#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl n LYS -1 N 0.00 0.07 -0.03 -0.67 5.02 -1.26 -2.29 118.16 118.99 2wnl n LYS -1 Ca 0.00 0.19 -0.13 0.00 -2.02 0.00 0.00 58.31 56.35 2wnl n LYS -1 Cb 0.00 -1.60 -0.08 0.00 -0.02 0.00 0.00 35.03 33.32 2wnl n LYS -1 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wnl h LEU 0 N 0.00 0.16 -0.87 -0.35 6.46 -2.04 -0.76 115.31 117.91 2wnl h LEU 0 Ca 0.00 -0.44 0.12 0.00 -0.12 0.00 0.00 57.88 57.44 2wnl h LEU 0 Cb 0.42 -0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 40.22 2wnl h LEU 0 CO 0.00 0.56 0.49 0.45 -0.62 0.00 0.00 178.44 179.32 2wnl h HIS 1 N -0.25 0.88 -0.04 1.25 3.86 -1.90 0.37 115.15 119.31 2wnl h HIS 1 Ca 0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2wnl h HIS 1 Cb 0.51 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 2wnl h HIS 1 CO 0.08 0.30 -0.03 0.66 0.86 0.00 0.00 177.93 179.80 2wnl h SER 2 N 0.76 0.10 0.03 2.45 4.64 -1.42 0.19 113.55 120.30 2wnl h SER 2 Ca 0.44 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnl h SER 2 Cb 0.50 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2wnl h SER 2 CO -0.29 0.52 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 2wnl n GLN 3 N -4.80 0.90 -0.02 4.77 10.64 -0.30 -3.07 117.38 125.50 2wnl n GLN 3 Ca -0.08 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.88 2wnl n GLN 3 Cb 0.26 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.00 2wnl n GLN 3 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2wnl n ALA 4 N -1.02 0.85 0.25 2.61 0.00 0.13 -4.23 120.51 119.10 2wnl n ALA 4 Ca 0.22 -0.55 0.13 0.00 0.00 0.00 0.00 53.44 53.24 2wnl n ALA 4 Cb 0.11 -0.65 0.57 0.00 0.00 0.00 0.00 19.45 19.47 2wnl n ALA 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wnl h ASN 5 N -0.23 0.00 -0.66 0.00 -0.26 -0.63 -3.05 115.58 110.75 2wnl h ASN 5 Ca -0.40 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.35 2wnl h ASN 5 Cb 1.84 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 39.06 2wnl h ASN 5 CO 0.01 0.13 0.43 0.25 -1.06 0.00 0.00 177.43 177.18 2wnl h LEU 6 N 0.00 0.72 -1.87 1.61 5.85 -1.71 0.10 115.31 120.01 2wnl h LEU 6 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wnl h LEU 6 Cb 0.63 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2wnl h LEU 6 CO 0.02 0.51 0.00 0.24 -0.34 0.00 0.00 178.44 178.87 2wnl h MET 7 N 0.85 0.00 0.22 1.25 2.86 -1.73 -0.44 114.93 117.95 2wnl h MET 7 Ca 0.25 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2wnl h MET 7 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2wnl h MET 7 CO -0.08 0.00 -0.11 0.00 1.06 0.00 0.00 176.91 177.78 2wnl h ARG 8 N 0.00 -0.29 -0.18 1.72 2.47 -0.91 -2.15 114.38 115.04 2wnl h ARG 8 Ca 0.00 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 2wnl h ARG 8 Cb 0.11 0.07 -0.07 0.00 -1.65 0.00 0.00 29.97 28.43 2wnl h ARG 8 CO 0.00 0.06 -0.38 1.25 0.56 0.00 0.00 179.97 181.47 2wnl h LEU 9 N -0.93 -1.19 0.61 3.04 5.85 -0.52 0.03 115.31 122.19 2wnl h LEU 9 Ca -0.03 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2wnl h LEU 9 Cb 0.49 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.02 2wnl h LEU 9 CO 0.05 -0.39 -0.30 0.11 -0.34 0.00 0.00 178.44 177.57 2wnl h LYS 10 N -0.42 -0.80 -0.96 1.25 1.57 -1.24 0.96 116.57 116.93 2wnl h LYS 10 Ca 0.10 0.05 0.21 0.00 -1.87 0.00 0.00 60.65 59.14 2wnl h LYS 10 Cb 0.59 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 32.96 2wnl h LYS 10 CO -0.41 -0.53 0.54 1.03 -0.57 0.00 0.00 179.45 179.50 2wnl h SER 11 N -0.83 0.62 0.10 0.86 0.87 -1.25 0.62 113.55 114.55 2wnl h SER 11 Ca -0.08 0.12 -0.23 0.00 -1.23 0.00 0.00 61.79 60.37 2wnl h SER 11 Cb 0.64 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2wnl h SER 11 CO 0.13 0.15 -1.17 0.44 -0.53 0.00 0.00 176.83 175.85 2wnl h ASP 12 N 0.61 0.33 -0.26 6.23 3.32 -0.60 0.43 116.42 126.48 2wnl h ASP 12 Ca 0.58 -0.85 0.05 0.00 0.02 0.00 0.00 57.03 56.83 2wnl h ASP 12 Cb 1.02 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 2wnl h ASP 12 CO -0.44 1.51 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.52 2wnl h LEU 13 N -0.44 -0.11 0.06 1.55 3.38 0.11 -3.20 115.31 116.67 2wnl h LEU 13 Ca -0.25 0.06 -0.36 0.00 0.09 0.00 0.00 57.88 57.42 2wnl h LEU 13 Cb 1.64 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 2wnl h LEU 13 CO 0.05 -0.02 -2.14 0.49 0.09 0.00 0.00 178.44 176.91 2wnl n PHE 14 N -5.16 0.74 0.07 1.13 3.72 0.22 -4.69 117.46 113.50 2wnl n PHE 14 Ca -0.01 0.18 0.03 0.00 -0.05 0.00 0.00 57.45 57.60 2wnl n PHE 14 Cb 0.14 -1.10 0.05 0.00 -0.94 0.00 0.00 39.48 37.62 2wnl n PHE 14 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2wnl n ASN 15 N -3.29 1.93 0.00 4.37 3.02 0.15 -4.61 115.26 116.83 2wnl n ASN 15 Ca -0.34 -1.60 -0.13 0.00 -0.03 0.00 0.00 54.58 52.48 2wnl n ASN 15 Cb 1.04 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 40.02 2wnl n ASN 15 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2wnl h ARG 16 N 1.00 0.11 -5.67 3.52 2.43 -1.44 -3.48 114.38 110.86 2wnl h ARG 16 Ca 0.00 -0.18 -0.57 0.00 -0.81 0.00 0.00 59.98 58.42 2wnl h ARG 16 Cb 0.41 0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 29.89 2wnl h ARG 16 CO 0.00 0.80 -0.65 0.45 -1.51 0.00 0.00 179.97 179.06 2wnl s SER 17 N -6.50 3.37 1.12 -3.80 0.15 -1.26 -5.12 113.70 101.66 2wnl s SER 17 Ca -0.09 -1.27 -0.13 0.00 0.70 0.00 0.00 55.95 55.16 2wnl s SER 17 Cb 0.08 -0.29 0.26 0.00 -1.71 0.00 0.00 66.02 64.36 2wnl s SER 17 CO 0.82 -0.36 1.05 -2.84 1.20 0.00 0.00 173.24 173.10 2wnl s PRO 18 N -3.70 -0.58 0.14 5.44 0.02 -1.26 -4.92 135.00 130.13 2wnl s PRO 18 Ca 0.33 0.81 -0.33 0.00 0.02 0.00 0.00 61.00 61.84 2wnl s PRO 18 Cb 0.06 -1.59 -0.12 0.00 0.02 0.00 0.00 34.50 32.86 2wnl s PRO 18 CO 0.16 -3.49 1.72 -0.12 -0.33 0.00 0.00 177.00 174.94 2wnl n MET 19 N -4.75 2.51 -1.70 5.54 1.56 -1.26 -4.96 117.12 114.05 2wnl n MET 19 Ca 0.04 0.91 -0.43 0.00 -0.27 0.00 0.00 57.70 57.95 2wnl n MET 19 Cb 0.55 -2.74 -0.03 0.00 2.15 0.00 0.00 33.22 33.14 2wnl n MET 19 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 2wnl n TYR 20 N 4.53 2.65 0.34 1.12 4.19 -1.26 -4.90 117.16 123.82 2wnl n TYR 20 Ca 0.18 0.05 0.05 0.00 3.31 0.00 0.00 57.90 61.48 2wnl n TYR 20 Cb 0.33 -2.66 0.20 0.00 0.49 0.00 0.00 39.34 37.70 2wnl n TYR 20 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 2wnl n PRO 21 N 4.19 2.54 -0.15 2.98 -0.02 -1.26 -4.98 135.00 138.30 2wnl n PRO 21 Ca 0.17 -1.59 0.02 0.00 -2.02 0.00 0.00 63.50 60.08 2wnl n PRO 21 Cb 0.34 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 2wnl n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wnl n GLY 22 N 0.74 -2.22 3.77 -1.23 0.00 -1.26 -4.93 105.19 100.06 2wnl n GLY 22 Ca 0.14 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.07 3.26 0.35 1.61 0.04 -1.26 -5.08 135.00 132.85 2wnl s PRO 23 Ca 0.00 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2wnl s PRO 23 Cb 0.00 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 2wnl s PRO 23 CO 0.00 -0.93 0.05 0.95 0.04 0.00 0.00 177.00 177.12 2wnl s THR 24 N -1.79 1.28 0.26 1.26 -4.23 -1.14 -4.97 115.64 106.30 2wnl s THR 24 Ca 0.73 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.41 2wnl s THR 24 Cb -0.24 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 70.95 2wnl s THR 24 CO 0.29 0.00 1.78 0.07 -0.54 0.00 0.00 174.62 176.22 2wnl h LYS 25 N 2.00 0.00 -0.10 3.99 -0.00 -1.91 -1.48 116.57 119.06 2wnl h LYS 25 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.24 2wnl h LYS 25 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 2wnl h LYS 25 CO 0.71 0.38 0.00 -0.25 -0.00 0.00 0.00 179.45 180.28 2wnl n ASP 26 N -3.70 1.36 -2.92 7.07 8.00 -1.26 -4.29 116.55 120.81 2wnl n ASP 26 Ca -0.01 -1.59 -0.13 0.00 0.71 0.00 0.00 54.79 53.77 2wnl n ASP 26 Cb 0.47 -0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.10 -1.35 -4.67 -2.24 2.03 -0.62 -5.15 116.55 104.64 2wnl n ASP 27 Ca 0.17 -3.28 -0.29 0.00 0.52 0.00 0.00 54.79 51.91 2wnl n ASP 27 Cb 0.30 0.90 0.17 0.00 -0.72 0.00 0.00 41.12 41.77 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 -0.48 0.68 -0.03 -0.67 0.04 -0.83 -2.91 135.00 130.81 2wnl s PRO 28 Ca 0.31 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 2wnl s PRO 28 Cb 0.27 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 33.09 2wnl s PRO 28 CO -0.12 -2.62 0.06 -1.17 0.04 0.00 0.00 177.00 173.19 2wnl s LEU 29 N -6.45 0.79 -0.14 -3.56 2.96 -0.55 -4.93 118.68 106.80 2wnl s LEU 29 Ca 0.65 0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.50 2wnl s LEU 29 Cb -0.19 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.43 2wnl s LEU 29 CO 0.58 -0.16 0.36 -0.89 -1.32 0.00 0.00 176.35 174.92 2wnl s THR 30 N 1.36 5.25 -0.13 3.68 2.01 -1.26 -1.09 115.64 125.46 2wnl s THR 30 Ca -0.06 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2wnl s THR 30 Cb -0.13 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2wnl s THR 30 CO -0.03 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 2wnl s VAL 31 N 0.41 2.90 -0.16 3.82 1.01 -0.17 -4.51 120.40 123.70 2wnl s VAL 31 Ca 0.20 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2wnl s VAL 31 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2wnl s VAL 31 CO 0.07 0.52 0.12 -0.89 0.00 0.00 0.00 175.10 174.92 2wnl s THR 32 N 0.47 5.32 0.03 3.92 2.01 0.28 -2.20 115.64 125.46 2wnl s THR 32 Ca -0.10 0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.13 2wnl s THR 32 Cb -0.16 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2wnl s THR 32 CO 0.05 0.52 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.50 2wnl s LEU 33 N -0.26 2.14 -0.11 4.42 1.43 0.33 -1.53 118.68 125.10 2wnl s LEU 33 Ca 0.10 -0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 2wnl s LEU 33 Cb -0.12 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 44.95 2wnl s LEU 33 CO 0.01 0.24 0.42 -0.83 0.23 0.00 0.00 176.35 176.42 2wnl s GLY 34 N -1.08 -0.30 -0.03 -3.19 0.00 -0.81 -4.28 107.32 97.63 2wnl s GLY 34 Ca 0.10 0.96 0.07 0.00 0.00 0.00 0.00 44.72 45.85 2wnl s GLY 34 CO 0.01 0.76 -0.23 -1.36 0.00 0.00 0.00 173.10 172.28 2wnl s PHE 35 N -0.40 2.44 -0.28 1.90 0.08 -1.26 -1.00 117.98 119.46 2wnl s PHE 35 Ca -0.05 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2wnl s PHE 35 Cb -0.03 -1.55 0.07 0.00 -0.57 0.00 0.00 43.02 40.94 2wnl s PHE 35 CO 0.03 0.00 -0.06 0.99 -0.10 0.00 0.00 175.22 176.08 2wnl s THR 36 N -0.60 2.32 -0.19 0.64 2.01 -0.68 -1.76 115.64 117.39 2wnl s THR 36 Ca 0.09 -1.72 -0.23 0.00 0.31 0.00 0.00 61.69 60.14 2wnl s THR 36 Cb -0.11 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 2wnl s THR 36 CO -0.00 -0.14 0.74 -0.22 -0.69 0.00 0.00 174.62 174.30 2wnl s LEU 37 N 1.09 4.15 -0.19 4.42 2.96 -0.85 -1.02 118.68 129.24 2wnl s LEU 37 Ca -0.05 1.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2wnl s LEU 37 Cb -0.20 -3.07 -0.21 0.00 0.50 0.00 0.00 46.19 43.21 2wnl s LEU 37 CO -0.05 -0.35 0.05 0.00 -1.32 0.00 0.00 176.35 174.68 2wnl n GLN 38 N 5.23 0.69 -3.60 1.98 6.02 0.10 -3.48 117.38 124.31 2wnl n GLN 38 Ca 0.02 0.18 -0.12 0.00 -0.01 0.00 0.00 57.00 57.07 2wnl n GLN 38 Cb 0.49 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 -6.56 -0.51 -0.46 1.08 2.15 -1.07 0.88 116.67 112.18 2wnl s ASP 39 Ca -0.26 0.82 -0.14 0.00 0.43 0.00 0.00 52.55 53.39 2wnl s ASP 39 Cb 0.08 0.78 0.07 0.00 -0.30 0.00 0.00 42.92 43.54 2wnl s ASP 39 CO 0.69 -0.28 0.36 -0.63 -0.17 0.00 0.00 175.17 175.14 2wnl s ILE 40 N -0.30 5.06 -0.03 4.11 1.01 -1.26 -1.58 121.20 128.21 2wnl s ILE 40 Ca -0.01 -1.08 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 2wnl s ILE 40 Cb -0.03 -4.01 -0.32 0.00 0.01 0.00 0.00 42.46 38.11 2wnl s ILE 40 CO -0.01 -0.53 0.90 0.58 0.00 0.00 0.00 174.94 175.88 2wnl h VAL 41 N 5.80 1.44 -2.73 2.92 2.07 -1.68 -3.41 116.25 120.67 2wnl h VAL 41 Ca -0.27 -2.57 -0.12 0.00 0.82 0.00 0.00 66.70 64.56 2wnl h VAL 41 Cb 1.11 3.15 -0.24 0.00 -1.52 0.00 0.00 31.29 33.79 2wnl h VAL 41 CO 0.84 0.74 -0.23 -0.75 0.02 0.00 0.00 177.57 178.18 2wnl s LYS 42 N -2.46 0.48 -0.36 1.57 2.20 -1.24 -4.94 119.74 114.99 2wnl s LYS 42 Ca -0.13 0.59 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 2wnl s LYS 42 Cb 0.02 0.22 0.11 0.00 -1.51 0.00 0.00 37.83 36.67 2wnl s LYS 42 CO 0.85 -0.06 0.14 0.00 -0.36 0.00 0.00 175.35 175.92 2wnl s ALA 43 N 0.29 1.97 -0.39 3.13 0.00 -1.26 -0.88 121.76 124.62 2wnl s ALA 43 Ca -0.01 -2.13 -0.21 0.00 0.00 0.00 0.00 51.96 49.61 2wnl s ALA 43 Cb -0.03 -1.77 0.01 0.00 0.00 0.00 0.00 23.12 21.33 2wnl s ALA 43 CO -0.00 -1.81 0.67 0.34 0.00 0.00 0.00 175.76 174.96 2wnl s ASP 44 N 1.06 6.40 0.00 0.00 -1.08 0.01 -4.93 116.67 118.13 2wnl s ASP 44 Ca 0.13 -0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.41 2wnl s ASP 44 Cb -0.20 -2.34 0.89 0.00 -1.46 0.00 0.00 42.92 39.81 2wnl s ASP 44 CO -0.14 -0.70 1.65 -1.54 0.52 0.00 0.00 175.17 174.96 2wnl n SER 45 N 6.23 0.99 0.06 -0.34 3.41 -1.26 -1.13 113.62 121.59 2wnl n SER 45 Ca -0.01 -0.93 0.02 0.00 -0.26 0.00 0.00 58.87 57.70 2wnl n SER 45 Cb 0.48 0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.26 0.00 -0.00 4.04 4.64 -1.96 -3.37 113.55 118.16 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 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2wnl h SER 46 CO 0.00 0.46 -0.19 0.35 -0.87 0.00 0.00 176.83 176.58 2wnl n THR 47 N -2.91 0.00 -3.78 2.95 -2.24 -1.23 -5.02 114.28 102.05 2wnl n THR 47 Ca -0.06 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 61.09 2wnl n THR 47 Cb 0.77 1.04 0.02 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.67 -1.06 -4.41 3.42 3.02 -0.29 -4.93 115.26 110.34 2wnl n ASN 48 Ca 0.02 -0.87 -0.32 0.00 -0.03 0.00 0.00 54.58 53.38 2wnl n ASN 48 Cb 0.11 -3.76 -0.14 0.00 -0.61 0.00 0.00 39.78 35.38 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 -6.17 2.31 0.01 3.52 2.02 -1.02 -1.19 118.70 118.18 2wnl s GLU 49 Ca 0.03 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.27 2wnl s GLU 49 Cb -0.02 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 2wnl s GLU 49 CO 0.83 0.59 -0.18 0.08 0.02 0.00 0.00 175.26 176.61 2wnl s VAL 50 N -0.70 1.41 -0.18 2.63 1.01 -0.73 -0.81 120.40 123.03 2wnl s VAL 50 Ca 0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2wnl s VAL 50 Cb -0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2wnl s VAL 50 CO 0.00 0.27 -0.03 -1.81 0.00 0.00 0.00 175.10 173.53 2wnl s ASP 51 N -0.76 4.66 0.06 3.32 1.01 -0.05 -1.63 116.67 123.28 2wnl s ASP 51 Ca 0.06 -0.22 0.08 0.00 0.71 0.00 0.00 52.55 53.18 2wnl s ASP 51 Cb -0.07 -1.78 -0.03 0.00 1.01 0.00 0.00 42.92 42.04 2wnl s ASP 51 CO 0.00 0.09 -0.19 -0.76 0.21 0.00 0.00 175.17 174.53 2wnl s LEU 52 N 0.81 2.60 -0.11 1.23 1.43 0.39 -1.62 118.68 123.40 2wnl s LEU 52 Ca -0.01 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2wnl s LEU 52 Cb -0.14 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.57 2wnl s LEU 52 CO 0.02 0.24 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 2wnl s VAL 53 N -0.97 2.36 0.25 -1.59 1.01 -0.61 -0.64 120.40 120.20 2wnl s VAL 53 Ca 0.15 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 2wnl s VAL 53 Cb -0.10 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2wnl s VAL 53 CO 0.06 0.55 0.57 -0.72 0.00 0.00 0.00 175.10 175.56 2wnl s TYR 54 N 0.37 0.07 -0.01 5.22 -0.85 -1.03 -0.73 117.35 120.39 2wnl s TYR 54 Ca -0.16 -0.46 -0.00 0.00 -0.52 0.00 0.00 57.07 55.93 2wnl s TYR 54 Cb -0.17 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.54 2wnl s TYR 54 CO 0.08 -1.06 0.06 0.71 -1.52 0.00 0.00 175.55 173.82 2wnl s TYR 55 N -3.95 3.24 -0.36 -3.49 4.12 -0.19 -1.58 117.35 115.15 2wnl s TYR 55 Ca 0.16 0.19 0.02 0.00 0.02 0.00 0.00 57.07 57.46 2wnl s TYR 55 Cb -0.03 -1.73 0.10 0.00 -1.52 0.00 0.00 41.96 38.79 2wnl s TYR 55 CO 0.06 0.53 0.09 -2.00 0.02 0.00 0.00 175.55 174.25 2wnl s GLU 56 N -1.65 1.60 -0.07 -0.62 2.12 -0.78 -1.69 118.70 117.62 2wnl s GLU 56 Ca 0.22 -1.87 -0.30 0.00 0.36 0.00 0.00 54.97 53.37 2wnl s GLU 56 Cb -0.12 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2wnl s GLU 56 CO 0.12 -0.97 1.36 -1.14 -0.54 0.00 0.00 175.26 174.09 2wnl s GLN 57 N 0.94 4.27 -0.04 4.30 0.74 -0.17 -3.33 119.66 126.37 2wnl s GLN 57 Ca 0.10 1.86 0.06 0.00 0.05 0.00 0.00 55.36 57.43 2wnl s GLN 57 Cb -0.20 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 2wnl s GLN 57 CO -0.07 -0.63 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.16 2wnl s GLN 58 N 2.93 2.35 -0.02 1.67 -0.21 0.21 -1.93 119.66 124.67 2wnl s GLN 58 Ca 0.61 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2wnl s GLN 58 Cb -0.28 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.60 2wnl s GLN 58 CO 0.23 0.51 0.01 1.03 -2.12 0.00 0.00 175.29 174.94 2wnl s ARG 59 N -0.46 0.12 0.30 2.91 0.52 -0.59 -1.85 118.95 119.90 2wnl s ARG 59 Ca 0.05 0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2wnl s ARG 59 Cb -0.11 -0.29 -0.01 0.00 0.52 0.00 0.00 34.95 35.05 2wnl s ARG 59 CO 0.01 -0.10 0.38 1.67 0.02 0.00 0.00 175.30 177.28 2wnl s TRP 60 N 0.75 1.08 -0.07 -0.53 -2.14 -0.91 -0.56 118.94 116.57 2wnl s TRP 60 Ca -0.07 -1.27 -0.03 0.00 2.66 0.00 0.00 56.10 57.39 2wnl s TRP 60 Cb -0.10 -0.22 0.04 0.00 -3.10 0.00 0.00 33.47 30.09 2wnl s TRP 60 CO -0.02 -0.99 0.15 0.21 -2.66 0.00 0.00 176.95 173.65 2wnl s LYS 61 N -3.47 0.08 -0.03 3.25 2.20 -1.26 0.63 119.74 121.14 2wnl s LYS 61 Ca 0.32 0.42 0.06 0.00 -0.36 0.00 0.00 55.97 56.41 2wnl s LYS 61 Cb 0.01 -0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.12 2wnl s LYS 61 CO 0.18 -0.20 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.25 2wnl s LEU 62 N 1.45 2.01 0.27 5.43 1.43 0.41 -4.94 118.68 124.74 2wnl s LEU 62 Ca -0.06 -0.39 0.25 0.00 -1.03 0.00 0.00 54.13 52.89 2wnl s LEU 62 Cb -0.12 -1.10 0.96 0.00 0.03 0.00 0.00 46.19 45.97 2wnl s LEU 62 CO -0.06 0.23 1.74 0.78 0.23 0.00 0.00 176.35 179.27 2wnl h ASN 63 N 5.85 0.00 -0.34 2.29 -0.26 -1.88 -3.08 115.58 118.16 2wnl h ASN 63 Ca -0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 2wnl h ASN 63 Cb 1.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.41 2wnl h ASN 63 CO 0.48 0.00 0.00 -1.54 -1.06 0.00 0.00 177.43 175.31 2wnl n SER 64 N -2.30 3.24 -0.33 5.81 3.41 -1.26 -3.68 113.62 118.52 2wnl n SER 64 Ca 0.03 -1.97 0.08 0.00 -0.26 0.00 0.00 58.87 56.76 2wnl n SER 64 Cb 0.28 -0.21 0.16 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.37 2.79 -4.82 1.04 4.77 -1.16 -4.95 117.00 116.03 2wnl n LEU 65 Ca 0.19 -2.92 -0.36 0.00 -0.03 0.00 0.00 56.01 52.89 2wnl n LEU 65 Cb 0.58 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2wnl n LEU 65 CO 0.16 0.68 0.42 -0.04 -1.33 0.00 0.00 177.39 177.27 2wnl s MET 66 N -2.60 4.23 0.14 3.23 -1.94 -1.24 -3.55 119.30 117.57 2wnl s MET 66 Ca 0.32 0.85 -0.14 0.00 -1.71 0.00 0.00 55.69 55.01 2wnl s MET 66 Cb 0.26 -2.86 0.02 0.00 2.01 0.00 0.00 34.83 34.27 2wnl s MET 66 CO 0.05 0.38 0.37 1.67 -0.01 0.00 0.00 175.02 177.48 2wnl s TRP 67 N -1.55 -0.01 -0.31 -0.03 -2.14 0.24 -4.93 118.94 110.21 2wnl s TRP 67 Ca 0.43 -0.34 -0.19 0.00 2.66 0.00 0.00 56.10 58.67 2wnl s TRP 67 Cb -0.16 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.37 2wnl s TRP 67 CO 0.21 -0.73 0.55 0.34 -2.66 0.00 0.00 176.95 174.66 2wnl s ASP 68 N -2.86 6.41 0.31 -2.66 2.15 -1.26 -4.66 116.67 114.09 2wnl s ASP 68 Ca 0.07 0.31 0.05 0.00 0.43 0.00 0.00 52.55 53.41 2wnl s ASP 68 Cb 0.02 -2.29 0.68 0.00 -0.30 0.00 0.00 42.92 41.02 2wnl s ASP 68 CO -0.07 -0.42 1.82 -0.65 -0.17 0.00 0.00 175.17 175.68 2wnl h PRO 69 N 8.23 0.83 0.00 4.34 0.11 -1.95 -1.44 132.00 142.11 2wnl h PRO 69 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2wnl h PRO 69 Cb 1.13 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2wnl h PRO 69 CO 0.76 0.55 0.00 0.09 -0.21 0.00 0.00 178.00 179.19 2wnl n ASN 70 N -4.66 0.00 -0.08 -2.05 3.02 -1.26 0.12 115.26 110.35 2wnl n ASN 70 Ca 0.20 0.39 0.12 0.00 -0.03 0.00 0.00 54.58 55.26 2wnl n ASN 70 Cb 0.46 -0.45 0.27 0.00 -0.61 0.00 0.00 39.78 39.45 2wnl n ASN 70 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2wnl n GLU 71 N -1.45 0.28 -0.82 3.52 2.13 -0.55 -4.26 120.64 119.48 2wnl n GLU 71 Ca 0.05 -0.17 0.03 0.00 0.66 0.00 0.00 57.16 57.73 2wnl n GLU 71 Cb 0.19 -1.50 0.03 0.00 0.27 0.00 0.00 31.44 30.43 2wnl n GLU 71 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2wnl n TYR 72 N -1.22 0.00 -2.75 4.31 4.02 -0.54 -5.04 117.16 115.95 2wnl n TYR 72 Ca 0.08 -0.34 -0.09 0.00 -0.01 0.00 0.00 57.90 57.53 2wnl n TYR 72 Cb 0.34 -0.10 0.05 0.00 -0.02 0.00 0.00 39.34 39.60 2wnl n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wnl n GLY 73 N 0.00 -0.05 2.41 2.72 0.00 0.05 -3.79 105.19 106.53 2wnl n GLY 73 Ca 0.04 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.24 -5.15 -4.61 1.61 5.03 0.33 -4.93 115.26 105.30 2wnl n ASN 74 Ca -0.14 0.22 -0.43 0.00 0.87 0.00 0.00 54.58 55.10 2wnl n ASN 74 Cb 0.59 -4.43 -0.02 0.00 -1.02 0.00 0.00 39.78 34.90 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 -2.77 4.08 -1.20 2.41 1.01 -1.25 -4.89 121.20 118.59 2wnl s ILE 75 Ca 0.00 1.14 0.22 0.00 0.00 0.00 0.00 60.65 62.01 2wnl s ILE 75 Cb 0.00 -4.35 -0.13 0.00 0.01 0.00 0.00 42.46 38.00 2wnl s ILE 75 CO 0.00 -0.78 1.06 0.35 0.00 0.00 0.00 174.94 175.57 2wnl n THR 76 N 6.78 0.00 -3.90 2.92 -2.24 -1.26 -4.44 114.28 112.13 2wnl n THR 76 Ca 0.14 -0.05 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2wnl n THR 76 Cb 0.48 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.89 -0.00 0.12 3.42 1.47 -1.26 -1.05 116.67 116.48 2wnl s ASP 77 Ca 0.11 -0.55 -0.25 0.00 1.18 0.00 0.00 52.55 53.04 2wnl s ASP 77 Cb 0.17 0.41 0.08 0.00 -0.34 0.00 0.00 42.92 43.24 2wnl s ASP 77 CO 0.77 -0.82 1.07 0.72 0.68 0.00 0.00 175.17 177.60 2wnl s PHE 78 N -2.16 -0.04 -0.08 2.11 -0.12 -0.40 -5.00 117.98 112.29 2wnl s PHE 78 Ca 0.23 -0.25 -0.02 0.00 -0.05 0.00 0.00 56.93 56.85 2wnl s PHE 78 Cb -0.02 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.97 2wnl s PHE 78 CO 0.04 -0.72 0.01 1.03 -0.05 0.00 0.00 175.22 175.53 2wnl s ARG 79 N -2.68 2.99 0.03 1.99 3.00 -1.26 -1.35 118.95 121.66 2wnl s ARG 79 Ca 0.17 -0.41 -0.06 0.00 0.00 0.00 0.00 55.73 55.43 2wnl s ARG 79 Cb -0.00 -2.80 -0.01 0.00 0.00 0.00 0.00 34.95 32.14 2wnl s ARG 79 CO 0.02 0.70 0.10 -0.08 0.00 0.00 0.00 175.30 176.04 2wnl s THR 80 N -0.92 0.12 0.06 0.02 -1.32 -0.87 -5.00 115.64 107.73 2wnl s THR 80 Ca 0.14 -0.96 -0.33 0.00 -1.21 0.00 0.00 61.69 59.33 2wnl s THR 80 Cb -0.11 -0.71 -0.12 0.00 -1.51 0.00 0.00 72.50 70.04 2wnl s THR 80 CO 0.03 -0.53 1.75 -0.24 -2.21 0.00 0.00 174.62 173.43 2wnl n SER 81 N 1.02 3.45 -0.22 8.08 2.88 -1.26 -1.19 113.62 126.39 2wnl n SER 81 Ca -0.20 1.02 0.31 0.00 -1.33 0.00 0.00 58.87 58.66 2wnl n SER 81 Cb 0.57 -1.43 0.71 0.00 -0.75 0.00 0.00 64.21 63.31 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 7.79 2.88 0.00 -1.46 0.00 -1.02 0.45 119.26 127.91 2wnl h ALA 82 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wnl h ALA 82 Cb 1.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2wnl h ALA 82 CO 0.92 -1.32 0.00 0.00 0.00 0.00 0.00 179.25 178.85 2wnl n ALA 83 N -2.61 1.83 0.82 0.00 0.00 -1.26 -2.99 120.51 116.30 2wnl n ALA 83 Ca 0.21 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.80 2wnl n ALA 83 Cb 1.14 -1.37 0.52 0.00 0.00 0.00 0.00 19.45 19.74 2wnl n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wnl n ASP 84 N -1.97 0.39 -4.35 0.00 8.00 0.16 -4.90 116.55 113.88 2wnl n ASP 84 Ca 0.04 0.53 -0.18 0.00 0.71 0.00 0.00 54.79 55.89 2wnl n ASP 84 Cb 0.26 -0.63 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 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 -3.05 0.75 0.26 0.53 -4.36 -1.16 -5.00 121.20 109.16 2wnl s ILE 85 Ca 0.12 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.22 2wnl s ILE 85 Cb 0.16 -2.65 -0.09 0.00 1.25 0.00 0.00 42.46 41.13 2wnl s ILE 85 CO 0.56 -0.03 1.11 0.86 0.24 0.00 0.00 174.94 177.68 2wnl s TRP 86 N -3.62 3.57 0.12 1.37 -0.00 -1.26 -4.98 118.94 114.14 2wnl s TRP 86 Ca 0.37 1.66 0.07 0.00 -0.00 0.00 0.00 56.10 58.19 2wnl s TRP 86 Cb 0.08 -3.30 -0.04 0.00 -0.00 0.00 0.00 33.47 30.21 2wnl s TRP 86 CO 0.14 -0.62 -0.16 0.95 -0.00 0.00 0.00 176.95 177.25 2wnl s THR 87 N -0.93 1.49 0.31 5.86 -4.23 -1.26 -5.10 115.64 111.79 2wnl s THR 87 Ca 0.46 -1.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.00 2wnl s THR 87 Cb -0.32 -1.56 -0.09 0.00 1.34 0.00 0.00 72.50 71.87 2wnl s THR 87 CO 0.40 -0.31 1.07 -2.16 -0.54 0.00 0.00 174.62 173.08 2wnl s PRO 88 N -2.47 4.51 -1.09 3.99 0.04 -1.26 -4.95 135.00 133.77 2wnl s PRO 88 Ca 0.09 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 62.74 2wnl s PRO 88 Cb -0.07 -2.99 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 2wnl s PRO 88 CO 0.04 0.12 2.94 -0.40 0.04 0.00 0.00 177.00 179.74 2wnl n ASP 89 N 0.81 7.63 -4.65 6.66 5.75 -1.26 -4.94 116.55 126.55 2wnl n ASP 89 Ca 0.01 -2.76 -0.43 0.00 -0.01 0.00 0.00 54.79 51.60 2wnl n ASP 89 Cb 0.46 -1.45 -0.02 0.00 -1.03 0.00 0.00 41.12 39.09 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 0.63 4.43 0.03 2.12 -1.09 -1.26 -2.93 121.20 123.13 2wnl s ILE 90 Ca 0.64 1.69 0.07 0.00 -2.23 0.00 0.00 60.65 60.82 2wnl s ILE 90 Cb 0.23 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 2wnl s ILE 90 CO -0.07 -0.27 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.28 2wnl s THR 91 N 3.58 1.57 0.18 2.92 2.01 0.43 -4.90 115.64 121.44 2wnl s THR 91 Ca 0.50 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.09 2wnl s THR 91 Cb -0.17 -1.36 -0.08 0.00 0.01 0.00 0.00 72.50 70.90 2wnl s THR 91 CO 0.13 0.22 1.06 0.00 -0.69 0.00 0.00 174.62 175.34 2wnl s ALA 92 N -0.75 3.35 -0.83 7.40 0.00 -1.26 -1.80 121.76 127.87 2wnl s ALA 92 Ca 0.07 0.75 0.24 0.00 0.00 0.00 0.00 51.96 53.03 2wnl s ALA 92 Cb -0.08 -3.32 0.37 0.00 0.00 0.00 0.00 23.12 20.08 2wnl s ALA 92 CO 0.01 -0.13 1.31 0.66 0.00 0.00 0.00 175.76 177.62 2wnl n TYR 93 N 2.28 0.20 -2.54 0.00 4.01 -0.44 -4.21 117.16 116.45 2wnl n TYR 93 Ca 0.02 0.06 -0.10 0.00 -0.16 0.00 0.00 57.90 57.72 2wnl n TYR 93 Cb 0.47 -0.39 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 2wnl n TYR 93 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wnl n SER 94 N -1.75 2.81 -4.82 7.72 3.41 -1.26 -5.00 113.62 114.73 2wnl n SER 94 Ca 0.04 -2.74 -0.34 0.00 -0.26 0.00 0.00 58.87 55.57 2wnl n SER 94 Cb 0.38 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 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 -3.66 6.98 -0.00 4.04 1.04 -1.26 -1.91 113.70 118.93 2wnl s SER 95 Ca 0.36 1.64 0.12 0.00 0.48 0.00 0.00 55.95 58.55 2wnl s SER 95 Cb 0.37 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.83 2wnl s SER 95 CO -0.02 -0.27 0.44 0.35 0.98 0.00 0.00 173.24 174.72 2wnl n THR 96 N -0.35 0.00 -4.16 2.02 -2.24 0.26 -4.89 114.28 104.92 2wnl n THR 96 Ca 0.05 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 2wnl n THR 96 Cb 0.53 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 -2.29 0.82 0.32 -0.78 0.52 -1.25 -5.05 118.95 111.24 2wnl s ARG 97 Ca 0.02 -1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 53.60 2wnl s ARG 97 Cb 0.09 -0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.38 2wnl s ARG 97 CO 0.49 -0.07 1.40 -2.14 0.02 0.00 0.00 175.30 174.99 2wnl s PRO 98 N -3.88 4.26 0.41 3.54 0.02 -1.26 -4.70 135.00 133.39 2wnl s PRO 98 Ca 0.13 2.35 -0.26 0.00 0.02 0.00 0.00 61.00 63.24 2wnl s PRO 98 Cb 0.06 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.43 2wnl s PRO 98 CO -0.04 -0.35 1.30 0.28 -0.33 0.00 0.00 177.00 177.86 2wnl n VAL 99 N 1.10 2.46 -3.90 3.83 0.31 -1.26 -4.90 118.33 115.97 2wnl n VAL 99 Ca 0.02 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.49 2wnl n VAL 99 Cb 0.41 -1.61 -0.13 0.00 -0.91 0.00 0.00 33.84 31.60 2wnl n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wnl s GLN 100 N -2.17 3.61 -0.28 5.55 -0.21 -0.86 -4.98 119.66 120.32 2wnl s GLN 100 Ca 0.60 -0.51 -0.25 0.00 0.02 0.00 0.00 55.36 55.21 2wnl s GLN 100 Cb -0.51 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.31 2wnl s GLN 100 CO 0.59 -0.10 0.88 0.08 -2.12 0.00 0.00 175.29 174.62 2wnl s VAL 101 N 1.33 4.74 -1.93 1.09 1.01 -1.26 -0.74 120.40 124.64 2wnl s VAL 101 Ca 0.05 1.51 0.23 0.00 0.00 0.00 0.00 61.98 63.76 2wnl s VAL 101 Cb -0.15 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 2wnl s VAL 101 CO 0.02 -0.23 1.09 0.18 0.00 0.00 0.00 175.10 176.16 2wnl n LEU 102 N 6.28 1.90 -4.26 3.92 4.77 -0.23 -4.98 117.00 124.38 2wnl n LEU 102 Ca 0.07 -0.71 -0.15 0.00 -0.03 0.00 0.00 56.01 55.19 2wnl n LEU 102 Cb 0.47 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 2wnl n LEU 102 CO 0.51 0.36 -0.37 -0.94 -1.33 0.00 0.00 177.39 175.62 2wnl s SER 103 N -2.53 1.63 0.65 -1.43 1.04 -1.24 -4.92 113.70 106.90 2wnl s SER 103 Ca 0.18 -1.11 -0.17 0.00 0.48 0.00 0.00 55.95 55.33 2wnl s SER 103 Cb 0.18 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2wnl s SER 103 CO 0.60 -0.44 1.19 -2.84 0.98 0.00 0.00 173.24 172.72 2wnl s PRO 104 N -3.82 2.68 -0.93 4.02 0.02 -1.26 -4.83 135.00 130.88 2wnl s PRO 104 Ca 0.21 1.72 -0.01 0.00 0.02 0.00 0.00 61.00 62.95 2wnl s PRO 104 Cb 0.04 -1.90 0.29 0.00 0.02 0.00 0.00 34.50 32.95 2wnl s PRO 104 CO 0.03 -1.41 1.22 1.04 -0.33 0.00 0.00 177.00 177.55 2wnl n GLN 105 N -2.09 3.79 -4.35 5.54 6.02 -1.26 -4.87 117.38 120.15 2wnl n GLN 105 Ca 0.13 -4.60 -0.24 0.00 -0.01 0.00 0.00 57.00 52.28 2wnl n GLN 105 Cb 0.50 -2.42 -0.17 0.00 1.02 0.00 0.00 30.24 29.17 2wnl n GLN 105 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2wnl s ILE 106 N -2.67 1.01 0.30 5.09 1.01 -1.26 -0.35 121.20 124.34 2wnl s ILE 106 Ca 0.34 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.69 2wnl s ILE 106 Cb 0.08 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2wnl s ILE 106 CO 0.06 0.34 0.25 0.00 0.00 0.00 0.00 174.94 175.59 2wnl s ALA 107 N 0.96 3.73 -0.21 9.38 0.00 -0.33 -4.71 121.76 130.58 2wnl s ALA 107 Ca -0.09 -1.57 -0.05 0.00 0.00 0.00 0.00 51.96 50.25 2wnl s ALA 107 Cb -0.15 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 2wnl s ALA 107 CO 0.00 0.10 -0.00 0.08 0.00 0.00 0.00 175.76 175.94 2wnl s VAL 108 N -2.25 3.90 -0.17 0.00 1.01 0.44 -2.06 120.40 121.27 2wnl s VAL 108 Ca 0.38 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2wnl s VAL 108 Cb -0.06 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2wnl s VAL 108 CO 0.26 0.42 -0.03 -0.69 0.00 0.00 0.00 175.10 175.06 2wnl s VAL 109 N 1.12 3.90 0.23 2.92 1.01 -0.46 -0.67 120.40 128.45 2wnl s VAL 109 Ca 0.03 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2wnl s VAL 109 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2wnl s VAL 109 CO 0.01 0.47 0.23 -0.89 0.00 0.00 0.00 175.10 174.92 2wnl s THR 110 N 0.59 4.70 0.46 3.92 2.01 0.51 -1.28 115.64 126.55 2wnl s THR 110 Ca -0.02 -1.20 0.33 0.00 0.31 0.00 0.00 61.69 61.11 2wnl s THR 110 Cb -0.14 -3.51 0.36 0.00 0.01 0.00 0.00 72.50 69.21 2wnl s THR 110 CO 0.02 -0.28 2.16 1.12 -0.69 0.00 0.00 174.62 176.95 2wnl h HIS 111 N 1.63 0.00 0.00 4.92 2.07 -1.37 -0.14 115.15 122.26 2wnl h HIS 111 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2wnl h HIS 111 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2wnl h HIS 111 CO 0.53 0.06 0.00 -0.40 -3.07 0.00 0.00 177.93 175.05 2wnl n ASP 112 N -3.45 0.00 0.00 3.10 5.75 -1.26 -0.59 116.55 120.10 2wnl n ASP 112 Ca -0.02 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 2wnl n ASP 112 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 2wnl n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wnl n GLY 113 N 0.41 0.75 3.78 6.12 0.00 -0.07 -4.68 105.19 111.49 2wnl n GLY 113 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.65 7.40 -0.04 1.61 1.04 -1.19 -0.45 113.70 119.42 2wnl s SER 114 Ca 0.00 1.79 0.03 0.00 0.48 0.00 0.00 55.95 58.25 2wnl s SER 114 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.57 2wnl s SER 114 CO 0.00 0.05 -0.11 -0.69 0.98 0.00 0.00 173.24 173.47 2wnl s VAL 115 N -1.42 0.94 -0.02 5.02 1.01 0.20 -0.37 120.40 125.78 2wnl s VAL 115 Ca 0.45 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.05 2wnl s VAL 115 Cb -0.21 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2wnl s VAL 115 CO 0.26 0.30 -0.15 -0.32 0.00 0.00 0.00 175.10 175.18 2wnl s MET 116 N 0.36 1.36 -0.16 2.72 0.00 0.15 -2.13 119.30 121.59 2wnl s MET 116 Ca -0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 55.69 55.02 2wnl s MET 116 Cb -0.11 -1.27 0.08 0.00 0.00 0.00 0.00 34.83 33.52 2wnl s MET 116 CO 0.01 0.30 0.32 0.12 0.00 0.00 0.00 175.02 175.78 2wnl s PHE 117 N -0.23 -0.58 -0.61 4.11 5.36 -0.77 -0.42 117.98 124.84 2wnl s PHE 117 Ca 0.03 1.13 0.04 0.00 -0.96 0.00 0.00 56.93 57.17 2wnl s PHE 117 Cb -0.07 0.07 0.16 0.00 -0.34 0.00 0.00 43.02 42.84 2wnl s PHE 117 CO 0.00 -0.43 0.42 0.42 -1.46 0.00 0.00 175.22 174.16 2wnl s ILE 118 N 2.49 2.27 -0.08 3.12 1.01 -1.26 -0.61 121.20 128.13 2wnl s ILE 118 Ca 0.01 -3.72 -0.30 0.00 0.00 0.00 0.00 60.65 56.64 2wnl s ILE 118 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2wnl s ILE 118 CO -0.11 -1.01 1.07 -2.16 0.00 0.00 0.00 174.94 172.73 2wnl s PRO 119 N -0.88 4.41 0.18 2.79 0.04 -1.21 -4.75 135.00 135.58 2wnl s PRO 119 Ca 0.25 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 2wnl s PRO 119 Cb -0.07 -3.54 -0.08 0.00 0.04 0.00 0.00 34.50 30.85 2wnl s PRO 119 CO -0.14 -0.35 0.94 0.00 0.04 0.00 0.00 177.00 177.50 2wnl s ALA 120 N 2.03 3.31 0.01 8.56 0.00 -1.26 -1.87 121.76 132.54 2wnl s ALA 120 Ca 0.51 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.06 2wnl s ALA 120 Cb -0.20 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 2wnl s ALA 120 CO 0.20 0.12 -0.03 -0.65 0.00 0.00 0.00 175.76 175.40 2wnl s GLN 121 N -0.70 0.24 -0.21 0.00 -0.21 -0.61 -1.07 119.66 117.09 2wnl s GLN 121 Ca 0.43 -0.40 -0.09 0.00 0.02 0.00 0.00 55.36 55.32 2wnl s GLN 121 Cb -0.25 0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.73 2wnl s GLN 121 CO 0.31 -0.02 0.11 0.50 -2.12 0.00 0.00 175.29 174.07 2wnl s ARG 122 N -0.92 4.02 -0.05 2.91 3.52 0.08 -2.46 118.95 126.04 2wnl s ARG 122 Ca -0.09 -0.31 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2wnl s ARG 122 Cb -0.06 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 2wnl s ARG 122 CO -0.00 0.16 -0.23 -1.17 -0.81 0.00 0.00 175.30 173.25 2wnl s LEU 123 N 0.72 2.19 -0.19 -0.88 2.96 0.18 -2.03 118.68 121.63 2wnl s LEU 123 Ca 0.06 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2wnl s LEU 123 Cb -0.13 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2wnl s LEU 123 CO 0.02 0.28 -0.01 -0.44 -1.32 0.00 0.00 176.35 174.87 2wnl s SER 124 N -0.34 4.84 0.20 3.68 0.01 -1.26 -0.46 113.70 120.36 2wnl s SER 124 Ca 0.02 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 2wnl s SER 124 Cb -0.12 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 2wnl s SER 124 CO 0.02 0.09 0.14 0.72 0.41 0.00 0.00 173.24 174.62 2wnl s PHE 125 N 0.83 1.10 -0.36 2.43 -0.12 -0.64 -0.57 117.98 120.65 2wnl s PHE 125 Ca 0.00 -1.34 -0.29 0.00 -0.05 0.00 0.00 56.93 55.25 2wnl s PHE 125 Cb -0.14 -0.52 0.01 0.00 -0.63 0.00 0.00 43.02 41.73 2wnl s PHE 125 CO 0.02 -0.64 1.24 -1.64 -0.05 0.00 0.00 175.22 174.15 2wnl s MET 126 N -4.14 3.85 -0.21 1.99 -1.94 -0.80 -1.77 119.30 116.27 2wnl s MET 126 Ca 0.37 1.03 -0.09 0.00 -1.71 0.00 0.00 55.69 55.29 2wnl s MET 126 Cb 0.07 -3.88 0.08 0.00 2.01 0.00 0.00 34.83 33.11 2wnl s MET 126 CO 0.11 -1.20 0.49 0.00 -0.01 0.00 0.00 175.02 174.41 2wnl s ASP 128 N 2.13 6.53 -0.06 0.00 -1.08 -1.26 -3.62 116.67 119.30 2wnl s ASP 128 Ca -0.06 0.25 0.06 0.00 -0.52 0.00 0.00 52.55 52.28 2wnl s ASP 128 Cb -0.10 -2.41 0.27 0.00 -1.46 0.00 0.00 42.92 39.23 2wnl s ASP 128 CO -0.15 -0.82 1.01 -0.81 0.52 0.00 0.00 175.17 174.92 2wnl n PRO 129 N 6.60 2.16 -1.92 4.34 -0.04 -1.26 -4.59 135.00 140.28 2wnl n PRO 129 Ca 0.04 -1.06 -0.41 0.00 -0.04 0.00 0.00 63.50 62.02 2wnl n PRO 129 Cb 0.48 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.63 2.42 0.00 0.52 2.01 -1.26 -2.22 115.64 115.48 2wnl s THR 130 Ca 0.19 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.55 2wnl s THR 130 Cb 0.13 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.41 2wnl s THR 130 CO 0.07 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2wnl n GLY 131 N 1.97 0.78 0.18 4.40 0.00 -1.26 -4.39 105.19 106.86 2wnl n GLY 131 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2wnl n GLY 131 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wnl h VAL 132 N 0.00 1.33 -0.77 1.61 2.07 -1.65 -2.78 116.25 116.06 2wnl h VAL 132 Ca 0.00 -1.61 -0.41 0.00 0.82 0.00 0.00 66.70 65.50 2wnl h VAL 132 Cb 0.00 1.81 -0.16 0.00 -1.52 0.00 0.00 31.29 31.43 2wnl h VAL 132 CO 0.00 0.47 0.37 -0.90 0.02 0.00 0.00 177.57 177.53 2wnl n ASP 133 N -3.99 6.43 -3.89 0.57 5.75 -1.26 -1.63 116.55 118.53 2wnl n ASP 133 Ca -0.02 -3.12 -0.10 0.00 -0.01 0.00 0.00 54.79 51.55 2wnl n ASP 133 Cb 0.50 -1.17 -0.05 0.00 -1.03 0.00 0.00 41.12 39.37 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 0.33 0.01 0.26 -1.12 1.04 -1.16 -5.05 113.70 108.01 2wnl s SER 134 Ca 0.48 -1.00 0.02 0.00 0.48 0.00 0.00 55.95 55.93 2wnl s SER 134 Cb 0.32 0.60 0.32 0.00 0.10 0.00 0.00 66.02 67.37 2wnl s SER 134 CO -0.12 -1.17 1.64 -0.08 0.98 0.00 0.00 173.24 174.49 2wnl h GLU 135 N 2.24 0.40 0.00 4.02 4.81 -1.89 -3.10 114.58 121.06 2wnl h GLU 135 Ca -0.27 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.64 2wnl h GLU 135 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2wnl h GLU 135 CO 0.36 0.75 -0.59 0.93 -0.73 0.00 0.00 179.01 179.73 2wnl h GLU 136 N 0.33 0.00 0.00 1.92 5.08 -1.95 -3.49 114.58 116.47 2wnl h GLU 136 Ca 0.03 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2wnl h GLU 136 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2wnl h GLU 136 CO 0.07 0.59 -0.06 0.41 -1.00 0.00 0.00 179.01 179.02 2wnl n GLY 137 N 1.11 -2.11 3.78 -3.84 0.00 -1.06 -4.87 105.19 98.20 2wnl n GLY 137 Ca 0.01 -1.44 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.19 3.58 -0.04 4.61 0.00 0.27 -4.38 121.76 124.61 2wnl s ALA 138 Ca 0.00 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.32 2wnl s ALA 138 Cb 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2wnl s ALA 138 CO 0.00 0.11 -0.06 0.99 0.00 0.00 0.00 175.76 176.80 2wnl s THR 139 N -2.30 0.65 0.03 0.00 2.01 -1.26 -1.76 115.64 113.00 2wnl s THR 139 Ca 0.37 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2wnl s THR 139 Cb -0.05 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2wnl s THR 139 CO 0.24 0.24 0.02 0.00 -0.69 0.00 0.00 174.62 174.43 2wnl s ALA 141 N -2.37 0.14 -0.15 0.00 0.00 -1.26 -0.84 121.76 117.28 2wnl s ALA 141 Ca -0.07 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 2wnl s ALA 141 Cb -0.03 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.31 2wnl s ALA 141 CO -0.04 -0.22 0.38 0.54 0.00 0.00 0.00 175.76 176.43 2wnl s VAL 142 N -2.01 -0.01 0.24 0.00 0.11 -0.78 -4.90 120.40 113.05 2wnl s VAL 142 Ca -0.11 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.89 2wnl s VAL 142 Cb -0.06 -0.55 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 2wnl s VAL 142 CO -0.03 0.01 0.55 -0.54 -3.33 0.00 0.00 175.10 171.77 2wnl s LYS 143 N 0.59 3.78 -0.05 1.54 1.02 -1.26 -1.26 119.74 124.10 2wnl s LYS 143 Ca -0.03 0.25 0.04 0.00 0.02 0.00 0.00 55.97 56.24 2wnl s LYS 143 Cb -0.05 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2wnl s LYS 143 CO -0.04 0.30 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.48 2wnl s PHE 144 N -1.85 1.61 0.15 3.18 0.08 0.08 -1.33 117.98 119.90 2wnl s PHE 144 Ca 0.47 -0.49 -0.24 0.00 0.12 0.00 0.00 56.93 56.79 2wnl s PHE 144 Cb -0.11 -1.11 0.08 0.00 -0.57 0.00 0.00 43.02 41.31 2wnl s PHE 144 CO 0.22 -0.19 1.06 0.20 -0.10 0.00 0.00 175.22 176.42 2wnl s GLY 145 N 0.19 -0.02 0.25 4.36 0.00 -0.74 -0.20 107.32 111.15 2wnl s GLY 145 Ca -0.06 -0.13 -0.30 0.00 0.00 0.00 0.00 44.72 44.23 2wnl s GLY 145 CO 0.03 2.00 1.44 -0.45 0.00 0.00 0.00 173.10 176.12 2wnl s SER 146 N -3.31 6.66 0.13 1.64 0.15 -1.26 -0.42 113.70 117.28 2wnl s SER 146 Ca 0.20 2.66 -0.07 0.00 0.70 0.00 0.00 55.95 59.44 2wnl s SER 146 Cb -0.02 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.58 2wnl s SER 146 CO 0.03 -0.70 1.32 -0.25 1.20 0.00 0.00 173.24 174.84 2wnl h TRP 147 N 5.05 0.75 0.00 3.44 2.91 -1.88 -3.39 115.95 122.84 2wnl h TRP 147 Ca -0.46 -0.38 0.00 0.00 1.13 0.00 0.00 58.89 59.18 2wnl h TRP 147 Cb 1.22 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 2wnl h TRP 147 CO 0.60 1.19 0.00 1.33 -1.03 0.00 0.00 178.44 180.53 2wnl n VAL 148 N -3.82 0.00 -4.13 2.65 0.24 -1.26 -5.03 118.33 106.98 2wnl n VAL 148 Ca -0.07 -0.48 -0.32 0.00 -2.04 0.00 0.00 64.34 61.43 2wnl n VAL 148 Cb 0.80 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 34.11 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 -0.54 3.16 0.50 6.34 2.02 -1.26 -5.13 117.35 122.43 2wnl s TYR 149 Ca 0.00 0.10 0.08 0.00 -0.37 0.00 0.00 57.07 56.89 2wnl s TYR 149 Cb 0.00 -1.66 0.04 0.00 -0.40 0.00 0.00 41.96 39.95 2wnl s TYR 149 CO 0.00 0.51 0.63 -1.54 -1.57 0.00 0.00 175.55 173.58 2wnl s SER 150 N -1.98 5.23 0.23 2.29 1.04 -1.26 -4.70 113.70 114.55 2wnl s SER 150 Ca 0.24 -0.74 0.16 0.00 0.48 0.00 0.00 55.95 56.10 2wnl s SER 150 Cb -0.12 -0.11 0.86 0.00 0.10 0.00 0.00 66.02 66.75 2wnl s SER 150 CO 0.16 -1.04 1.50 0.61 0.98 0.00 0.00 173.24 175.45 2wnl n GLY 151 N -1.98 -0.82 0.20 7.32 0.00 -0.02 -0.68 105.19 109.21 2wnl n GLY 151 Ca 0.10 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 0.05 -1.95 -3.38 116.94 113.27 2wnl h PHE 152 Ca 0.00 0.00 -0.17 0.00 3.82 0.00 0.00 57.97 61.62 2wnl h PHE 152 Cb 0.04 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 37.96 2wnl h PHE 152 CO 0.00 0.00 -1.62 0.39 -0.18 0.00 0.00 178.31 176.90 2wnl n GLU 153 N -2.89 0.26 -3.85 1.51 4.71 0.14 -4.07 120.64 116.46 2wnl n GLU 153 Ca 0.04 0.07 -0.26 0.00 -0.01 0.00 0.00 57.16 57.00 2wnl n GLU 153 Cb 0.46 -1.14 -0.17 0.00 -1.01 0.00 0.00 31.44 29.57 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 -2.21 0.78 0.00 -3.67 1.01 -0.12 -1.48 121.20 115.51 2wnl s ILE 154 Ca -0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2wnl s ILE 154 Cb 0.04 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 2wnl s ILE 154 CO 0.24 0.28 0.16 -0.62 0.00 0.00 0.00 174.94 175.00 2wnl s ASP 155 N 1.80 6.20 0.40 3.58 2.15 -0.25 -3.81 116.67 126.73 2wnl s ASP 155 Ca 0.04 0.28 0.08 0.00 0.43 0.00 0.00 52.55 53.38 2wnl s ASP 155 Cb -0.13 -1.90 -0.03 0.00 -0.30 0.00 0.00 42.92 40.56 2wnl s ASP 155 CO -0.07 0.25 0.31 -0.76 -0.17 0.00 0.00 175.17 174.73 2wnl s LEU 156 N -1.99 3.36 -0.18 -1.34 1.43 -1.26 -1.00 118.68 117.69 2wnl s LEU 156 Ca 0.27 -0.77 -0.35 0.00 -1.03 0.00 0.00 54.13 52.25 2wnl s LEU 156 Cb -0.13 -1.94 0.14 0.00 0.03 0.00 0.00 46.19 44.29 2wnl s LEU 156 CO 0.19 -0.56 1.21 -1.59 0.23 0.00 0.00 176.35 175.83 2wnl s LYS 157 N -4.05 0.32 0.32 1.70 -2.85 -0.94 -4.87 119.74 109.38 2wnl s LYS 157 Ca 0.45 -0.12 0.10 0.00 -1.00 0.00 0.00 55.97 55.40 2wnl s LYS 157 Cb -0.02 0.14 -0.05 0.00 -2.06 0.00 0.00 37.83 35.84 2wnl s LYS 157 CO 0.26 -0.14 -0.05 0.95 0.10 0.00 0.00 175.35 176.48 2wnl s THR 158 N -2.43 2.69 -0.15 3.79 -4.23 -1.26 -0.51 115.64 113.53 2wnl s THR 158 Ca 0.10 -2.08 0.20 0.00 -1.18 0.00 0.00 61.69 58.73 2wnl s THR 158 Cb -0.01 -2.69 -0.13 0.00 1.34 0.00 0.00 72.50 71.01 2wnl s THR 158 CO -0.05 -0.27 0.78 0.47 -0.54 0.00 0.00 174.62 175.02 2wnl n ASP 159 N -0.86 0.61 -3.85 3.99 8.00 -1.26 -4.92 116.55 118.26 2wnl n ASP 159 Ca -0.05 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 2wnl n ASP 159 Cb 0.61 0.74 -0.09 0.00 -0.02 0.00 0.00 41.12 42.36 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 -3.20 0.10 -2.33 -3.53 -1.32 -1.26 -5.04 115.64 99.07 2wnl s THR 160 Ca -0.04 -0.86 0.22 0.00 -1.21 0.00 0.00 61.69 59.80 2wnl s THR 160 Cb 0.10 -0.84 0.45 0.00 -1.51 0.00 0.00 72.50 70.71 2wnl s THR 160 CO 0.83 -0.47 1.44 -0.90 -2.21 0.00 0.00 174.62 173.31 2wnl n ASP 161 N 0.81 2.98 -4.43 8.08 5.75 -1.26 -4.82 116.55 123.66 2wnl n ASP 161 Ca -0.19 -1.93 -0.38 0.00 -0.01 0.00 0.00 54.79 52.27 2wnl n ASP 161 Cb 0.58 -0.25 -0.12 0.00 -1.03 0.00 0.00 41.12 40.31 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2wnl s GLN 162 N -1.50 3.33 0.44 0.11 -1.52 -1.26 -0.52 119.66 118.73 2wnl s GLN 162 Ca 0.37 -0.72 -0.26 0.00 -1.95 0.00 0.00 55.36 52.81 2wnl s GLN 162 Cb 0.21 -3.52 -0.08 0.00 -0.22 0.00 0.00 33.01 29.40 2wnl s GLN 162 CO 0.29 -0.40 1.40 0.08 -0.25 0.00 0.00 175.29 176.41 2wnl s VAL 163 N 1.60 2.21 -0.13 1.09 1.01 -0.92 -4.90 120.40 120.35 2wnl s VAL 163 Ca 0.04 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2wnl s VAL 163 Cb -0.17 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2wnl s VAL 163 CO 0.05 0.03 1.29 -0.62 0.00 0.00 0.00 175.10 175.85 2wnl s ASP 164 N -0.55 6.94 -0.07 3.32 3.68 -0.72 -4.90 116.67 124.36 2wnl s ASP 164 Ca 0.60 1.77 0.12 0.00 2.13 0.00 0.00 52.55 57.16 2wnl s ASP 164 Cb -0.42 -2.54 0.31 0.00 -1.45 0.00 0.00 42.92 38.81 2wnl s ASP 164 CO 0.55 -0.74 1.23 0.18 0.13 0.00 0.00 175.17 176.52 2wnl n LEU 165 N 6.37 2.92 0.04 -1.34 4.77 -1.26 -2.00 117.00 126.49 2wnl n LEU 165 Ca 0.14 -2.48 0.09 0.00 -0.03 0.00 0.00 56.01 53.73 2wnl n LEU 165 Cb 0.45 -0.31 0.39 0.00 -2.33 0.00 0.00 43.42 41.62 2wnl n LEU 165 CO 0.56 0.66 0.79 -1.54 -1.33 0.00 0.00 177.39 176.54 2wnl n SER 166 N -0.31 0.21 -0.05 -1.43 3.41 -1.26 -2.24 113.62 111.94 2wnl n SER 166 Ca 0.13 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 2wnl n SER 166 Cb 0.56 -0.59 0.07 0.00 -0.26 0.00 0.00 64.21 63.99 2wnl n SER 166 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wnl n SER 167 N -1.72 2.20 -4.74 4.04 7.64 -1.26 -5.05 113.62 114.73 2wnl n SER 167 Ca 0.04 -2.56 -0.42 0.00 1.01 0.00 0.00 58.87 56.94 2wnl n SER 167 Cb 0.21 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.97 3.05 0.02 1.43 5.04 -0.95 -4.61 117.35 119.36 2wnl s TYR 168 Ca 0.17 0.94 -0.31 0.00 -2.44 0.00 0.00 57.07 55.43 2wnl s TYR 168 Cb 0.15 -3.83 -0.09 0.00 0.35 0.00 0.00 41.96 38.53 2wnl s TYR 168 CO 0.02 -2.80 1.97 0.98 -1.34 0.00 0.00 175.55 174.38 2wnl n TYR 169 N 2.82 2.49 0.44 4.97 9.36 0.25 -4.87 117.16 132.62 2wnl n TYR 169 Ca 0.09 -0.33 0.13 0.00 3.32 0.00 0.00 57.90 61.10 2wnl n TYR 169 Cb 0.40 -2.79 0.36 0.00 -0.63 0.00 0.00 39.34 36.68 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 10.48 1.00 -0.45 2.98 0.00 -1.90 -3.03 119.26 128.35 2wnl h ALA 170 Ca -0.50 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.14 2wnl h ALA 170 Cb 1.24 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.86 2wnl h ALA 170 CO 0.94 0.00 -0.17 0.43 0.00 0.00 0.00 179.25 180.45 2wnl n SER 171 N -2.60 3.25 -4.77 0.00 7.64 -1.26 -5.04 113.62 110.84 2wnl n SER 171 Ca 0.04 -3.80 -0.33 0.00 1.01 0.00 0.00 58.87 55.79 2wnl n SER 171 Cb 0.43 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 63.06 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 -2.73 5.16 0.50 6.43 0.15 -1.15 -4.92 113.70 117.14 2wnl s SER 172 Ca 0.47 2.06 0.16 0.00 0.70 0.00 0.00 55.95 59.33 2wnl s SER 172 Cb 0.41 -2.56 1.20 0.00 -1.71 0.00 0.00 66.02 63.36 2wnl s SER 172 CO -0.00 -1.60 2.11 0.11 1.20 0.00 0.00 173.24 175.06 2wnl h LYS 173 N 0.23 0.00 -5.87 5.44 1.79 -1.92 -3.43 116.57 112.81 2wnl h LYS 173 Ca -0.47 -0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.32 2wnl h LYS 173 Cb 1.25 -0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.65 2wnl h LYS 173 CO 0.54 0.05 -0.77 0.71 -1.08 0.00 0.00 179.45 178.90 2wnl s TYR 174 N -4.96 2.75 0.01 -1.35 1.51 -1.26 -0.49 117.35 113.56 2wnl s TYR 174 Ca -0.05 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2wnl s TYR 174 Cb 0.17 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 2wnl s TYR 174 CO 0.68 0.00 0.23 -2.00 -1.11 0.00 0.00 175.55 173.35 2wnl s GLU 175 N -0.24 3.51 -0.30 -0.62 2.12 0.49 -4.80 118.70 118.86 2wnl s GLU 175 Ca 0.01 -0.21 -0.11 0.00 0.36 0.00 0.00 54.97 55.02 2wnl s GLU 175 Cb -0.13 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 2wnl s GLU 175 CO 0.03 0.64 0.20 0.42 -0.54 0.00 0.00 175.26 176.01 2wnl s ILE 176 N -1.35 5.26 -0.04 -3.70 -1.09 -1.26 -1.98 121.20 117.04 2wnl s ILE 176 Ca 0.29 0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.65 2wnl s ILE 176 Cb -0.13 -3.56 -0.31 0.00 -1.58 0.00 0.00 42.46 36.88 2wnl s ILE 176 CO 0.19 0.18 0.71 -0.07 -1.23 0.00 0.00 174.94 174.72 2wnl h LEU 177 N 8.40 0.62 -7.00 2.97 3.38 -0.93 -3.49 115.31 119.26 2wnl h LEU 177 Ca -0.34 -0.89 0.05 0.00 0.09 0.00 0.00 57.88 56.78 2wnl h LEU 177 Cb 1.18 -0.20 -0.18 0.00 0.09 0.00 0.00 40.66 41.55 2wnl h LEU 177 CO 0.57 1.75 0.40 -0.94 0.09 0.00 0.00 178.44 180.32 2wnl s SER 178 N -7.29 -0.46 -0.12 -0.43 1.04 -1.06 -4.99 113.70 100.39 2wnl s SER 178 Ca -0.15 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.50 2wnl s SER 178 Cb 0.05 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.66 2wnl s SER 178 CO 0.86 -0.59 0.25 0.00 0.98 0.00 0.00 173.24 174.73 2wnl s ALA 179 N -2.26 -0.49 0.17 5.32 0.00 -1.26 -0.01 121.76 123.23 2wnl s ALA 179 Ca -0.01 0.87 0.07 0.00 0.00 0.00 0.00 51.96 52.90 2wnl s ALA 179 Cb -0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2wnl s ALA 179 CO -0.03 -0.61 -0.15 0.95 0.00 0.00 0.00 175.76 175.92 2wnl s THR 180 N 2.35 1.60 -0.28 0.00 -4.23 -0.61 -2.17 115.64 112.30 2wnl s THR 180 Ca 0.01 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2wnl s THR 180 Cb -0.12 -1.85 0.09 0.00 1.34 0.00 0.00 72.50 71.96 2wnl s THR 180 CO -0.08 -0.50 0.11 0.00 -0.54 0.00 0.00 174.62 173.61 2wnl s GLN 181 N -3.22 0.43 -0.07 3.99 -2.07 0.32 -1.21 119.66 117.85 2wnl s GLN 181 Ca 0.17 -0.72 0.04 0.00 -1.82 0.00 0.00 55.36 53.03 2wnl s GLN 181 Cb -0.03 -1.60 -0.02 0.00 -1.09 0.00 0.00 33.01 30.27 2wnl s GLN 181 CO 0.05 -0.96 -0.19 0.99 -1.32 0.00 0.00 175.29 173.87 2wnl s THR 182 N 1.89 2.64 0.23 3.63 2.01 -0.59 -4.39 115.64 121.05 2wnl s THR 182 Ca 0.08 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 2wnl s THR 182 Cb -0.17 -2.02 -0.09 0.00 0.01 0.00 0.00 72.50 70.23 2wnl s THR 182 CO -0.29 0.57 1.25 -0.60 -0.69 0.00 0.00 174.62 174.86 2wnl s ARG 183 N -0.31 4.44 0.07 4.92 3.52 -1.26 0.27 118.95 130.60 2wnl s ARG 183 Ca 0.02 2.00 0.04 0.00 -0.13 0.00 0.00 55.73 57.66 2wnl s ARG 183 Cb -0.13 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2wnl s ARG 183 CO 0.02 -0.13 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.61 2wnl s GLN 184 N -0.65 0.75 0.15 5.12 -0.21 -0.51 -4.93 119.66 119.38 2wnl s GLN 184 Ca 0.52 -0.91 0.11 0.00 0.02 0.00 0.00 55.36 55.10 2wnl s GLN 184 Cb -0.35 -0.69 -0.04 0.00 1.00 0.00 0.00 33.01 32.92 2wnl s GLN 184 CO 0.41 0.15 -0.25 0.08 -2.12 0.00 0.00 175.29 173.56 2wnl s VAL 185 N -1.33 2.22 -0.02 1.09 1.01 -1.26 -2.09 120.40 120.02 2wnl s VAL 185 Ca -0.04 -1.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.02 2wnl s VAL 185 Cb -0.10 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2wnl s VAL 185 CO 0.02 -0.01 0.17 -1.10 0.00 0.00 0.00 175.10 174.18 2wnl s GLN 186 N -2.28 0.45 0.11 2.72 -0.21 -0.23 -4.96 119.66 115.26 2wnl s GLN 186 Ca 0.16 -0.22 0.09 0.00 0.02 0.00 0.00 55.36 55.41 2wnl s GLN 186 Cb -0.09 0.19 -0.04 0.00 1.00 0.00 0.00 33.01 34.07 2wnl s GLN 186 CO 0.07 -0.10 -0.21 -1.01 -2.12 0.00 0.00 175.29 171.91 2wnl s HIS 187 N -1.03 1.87 0.13 0.91 3.76 -1.26 -0.43 115.29 119.24 2wnl s HIS 187 Ca -0.11 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.42 2wnl s HIS 187 Cb -0.06 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.58 2wnl s HIS 187 CO 0.02 0.24 0.14 0.71 -0.85 0.00 0.00 174.74 175.00 2wnl s TYR 188 N -1.24 3.22 0.48 1.40 2.02 -1.26 -5.01 117.35 116.96 2wnl s TYR 188 Ca 0.09 0.04 0.28 0.00 -0.37 0.00 0.00 57.07 57.10 2wnl s TYR 188 Cb -0.10 -1.58 1.35 0.00 -0.40 0.00 0.00 41.96 41.23 2wnl s TYR 188 CO 0.05 0.52 1.83 1.03 -1.57 0.00 0.00 175.55 177.41 2wnl h SER 189 N 2.69 0.18 0.75 2.29 0.87 -2.01 -3.02 113.55 115.30 2wnl h SER 189 Ca -0.47 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 59.96 2wnl h SER 189 Cb 1.19 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2wnl h SER 189 CO 0.65 0.04 -1.35 0.00 -0.53 0.00 0.00 176.83 175.65 2wnl h PRO 192 N 5.56 0.00 -6.85 0.00 0.13 -1.95 -3.40 132.00 125.50 2wnl h PRO 192 Ca -0.29 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.36 2wnl h PRO 192 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wnl h PRO 192 CO 0.47 0.50 0.38 -1.83 -0.23 0.00 0.00 178.00 177.29 2wnl s GLU 193 N -3.76 4.60 0.55 0.86 1.03 -1.26 -5.02 118.70 115.70 2wnl s GLU 193 Ca -0.01 1.47 -0.16 0.00 0.03 0.00 0.00 54.97 56.29 2wnl s GLU 193 Cb 0.13 -2.94 -0.06 0.00 -0.80 0.00 0.00 34.13 30.46 2wnl s GLU 193 CO 0.73 0.27 1.02 -1.25 -1.33 0.00 0.00 175.26 174.70 2wnl s PRO 194 N -1.81 3.67 -0.11 -4.83 0.04 -1.26 -4.61 135.00 126.09 2wnl s PRO 194 Ca 0.48 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2wnl s PRO 194 Cb -0.23 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.24 2wnl s PRO 194 CO 0.29 -0.51 -0.14 0.71 0.04 0.00 0.00 177.00 177.39 2wnl s TYR 195 N -2.51 1.88 0.03 0.56 2.02 0.43 -0.84 117.35 118.93 2wnl s TYR 195 Ca 0.61 -0.89 0.04 0.00 -0.37 0.00 0.00 57.07 56.46 2wnl s TYR 195 Cb -0.13 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2wnl s TYR 195 CO 0.33 -0.48 -0.07 0.42 -1.57 0.00 0.00 175.55 174.19 2wnl s ILE 196 N 1.08 3.64 0.29 2.71 -1.09 -1.26 -1.07 121.20 125.50 2wnl s ILE 196 Ca -0.05 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.44 2wnl s ILE 196 Cb -0.15 -2.62 -0.01 0.00 -1.58 0.00 0.00 42.46 38.11 2wnl s ILE 196 CO -0.03 0.32 0.42 1.51 -1.23 0.00 0.00 174.94 175.94 2wnl s ASP 197 N -1.62 0.48 -0.12 3.58 -4.77 -0.89 -4.56 116.67 108.77 2wnl s ASP 197 Ca 0.19 -1.29 0.02 0.00 -3.30 0.00 0.00 52.55 48.17 2wnl s ASP 197 Cb -0.11 0.60 0.01 0.00 -1.09 0.00 0.00 42.92 42.33 2wnl s ASP 197 CO 0.10 -1.18 -0.19 -0.69 0.70 0.00 0.00 175.17 173.91 2wnl s VAL 198 N -3.53 1.77 -0.33 2.11 1.01 0.72 -1.42 120.40 120.74 2wnl s VAL 198 Ca 0.29 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 2wnl s VAL 198 Cb 0.01 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2wnl s VAL 198 CO 0.15 0.50 0.18 0.21 0.00 0.00 0.00 175.10 176.14 2wnl s ASN 199 N 0.81 5.68 -0.35 3.32 3.04 0.14 -0.74 114.94 126.83 2wnl s ASN 199 Ca -0.09 -0.61 -0.18 0.00 0.04 0.00 0.00 52.86 52.03 2wnl s ASN 199 Cb -0.16 -2.03 -0.00 0.00 -1.54 0.00 0.00 41.25 37.52 2wnl s ASN 199 CO 0.00 -0.24 0.49 -0.22 -3.04 0.00 0.00 177.10 174.08 2wnl s LEU 200 N 1.62 4.38 -0.23 3.21 2.96 -0.39 -1.55 118.68 128.68 2wnl s LEU 200 Ca 0.04 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2wnl s LEU 200 Cb -0.18 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.01 2wnl s LEU 200 CO 0.07 -0.46 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.83 2wnl s VAL 201 N 2.33 2.37 -0.06 1.68 1.01 -0.35 -1.86 120.40 125.52 2wnl s VAL 201 Ca 0.17 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2wnl s VAL 201 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2wnl s VAL 201 CO 0.13 0.20 -0.09 -0.69 0.00 0.00 0.00 175.10 174.65 2wnl s VAL 202 N 1.23 3.49 -0.12 2.92 1.01 -0.02 -1.58 120.40 127.33 2wnl s VAL 202 Ca -0.02 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2wnl s VAL 202 Cb -0.17 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.81 2wnl s VAL 202 CO -0.07 0.59 -0.19 -0.75 0.00 0.00 0.00 175.10 174.69 2wnl s LYS 203 N -0.74 2.62 0.09 2.72 2.47 0.98 -1.59 119.74 126.28 2wnl s LYS 203 Ca 0.11 -0.71 -0.14 0.00 -1.56 0.00 0.00 55.97 53.67 2wnl s LYS 203 Cb -0.11 -2.14 0.02 0.00 -1.46 0.00 0.00 37.83 34.14 2wnl s LYS 203 CO 0.01 -0.02 0.33 -0.59 0.16 0.00 0.00 175.35 175.24 2wnl s PHE 204 N 0.85 -0.11 0.11 4.03 -0.12 -0.72 -0.17 117.98 121.85 2wnl s PHE 204 Ca -0.08 -0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2wnl s PHE 204 Cb -0.15 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.35 2wnl s PHE 204 CO -0.01 -0.60 0.10 -0.98 -0.05 0.00 0.00 175.22 173.68 2wnl s ARG 205 N -3.35 0.87 0.11 1.99 1.70 -0.84 -0.57 118.95 118.86 2wnl s ARG 205 Ca 0.00 -1.26 -0.32 0.00 -0.47 0.00 0.00 55.73 53.69 2wnl s ARG 205 Cb 0.02 0.27 -0.11 0.00 -0.57 0.00 0.00 34.95 34.56 2wnl s ARG 205 CO -0.09 -0.25 1.80 0.39 -1.08 0.00 0.00 175.30 176.08 2wnl n GLU 206 N -0.05 2.63 -1.74 3.89 1.02 -0.65 -0.38 120.64 125.35 2wnl n GLU 206 Ca -0.10 0.96 -0.42 0.00 -0.02 0.00 0.00 57.16 57.58 2wnl n GLU 206 Cb 0.63 -2.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.19 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 2.56 4.15 0.49 3.49 3.52 0.35 -4.75 118.95 128.76 2wnl s ARG 207 Ca 0.82 2.54 -0.14 0.00 -0.13 0.00 0.00 55.73 58.82 2wnl s ARG 207 Cb -0.54 -3.97 -0.07 0.00 -1.56 0.00 0.00 34.95 28.81 2wnl s ARG 207 CO 0.39 -0.90 0.92 1.03 -0.81 0.00 0.00 175.30 175.93 2wnl s ARG 208 N 3.88 3.86 0.00 5.12 0.52 -1.26 -4.98 118.95 126.10 2wnl s ARG 208 Ca 0.84 0.77 0.18 0.00 -0.52 0.00 0.00 55.73 57.00 2wnl s ARG 208 Cb -0.42 -2.22 1.08 0.00 0.52 0.00 0.00 34.95 33.91 2wnl s ARG 208 CO 0.38 -0.22 1.48 0.00 0.02 0.00 0.00 175.30 176.96