#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnj h LYS -1 N 0.00 0.92 -0.12 -1.24 1.57 -2.05 0.20 116.57 115.86 2wnj h LYS -1 Ca 0.00 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2wnj h LYS -1 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2wnj h LYS -1 CO 0.00 0.62 -0.22 1.25 -0.57 0.00 0.00 179.45 180.53 2wnj h LEU 0 N 0.94 0.19 -0.21 2.94 6.46 -2.05 -1.45 115.31 122.13 2wnj h LEU 0 Ca 0.25 -0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.84 2wnj h LEU 0 Cb -0.09 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2wnj h LEU 0 CO -0.05 0.43 -0.34 0.45 -0.62 0.00 0.00 178.44 178.30 2wnj h HIS 1 N 0.18 0.76 -0.53 1.25 3.86 -1.67 -0.94 115.15 118.06 2wnj h HIS 1 Ca 0.03 -0.26 0.01 0.00 -1.16 0.00 0.00 60.37 58.99 2wnj h HIS 1 Cb 0.50 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 2wnj h HIS 1 CO 0.01 1.00 0.35 0.66 0.86 0.00 0.00 177.93 180.80 2wnj h SER 2 N 0.30 0.59 -0.25 2.45 4.64 -0.35 -1.06 113.55 119.87 2wnj h SER 2 Ca 0.02 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wnj h SER 2 Cb 0.93 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2wnj h SER 2 CO 0.08 0.43 0.11 1.56 -0.87 0.00 0.00 176.83 178.14 2wnj h GLN 3 N 0.70 0.37 -0.84 4.77 4.20 -1.27 -1.54 115.11 121.51 2wnj h GLN 3 Ca 0.20 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2wnj h GLN 3 Cb -0.06 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2wnj h GLN 3 CO -0.05 0.39 0.55 0.00 -0.67 0.00 0.00 178.83 179.04 2wnj h ALA 4 N 0.96 1.08 -0.75 3.87 0.00 -0.93 0.16 119.26 123.66 2wnj h ALA 4 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wnj h ALA 4 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2wnj h ALA 4 CO -0.01 0.41 0.33 -0.91 0.00 0.00 0.00 179.25 179.07 2wnj h ASN 5 N 1.09 1.01 -0.33 0.00 2.35 -1.08 -0.68 115.58 117.94 2wnj h ASN 5 Ca 0.32 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 2wnj h ASN 5 Cb -0.06 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 2wnj h ASN 5 CO -0.09 0.89 -0.10 0.25 -1.65 0.00 0.00 177.43 176.72 2wnj h LEU 6 N 1.07 0.65 -0.68 1.61 5.85 -0.47 -1.40 115.31 121.94 2wnj h LEU 6 Ca 0.25 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2wnj h LEU 6 Cb 0.17 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2wnj h LEU 6 CO -0.03 0.88 0.41 0.24 -0.34 0.00 0.00 178.44 179.61 2wnj h MET 7 N 0.42 0.76 -0.23 1.25 2.86 -0.91 -1.56 114.93 117.52 2wnj h MET 7 Ca 0.08 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2wnj h MET 7 Cb 0.61 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2wnj h MET 7 CO 0.04 0.50 0.12 -0.09 1.06 0.00 0.00 176.91 178.54 2wnj h ARG 8 N 0.79 0.34 -0.22 1.72 2.43 -0.94 -1.06 114.38 117.42 2wnj h ARG 8 Ca 0.29 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2wnj h ARG 8 Cb 0.08 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 2wnj h ARG 8 CO -0.13 0.33 -0.07 1.25 -1.51 0.00 0.00 179.97 179.84 2wnj h LEU 9 N 0.25 -0.24 -1.43 3.80 5.85 -1.01 0.71 115.31 123.23 2wnj h LEU 9 Ca 0.08 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2wnj h LEU 9 Cb 0.11 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2wnj h LEU 9 CO -0.01 -0.09 -0.22 0.11 -0.34 0.00 0.00 178.44 177.89 2wnj h LYS 10 N -0.02 0.09 0.17 1.25 1.57 -1.08 -0.39 116.57 118.17 2wnj h LYS 10 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2wnj h LYS 10 Cb 0.19 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2wnj h LYS 10 CO -0.24 0.31 -0.08 1.03 -0.57 0.00 0.00 179.45 179.90 2wnj h SER 11 N 0.08 -0.19 -0.93 0.86 0.87 -0.48 -1.60 113.55 112.16 2wnj h SER 11 Ca 0.01 -0.34 0.12 0.00 -1.23 0.00 0.00 61.79 60.36 2wnj h SER 11 Cb 0.45 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 2wnj h SER 11 CO 0.03 0.30 0.59 0.44 -0.53 0.00 0.00 176.83 177.67 2wnj h ASP 12 N -0.77 0.79 -0.02 6.23 3.32 -0.63 -1.34 116.42 124.00 2wnj h ASP 12 Ca -0.02 0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.85 2wnj h ASP 12 Cb 0.52 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.97 2wnj h ASP 12 CO 0.04 0.42 -0.83 -0.07 -1.72 0.00 0.00 179.24 177.08 2wnj h LEU 13 N 0.85 0.76 0.00 1.55 3.38 -1.10 -3.36 115.31 117.39 2wnj h LEU 13 Ca 0.46 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2wnj h LEU 13 Cb 0.56 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wnj h LEU 13 CO -0.22 1.39 -0.63 0.49 0.09 0.00 0.00 178.44 179.56 2wnj n PHE 14 N -4.02 0.00 1.39 1.13 0.99 -0.60 -4.57 117.46 111.78 2wnj n PHE 14 Ca -0.10 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.47 2wnj n PHE 14 Cb 0.78 -0.31 0.70 0.00 -1.00 0.00 0.00 39.48 39.64 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 -4.01 0.00 -1.80 4.37 5.03 -0.72 -3.27 115.26 114.85 2wnj n ASN 15 Ca -0.09 -0.42 -0.20 0.00 0.87 0.00 0.00 54.58 54.74 2wnj n ASN 15 Cb 0.33 -0.15 0.06 0.00 -1.02 0.00 0.00 39.78 38.99 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 -1.15 3.21 -3.60 3.52 1.74 -0.59 -4.96 116.66 114.84 2wnj n ARG 16 Ca 0.15 -3.96 0.02 0.00 -0.77 0.00 0.00 57.85 53.29 2wnj n ARG 16 Cb 0.15 -2.17 -0.01 0.00 -1.02 0.00 0.00 32.46 29.41 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 -3.40 -0.04 0.47 0.55 1.04 -1.20 -4.88 113.70 106.23 2wnj s SER 17 Ca 0.50 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 2wnj s SER 17 Cb 0.41 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2wnj s SER 17 CO 0.02 -0.18 0.80 -2.16 0.98 0.00 0.00 173.24 172.70 2wnj s PRO 18 N -2.26 3.63 0.65 4.02 0.05 -1.26 -4.81 135.00 135.02 2wnj s PRO 18 Ca 0.14 0.35 -0.18 0.00 0.05 0.00 0.00 61.00 61.36 2wnj s PRO 18 Cb 0.05 -2.35 -0.01 0.00 0.05 0.00 0.00 34.50 32.24 2wnj s PRO 18 CO -0.05 -0.18 1.25 -0.12 0.05 0.00 0.00 177.00 177.95 2wnj n MET 19 N -1.97 1.04 -1.87 4.56 1.56 -1.26 -4.88 117.12 114.30 2wnj n MET 19 Ca 0.02 0.41 -0.41 0.00 -0.27 0.00 0.00 57.70 57.45 2wnj n MET 19 Cb 0.55 -2.48 -0.02 0.00 2.15 0.00 0.00 33.22 33.41 2wnj n MET 19 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 2wnj s TYR 20 N -1.43 2.87 -1.76 1.12 5.04 -1.26 -4.88 117.35 117.04 2wnj s TYR 20 Ca 0.82 0.87 0.01 0.00 -2.44 0.00 0.00 57.07 56.33 2wnj s TYR 20 Cb -0.38 -3.97 0.04 0.00 0.35 0.00 0.00 41.96 38.00 2wnj s TYR 20 CO 0.41 -3.22 0.93 -0.35 -1.34 0.00 0.00 175.55 171.98 2wnj n PRO 21 N 2.28 1.13 0.00 4.97 -0.04 -1.26 -4.83 135.00 137.26 2wnj n PRO 21 Ca 0.08 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2wnj n PRO 21 Cb 0.39 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.45 -0.67 3.79 0.55 0.00 -1.26 -4.98 105.19 103.07 2wnj n GLY 22 Ca 0.02 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.30 2.61 0.27 1.61 0.04 -1.26 -5.03 135.00 130.94 2wnj s PRO 23 Ca 0.00 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.11 2wnj s PRO 23 Cb 0.00 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2wnj s PRO 23 CO 0.00 -1.36 0.27 0.95 0.04 0.00 0.00 177.00 176.90 2wnj s THR 24 N -2.96 0.00 0.42 1.26 -4.23 -0.72 -4.97 115.64 104.45 2wnj s THR 24 Ca 0.60 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 2wnj s THR 24 Cb -0.16 -2.49 0.29 0.00 1.34 0.00 0.00 72.50 71.48 2wnj s THR 24 CO 0.55 0.00 2.04 0.11 -0.54 0.00 0.00 174.62 176.78 2wnj h LYS 25 N 2.35 0.47 0.00 3.99 1.57 -1.91 -0.43 116.57 122.61 2wnj h LYS 25 Ca -0.30 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 2wnj h LYS 25 Cb 1.24 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2wnj h LYS 25 CO 0.44 0.31 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.97 2wnj h ASP 26 N 0.48 0.00 -2.02 0.86 3.32 -1.96 -3.38 116.42 113.73 2wnj h ASP 26 Ca 0.18 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.69 2wnj h ASP 26 Cb 0.14 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.29 2wnj h ASP 26 CO -0.05 0.18 -1.09 -0.67 -1.72 0.00 0.00 179.24 175.89 2wnj n ASP 27 N -3.13 0.64 -4.84 6.45 2.03 -0.54 -5.12 116.55 112.04 2wnj n ASP 27 Ca 0.03 -2.84 -0.27 0.00 0.52 0.00 0.00 54.79 52.23 2wnj n ASP 27 Cb 0.61 -0.63 0.09 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.64 1.96 0.01 -0.67 0.04 -0.28 -1.75 135.00 132.66 2wnj s PRO 28 Ca 0.37 -0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.22 2wnj s PRO 28 Cb 0.22 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.67 2wnj s PRO 28 CO -0.10 -1.47 -0.01 -1.17 0.04 0.00 0.00 177.00 174.29 2wnj s LEU 29 N -5.41 2.14 -0.15 -3.56 0.20 -0.32 -4.93 118.68 106.65 2wnj s LEU 29 Ca 0.62 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 55.08 2wnj s LEU 29 Cb -0.10 0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.74 2wnj s LEU 29 CO 0.47 -0.22 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.34 2wnj s THR 30 N -1.04 3.37 -0.24 3.68 2.01 -1.26 -0.86 115.64 121.30 2wnj s THR 30 Ca -0.11 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 2wnj s THR 30 Cb -0.07 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 2wnj s THR 30 CO -0.01 0.50 0.10 -0.69 -0.69 0.00 0.00 174.62 173.83 2wnj s VAL 31 N 0.56 4.70 -0.08 3.82 1.01 0.64 -4.37 120.40 126.67 2wnj s VAL 31 Ca -0.06 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2wnj s VAL 31 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2wnj s VAL 31 CO 0.03 0.34 0.60 -0.89 0.00 0.00 0.00 175.10 175.19 2wnj s THR 32 N 1.35 5.09 -0.05 3.92 2.01 0.55 -1.96 115.64 126.56 2wnj s THR 32 Ca 0.06 1.23 0.03 0.00 0.31 0.00 0.00 61.69 63.32 2wnj s THR 32 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2wnj s THR 32 CO 0.05 0.30 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.92 2wnj s LEU 33 N 0.63 1.80 0.03 4.42 2.96 -0.29 -1.27 118.68 126.97 2wnj s LEU 33 Ca 0.32 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.85 2wnj s LEU 33 Cb -0.17 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.69 2wnj s LEU 33 CO 0.15 0.09 0.17 -0.83 -1.32 0.00 0.00 176.35 174.61 2wnj s GLY 34 N 0.27 0.07 0.03 7.98 0.00 -0.45 -4.40 107.32 110.82 2wnj s GLY 34 Ca -0.07 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.40 2wnj s GLY 34 CO 0.02 -0.49 -0.22 -1.36 0.00 0.00 0.00 173.10 171.05 2wnj s PHE 35 N -2.45 2.45 -0.28 1.90 0.08 -1.26 -0.32 117.98 118.10 2wnj s PHE 35 Ca -0.06 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.69 2wnj s PHE 35 Cb -0.02 -1.45 0.07 0.00 -0.57 0.00 0.00 43.02 41.05 2wnj s PHE 35 CO -0.03 0.16 -0.05 0.99 -0.10 0.00 0.00 175.22 176.18 2wnj s THR 36 N -0.82 2.11 -0.13 0.64 2.01 -0.16 -1.68 115.64 117.61 2wnj s THR 36 Ca 0.13 -1.79 -0.23 0.00 0.31 0.00 0.00 61.69 60.11 2wnj s THR 36 Cb -0.10 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 2wnj s THR 36 CO 0.03 -0.21 0.69 -0.22 -0.69 0.00 0.00 174.62 174.22 2wnj s LEU 37 N 1.08 4.23 -0.22 4.42 2.96 -0.87 -1.20 118.68 129.07 2wnj s LEU 37 Ca -0.03 1.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.99 2wnj s LEU 37 Cb -0.20 -3.03 -0.18 0.00 0.50 0.00 0.00 46.19 43.29 2wnj s LEU 37 CO -0.06 -0.22 -0.14 0.00 -1.32 0.00 0.00 176.35 174.61 2wnj n GLN 38 N 4.47 0.69 -3.63 1.98 6.02 -0.16 -3.46 117.38 123.30 2wnj n GLN 38 Ca -0.00 0.10 -0.13 0.00 -0.01 0.00 0.00 57.00 56.96 2wnj n GLN 38 Cb 0.50 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.21 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 -6.05 -0.66 -0.46 1.08 2.15 -0.70 -0.13 116.67 111.90 2wnj s ASP 39 Ca -0.26 1.25 -0.18 0.00 0.43 0.00 0.00 52.55 53.79 2wnj s ASP 39 Cb 0.08 1.27 0.04 0.00 -0.30 0.00 0.00 42.92 44.01 2wnj s ASP 39 CO 0.61 -0.23 0.53 -0.63 -0.17 0.00 0.00 175.17 175.28 2wnj s ILE 40 N 0.29 4.99 -0.05 4.11 1.01 -1.26 -0.40 121.20 129.89 2wnj s ILE 40 Ca 0.01 -0.44 -0.22 0.00 0.00 0.00 0.00 60.65 59.99 2wnj s ILE 40 Cb -0.05 -4.17 -0.31 0.00 0.01 0.00 0.00 42.46 37.94 2wnj s ILE 40 CO -0.01 -0.61 0.89 0.58 0.00 0.00 0.00 174.94 175.79 2wnj h VAL 41 N 5.80 1.53 -3.07 2.92 2.07 -1.29 -3.40 116.25 120.80 2wnj h VAL 41 Ca -0.27 -2.53 -0.16 0.00 0.82 0.00 0.00 66.70 64.56 2wnj h VAL 41 Cb 1.10 3.22 -0.26 0.00 -1.52 0.00 0.00 31.29 33.83 2wnj h VAL 41 CO 0.88 0.71 -0.42 -0.75 0.02 0.00 0.00 177.57 178.02 2wnj s LYS 42 N -2.42 0.29 -0.17 1.57 2.20 -1.22 -4.87 119.74 115.12 2wnj s LYS 42 Ca -0.14 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 2wnj s LYS 42 Cb 0.01 0.10 0.04 0.00 -1.51 0.00 0.00 37.83 36.46 2wnj s LYS 42 CO 0.82 -0.06 -0.10 0.00 -0.36 0.00 0.00 175.35 175.66 2wnj s ALA 43 N 0.36 1.76 -0.44 3.13 0.00 -1.26 -0.78 121.76 124.53 2wnj s ALA 43 Ca -0.02 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 2wnj s ALA 43 Cb -0.03 -1.15 0.08 0.00 0.00 0.00 0.00 23.12 22.02 2wnj s ALA 43 CO -0.01 -0.66 0.31 0.34 0.00 0.00 0.00 175.76 175.73 2wnj s ASP 44 N 1.51 5.80 0.00 0.00 -1.08 0.34 -4.94 116.67 118.30 2wnj s ASP 44 Ca 0.01 -1.48 0.31 0.00 -0.52 0.00 0.00 52.55 50.88 2wnj s ASP 44 Cb -0.15 -2.05 1.66 0.00 -1.46 0.00 0.00 42.92 40.92 2wnj s ASP 44 CO -0.09 -0.58 2.12 -1.54 0.52 0.00 0.00 175.17 175.60 2wnj n SER 45 N 5.00 0.01 0.06 -0.34 3.41 -1.26 -0.77 113.62 119.74 2wnj n SER 45 Ca -0.11 -0.47 -0.03 0.00 -0.26 0.00 0.00 58.87 58.01 2wnj n SER 45 Cb 0.43 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 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 0.02 0.00 0.00 4.04 4.64 -1.95 -3.38 113.55 116.92 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wnj h SER 46 CO 0.00 0.75 0.00 0.35 -0.87 0.00 0.00 176.83 177.06 2wnj n THR 47 N -3.14 0.00 -3.69 2.95 -2.24 -1.18 -5.03 114.28 101.94 2wnj n THR 47 Ca -0.05 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 2wnj n THR 47 Cb 0.88 1.00 0.04 0.00 -2.10 0.00 0.00 70.33 70.15 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 -0.43 -4.70 -4.11 3.42 3.02 0.05 -4.93 115.26 107.58 2wnj n ASN 48 Ca 0.00 -1.00 -0.25 0.00 -0.03 0.00 0.00 54.58 53.31 2wnj n ASN 48 Cb 0.00 -3.45 -0.16 0.00 -0.61 0.00 0.00 39.78 35.56 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 -5.98 1.55 0.04 3.52 2.02 -1.13 -1.44 118.70 117.29 2wnj s GLU 49 Ca 0.41 -0.54 0.09 0.00 0.02 0.00 0.00 54.97 54.94 2wnj s GLU 49 Cb -0.14 -1.38 -0.03 0.00 0.10 0.00 0.00 34.13 32.68 2wnj s GLU 49 CO 0.86 0.23 -0.25 0.08 0.02 0.00 0.00 175.26 176.20 2wnj s VAL 50 N 0.02 2.01 -0.20 2.63 1.01 -0.61 -0.51 120.40 124.76 2wnj s VAL 50 Ca -0.02 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.60 2wnj s VAL 50 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2wnj s VAL 50 CO 0.01 0.34 -0.05 -1.81 0.00 0.00 0.00 175.10 173.59 2wnj s ASP 51 N -1.17 4.34 0.02 3.32 1.11 0.04 -1.40 116.67 122.93 2wnj s ASP 51 Ca 0.11 -0.34 0.05 0.00 0.18 0.00 0.00 52.55 52.54 2wnj s ASP 51 Cb -0.10 -1.73 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 2wnj s ASP 51 CO 0.02 0.03 -0.11 -0.76 1.18 0.00 0.00 175.17 175.53 2wnj s LEU 52 N 1.16 2.93 -0.12 1.23 1.43 -0.06 -0.73 118.68 124.52 2wnj s LEU 52 Ca 0.02 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2wnj s LEU 52 Cb -0.14 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2wnj s LEU 52 CO -0.01 0.26 -0.16 -0.69 0.23 0.00 0.00 176.35 175.98 2wnj s VAL 53 N -0.98 2.74 0.22 -1.59 1.01 0.46 -0.98 120.40 121.28 2wnj s VAL 53 Ca 0.16 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2wnj s VAL 53 Cb -0.11 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2wnj s VAL 53 CO 0.07 0.53 0.52 -0.72 0.00 0.00 0.00 175.10 175.50 2wnj s TYR 54 N 0.40 0.03 0.08 5.22 -0.85 -0.66 -0.99 117.35 120.58 2wnj s TYR 54 Ca -0.12 -0.40 0.10 0.00 -0.52 0.00 0.00 57.07 56.13 2wnj s TYR 54 Cb -0.16 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.49 2wnj s TYR 54 CO 0.06 -0.96 -0.26 1.52 -1.52 0.00 0.00 175.55 174.39 2wnj s TYR 55 N -3.92 2.35 -0.31 -3.49 -0.85 -0.34 -0.60 117.35 110.18 2wnj s TYR 55 Ca 0.13 -0.38 -0.08 0.00 -0.52 0.00 0.00 57.07 56.22 2wnj s TYR 55 Cb -0.01 -1.34 0.01 0.00 0.38 0.00 0.00 41.96 41.00 2wnj s TYR 55 CO 0.02 0.24 0.11 -2.00 -1.52 0.00 0.00 175.55 172.40 2wnj s GLU 56 N -1.64 3.10 -0.23 -3.49 2.12 -0.38 -0.98 118.70 117.20 2wnj s GLU 56 Ca 0.13 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.40 2wnj s GLU 56 Cb -0.10 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 2wnj s GLU 56 CO 0.04 -0.48 0.57 -1.14 -0.54 0.00 0.00 175.26 173.72 2wnj s GLN 57 N 1.53 4.15 -0.03 4.30 0.74 0.57 -2.96 119.66 127.95 2wnj s GLN 57 Ca 0.03 0.48 0.07 0.00 0.05 0.00 0.00 55.36 55.98 2wnj s GLN 57 Cb -0.17 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 2wnj s GLN 57 CO 0.04 -0.28 -0.24 -0.65 -0.55 0.00 0.00 175.29 173.61 2wnj s GLN 58 N 2.06 2.29 -0.07 1.67 -0.21 -0.08 -1.34 119.66 123.98 2wnj s GLN 58 Ca 0.25 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.70 2wnj s GLN 58 Cb -0.16 -2.13 0.03 0.00 1.00 0.00 0.00 33.01 31.75 2wnj s GLN 58 CO 0.09 0.53 0.18 0.50 -2.12 0.00 0.00 175.29 174.47 2wnj s ARG 59 N -0.52 0.18 0.34 2.91 3.00 -0.39 -1.31 118.95 123.15 2wnj s ARG 59 Ca 0.07 0.33 -0.04 0.00 -1.00 0.00 0.00 55.73 55.09 2wnj s ARG 59 Cb -0.11 -0.01 0.01 0.00 0.00 0.00 0.00 34.95 34.83 2wnj s ARG 59 CO 0.00 -0.09 0.50 1.67 0.00 0.00 0.00 175.30 177.39 2wnj s TRP 60 N 0.58 0.92 -0.06 5.12 -2.14 -0.88 -0.33 118.94 122.15 2wnj s TRP 60 Ca -0.04 -1.20 -0.03 0.00 2.66 0.00 0.00 56.10 57.49 2wnj s TRP 60 Cb -0.06 0.02 0.04 0.00 -3.10 0.00 0.00 33.47 30.37 2wnj s TRP 60 CO -0.03 -1.16 0.14 0.21 -2.66 0.00 0.00 176.95 173.45 2wnj s LYS 61 N -3.08 0.09 -0.12 3.25 2.20 -1.26 -0.13 119.74 120.69 2wnj s LYS 61 Ca 0.29 0.34 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 2wnj s LYS 61 Cb -0.01 -0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 2wnj s LYS 61 CO 0.18 -0.15 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.29 2wnj s LEU 62 N 1.08 2.04 0.45 5.43 1.43 -0.05 -4.89 118.68 124.18 2wnj s LEU 62 Ca -0.08 -0.56 0.22 0.00 -1.03 0.00 0.00 54.13 52.68 2wnj s LEU 62 Cb -0.11 -1.37 1.21 0.00 0.03 0.00 0.00 46.19 45.95 2wnj s LEU 62 CO -0.05 0.10 1.84 0.78 0.23 0.00 0.00 176.35 179.25 2wnj h ASN 63 N 7.11 0.29 0.53 2.29 2.35 -1.89 -1.25 115.58 125.02 2wnj h ASN 63 Ca -0.28 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2wnj h ASN 63 Cb 1.21 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2wnj h ASN 63 CO 0.52 0.10 0.00 -1.54 -1.65 0.00 0.00 177.43 174.85 2wnj n SER 64 N -4.46 0.00 -0.95 5.81 3.41 -1.26 -2.17 113.62 114.00 2wnj n SER 64 Ca 0.21 0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.94 2wnj n SER 64 Cb 0.83 -0.33 0.23 0.00 -0.26 0.00 0.00 64.21 64.68 2wnj n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wnj n LEU 65 N -1.33 3.49 -4.80 1.04 4.77 -0.47 -5.00 117.00 114.70 2wnj n LEU 65 Ca 0.11 -2.14 -0.36 0.00 -0.03 0.00 0.00 56.01 53.58 2wnj n LEU 65 Cb 0.21 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2wnj n LEU 65 CO 0.20 0.80 0.53 -0.04 -1.33 0.00 0.00 177.39 177.55 2wnj s MET 66 N -1.25 4.39 0.13 3.23 -1.94 -0.92 -3.80 119.30 119.13 2wnj s MET 66 Ca 0.35 1.08 -0.11 0.00 -1.71 0.00 0.00 55.69 55.30 2wnj s MET 66 Cb 0.20 -2.79 0.01 0.00 2.01 0.00 0.00 34.83 34.26 2wnj s MET 66 CO 0.21 0.31 0.28 1.67 -0.01 0.00 0.00 175.02 177.48 2wnj s TRP 67 N -1.62 0.15 -0.41 -0.03 -2.14 -0.67 -4.94 118.94 109.27 2wnj s TRP 67 Ca 0.48 -0.53 -0.21 0.00 2.66 0.00 0.00 56.10 58.50 2wnj s TRP 67 Cb -0.17 0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.25 2wnj s TRP 67 CO 0.22 -0.66 0.64 0.34 -2.66 0.00 0.00 176.95 174.83 2wnj s ASP 68 N -2.89 6.35 0.55 -2.66 -1.08 -1.26 -4.65 116.67 111.04 2wnj s ASP 68 Ca 0.09 -0.19 0.28 0.00 -0.52 0.00 0.00 52.55 52.20 2wnj s ASP 68 Cb 0.03 -2.32 1.46 0.00 -1.46 0.00 0.00 42.92 40.63 2wnj s ASP 68 CO -0.07 -0.73 1.96 -0.65 0.52 0.00 0.00 175.17 176.20 2wnj h PRO 69 N 8.76 0.00 0.00 4.34 0.11 -1.94 0.15 132.00 143.43 2wnj h PRO 69 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2wnj h PRO 69 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wnj h PRO 69 CO 0.88 0.00 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.69 2wnj h ASN 70 N 0.00 0.00 0.66 -2.05 4.21 -1.93 0.36 115.58 116.84 2wnj h ASN 70 Ca 0.26 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.77 2wnj h ASN 70 Cb 1.12 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 2wnj h ASN 70 CO -0.00 0.06 -0.08 -0.62 -1.29 0.00 0.00 177.43 175.50 2wnj n GLU 71 N -3.36 0.30 -2.67 0.81 1.02 0.53 -4.34 120.64 112.93 2wnj n GLU 71 Ca -0.01 -0.05 -0.11 0.00 -0.02 0.00 0.00 57.16 56.97 2wnj n GLU 71 Cb 0.22 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2wnj n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wnj n TYR 72 N -1.30 1.27 -3.39 -0.32 4.02 -0.64 -4.98 117.16 111.82 2wnj n TYR 72 Ca 0.11 -2.86 -0.24 0.00 -0.01 0.00 0.00 57.90 54.89 2wnj n TYR 72 Cb 0.29 -0.36 0.04 0.00 -0.02 0.00 0.00 39.34 39.29 2wnj n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wnj n GLY 73 N -0.07 -0.52 2.42 2.72 0.00 -1.20 -1.71 105.19 106.82 2wnj n GLY 73 Ca 0.12 0.17 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.68 -5.35 -4.70 1.61 5.03 0.02 -4.99 115.26 104.20 2wnj n ASN 74 Ca -0.04 0.15 -0.42 0.00 0.87 0.00 0.00 54.58 55.14 2wnj n ASN 74 Cb 0.58 -4.44 -0.03 0.00 -1.02 0.00 0.00 39.78 34.87 2wnj n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wnj s ILE 75 N -2.85 3.36 -0.02 2.41 1.01 -0.70 -4.89 121.20 119.53 2wnj s ILE 75 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 60.65 61.64 2wnj s ILE 75 Cb 0.00 -3.57 -0.16 0.00 0.01 0.00 0.00 42.46 38.74 2wnj s ILE 75 CO 0.00 0.03 0.22 0.35 0.00 0.00 0.00 174.94 175.54 2wnj n THR 76 N 4.33 0.03 -3.57 2.92 -2.24 -1.26 -4.31 114.28 110.18 2wnj n THR 76 Ca 0.13 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 2wnj n THR 76 Cb 0.42 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.85 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 -3.23 -0.46 0.16 3.42 1.47 -1.26 -0.51 116.67 116.26 2wnj s ASP 77 Ca -0.04 -0.21 -0.17 0.00 1.18 0.00 0.00 52.55 53.32 2wnj s ASP 77 Cb 0.06 0.64 0.03 0.00 -0.34 0.00 0.00 42.92 43.32 2wnj s ASP 77 CO 0.43 -1.09 0.45 0.72 0.68 0.00 0.00 175.17 176.35 2wnj s PHE 78 N -3.81 -0.15 -0.06 2.11 -0.12 0.75 -4.98 117.98 111.72 2wnj s PHE 78 Ca 0.04 -0.18 -0.09 0.00 -0.05 0.00 0.00 56.93 56.66 2wnj s PHE 78 Cb -0.03 0.31 -0.05 0.00 -0.63 0.00 0.00 43.02 42.63 2wnj s PHE 78 CO -0.06 -0.80 0.24 1.03 -0.05 0.00 0.00 175.22 175.58 2wnj s ARG 79 N -3.84 3.59 -0.01 1.99 3.00 -1.26 0.05 118.95 122.48 2wnj s ARG 79 Ca 0.06 0.01 -0.19 0.00 0.00 0.00 0.00 55.73 55.62 2wnj s ARG 79 Cb 0.01 -3.17 0.03 0.00 0.00 0.00 0.00 34.95 31.82 2wnj s ARG 79 CO -0.08 0.72 0.40 -0.08 0.00 0.00 0.00 175.30 176.27 2wnj s THR 80 N -1.11 0.05 0.26 0.02 -1.32 0.01 -4.98 115.64 108.56 2wnj s THR 80 Ca 0.20 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 59.99 2wnj s THR 80 Cb -0.13 -0.78 -0.14 0.00 -1.51 0.00 0.00 72.50 69.94 2wnj s THR 80 CO 0.09 -0.21 1.30 -0.24 -2.21 0.00 0.00 174.62 173.35 2wnj n SER 81 N 1.00 2.39 0.26 8.08 2.88 -1.26 -0.44 113.62 126.53 2wnj n SER 81 Ca -0.20 1.16 0.16 0.00 -1.33 0.00 0.00 58.87 58.66 2wnj n SER 81 Cb 0.57 -1.39 0.90 0.00 -0.75 0.00 0.00 64.21 63.54 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 3.49 1.61 0.00 -1.46 0.00 -1.20 -0.32 119.26 121.38 2wnj h ALA 82 Ca -0.44 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2wnj h ALA 82 Cb 1.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wnj h ALA 82 CO 0.70 -0.12 -0.12 0.00 0.00 0.00 0.00 179.25 179.71 2wnj h ALA 83 N 1.89 1.10 0.00 0.00 0.00 -1.88 -2.87 119.26 117.50 2wnj h ALA 83 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wnj h ALA 83 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2wnj h ALA 83 CO -0.00 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 2wnj n ASP 84 N -3.37 0.78 -4.29 0.00 8.00 -0.13 -4.90 116.55 112.64 2wnj n ASP 84 Ca -0.01 0.62 -0.16 0.00 0.71 0.00 0.00 54.79 55.96 2wnj n ASP 84 Cb 0.30 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.12 40.49 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 -3.20 0.95 0.34 0.53 -4.36 -1.08 -5.02 121.20 109.36 2wnj s ILE 85 Ca 0.08 -2.02 -0.28 0.00 -0.26 0.00 0.00 60.65 58.16 2wnj s ILE 85 Cb 0.11 -2.20 -0.10 0.00 1.25 0.00 0.00 42.46 41.51 2wnj s ILE 85 CO 0.51 -0.43 1.29 0.86 0.24 0.00 0.00 174.94 177.41 2wnj s TRP 86 N -3.48 3.06 0.03 1.37 -0.00 -1.26 -4.94 118.94 113.73 2wnj s TRP 86 Ca 0.25 1.44 0.02 0.00 -0.00 0.00 0.00 56.10 57.81 2wnj s TRP 86 Cb 0.05 -3.65 -0.02 0.00 -0.00 0.00 0.00 33.47 29.86 2wnj s TRP 86 CO 0.06 -1.77 -0.07 0.95 -0.00 0.00 0.00 176.95 176.11 2wnj s THR 87 N -1.16 0.51 0.47 5.86 -4.23 -1.26 -5.10 115.64 110.73 2wnj s THR 87 Ca 0.49 -0.94 -0.21 0.00 -1.18 0.00 0.00 61.69 59.86 2wnj s THR 87 Cb -0.39 -0.56 -0.08 0.00 1.34 0.00 0.00 72.50 72.81 2wnj s THR 87 CO 0.51 -0.30 1.06 -2.16 -0.54 0.00 0.00 174.62 173.19 2wnj s PRO 88 N -1.34 3.82 -0.85 3.99 0.04 -1.26 -4.94 135.00 134.46 2wnj s PRO 88 Ca -0.08 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.35 2wnj s PRO 88 Cb -0.09 -2.19 0.04 0.00 0.04 0.00 0.00 34.50 32.30 2wnj s PRO 88 CO 0.00 -0.43 2.72 -0.40 0.04 0.00 0.00 177.00 178.93 2wnj n ASP 89 N -0.80 7.18 -4.70 6.66 5.75 -1.26 -4.96 116.55 124.43 2wnj n ASP 89 Ca 0.09 -3.06 -0.42 0.00 -0.01 0.00 0.00 54.79 51.39 2wnj n ASP 89 Cb 0.51 -1.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.25 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 -1.13 3.94 -0.00 2.12 -1.09 -1.26 -2.64 121.20 121.13 2wnj s ILE 90 Ca 0.59 1.33 0.01 0.00 -2.23 0.00 0.00 60.65 60.35 2wnj s ILE 90 Cb 0.28 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2wnj s ILE 90 CO -0.14 0.03 -0.02 -0.89 -1.23 0.00 0.00 174.94 172.70 2wnj s THR 91 N 1.92 0.14 0.16 2.92 2.01 0.08 -4.90 115.64 117.98 2wnj s THR 91 Ca 0.60 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 2wnj s THR 91 Cb -0.29 -0.14 -0.08 0.00 0.01 0.00 0.00 72.50 72.00 2wnj s THR 91 CO 0.26 0.05 1.24 0.00 -0.69 0.00 0.00 174.62 175.48 2wnj s ALA 92 N 0.09 3.46 -0.72 7.40 0.00 -1.26 -1.48 121.76 129.25 2wnj s ALA 92 Ca -0.01 0.98 0.26 0.00 0.00 0.00 0.00 51.96 53.20 2wnj s ALA 92 Cb -0.02 -3.44 0.74 0.00 0.00 0.00 0.00 23.12 20.39 2wnj s ALA 92 CO -0.00 -0.44 1.70 0.66 0.00 0.00 0.00 175.76 177.68 2wnj n TYR 93 N 2.86 0.85 -2.45 0.00 4.02 0.98 -4.16 117.16 119.26 2wnj n TYR 93 Ca 0.06 0.25 0.01 0.00 -0.01 0.00 0.00 57.90 58.21 2wnj n TYR 93 Cb 0.44 -0.89 0.05 0.00 -0.02 0.00 0.00 39.34 38.93 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 -2.22 1.55 -4.74 7.72 3.41 -1.26 -5.02 113.62 113.05 2wnj n SER 94 Ca 0.05 -2.38 -0.32 0.00 -0.26 0.00 0.00 58.87 55.97 2wnj n SER 94 Cb 0.43 -0.39 0.10 0.00 -0.26 0.00 0.00 64.21 64.10 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 -2.81 4.21 0.00 4.04 1.04 -1.26 -1.58 113.70 117.34 2wnj s SER 95 Ca 0.34 2.01 0.00 0.00 0.48 0.00 0.00 55.95 58.78 2wnj s SER 95 Cb 0.37 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.94 2wnj s SER 95 CO -0.10 -2.24 0.41 0.35 0.98 0.00 0.00 173.24 172.63 2wnj n THR 96 N -3.38 0.00 -3.82 2.02 -2.24 -0.11 -4.80 114.28 101.94 2wnj n THR 96 Ca 0.10 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 2wnj n THR 96 Cb 0.52 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.23 0.78 0.37 -0.78 0.52 -1.25 -5.04 118.95 113.32 2wnj s ARG 97 Ca 0.00 -0.71 -0.28 0.00 -0.52 0.00 0.00 55.73 54.22 2wnj s ARG 97 Cb 0.00 0.33 -0.11 0.00 0.52 0.00 0.00 34.95 35.69 2wnj s ARG 97 CO 0.00 -0.24 1.50 -2.14 0.02 0.00 0.00 175.30 174.44 2wnj s PRO 98 N -3.02 4.11 0.51 3.54 0.02 -1.26 -4.66 135.00 134.24 2wnj s PRO 98 Ca -0.02 2.58 -0.23 0.00 0.02 0.00 0.00 61.00 63.35 2wnj s PRO 98 Cb 0.01 -2.97 -0.06 0.00 0.02 0.00 0.00 34.50 31.50 2wnj s PRO 98 CO -0.06 -0.55 1.39 0.54 -0.33 0.00 0.00 177.00 177.99 2wnj s VAL 99 N -1.01 2.04 -0.18 3.83 0.11 -1.26 -4.87 120.40 119.05 2wnj s VAL 99 Ca 0.54 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.59 2wnj s VAL 99 Cb -0.47 -3.02 -0.02 0.00 -1.53 0.00 0.00 36.38 31.35 2wnj s VAL 99 CO 0.62 0.00 -0.05 -1.10 -3.33 0.00 0.00 175.10 171.24 2wnj s GLN 100 N -2.75 3.51 -0.11 1.54 -0.21 -0.53 -4.98 119.66 116.13 2wnj s GLN 100 Ca 0.68 -0.59 -0.22 0.00 0.02 0.00 0.00 55.36 55.25 2wnj s GLN 100 Cb -0.42 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 30.64 2wnj s GLN 100 CO 0.51 0.05 0.66 0.08 -2.12 0.00 0.00 175.29 174.47 2wnj s VAL 101 N 0.83 5.05 -1.41 1.09 1.01 -1.26 -1.00 120.40 124.70 2wnj s VAL 101 Ca -0.02 1.31 0.13 0.00 0.00 0.00 0.00 61.98 63.41 2wnj s VAL 101 Cb -0.15 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.30 2wnj s VAL 101 CO 0.01 0.21 0.83 0.18 0.00 0.00 0.00 175.10 176.33 2wnj n LEU 102 N 4.18 1.77 -4.23 3.92 4.77 0.95 -4.98 117.00 123.37 2wnj n LEU 102 Ca -0.02 -0.89 -0.13 0.00 -0.03 0.00 0.00 56.01 54.94 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 0.46 0.33 -0.36 -0.94 -1.33 0.00 0.00 177.39 175.55 2wnj s SER 103 N -1.31 1.37 0.48 -1.43 1.04 -1.24 -4.90 113.70 107.71 2wnj s SER 103 Ca 0.13 -1.10 -0.24 0.00 0.48 0.00 0.00 55.95 55.22 2wnj s SER 103 Cb 0.10 0.08 -0.07 0.00 0.10 0.00 0.00 66.02 66.23 2wnj s SER 103 CO 0.23 -0.49 1.40 -2.65 0.98 0.00 0.00 173.24 172.71 2wnj n PRO 104 N -0.20 2.06 -2.98 4.02 -0.02 -1.26 -4.82 135.00 131.81 2wnj n PRO 104 Ca -0.09 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 2wnj n PRO 104 Cb 0.62 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2wnj n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wnj n GLN 105 N -0.41 3.61 -4.25 -0.52 1.13 -1.26 -4.89 117.38 110.78 2wnj n GLN 105 Ca 0.07 -4.08 -0.20 0.00 -1.94 0.00 0.00 57.00 50.86 2wnj n GLN 105 Cb 0.42 -2.81 -0.16 0.00 0.11 0.00 0.00 30.24 27.81 2wnj n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wnj s ILE 106 N -0.05 0.61 0.31 5.09 1.01 -1.26 -0.64 121.20 126.27 2wnj s ILE 106 Ca 0.37 -0.23 0.09 0.00 0.00 0.00 0.00 60.65 60.88 2wnj s ILE 106 Cb -0.02 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2wnj s ILE 106 CO -0.01 0.22 0.10 0.00 0.00 0.00 0.00 174.94 175.25 2wnj s ALA 107 N 0.51 3.40 -0.17 9.38 0.00 0.42 -4.61 121.76 130.69 2wnj s ALA 107 Ca -0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.13 2wnj s ALA 107 Cb -0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 2wnj s ALA 107 CO 0.00 0.12 -0.10 0.08 0.00 0.00 0.00 175.76 175.87 2wnj s VAL 108 N -2.37 3.13 -0.15 0.00 1.01 -0.32 -0.81 120.40 120.89 2wnj s VAL 108 Ca 0.35 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2wnj s VAL 108 Cb -0.04 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 2wnj s VAL 108 CO 0.22 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 175.06 2wnj s VAL 109 N 0.88 3.75 0.13 2.92 1.01 0.11 -1.27 120.40 127.92 2wnj s VAL 109 Ca -0.03 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.61 2wnj s VAL 109 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2wnj s VAL 109 CO 0.00 0.50 -0.05 -0.89 0.00 0.00 0.00 175.10 174.67 2wnj s THR 110 N 0.31 3.62 0.48 3.92 2.01 -0.32 -0.18 115.64 125.47 2wnj s THR 110 Ca -0.05 -1.27 0.39 0.00 0.31 0.00 0.00 61.69 61.08 2wnj s THR 110 Cb -0.14 -2.74 0.39 0.00 0.01 0.00 0.00 72.50 70.02 2wnj s THR 110 CO 0.03 0.04 2.21 1.12 -0.69 0.00 0.00 174.62 177.33 2wnj h HIS 111 N 3.27 0.00 0.00 4.92 2.07 -1.10 0.15 115.15 124.46 2wnj h HIS 111 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2wnj h HIS 111 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 2wnj h HIS 111 CO 0.61 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.07 2wnj n ASP 112 N -2.89 0.00 0.00 3.10 5.75 -1.26 -1.66 116.55 119.59 2wnj n ASP 112 Ca -0.03 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 2wnj n ASP 112 Cb 0.07 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 0.56 0.77 3.82 6.12 0.00 0.52 -4.77 105.19 112.22 2wnj n GLY 113 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2wnj n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnj s SER 114 N -2.61 6.98 -0.04 1.61 1.04 -1.20 -0.87 113.70 118.61 2wnj s SER 114 Ca 0.00 1.41 0.04 0.00 0.48 0.00 0.00 55.95 57.88 2wnj s SER 114 Cb 0.00 -2.42 -0.00 0.00 0.10 0.00 0.00 66.02 63.70 2wnj s SER 114 CO 0.00 -0.07 -0.16 -0.69 0.98 0.00 0.00 173.24 173.30 2wnj s VAL 115 N -1.70 1.34 -0.09 5.02 1.01 0.82 -1.18 120.40 125.62 2wnj s VAL 115 Ca 0.48 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2wnj s VAL 115 Cb -0.14 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2wnj s VAL 115 CO 0.20 0.39 -0.22 -0.04 0.00 0.00 0.00 175.10 175.43 2wnj s MET 116 N 0.04 2.77 -0.06 2.72 -1.94 -0.40 -2.07 119.30 120.36 2wnj s MET 116 Ca -0.03 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.13 2wnj s MET 116 Cb -0.11 -2.13 0.04 0.00 2.01 0.00 0.00 34.83 34.64 2wnj s MET 116 CO 0.02 0.17 0.12 0.12 -0.01 0.00 0.00 175.02 175.43 2wnj s PHE 117 N 0.36 -0.11 -0.53 -0.03 5.36 -0.43 -1.17 117.98 121.44 2wnj s PHE 117 Ca -0.17 0.42 0.06 0.00 -0.96 0.00 0.00 56.93 56.28 2wnj s PHE 117 Cb -0.17 -0.19 0.23 0.00 -0.34 0.00 0.00 43.02 42.55 2wnj s PHE 117 CO 0.08 -0.18 0.58 -0.89 -1.46 0.00 0.00 175.22 173.35 2wnj n ILE 118 N 4.54 0.68 -2.55 3.12 2.08 -1.26 -0.90 119.36 125.06 2wnj n ILE 118 Ca -0.20 -4.50 -0.42 0.00 0.56 0.00 0.00 62.75 58.19 2wnj n ILE 118 Cb 0.51 -2.00 -0.03 0.00 -0.75 0.00 0.00 39.64 37.36 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 -1.55 4.53 0.06 0.38 0.04 -1.16 -4.75 135.00 132.55 2wnj s PRO 119 Ca 0.35 1.63 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 2wnj s PRO 119 Cb 0.12 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 2wnj s PRO 119 CO -0.09 -0.07 0.60 0.00 0.04 0.00 0.00 177.00 177.47 2wnj s ALA 120 N 0.63 3.54 0.03 8.56 0.00 -1.26 -1.24 121.76 132.01 2wnj s ALA 120 Ca 0.53 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 2wnj s ALA 120 Cb -0.27 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2wnj s ALA 120 CO 0.30 0.31 -0.03 -0.65 0.00 0.00 0.00 175.76 175.69 2wnj s GLN 121 N -0.79 0.44 -0.13 0.00 -0.21 0.23 -0.03 119.66 119.16 2wnj s GLN 121 Ca 0.30 -0.86 -0.00 0.00 0.02 0.00 0.00 55.36 54.82 2wnj s GLN 121 Cb -0.19 0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.95 2wnj s GLN 121 CO 0.19 -0.08 -0.12 0.50 -2.12 0.00 0.00 175.29 173.66 2wnj s ARG 122 N -2.48 3.41 -0.04 2.91 3.52 -0.17 -1.66 118.95 124.43 2wnj s ARG 122 Ca -0.06 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 54.89 2wnj s ARG 122 Cb -0.03 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 2wnj s ARG 122 CO -0.05 0.22 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.37 2wnj s LEU 123 N 0.35 1.80 -0.19 -0.88 2.96 -0.15 -1.45 118.68 121.11 2wnj s LEU 123 Ca -0.11 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.46 2wnj s LEU 123 Cb -0.16 -0.73 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 2wnj s LEU 123 CO 0.06 0.09 0.10 -0.44 -1.32 0.00 0.00 176.35 174.83 2wnj s SER 124 N 0.23 5.94 0.18 3.68 0.01 -1.26 -0.89 113.70 121.60 2wnj s SER 124 Ca -0.05 0.16 -0.03 0.00 1.31 0.00 0.00 55.95 57.34 2wnj s SER 124 Cb -0.11 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 2wnj s SER 124 CO 0.01 0.18 0.17 0.72 0.41 0.00 0.00 173.24 174.73 2wnj s PHE 125 N 0.36 0.91 -0.19 2.43 -0.12 -0.49 -0.93 117.98 119.94 2wnj s PHE 125 Ca 0.06 -1.20 -0.29 0.00 -0.05 0.00 0.00 56.93 55.45 2wnj s PHE 125 Cb -0.12 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 2wnj s PHE 125 CO -0.01 -0.66 1.61 -1.64 -0.05 0.00 0.00 175.22 174.47 2wnj s MET 126 N -4.09 3.86 -0.29 1.99 -1.94 -0.61 -1.57 119.30 116.65 2wnj s MET 126 Ca 0.31 1.75 -0.14 0.00 -1.71 0.00 0.00 55.69 55.90 2wnj s MET 126 Cb 0.06 -4.02 0.10 0.00 2.01 0.00 0.00 34.83 32.98 2wnj s MET 126 CO 0.08 -1.21 0.69 0.00 -0.01 0.00 0.00 175.02 174.56 2wnj s ASP 128 N 2.16 6.31 0.00 0.00 -1.08 -1.26 -2.98 116.67 119.82 2wnj s ASP 128 Ca -0.08 -0.32 0.06 0.00 -0.52 0.00 0.00 52.55 51.70 2wnj s ASP 128 Cb -0.08 -2.30 0.29 0.00 -1.46 0.00 0.00 42.92 39.37 2wnj s ASP 128 CO -0.19 -0.70 1.20 -0.81 0.52 0.00 0.00 175.17 175.19 2wnj n PRO 129 N 6.09 1.20 -1.67 4.34 -0.04 -1.26 -4.69 135.00 138.97 2wnj n PRO 129 Ca -0.03 -0.31 -0.46 0.00 -0.04 0.00 0.00 63.50 62.67 2wnj n PRO 129 Cb 0.48 -1.12 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.30 0.23 -0.12 0.52 -1.04 -1.26 -1.28 114.28 111.02 2wnj n THR 130 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2wnj n THR 130 Cb 0.09 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 3.10 0.58 0.28 3.41 0.00 -1.26 -4.49 105.19 106.81 2wnj n GLY 131 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2wnj n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wnj h VAL 132 N 0.00 0.62 -0.64 1.61 2.07 -1.38 -1.84 116.25 116.69 2wnj h VAL 132 Ca 0.00 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 2wnj h VAL 132 Cb 0.00 1.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 2wnj h VAL 132 CO 0.00 0.05 0.22 -0.90 0.02 0.00 0.00 177.57 176.96 2wnj n ASP 133 N -3.87 4.58 -4.59 0.57 5.75 -1.26 -0.83 116.55 116.90 2wnj n ASP 133 Ca -0.03 -3.04 -0.27 0.00 -0.01 0.00 0.00 54.79 51.45 2wnj n ASP 133 Cb 0.14 -0.71 -0.11 0.00 -1.03 0.00 0.00 41.12 39.41 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 -0.80 3.80 0.26 -1.12 1.04 -0.70 -5.00 113.70 111.18 2wnj s SER 134 Ca 0.48 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 2wnj s SER 134 Cb 0.38 -0.38 0.49 0.00 0.10 0.00 0.00 66.02 66.62 2wnj s SER 134 CO 0.12 -0.35 1.80 -0.08 0.98 0.00 0.00 173.24 175.71 2wnj h GLU 135 N 1.88 0.77 0.00 4.02 4.81 -1.91 -2.28 114.58 121.87 2wnj h GLU 135 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2wnj h GLU 135 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2wnj h GLU 135 CO 0.77 0.51 -0.11 -0.85 -0.73 0.00 0.00 179.01 178.59 2wnj n GLU 136 N -4.75 0.24 0.00 1.92 0.00 -1.26 -5.02 120.64 111.77 2wnj n GLU 136 Ca 0.16 0.17 0.00 0.00 0.00 0.00 0.00 57.16 57.50 2wnj n GLU 136 Cb 0.35 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 30.04 2wnj n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wnj n GLY 137 N 1.33 -1.31 3.68 -1.84 0.00 -0.86 -4.82 105.19 101.36 2wnj n GLY 137 Ca 0.05 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.59 3.25 -0.08 4.61 0.00 0.39 -4.33 121.76 124.01 2wnj s ALA 138 Ca 0.00 -1.25 0.04 0.00 0.00 0.00 0.00 51.96 50.75 2wnj s ALA 138 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2wnj s ALA 138 CO 0.00 0.58 -0.21 0.99 0.00 0.00 0.00 175.76 177.12 2wnj s THR 139 N -1.52 1.78 0.14 0.00 2.01 -1.26 -0.80 115.64 115.98 2wnj s THR 139 Ca 0.27 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.41 2wnj s THR 139 Cb -0.10 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2wnj s THR 139 CO 0.18 0.50 -0.04 0.00 -0.69 0.00 0.00 174.62 174.57 2wnj s ALA 141 N -3.59 -0.39 -0.14 0.00 0.00 -1.26 -0.77 121.76 115.61 2wnj s ALA 141 Ca 0.18 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 2wnj s ALA 141 Cb 0.05 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.39 2wnj s ALA 141 CO 0.00 -0.27 0.35 0.54 0.00 0.00 0.00 175.76 176.38 2wnj s VAL 142 N -1.84 -0.02 -0.00 0.00 0.11 -0.13 -4.91 120.40 113.61 2wnj s VAL 142 Ca -0.11 0.07 -0.15 0.00 -2.93 0.00 0.00 61.98 58.86 2wnj s VAL 142 Cb -0.05 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 2wnj s VAL 142 CO -0.00 0.03 0.42 -0.54 -3.33 0.00 0.00 175.10 171.67 2wnj s LYS 143 N 0.94 3.95 -0.05 1.54 1.02 -1.26 -0.33 119.74 125.55 2wnj s LYS 143 Ca -0.06 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.41 2wnj s LYS 143 Cb -0.07 -3.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 2wnj s LYS 143 CO -0.07 0.67 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.75 2wnj s PHE 144 N -1.00 2.06 0.02 3.18 0.08 -0.04 -0.02 117.98 122.27 2wnj s PHE 144 Ca 0.24 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 2wnj s PHE 144 Cb -0.17 -1.36 0.10 0.00 -0.57 0.00 0.00 43.02 41.02 2wnj s PHE 144 CO 0.13 -0.17 1.18 0.20 -0.10 0.00 0.00 175.22 176.46 2wnj s GLY 145 N -0.13 -0.36 0.41 4.36 0.00 -0.55 -0.28 107.32 110.76 2wnj s GLY 145 Ca -0.02 0.60 -0.27 0.00 0.00 0.00 0.00 44.72 45.03 2wnj s GLY 145 CO 0.02 0.12 1.46 -0.45 0.00 0.00 0.00 173.10 174.26 2wnj s SER 146 N -2.90 6.14 0.04 1.64 0.15 -1.26 -0.74 113.70 116.77 2wnj s SER 146 Ca 0.13 3.00 -0.18 0.00 0.70 0.00 0.00 55.95 59.61 2wnj s SER 146 Cb 0.02 -2.66 -0.19 0.00 -1.71 0.00 0.00 66.02 61.48 2wnj s SER 146 CO -0.02 -1.00 1.21 -0.25 1.20 0.00 0.00 173.24 174.38 2wnj h TRP 147 N 2.72 0.73 0.00 3.44 2.91 -1.85 -3.41 115.95 120.48 2wnj h TRP 147 Ca -0.51 -0.34 0.00 0.00 1.13 0.00 0.00 58.89 59.17 2wnj h TRP 147 Cb 1.25 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 2wnj h TRP 147 CO 0.52 1.13 -0.35 1.33 -1.03 0.00 0.00 178.44 180.04 2wnj n VAL 148 N -4.19 0.00 -3.97 2.65 0.24 -1.26 -4.97 118.33 106.82 2wnj n VAL 148 Ca -0.08 -0.35 -0.35 0.00 -2.04 0.00 0.00 64.34 61.52 2wnj n VAL 148 Cb 0.63 0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.61 3.20 1.09 6.34 2.02 -1.26 -5.10 117.35 122.04 2wnj s TYR 149 Ca 0.02 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.50 2wnj s TYR 149 Cb 0.04 -2.11 0.25 0.00 -0.40 0.00 0.00 41.96 39.74 2wnj s TYR 149 CO 0.23 0.04 1.24 -1.54 -1.57 0.00 0.00 175.55 173.95 2wnj s SER 150 N 0.65 1.93 0.11 2.29 1.04 -1.26 -4.67 113.70 113.79 2wnj s SER 150 Ca 0.03 0.36 0.16 0.00 0.48 0.00 0.00 55.95 56.99 2wnj s SER 150 Cb -0.13 -0.44 0.71 0.00 0.10 0.00 0.00 66.02 66.26 2wnj s SER 150 CO 0.02 -3.47 1.51 0.61 0.98 0.00 0.00 173.24 172.88 2wnj n GLY 151 N -2.53 -1.03 0.00 7.32 0.00 0.11 -1.42 105.19 107.66 2wnj n GLY 151 Ca 0.15 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2wnj n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wnj n PHE 152 N -1.81 0.03 -0.06 1.61 0.99 -1.26 -4.27 117.46 112.69 2wnj n PHE 152 Ca 0.02 0.01 -0.11 0.00 -0.00 0.00 0.00 57.45 57.37 2wnj n PHE 152 Cb 0.16 -0.39 -0.05 0.00 -1.00 0.00 0.00 39.48 38.20 2wnj n PHE 152 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2wnj n GLU 153 N -1.52 0.26 -3.97 -1.08 4.71 -0.52 -4.18 120.64 114.34 2wnj n GLU 153 Ca 0.06 0.09 -0.30 0.00 -0.01 0.00 0.00 57.16 57.01 2wnj n GLU 153 Cb 0.34 -1.05 -0.16 0.00 -1.01 0.00 0.00 31.44 29.56 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 -2.22 1.48 0.30 -3.67 1.01 -0.50 -1.17 121.20 116.43 2wnj s ILE 154 Ca -0.16 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.60 2wnj s ILE 154 Cb 0.05 -1.53 -0.07 0.00 0.01 0.00 0.00 42.46 40.93 2wnj s ILE 154 CO 0.23 0.24 0.62 -0.62 0.00 0.00 0.00 174.94 175.41 2wnj s ASP 155 N 1.48 6.56 0.16 3.58 2.15 -0.04 -4.01 116.67 126.55 2wnj s ASP 155 Ca 0.01 0.94 0.08 0.00 0.43 0.00 0.00 52.55 54.00 2wnj s ASP 155 Cb -0.15 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2wnj s ASP 155 CO -0.09 -0.20 -0.05 -0.76 -0.17 0.00 0.00 175.17 173.90 2wnj s LEU 156 N -3.31 3.16 0.08 -1.34 1.43 -1.26 -0.26 118.68 117.17 2wnj s LEU 156 Ca 0.48 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 2wnj s LEU 156 Cb -0.11 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.30 2wnj s LEU 156 CO 0.26 0.11 0.36 -1.59 0.23 0.00 0.00 176.35 175.72 2wnj s LYS 157 N -2.77 0.95 0.09 1.70 -2.85 -0.83 -4.92 119.74 111.11 2wnj s LYS 157 Ca 0.26 -0.59 0.09 0.00 -1.00 0.00 0.00 55.97 54.72 2wnj s LYS 157 Cb -0.09 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 2wnj s LYS 157 CO 0.17 -0.34 -0.20 0.95 0.10 0.00 0.00 175.35 176.03 2wnj s THR 158 N -3.16 2.67 -0.20 3.79 -4.23 -1.26 -1.14 115.64 112.10 2wnj s THR 158 Ca -0.01 -1.44 0.17 0.00 -1.18 0.00 0.00 61.69 59.23 2wnj s THR 158 Cb 0.01 -2.17 0.08 0.00 1.34 0.00 0.00 72.50 71.75 2wnj s THR 158 CO -0.07 0.19 1.37 0.44 -0.54 0.00 0.00 174.62 176.01 2wnj h ASP 159 N 4.09 0.00 -5.04 3.99 3.32 -1.98 -3.47 116.42 117.34 2wnj h ASP 159 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 2wnj h ASP 159 Cb 1.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 2wnj h ASP 159 CO 0.45 0.41 -0.17 0.28 -1.72 0.00 0.00 179.24 178.48 2wnj s THR 160 N -3.02 0.06 -2.34 0.35 -1.32 -1.26 -5.03 115.64 103.09 2wnj s THR 160 Ca 0.03 -0.53 0.21 0.00 -1.21 0.00 0.00 61.69 60.19 2wnj s THR 160 Cb 0.07 -0.90 0.44 0.00 -1.51 0.00 0.00 72.50 70.60 2wnj s THR 160 CO 0.74 -0.29 1.46 0.47 -2.21 0.00 0.00 174.62 174.79 2wnj n ASP 161 N 0.65 2.49 -4.59 8.08 8.00 -1.26 -4.79 116.55 125.12 2wnj n ASP 161 Ca -0.19 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.05 2wnj n ASP 161 Cb 0.59 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.43 2wnj n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wnj s GLN 162 N -1.63 3.89 0.35 -1.24 -1.52 -1.26 -0.30 119.66 117.95 2wnj s GLN 162 Ca 0.35 0.12 -0.28 0.00 -1.95 0.00 0.00 55.36 53.60 2wnj s GLN 162 Cb 0.19 -3.71 -0.11 0.00 -0.22 0.00 0.00 33.01 29.16 2wnj s GLN 162 CO 0.28 -0.47 1.46 0.08 -0.25 0.00 0.00 175.29 176.39 2wnj s VAL 163 N 2.35 2.22 -0.22 1.09 1.01 -0.66 -4.87 120.40 121.32 2wnj s VAL 163 Ca 0.20 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 2wnj s VAL 163 Cb -0.15 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2wnj s VAL 163 CO 0.11 0.05 1.27 -0.62 0.00 0.00 0.00 175.10 175.91 2wnj s ASP 164 N -0.13 6.85 0.00 3.32 3.68 -0.68 -4.87 116.67 124.85 2wnj s ASP 164 Ca 0.53 1.50 0.10 0.00 2.13 0.00 0.00 52.55 56.81 2wnj s ASP 164 Cb -0.45 -2.54 0.25 0.00 -1.45 0.00 0.00 42.92 38.73 2wnj s ASP 164 CO 0.59 -0.88 1.17 0.18 0.13 0.00 0.00 175.17 176.36 2wnj n LEU 165 N 6.98 2.70 0.11 -1.34 4.77 -1.26 -2.05 117.00 126.90 2wnj n LEU 165 Ca 0.14 -1.86 0.11 0.00 -0.03 0.00 0.00 56.01 54.38 2wnj n LEU 165 Cb 0.46 -0.18 0.46 0.00 -2.33 0.00 0.00 43.42 41.82 2wnj n LEU 165 CO 0.58 0.66 0.84 -1.54 -1.33 0.00 0.00 177.39 176.61 2wnj n SER 166 N 0.44 0.57 -0.53 -1.43 3.41 -1.26 -1.67 113.62 113.15 2wnj n SER 166 Ca 0.10 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 2wnj n SER 166 Cb 0.39 -0.75 0.21 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.12 3.20 -4.74 4.04 7.64 -1.26 -5.03 113.62 115.36 2wnj n SER 167 Ca 0.03 -3.03 -0.41 0.00 1.01 0.00 0.00 58.87 56.46 2wnj n SER 167 Cb 0.24 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.82 3.34 -0.08 1.43 5.04 -0.67 -4.59 117.35 119.00 2wnj s TYR 168 Ca 0.37 1.33 -0.29 0.00 -2.44 0.00 0.00 57.07 56.04 2wnj s TYR 168 Cb 0.31 -3.51 -0.07 0.00 0.35 0.00 0.00 41.96 39.04 2wnj s TYR 168 CO 0.06 -1.52 2.05 -0.47 -1.34 0.00 0.00 175.55 174.33 2wnj s TYR 169 N 0.01 1.27 0.38 4.97 5.04 0.81 -4.87 117.35 124.96 2wnj s TYR 169 Ca 0.54 -0.00 0.39 0.00 -2.44 0.00 0.00 57.07 55.56 2wnj s TYR 169 Cb -0.34 -4.10 1.89 0.00 0.35 0.00 0.00 41.96 39.75 2wnj s TYR 169 CO 0.38 -4.83 2.18 0.00 -1.34 0.00 0.00 175.55 171.93 2wnj h ALA 170 N 12.43 1.00 -0.27 3.97 0.00 -1.90 -2.49 119.26 132.00 2wnj h ALA 170 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2wnj h ALA 170 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2wnj h ALA 170 CO 0.95 0.00 -0.00 0.43 0.00 0.00 0.00 179.25 180.63 2wnj n SER 171 N -3.09 3.68 -4.51 0.00 7.64 -1.26 -5.04 113.62 111.03 2wnj n SER 171 Ca -0.01 -3.12 -0.36 0.00 1.01 0.00 0.00 58.87 56.38 2wnj n SER 171 Cb 0.19 -0.56 0.07 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.62 -0.61 0.33 6.43 2.88 -0.94 -4.88 113.62 116.20 2wnj n SER 172 Ca 0.23 0.65 0.22 0.00 -1.33 0.00 0.00 58.87 58.63 2wnj n SER 172 Cb 0.91 -1.27 1.16 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.20 0.00 -5.09 -1.46 1.79 -1.90 -3.43 116.57 106.28 2wnj h LYS 173 Ca -0.46 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.51 2wnj h LYS 173 Cb 1.35 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.70 2wnj h LYS 173 CO 0.45 0.00 -0.81 0.71 -1.08 0.00 0.00 179.45 178.72 2wnj s TYR 174 N -4.14 1.35 0.08 -1.35 1.51 -1.26 -2.00 117.35 111.54 2wnj s TYR 174 Ca -0.04 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2wnj s TYR 174 Cb 0.13 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 2wnj s TYR 174 CO 0.43 -0.10 0.24 -1.83 -1.11 0.00 0.00 175.55 173.19 2wnj s GLU 175 N -0.03 3.47 -0.24 -0.62 -1.05 0.62 -4.76 118.70 116.10 2wnj s GLU 175 Ca -0.01 -0.40 -0.12 0.00 -0.15 0.00 0.00 54.97 54.29 2wnj s GLU 175 Cb -0.09 -3.00 -0.05 0.00 -0.44 0.00 0.00 34.13 30.56 2wnj s GLU 175 CO 0.01 0.58 0.24 0.42 0.95 0.00 0.00 175.26 177.46 2wnj s ILE 176 N -1.56 5.29 -0.05 1.83 -1.09 -1.26 -1.29 121.20 123.07 2wnj s ILE 176 Ca 0.36 0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 59.08 2wnj s ILE 176 Cb -0.13 -3.58 -0.28 0.00 -1.58 0.00 0.00 42.46 36.90 2wnj s ILE 176 CO 0.28 0.29 0.64 -0.07 -1.23 0.00 0.00 174.94 174.85 2wnj h LEU 177 N 7.80 0.42 -7.00 2.97 3.38 -0.84 -3.49 115.31 118.54 2wnj h LEU 177 Ca -0.36 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 56.90 2wnj h LEU 177 Cb 1.17 -0.14 -0.17 0.00 0.09 0.00 0.00 40.66 41.61 2wnj h LEU 177 CO 0.65 1.61 0.29 -0.94 0.09 0.00 0.00 178.44 180.14 2wnj s SER 178 N -6.98 -0.55 -0.20 -0.43 1.04 -1.06 -4.99 113.70 100.52 2wnj s SER 178 Ca -0.14 0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.59 2wnj s SER 178 Cb 0.06 0.50 0.10 0.00 0.10 0.00 0.00 66.02 66.78 2wnj s SER 178 CO 0.83 -0.68 0.41 0.00 0.98 0.00 0.00 173.24 174.78 2wnj s ALA 179 N -2.20 -1.14 0.17 5.32 0.00 -1.26 -0.59 121.76 122.06 2wnj s ALA 179 Ca -0.04 1.43 0.08 0.00 0.00 0.00 0.00 51.96 53.43 2wnj s ALA 179 Cb -0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 2wnj s ALA 179 CO -0.01 -0.81 -0.17 0.95 0.00 0.00 0.00 175.76 175.72 2wnj s THR 180 N 2.60 1.75 -0.14 0.00 -4.23 -0.62 -1.65 115.64 113.35 2wnj s THR 180 Ca 0.00 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 2wnj s THR 180 Cb -0.12 -1.84 0.04 0.00 1.34 0.00 0.00 72.50 71.92 2wnj s THR 180 CO -0.13 -0.37 0.01 0.00 -0.54 0.00 0.00 174.62 173.59 2wnj s GLN 181 N -2.91 0.77 -0.07 3.99 -2.07 0.58 -1.27 119.66 118.69 2wnj s GLN 181 Ca 0.16 -0.20 0.01 0.00 -1.82 0.00 0.00 55.36 53.51 2wnj s GLN 181 Cb -0.05 -1.60 0.02 0.00 -1.09 0.00 0.00 33.01 30.29 2wnj s GLN 181 CO 0.06 -0.46 -0.08 0.99 -1.32 0.00 0.00 175.29 174.49 2wnj s THR 182 N 1.87 0.84 0.26 3.63 2.01 -0.45 -4.20 115.64 119.61 2wnj s THR 182 Ca 0.02 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2wnj s THR 182 Cb -0.15 -0.83 -0.10 0.00 0.01 0.00 0.00 72.50 71.44 2wnj s THR 182 CO -0.07 0.30 1.32 -0.60 -0.69 0.00 0.00 174.62 174.88 2wnj s ARG 183 N 1.03 4.37 0.10 4.92 3.52 -1.26 -0.39 118.95 131.24 2wnj s ARG 183 Ca -0.09 2.14 0.04 0.00 -0.13 0.00 0.00 55.73 57.69 2wnj s ARG 183 Cb -0.14 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 2wnj s ARG 183 CO -0.00 -0.23 -0.11 -0.65 -0.81 0.00 0.00 175.30 173.50 2wnj s GLN 184 N -0.81 0.88 -0.16 5.12 -0.21 0.13 -4.92 119.66 119.69 2wnj s GLN 184 Ca 0.54 -1.15 -0.01 0.00 0.02 0.00 0.00 55.36 54.76 2wnj s GLN 184 Cb -0.38 -0.64 -0.00 0.00 1.00 0.00 0.00 33.01 32.98 2wnj s GLN 184 CO 0.44 0.11 -0.13 0.08 -2.12 0.00 0.00 175.29 173.68 2wnj s VAL 185 N -2.25 2.88 0.08 1.09 1.01 -1.26 -1.66 120.40 120.29 2wnj s VAL 185 Ca 0.05 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.41 2wnj s VAL 185 Cb -0.04 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2wnj s VAL 185 CO 0.01 0.50 -0.14 -1.10 0.00 0.00 0.00 175.10 174.37 2wnj s GLN 186 N 0.88 2.07 -0.27 2.72 -1.52 0.29 -4.97 119.66 118.86 2wnj s GLN 186 Ca -0.03 -1.01 0.03 0.00 -1.95 0.00 0.00 55.36 52.39 2wnj s GLN 186 Cb -0.15 -2.25 0.07 0.00 -0.22 0.00 0.00 33.01 30.46 2wnj s GLN 186 CO -0.00 0.52 -0.06 -1.01 -0.25 0.00 0.00 175.29 174.49 2wnj s HIS 187 N -1.08 3.11 -0.04 0.91 3.76 -1.26 -1.01 115.29 119.68 2wnj s HIS 187 Ca 0.18 -2.30 -0.03 0.00 -0.15 0.00 0.00 55.06 52.76 2wnj s HIS 187 Cb -0.11 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 2wnj s HIS 187 CO 0.09 -0.87 0.12 0.71 -0.85 0.00 0.00 174.74 173.95 2wnj s TYR 188 N 1.15 3.44 0.43 1.40 4.12 -1.26 -5.00 117.35 121.62 2wnj s TYR 188 Ca -0.04 0.33 0.28 0.00 0.02 0.00 0.00 57.07 57.65 2wnj s TYR 188 Cb -0.19 -1.82 1.48 0.00 -1.52 0.00 0.00 41.96 39.91 2wnj s TYR 188 CO -0.06 0.62 2.09 0.66 0.02 0.00 0.00 175.55 178.87 2wnj h SER 189 N 4.27 0.00 -0.31 2.29 4.64 -1.99 -2.43 113.55 120.02 2wnj h SER 189 Ca -0.50 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.91 2wnj h SER 189 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2wnj h SER 189 CO 0.63 0.11 0.27 0.00 -0.87 0.00 0.00 176.83 176.97 2wnj h PRO 192 N 7.33 0.08 -5.97 0.00 0.13 -1.87 -3.39 132.00 128.31 2wnj h PRO 192 Ca -0.34 -0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 64.15 2wnj h PRO 192 Cb 1.16 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2wnj h PRO 192 CO 0.29 0.39 -0.21 -1.21 -0.23 0.00 0.00 178.00 177.03 2wnj s GLU 193 N -4.33 3.93 0.55 0.86 2.02 -1.26 -5.02 118.70 115.46 2wnj s GLU 193 Ca -0.04 0.38 -0.20 0.00 0.02 0.00 0.00 54.97 55.14 2wnj s GLU 193 Cb 0.15 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 2wnj s GLU 193 CO 0.73 0.65 1.16 -1.25 0.02 0.00 0.00 175.26 176.57 2wnj s PRO 194 N -0.94 3.28 0.10 0.39 0.04 -1.26 -4.77 135.00 131.84 2wnj s PRO 194 Ca 0.23 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.02 2wnj s PRO 194 Cb -0.16 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2wnj s PRO 194 CO 0.13 -0.93 -0.02 0.71 0.04 0.00 0.00 177.00 176.93 2wnj s TYR 195 N -1.70 2.93 -0.05 0.56 2.02 -0.18 0.09 117.35 121.01 2wnj s TYR 195 Ca 0.73 -0.06 0.03 0.00 -0.37 0.00 0.00 57.07 57.40 2wnj s TYR 195 Cb -0.26 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 2wnj s TYR 195 CO 0.29 0.47 -0.11 0.42 -1.57 0.00 0.00 175.55 175.05 2wnj s ILE 196 N -1.35 3.31 0.14 2.71 -1.09 -1.26 -0.54 121.20 123.11 2wnj s ILE 196 Ca 0.25 -0.64 -0.00 0.00 -2.23 0.00 0.00 60.65 58.04 2wnj s ILE 196 Cb -0.11 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 2wnj s ILE 196 CO 0.18 0.59 0.03 1.51 -1.23 0.00 0.00 174.94 176.02 2wnj s ASP 197 N -0.78 0.60 -0.21 3.58 -4.77 -0.66 -4.32 116.67 110.11 2wnj s ASP 197 Ca 0.12 -1.18 -0.02 0.00 -3.30 0.00 0.00 52.55 48.17 2wnj s ASP 197 Cb -0.11 0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.96 2wnj s ASP 197 CO 0.01 -0.67 -0.08 -0.69 0.70 0.00 0.00 175.17 174.44 2wnj s VAL 198 N -3.92 3.00 -0.29 2.11 1.01 0.61 0.22 120.40 123.14 2wnj s VAL 198 Ca 0.22 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 2wnj s VAL 198 Cb 0.07 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2wnj s VAL 198 CO 0.01 0.44 0.49 0.21 0.00 0.00 0.00 175.10 176.25 2wnj s ASN 199 N 1.42 6.37 -0.27 3.32 3.04 0.47 -0.86 114.94 128.43 2wnj s ASN 199 Ca 0.05 0.33 -0.16 0.00 0.04 0.00 0.00 52.86 53.12 2wnj s ASN 199 Cb -0.14 -2.27 -0.03 0.00 -1.54 0.00 0.00 41.25 37.27 2wnj s ASN 199 CO -0.06 -0.33 0.41 -0.22 -3.04 0.00 0.00 177.10 173.86 2wnj s LEU 200 N 2.30 4.07 -0.17 3.21 2.96 0.55 -1.34 118.68 130.27 2wnj s LEU 200 Ca 0.20 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.42 2wnj s LEU 200 Cb -0.16 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.06 2wnj s LEU 200 CO 0.11 -0.23 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.04 2wnj s VAL 201 N 2.14 2.31 -0.08 1.68 1.01 -0.39 -0.96 120.40 126.10 2wnj s VAL 201 Ca 0.16 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2wnj s VAL 201 Cb -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.26 2wnj s VAL 201 CO 0.10 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.84 2wnj s VAL 202 N 1.09 1.70 -0.17 2.92 1.01 0.05 -1.59 120.40 125.41 2wnj s VAL 202 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2wnj s VAL 202 Cb -0.14 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2wnj s VAL 202 CO -0.07 0.48 -0.10 -0.75 0.00 0.00 0.00 175.10 174.66 2wnj s LYS 203 N 0.39 3.35 0.08 2.72 2.20 0.24 -1.22 119.74 127.50 2wnj s LYS 203 Ca -0.15 -0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 54.70 2wnj s LYS 203 Cb -0.17 -2.77 -0.00 0.00 -1.51 0.00 0.00 37.83 33.38 2wnj s LYS 203 CO 0.06 0.02 0.18 -0.59 -0.36 0.00 0.00 175.35 174.66 2wnj s PHE 204 N 0.87 0.15 0.09 4.03 -0.12 0.02 -0.07 117.98 122.94 2wnj s PHE 204 Ca -0.03 -0.55 -0.14 0.00 -0.05 0.00 0.00 56.93 56.16 2wnj s PHE 204 Cb -0.15 -0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.20 2wnj s PHE 204 CO 0.00 -0.52 0.34 -0.98 -0.05 0.00 0.00 175.22 174.01 2wnj s ARG 205 N -3.64 0.95 0.21 1.99 1.70 -0.41 -0.46 118.95 119.29 2wnj s ARG 205 Ca 0.03 -0.68 -0.32 0.00 -0.47 0.00 0.00 55.73 54.30 2wnj s ARG 205 Cb 0.04 0.41 -0.12 0.00 -0.57 0.00 0.00 34.95 34.72 2wnj s ARG 205 CO -0.10 -0.34 1.69 -1.21 -1.08 0.00 0.00 175.30 174.26 2wnj s GLU 206 N -3.41 4.14 -0.59 3.89 2.02 -0.01 -0.27 118.70 124.46 2wnj s GLU 206 Ca 0.01 2.58 -0.28 0.00 0.02 0.00 0.00 54.97 57.30 2wnj s GLU 206 Cb 0.02 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.20 2wnj s GLU 206 CO -0.09 -0.73 1.17 0.50 0.02 0.00 0.00 175.26 176.14 2wnj s ARG 207 N 1.04 3.47 0.00 1.61 3.52 -0.85 -4.72 118.95 123.03 2wnj s ARG 207 Ca 0.73 0.16 0.08 0.00 -0.13 0.00 0.00 55.73 56.57 2wnj s ARG 207 Cb -0.49 -4.03 0.06 0.00 -1.56 0.00 0.00 34.95 28.93 2wnj s ARG 207 CO 0.33 -1.69 0.74 0.54 -0.81 0.00 0.00 175.30 174.41