183 N 1.42 4.18 0.09 4.92 3.52 -1.26 -0.08 118.95 131.74 2wnj s ARG 183 Ca -0.02 2.47 0.03 0.00 -0.13 0.00 0.00 55.73 58.08 2wnj s ARG 183 Cb -0.13 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 2wnj s ARG 183 CO -0.03 -0.50 -0.09 -0.65 -0.81 0.00 0.00 175.30 173.22 2wnj s GLN 184 N -1.10 0.79 -0.18 5.12 -0.21 0.67 -4.91 119.66 119.85 2wnj s GLN 184 Ca 0.58 -1.15 -0.03 0.00 0.02 0.00 0.00 55.36 54.78 2wnj s GLN 184 Cb -0.45 -0.39 -0.01 0.00 1.00 0.00 0.00 33.01 33.15 2wnj s GLN 184 CO 0.52 0.05 -0.07 0.08 -2.12 0.00 0.00 175.29 173.74 2wnj s VAL 185 N -2.63 3.36 -0.03 1.09 1.01 -1.26 -1.58 120.40 120.36 2wnj s VAL 185 Ca 0.05 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2wnj s VAL 185 Cb -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2wnj s VAL 185 CO -0.01 0.47 -0.11 -1.10 0.00 0.00 0.00 175.10 174.34 2wnj s GLN 186 N 0.91 2.50 -0.36 2.72 -1.52 0.11 -4.96 119.66 119.06 2wnj s GLN 186 Ca -0.01 -0.71 0.03 0.00 -1.95 0.00 0.00 55.36 52.71 2wnj s GLN 186 Cb -0.15 -2.42 0.11 0.00 -0.22 0.00 0.00 33.01 30.32 2wnj s GLN 186 CO 0.01 0.61 0.10 -1.01 -0.25 0.00 0.00 175.29 174.75 2wnj s HIS 187 N -0.85 3.13 -0.14 0.91 3.76 -1.26 -0.42 115.29 120.42 2wnj s HIS 187 Ca 0.14 -2.71 -0.20 0.00 -0.15 0.00 0.00 55.06 52.14 2wnj s HIS 187 Cb -0.11 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 2wnj s HIS 187 CO 0.03 -0.90 0.58 0.71 -0.85 0.00 0.00 174.74 174.31 2wnj s TYR 188 N 0.90 3.47 0.64 1.40 4.12 -1.26 -4.93 117.35 121.69 2wnj s TYR 188 Ca 0.12 0.97 0.32 0.00 0.02 0.00 0.00 57.07 58.50 2wnj s TYR 188 Cb -0.20 -2.70 1.76 0.00 -1.52 0.00 0.00 41.96 39.30 2wnj s TYR 188 CO -0.11 0.01 2.03 0.66 0.02 0.00 0.00 175.55 178.17 2wnj h SER 189 N 7.05 0.00 -0.10 2.29 4.64 -1.99 0.11 113.55 125.55 2wnj h SER 189 Ca -0.37 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.98 2wnj h SER 189 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wnj h SER 189 CO 0.76 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.81 2wnj h PRO 192 N 6.37 0.58 -6.22 0.00 0.13 -1.88 -3.40 132.00 127.59 2wnj h PRO 192 Ca -0.31 -0.27 -0.56 0.00 -0.87 0.00 0.00 66.00 63.98 2wnj h PRO 192 Cb 1.18 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2wnj h PRO 192 CO 0.41 0.85 -0.29 -1.83 -0.23 0.00 0.00 178.00 176.91 2wnj s GLU 193 N -4.35 3.62 0.52 0.86 -1.05 -1.26 -5.02 118.70 112.02 2wnj s GLU 193 Ca -0.08 -0.10 -0.20 0.00 -0.15 0.00 0.00 54.97 54.45 2wnj s GLU 193 Cb 0.13 -2.82 -0.06 0.00 -0.44 0.00 0.00 34.13 30.94 2wnj s GLU 193 CO 0.82 0.42 1.13 -1.25 0.95 0.00 0.00 175.26 177.33 2wnj s PRO 194 N -2.85 3.46 -0.01 -4.83 0.04 -1.26 -4.74 135.00 124.82 2wnj s PRO 194 Ca 0.41 1.62 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2wnj s PRO 194 Cb -0.12 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2wnj s PRO 194 CO 0.26 -0.76 -0.10 0.71 0.04 0.00 0.00 177.00 177.14 2wnj s TYR 195 N -1.75 2.81 -0.10 0.56 2.02 0.43 -0.60 117.35 120.72 2wnj s TYR 195 Ca 0.71 -0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 57.28 2wnj s TYR 195 Cb -0.24 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2wnj s TYR 195 CO 0.27 0.32 0.06 0.42 -1.57 0.00 0.00 175.55 175.05 2wnj s ILE 196 N -0.92 4.78 0.10 2.71 -1.09 -1.26 0.04 121.20 125.56 2wnj s ILE 196 Ca 0.15 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2wnj s ILE 196 Cb -0.11 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.68 2wnj s ILE 196 CO 0.05 0.61 0.01 1.51 -1.23 0.00 0.00 174.94 175.89 2wnj s ASP 197 N -0.96 0.49 -0.22 3.58 1.47 -0.61 -4.32 116.67 116.10 2wnj s ASP 197 Ca 0.14 -1.11 -0.03 0.00 1.18 0.00 0.00 52.55 52.73 2wnj s ASP 197 Cb -0.12 0.23 -0.00 0.00 -0.34 0.00 0.00 42.92 42.69 2wnj s ASP 197 CO 0.03 -0.65 -0.05 -0.69 0.68 0.00 0.00 175.17 174.49 2wnj s VAL 198 N -3.94 3.24 -0.24 2.11 1.01 0.68 -0.23 120.40 123.02 2wnj s VAL 198 Ca 0.16 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.35 2wnj s VAL 198 Cb 0.07 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2wnj s VAL 198 CO -0.03 0.39 0.58 0.21 0.00 0.00 0.00 175.10 176.25 2wnj s ASN 199 N 1.45 6.55 -0.31 3.32 2.47 0.88 -0.83 114.94 128.47 2wnj s ASN 199 Ca 0.05 0.67 -0.15 0.00 0.42 0.00 0.00 52.86 53.85 2wnj s ASN 199 Cb -0.15 -2.32 -0.02 0.00 -1.45 0.00 0.00 41.25 37.31 2wnj s ASN 199 CO -0.04 -0.31 0.35 -0.22 -3.72 0.00 0.00 177.10 173.17 2wnj s LEU 200 N 2.26 4.27 -0.16 3.21 2.96 0.46 -1.48 118.68 130.21 2wnj s LEU 200 Ca 0.25 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2wnj s LEU 200 Cb -0.16 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.18 2wnj s LEU 200 CO 0.09 -0.27 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.00 2wnj s VAL 201 N 2.02 2.53 -0.12 1.68 1.01 -0.28 -1.01 120.40 126.23 2wnj s VAL 201 Ca 0.13 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2wnj s VAL 201 Cb -0.16 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2wnj s VAL 201 CO 0.11 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.88 2wnj s VAL 202 N 0.89 1.56 -0.21 2.92 1.01 0.36 -1.31 120.40 125.62 2wnj s VAL 202 Ca -0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2wnj s VAL 202 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2wnj s VAL 202 CO -0.02 0.45 0.04 -0.75 0.00 0.00 0.00 175.10 174.82 2wnj s LYS 203 N 1.07 3.71 0.10 2.72 2.20 -0.04 -1.15 119.74 128.34 2wnj s LYS 203 Ca -0.04 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 55.02 2wnj s LYS 203 Cb -0.15 -3.18 -0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2wnj s LYS 203 CO -0.03 0.01 0.19 -0.59 -0.36 0.00 0.00 175.35 174.57 2wnj s PHE 204 N 1.04 0.20 0.11 4.03 -0.12 -0.17 0.26 117.98 123.33 2wnj s PHE 204 Ca 0.03 -0.63 -0.13 0.00 -0.05 0.00 0.00 56.93 56.15 2wnj s PHE 204 Cb -0.14 -0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 2wnj s PHE 204 CO 0.02 -0.56 0.31 -0.98 -0.05 0.00 0.00 175.22 173.97 2wnj s ARG 205 N -3.88 0.97 0.30 1.99 1.70 -0.69 -0.31 118.95 119.04 2wnj s ARG 205 Ca 0.07 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.21 2wnj s ARG 205 Cb 0.05 0.42 -0.12 0.00 -0.57 0.00 0.00 34.95 34.73 2wnj s ARG 205 CO -0.10 -0.35 1.58 0.39 -1.08 0.00 0.00 175.30 175.74 2wnj n GLU 206 N -0.15 2.68 -1.76 3.89 1.02 0.81 -0.70 120.64 126.42 2wnj n GLU 206 Ca -0.16 0.95 -0.40 0.00 -0.02 0.00 0.00 57.16 57.54 2wnj n GLU 206 Cb 0.63 -2.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.35 2wnj n GLU 206 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wnj s ARG 207 N -0.72 3.52 0.00 3.49 3.52 0.32 -4.68 118.95 124.39 2wnj s ARG 207 Ca 0.63 2.41 0.00 0.00 -0.13 0.00 0.00 55.73 58.63 2wnj s ARG 207 Cb -0.50 -2.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.34 2wnj s ARG 207 CO 0.51 -0.94 0.08 2.89 -0.81 0.00 0.00 175.30 177.02