#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl h ASP -2 N 0.00 0.39 -0.21 1.67 5.19 -2.05 -0.86 116.42 120.54 2wnl h ASP -2 Ca 0.00 -0.28 -0.06 0.00 -0.62 0.00 0.00 57.03 56.07 2wnl h ASP -2 Cb 0.00 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 2wnl h ASP -2 CO 0.00 1.05 -0.10 0.11 -3.12 0.00 0.00 179.24 177.18 2wnl h LYS -1 N 0.19 0.43 -0.20 3.56 1.57 -2.04 -0.99 116.57 119.10 2wnl h LYS -1 Ca -0.04 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2wnl h LYS -1 Cb 1.41 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 2wnl h LYS -1 CO 0.13 0.72 0.21 1.25 -0.57 0.00 0.00 179.45 181.19 2wnl h LEU 0 N 0.14 0.00 0.43 2.94 5.85 -1.96 0.11 115.31 122.82 2wnl h LEU 0 Ca 0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2wnl h LEU 0 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2wnl h LEU 0 CO 0.03 0.00 -0.21 0.45 -0.34 0.00 0.00 178.44 178.37 2wnl h HIS 1 N 0.00 -0.54 -0.48 1.25 3.86 -0.69 -0.40 115.15 118.15 2wnl h HIS 1 Ca 0.09 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.39 2wnl h HIS 1 Cb 0.51 0.18 -0.10 0.00 1.06 0.00 0.00 27.41 29.05 2wnl h HIS 1 CO 0.00 -0.34 -0.27 0.66 0.86 0.00 0.00 177.93 178.84 2wnl h SER 2 N -1.12 -0.93 -0.76 2.45 4.64 -0.73 2.50 113.55 119.61 2wnl h SER 2 Ca -0.06 0.19 0.10 0.00 -0.47 0.00 0.00 61.79 61.56 2wnl h SER 2 Cb 0.45 0.47 -0.08 0.00 -0.31 0.00 0.00 62.40 62.93 2wnl h SER 2 CO 0.10 -0.28 0.39 1.56 -0.87 0.00 0.00 176.83 177.73 2wnl h GLN 3 N -0.16 0.62 -0.25 4.77 4.20 -0.92 0.18 115.11 123.54 2wnl h GLN 3 Ca 0.22 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2wnl h GLN 3 Cb 0.51 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 2wnl h GLN 3 CO -0.58 0.41 0.02 0.00 -0.67 0.00 0.00 178.83 178.01 2wnl h ALA 4 N 1.46 0.34 0.60 3.87 0.00 0.15 -1.57 119.26 124.09 2wnl h ALA 4 Ca 0.38 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2wnl h ALA 4 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wnl h ALA 4 CO -0.28 0.05 -0.42 -0.91 0.00 0.00 0.00 179.25 177.68 2wnl h ASN 5 N 0.22 -1.10 -0.81 0.00 2.35 0.45 -1.54 115.58 115.15 2wnl h ASN 5 Ca 0.07 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 56.03 2wnl h ASN 5 Cb 0.38 0.34 -0.09 0.00 0.05 0.00 0.00 38.32 39.00 2wnl h ASN 5 CO 0.01 -0.62 0.41 0.25 -1.65 0.00 0.00 177.43 175.83 2wnl h LEU 6 N -0.97 0.49 -1.20 1.61 5.85 -0.71 0.50 115.31 120.87 2wnl h LEU 6 Ca -0.08 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.80 2wnl h LEU 6 Cb 0.80 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 2wnl h LEU 6 CO 0.04 0.22 0.56 0.24 -0.34 0.00 0.00 178.44 179.17 2wnl h MET 7 N 0.60 0.92 0.20 1.25 2.86 -1.21 -2.44 114.93 117.11 2wnl h MET 7 Ca 0.44 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 2wnl h MET 7 Cb 0.59 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2wnl h MET 7 CO -0.35 0.61 -0.09 -0.09 1.06 0.00 0.00 176.91 178.04 2wnl h ARG 8 N 0.94 -0.25 -0.92 1.72 2.43 0.93 -2.73 114.38 116.50 2wnl h ARG 8 Ca 0.38 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.67 2wnl h ARG 8 Cb 0.26 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 29.74 2wnl h ARG 8 CO -0.15 0.14 -0.52 1.25 -1.51 0.00 0.00 179.97 179.18 2wnl h LEU 9 N -0.76 -1.89 -0.53 3.80 5.85 -0.65 -1.11 115.31 120.02 2wnl h LEU 9 Ca -0.03 0.31 0.07 0.00 0.84 0.00 0.00 57.88 59.07 2wnl h LEU 9 Cb 0.51 0.87 -0.06 0.00 0.37 0.00 0.00 40.66 42.35 2wnl h LEU 9 CO 0.04 -0.27 0.21 0.11 -0.34 0.00 0.00 178.44 178.19 2wnl h LYS 10 N -0.05 0.39 -0.04 1.25 1.57 -1.50 -1.57 116.57 116.62 2wnl h LYS 10 Ca 0.20 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2wnl h LYS 10 Cb 0.49 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2wnl h LYS 10 CO -0.90 0.26 -0.08 1.03 -0.57 0.00 0.00 179.45 179.19 2wnl h SER 11 N 0.40 0.05 0.07 0.86 0.87 -0.92 0.01 113.55 114.88 2wnl h SER 11 Ca 0.25 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.63 2wnl h SER 11 Cb 0.26 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2wnl h SER 11 CO -0.24 0.13 -0.74 0.44 -0.53 0.00 0.00 176.83 175.89 2wnl h ASP 12 N 0.05 0.54 -0.15 6.23 3.45 -0.31 -2.45 116.42 123.78 2wnl h ASP 12 Ca 0.01 -0.84 -0.17 0.00 0.43 0.00 0.00 57.03 56.46 2wnl h ASP 12 Cb 0.17 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2wnl h ASP 12 CO 0.01 1.32 -0.53 -0.07 -1.57 0.00 0.00 179.24 178.40 2wnl h LEU 13 N -0.18 0.81 0.00 1.55 3.38 -1.17 -3.20 115.31 116.50 2wnl h LEU 13 Ca -0.11 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2wnl h LEU 13 Cb 1.49 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2wnl h LEU 13 CO 0.14 1.19 -0.43 0.49 0.09 0.00 0.00 178.44 179.93 2wnl n PHE 14 N -3.99 0.19 0.14 1.13 3.72 -0.03 -4.27 117.46 114.35 2wnl n PHE 14 Ca -0.04 0.08 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 2wnl n PHE 14 Cb 0.61 -0.36 0.12 0.00 -0.94 0.00 0.00 39.48 38.91 2wnl n PHE 14 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2wnl h ASN 15 N -0.52 0.00 0.05 4.37 -0.26 -1.61 -3.32 115.58 114.28 2wnl h ASN 15 Ca 0.00 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.42 2wnl h ASN 15 Cb 0.43 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.65 2wnl h ASN 15 CO 0.00 0.59 -1.79 0.54 -1.06 0.00 0.00 177.43 175.71 2wnl n ARG 16 N -3.43 0.65 0.00 0.81 1.74 -0.96 -5.05 116.66 110.41 2wnl n ARG 16 Ca 0.00 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2wnl n ARG 16 Cb 0.69 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 2wnl n ARG 16 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2wnl n SER 17 N -3.97 0.00 -3.15 0.55 2.88 -1.21 -5.09 113.62 103.63 2wnl n SER 17 Ca -0.36 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.22 2wnl n SER 17 Cb 0.86 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.31 2wnl n SER 17 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2wnl s TYR 20 N 1.35 -1.35 -1.94 0.66 5.04 -1.26 -5.03 117.35 114.82 2wnl s TYR 20 Ca 0.00 1.38 0.01 0.00 -2.44 0.00 0.00 57.07 56.02 2wnl s TYR 20 Cb 0.00 0.45 0.02 0.00 0.35 0.00 0.00 41.96 42.79 2wnl s TYR 20 CO 0.00 -0.74 0.99 -0.35 -1.34 0.00 0.00 175.55 174.11 2wnl n PRO 21 N 5.43 1.07 0.00 4.97 -0.04 -1.26 -4.93 135.00 140.24 2wnl n PRO 21 Ca -0.02 -0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2wnl n PRO 21 Cb 0.52 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 2wnl n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnl n GLY 22 N 0.51 0.73 3.77 0.55 0.00 -1.26 -5.00 105.19 104.49 2wnl n GLY 22 Ca 0.01 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2wnl n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wnl s PRO 23 N -1.65 3.05 0.45 1.61 0.04 -1.26 -5.06 135.00 132.18 2wnl s PRO 23 Ca 0.00 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.63 2wnl s PRO 23 Cb 0.00 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2wnl s PRO 23 CO 0.00 -1.08 0.08 0.95 0.04 0.00 0.00 177.00 176.99 2wnl s THR 24 N -1.98 0.80 0.17 1.26 -4.23 -1.14 -4.94 115.64 105.59 2wnl s THR 24 Ca 0.71 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.39 2wnl s THR 24 Cb -0.23 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.43 2wnl s THR 24 CO 0.34 0.00 1.69 0.07 -0.54 0.00 0.00 174.62 176.18 2wnl h LYS 25 N 1.61 0.00 0.00 3.99 2.10 -1.93 -1.69 116.57 120.65 2wnl h LYS 25 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2wnl h LYS 25 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2wnl h LYS 25 CO 0.63 0.43 -0.32 -0.25 -2.00 0.00 0.00 179.45 177.94 2wnl n ASP 26 N -3.57 0.43 -3.09 7.07 8.00 -1.26 -4.27 116.55 119.86 2wnl n ASP 26 Ca -0.00 0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 2wnl n ASP 26 Cb 0.54 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 2wnl n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wnl n ASP 27 N -1.72 1.51 -4.69 -2.24 2.03 -0.97 -5.12 116.55 105.34 2wnl n ASP 27 Ca 0.05 -3.10 -0.30 0.00 0.52 0.00 0.00 54.79 51.96 2wnl n ASP 27 Cb 0.37 -0.60 0.15 0.00 -0.72 0.00 0.00 41.12 40.32 2wnl n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wnl s PRO 28 N -2.67 1.16 0.01 -0.67 0.04 -0.67 -2.89 135.00 129.31 2wnl s PRO 28 Ca 0.40 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.57 2wnl s PRO 28 Cb 0.35 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 33.10 2wnl s PRO 28 CO -0.08 -2.39 -0.09 -1.17 0.04 0.00 0.00 177.00 173.32 2wnl s LEU 29 N -6.37 2.10 -0.15 -3.56 2.96 -0.28 -4.93 118.68 108.44 2wnl s LEU 29 Ca 0.64 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 2wnl s LEU 29 Cb -0.20 -0.37 -0.01 0.00 0.50 0.00 0.00 46.19 46.12 2wnl s LEU 29 CO 0.58 0.02 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.59 2wnl s THR 30 N -0.56 2.77 -0.12 3.68 2.01 -1.26 -0.62 115.64 121.55 2wnl s THR 30 Ca -0.00 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 2wnl s THR 30 Cb -0.05 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 2wnl s THR 30 CO 0.00 0.51 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 2wnl s VAL 31 N 0.71 3.61 -0.27 3.82 1.01 0.31 -4.54 120.40 125.04 2wnl s VAL 31 Ca -0.07 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 2wnl s VAL 31 Cb -0.16 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2wnl s VAL 31 CO 0.02 0.54 0.18 -0.89 0.00 0.00 0.00 175.10 174.94 2wnl s THR 32 N -0.07 5.25 0.02 3.92 2.01 -0.27 -0.95 115.64 125.55 2wnl s THR 32 Ca 0.00 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2wnl s THR 32 Cb -0.13 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2wnl s THR 32 CO 0.03 0.27 0.07 -0.76 -0.69 0.00 0.00 174.62 173.54 2wnl s LEU 33 N 1.65 3.84 -0.02 4.42 1.43 0.30 -2.14 118.68 128.16 2wnl s LEU 33 Ca 0.07 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 2wnl s LEU 33 Cb -0.16 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.77 2wnl s LEU 33 CO 0.10 0.24 0.41 -0.83 0.23 0.00 0.00 176.35 176.50 2wnl s GLY 34 N -1.94 -0.27 -0.02 -3.19 0.00 -0.87 -4.37 107.32 96.65 2wnl s GLY 34 Ca 0.25 0.60 0.06 0.00 0.00 0.00 0.00 44.72 45.63 2wnl s GLY 34 CO 0.16 0.35 -0.22 -1.36 0.00 0.00 0.00 173.10 172.03 2wnl s PHE 35 N -1.29 1.98 -0.29 1.90 0.08 -1.26 -1.04 117.98 118.06 2wnl s PHE 35 Ca -0.13 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.52 2wnl s PHE 35 Cb -0.04 -1.29 0.08 0.00 -0.57 0.00 0.00 43.02 41.21 2wnl s PHE 35 CO 0.06 -0.07 -0.01 0.99 -0.10 0.00 0.00 175.22 176.08 2wnl s THR 36 N -0.41 2.00 -0.11 0.64 2.01 -0.39 -1.54 115.64 117.85 2wnl s THR 36 Ca 0.06 -1.86 -0.27 0.00 0.31 0.00 0.00 61.69 59.93 2wnl s THR 36 Cb -0.09 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2wnl s THR 36 CO 0.00 -0.34 0.88 -0.22 -0.69 0.00 0.00 174.62 174.25 2wnl s LEU 37 N 1.11 4.24 -0.24 4.42 2.96 -1.11 -1.11 118.68 128.95 2wnl s LEU 37 Ca 0.02 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.28 2wnl s LEU 37 Cb -0.19 -3.34 -0.15 0.00 0.50 0.00 0.00 46.19 43.01 2wnl s LEU 37 CO -0.08 -0.35 -0.21 0.00 -1.32 0.00 0.00 176.35 174.39 2wnl n GLN 38 N 4.76 0.59 -3.58 1.98 6.02 -0.60 -3.75 117.38 122.80 2wnl n GLN 38 Ca 0.05 0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 57.04 2wnl n GLN 38 Cb 0.49 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 2wnl n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wnl s ASP 39 N -6.30 -0.62 -0.40 1.08 2.15 -0.91 -0.21 116.67 111.47 2wnl s ASP 39 Ca -0.32 0.95 -0.12 0.00 0.43 0.00 0.00 52.55 53.49 2wnl s ASP 39 Cb 0.08 0.88 0.04 0.00 -0.30 0.00 0.00 42.92 43.61 2wnl s ASP 39 CO 0.54 -0.38 0.26 -0.63 -0.17 0.00 0.00 175.17 174.79 2wnl s ILE 40 N -0.42 4.80 0.02 4.11 1.01 -1.26 -1.10 121.20 128.36 2wnl s ILE 40 Ca -0.04 -0.88 0.09 0.00 0.00 0.00 0.00 60.65 59.82 2wnl s ILE 40 Cb -0.03 -3.72 -0.23 0.00 0.01 0.00 0.00 42.46 38.49 2wnl s ILE 40 CO 0.03 -0.32 0.91 0.58 0.00 0.00 0.00 174.94 176.14 2wnl h VAL 41 N 5.82 1.19 -1.71 2.92 2.07 -1.62 -3.41 116.25 121.51 2wnl h VAL 41 Ca -0.26 -2.97 0.09 0.00 0.82 0.00 0.00 66.70 64.38 2wnl h VAL 41 Cb 1.11 2.61 -0.22 0.00 -1.52 0.00 0.00 31.29 33.27 2wnl h VAL 41 CO 0.72 0.71 0.08 -0.75 0.02 0.00 0.00 177.57 178.34 2wnl s LYS 42 N -2.64 0.52 -0.13 1.57 2.20 -1.24 -4.96 119.74 115.06 2wnl s LYS 42 Ca -0.03 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2wnl s LYS 42 Cb 0.09 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.84 2wnl s LYS 42 CO 0.82 -0.14 -0.14 0.00 -0.36 0.00 0.00 175.35 175.53 2wnl s ALA 43 N 2.18 2.56 -0.31 3.13 0.00 -1.26 -0.26 121.76 127.80 2wnl s ALA 43 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.98 2wnl s ALA 43 Cb -0.07 -1.18 0.07 0.00 0.00 0.00 0.00 23.12 21.94 2wnl s ALA 43 CO -0.18 0.21 -0.00 0.34 0.00 0.00 0.00 175.76 176.12 2wnl s ASP 44 N 0.42 4.76 0.18 0.00 -1.08 0.07 -4.97 116.67 116.04 2wnl s ASP 44 Ca -0.11 -1.60 0.26 0.00 -0.52 0.00 0.00 52.55 50.58 2wnl s ASP 44 Cb -0.16 -1.65 0.90 0.00 -1.46 0.00 0.00 42.92 40.55 2wnl s ASP 44 CO 0.05 -0.30 1.78 -1.54 0.52 0.00 0.00 175.17 175.68 2wnl n SER 45 N 4.47 0.63 0.12 -0.34 3.41 -1.26 -0.21 113.62 120.45 2wnl n SER 45 Ca -0.09 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2wnl n SER 45 Cb 0.42 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 2wnl n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wnl h SER 46 N 0.00 0.00 0.00 4.04 4.64 -1.96 -3.35 113.55 116.92 2wnl h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 46 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2wnl h SER 46 CO 0.00 0.61 -0.37 0.35 -0.87 0.00 0.00 176.83 176.55 2wnl n THR 47 N -3.24 0.00 -3.24 2.95 -2.24 -1.19 -5.04 114.28 102.29 2wnl n THR 47 Ca 0.01 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 2wnl n THR 47 Cb 0.78 0.85 0.08 0.00 -2.10 0.00 0.00 70.33 69.94 2wnl n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wnl n ASN 48 N -1.19 -2.55 -4.16 3.42 3.02 0.71 -4.97 115.26 109.54 2wnl n ASN 48 Ca 0.00 -0.56 -0.29 0.00 -0.03 0.00 0.00 54.58 53.71 2wnl n ASN 48 Cb 0.04 -4.61 -0.17 0.00 -0.61 0.00 0.00 39.78 34.44 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnl s GLU 49 N -5.08 2.37 0.04 3.52 2.02 -1.07 -1.65 118.70 118.86 2wnl s GLU 49 Ca 0.05 -0.71 0.07 0.00 0.02 0.00 0.00 54.97 54.41 2wnl s GLU 49 Cb -0.01 -1.89 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 2wnl s GLU 49 CO 0.65 0.18 -0.18 0.08 0.02 0.00 0.00 175.26 176.01 2wnl s VAL 50 N 0.29 2.81 -0.21 2.63 1.01 -0.56 -0.75 120.40 125.61 2wnl s VAL 50 Ca -0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 60.63 2wnl s VAL 50 Cb -0.15 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2wnl s VAL 50 CO 0.05 0.33 -0.05 -1.81 0.00 0.00 0.00 175.10 173.62 2wnl s ASP 51 N -1.47 4.22 -0.06 3.32 1.11 0.64 -1.39 116.67 123.05 2wnl s ASP 51 Ca 0.15 -0.40 0.02 0.00 0.18 0.00 0.00 52.55 52.49 2wnl s ASP 51 Cb -0.11 -1.72 -0.03 0.00 1.07 0.00 0.00 42.92 42.14 2wnl s ASP 51 CO 0.05 -0.01 -0.09 -0.76 1.18 0.00 0.00 175.17 175.54 2wnl s LEU 52 N 1.42 3.03 -0.13 1.23 1.43 -0.34 -1.42 118.68 123.90 2wnl s LEU 52 Ca 0.05 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 2wnl s LEU 52 Cb -0.14 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2wnl s LEU 52 CO -0.04 0.36 0.07 -0.69 0.23 0.00 0.00 176.35 176.28 2wnl s VAL 53 N -0.79 4.91 0.12 -1.59 1.01 -0.25 -0.89 120.40 122.92 2wnl s VAL 53 Ca 0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 2wnl s VAL 53 Cb -0.11 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.20 2wnl s VAL 53 CO 0.01 0.56 1.02 -0.72 0.00 0.00 0.00 175.10 175.98 2wnl s TYR 54 N -0.54 -0.11 0.20 5.22 -0.85 -0.97 -1.55 117.35 118.74 2wnl s TYR 54 Ca 0.11 -0.16 0.08 0.00 -0.52 0.00 0.00 57.07 56.58 2wnl s TYR 54 Cb -0.12 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 2wnl s TYR 54 CO 0.02 -0.73 -0.14 1.52 -1.52 0.00 0.00 175.55 174.70 2wnl s TYR 55 N -3.13 1.69 -0.29 -3.49 -0.85 -0.27 -1.11 117.35 109.90 2wnl s TYR 55 Ca 0.13 -0.58 0.02 0.00 -0.52 0.00 0.00 57.07 56.12 2wnl s TYR 55 Cb -0.00 -0.79 0.08 0.00 0.38 0.00 0.00 41.96 41.63 2wnl s TYR 55 CO 0.01 0.34 0.01 -2.00 -1.52 0.00 0.00 175.55 172.39 2wnl s GLU 56 N -3.61 1.46 -0.11 -3.49 2.12 -0.89 -1.26 118.70 112.92 2wnl s GLU 56 Ca 0.22 -1.37 -0.30 0.00 0.36 0.00 0.00 54.97 53.88 2wnl s GLU 56 Cb -0.01 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 2wnl s GLU 56 CO 0.06 -0.80 1.15 -1.14 -0.54 0.00 0.00 175.26 174.00 2wnl s GLN 57 N 1.23 4.33 -0.06 4.30 0.74 -0.20 -3.45 119.66 126.54 2wnl s GLN 57 Ca 0.03 1.57 0.06 0.00 0.05 0.00 0.00 55.36 57.07 2wnl s GLN 57 Cb -0.19 -3.61 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 2wnl s GLN 57 CO -0.11 -0.49 -0.24 -0.65 -0.55 0.00 0.00 175.29 173.25 2wnl s GLN 58 N 2.55 2.49 -0.03 1.67 -0.21 0.23 -2.06 119.66 124.30 2wnl s GLN 58 Ca 0.52 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 2wnl s GLN 58 Cb -0.21 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.73 2wnl s GLN 58 CO 0.18 0.35 0.06 0.50 -2.12 0.00 0.00 175.29 174.25 2wnl s ARG 59 N -0.10 0.01 0.27 2.91 3.52 -0.91 -1.21 118.95 123.45 2wnl s ARG 59 Ca -0.05 0.19 -0.19 0.00 -0.13 0.00 0.00 55.73 55.55 2wnl s ARG 59 Cb -0.14 -0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.12 2wnl s ARG 59 CO 0.04 -0.12 0.65 1.67 -0.81 0.00 0.00 175.30 176.73 2wnl s TRP 60 N 0.77 -0.03 -0.03 5.12 -2.14 -0.99 -1.11 118.94 120.52 2wnl s TRP 60 Ca -0.06 -0.40 0.01 0.00 2.66 0.00 0.00 56.10 58.31 2wnl s TRP 60 Cb -0.09 0.55 0.02 0.00 -3.10 0.00 0.00 33.47 30.85 2wnl s TRP 60 CO -0.03 -1.16 -0.05 0.21 -2.66 0.00 0.00 176.95 173.26 2wnl s LYS 61 N -3.95 0.79 -0.12 3.25 2.20 -1.26 0.74 119.74 121.39 2wnl s LYS 61 Ca 0.14 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 2wnl s LYS 61 Cb -0.04 -0.78 0.02 0.00 -1.51 0.00 0.00 37.83 35.52 2wnl s LYS 61 CO 0.07 -0.02 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.43 2wnl s LEU 62 N 0.62 1.42 0.53 5.43 1.43 0.20 -4.94 118.68 123.37 2wnl s LEU 62 Ca -0.08 -0.36 0.19 0.00 -1.03 0.00 0.00 54.13 52.85 2wnl s LEU 62 Cb -0.12 -0.95 1.38 0.00 0.03 0.00 0.00 46.19 46.53 2wnl s LEU 62 CO 0.00 -0.07 2.16 0.78 0.23 0.00 0.00 176.35 179.45 2wnl h ASN 63 N 7.94 0.00 0.00 2.29 2.35 -1.87 -1.43 115.58 124.86 2wnl h ASN 63 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2wnl h ASN 63 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 2wnl h ASN 63 CO 0.46 0.02 0.00 -1.54 -1.65 0.00 0.00 177.43 174.72 2wnl n SER 64 N -4.33 0.00 -0.25 5.81 3.41 -1.26 -2.36 113.62 114.63 2wnl n SER 64 Ca -0.03 -1.65 0.09 0.00 -0.26 0.00 0.00 58.87 57.02 2wnl n SER 64 Cb 0.11 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.22 2wnl n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wnl n LEU 65 N -0.52 2.54 -4.82 1.04 4.77 -0.54 -4.97 117.00 114.51 2wnl n LEU 65 Ca 0.01 -3.29 -0.38 0.00 -0.03 0.00 0.00 56.01 52.32 2wnl n LEU 65 Cb 0.00 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 2wnl n LEU 65 CO 0.01 0.88 0.08 -0.04 -1.33 0.00 0.00 177.39 176.99 2wnl s MET 66 N -2.97 3.97 0.04 3.23 -1.94 -1.00 -3.47 119.30 117.16 2wnl s MET 66 Ca 0.34 0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 54.64 2wnl s MET 66 Cb 0.31 -3.26 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 2wnl s MET 66 CO 0.01 0.60 0.04 1.67 -0.01 0.00 0.00 175.02 177.33 2wnl s TRP 67 N -0.74 0.28 -0.25 -0.03 -2.14 -0.97 -4.99 118.94 110.10 2wnl s TRP 67 Ca 0.23 -0.62 -0.21 0.00 2.66 0.00 0.00 56.10 58.16 2wnl s TRP 67 Cb -0.16 -0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 29.99 2wnl s TRP 67 CO 0.12 -0.33 0.66 0.34 -2.66 0.00 0.00 176.95 175.07 2wnl s ASP 68 N -2.14 6.62 0.46 -2.66 2.15 -1.26 -4.73 116.67 115.11 2wnl s ASP 68 Ca -0.05 0.76 0.22 0.00 0.43 0.00 0.00 52.55 53.91 2wnl s ASP 68 Cb -0.01 -2.35 1.22 0.00 -0.30 0.00 0.00 42.92 41.48 2wnl s ASP 68 CO -0.05 -0.39 1.86 -0.65 -0.17 0.00 0.00 175.17 175.78 2wnl h PRO 69 N 7.84 0.26 0.00 4.34 0.11 -1.94 -1.81 132.00 140.80 2wnl h PRO 69 Ca -0.26 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2wnl h PRO 69 Cb 1.12 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wnl h PRO 69 CO 0.79 0.17 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.74 2wnl h ASN 70 N 0.26 0.00 0.73 -2.05 2.35 -1.93 0.23 115.58 115.17 2wnl h ASN 70 Ca 0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.21 2wnl h ASN 70 Cb 1.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.73 2wnl h ASN 70 CO -0.13 0.09 0.00 -0.62 -1.65 0.00 0.00 177.43 175.13 2wnl n GLU 71 N -4.33 0.05 -2.67 0.81 1.02 -0.68 -4.31 120.64 110.53 2wnl n GLU 71 Ca -0.03 0.21 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 2wnl n GLU 71 Cb 0.17 -1.58 0.03 0.00 -0.02 0.00 0.00 31.44 30.04 2wnl n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wnl n TYR 72 N -1.66 1.32 -2.14 -0.32 4.01 0.27 -4.98 117.16 113.65 2wnl n TYR 72 Ca 0.04 -2.70 -0.18 0.00 -0.16 0.00 0.00 57.90 54.91 2wnl n TYR 72 Cb 0.24 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.90 2wnl n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wnl n GLY 73 N -0.18 0.18 3.35 2.72 0.00 -1.16 -2.62 105.19 107.48 2wnl n GLY 73 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2wnl n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wnl n ASN 74 N -1.66 -5.61 -4.72 1.61 5.03 0.54 -4.99 115.26 105.46 2wnl n ASN 74 Ca -0.20 -0.48 -0.42 0.00 0.87 0.00 0.00 54.58 54.35 2wnl n ASN 74 Cb 0.64 -4.54 -0.04 0.00 -1.02 0.00 0.00 39.78 34.83 2wnl n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wnl s ILE 75 N -3.29 4.80 -0.13 2.41 1.01 -1.08 -4.94 121.20 119.98 2wnl s ILE 75 Ca 0.48 1.99 0.19 0.00 0.00 0.00 0.00 60.65 63.32 2wnl s ILE 75 Cb -0.21 -4.29 -0.28 0.00 0.01 0.00 0.00 42.46 37.69 2wnl s ILE 75 CO 0.65 0.21 0.23 0.35 0.00 0.00 0.00 174.94 176.38 2wnl n THR 76 N 3.60 0.82 -3.49 2.92 -2.24 -1.26 -4.51 114.28 110.11 2wnl n THR 76 Ca 0.04 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 2wnl n THR 76 Cb 0.51 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 2wnl n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wnl s ASP 77 N -5.07 -0.44 0.14 3.42 1.47 -1.26 -1.30 116.67 113.63 2wnl s ASP 77 Ca -0.09 -0.05 -0.08 0.00 1.18 0.00 0.00 52.55 53.51 2wnl s ASP 77 Cb 0.09 0.50 -0.01 0.00 -0.34 0.00 0.00 42.92 43.16 2wnl s ASP 77 CO 0.85 -0.82 0.23 0.72 0.68 0.00 0.00 175.17 176.83 2wnl s PHE 78 N -3.45 0.39 0.08 2.11 -0.12 -0.46 -4.99 117.98 111.54 2wnl s PHE 78 Ca 0.04 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.12 2wnl s PHE 78 Cb -0.01 -0.11 -0.05 0.00 -0.63 0.00 0.00 43.02 42.22 2wnl s PHE 78 CO -0.10 -0.65 0.28 1.03 -0.05 0.00 0.00 175.22 175.74 2wnl s ARG 79 N -3.95 3.53 -0.13 1.99 3.00 -1.26 -0.65 118.95 121.48 2wnl s ARG 79 Ca 0.15 -0.25 -0.21 0.00 0.00 0.00 0.00 55.73 55.42 2wnl s ARG 79 Cb 0.04 -2.97 0.05 0.00 0.00 0.00 0.00 34.95 32.07 2wnl s ARG 79 CO -0.03 0.56 0.54 -0.08 0.00 0.00 0.00 175.30 176.29 2wnl s THR 80 N -1.53 0.01 0.11 0.02 -1.32 -0.19 -4.96 115.64 107.78 2wnl s THR 80 Ca 0.36 -0.09 -0.35 0.00 -1.21 0.00 0.00 61.69 60.39 2wnl s THR 80 Cb -0.13 -0.80 -0.16 0.00 -1.51 0.00 0.00 72.50 69.90 2wnl s THR 80 CO 0.25 -0.05 1.29 -0.24 -2.21 0.00 0.00 174.62 173.66 2wnl n SER 81 N 2.02 1.58 0.30 8.08 2.88 -1.26 -0.87 113.62 126.35 2wnl n SER 81 Ca -0.16 1.13 0.19 0.00 -1.33 0.00 0.00 58.87 58.69 2wnl n SER 81 Cb 0.56 -1.20 1.02 0.00 -0.75 0.00 0.00 64.21 63.84 2wnl n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wnl h ALA 82 N 4.22 1.33 0.00 -1.46 0.00 -0.81 0.30 119.26 122.85 2wnl h ALA 82 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wnl h ALA 82 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wnl h ALA 82 CO 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.89 2wnl h ALA 83 N 1.84 1.00 0.00 0.00 0.00 -1.88 -3.07 119.26 117.15 2wnl h ALA 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wnl h ALA 83 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wnl h ALA 83 CO -0.00 0.00 -0.11 -0.25 0.00 0.00 0.00 179.25 178.89 2wnl n ASP 84 N -2.55 0.35 -4.32 0.00 8.00 0.10 -4.89 116.55 113.23 2wnl n ASP 84 Ca 0.02 0.40 -0.21 0.00 0.71 0.00 0.00 54.79 55.71 2wnl n ASP 84 Cb 0.29 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.85 2wnl n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wnl s ILE 85 N -3.04 0.87 0.22 0.53 -4.36 -1.16 -4.97 121.20 109.29 2wnl s ILE 85 Ca 0.12 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.24 2wnl s ILE 85 Cb 0.16 -2.64 -0.09 0.00 1.25 0.00 0.00 42.46 41.14 2wnl s ILE 85 CO 0.58 0.00 0.87 0.86 0.24 0.00 0.00 174.94 177.50 2wnl s TRP 86 N -3.40 3.92 0.05 1.37 -0.00 -1.26 -4.96 118.94 114.66 2wnl s TRP 86 Ca 0.34 1.78 0.03 0.00 -0.00 0.00 0.00 56.10 58.26 2wnl s TRP 86 Cb 0.07 -2.88 -0.02 0.00 -0.00 0.00 0.00 33.47 30.63 2wnl s TRP 86 CO 0.15 0.46 -0.10 0.95 -0.00 0.00 0.00 176.95 178.40 2wnl s THR 87 N -1.22 0.78 0.51 5.86 -4.23 -1.26 -5.11 115.64 110.97 2wnl s THR 87 Ca 0.40 -1.11 -0.20 0.00 -1.18 0.00 0.00 61.69 59.60 2wnl s THR 87 Cb -0.24 -0.79 -0.07 0.00 1.34 0.00 0.00 72.50 72.74 2wnl s THR 87 CO 0.29 -0.27 1.09 -2.16 -0.54 0.00 0.00 174.62 173.02 2wnl s PRO 88 N -1.53 3.59 -0.78 3.99 0.04 -1.26 -4.96 135.00 134.09 2wnl s PRO 88 Ca -0.06 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 2wnl s PRO 88 Cb -0.09 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.53 2wnl s PRO 88 CO 0.01 -0.63 2.49 -0.40 0.04 0.00 0.00 177.00 178.50 2wnl n ASP 89 N -1.11 7.10 -4.61 6.66 5.75 -1.26 -4.98 116.55 124.11 2wnl n ASP 89 Ca 0.10 -3.33 -0.43 0.00 -0.01 0.00 0.00 54.79 51.13 2wnl n ASP 89 Cb 0.52 -1.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.34 2wnl n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wnl s ILE 90 N -2.58 3.53 0.08 2.12 -1.09 -1.26 -3.19 121.20 118.81 2wnl s ILE 90 Ca 0.55 0.56 0.08 0.00 -2.23 0.00 0.00 60.65 59.61 2wnl s ILE 90 Cb 0.33 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 2wnl s ILE 90 CO -0.21 -0.38 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.03 2wnl s THR 91 N 6.36 2.68 0.14 2.92 2.01 0.15 -4.85 115.64 125.05 2wnl s THR 91 Ca 0.78 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 2wnl s THR 91 Cb -0.23 -2.16 -0.07 0.00 0.01 0.00 0.00 72.50 70.05 2wnl s THR 91 CO 0.33 0.24 0.93 0.00 -0.69 0.00 0.00 174.62 175.42 2wnl s ALA 92 N -1.00 3.29 -0.80 7.40 0.00 -1.26 -1.54 121.76 127.85 2wnl s ALA 92 Ca 0.15 0.55 0.26 0.00 0.00 0.00 0.00 51.96 52.92 2wnl s ALA 92 Cb -0.10 -3.22 0.66 0.00 0.00 0.00 0.00 23.12 20.46 2wnl s ALA 92 CO 0.07 0.07 1.57 0.66 0.00 0.00 0.00 175.76 178.12 2wnl n TYR 93 N 2.36 0.44 -2.65 0.00 4.02 -0.09 -4.09 117.16 117.15 2wnl n TYR 93 Ca 0.00 0.13 -0.06 0.00 -0.01 0.00 0.00 57.90 57.96 2wnl n TYR 93 Cb 0.49 -0.62 0.04 0.00 -0.02 0.00 0.00 39.34 39.23 2wnl n TYR 93 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wnl n SER 94 N -1.92 2.35 -4.79 7.72 3.41 -1.26 -5.03 113.62 114.10 2wnl n SER 94 Ca 0.05 -2.43 -0.34 0.00 -0.26 0.00 0.00 58.87 55.90 2wnl n SER 94 Cb 0.40 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2wnl n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wnl s SER 95 N -3.75 5.88 0.00 4.04 1.04 -1.26 -2.21 113.70 117.43 2wnl s SER 95 Ca 0.33 1.96 0.09 0.00 0.48 0.00 0.00 55.95 58.81 2wnl s SER 95 Cb 0.34 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.89 2wnl s SER 95 CO -0.02 -1.10 0.58 0.35 0.98 0.00 0.00 173.24 174.02 2wnl n THR 96 N -1.55 0.00 -3.80 2.02 -2.24 -0.41 -4.89 114.28 103.42 2wnl n THR 96 Ca 0.10 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2wnl n THR 96 Cb 0.52 1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 2wnl n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wnl s ARG 97 N -1.37 0.84 0.32 -0.78 0.52 -1.25 -5.05 118.95 112.18 2wnl s ARG 97 Ca 0.07 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 2wnl s ARG 97 Cb 0.07 0.35 -0.11 0.00 0.52 0.00 0.00 34.95 35.78 2wnl s ARG 97 CO 0.25 -0.28 1.58 -2.30 0.02 0.00 0.00 175.30 174.58 2wnl n PRO 98 N 0.17 2.73 -1.82 3.54 -0.02 -1.26 -4.69 135.00 133.64 2wnl n PRO 98 Ca -0.17 0.97 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 2wnl n PRO 98 Cb 0.61 -2.74 0.04 0.00 -0.02 0.00 0.00 33.50 31.39 2wnl n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wnl s VAL 99 N -0.28 2.15 -0.12 -1.45 1.01 -1.26 -4.87 120.40 115.58 2wnl s VAL 99 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2wnl s VAL 99 Cb -0.48 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2wnl s VAL 99 CO 0.52 -0.00 -0.14 -1.10 0.00 0.00 0.00 175.10 174.38 2wnl s GLN 100 N -2.88 3.33 -0.18 2.72 -0.21 -0.77 -4.99 119.66 116.68 2wnl s GLN 100 Ca 0.71 -0.71 -0.16 0.00 0.02 0.00 0.00 55.36 55.22 2wnl s GLN 100 Cb -0.40 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 2wnl s GLN 100 CO 0.47 0.22 0.40 0.08 -2.12 0.00 0.00 175.29 174.34 2wnl s VAL 101 N 0.33 5.21 -1.10 1.09 1.01 -1.26 -0.79 120.40 124.89 2wnl s VAL 101 Ca -0.12 0.75 0.13 0.00 0.00 0.00 0.00 61.98 62.74 2wnl s VAL 101 Cb -0.16 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2wnl s VAL 101 CO 0.06 0.29 0.71 0.18 0.00 0.00 0.00 175.10 176.34 2wnl n LEU 102 N 4.15 1.28 -4.31 3.92 4.77 -0.27 -4.97 117.00 121.58 2wnl n LEU 102 Ca -0.08 -0.72 -0.17 0.00 -0.03 0.00 0.00 56.01 55.01 2wnl n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2wnl n LEU 102 CO 0.41 0.26 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.38 2wnl s SER 103 N -1.71 2.16 0.52 -1.43 1.04 -1.25 -4.93 113.70 108.10 2wnl s SER 103 Ca 0.10 -1.06 -0.22 0.00 0.48 0.00 0.00 55.95 55.25 2wnl s SER 103 Cb 0.10 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 2wnl s SER 103 CO 0.36 -0.30 1.25 -2.65 0.98 0.00 0.00 173.24 172.88 2wnl n PRO 104 N -0.33 1.60 -2.53 4.02 -0.02 -1.26 -4.85 135.00 131.64 2wnl n PRO 104 Ca -0.08 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 2wnl n PRO 104 Cb 0.61 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.67 2wnl n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wnl n GLN 105 N -0.67 3.90 -4.76 -0.52 1.13 -1.26 -4.87 117.38 110.32 2wnl n GLN 105 Ca 0.10 -3.84 -0.25 0.00 -1.94 0.00 0.00 57.00 51.07 2wnl n GLN 105 Cb 0.43 -2.80 -0.16 0.00 0.11 0.00 0.00 30.24 27.83 2wnl n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wnl s ILE 106 N -0.61 1.32 0.26 5.09 1.01 -1.26 -0.07 121.20 126.93 2wnl s ILE 106 Ca 0.37 -0.66 0.11 0.00 0.00 0.00 0.00 60.65 60.47 2wnl s ILE 106 Cb 0.08 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 2wnl s ILE 106 CO 0.04 0.38 -0.17 0.00 0.00 0.00 0.00 174.94 175.19 2wnl s ALA 107 N -0.01 2.80 -0.22 9.38 0.00 -0.05 -4.64 121.76 129.02 2wnl s ALA 107 Ca -0.02 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 2wnl s ALA 107 Cb -0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2wnl s ALA 107 CO 0.01 0.32 0.04 0.08 0.00 0.00 0.00 175.76 176.21 2wnl s VAL 108 N -2.27 4.22 -0.16 0.00 1.01 -0.94 -1.02 120.40 121.24 2wnl s VAL 108 Ca 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 2wnl s VAL 108 Cb -0.06 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2wnl s VAL 108 CO 0.15 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.96 2wnl s VAL 109 N 1.22 4.34 0.03 2.92 1.01 0.17 -2.12 120.40 127.98 2wnl s VAL 109 Ca 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2wnl s VAL 109 Cb -0.14 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 2wnl s VAL 109 CO 0.02 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.67 2wnl s THR 110 N 0.18 3.68 0.65 3.92 2.01 -0.48 -1.36 115.64 124.24 2wnl s THR 110 Ca 0.01 -0.89 0.23 0.00 0.31 0.00 0.00 61.69 61.36 2wnl s THR 110 Cb -0.13 -2.65 0.25 0.00 0.01 0.00 0.00 72.50 69.98 2wnl s THR 110 CO 0.02 0.30 1.68 1.12 -0.69 0.00 0.00 174.62 177.05 2wnl h HIS 111 N 4.18 0.00 0.00 4.92 2.07 -1.49 0.46 115.15 125.28 2wnl h HIS 111 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2wnl h HIS 111 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2wnl h HIS 111 CO 0.59 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.05 2wnl n ASP 112 N -2.97 0.00 0.00 3.10 5.68 -1.26 -2.29 116.55 118.82 2wnl n ASP 112 Ca 0.02 -0.66 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 2wnl n ASP 112 Cb 0.63 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 2wnl n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wnl n GLY 113 N 1.03 0.71 3.79 6.12 0.00 0.16 -4.72 105.19 112.28 2wnl n GLY 113 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2wnl n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnl s SER 114 N -2.84 7.26 0.07 1.61 1.04 -1.19 -0.63 113.70 119.01 2wnl s SER 114 Ca 0.00 1.61 0.07 0.00 0.48 0.00 0.00 55.95 58.12 2wnl s SER 114 Cb 0.00 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 2wnl s SER 114 CO 0.00 0.07 -0.20 -0.69 0.98 0.00 0.00 173.24 173.40 2wnl s VAL 115 N -1.41 1.63 -0.05 5.02 1.01 0.23 -1.38 120.40 125.44 2wnl s VAL 115 Ca 0.42 -1.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2wnl s VAL 115 Cb -0.20 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.76 2wnl s VAL 115 CO 0.24 0.06 -0.01 -0.32 0.00 0.00 0.00 175.10 175.07 2wnl s MET 116 N -1.51 0.52 -0.06 2.72 1.75 -0.90 -2.35 119.30 119.47 2wnl s MET 116 Ca 0.06 0.05 0.00 0.00 -1.25 0.00 0.00 55.69 54.56 2wnl s MET 116 Cb -0.09 -0.74 0.02 0.00 2.84 0.00 0.00 34.83 36.86 2wnl s MET 116 CO 0.03 -0.19 -0.03 0.12 -0.65 0.00 0.00 175.02 174.30 2wnl s PHE 117 N 1.37 0.78 -0.52 4.11 5.36 -0.35 -2.20 117.98 126.53 2wnl s PHE 117 Ca -0.04 -0.24 0.07 0.00 -0.96 0.00 0.00 56.93 55.76 2wnl s PHE 117 Cb -0.13 -0.75 0.24 0.00 -0.34 0.00 0.00 43.02 42.04 2wnl s PHE 117 CO -0.02 -0.26 0.62 -0.89 -1.46 0.00 0.00 175.22 173.20 2wnl n ILE 118 N 4.47 0.84 -2.38 3.12 5.41 -1.26 -0.60 119.36 128.97 2wnl n ILE 118 Ca -0.18 -4.60 -0.42 0.00 1.00 0.00 0.00 62.75 58.55 2wnl n ILE 118 Cb 0.50 -2.02 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 2wnl n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wnl s PRO 119 N -1.76 4.44 0.15 0.38 0.04 -1.22 -4.69 135.00 132.34 2wnl s PRO 119 Ca 0.37 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 2wnl s PRO 119 Cb 0.14 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 2wnl s PRO 119 CO -0.07 -0.23 0.65 0.00 0.04 0.00 0.00 177.00 177.39 2wnl s ALA 120 N 0.74 3.51 -0.01 8.56 0.00 -1.26 -2.09 121.76 131.20 2wnl s ALA 120 Ca 0.58 0.10 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 2wnl s ALA 120 Cb -0.31 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2wnl s ALA 120 CO 0.31 0.37 0.41 -0.65 0.00 0.00 0.00 175.76 176.20 2wnl s GLN 121 N -1.56 0.81 -0.16 0.00 -0.21 -0.26 -1.11 119.66 117.16 2wnl s GLN 121 Ca 0.36 -0.14 -0.07 0.00 0.02 0.00 0.00 55.36 55.53 2wnl s GLN 121 Cb -0.18 0.37 -0.04 0.00 1.00 0.00 0.00 33.01 34.15 2wnl s GLN 121 CO 0.21 -0.25 0.09 0.50 -2.12 0.00 0.00 175.29 173.72 2wnl s ARG 122 N -1.57 3.83 -0.09 2.91 3.52 0.03 -2.30 118.95 125.28 2wnl s ARG 122 Ca -0.11 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 2wnl s ARG 122 Cb -0.03 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2wnl s ARG 122 CO 0.04 0.42 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.66 2wnl s LEU 123 N -0.02 1.54 -0.17 -0.88 2.96 -0.07 -1.85 118.68 120.19 2wnl s LEU 123 Ca 0.07 -0.33 -0.14 0.00 -0.22 0.00 0.00 54.13 53.52 2wnl s LEU 123 Cb -0.12 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2wnl s LEU 123 CO 0.01 -0.01 0.30 -0.44 -1.32 0.00 0.00 176.35 174.89 2wnl s SER 124 N 1.01 6.43 0.24 3.68 0.01 -1.26 -1.20 113.70 122.60 2wnl s SER 124 Ca -0.08 0.50 -0.10 0.00 1.31 0.00 0.00 55.95 57.58 2wnl s SER 124 Cb -0.15 -2.19 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2wnl s SER 124 CO -0.01 0.07 0.39 0.72 0.41 0.00 0.00 173.24 174.82 2wnl s PHE 125 N 0.61 0.58 -0.46 2.43 -0.12 -0.48 -1.28 117.98 119.25 2wnl s PHE 125 Ca 0.17 -0.90 -0.29 0.00 -0.05 0.00 0.00 56.93 55.86 2wnl s PHE 125 Cb -0.13 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2wnl s PHE 125 CO 0.04 -0.90 1.36 -1.64 -0.05 0.00 0.00 175.22 174.03 2wnl s MET 126 N -4.04 3.54 -0.10 1.99 -1.94 -0.94 -1.50 119.30 116.30 2wnl s MET 126 Ca 0.27 0.75 -0.04 0.00 -1.71 0.00 0.00 55.69 54.95 2wnl s MET 126 Cb 0.01 -4.03 0.05 0.00 2.01 0.00 0.00 34.83 32.88 2wnl s MET 126 CO 0.10 -1.62 0.22 0.00 -0.01 0.00 0.00 175.02 173.70 2wnl s ASP 128 N 1.84 6.35 -0.15 0.00 -1.08 -1.26 -3.33 116.67 119.04 2wnl s ASP 128 Ca -0.03 -0.15 0.06 0.00 -0.52 0.00 0.00 52.55 51.91 2wnl s ASP 128 Cb -0.11 -2.31 0.43 0.00 -1.46 0.00 0.00 42.92 39.46 2wnl s ASP 128 CO -0.08 -0.67 1.24 -0.81 0.52 0.00 0.00 175.17 175.38 2wnl n PRO 129 N 6.09 2.81 -1.86 4.34 -0.04 -1.26 -4.66 135.00 140.42 2wnl n PRO 129 Ca -0.02 -1.68 -0.41 0.00 -0.04 0.00 0.00 63.50 61.34 2wnl n PRO 129 Cb 0.48 -1.86 -0.02 0.00 -0.04 0.00 0.00 33.50 32.07 2wnl n PRO 129 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wnl s THR 130 N -1.91 2.26 0.00 0.52 2.01 -1.26 -2.09 115.64 115.16 2wnl s THR 130 Ca 0.30 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.52 2wnl s THR 130 Cb 0.23 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.60 2wnl s THR 130 CO 0.08 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 2wnl n GLY 131 N 2.01 0.59 0.21 4.40 0.00 -1.26 -4.39 105.19 106.75 2wnl n GLY 131 Ca 0.07 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2wnl n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnl h VAL 132 N 0.00 0.35 -0.77 1.61 3.04 -1.63 -2.56 116.25 116.29 2wnl h VAL 132 Ca 0.00 -1.25 -0.32 0.00 -1.01 0.00 0.00 66.70 64.12 2wnl h VAL 132 Cb 0.00 1.97 -0.19 0.00 -2.01 0.00 0.00 31.29 31.05 2wnl h VAL 132 CO 0.00 0.18 0.41 -0.90 -1.01 0.00 0.00 177.57 176.25 2wnl n ASP 133 N -3.20 4.07 -4.50 3.17 5.75 -1.26 -1.02 116.55 119.56 2wnl n ASP 133 Ca 0.02 -3.23 -0.31 0.00 -0.01 0.00 0.00 54.79 51.26 2wnl n ASP 133 Cb 0.52 -0.76 -0.08 0.00 -1.03 0.00 0.00 41.12 39.77 2wnl n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wnl s SER 134 N -0.91 3.64 0.17 -1.12 1.04 -1.17 -5.04 113.70 110.33 2wnl s SER 134 Ca 0.49 -1.69 0.17 0.00 0.48 0.00 0.00 55.95 55.41 2wnl s SER 134 Cb 0.40 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 67.07 2wnl s SER 134 CO 0.11 -0.91 1.10 1.05 0.98 0.00 0.00 173.24 175.57 2wnl h GLU 135 N 1.49 0.00 -0.06 4.02 4.11 -1.90 -3.27 114.58 118.97 2wnl h GLU 135 Ca -0.40 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.92 2wnl h GLU 135 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2wnl h GLU 135 CO 0.67 0.29 -0.45 0.93 0.07 0.00 0.00 179.01 180.52 2wnl h GLU 136 N 0.00 0.13 0.00 1.06 3.07 -1.97 -3.49 114.58 113.38 2wnl h GLU 136 Ca -0.08 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2wnl h GLU 136 Cb 1.40 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.31 2wnl h GLU 136 CO 0.04 0.56 0.00 0.41 -1.40 0.00 0.00 179.01 178.62 2wnl n GLY 137 N -0.16 -2.45 3.63 -3.84 0.00 -0.98 -4.89 105.19 96.50 2wnl n GLY 137 Ca -0.02 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2wnl n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnl s ALA 138 N -1.02 3.13 -0.07 4.61 0.00 0.27 -4.40 121.76 124.28 2wnl s ALA 138 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.83 2wnl s ALA 138 Cb 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 2wnl s ALA 138 CO 0.00 0.67 -0.19 0.99 0.00 0.00 0.00 175.76 177.23 2wnl s THR 139 N -1.25 2.59 0.06 0.00 2.01 -1.26 -1.46 115.64 116.33 2wnl s THR 139 Ca 0.23 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 2wnl s THR 139 Cb -0.11 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.37 2wnl s THR 139 CO 0.16 0.57 0.05 0.00 -0.69 0.00 0.00 174.62 174.71 2wnl s ALA 141 N -3.72 -0.69 -0.18 0.00 0.00 -1.26 -0.50 121.76 115.41 2wnl s ALA 141 Ca 0.05 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.12 2wnl s ALA 141 Cb 0.06 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.31 2wnl s ALA 141 CO -0.10 -0.25 0.46 0.54 0.00 0.00 0.00 175.76 176.42 2wnl s VAL 142 N -1.31 -0.01 -0.04 0.00 0.11 -0.56 -4.87 120.40 113.72 2wnl s VAL 142 Ca -0.14 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 2wnl s VAL 142 Cb -0.06 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 2wnl s VAL 142 CO 0.04 0.02 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.18 2wnl s LYS 143 N 1.00 2.70 -0.09 1.54 -2.85 -1.26 -0.75 119.74 120.03 2wnl s LYS 143 Ca -0.06 -0.61 0.04 0.00 -1.00 0.00 0.00 55.97 54.34 2wnl s LYS 143 Cb -0.06 -2.58 0.00 0.00 -2.06 0.00 0.00 37.83 33.13 2wnl s LYS 143 CO -0.09 0.64 -0.22 -0.06 0.10 0.00 0.00 175.35 175.72 2wnl s PHE 144 N -0.91 2.39 0.32 1.78 0.08 -0.53 -0.91 117.98 120.19 2wnl s PHE 144 Ca 0.15 -0.97 -0.19 0.00 0.12 0.00 0.00 56.93 56.04 2wnl s PHE 144 Cb -0.11 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2wnl s PHE 144 CO 0.05 -0.40 0.77 0.20 -0.10 0.00 0.00 175.22 175.73 2wnl s GLY 145 N 0.40 0.12 0.39 4.36 0.00 -0.59 -0.20 107.32 111.79 2wnl s GLY 145 Ca -0.18 -0.50 -0.27 0.00 0.00 0.00 0.00 44.72 43.77 2wnl s GLY 145 CO 0.08 -0.13 1.35 -0.45 0.00 0.00 0.00 173.10 173.95 2wnl s SER 146 N -3.00 6.37 -0.03 1.64 0.15 -1.26 0.31 113.70 117.88 2wnl s SER 146 Ca 0.13 2.77 0.09 0.00 0.70 0.00 0.00 55.95 59.64 2wnl s SER 146 Cb -0.05 -2.65 -0.24 0.00 -1.71 0.00 0.00 66.02 61.37 2wnl s SER 146 CO 0.09 -0.82 0.70 -0.25 1.20 0.00 0.00 173.24 174.16 2wnl h TRP 147 N 2.86 0.09 0.00 3.44 2.91 -1.90 -3.41 115.95 119.94 2wnl h TRP 147 Ca -0.50 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 59.46 2wnl h TRP 147 Cb 1.24 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 2wnl h TRP 147 CO 0.53 1.12 -0.42 1.33 -1.03 0.00 0.00 178.44 179.97 2wnl n VAL 148 N -3.15 0.00 -4.26 2.65 0.24 -1.26 -4.98 118.33 107.56 2wnl n VAL 148 Ca -0.17 -0.33 -0.34 0.00 -2.04 0.00 0.00 64.34 61.46 2wnl n VAL 148 Cb 1.04 0.91 -0.12 0.00 -1.47 0.00 0.00 33.84 34.20 2wnl n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2wnl s TYR 149 N -1.69 3.05 1.00 6.34 2.02 -1.26 -5.11 117.35 121.69 2wnl s TYR 149 Ca 0.02 -0.32 -0.14 0.00 -0.37 0.00 0.00 57.07 56.25 2wnl s TYR 149 Cb 0.04 -2.01 0.19 0.00 -0.40 0.00 0.00 41.96 39.78 2wnl s TYR 149 CO 0.25 -0.09 1.15 -1.54 -1.57 0.00 0.00 175.55 173.75 2wnl s SER 150 N 0.58 2.73 0.00 2.29 1.04 -1.26 -4.63 113.70 114.45 2wnl s SER 150 Ca -0.02 0.82 0.02 0.00 0.48 0.00 0.00 55.95 57.26 2wnl s SER 150 Cb -0.14 -1.27 0.10 0.00 0.10 0.00 0.00 66.02 64.82 2wnl s SER 150 CO 0.02 -3.02 1.08 0.61 0.98 0.00 0.00 173.24 172.91 2wnl n GLY 151 N -1.98 -0.58 0.14 7.32 0.00 0.12 -0.78 105.19 109.44 2wnl n GLY 151 Ca 0.09 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2wnl n GLY 151 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2wnl h PHE 152 N 0.00 0.00 0.00 1.61 0.04 -1.91 -3.39 116.94 113.29 2wnl h PHE 152 Ca 0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 2wnl h PHE 152 Cb 0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 2wnl h PHE 152 CO 0.00 0.00 -1.69 0.39 -0.60 0.00 0.00 178.31 176.41 2wnl n GLU 153 N -2.55 0.29 -3.85 1.51 4.71 0.04 -4.04 120.64 116.75 2wnl n GLU 153 Ca 0.04 0.09 -0.28 0.00 -0.01 0.00 0.00 57.16 57.00 2wnl n GLU 153 Cb 0.47 -1.14 -0.16 0.00 -1.01 0.00 0.00 31.44 29.60 2wnl n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wnl s ILE 154 N -2.23 0.95 0.02 -3.67 1.01 -0.22 -1.13 121.20 115.92 2wnl s ILE 154 Ca -0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2wnl s ILE 154 Cb 0.05 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2wnl s ILE 154 CO 0.26 0.04 0.21 -0.62 0.00 0.00 0.00 174.94 174.83 2wnl s ASP 155 N 1.69 6.39 0.09 3.58 2.15 0.21 -4.05 116.67 126.73 2wnl s ASP 155 Ca 0.00 0.37 0.06 0.00 0.43 0.00 0.00 52.55 53.42 2wnl s ASP 155 Cb -0.16 -2.01 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 2wnl s ASP 155 CO -0.07 0.23 -0.09 -0.76 -0.17 0.00 0.00 175.17 174.30 2wnl s LEU 156 N -2.09 3.07 0.12 -1.34 1.43 -1.26 -0.53 118.68 118.08 2wnl s LEU 156 Ca 0.30 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.92 2wnl s LEU 156 Cb -0.13 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.27 2wnl s LEU 156 CO 0.21 0.20 0.35 -1.59 0.23 0.00 0.00 176.35 175.75 2wnl s LYS 157 N -2.07 1.02 0.33 1.70 -2.85 -0.12 -4.91 119.74 112.83 2wnl s LYS 157 Ca 0.21 -0.77 0.08 0.00 -1.00 0.00 0.00 55.97 54.48 2wnl s LYS 157 Cb -0.11 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2wnl s LYS 157 CO 0.13 -0.38 0.18 0.95 0.10 0.00 0.00 175.35 176.33 2wnl s THR 158 N -3.82 3.32 -0.23 3.79 -4.23 -1.26 -0.54 115.64 112.67 2wnl s THR 158 Ca 0.04 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 58.92 2wnl s THR 158 Cb 0.03 -3.06 -0.18 0.00 1.34 0.00 0.00 72.50 70.62 2wnl s THR 158 CO -0.12 -0.21 -0.10 0.47 -0.54 0.00 0.00 174.62 174.12 2wnl n ASP 159 N -1.20 2.00 -4.32 3.99 8.00 -1.26 -4.97 116.55 118.79 2wnl n ASP 159 Ca -0.03 0.04 -0.22 0.00 0.71 0.00 0.00 54.79 55.29 2wnl n ASP 159 Cb 0.60 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2wnl n ASP 159 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2wnl s THR 160 N -2.52 1.78 -2.21 -3.53 -1.32 -1.26 -5.03 115.64 101.56 2wnl s THR 160 Ca -0.33 -1.82 0.19 0.00 -1.21 0.00 0.00 61.69 58.51 2wnl s THR 160 Cb 0.09 -1.77 0.43 0.00 -1.51 0.00 0.00 72.50 69.74 2wnl s THR 160 CO 0.62 -0.26 1.48 -0.90 -2.21 0.00 0.00 174.62 173.35 2wnl n ASP 161 N 0.48 1.71 -4.39 8.08 5.68 -1.26 -4.83 116.55 122.01 2wnl n ASP 161 Ca -0.15 -1.77 -0.35 0.00 -0.50 0.00 0.00 54.79 52.02 2wnl n ASP 161 Cb 0.56 -0.13 -0.13 0.00 -1.14 0.00 0.00 41.12 40.28 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2wnl s GLN 162 N -1.73 3.52 0.31 0.11 2.00 -1.26 -1.74 119.66 120.87 2wnl s GLN 162 Ca 0.30 -0.56 -0.29 0.00 -2.00 0.00 0.00 55.36 52.81 2wnl s GLN 162 Cb 0.16 -3.06 -0.10 0.00 0.80 0.00 0.00 33.01 30.81 2wnl s GLN 162 CO 0.24 -0.08 1.34 0.08 -0.50 0.00 0.00 175.29 176.37 2wnl s VAL 163 N 1.21 2.70 -0.27 1.34 1.01 -0.87 -4.88 120.40 120.64 2wnl s VAL 163 Ca 0.03 0.68 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 2wnl s VAL 163 Cb -0.15 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 2wnl s VAL 163 CO 0.00 0.15 1.42 -0.62 0.00 0.00 0.00 175.10 176.05 2wnl s ASP 164 N -0.30 6.57 -0.14 3.32 -1.08 -0.59 -4.88 116.67 119.56 2wnl s ASP 164 Ca 0.51 1.36 0.16 0.00 -0.52 0.00 0.00 52.55 54.06 2wnl s ASP 164 Cb -0.40 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 38.99 2wnl s ASP 164 CO 0.51 -1.14 1.37 0.18 0.52 0.00 0.00 175.17 176.61 2wnl n LEU 165 N 7.92 3.62 0.21 -1.34 4.77 -1.26 -2.75 117.00 128.18 2wnl n LEU 165 Ca 0.16 -2.84 0.10 0.00 -0.03 0.00 0.00 56.01 53.40 2wnl n LEU 165 Cb 0.46 -0.48 0.35 0.00 -2.33 0.00 0.00 43.42 41.42 2wnl n LEU 165 CO 0.64 0.68 0.76 0.77 -1.33 0.00 0.00 177.39 178.91 2wnl h SER 166 N 1.72 0.00 -0.58 -1.43 4.64 -1.90 -3.07 113.55 112.93 2wnl h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 166 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2wnl h SER 166 CO 0.17 0.22 0.00 -1.20 -0.87 0.00 0.00 176.83 175.15 2wnl n SER 167 N -3.27 3.76 -4.74 4.97 7.64 -1.26 -5.01 113.62 115.70 2wnl n SER 167 Ca 0.01 -2.12 -0.41 0.00 1.01 0.00 0.00 58.87 57.36 2wnl n SER 167 Cb 0.49 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 2wnl n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnl s TYR 168 N -1.22 2.99 -0.19 1.43 5.04 -1.16 -4.71 117.35 119.52 2wnl s TYR 168 Ca 0.41 0.96 -0.29 0.00 -2.44 0.00 0.00 57.07 55.71 2wnl s TYR 168 Cb 0.23 -3.86 -0.06 0.00 0.35 0.00 0.00 41.96 38.62 2wnl s TYR 168 CO 0.25 -2.86 2.19 0.98 -1.34 0.00 0.00 175.55 174.78 2wnl n TYR 169 N 2.48 2.02 0.29 4.97 9.36 0.71 -4.84 117.16 132.15 2wnl n TYR 169 Ca 0.08 -0.15 0.15 0.00 3.32 0.00 0.00 57.90 61.30 2wnl n TYR 169 Cb 0.40 -2.73 0.87 0.00 -0.63 0.00 0.00 39.34 37.25 2wnl n TYR 169 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wnl h ALA 170 N 14.39 1.30 -0.58 2.98 0.00 -1.90 -2.41 119.26 133.05 2wnl h ALA 170 Ca -0.42 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.11 2wnl h ALA 170 Cb 1.24 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 2wnl h ALA 170 CO 0.96 0.07 0.07 0.43 0.00 0.00 0.00 179.25 180.78 2wnl n SER 171 N -3.59 3.44 -4.78 0.00 7.64 -1.26 -5.00 113.62 110.07 2wnl n SER 171 Ca -0.02 -3.76 -0.32 0.00 1.01 0.00 0.00 58.87 55.78 2wnl n SER 171 Cb 0.16 -0.68 0.07 0.00 -1.01 0.00 0.00 64.21 62.75 2wnl n SER 171 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2wnl s SER 172 N -2.35 4.85 0.39 6.43 0.15 -0.91 -4.94 113.70 117.32 2wnl s SER 172 Ca 0.50 1.83 0.20 0.00 0.70 0.00 0.00 55.95 59.17 2wnl s SER 172 Cb 0.43 -2.52 0.76 0.00 -1.71 0.00 0.00 66.02 62.98 2wnl s SER 172 CO 0.02 -1.80 1.77 0.11 1.20 0.00 0.00 173.24 174.54 2wnl h LYS 173 N -0.72 0.00 -5.28 5.44 1.79 -1.91 -3.43 116.57 112.45 2wnl h LYS 173 Ca -0.44 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.36 2wnl h LYS 173 Cb 1.23 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.58 2wnl h LYS 173 CO 0.53 0.33 -0.81 0.71 -1.08 0.00 0.00 179.45 179.13 2wnl s TYR 174 N -3.67 2.73 0.15 -1.35 2.02 -1.26 -0.10 117.35 115.87 2wnl s TYR 174 Ca -0.00 -0.90 -0.05 0.00 -0.37 0.00 0.00 57.07 55.75 2wnl s TYR 174 Cb 0.11 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.80 2wnl s TYR 174 CO 0.67 -0.36 0.38 -1.83 -1.57 0.00 0.00 175.55 172.84 2wnl s GLU 175 N 0.51 3.61 -0.28 -0.62 -1.05 -0.39 -4.79 118.70 115.69 2wnl s GLU 175 Ca -0.11 -0.10 -0.15 0.00 -0.15 0.00 0.00 54.97 54.46 2wnl s GLU 175 Cb -0.16 -2.84 -0.03 0.00 -0.44 0.00 0.00 34.13 30.65 2wnl s GLU 175 CO 0.05 0.45 0.38 0.42 0.95 0.00 0.00 175.26 177.51 2wnl s ILE 176 N -1.69 5.17 -0.02 1.83 -1.09 -1.26 -2.36 121.20 121.78 2wnl s ILE 176 Ca 0.41 0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 59.15 2wnl s ILE 176 Cb -0.12 -3.72 -0.29 0.00 -1.58 0.00 0.00 42.46 36.75 2wnl s ILE 176 CO 0.25 0.13 0.98 -0.07 -1.23 0.00 0.00 174.94 175.00 2wnl h LEU 177 N 8.63 0.56 -7.00 2.97 3.38 -0.51 -3.49 115.31 119.86 2wnl h LEU 177 Ca -0.31 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 56.80 2wnl h LEU 177 Cb 1.16 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 2wnl h LEU 177 CO 0.65 1.39 0.32 -0.94 0.09 0.00 0.00 178.44 179.95 2wnl s SER 178 N -7.01 -0.50 -0.26 -0.43 1.04 -0.98 -4.98 113.70 100.58 2wnl s SER 178 Ca -0.13 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 2wnl s SER 178 Cb 0.02 0.51 0.15 0.00 0.10 0.00 0.00 66.02 66.80 2wnl s SER 178 CO 0.85 -0.81 0.49 0.00 0.98 0.00 0.00 173.24 174.75 2wnl s ALA 179 N -3.32 -1.62 0.25 5.32 0.00 -1.26 -0.76 121.76 120.36 2wnl s ALA 179 Ca 0.02 1.49 0.11 0.00 0.00 0.00 0.00 51.96 53.58 2wnl s ALA 179 Cb -0.01 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2wnl s ALA 179 CO -0.10 -1.17 -0.15 0.95 0.00 0.00 0.00 175.76 175.29 2wnl s THR 180 N 2.71 2.77 -0.16 0.00 -4.23 -0.51 -2.06 115.64 114.16 2wnl s THR 180 Ca 0.11 -2.13 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2wnl s THR 180 Cb -0.14 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.32 2wnl s THR 180 CO -0.18 -0.30 0.01 0.00 -0.54 0.00 0.00 174.62 173.62 2wnl s GLN 181 N -3.29 0.76 -0.05 3.99 -2.07 -0.71 -1.25 119.66 117.03 2wnl s GLN 181 Ca 0.28 -0.31 0.02 0.00 -1.82 0.00 0.00 55.36 53.52 2wnl s GLN 181 Cb -0.06 -1.83 0.02 0.00 -1.09 0.00 0.00 33.01 30.04 2wnl s GLN 181 CO 0.15 -0.53 -0.08 0.99 -1.32 0.00 0.00 175.29 174.50 2wnl s THR 182 N 1.85 0.82 0.40 3.63 2.01 0.23 -4.50 115.64 120.08 2wnl s THR 182 Ca 0.01 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 2wnl s THR 182 Cb -0.16 -0.78 -0.09 0.00 0.01 0.00 0.00 72.50 71.48 2wnl s THR 182 CO -0.07 0.28 1.11 -0.60 -0.69 0.00 0.00 174.62 174.65 2wnl s ARG 183 N 0.72 4.09 0.01 4.92 3.52 -1.26 0.11 118.95 131.07 2wnl s ARG 183 Ca -0.12 1.67 -0.08 0.00 -0.13 0.00 0.00 55.73 57.07 2wnl s ARG 183 Cb -0.15 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2wnl s ARG 183 CO 0.02 -0.24 0.15 -0.65 -0.81 0.00 0.00 175.30 173.77 2wnl s GLN 184 N -2.40 0.54 -0.16 5.12 -0.21 0.86 -4.87 119.66 118.54 2wnl s GLN 184 Ca 0.58 -0.46 -0.00 0.00 0.02 0.00 0.00 55.36 55.50 2wnl s GLN 184 Cb -0.26 0.22 -0.00 0.00 1.00 0.00 0.00 33.01 33.97 2wnl s GLN 184 CO 0.33 -0.14 -0.14 0.08 -2.12 0.00 0.00 175.29 173.30 2wnl s VAL 185 N -1.68 2.75 0.02 1.09 1.01 -1.26 -1.33 120.40 120.99 2wnl s VAL 185 Ca -0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 2wnl s VAL 185 Cb -0.06 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2wnl s VAL 185 CO 0.00 0.51 -0.02 -1.10 0.00 0.00 0.00 175.10 174.49 2wnl s GLN 186 N 0.82 0.28 -0.12 2.72 -0.21 -0.51 -4.97 119.66 117.67 2wnl s GLN 186 Ca -0.05 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.81 2wnl s GLN 186 Cb -0.15 0.10 -0.01 0.00 1.00 0.00 0.00 33.01 33.95 2wnl s GLN 186 CO 0.00 -0.05 -0.15 -1.01 -2.12 0.00 0.00 175.29 171.97 2wnl s HIS 187 N -1.29 2.77 0.35 0.91 3.76 -1.26 -0.69 115.29 119.83 2wnl s HIS 187 Ca -0.14 -0.66 0.08 0.00 -0.15 0.00 0.00 55.06 54.20 2wnl s HIS 187 Cb -0.09 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 2wnl s HIS 187 CO -0.01 -0.21 0.10 0.71 -0.85 0.00 0.00 174.74 174.49 2wnl s TYR 188 N 0.27 2.64 -1.29 1.40 2.02 -1.26 -5.04 117.35 116.08 2wnl s TYR 188 Ca -0.10 -0.42 0.29 0.00 -0.37 0.00 0.00 57.07 56.47 2wnl s TYR 188 Cb -0.16 -1.62 1.32 0.00 -0.40 0.00 0.00 41.96 41.09 2wnl s TYR 188 CO 0.06 0.37 1.94 -1.13 -1.57 0.00 0.00 175.55 175.22 2wnl n SER 189 N -1.09 0.11 0.15 2.29 3.41 -1.26 -2.74 113.62 114.49 2wnl n SER 189 Ca -0.03 -0.01 0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2wnl n SER 189 Cb 0.62 -0.29 0.18 0.00 -0.26 0.00 0.00 64.21 64.46 2wnl n SER 189 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wnl h PRO 192 N 5.07 0.00 -6.11 0.00 0.13 -1.92 -3.39 132.00 125.78 2wnl h PRO 192 Ca -0.28 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.26 2wnl h PRO 192 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2wnl h PRO 192 CO 0.41 0.00 -0.35 -1.21 -0.23 0.00 0.00 178.00 176.62 2wnl s GLU 193 N -3.14 3.58 0.44 0.86 2.02 -1.26 -5.03 118.70 116.17 2wnl s GLU 193 Ca 0.10 -0.15 -0.24 0.00 0.02 0.00 0.00 54.97 54.70 2wnl s GLU 193 Cb 0.11 -2.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.37 2wnl s GLU 193 CO 0.58 0.50 1.16 -2.14 0.02 0.00 0.00 175.26 175.39 2wnl s PRO 194 N -2.59 3.88 0.03 0.39 0.02 -1.26 -4.62 135.00 130.85 2wnl s PRO 194 Ca 0.39 1.79 0.07 0.00 0.02 0.00 0.00 61.00 63.26 2wnl s PRO 194 Cb -0.12 -2.51 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 2wnl s PRO 194 CO 0.25 -0.45 -0.17 0.71 -0.33 0.00 0.00 177.00 177.00 2wnl s TYR 195 N -1.51 2.59 -0.13 6.54 2.02 0.13 0.14 117.35 127.13 2wnl s TYR 195 Ca 0.61 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 57.03 2wnl s TYR 195 Cb -0.29 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2wnl s TYR 195 CO 0.36 0.25 -0.00 0.42 -1.57 0.00 0.00 175.55 175.00 2wnl s ILE 196 N -0.91 4.23 0.22 2.71 -1.09 -1.26 -1.43 121.20 123.67 2wnl s ILE 196 Ca 0.14 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2wnl s ILE 196 Cb -0.11 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 2wnl s ILE 196 CO 0.05 0.53 0.01 1.51 -1.23 0.00 0.00 174.94 175.81 2wnl s ASP 197 N -0.16 1.56 -0.20 3.58 1.47 -0.44 -4.06 116.67 118.43 2wnl s ASP 197 Ca 0.04 -1.23 0.01 0.00 1.18 0.00 0.00 52.55 52.56 2wnl s ASP 197 Cb -0.13 0.06 0.04 0.00 -0.34 0.00 0.00 42.92 42.56 2wnl s ASP 197 CO 0.02 -0.56 -0.12 -0.69 0.68 0.00 0.00 175.17 174.50 2wnl s VAL 198 N -3.53 1.76 -0.17 2.11 1.01 0.72 -0.10 120.40 122.19 2wnl s VAL 198 Ca 0.28 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 2wnl s VAL 198 Cb 0.06 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2wnl s VAL 198 CO 0.08 0.22 0.82 0.21 0.00 0.00 0.00 175.10 176.43 2wnl s ASN 199 N 1.35 6.94 -0.34 3.32 2.47 0.31 -1.46 114.94 127.53 2wnl s ASN 199 Ca -0.01 1.15 -0.11 0.00 0.42 0.00 0.00 52.86 54.31 2wnl s ASN 199 Cb -0.16 -2.45 0.00 0.00 -1.45 0.00 0.00 41.25 37.19 2wnl s ASN 199 CO -0.09 -0.40 0.20 -0.22 -3.72 0.00 0.00 177.10 172.87 2wnl s LEU 200 N 2.18 4.43 -0.15 3.21 2.96 0.07 -0.60 118.68 130.78 2wnl s LEU 200 Ca 0.38 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2wnl s LEU 200 Cb -0.16 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2wnl s LEU 200 CO 0.12 -0.27 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.14 2wnl s VAL 201 N 1.63 3.77 -0.03 1.68 1.01 -0.38 -1.50 120.40 126.57 2wnl s VAL 201 Ca 0.04 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.68 2wnl s VAL 201 Cb -0.18 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2wnl s VAL 201 CO 0.07 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.79 2wnl s VAL 202 N 0.35 1.58 -0.16 2.92 1.01 0.35 -1.42 120.40 125.02 2wnl s VAL 202 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 2wnl s VAL 202 Cb -0.14 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.92 2wnl s VAL 202 CO 0.03 0.45 -0.19 -0.54 0.00 0.00 0.00 175.10 174.85 2wnl s LYS 203 N -0.29 3.06 0.10 2.72 1.02 0.06 -1.22 119.74 125.18 2wnl s LYS 203 Ca 0.03 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 2wnl s LYS 203 Cb -0.09 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.68 2wnl s LYS 203 CO 0.01 -0.10 0.29 -0.59 -0.92 0.00 0.00 175.35 174.03 2wnl s PHE 204 N 1.05 -0.02 0.21 3.18 -0.12 -0.53 0.31 117.98 122.05 2wnl s PHE 204 Ca -0.01 -0.34 -0.15 0.00 -0.05 0.00 0.00 56.93 56.38 2wnl s PHE 204 Cb -0.14 0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.34 2wnl s PHE 204 CO -0.06 -0.60 0.47 -0.98 -0.05 0.00 0.00 175.22 174.00 2wnl s ARG 205 N -3.71 1.39 0.61 1.99 1.70 -1.00 -0.57 118.95 119.37 2wnl s ARG 205 Ca 0.03 -1.03 -0.19 0.00 -0.47 0.00 0.00 55.73 54.07 2wnl s ARG 205 Cb 0.03 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.87 2wnl s ARG 205 CO -0.11 -0.58 1.25 0.39 -1.08 0.00 0.00 175.30 175.17 2wnl n GLU 206 N -0.33 1.22 -2.92 3.89 1.02 -0.19 -1.27 120.64 122.06 2wnl n GLU 206 Ca -0.07 0.47 -0.37 0.00 -0.02 0.00 0.00 57.16 57.17 2wnl n GLU 206 Cb 0.62 -2.47 -0.06 0.00 -0.02 0.00 0.00 31.44 29.51 2wnl n GLU 206 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wnl s ARG 207 N -3.13 4.46 0.00 3.49 3.52 0.86 -4.61 118.95 123.55 2wnl s ARG 207 Ca 0.79 1.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 2wnl s ARG 207 Cb -0.40 -2.89 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2wnl s ARG 207 CO 0.44 0.36 0.00 0.54 -0.81 0.00 0.00 175.30 175.83