#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 0.00 -0.26 1.67 3.45 -2.06 -1.70 116.42 117.52 2wnl h ASP -2 Ca 0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 2wnl h ASP -2 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2wnl h ASP -2 CO 0.00 0.14 -0.25 0.11 -1.57 0.00 0.00 179.24 177.67 2wnl h LYS -1 N 0.00 0.63 -0.07 3.56 1.57 -2.06 -2.89 116.57 117.32 2wnl h LYS -1 Ca -0.00 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2wnl h LYS -1 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2wnl h LYS -1 CO 0.02 0.93 -0.10 1.25 -0.57 0.00 0.00 179.45 180.98 2wnl h LEU 0 N 0.35 0.09 -1.00 2.94 5.85 -1.92 -2.27 115.31 119.35 2wnl h LEU 0 Ca 0.04 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wnl h LEU 0 Cb 0.80 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2wnl h LEU 0 CO 0.06 0.20 0.57 0.45 -0.34 0.00 0.00 178.44 179.38 2wnl h HIS 1 N 0.09 1.21 0.00 1.25 3.86 -1.20 -2.49 115.15 117.88 2wnl h HIS 1 Ca 0.02 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.03 2wnl h HIS 1 Cb 0.24 -0.40 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 2wnl h HIS 1 CO 0.00 0.80 -1.02 0.66 0.86 0.00 0.00 177.93 179.23 2wnl h SER 2 N 1.28 0.00 -0.56 2.45 4.64 -1.21 -2.73 113.55 117.42 2wnl h SER 2 Ca 0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2wnl h SER 2 Cb -0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2wnl h SER 2 CO -0.06 0.93 0.26 1.56 -0.87 0.00 0.00 176.83 178.64 2wnl h GLN 3 N 0.00 0.81 -0.60 4.77 4.20 -1.48 -1.99 115.11 120.82 2wnl h GLN 3 Ca -0.04 -0.13 0.07 0.00 0.06 0.00 0.00 58.65 58.62 2wnl h GLN 3 Cb 1.74 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 29.32 2wnl h GLN 3 CO 0.11 0.67 0.27 0.00 -0.67 0.00 0.00 178.83 179.22 2wnl h ALA 4 N 1.09 0.78 -0.27 3.87 0.00 -1.33 0.27 119.26 123.68 2wnl h ALA 4 Ca 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2wnl h ALA 4 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wnl h ALA 4 CO -0.02 -0.11 0.15 -0.91 0.00 0.00 0.00 179.25 178.35 2wnl h ASN 5 N 0.49 0.34 -0.17 0.00 2.35 -1.31 0.22 115.58 117.49 2wnl h ASN 5 Ca 0.29 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2wnl h ASN 5 Cb 0.28 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2wnl h ASN 5 CO -0.24 0.33 0.04 0.25 -1.65 0.00 0.00 177.43 176.16 2wnl h LEU 6 N 0.32 0.26 -0.50 1.61 5.85 -0.85 0.06 115.31 122.05 2wnl h LEU 6 Ca 0.09 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.66 2wnl h LEU 6 Cb 0.07 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2wnl h LEU 6 CO -0.01 0.43 0.09 0.24 -0.34 0.00 0.00 178.44 178.85 2wnl h MET 7 N 0.08 0.22 -0.76 1.25 2.86 -0.42 -0.13 114.93 118.02 2wnl h MET 7 Ca 0.05 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2wnl h MET 7 Cb 0.27 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 2wnl h MET 7 CO 0.00 0.14 0.36 -0.09 1.06 0.00 0.00 176.91 178.39 2wnl h ARG 8 N 0.23 1.09 -0.19 1.72 2.43 -0.62 -1.16 114.38 117.87 2wnl h ARG 8 Ca 0.25 -0.15 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 2wnl h ARG 8 Cb 0.34 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2wnl h ARG 8 CO -0.33 0.84 -0.28 1.25 -1.51 0.00 0.00 179.97 179.94 2wnl h LEU 9 N 1.08 0.58 -0.79 3.80 5.85 -0.38 -1.29 115.31 124.17 2wnl h LEU 9 Ca 0.26 -0.52 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 2wnl h LEU 9 Cb 0.11 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2wnl h LEU 9 CO -0.03 0.98 -0.13 0.11 -0.34 0.00 0.00 178.44 179.03 2wnl h LYS 10 N 0.20 0.78 -0.06 1.25 1.57 -0.84 -0.51 116.57 118.97 2wnl h LYS 10 Ca 0.02 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 2wnl h LYS 10 Cb 0.85 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2wnl h LYS 10 CO 0.06 0.87 -0.63 0.66 -0.57 0.00 0.00 179.45 179.85 2wnl h SER 11 N 0.71 0.24 -0.38 0.86 4.64 -1.23 -2.09 113.55 116.30 2wnl h SER 11 Ca 0.12 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2wnl h SER 11 Cb 0.61 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2wnl h SER 11 CO 0.04 0.81 -0.09 0.44 -0.87 0.00 0.00 176.83 177.16 2wnl h ASP 12 N 0.15 0.74 0.41 4.97 5.19 -0.89 -1.90 116.42 125.09 2wnl h ASP 12 Ca -0.01 -0.36 -0.17 0.00 -0.62 0.00 0.00 57.03 55.86 2wnl h ASP 12 Cb 1.15 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2wnl h ASP 12 CO 0.10 0.93 -0.74 -0.07 -3.12 0.00 0.00 179.24 176.34 2wnl h LEU 13 N 0.54 0.33 0.00 1.55 3.38 -1.06 -3.28 115.31 116.77 2wnl h LEU 13 Ca 0.10 -0.22 -0.34 0.00 0.09 0.00 0.00 57.88 57.51 2wnl h LEU 13 Cb 0.60 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2wnl h LEU 13 CO 0.04 0.95 -2.28 0.49 0.09 0.00 0.00 178.44 177.73 2wnl n PHE 14 N -3.79 0.00 0.92 1.13 0.99 -0.79 -4.54 117.46 111.38 2wnl n PHE 14 Ca -0.03 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.52 2wnl n PHE 14 Cb 0.71 -0.91 0.06 0.00 -1.00 0.00 0.00 39.48 38.34 2wnl n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2wnl n ASN 15 N -2.80 2.57 -0.07 4.37 5.03 -0.72 -4.60 115.26 119.04 2wnl n ASN 15 Ca -0.33 -1.78 -0.22 0.00 0.87 0.00 0.00 54.58 53.12 2wnl n ASN 15 Cb 1.06 0.15 -0.12 0.00 -1.02 0.00 0.00 39.78 39.84 2wnl n ASN 15 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2wnl n ARG 16 N 0.85 0.66 -4.40 3.52 0.63 -1.24 -4.97 116.66 111.71 2wnl n ARG 16 Ca 0.12 0.35 -0.28 0.00 -0.92 0.00 0.00 57.85 57.11 2wnl n ARG 16 Cb 0.52 -1.67 -0.13 0.00 0.45 0.00 0.00 32.46 31.63 2wnl n ARG 16 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2wnl s SER 17 N -6.97 3.34 0.15 6.15 0.01 -1.26 -5.08 113.70 110.04 2wnl s SER 17 Ca -0.28 -0.78 -0.31 0.00 1.31 0.00 0.00 55.95 55.88 2wnl s SER 17 Cb 0.08 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 65.98 2wnl s SER 17 CO 0.66 0.16 1.67 -2.84 0.41 0.00 0.00 173.24 173.30 2wnl s PRO 18 N -2.23 4.18 0.81 12.44 0.02 -1.26 -4.86 135.00 144.09 2wnl s PRO 18 Ca 0.16 2.46 -0.14 0.00 0.02 0.00 0.00 61.00 63.50 2wnl s PRO 18 Cb -0.09 -3.30 0.06 0.00 0.02 0.00 0.00 34.50 31.19 2wnl s PRO 18 CO 0.07 -0.71 1.03 -1.33 -0.33 0.00 0.00 177.00 175.73 2wnl n MET 19 N 4.60 0.16 -1.69 5.54 2.81 -1.26 -4.82 117.12 122.46 2wnl n MET 19 Ca 0.15 0.12 -0.57 0.00 -1.81 0.00 0.00 57.70 55.60 2wnl n MET 19 Cb 0.38 -2.29 -0.07 0.00 -0.71 0.00 0.00 33.22 30.53 2wnl n MET 19 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2wnl n TYR 20 N -3.18 1.94 1.26 2.03 -0.00 -1.26 -4.87 117.16 113.08 2wnl n TYR 20 Ca 0.12 0.58 0.12 0.00 -0.00 0.00 0.00 57.90 58.73 2wnl n TYR 20 Cb 0.51 -2.43 0.64 0.00 -0.00 0.00 0.00 39.34 38.06 2wnl n TYR 20 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2wnl n PRO 21 N 4.83 0.48 0.00 2.98 -0.04 -1.26 -4.88 135.00 137.12 2wnl n PRO 21 Ca 0.25 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2wnl n PRO 21 Cb 0.13 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 0.65 1.10 3.81 0.55 0.00 -1.26 -5.03 105.19 105.00 2wnl n GLY 22 Ca 0.14 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.25 3.00 0.30 1.61 0.04 -1.26 -5.07 135.00 131.37 2wnl s PRO 23 Ca 0.00 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2wnl s PRO 23 Cb 0.00 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2wnl s PRO 23 CO 0.00 -1.05 0.15 0.95 0.04 0.00 0.00 177.00 177.09 2wnl s THR 24 N -2.88 0.33 0.32 1.26 -4.23 -1.07 -5.00 115.64 104.37 2wnl s THR 24 Ca 0.60 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.18 2wnl s THR 24 Cb -0.15 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.23 2wnl s THR 24 CO 0.50 0.00 1.74 0.50 -0.54 0.00 0.00 174.62 176.82 2wnl h LYS 25 N 2.24 0.21 0.00 3.99 3.64 -1.92 -1.75 116.57 122.97 2wnl h LYS 25 Ca -0.34 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 2wnl h LYS 25 Cb 1.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 2wnl h LYS 25 CO 0.53 0.55 -0.47 -0.44 -2.27 0.00 0.00 179.45 177.35 2wnl h ASP 26 N 0.18 0.00 -2.09 4.20 3.45 -1.97 -3.38 116.42 116.81 2wnl h ASP 26 Ca 0.02 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.91 2wnl h ASP 26 Cb 0.74 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 39.11 2wnl h ASP 26 CO 0.06 0.47 -0.96 -0.67 -1.57 0.00 0.00 179.24 176.56 2wnl n ASP 27 N -3.70 1.09 -4.71 6.45 2.03 -0.80 -5.13 116.55 111.79 2wnl n ASP 27 Ca -0.01 -2.87 -0.30 0.00 0.52 0.00 0.00 54.79 52.13 2wnl n ASP 27 Cb 0.54 -0.64 0.14 0.00 -0.72 0.00 0.00 41.12 40.43 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 -1.44 1.16 -0.01 -0.67 0.04 -0.73 -2.61 135.00 130.73 2wnl s PRO 28 Ca 0.36 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2wnl s PRO 28 Cb 0.15 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.91 2wnl s PRO 28 CO -0.09 -2.30 0.00 -1.17 0.04 0.00 0.00 177.00 173.48 2wnl s LEU 29 N -6.25 1.54 -0.18 -3.56 2.96 -0.23 -4.94 118.68 108.02 2wnl s LEU 29 Ca 0.64 -0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2wnl s LEU 29 Cb -0.18 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 2wnl s LEU 29 CO 0.57 -0.05 0.06 -0.89 -1.32 0.00 0.00 176.35 174.72 2wnl s THR 30 N 0.53 4.74 -0.15 3.68 2.01 -1.26 -0.68 115.64 124.50 2wnl s THR 30 Ca -0.05 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2wnl s THR 30 Cb -0.07 -3.14 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2wnl s THR 30 CO -0.01 0.46 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.49 2wnl s VAL 31 N 0.41 2.23 -0.04 3.82 1.01 0.76 -4.46 120.40 124.12 2wnl s VAL 31 Ca 0.03 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 2wnl s VAL 31 Cb -0.13 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2wnl s VAL 31 CO 0.00 0.54 0.43 -0.89 0.00 0.00 0.00 175.10 175.18 2wnl s THR 32 N 0.90 5.08 0.08 3.92 2.01 -0.39 -1.45 115.64 125.79 2wnl s THR 32 Ca -0.05 0.87 0.09 0.00 0.31 0.00 0.00 61.69 62.91 2wnl s THR 32 Cb -0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 2wnl s THR 32 CO -0.03 0.49 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.39 2wnl s LEU 33 N -0.46 2.38 -0.15 4.42 1.43 -0.07 -2.03 118.68 124.21 2wnl s LEU 33 Ca 0.24 -0.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2wnl s LEU 33 Cb -0.16 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.75 2wnl s LEU 33 CO 0.12 0.22 0.39 -0.83 0.23 0.00 0.00 176.35 176.48 2wnl s GLY 34 N -1.67 -0.29 -0.10 -3.19 0.00 -0.51 -4.44 107.32 97.11 2wnl s GLY 34 Ca 0.14 1.10 0.02 0.00 0.00 0.00 0.00 44.72 45.98 2wnl s GLY 34 CO 0.05 0.95 -0.18 -1.36 0.00 0.00 0.00 173.10 172.55 2wnl s PHE 35 N 0.18 2.67 -0.22 1.90 0.08 -1.26 -0.78 117.98 120.55 2wnl s PHE 35 Ca -0.00 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.26 2wnl s PHE 35 Cb -0.03 -1.75 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 2wnl s PHE 35 CO 0.01 -0.26 -0.08 0.99 -0.10 0.00 0.00 175.22 175.78 2wnl s THR 36 N 0.20 2.95 -0.27 0.64 2.01 -0.34 -2.12 115.64 118.71 2wnl s THR 36 Ca -0.11 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 2wnl s THR 36 Cb -0.16 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 2wnl s THR 36 CO 0.06 0.37 0.34 -0.22 -0.69 0.00 0.00 174.62 174.48 2wnl s LEU 37 N 1.39 4.04 -0.17 4.42 2.96 -0.86 0.02 118.68 130.49 2wnl s LEU 37 Ca 0.04 0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 54.08 2wnl s LEU 37 Cb -0.15 -2.37 -0.22 0.00 0.50 0.00 0.00 46.19 43.95 2wnl s LEU 37 CO -0.06 -0.15 0.21 0.00 -1.32 0.00 0.00 176.35 175.04 2wnl n GLN 38 N 5.20 0.67 -3.63 1.98 6.02 -0.81 -3.29 117.38 123.52 2wnl n GLN 38 Ca -0.10 0.36 -0.12 0.00 -0.01 0.00 0.00 57.00 57.13 2wnl n GLN 38 Cb 0.51 -1.69 -0.07 0.00 1.02 0.00 0.00 30.24 30.01 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 -6.97 -0.65 -0.40 1.08 2.15 -1.00 0.66 116.67 111.54 2wnl s ASP 39 Ca -0.27 1.25 -0.15 0.00 0.43 0.00 0.00 52.55 53.81 2wnl s ASP 39 Cb 0.07 1.26 0.01 0.00 -0.30 0.00 0.00 42.92 43.97 2wnl s ASP 39 CO 0.67 -0.21 0.32 -0.63 -0.17 0.00 0.00 175.17 175.15 2wnl s ILE 40 N 0.37 5.23 -0.08 4.11 1.01 -1.26 -0.86 121.20 129.72 2wnl s ILE 40 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2wnl s ILE 40 Cb -0.05 -3.92 -0.25 0.00 0.01 0.00 0.00 42.46 38.25 2wnl s ILE 40 CO -0.02 -0.29 0.50 0.58 0.00 0.00 0.00 174.94 175.72 2wnl h VAL 41 N 5.63 0.73 -2.97 2.92 2.07 -1.63 -3.40 116.25 119.60 2wnl h VAL 41 Ca -0.28 -2.49 -0.14 0.00 0.82 0.00 0.00 66.70 64.61 2wnl h VAL 41 Cb 1.12 2.50 -0.24 0.00 -1.52 0.00 0.00 31.29 33.14 2wnl h VAL 41 CO 0.73 0.75 -0.34 -0.75 0.02 0.00 0.00 177.57 177.98 2wnl s LYS 42 N -2.58 0.40 -0.26 1.57 2.20 -1.24 -4.92 119.74 114.91 2wnl s LYS 42 Ca -0.15 0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 2wnl s LYS 42 Cb 0.07 0.19 0.08 0.00 -1.51 0.00 0.00 37.83 36.67 2wnl s LYS 42 CO 0.80 -0.06 0.08 0.00 -0.36 0.00 0.00 175.35 175.81 2wnl s ALA 43 N 0.04 1.17 -0.37 3.13 0.00 -1.26 -1.26 121.76 123.20 2wnl s ALA 43 Ca -0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.61 2wnl s ALA 43 Cb -0.03 -1.41 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 2wnl s ALA 43 CO 0.01 -1.48 0.29 0.34 0.00 0.00 0.00 175.76 174.92 2wnl s ASP 44 N 1.79 6.10 0.00 0.00 -1.08 0.31 -4.94 116.67 118.86 2wnl s ASP 44 Ca 0.05 -0.57 0.17 0.00 -0.52 0.00 0.00 52.55 51.69 2wnl s ASP 44 Cb -0.17 -2.16 0.50 0.00 -1.46 0.00 0.00 42.92 39.63 2wnl s ASP 44 CO -0.21 -0.34 1.40 -1.54 0.52 0.00 0.00 175.17 175.00 2wnl n SER 45 N 5.20 2.51 -0.03 -0.34 3.41 -1.26 -0.79 113.62 122.32 2wnl n SER 45 Ca -0.11 -1.94 0.03 0.00 -0.26 0.00 0.00 58.87 56.59 2wnl n SER 45 Cb 0.49 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 2wnl n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2wnl n SER 46 N 0.87 0.16 0.00 4.04 3.41 -1.26 -4.47 113.62 116.38 2wnl n SER 46 Ca 0.17 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2wnl n SER 46 Cb 0.42 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 2wnl n SER 46 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wnl n THR 47 N -2.53 0.00 -3.61 6.66 -2.24 -1.24 -5.04 114.28 106.27 2wnl n THR 47 Ca -0.14 -0.46 -0.20 0.00 -2.27 0.00 0.00 64.05 60.97 2wnl n THR 47 Cb 0.80 1.03 0.05 0.00 -2.10 0.00 0.00 70.33 70.11 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 -0.59 -1.90 -4.32 3.42 4.13 0.03 -4.95 115.26 111.09 2wnl n ASN 48 Ca 0.00 -0.73 -0.30 0.00 1.68 0.00 0.00 54.58 55.23 2wnl n ASN 48 Cb 0.01 -4.47 -0.15 0.00 -1.54 0.00 0.00 39.78 33.62 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2wnl s GLU 49 N -5.81 1.88 0.04 3.52 2.02 -0.91 -1.24 118.70 118.20 2wnl s GLU 49 Ca 0.06 -1.01 0.05 0.00 0.02 0.00 0.00 54.97 54.10 2wnl s GLU 49 Cb -0.03 -1.95 -0.02 0.00 0.10 0.00 0.00 34.13 32.23 2wnl s GLU 49 CO 0.78 0.52 -0.15 0.08 0.02 0.00 0.00 175.26 176.51 2wnl s VAL 50 N -0.71 1.20 -0.20 2.63 1.01 -0.66 -0.53 120.40 123.13 2wnl s VAL 50 Ca 0.11 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2wnl s VAL 50 Cb -0.10 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2wnl s VAL 50 CO 0.01 0.05 -0.08 -1.81 0.00 0.00 0.00 175.10 173.27 2wnl s ASP 51 N -1.10 4.04 -0.07 3.32 1.11 -0.39 -1.73 116.67 121.85 2wnl s ASP 51 Ca 0.03 -0.44 0.02 0.00 0.18 0.00 0.00 52.55 52.33 2wnl s ASP 51 Cb -0.08 -1.68 -0.03 0.00 1.07 0.00 0.00 42.92 42.21 2wnl s ASP 51 CO 0.01 -0.00 -0.09 -0.76 1.18 0.00 0.00 175.17 175.51 2wnl s LEU 52 N 1.35 3.01 -0.14 1.23 1.43 0.14 -1.42 118.68 124.29 2wnl s LEU 52 Ca 0.04 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2wnl s LEU 52 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 2wnl s LEU 52 CO -0.05 0.35 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2wnl s VAL 53 N -0.73 4.57 0.05 -1.59 1.01 -0.04 -0.46 120.40 123.21 2wnl s VAL 53 Ca 0.11 -0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.69 2wnl s VAL 53 Cb -0.11 -3.00 0.09 0.00 0.00 0.00 0.00 36.38 33.37 2wnl s VAL 53 CO 0.01 0.53 0.79 -0.72 0.00 0.00 0.00 175.10 175.72 2wnl s TYR 54 N -0.23 -0.41 -0.12 5.22 -0.85 -0.57 -1.92 117.35 118.46 2wnl s TYR 54 Ca 0.07 0.27 -0.08 0.00 -0.52 0.00 0.00 57.07 56.80 2wnl s TYR 54 Cb -0.12 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2wnl s TYR 54 CO 0.02 -0.64 0.17 0.71 -1.52 0.00 0.00 175.55 174.28 2wnl s TYR 55 N -3.27 3.59 -0.48 -3.49 4.12 0.10 -1.09 117.35 116.83 2wnl s TYR 55 Ca 0.03 0.56 0.01 0.00 0.02 0.00 0.00 57.07 57.69 2wnl s TYR 55 Cb -0.01 -2.01 0.13 0.00 -1.52 0.00 0.00 41.96 38.55 2wnl s TYR 55 CO -0.10 0.67 0.24 -2.00 0.02 0.00 0.00 175.55 174.38 2wnl s GLU 56 N -0.85 1.99 -0.16 -0.62 2.12 -0.75 -1.20 118.70 119.23 2wnl s GLU 56 Ca 0.15 -2.25 -0.29 0.00 0.36 0.00 0.00 54.97 52.94 2wnl s GLU 56 Cb -0.12 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.81 2wnl s GLU 56 CO 0.04 -1.07 1.35 -1.14 -0.54 0.00 0.00 175.26 173.89 2wnl s GLN 57 N 0.35 4.17 -0.15 4.30 0.74 0.04 -3.79 119.66 125.33 2wnl s GLN 57 Ca 0.14 1.71 0.02 0.00 0.05 0.00 0.00 55.36 57.27 2wnl s GLN 57 Cb -0.22 -3.82 0.01 0.00 1.10 0.00 0.00 33.01 30.07 2wnl s GLN 57 CO -0.04 -0.80 -0.20 -0.65 -0.55 0.00 0.00 175.29 173.06 2wnl s GLN 58 N 3.71 3.07 0.06 1.67 -0.21 0.67 -1.42 119.66 127.20 2wnl s GLN 58 Ca 0.59 -0.83 0.05 0.00 0.02 0.00 0.00 55.36 55.19 2wnl s GLN 58 Cb -0.23 -2.49 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 2wnl s GLN 58 CO 0.18 -0.02 -0.15 -0.98 -2.12 0.00 0.00 175.29 172.21 2wnl s ARG 59 N 0.84 0.90 0.38 2.91 1.70 -0.86 -0.42 118.95 124.40 2wnl s ARG 59 Ca -0.06 -0.86 -0.13 0.00 -0.47 0.00 0.00 55.73 54.21 2wnl s ARG 59 Cb -0.15 -0.93 0.04 0.00 -0.57 0.00 0.00 34.95 33.34 2wnl s ARG 59 CO -0.02 0.22 0.71 1.67 -1.08 0.00 0.00 175.30 176.81 2wnl s TRP 60 N -1.04 0.35 -0.08 5.89 -2.14 -0.69 -1.26 118.94 119.98 2wnl s TRP 60 Ca 0.00 -0.92 -0.05 0.00 2.66 0.00 0.00 56.10 57.80 2wnl s TRP 60 Cb -0.09 0.62 0.03 0.00 -3.10 0.00 0.00 33.47 30.93 2wnl s TRP 60 CO 0.02 -1.47 0.18 0.21 -2.66 0.00 0.00 176.95 173.23 2wnl s LYS 61 N -2.49 0.16 -0.04 3.25 2.20 -1.26 0.08 119.74 121.64 2wnl s LYS 61 Ca 0.19 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.23 2wnl s LYS 61 Cb -0.04 -0.07 -0.01 0.00 -1.51 0.00 0.00 37.83 36.20 2wnl s LYS 61 CO 0.14 -0.12 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.29 2wnl s LEU 62 N 0.85 1.98 0.34 5.43 1.43 -0.43 -4.94 118.68 123.36 2wnl s LEU 62 Ca -0.06 -0.41 0.27 0.00 -1.03 0.00 0.00 54.13 52.90 2wnl s LEU 62 Cb -0.08 -1.11 0.99 0.00 0.03 0.00 0.00 46.19 46.01 2wnl s LEU 62 CO -0.05 0.20 1.79 0.78 0.23 0.00 0.00 176.35 179.30 2wnl h ASN 63 N 6.09 0.00 0.82 2.29 2.35 -1.88 -2.64 115.58 122.61 2wnl h ASN 63 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2wnl h ASN 63 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2wnl h ASN 63 CO 0.48 0.00 -0.22 -1.54 -1.65 0.00 0.00 177.43 174.50 2wnl n SER 64 N -2.56 0.26 -1.16 5.81 3.41 -1.26 -3.44 113.62 114.68 2wnl n SER 64 Ca 0.03 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 2wnl n SER 64 Cb 0.32 -0.20 0.25 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.56 3.43 -4.80 1.04 4.77 -1.00 -4.99 117.00 113.90 2wnl n LEU 65 Ca 0.06 -1.55 -0.34 0.00 -0.03 0.00 0.00 56.01 54.15 2wnl n LEU 65 Cb 0.35 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 2wnl n LEU 65 CO 0.31 0.77 0.70 -0.04 -1.33 0.00 0.00 177.39 177.79 2wnl s MET 66 N -1.39 4.07 0.12 3.23 -1.94 -1.22 -4.01 119.30 118.15 2wnl s MET 66 Ca 0.41 1.32 -0.19 0.00 -1.71 0.00 0.00 55.69 55.51 2wnl s MET 66 Cb 0.23 -2.27 0.05 0.00 2.01 0.00 0.00 34.83 34.85 2wnl s MET 66 CO 0.31 -0.20 0.48 1.67 -0.01 0.00 0.00 175.02 177.28 2wnl s TRP 67 N -1.94 -0.35 -0.38 -0.03 -2.14 -0.65 -4.97 118.94 108.49 2wnl s TRP 67 Ca 0.62 0.12 -0.18 0.00 2.66 0.00 0.00 56.10 59.32 2wnl s TRP 67 Cb -0.16 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.59 2wnl s TRP 67 CO 0.20 -0.74 0.52 0.34 -2.66 0.00 0.00 176.95 174.61 2wnl s ASP 68 N -2.66 6.29 0.63 -2.66 3.68 -1.26 -4.68 116.67 116.02 2wnl s ASP 68 Ca 0.01 -0.19 0.35 0.00 2.13 0.00 0.00 52.55 54.86 2wnl s ASP 68 Cb 0.01 -2.27 1.92 0.00 -1.45 0.00 0.00 42.92 41.13 2wnl s ASP 68 CO -0.11 -0.54 2.08 -0.65 0.13 0.00 0.00 175.17 176.08 2wnl h PRO 69 N 8.57 0.00 0.00 4.34 0.11 -1.94 -0.78 132.00 142.30 2wnl h PRO 69 Ca -0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 2wnl h PRO 69 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2wnl h PRO 69 CO 0.79 0.00 -0.05 -0.91 -0.21 0.00 0.00 178.00 177.63 2wnl h ASN 70 N 0.00 0.00 -0.01 -2.05 2.35 -1.92 -0.62 115.58 113.33 2wnl h ASN 70 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wnl h ASN 70 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2wnl h ASN 70 CO 0.00 0.05 -0.10 -0.62 -1.65 0.00 0.00 177.43 175.10 2wnl n GLU 71 N -3.31 1.89 -2.71 0.81 1.02 -0.30 -4.49 120.64 113.55 2wnl n GLU 71 Ca -0.02 -1.46 -0.06 0.00 -0.02 0.00 0.00 57.16 55.61 2wnl n GLU 71 Cb 0.20 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.19 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 0.72 1.40 -3.30 -0.32 4.01 -0.89 -5.01 117.16 113.76 2wnl n TYR 72 Ca 0.14 -2.43 -0.21 0.00 -0.16 0.00 0.00 57.90 55.24 2wnl n TYR 72 Cb 0.51 -0.29 0.06 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.40 -0.39 2.41 2.72 0.00 -1.18 -2.58 105.19 105.79 2wnl n GLY 73 Ca 0.11 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.37 -5.02 -4.68 1.61 3.02 -0.29 -4.97 115.26 102.56 2wnl n ASN 74 Ca -0.03 0.22 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 2wnl n ASN 74 Cb 0.57 -4.06 -0.03 0.00 -0.61 0.00 0.00 39.78 35.66 2wnl n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wnl s ILE 75 N -2.73 4.33 -0.43 2.41 1.01 -1.06 -4.90 121.20 119.83 2wnl s ILE 75 Ca 0.00 1.64 0.12 0.00 0.00 0.00 0.00 60.65 62.42 2wnl s ILE 75 Cb 0.00 -4.06 -0.15 0.00 0.01 0.00 0.00 42.46 38.27 2wnl s ILE 75 CO 0.00 -0.02 0.46 0.35 0.00 0.00 0.00 174.94 175.73 2wnl n THR 76 N 4.69 0.00 -3.73 2.92 -2.24 -1.26 -4.34 114.28 110.31 2wnl n THR 76 Ca 0.11 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 2wnl n THR 76 Cb 0.46 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.47 -0.13 0.14 3.42 1.47 -1.26 -1.47 116.67 116.36 2wnl s ASP 77 Ca 0.02 -0.36 -0.16 0.00 1.18 0.00 0.00 52.55 53.23 2wnl s ASP 77 Cb 0.09 0.41 0.03 0.00 -0.34 0.00 0.00 42.92 43.11 2wnl s ASP 77 CO 0.50 -0.76 0.42 0.72 0.68 0.00 0.00 175.17 176.74 2wnl s PHE 78 N -2.97 -0.17 0.04 2.11 -0.12 -0.73 -4.99 117.98 111.15 2wnl s PHE 78 Ca 0.14 -0.15 -0.16 0.00 -0.05 0.00 0.00 56.93 56.70 2wnl s PHE 78 Cb 0.00 0.27 -0.06 0.00 -0.63 0.00 0.00 43.02 42.60 2wnl s PHE 78 CO 0.01 -0.74 0.48 1.03 -0.05 0.00 0.00 175.22 175.95 2wnl s ARG 79 N -3.82 4.03 0.09 1.99 3.00 -1.26 -1.67 118.95 121.30 2wnl s ARG 79 Ca 0.04 0.54 -0.12 0.00 0.00 0.00 0.00 55.73 56.19 2wnl s ARG 79 Cb 0.01 -3.20 0.02 0.00 0.00 0.00 0.00 34.95 31.78 2wnl s ARG 79 CO -0.10 0.65 0.29 -0.08 0.00 0.00 0.00 175.30 176.06 2wnl s THR 80 N -1.13 0.10 0.28 0.02 -1.32 -0.67 -5.00 115.64 107.93 2wnl s THR 80 Ca 0.27 -0.86 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 2wnl s THR 80 Cb -0.18 -1.19 -0.11 0.00 -1.51 0.00 0.00 72.50 69.51 2wnl s THR 80 CO 0.16 -0.48 1.50 -0.55 -2.21 0.00 0.00 174.62 173.04 2wnl s SER 81 N -2.67 6.52 0.60 8.08 0.15 -1.26 -0.67 113.70 124.44 2wnl s SER 81 Ca 0.02 2.81 0.35 0.00 0.70 0.00 0.00 55.95 59.83 2wnl s SER 81 Cb 0.03 -2.63 1.90 0.00 -1.71 0.00 0.00 66.02 63.61 2wnl s SER 81 CO -0.10 -0.79 2.23 0.00 1.20 0.00 0.00 173.24 175.78 2wnl h ALA 82 N 4.69 1.23 0.00 5.45 0.00 -1.04 -1.15 119.26 128.44 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 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wnl h ALA 82 CO 0.76 0.04 0.00 0.00 0.00 0.00 0.00 179.25 180.05 2wnl n ALA 83 N -2.20 1.74 0.48 0.00 0.00 -1.26 -2.89 120.51 116.37 2wnl n ALA 83 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2wnl n ALA 83 Cb 0.14 -1.39 0.40 0.00 0.00 0.00 0.00 19.45 18.60 2wnl n ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2wnl h ASP 84 N 0.00 0.00 -4.17 0.00 5.19 -1.58 -3.46 116.42 112.40 2wnl h ASP 84 Ca 0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 2wnl h ASP 84 Cb 0.40 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.77 2wnl h ASP 84 CO 0.00 0.00 -0.70 0.27 -3.12 0.00 0.00 179.24 175.69 2wnl s ILE 85 N -3.21 0.98 0.30 0.35 -4.36 -1.14 -5.04 121.20 109.09 2wnl s ILE 85 Ca 0.08 -2.02 -0.29 0.00 -0.26 0.00 0.00 60.65 58.16 2wnl s ILE 85 Cb 0.10 -1.92 -0.10 0.00 1.25 0.00 0.00 42.46 41.79 2wnl s ILE 85 CO 0.57 -0.68 1.31 0.86 0.24 0.00 0.00 174.94 177.24 2wnl s TRP 86 N -3.45 3.10 0.09 1.37 -0.00 -1.26 -4.97 118.94 113.81 2wnl s TRP 86 Ca 0.18 1.36 0.05 0.00 -0.00 0.00 0.00 56.10 57.70 2wnl s TRP 86 Cb 0.04 -3.66 -0.03 0.00 -0.00 0.00 0.00 33.47 29.82 2wnl s TRP 86 CO 0.01 -1.88 -0.14 0.95 -0.00 0.00 0.00 176.95 175.89 2wnl s THR 87 N -0.84 1.19 0.64 5.86 -4.23 -1.26 -5.11 115.64 111.89 2wnl s THR 87 Ca 0.51 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 59.41 2wnl s THR 87 Cb -0.39 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 2wnl s THR 87 CO 0.49 -0.29 1.13 -2.16 -0.54 0.00 0.00 174.62 173.25 2wnl s PRO 88 N -2.06 2.83 -0.95 3.99 0.04 -1.26 -4.96 135.00 132.64 2wnl s PRO 88 Ca 0.02 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2wnl s PRO 88 Cb -0.08 -1.95 0.30 0.00 0.04 0.00 0.00 34.50 32.81 2wnl s PRO 88 CO 0.02 -1.24 2.01 -0.40 0.04 0.00 0.00 177.00 177.44 2wnl n ASP 89 N -2.21 7.43 -4.67 6.66 5.75 -1.26 -4.98 116.55 123.26 2wnl n ASP 89 Ca 0.11 -3.67 -0.43 0.00 -0.01 0.00 0.00 54.79 50.79 2wnl n ASP 89 Cb 0.51 -1.15 -0.02 0.00 -1.03 0.00 0.00 41.12 39.43 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 -4.22 4.12 0.06 2.12 -1.09 -1.26 -2.42 121.20 118.51 2wnl s ILE 90 Ca 0.46 1.41 0.06 0.00 -2.23 0.00 0.00 60.65 60.35 2wnl s ILE 90 Cb 0.30 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 2wnl s ILE 90 CO -0.24 -0.07 -0.17 -0.89 -1.23 0.00 0.00 174.94 172.33 2wnl s THR 91 N 3.06 1.35 0.20 2.92 2.01 0.10 -4.89 115.64 120.39 2wnl s THR 91 Ca 0.58 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 2wnl s THR 91 Cb -0.25 -1.22 -0.08 0.00 0.01 0.00 0.00 72.50 70.96 2wnl s THR 91 CO 0.20 -0.00 1.17 0.00 -0.69 0.00 0.00 174.62 175.29 2wnl s ALA 92 N -0.97 3.42 -0.76 7.40 0.00 -1.26 -1.80 121.76 127.79 2wnl s ALA 92 Ca 0.03 0.92 0.25 0.00 0.00 0.00 0.00 51.96 53.16 2wnl s ALA 92 Cb -0.09 -3.39 0.42 0.00 0.00 0.00 0.00 23.12 20.06 2wnl s ALA 92 CO 0.02 -0.32 1.36 0.66 0.00 0.00 0.00 175.76 177.48 2wnl n TYR 93 N 2.30 0.37 -2.62 0.00 4.01 -0.37 -4.23 117.16 116.62 2wnl n TYR 93 Ca 0.03 0.11 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 2wnl n TYR 93 Cb 0.45 -0.53 0.04 0.00 -0.31 0.00 0.00 39.34 38.99 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 -1.91 2.42 -4.84 7.72 3.41 -1.26 -5.01 113.62 114.15 2wnl n SER 94 Ca 0.04 -2.64 -0.31 0.00 -0.26 0.00 0.00 58.87 55.70 2wnl n SER 94 Cb 0.41 -0.46 0.05 0.00 -0.26 0.00 0.00 64.21 63.94 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 -3.59 5.47 0.00 4.04 1.04 -1.26 -1.85 113.70 117.55 2wnl s SER 95 Ca 0.33 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2wnl s SER 95 Cb 0.38 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2wnl s SER 95 CO -0.02 -1.36 0.00 0.35 0.98 0.00 0.00 173.24 173.19 2wnl n THR 96 N -3.06 0.00 -4.24 2.02 -2.24 -0.20 -4.83 114.28 101.73 2wnl n THR 96 Ca 0.07 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2wnl n THR 96 Cb 0.55 0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 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 -1.28 1.04 0.41 -0.78 1.81 -1.25 -5.05 118.95 113.84 2wnl s ARG 97 Ca 0.00 -1.42 -0.26 0.00 -1.72 0.00 0.00 55.73 52.32 2wnl s ARG 97 Cb 0.00 -0.61 -0.09 0.00 -0.45 0.00 0.00 34.95 33.80 2wnl s ARG 97 CO 0.00 0.07 1.38 -2.14 -0.68 0.00 0.00 175.30 173.94 2wnl s PRO 98 N -3.66 3.94 0.11 3.54 0.02 -1.26 -4.63 135.00 133.05 2wnl s PRO 98 Ca 0.16 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 2wnl s PRO 98 Cb 0.02 -2.80 -0.06 0.00 0.02 0.00 0.00 34.50 31.68 2wnl s PRO 98 CO 0.00 -0.58 1.19 0.08 -0.33 0.00 0.00 177.00 177.36 2wnl s VAL 99 N -1.20 3.89 -0.21 3.83 1.01 -1.26 -4.85 120.40 121.61 2wnl s VAL 99 Ca 0.57 1.44 -0.08 0.00 0.00 0.00 0.00 61.98 63.90 2wnl s VAL 99 Cb -0.42 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2wnl s VAL 99 CO 0.55 0.16 0.09 -1.10 0.00 0.00 0.00 175.10 174.80 2wnl s GLN 100 N 0.57 3.93 -0.32 2.72 -0.21 -0.76 -4.96 119.66 120.63 2wnl s GLN 100 Ca 0.56 -0.35 -0.22 0.00 0.02 0.00 0.00 55.36 55.36 2wnl s GLN 100 Cb -0.30 -3.33 -0.00 0.00 1.00 0.00 0.00 33.01 30.38 2wnl s GLN 100 CO 0.32 0.11 0.73 0.08 -2.12 0.00 0.00 175.29 174.40 2wnl s VAL 101 N 0.85 4.84 -1.02 1.09 1.01 -1.26 -0.70 120.40 125.21 2wnl s VAL 101 Ca 0.05 1.01 0.24 0.00 0.00 0.00 0.00 61.98 63.28 2wnl s VAL 101 Cb -0.13 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2wnl s VAL 101 CO 0.03 -0.24 1.26 0.18 0.00 0.00 0.00 175.10 176.33 2wnl n LEU 102 N 6.12 0.66 -4.40 3.92 4.77 0.20 -4.97 117.00 123.31 2wnl n LEU 102 Ca 0.02 -0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.64 2wnl n LEU 102 Cb 0.48 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2wnl n LEU 102 CO 0.49 0.16 -0.36 -0.94 -1.33 0.00 0.00 177.39 175.41 2wnl s SER 103 N -2.99 2.52 0.82 -1.43 1.04 -1.23 -4.95 113.70 107.49 2wnl s SER 103 Ca 0.10 -1.18 -0.12 0.00 0.48 0.00 0.00 55.95 55.23 2wnl s SER 103 Cb 0.17 -0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.26 2wnl s SER 103 CO 0.75 -0.37 1.18 -2.84 0.98 0.00 0.00 173.24 172.94 2wnl s PRO 104 N -3.75 1.59 -0.68 4.02 0.02 -1.26 -4.82 135.00 130.12 2wnl s PRO 104 Ca 0.28 1.65 0.01 0.00 0.02 0.00 0.00 61.00 62.96 2wnl s PRO 104 Cb 0.04 -1.78 0.17 0.00 0.02 0.00 0.00 34.50 32.94 2wnl s PRO 104 CO 0.10 -2.23 0.48 -0.65 -0.33 0.00 0.00 177.00 174.38 2wnl s GLN 105 N -4.31 2.55 -0.08 5.54 -0.21 -1.26 -4.80 119.66 117.08 2wnl s GLN 105 Ca 0.70 -2.91 0.01 0.00 0.02 0.00 0.00 55.36 53.17 2wnl s GLN 105 Cb -0.26 -3.60 0.02 0.00 1.00 0.00 0.00 33.01 30.17 2wnl s GLN 105 CO 0.52 -1.20 -0.07 0.42 -2.12 0.00 0.00 175.29 172.84 2wnl s ILE 106 N -0.74 0.83 0.35 1.08 1.01 -1.26 -0.37 121.20 122.10 2wnl s ILE 106 Ca 0.21 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.65 2wnl s ILE 106 Cb -0.15 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 2wnl s ILE 106 CO -0.08 0.31 0.52 0.00 0.00 0.00 0.00 174.94 175.70 2wnl s ALA 107 N 1.27 3.89 -0.19 9.38 0.00 0.15 -4.59 121.76 131.67 2wnl s ALA 107 Ca -0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 2wnl s ALA 107 Cb -0.14 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.05 2wnl s ALA 107 CO -0.03 -0.06 -0.13 0.08 0.00 0.00 0.00 175.76 175.62 2wnl s VAL 108 N -2.28 2.65 -0.19 0.00 1.01 -0.36 -1.67 120.40 119.56 2wnl s VAL 108 Ca 0.42 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2wnl s VAL 108 Cb -0.10 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 2wnl s VAL 108 CO 0.34 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 175.27 2wnl s VAL 109 N 1.27 4.36 0.13 2.92 1.01 -0.67 -1.15 120.40 128.27 2wnl s VAL 109 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2wnl s VAL 109 Cb -0.14 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2wnl s VAL 109 CO -0.07 0.44 0.14 -0.89 0.00 0.00 0.00 175.10 174.72 2wnl s THR 110 N 0.70 4.66 0.65 3.92 2.01 -0.03 -1.77 115.64 125.78 2wnl s THR 110 Ca 0.02 -0.88 0.36 0.00 0.31 0.00 0.00 61.69 61.49 2wnl s THR 110 Cb -0.14 -3.33 0.37 0.00 0.01 0.00 0.00 72.50 69.42 2wnl s THR 110 CO 0.02 -0.01 2.14 1.12 -0.69 0.00 0.00 174.62 177.20 2wnl h HIS 111 N 2.72 0.00 0.00 4.92 2.07 -1.55 0.57 115.15 123.88 2wnl h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wnl h HIS 111 Cb 1.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.16 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 -3.17 0.00 0.00 3.10 5.75 -1.26 -1.63 116.55 119.33 2wnl n ASP 112 Ca -0.02 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 2wnl n ASP 112 Cb 0.24 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.84 0.54 3.78 6.12 0.00 0.20 -4.64 105.19 112.02 2wnl n GLY 113 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.92 7.15 -0.04 1.61 1.04 -1.20 -1.31 113.70 118.03 2wnl s SER 114 Ca 0.00 1.98 0.06 0.00 0.48 0.00 0.00 55.95 58.47 2wnl s SER 114 Cb 0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 2wnl s SER 114 CO 0.00 -0.21 -0.21 -0.69 0.98 0.00 0.00 173.24 173.11 2wnl s VAL 115 N -1.53 1.72 -0.06 5.02 1.01 0.11 -0.85 120.40 125.82 2wnl s VAL 115 Ca 0.51 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2wnl s VAL 115 Cb -0.22 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2wnl s VAL 115 CO 0.28 0.49 -0.16 -0.32 0.00 0.00 0.00 175.10 175.39 2wnl s MET 116 N -0.24 1.94 -0.04 2.72 1.75 -0.30 -1.70 119.30 123.44 2wnl s MET 116 Ca 0.01 -0.56 -0.01 0.00 -1.25 0.00 0.00 55.69 53.88 2wnl s MET 116 Cb -0.11 -1.60 0.03 0.00 2.84 0.00 0.00 34.83 35.99 2wnl s MET 116 CO 0.01 0.14 0.04 0.12 -0.65 0.00 0.00 175.02 174.68 2wnl s PHE 117 N 0.35 0.12 -0.51 4.11 5.36 0.45 -1.23 117.98 126.63 2wnl s PHE 117 Ca -0.11 0.17 0.06 0.00 -0.96 0.00 0.00 56.93 56.08 2wnl s PHE 117 Cb -0.14 -0.43 0.20 0.00 -0.34 0.00 0.00 43.02 42.31 2wnl s PHE 117 CO 0.04 -0.17 0.49 -0.89 -1.46 0.00 0.00 175.22 173.23 2wnl n ILE 118 N 4.87 0.14 -2.54 3.12 5.41 -1.26 -0.24 119.36 128.85 2wnl n ILE 118 Ca -0.13 -4.19 -0.39 0.00 1.00 0.00 0.00 62.75 59.04 2wnl n ILE 118 Cb 0.50 -1.92 -0.05 0.00 -0.71 0.00 0.00 39.64 37.46 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 -1.01 4.57 -0.06 0.38 0.04 -1.25 -4.78 135.00 132.90 2wnl s PRO 119 Ca 0.33 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 2wnl s PRO 119 Cb 0.07 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 2wnl s PRO 119 CO -0.14 0.19 0.34 0.00 0.04 0.00 0.00 177.00 177.43 2wnl s ALA 120 N -1.28 3.70 0.01 8.56 0.00 -1.26 -1.81 121.76 129.68 2wnl s ALA 120 Ca 0.47 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 2wnl s ALA 120 Cb -0.29 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 2wnl s ALA 120 CO 0.36 0.41 0.04 -0.65 0.00 0.00 0.00 175.76 175.93 2wnl s GLN 121 N -0.69 0.40 -0.16 0.00 -0.21 -0.25 -0.63 119.66 118.12 2wnl s GLN 121 Ca 0.21 -0.55 -0.05 0.00 0.02 0.00 0.00 55.36 54.99 2wnl s GLN 121 Cb -0.15 0.16 -0.03 0.00 1.00 0.00 0.00 33.01 33.98 2wnl s GLN 121 CO 0.10 -0.08 0.01 0.50 -2.12 0.00 0.00 175.29 173.69 2wnl s ARG 122 N -1.54 3.78 -0.03 2.91 3.52 0.12 -1.52 118.95 126.19 2wnl s ARG 122 Ca -0.14 -0.43 0.05 0.00 -0.13 0.00 0.00 55.73 55.07 2wnl s ARG 122 Cb -0.08 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 2wnl s ARG 122 CO -0.00 0.28 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.43 2wnl s LEU 123 N 0.29 1.95 -0.14 -0.88 2.96 0.39 -1.82 118.68 121.43 2wnl s LEU 123 Ca -0.00 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 2wnl s LEU 123 Cb -0.13 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 2wnl s LEU 123 CO 0.02 0.17 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.75 2wnl s SER 124 N -0.13 4.95 0.31 3.68 0.01 -1.26 -0.68 113.70 120.58 2wnl s SER 124 Ca 0.00 -0.05 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 2wnl s SER 124 Cb -0.09 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 2wnl s SER 124 CO 0.01 0.22 0.42 0.72 0.41 0.00 0.00 173.24 175.02 2wnl s PHE 125 N 0.07 1.01 -0.35 2.43 -0.12 -0.71 -1.03 117.98 119.28 2wnl s PHE 125 Ca 0.01 -1.24 -0.29 0.00 -0.05 0.00 0.00 56.93 55.36 2wnl s PHE 125 Cb -0.13 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.13 2wnl s PHE 125 CO 0.02 -1.03 1.06 -1.64 -0.05 0.00 0.00 175.22 173.59 2wnl s MET 126 N -3.38 3.99 -0.21 1.99 -1.94 -0.77 -1.66 119.30 117.31 2wnl s MET 126 Ca 0.31 0.93 -0.04 0.00 -1.71 0.00 0.00 55.69 55.18 2wnl s MET 126 Cb 0.01 -3.77 0.11 0.00 2.01 0.00 0.00 34.83 33.18 2wnl s MET 126 CO 0.18 -0.98 0.34 0.00 -0.01 0.00 0.00 175.02 174.55 2wnl s ASP 128 N 2.50 6.32 -0.01 0.00 2.15 -1.26 -3.43 116.67 122.93 2wnl s ASP 128 Ca 0.07 -0.32 0.01 0.00 0.43 0.00 0.00 52.55 52.75 2wnl s ASP 128 Cb -0.14 -2.49 0.06 0.00 -0.30 0.00 0.00 42.92 40.04 2wnl s ASP 128 CO -0.13 -1.45 0.69 -0.81 -0.17 0.00 0.00 175.17 173.30 2wnl n PRO 129 N 8.15 1.25 -1.67 4.34 -0.04 -1.26 -4.69 135.00 141.08 2wnl n PRO 129 Ca 0.03 -0.22 -0.47 0.00 -0.04 0.00 0.00 63.50 62.79 2wnl n PRO 129 Cb 0.48 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2wnl n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wnl n THR 130 N -0.04 0.26 0.00 0.52 -1.04 -1.26 -1.63 114.28 111.09 2wnl n THR 130 Ca 0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2wnl n THR 130 Cb 0.26 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.11 2wnl n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wnl n GLY 131 N 3.84 0.61 0.23 3.41 0.00 -1.26 -4.53 105.19 107.49 2wnl n GLY 131 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 1.29 -0.01 1.61 3.04 -1.52 -2.53 116.25 118.12 2wnl h VAL 132 Ca 0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 2wnl h VAL 132 Cb 0.00 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2wnl h VAL 132 CO 0.00 0.46 -0.07 -0.90 -1.01 0.00 0.00 177.57 176.05 2wnl n ASP 133 N -4.07 0.71 -4.80 3.17 5.75 -1.26 -1.17 116.55 114.89 2wnl n ASP 133 Ca -0.01 -0.96 -0.25 0.00 -0.01 0.00 0.00 54.79 53.56 2wnl n ASP 133 Cb 0.47 -0.02 0.08 0.00 -1.03 0.00 0.00 41.12 40.63 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 -2.24 4.62 0.19 -1.12 1.04 -0.97 -4.94 113.70 110.27 2wnl s SER 134 Ca 0.35 0.16 0.15 0.00 0.48 0.00 0.00 55.95 57.09 2wnl s SER 134 Cb 0.21 -0.73 -0.03 0.00 0.10 0.00 0.00 66.02 65.56 2wnl s SER 134 CO 0.42 -1.69 1.21 -0.08 0.98 0.00 0.00 173.24 174.07 2wnl h GLU 135 N -0.56 0.00 0.00 4.02 4.81 -1.88 -3.22 114.58 117.75 2wnl h GLU 135 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2wnl h GLU 135 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2wnl h GLU 135 CO 0.52 0.47 0.00 0.93 -0.73 0.00 0.00 179.01 180.20 2wnl h GLU 136 N 0.00 0.00 -0.14 1.92 4.39 -1.95 -3.50 114.58 115.30 2wnl h GLU 136 Ca -0.06 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2wnl h GLU 136 Cb 1.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2wnl h GLU 136 CO 0.06 0.00 -0.03 0.41 -1.16 0.00 0.00 179.01 178.30 2wnl n GLY 137 N 0.75 -1.50 3.90 -3.84 0.00 -1.09 -4.91 105.19 98.49 2wnl n GLY 137 Ca 0.03 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.35 3.81 -0.17 4.61 0.00 0.12 -4.43 121.76 124.36 2wnl s ALA 138 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2wnl s ALA 138 Cb 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.57 2wnl s ALA 138 CO 0.00 0.42 0.01 0.99 0.00 0.00 0.00 175.76 177.18 2wnl s THR 139 N -1.85 0.64 0.33 0.00 2.01 -1.26 -1.68 115.64 113.82 2wnl s THR 139 Ca 0.33 -0.48 0.07 0.00 0.31 0.00 0.00 61.69 61.92 2wnl s THR 139 Cb -0.10 -1.02 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 2wnl s THR 139 CO 0.27 -0.07 -0.04 0.00 -0.69 0.00 0.00 174.62 174.09 2wnl s ALA 141 N -2.90 -1.24 -0.09 0.00 0.00 -1.26 -1.16 121.76 115.11 2wnl s ALA 141 Ca 0.32 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 2wnl s ALA 141 Cb 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.15 2wnl s ALA 141 CO 0.15 -0.30 0.22 0.54 0.00 0.00 0.00 175.76 176.36 2wnl s VAL 142 N -1.09 -0.02 0.11 0.00 0.11 -0.77 -4.90 120.40 113.84 2wnl s VAL 142 Ca -0.11 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 2wnl s VAL 142 Cb -0.03 -0.33 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 2wnl s VAL 142 CO 0.06 0.03 0.39 -0.54 -3.33 0.00 0.00 175.10 171.71 2wnl s LYS 143 N 0.63 3.70 -0.03 1.54 1.02 -1.26 -0.51 119.74 124.83 2wnl s LYS 143 Ca -0.04 0.06 0.05 0.00 0.02 0.00 0.00 55.97 56.06 2wnl s LYS 143 Cb -0.06 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 2wnl s LYS 143 CO -0.04 0.51 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.68 2wnl s PHE 144 N -1.52 1.61 0.09 3.18 0.08 -0.53 -1.24 117.98 119.65 2wnl s PHE 144 Ca 0.37 -0.39 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 2wnl s PHE 144 Cb -0.13 -1.07 0.09 0.00 -0.57 0.00 0.00 43.02 41.34 2wnl s PHE 144 CO 0.21 -0.10 1.14 0.20 -0.10 0.00 0.00 175.22 176.56 2wnl s GLY 145 N -0.15 -0.09 0.40 4.36 0.00 -0.74 -0.65 107.32 110.45 2wnl s GLY 145 Ca 0.01 0.01 -0.26 0.00 0.00 0.00 0.00 44.72 44.48 2wnl s GLY 145 CO 0.01 2.52 1.36 -0.45 0.00 0.00 0.00 173.10 176.54 2wnl s SER 146 N -3.37 6.28 0.03 1.64 0.15 -1.26 0.01 113.70 117.18 2wnl s SER 146 Ca 0.21 2.78 -0.03 0.00 0.70 0.00 0.00 55.95 59.61 2wnl s SER 146 Cb -0.00 -2.65 -0.28 0.00 -1.71 0.00 0.00 66.02 61.38 2wnl s SER 146 CO 0.02 -0.89 0.97 -0.25 1.20 0.00 0.00 173.24 174.29 2wnl h TRP 147 N 2.74 0.45 -0.00 3.44 2.91 -1.83 -3.40 115.95 120.25 2wnl h TRP 147 Ca -0.50 -0.33 0.00 0.00 1.13 0.00 0.00 58.89 59.19 2wnl h TRP 147 Cb 1.25 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2wnl h TRP 147 CO 0.53 1.33 -0.12 1.33 -1.03 0.00 0.00 178.44 180.47 2wnl n VAL 148 N -3.47 0.00 -4.45 2.65 0.24 -1.26 -5.02 118.33 107.01 2wnl n VAL 148 Ca -0.13 -0.44 -0.34 0.00 -2.04 0.00 0.00 64.34 61.39 2wnl n VAL 148 Cb 1.03 1.03 -0.11 0.00 -1.47 0.00 0.00 33.84 34.32 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 -1.06 3.04 0.95 6.34 2.02 -1.26 -5.12 117.35 122.27 2wnl s TYR 149 Ca 0.02 -0.05 -0.16 0.00 -0.37 0.00 0.00 57.07 56.52 2wnl s TYR 149 Cb 0.03 -1.84 0.22 0.00 -0.40 0.00 0.00 41.96 39.97 2wnl s TYR 149 CO 0.12 0.23 1.30 -1.13 -1.57 0.00 0.00 175.55 174.50 2wnl n SER 150 N 2.73 0.12 0.30 2.29 3.41 -1.26 -4.68 113.62 116.53 2wnl n SER 150 Ca -0.18 -1.48 0.20 0.00 -0.26 0.00 0.00 58.87 57.14 2wnl n SER 150 Cb 0.53 -0.99 0.90 0.00 -0.26 0.00 0.00 64.21 64.39 2wnl n SER 150 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wnl h GLY 151 N -1.69 0.00 2.00 5.00 0.00 -1.13 -1.25 103.07 106.00 2wnl h GLY 151 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2wnl h GLY 151 CO 0.30 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.58 2wnl h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.94 -3.39 116.94 117.26 2wnl h PHE 152 Ca 0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 2wnl h PHE 152 Cb 0.30 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 2wnl h PHE 152 CO 0.00 0.00 -1.62 0.39 -0.60 0.00 0.00 178.31 176.48 2wnl n GLU 153 N -2.44 0.33 -4.28 1.51 4.71 -0.75 -4.28 120.64 115.43 2wnl n GLU 153 Ca 0.04 0.14 -0.33 0.00 -0.01 0.00 0.00 57.16 57.00 2wnl n GLU 153 Cb 0.36 -1.05 -0.16 0.00 -1.01 0.00 0.00 31.44 29.58 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 -2.33 2.26 -0.18 -3.67 1.01 -0.55 -1.07 121.20 116.66 2wnl s ILE 154 Ca -0.21 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 2wnl s ILE 154 Cb 0.07 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 2wnl s ILE 154 CO 0.27 0.53 0.11 -0.62 0.00 0.00 0.00 174.94 175.23 2wnl s ASP 155 N 1.14 6.07 0.46 3.58 -1.08 0.14 -4.03 116.67 122.94 2wnl s ASP 155 Ca 0.01 0.22 -0.04 0.00 -0.52 0.00 0.00 52.55 52.22 2wnl s ASP 155 Cb -0.14 -2.05 -0.03 0.00 -1.46 0.00 0.00 42.92 39.24 2wnl s ASP 155 CO -0.08 0.21 0.73 -0.76 0.52 0.00 0.00 175.17 175.79 2wnl s LEU 156 N 0.19 3.69 -0.05 -1.34 1.43 -1.26 -0.17 118.68 121.17 2wnl s LEU 156 Ca 0.08 0.77 -0.25 0.00 -1.03 0.00 0.00 54.13 53.70 2wnl s LEU 156 Cb -0.11 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.47 2wnl s LEU 156 CO -0.01 -0.55 0.54 -0.75 0.23 0.00 0.00 176.35 175.81 2wnl s LYS 157 N -4.65 0.90 0.29 1.70 2.47 -0.53 -4.84 119.74 115.07 2wnl s LYS 157 Ca 0.46 0.13 0.12 0.00 -1.56 0.00 0.00 55.97 55.11 2wnl s LYS 157 Cb -0.10 0.42 -0.05 0.00 -1.46 0.00 0.00 37.83 36.63 2wnl s LYS 157 CO 0.42 -0.26 -0.18 0.95 0.16 0.00 0.00 175.35 176.45 2wnl s THR 158 N -1.15 2.46 -0.12 3.43 -4.23 -1.26 -0.89 115.64 113.87 2wnl s THR 158 Ca -0.11 -2.36 0.19 0.00 -1.18 0.00 0.00 61.69 58.23 2wnl s THR 158 Cb -0.02 -2.38 -0.24 0.00 1.34 0.00 0.00 72.50 71.21 2wnl s THR 158 CO 0.07 -0.36 0.47 0.47 -0.54 0.00 0.00 174.62 174.73 2wnl n ASP 159 N -0.66 0.29 -3.92 3.99 8.00 -1.26 -4.98 116.55 118.00 2wnl n ASP 159 Ca -0.05 0.12 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 2wnl n ASP 159 Cb 0.61 1.07 -0.07 0.00 -0.02 0.00 0.00 41.12 42.71 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 -3.00 0.06 -1.54 -3.53 -1.32 -1.26 -5.04 115.64 100.01 2wnl s THR 160 Ca -0.07 -1.29 0.14 0.00 -1.21 0.00 0.00 61.69 59.26 2wnl s THR 160 Cb 0.10 -1.79 0.25 0.00 -1.51 0.00 0.00 72.50 69.55 2wnl s THR 160 CO 0.85 -0.28 1.13 -0.90 -2.21 0.00 0.00 174.62 173.21 2wnl n ASP 161 N -0.23 2.68 -4.66 8.08 3.85 -1.26 -4.87 116.55 120.14 2wnl n ASP 161 Ca -0.08 -1.79 -0.38 0.00 -0.71 0.00 0.00 54.79 51.83 2wnl n ASP 161 Cb 0.63 -0.14 -0.08 0.00 -1.35 0.00 0.00 41.12 40.17 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 2wnl s GLN 162 N -1.11 4.12 0.12 0.11 2.00 -1.26 -1.19 119.66 122.45 2wnl s GLN 162 Ca 0.23 0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 53.32 2wnl s GLN 162 Cb 0.14 -3.55 -0.06 0.00 0.80 0.00 0.00 33.01 30.34 2wnl s GLN 162 CO 0.19 -0.03 1.04 0.08 -0.50 0.00 0.00 175.29 176.07 2wnl s VAL 163 N 1.31 4.26 -0.29 1.34 1.01 -1.01 -4.87 120.40 122.14 2wnl s VAL 163 Ca 0.15 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.69 2wnl s VAL 163 Cb -0.14 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2wnl s VAL 163 CO 0.07 0.27 1.62 -0.62 0.00 0.00 0.00 175.10 176.44 2wnl s ASP 164 N 0.15 6.24 0.00 3.32 -1.08 -0.90 -4.86 116.67 119.54 2wnl s ASP 164 Ca 0.49 1.35 0.14 0.00 -0.52 0.00 0.00 52.55 54.02 2wnl s ASP 164 Cb -0.26 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.07 2wnl s ASP 164 CO 0.31 -1.42 1.33 0.18 0.52 0.00 0.00 175.17 176.10 2wnl n LEU 165 N 9.03 3.22 0.02 -1.34 4.77 -1.26 -2.02 117.00 129.42 2wnl n LEU 165 Ca 0.19 -1.97 0.09 0.00 -0.03 0.00 0.00 56.01 54.29 2wnl n LEU 165 Cb 0.46 -0.30 0.38 0.00 -2.33 0.00 0.00 43.42 41.63 2wnl n LEU 165 CO 0.67 0.80 0.78 -1.54 -1.33 0.00 0.00 177.39 176.77 2wnl n SER 166 N 0.87 0.11 -0.36 -1.43 3.41 -1.26 -2.06 113.62 112.91 2wnl n SER 166 Ca 0.15 0.53 0.04 0.00 -0.26 0.00 0.00 58.87 59.32 2wnl n SER 166 Cb 0.48 -0.55 0.07 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.62 2.17 -4.68 4.04 7.64 -1.26 -5.04 113.62 114.87 2wnl n SER 167 Ca 0.04 -1.70 -0.45 0.00 1.01 0.00 0.00 58.87 57.77 2wnl n SER 167 Cb 0.21 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.28 2wnl n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wnl n TYR 168 N 0.26 2.46 -1.68 1.43 9.36 -0.87 -4.70 117.16 123.42 2wnl n TYR 168 Ca 0.06 -0.03 -0.53 0.00 3.32 0.00 0.00 57.90 60.72 2wnl n TYR 168 Cb 0.29 -2.67 -0.06 0.00 -0.63 0.00 0.00 39.34 36.26 2wnl n TYR 168 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 2wnl n TYR 169 N 5.47 2.13 0.26 2.98 9.36 0.21 -4.81 117.16 132.76 2wnl n TYR 169 Ca 0.19 0.29 0.12 0.00 3.32 0.00 0.00 57.90 61.81 2wnl n TYR 169 Cb 0.33 -2.55 0.70 0.00 -0.63 0.00 0.00 39.34 37.19 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 8.56 1.36 -0.34 2.98 0.00 -1.89 -2.58 119.26 127.35 2wnl h ALA 170 Ca -0.45 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 2wnl h ALA 170 Cb 1.30 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 2wnl h ALA 170 CO 0.96 0.16 -0.03 0.43 0.00 0.00 0.00 179.25 180.77 2wnl n SER 171 N -3.76 2.88 -4.56 0.00 7.64 -1.26 -5.02 113.62 109.54 2wnl n SER 171 Ca -0.02 -3.55 -0.34 0.00 1.01 0.00 0.00 58.87 55.97 2wnl n SER 171 Cb 0.23 -0.61 0.12 0.00 -1.01 0.00 0.00 64.21 62.94 2wnl n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wnl n SER 172 N -0.97 -0.38 0.21 6.43 2.88 -0.98 -4.88 113.62 115.93 2wnl n SER 172 Ca 0.31 0.50 0.15 0.00 -1.33 0.00 0.00 58.87 58.50 2wnl n SER 172 Cb 1.01 -1.36 0.59 0.00 -0.75 0.00 0.00 64.21 63.70 2wnl n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wnl h LYS 173 N -1.06 0.00 -4.81 -1.46 1.79 -1.91 -3.43 116.57 105.68 2wnl h LYS 173 Ca -0.45 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.49 2wnl h LYS 173 Cb 1.30 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.63 2wnl h LYS 173 CO 0.41 0.00 -0.82 0.71 -1.08 0.00 0.00 179.45 178.67 2wnl s TYR 174 N -3.50 1.58 0.06 -1.35 2.02 -1.26 -2.24 117.35 112.66 2wnl s TYR 174 Ca 0.03 -0.54 -0.08 0.00 -0.37 0.00 0.00 57.07 56.10 2wnl s TYR 174 Cb 0.09 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.48 2wnl s TYR 174 CO 0.48 -0.25 0.34 -1.83 -1.57 0.00 0.00 175.55 172.73 2wnl s GLU 175 N 0.44 3.67 -0.25 -0.62 -1.05 -0.12 -4.81 118.70 115.95 2wnl s GLU 175 Ca -0.11 0.04 -0.18 0.00 -0.15 0.00 0.00 54.97 54.56 2wnl s GLU 175 Cb -0.14 -3.01 -0.03 0.00 -0.44 0.00 0.00 34.13 30.51 2wnl s GLU 175 CO 0.04 0.59 0.52 0.42 0.95 0.00 0.00 175.26 177.77 2wnl s ILE 176 N -1.39 5.07 0.02 1.83 -1.09 -1.26 -1.60 121.20 122.78 2wnl s ILE 176 Ca 0.32 0.91 -0.15 0.00 -2.23 0.00 0.00 60.65 59.50 2wnl s ILE 176 Cb -0.13 -3.84 -0.35 0.00 -1.58 0.00 0.00 42.46 36.56 2wnl s ILE 176 CO 0.18 0.10 0.96 -0.07 -1.23 0.00 0.00 174.94 174.88 2wnl h LEU 177 N 8.66 0.81 -7.00 2.97 3.38 -0.63 -3.48 115.31 120.02 2wnl h LEU 177 Ca -0.29 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.78 2wnl h LEU 177 Cb 1.14 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.42 2wnl h LEU 177 CO 0.72 1.71 0.35 -0.94 0.09 0.00 0.00 178.44 180.37 2wnl s SER 178 N -7.54 -0.53 -0.09 -0.43 1.04 -1.03 -4.98 113.70 100.14 2wnl s SER 178 Ca -0.10 0.62 -0.04 0.00 0.48 0.00 0.00 55.95 56.91 2wnl s SER 178 Cb 0.04 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.69 2wnl s SER 178 CO 0.93 -0.47 0.18 0.00 0.98 0.00 0.00 173.24 174.87 2wnl s ALA 179 N -1.05 -0.29 0.17 5.32 0.00 -1.26 -0.25 121.76 124.40 2wnl s ALA 179 Ca -0.06 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.66 2wnl s ALA 179 Cb -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2wnl s ALA 179 CO 0.06 -0.40 -0.13 0.95 0.00 0.00 0.00 175.76 176.24 2wnl s THR 180 N 1.82 1.46 -0.05 0.00 -4.23 -0.14 -2.41 115.64 112.09 2wnl s THR 180 Ca -0.03 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 2wnl s THR 180 Cb -0.12 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.85 2wnl s THR 180 CO -0.06 -0.63 0.03 0.00 -0.54 0.00 0.00 174.62 173.41 2wnl s GLN 181 N -3.56 0.27 -0.05 3.99 -2.07 -0.33 -1.71 119.66 116.20 2wnl s GLN 181 Ca 0.18 0.23 -0.02 0.00 -1.82 0.00 0.00 55.36 53.93 2wnl s GLN 181 Cb 0.00 -0.73 0.04 0.00 -1.09 0.00 0.00 33.01 31.23 2wnl s GLN 181 CO 0.04 -0.31 0.10 0.99 -1.32 0.00 0.00 175.29 174.79 2wnl s THR 182 N 2.01 -0.14 0.31 3.63 2.01 -0.53 -4.29 115.64 118.64 2wnl s THR 182 Ca 0.04 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 2wnl s THR 182 Cb -0.12 -0.20 -0.10 0.00 0.01 0.00 0.00 72.50 72.09 2wnl s THR 182 CO -0.04 0.14 1.22 -0.60 -0.69 0.00 0.00 174.62 174.64 2wnl s ARG 183 N 1.86 4.46 -0.02 4.92 3.52 -1.26 -1.44 118.95 130.99 2wnl s ARG 183 Ca -0.00 2.04 -0.01 0.00 -0.13 0.00 0.00 55.73 57.62 2wnl s ARG 183 Cb -0.12 -3.11 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 2wnl s ARG 183 CO -0.04 -0.03 0.04 -0.65 -0.81 0.00 0.00 175.30 173.81 2wnl s GLN 184 N -1.67 0.05 -0.10 5.12 -0.21 -0.23 -4.95 119.66 117.67 2wnl s GLN 184 Ca 0.47 0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.95 2wnl s GLN 184 Cb -0.36 0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.65 2wnl s GLN 184 CO 0.48 -0.01 -0.18 0.08 -2.12 0.00 0.00 175.29 173.53 2wnl s VAL 185 N 0.08 2.65 -0.04 1.09 1.01 -1.26 -2.23 120.40 121.69 2wnl s VAL 185 Ca -0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 2wnl s VAL 185 Cb -0.01 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2wnl s VAL 185 CO -0.00 0.55 0.11 -1.10 0.00 0.00 0.00 175.10 174.66 2wnl s GLN 186 N 0.10 0.10 0.24 2.72 -0.21 -0.72 -4.98 119.66 116.91 2wnl s GLN 186 Ca -0.08 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.46 2wnl s GLN 186 Cb -0.15 -0.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.79 2wnl s GLN 186 CO 0.05 -0.06 0.48 -1.01 -2.12 0.00 0.00 175.29 172.64 2wnl s HIS 187 N 0.38 3.47 0.05 0.91 3.76 -1.26 -1.20 115.29 121.40 2wnl s HIS 187 Ca -0.03 0.55 0.08 0.00 -0.15 0.00 0.00 55.06 55.52 2wnl s HIS 187 Cb -0.04 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 2wnl s HIS 187 CO -0.01 0.27 -0.24 0.71 -0.85 0.00 0.00 174.74 174.62 2wnl s TYR 188 N -1.96 2.08 0.44 1.40 4.12 -1.25 -5.00 117.35 117.18 2wnl s TYR 188 Ca 0.42 -0.39 0.19 0.00 0.02 0.00 0.00 57.07 57.31 2wnl s TYR 188 Cb -0.11 -1.24 1.13 0.00 -1.52 0.00 0.00 41.96 40.22 2wnl s TYR 188 CO 0.29 0.12 1.87 0.77 0.02 0.00 0.00 175.55 178.62 2wnl h SER 189 N 4.79 0.35 0.49 2.29 0.02 -1.99 -2.00 113.55 117.50 2wnl h SER 189 Ca -0.45 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 2wnl h SER 189 Cb 1.15 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 2wnl h SER 189 CO 0.43 0.15 -0.33 0.00 -1.14 0.00 0.00 176.83 175.94 2wnl n PRO 192 N 4.01 0.19 -2.08 0.00 -0.04 -1.26 -3.93 135.00 131.89 2wnl n PRO 192 Ca -0.22 0.23 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 2wnl n PRO 192 Cb 0.55 -1.75 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2wnl n PRO 192 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wnl s GLU 193 N -3.13 3.62 0.60 0.54 8.01 -1.26 -4.98 118.70 122.10 2wnl s GLU 193 Ca 0.09 1.98 -0.10 0.00 0.01 0.00 0.00 54.97 56.96 2wnl s GLU 193 Cb 0.12 -2.43 -0.03 0.00 -4.31 0.00 0.00 34.13 27.48 2wnl s GLU 193 CO 0.52 -0.73 0.99 -1.25 0.01 0.00 0.00 175.26 174.80 2wnl s PRO 194 N -2.67 3.50 0.05 0.39 0.04 -1.26 -4.46 135.00 130.59 2wnl s PRO 194 Ca 0.65 0.60 0.05 0.00 0.04 0.00 0.00 61.00 62.33 2wnl s PRO 194 Cb -0.34 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2wnl s PRO 194 CO 0.41 -0.55 -0.13 0.71 0.04 0.00 0.00 177.00 177.48 2wnl s TYR 195 N -3.11 1.13 -0.05 0.56 2.02 -0.34 -0.85 117.35 116.71 2wnl s TYR 195 Ca 0.54 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 2wnl s TYR 195 Cb -0.11 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 40.81 2wnl s TYR 195 CO 0.52 0.03 -0.06 0.42 -1.57 0.00 0.00 175.55 174.89 2wnl s ILE 196 N -1.09 0.68 0.17 2.71 1.01 -1.26 -1.76 121.20 121.66 2wnl s ILE 196 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2wnl s ILE 196 Cb -0.09 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2wnl s ILE 196 CO 0.02 0.25 0.04 1.51 0.00 0.00 0.00 174.94 176.76 2wnl s ASP 197 N 0.77 0.78 -0.32 3.58 -4.77 -0.95 -4.44 116.67 111.33 2wnl s ASP 197 Ca -0.12 -1.23 -0.01 0.00 -3.30 0.00 0.00 52.55 47.89 2wnl s ASP 197 Cb -0.14 0.21 0.06 0.00 -1.09 0.00 0.00 42.92 41.96 2wnl s ASP 197 CO 0.01 -0.67 0.03 -0.69 0.70 0.00 0.00 175.17 174.55 2wnl s VAL 198 N -3.86 2.97 -0.05 2.11 1.01 0.18 -1.07 120.40 121.69 2wnl s VAL 198 Ca 0.27 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 2wnl s VAL 198 Cb 0.07 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2wnl s VAL 198 CO 0.05 -0.22 0.95 0.21 0.00 0.00 0.00 175.10 176.09 2wnl s ASN 199 N 1.32 7.26 -0.36 3.32 2.47 -0.52 -1.46 114.94 126.97 2wnl s ASN 199 Ca -0.02 1.54 -0.05 0.00 0.42 0.00 0.00 52.86 54.74 2wnl s ASN 199 Cb -0.20 -2.54 0.07 0.00 -1.45 0.00 0.00 41.25 37.12 2wnl s ASN 199 CO -0.02 -0.31 0.14 -0.22 -3.72 0.00 0.00 177.10 172.97 2wnl s LEU 200 N 1.38 4.62 -0.14 3.21 2.96 0.33 -1.45 118.68 129.59 2wnl s LEU 200 Ca 0.48 -1.45 -0.06 0.00 -0.22 0.00 0.00 54.13 52.89 2wnl s LEU 200 Cb -0.20 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2wnl s LEU 200 CO 0.23 -0.41 0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 2wnl s VAL 201 N 1.32 4.86 -0.05 1.68 1.01 -0.69 -1.84 120.40 126.69 2wnl s VAL 201 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.98 2wnl s VAL 201 Cb -0.21 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.05 2wnl s VAL 201 CO 0.00 0.54 -0.05 -0.69 0.00 0.00 0.00 175.10 174.90 2wnl s VAL 202 N -0.32 0.61 -0.10 2.92 1.01 -0.31 -0.97 120.40 123.24 2wnl s VAL 202 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2wnl s VAL 202 Cb -0.12 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2wnl s VAL 202 CO 0.02 0.25 -0.11 -0.54 0.00 0.00 0.00 175.10 174.71 2wnl s LYS 203 N 0.98 3.10 0.21 2.72 1.02 0.65 -2.04 119.74 126.38 2wnl s LYS 203 Ca -0.10 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.10 2wnl s LYS 203 Cb -0.14 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.58 2wnl s LYS 203 CO -0.00 0.39 0.48 -0.59 -0.92 0.00 0.00 175.35 174.71 2wnl s PHE 204 N -0.11 0.11 0.22 3.18 -0.12 -0.68 0.16 117.98 120.75 2wnl s PHE 204 Ca -0.01 -0.48 -0.15 0.00 -0.05 0.00 0.00 56.93 56.24 2wnl s PHE 204 Cb -0.14 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.54 2wnl s PHE 204 CO 0.03 -0.93 0.51 -0.98 -0.05 0.00 0.00 175.22 173.80 2wnl s ARG 205 N -3.94 1.46 0.10 1.99 1.70 -0.63 0.13 118.95 119.77 2wnl s ARG 205 Ca 0.15 -1.04 -0.31 0.00 -0.47 0.00 0.00 55.73 54.06 2wnl s ARG 205 Cb -0.01 0.50 -0.09 0.00 -0.57 0.00 0.00 34.95 34.79 2wnl s ARG 205 CO 0.02 -0.62 1.65 -1.21 -1.08 0.00 0.00 175.30 174.06 2wnl s GLU 206 N -3.94 4.20 0.27 3.89 2.02 -0.31 -0.95 118.70 123.88 2wnl s GLU 206 Ca 0.14 2.37 0.00 0.00 0.02 0.00 0.00 54.97 57.50 2wnl s GLU 206 Cb -0.01 -3.48 0.38 0.00 0.10 0.00 0.00 34.13 31.12 2wnl s GLU 206 CO 0.03 -0.71 1.75 -0.09 0.02 0.00 0.00 175.26 176.25 2wnl h ARG 207 N 7.93 0.64 0.00 1.61 1.12 -1.76 -3.45 114.38 120.48 2wnl h ARG 207 Ca -0.43 -0.20 0.00 0.00 -1.11 0.00 0.00 59.98 58.24 2wnl h ARG 207 Cb 1.20 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2wnl h ARG 207 CO 0.93 0.74 0.00 0.54 -3.11 0.00 0.00 179.97 179.07