#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnl h LYS -1 N 0.00 0.21 -0.89 -1.24 1.57 -2.05 -1.58 116.57 112.59 2wnl h LYS -1 Ca 0.00 -0.21 0.16 0.00 -1.87 0.00 0.00 60.65 58.73 2wnl h LYS -1 Cb 0.00 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 2wnl h LYS -1 CO 0.00 0.93 0.58 -0.07 -0.57 0.00 0.00 179.45 180.31 2wnl h LEU 0 N -0.43 0.57 0.28 2.94 3.38 -2.05 0.45 115.31 120.45 2wnl h LEU 0 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wnl h LEU 0 Cb 1.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2wnl h LEU 0 CO 0.06 0.26 -0.14 -0.74 0.09 0.00 0.00 178.44 177.97 2wnl h HIS 1 N 0.59 -0.35 -0.34 1.13 2.76 -1.96 0.62 115.15 117.60 2wnl h HIS 1 Ca 0.46 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.59 2wnl h HIS 1 Cb 0.88 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 2wnl h HIS 1 CO -0.00 -0.04 0.09 0.66 -1.30 0.00 0.00 177.93 177.34 2wnl h SER 2 N -0.68 0.44 -0.52 3.26 4.64 -1.06 -2.22 113.55 117.41 2wnl h SER 2 Ca -0.04 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.14 2wnl h SER 2 Cb 0.47 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2wnl h SER 2 CO 0.06 0.44 -0.02 1.56 -0.87 0.00 0.00 176.83 178.00 2wnl h GLN 3 N 0.48 0.93 -0.34 4.77 4.20 -0.82 -3.11 115.11 121.23 2wnl h GLN 3 Ca 0.11 -0.31 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 2wnl h GLN 3 Cb 0.17 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2wnl h GLN 3 CO -0.01 0.96 -0.18 0.00 -0.67 0.00 0.00 178.83 178.94 2wnl h ALA 4 N 0.94 1.06 -0.43 3.87 0.00 -0.28 -1.83 119.26 122.60 2wnl h ALA 4 Ca 0.14 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2wnl h ALA 4 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wnl h ALA 4 CO 0.03 0.57 -0.12 -0.91 0.00 0.00 0.00 179.25 178.82 2wnl h ASN 5 N 0.55 0.77 -0.04 0.00 2.35 -1.48 -0.92 115.58 116.81 2wnl h ASN 5 Ca 0.09 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 2wnl h ASN 5 Cb 0.62 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2wnl h ASN 5 CO 0.04 0.91 -0.15 0.25 -1.65 0.00 0.00 177.43 176.83 2wnl h LEU 6 N 0.70 0.21 -1.73 1.61 5.85 -1.43 0.29 115.31 120.81 2wnl h LEU 6 Ca 0.12 -0.63 0.07 0.00 0.84 0.00 0.00 57.88 58.27 2wnl h LEU 6 Cb 0.60 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2wnl h LEU 6 CO 0.04 0.80 0.30 0.24 -0.34 0.00 0.00 178.44 179.48 2wnl h MET 7 N -0.38 0.32 0.05 1.25 2.86 -1.34 0.22 114.93 117.91 2wnl h MET 7 Ca -0.01 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 2wnl h MET 7 Cb 0.79 -0.07 0.02 0.00 0.06 0.00 0.00 31.60 32.39 2wnl h MET 7 CO 0.03 0.21 -0.78 -0.09 1.06 0.00 0.00 176.91 177.35 2wnl h ARG 8 N 0.33 0.45 -0.11 1.72 2.43 -1.02 -2.26 114.38 115.92 2wnl h ARG 8 Ca 0.20 -0.54 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 2wnl h ARG 8 Cb 0.36 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2wnl h ARG 8 CO -0.04 1.19 0.02 1.25 -1.51 0.00 0.00 179.97 180.88 2wnl h LEU 9 N -0.06 0.00 -0.89 3.80 5.85 0.10 -1.24 115.31 122.86 2wnl h LEU 9 Ca -0.11 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2wnl h LEU 9 Cb 1.50 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 2wnl h LEU 9 CO 0.15 0.02 0.01 0.11 -0.34 0.00 0.00 178.44 178.39 2wnl h LYS 10 N 0.07 0.82 -0.42 1.25 1.57 -0.67 -2.63 116.57 116.55 2wnl h LYS 10 Ca 0.05 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 2wnl h LYS 10 Cb 0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2wnl h LYS 10 CO -0.07 0.82 -0.24 1.03 -0.57 0.00 0.00 179.45 180.43 2wnl h SER 11 N 0.77 0.89 -0.59 0.86 0.87 -1.17 -1.54 113.55 113.64 2wnl h SER 11 Ca 0.15 -0.34 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2wnl h SER 11 Cb 0.45 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2wnl h SER 11 CO 0.02 1.09 0.23 0.44 -0.53 0.00 0.00 176.83 178.08 2wnl h ASP 12 N 0.75 0.83 -0.32 6.23 3.45 -1.14 -1.01 116.42 125.20 2wnl h ASP 12 Ca 0.10 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.28 2wnl h ASP 12 Cb 0.79 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 2wnl h ASP 12 CO 0.07 0.78 -0.18 -0.07 -1.57 0.00 0.00 179.24 178.26 2wnl h LEU 13 N 0.82 0.72 0.00 1.55 3.38 -1.33 -3.31 115.31 117.14 2wnl h LEU 13 Ca 0.20 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2wnl h LEU 13 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2wnl h LEU 13 CO -0.01 0.98 -0.81 0.49 0.09 0.00 0.00 178.44 179.18 2wnl n PHE 14 N -4.33 0.46 0.09 1.13 0.99 -0.59 -4.30 117.46 110.91 2wnl n PHE 14 Ca -0.03 0.20 -0.07 0.00 -0.00 0.00 0.00 57.45 57.56 2wnl n PHE 14 Cb 0.41 -0.65 0.01 0.00 -1.00 0.00 0.00 39.48 38.24 2wnl n PHE 14 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2wnl h ASN 15 N -1.00 0.15 -0.64 4.37 4.21 -1.39 -3.17 115.58 118.10 2wnl h ASN 15 Ca -0.02 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.37 2wnl h ASN 15 Cb 0.79 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.94 2wnl h ASN 15 CO -0.01 0.92 0.00 0.54 -1.29 0.00 0.00 177.43 177.59 2wnl n ARG 16 N -3.62 3.60 -4.12 0.81 1.74 -0.88 -4.99 116.66 109.19 2wnl n ARG 16 Ca -0.02 -2.85 -0.11 0.00 -0.77 0.00 0.00 57.85 54.10 2wnl n ARG 16 Cb 0.79 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 2wnl n ARG 16 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wnl s SER 17 N -0.95 0.96 0.04 0.55 0.01 -1.20 -4.98 113.70 108.13 2wnl s SER 17 Ca 0.50 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 2wnl s SER 17 Cb 0.32 0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.55 2wnl s SER 17 CO 0.25 -0.39 1.77 -2.84 0.41 0.00 0.00 173.24 172.45 2wnl s PRO 18 N -3.02 4.17 0.60 12.44 0.02 -1.26 -4.90 135.00 143.05 2wnl s PRO 18 Ca 0.03 2.43 -0.18 0.00 0.02 0.00 0.00 61.00 63.30 2wnl s PRO 18 Cb -0.00 -3.85 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 2wnl s PRO 18 CO -0.03 -0.84 1.18 -1.64 -0.33 0.00 0.00 177.00 175.33 2wnl s MET 19 N 3.49 2.97 -0.17 5.54 -1.94 -1.26 -4.98 119.30 122.95 2wnl s MET 19 Ca 0.79 1.72 -0.25 0.00 -1.71 0.00 0.00 55.69 56.25 2wnl s MET 19 Cb -0.40 -1.94 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 2wnl s MET 19 CO 0.35 -1.18 0.80 -0.47 -0.01 0.00 0.00 175.02 174.52 2wnl s TYR 20 N -1.75 3.42 -1.23 -0.03 6.14 -1.26 -4.96 117.35 117.68 2wnl s TYR 20 Ca 0.75 1.22 0.28 0.00 0.64 0.00 0.00 57.07 59.95 2wnl s TYR 20 Cb -0.28 -2.98 1.02 0.00 0.42 0.00 0.00 41.96 40.14 2wnl s TYR 20 CO 0.33 -0.23 1.75 -0.35 0.64 0.00 0.00 175.55 177.70 2wnl n PRO 21 N 5.19 0.24 0.00 4.97 -0.04 -1.26 -4.81 135.00 139.29 2wnl n PRO 21 Ca 0.04 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2wnl n PRO 21 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.42 1.62 3.77 0.55 0.00 -1.26 -5.06 105.19 106.23 2wnl n GLY 22 Ca 0.09 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.60 4.20 0.54 1.61 0.04 -1.26 -5.04 135.00 133.49 2wnl s PRO 23 Ca 0.00 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.70 2wnl s PRO 23 Cb 0.00 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.89 2wnl s PRO 23 CO 0.00 -0.13 0.21 0.95 0.04 0.00 0.00 177.00 178.07 2wnl s THR 24 N -1.52 1.32 0.29 1.26 -4.23 -1.10 -4.94 115.64 106.71 2wnl s THR 24 Ca 0.56 -1.74 0.12 0.00 -1.18 0.00 0.00 61.69 59.45 2wnl s THR 24 Cb -0.26 -2.06 0.03 0.00 1.34 0.00 0.00 72.50 71.55 2wnl s THR 24 CO 0.32 0.00 1.68 0.11 -0.54 0.00 0.00 174.62 176.20 2wnl h LYS 25 N 1.00 0.00 -0.09 3.99 1.57 -1.93 -2.42 116.57 118.69 2wnl h LYS 25 Ca -0.40 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.27 2wnl h LYS 25 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2wnl h LYS 25 CO 0.65 0.52 -0.43 -0.44 -0.57 0.00 0.00 179.45 179.18 2wnl h ASP 26 N 0.00 0.21 -2.02 0.86 3.32 -1.96 -3.38 116.42 113.45 2wnl h ASP 26 Ca -0.01 -0.09 -0.55 0.00 0.02 0.00 0.00 57.03 56.41 2wnl h ASP 26 Cb 0.96 -0.06 -0.39 0.00 0.22 0.00 0.00 39.33 40.05 2wnl h ASP 26 CO 0.07 0.62 -1.09 -0.67 -1.72 0.00 0.00 179.24 176.45 2wnl n ASP 27 N -4.01 0.56 -4.76 6.45 4.64 -1.13 -5.12 116.55 113.18 2wnl n ASP 27 Ca -0.02 -2.81 -0.32 0.00 -1.38 0.00 0.00 54.79 50.27 2wnl n ASP 27 Cb 0.49 -0.64 0.08 0.00 -1.04 0.00 0.00 41.12 40.01 2wnl n ASP 27 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2wnl s PRO 28 N -1.51 2.42 -0.03 -0.67 0.04 -0.93 -2.72 135.00 131.61 2wnl s PRO 28 Ca 0.36 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2wnl s PRO 28 Cb 0.20 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 2wnl s PRO 28 CO -0.10 -1.54 -0.19 -1.17 0.04 0.00 0.00 177.00 174.03 2wnl s LEU 29 N -5.38 1.99 -0.36 -3.56 2.96 -0.45 -4.94 118.68 108.95 2wnl s LEU 29 Ca 0.66 -0.37 -0.16 0.00 -0.22 0.00 0.00 54.13 54.04 2wnl s LEU 29 Cb -0.20 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 2wnl s LEU 29 CO 0.48 0.21 0.38 -0.89 -1.32 0.00 0.00 176.35 175.21 2wnl s THR 30 N -0.24 5.15 -0.15 3.68 2.01 -1.26 -0.82 115.64 124.02 2wnl s THR 30 Ca 0.02 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 2wnl s THR 30 Cb -0.10 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2wnl s THR 30 CO 0.01 -0.15 0.07 -0.69 -0.69 0.00 0.00 174.62 173.16 2wnl s VAL 31 N 2.04 4.84 -0.11 3.82 1.01 -0.66 -4.50 120.40 126.85 2wnl s VAL 31 Ca 0.12 -0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 2wnl s VAL 31 Cb -0.17 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2wnl s VAL 31 CO 0.12 0.52 -0.03 -0.89 0.00 0.00 0.00 175.10 174.83 2wnl s THR 32 N -0.17 4.05 0.11 3.92 2.01 -0.21 -1.65 115.64 123.70 2wnl s THR 32 Ca 0.08 -0.33 0.10 0.00 0.31 0.00 0.00 61.69 61.84 2wnl s THR 32 Cb -0.12 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 2wnl s THR 32 CO 0.01 0.56 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.50 2wnl s LEU 33 N -0.44 2.29 -0.22 4.42 1.43 0.03 -1.29 118.68 124.90 2wnl s LEU 33 Ca 0.07 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.28 2wnl s LEU 33 Cb -0.12 -1.09 0.06 0.00 0.03 0.00 0.00 46.19 45.07 2wnl s LEU 33 CO 0.02 0.14 0.59 -0.83 0.23 0.00 0.00 176.35 176.50 2wnl s GLY 34 N -1.87 -0.45 -0.04 -3.19 0.00 -0.76 -4.28 107.32 96.73 2wnl s GLY 34 Ca 0.11 1.71 -0.00 0.00 0.00 0.00 0.00 44.72 46.53 2wnl s GLY 34 CO 0.05 1.51 0.00 -1.36 0.00 0.00 0.00 173.10 173.30 2wnl s PHE 35 N 0.46 3.12 -0.32 1.90 0.08 -1.26 -0.49 117.98 121.46 2wnl s PHE 35 Ca -0.01 0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.21 2wnl s PHE 35 Cb -0.04 -1.72 0.09 0.00 -0.57 0.00 0.00 43.02 40.78 2wnl s PHE 35 CO -0.01 0.47 0.03 0.99 -0.10 0.00 0.00 175.22 176.59 2wnl s THR 36 N -1.00 2.14 -0.10 0.64 2.01 -0.42 -1.75 115.64 117.15 2wnl s THR 36 Ca 0.17 -2.15 -0.30 0.00 0.31 0.00 0.00 61.69 59.72 2wnl s THR 36 Cb -0.11 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2wnl s THR 36 CO 0.07 -0.52 1.24 -0.22 -0.69 0.00 0.00 174.62 174.50 2wnl s LEU 37 N 0.99 4.24 -0.26 4.42 2.96 -0.96 -2.02 118.68 128.05 2wnl s LEU 37 Ca 0.08 1.78 -0.03 0.00 -0.22 0.00 0.00 54.13 55.74 2wnl s LEU 37 Cb -0.19 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.79 2wnl s LEU 37 CO -0.09 -0.67 -0.25 0.00 -1.32 0.00 0.00 176.35 174.02 2wnl n GLN 38 N 5.86 0.64 -3.61 1.98 6.02 -0.11 -3.50 117.38 124.66 2wnl n GLN 38 Ca 0.12 0.19 -0.16 0.00 -0.01 0.00 0.00 57.00 57.14 2wnl n GLN 38 Cb 0.45 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.13 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 -6.80 -0.62 -0.48 1.08 -1.08 -0.70 0.61 116.67 108.67 2wnl s ASP 39 Ca -0.36 0.94 -0.16 0.00 -0.52 0.00 0.00 52.55 52.46 2wnl s ASP 39 Cb 0.11 0.90 0.08 0.00 -1.46 0.00 0.00 42.92 42.54 2wnl s ASP 39 CO 0.57 -0.41 0.42 -0.63 0.52 0.00 0.00 175.17 175.65 2wnl s ILE 40 N -0.46 5.21 0.09 4.11 1.01 -1.26 -0.78 121.20 129.12 2wnl s ILE 40 Ca -0.06 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 59.40 2wnl s ILE 40 Cb -0.03 -4.17 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 2wnl s ILE 40 CO 0.05 -0.63 1.22 0.58 0.00 0.00 0.00 174.94 176.16 2wnl h VAL 41 N 5.78 1.34 -1.76 2.92 2.07 -1.59 -3.41 116.25 121.59 2wnl h VAL 41 Ca -0.29 -2.41 0.04 0.00 0.82 0.00 0.00 66.70 64.86 2wnl h VAL 41 Cb 1.11 2.48 -0.24 0.00 -1.52 0.00 0.00 31.29 33.12 2wnl h VAL 41 CO 0.91 0.73 0.28 -0.75 0.02 0.00 0.00 177.57 178.76 2wnl s LYS 42 N -3.21 0.61 -0.18 1.57 2.20 -1.22 -4.92 119.74 114.59 2wnl s LYS 42 Ca -0.08 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 2wnl s LYS 42 Cb 0.07 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.67 2wnl s LYS 42 CO 0.90 -0.09 -0.10 0.00 -0.36 0.00 0.00 175.35 175.70 2wnl s ALA 43 N 0.71 1.83 -0.39 3.13 0.00 -1.26 -0.11 121.76 125.67 2wnl s ALA 43 Ca -0.02 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 2wnl s ALA 43 Cb -0.05 -1.19 0.06 0.00 0.00 0.00 0.00 23.12 21.94 2wnl s ALA 43 CO -0.08 -0.72 0.20 0.34 0.00 0.00 0.00 175.76 175.50 2wnl s ASP 44 N 1.48 5.56 0.00 0.00 3.68 0.05 -4.96 116.67 122.48 2wnl s ASP 44 Ca 0.01 -1.30 0.29 0.00 2.13 0.00 0.00 52.55 53.68 2wnl s ASP 44 Cb -0.15 -1.96 1.32 0.00 -1.45 0.00 0.00 42.92 40.68 2wnl s ASP 44 CO -0.09 -0.44 1.90 -1.54 0.13 0.00 0.00 175.17 175.13 2wnl n SER 45 N 4.90 0.77 0.09 -0.34 3.41 -1.26 -0.73 113.62 120.46 2wnl n SER 45 Ca -0.11 -1.07 0.08 0.00 -0.26 0.00 0.00 58.87 57.51 2wnl n SER 45 Cb 0.44 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.14 0.00 -0.00 4.04 4.64 -1.96 -3.38 113.55 118.03 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 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2wnl h SER 46 CO 0.00 0.20 -0.00 0.35 -0.87 0.00 0.00 176.83 176.51 2wnl n THR 47 N -2.81 0.00 -3.52 2.95 -2.24 -1.20 -5.04 114.28 102.42 2wnl n THR 47 Ca -0.02 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 2wnl n THR 47 Cb 0.64 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.97 -3.81 -4.17 3.42 3.02 0.09 -4.96 115.26 107.88 2wnl n ASN 48 Ca 0.00 -0.80 -0.28 0.00 -0.03 0.00 0.00 54.58 53.48 2wnl n ASN 48 Cb 0.00 -4.44 -0.16 0.00 -0.61 0.00 0.00 39.78 34.56 2wnl n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnl s GLU 49 N -5.40 2.07 0.03 3.52 2.02 -1.01 -1.86 118.70 118.07 2wnl s GLU 49 Ca 0.24 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.62 2wnl s GLU 49 Cb -0.05 -1.76 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 2wnl s GLU 49 CO 0.79 0.26 -0.25 0.08 0.02 0.00 0.00 175.26 176.16 2wnl s VAL 50 N 0.04 2.03 -0.19 2.63 1.01 -0.60 -0.77 120.40 124.54 2wnl s VAL 50 Ca -0.05 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.60 2wnl s VAL 50 Cb -0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2wnl s VAL 50 CO 0.03 0.38 -0.04 -1.81 0.00 0.00 0.00 175.10 173.67 2wnl s ASP 51 N -1.09 4.59 0.08 3.32 1.11 0.84 -2.00 116.67 123.52 2wnl s ASP 51 Ca 0.11 -0.25 0.08 0.00 0.18 0.00 0.00 52.55 52.67 2wnl s ASP 51 Cb -0.10 -1.77 -0.04 0.00 1.07 0.00 0.00 42.92 42.09 2wnl s ASP 51 CO 0.01 0.08 -0.20 -0.76 1.18 0.00 0.00 175.17 175.49 2wnl s LEU 52 N 0.88 2.56 -0.12 1.23 1.43 -0.11 -1.40 118.68 123.15 2wnl s LEU 52 Ca -0.00 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2wnl s LEU 52 Cb -0.15 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 2wnl s LEU 52 CO 0.01 0.22 -0.20 -0.69 0.23 0.00 0.00 176.35 175.93 2wnl s VAL 53 N -1.00 2.39 -0.04 -1.59 1.01 0.04 -1.41 120.40 119.80 2wnl s VAL 53 Ca 0.15 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2wnl s VAL 53 Cb -0.10 -1.95 0.09 0.00 0.00 0.00 0.00 36.38 34.41 2wnl s VAL 53 CO 0.07 0.54 0.77 -0.72 0.00 0.00 0.00 175.10 175.76 2wnl s TYR 54 N 0.45 -0.54 0.03 5.22 -0.85 -0.98 -0.94 117.35 119.76 2wnl s TYR 54 Ca -0.14 0.78 0.03 0.00 -0.52 0.00 0.00 57.07 57.22 2wnl s TYR 54 Cb -0.17 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 2wnl s TYR 54 CO 0.06 -0.58 -0.03 1.52 -1.52 0.00 0.00 175.55 175.00 2wnl s TYR 55 N -1.79 2.95 -0.26 -3.49 -0.85 -0.86 -0.63 117.35 112.43 2wnl s TYR 55 Ca -0.05 -0.01 0.01 0.00 -0.52 0.00 0.00 57.07 56.50 2wnl s TYR 55 Cb -0.00 -1.59 0.05 0.00 0.38 0.00 0.00 41.96 40.79 2wnl s TYR 55 CO 0.02 0.43 -0.09 -2.00 -1.52 0.00 0.00 175.55 172.39 2wnl s GLU 56 N -1.75 2.50 -0.20 -3.49 2.12 -0.53 -1.30 118.70 116.04 2wnl s GLU 56 Ca 0.20 -1.19 -0.24 0.00 0.36 0.00 0.00 54.97 54.10 2wnl s GLU 56 Cb -0.11 -2.92 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 2wnl s GLU 56 CO 0.12 -0.50 0.79 -1.14 -0.54 0.00 0.00 175.26 173.99 2wnl s GLN 57 N 1.20 4.23 -0.10 4.30 0.74 0.36 -3.20 119.66 127.19 2wnl s GLN 57 Ca -0.05 0.90 0.04 0.00 0.05 0.00 0.00 55.36 56.31 2wnl s GLN 57 Cb -0.18 -3.60 -0.00 0.00 1.10 0.00 0.00 33.01 30.32 2wnl s GLN 57 CO -0.05 -0.38 -0.23 -0.65 -0.55 0.00 0.00 175.29 173.43 2wnl s GLN 58 N 2.37 3.07 0.02 1.67 -0.21 0.11 -1.83 119.66 124.86 2wnl s GLN 58 Ca 0.35 -0.86 0.01 0.00 0.02 0.00 0.00 55.36 54.88 2wnl s GLN 58 Cb -0.16 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 2wnl s GLN 58 CO 0.10 0.19 -0.04 -0.98 -2.12 0.00 0.00 175.29 172.44 2wnl s ARG 59 N 0.32 0.34 0.18 2.91 1.70 -0.41 -1.75 118.95 122.25 2wnl s ARG 59 Ca -0.18 -0.48 -0.23 0.00 -0.47 0.00 0.00 55.73 54.37 2wnl s ARG 59 Cb -0.18 -0.12 0.06 0.00 -0.57 0.00 0.00 34.95 34.14 2wnl s ARG 59 CO 0.08 0.02 0.72 1.67 -1.08 0.00 0.00 175.30 176.71 2wnl s TRP 60 N -0.96 -0.35 -0.05 5.89 -2.14 -1.05 -1.04 118.94 119.24 2wnl s TRP 60 Ca -0.08 0.05 0.01 0.00 2.66 0.00 0.00 56.10 58.73 2wnl s TRP 60 Cb -0.07 0.62 0.02 0.00 -3.10 0.00 0.00 33.47 30.94 2wnl s TRP 60 CO -0.00 -0.95 -0.04 0.21 -2.66 0.00 0.00 176.95 173.51 2wnl s LYS 61 N -3.69 0.81 -0.07 3.25 2.20 -1.26 0.36 119.74 121.35 2wnl s LYS 61 Ca 0.06 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.63 2wnl s LYS 61 Cb -0.03 -0.87 0.01 0.00 -1.51 0.00 0.00 37.83 35.43 2wnl s LYS 61 CO -0.04 -0.12 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.16 2wnl s LEU 62 N 1.08 1.83 0.38 5.43 1.43 -0.84 -4.96 118.68 123.02 2wnl s LEU 62 Ca -0.09 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.71 2wnl s LEU 62 Cb -0.14 -1.02 0.75 0.00 0.03 0.00 0.00 46.19 45.81 2wnl s LEU 62 CO -0.01 0.10 1.92 0.78 0.23 0.00 0.00 176.35 179.37 2wnl h ASN 63 N 6.72 0.33 -1.14 2.29 -0.26 -1.88 -2.02 115.58 119.62 2wnl h ASN 63 Ca -0.28 -0.06 0.33 0.00 -0.56 0.00 0.00 56.30 55.73 2wnl h ASN 63 Cb 1.20 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 38.33 2wnl h ASN 63 CO 0.47 0.43 0.85 -1.28 -1.06 0.00 0.00 177.43 176.84 2wnl h SER 64 N 0.35 0.00 -0.31 5.81 0.87 -1.95 -2.29 113.55 116.04 2wnl h SER 64 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2wnl h SER 64 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2wnl h SER 64 CO 0.01 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.49 2wnl n LEU 65 N -4.09 3.59 -4.83 2.23 4.77 -0.76 -5.00 117.00 112.92 2wnl n LEU 65 Ca 0.24 -2.62 -0.33 0.00 -0.03 0.00 0.00 56.01 53.27 2wnl n LEU 65 Cb 1.23 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2wnl n LEU 65 CO 0.39 0.70 0.63 -0.04 -1.33 0.00 0.00 177.39 177.74 2wnl s MET 66 N -2.12 4.12 0.00 3.23 -1.94 -0.86 -3.90 119.30 117.83 2wnl s MET 66 Ca 0.36 1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 55.07 2wnl s MET 66 Cb 0.26 -2.19 0.07 0.00 2.01 0.00 0.00 34.83 34.98 2wnl s MET 66 CO 0.12 -0.08 0.68 1.67 -0.01 0.00 0.00 175.02 177.40 2wnl s TRP 67 N -2.29 -0.60 -0.30 -0.03 -2.14 -0.21 -4.96 118.94 108.40 2wnl s TRP 67 Ca 0.60 0.85 -0.24 0.00 2.66 0.00 0.00 56.10 59.98 2wnl s TRP 67 Cb -0.09 0.46 0.00 0.00 -3.10 0.00 0.00 33.47 30.74 2wnl s TRP 67 CO 0.19 -0.66 0.81 0.34 -2.66 0.00 0.00 176.95 174.96 2wnl s ASP 68 N -1.66 6.69 0.55 -2.66 2.15 -1.26 -4.64 116.67 115.83 2wnl s ASP 68 Ca -0.07 0.70 0.24 0.00 0.43 0.00 0.00 52.55 53.86 2wnl s ASP 68 Cb -0.00 -2.42 1.45 0.00 -0.30 0.00 0.00 42.92 41.65 2wnl s ASP 68 CO 0.03 -0.63 2.06 -0.65 -0.17 0.00 0.00 175.17 175.80 2wnl h PRO 69 N 8.10 0.00 0.00 4.34 0.11 -1.94 -1.68 132.00 140.93 2wnl h PRO 69 Ca -0.24 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 2wnl h PRO 69 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wnl h PRO 69 CO 0.89 0.00 -0.41 -0.91 -0.21 0.00 0.00 178.00 177.37 2wnl h ASN 70 N 0.00 0.00 0.00 -2.05 4.21 -1.92 0.77 115.58 116.58 2wnl h ASN 70 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 2wnl h ASN 70 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 2wnl h ASN 70 CO -0.00 0.41 0.00 1.21 -1.29 0.00 0.00 177.43 177.75 2wnl n GLU 71 N -3.88 0.94 -2.80 0.81 2.13 -0.63 -3.94 120.64 113.27 2wnl n GLU 71 Ca -0.01 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.80 2wnl n GLU 71 Cb 0.46 -1.45 0.07 0.00 0.27 0.00 0.00 31.44 30.79 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 -0.95 0.59 -2.79 4.31 4.01 -0.81 -4.99 117.16 116.53 2wnl n TYR 72 Ca 0.20 -2.08 -0.20 0.00 -0.16 0.00 0.00 57.90 55.66 2wnl n TYR 72 Cb 0.09 0.12 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.76 -0.42 2.88 2.72 0.00 -1.18 -2.76 105.19 105.66 2wnl n GLY 73 Ca 0.02 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.03 -5.59 -4.68 1.61 3.02 0.26 -4.96 115.26 102.90 2wnl n ASN 74 Ca -0.14 -0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 53.79 2wnl n ASN 74 Cb 0.63 -4.57 -0.02 0.00 -0.61 0.00 0.00 39.78 35.21 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 -3.07 4.47 -0.06 2.41 1.01 -1.11 -4.90 121.20 119.95 2wnl s ILE 75 Ca 0.22 1.77 0.20 0.00 0.00 0.00 0.00 60.65 62.85 2wnl s ILE 75 Cb -0.10 -4.14 -0.30 0.00 0.01 0.00 0.00 42.46 37.92 2wnl s ILE 75 CO 0.27 -0.06 0.45 0.35 0.00 0.00 0.00 174.94 175.95 2wnl n THR 76 N 4.89 0.00 -3.83 2.92 -2.24 -1.26 -4.41 114.28 110.35 2wnl n THR 76 Ca 0.11 -0.44 -0.06 0.00 -2.27 0.00 0.00 64.05 61.39 2wnl n THR 76 Cb 0.46 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -4.23 -0.19 0.19 3.42 3.84 -1.26 -1.43 116.67 117.00 2wnl s ASP 77 Ca -0.07 -0.63 -0.14 0.00 -0.00 0.00 0.00 52.55 51.71 2wnl s ASP 77 Cb 0.13 0.67 0.01 0.00 -1.38 0.00 0.00 42.92 42.35 2wnl s ASP 77 CO 0.82 -1.26 0.44 0.72 -0.00 0.00 0.00 175.17 175.90 2wnl s PHE 78 N -3.44 0.08 -0.09 2.11 -0.12 -0.77 -5.01 117.98 110.74 2wnl s PHE 78 Ca 0.13 -0.43 -0.05 0.00 -0.05 0.00 0.00 56.93 56.52 2wnl s PHE 78 Cb -0.04 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.54 2wnl s PHE 78 CO 0.06 -0.85 0.12 1.03 -0.05 0.00 0.00 175.22 175.53 2wnl s ARG 79 N -3.91 3.35 0.01 1.99 3.00 -1.26 -1.72 118.95 120.42 2wnl s ARG 79 Ca 0.12 -0.22 -0.18 0.00 0.00 0.00 0.00 55.73 55.46 2wnl s ARG 79 Cb 0.00 -3.10 0.03 0.00 0.00 0.00 0.00 34.95 31.89 2wnl s ARG 79 CO -0.01 0.74 0.39 -0.08 0.00 0.00 0.00 175.30 176.34 2wnl s THR 80 N -1.07 0.05 0.33 0.02 -1.32 -0.63 -5.01 115.64 108.01 2wnl s THR 80 Ca 0.17 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 59.92 2wnl s THR 80 Cb -0.12 -0.84 -0.12 0.00 -1.51 0.00 0.00 72.50 69.91 2wnl s THR 80 CO 0.07 -0.24 1.47 -0.24 -2.21 0.00 0.00 174.62 173.46 2wnl n SER 81 N 0.82 3.46 0.04 8.08 2.88 -1.26 -0.77 113.62 126.87 2wnl n SER 81 Ca -0.20 1.19 0.06 0.00 -1.33 0.00 0.00 58.87 58.60 2wnl n SER 81 Cb 0.58 -1.56 0.29 0.00 -0.75 0.00 0.00 64.21 62.77 2wnl n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wnl n ALA 82 N 1.13 1.40 0.33 -1.46 0.00 0.01 -1.61 120.51 120.30 2wnl n ALA 82 Ca 0.06 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.64 2wnl n ALA 82 Cb 0.37 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 18.79 2wnl n ALA 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wnl h ALA 83 N 2.25 0.83 0.00 0.00 0.00 -1.90 -3.21 119.26 117.24 2wnl h ALA 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wnl h ALA 83 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wnl h ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 2wnl h ASP 84 N 0.00 0.00 -4.07 0.00 3.32 -1.68 -3.46 116.42 110.53 2wnl h ASP 84 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2wnl h ASP 84 Cb 0.91 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.32 2wnl h ASP 84 CO 0.00 0.00 -0.64 0.27 -1.72 0.00 0.00 179.24 177.15 2wnl s ILE 85 N -3.23 0.86 0.07 0.35 -4.36 -1.21 -5.01 121.20 108.66 2wnl s ILE 85 Ca 0.07 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.15 2wnl s ILE 85 Cb 0.10 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 2wnl s ILE 85 CO 0.52 -0.22 0.98 0.86 0.24 0.00 0.00 174.94 177.33 2wnl s TRP 86 N -3.54 3.73 0.16 1.37 -0.00 -1.26 -4.93 118.94 114.47 2wnl s TRP 86 Ca 0.31 1.74 0.09 0.00 -0.00 0.00 0.00 56.10 58.25 2wnl s TRP 86 Cb 0.07 -3.10 -0.04 0.00 -0.00 0.00 0.00 33.47 30.39 2wnl s TRP 86 CO 0.10 0.04 -0.21 0.95 -0.00 0.00 0.00 176.95 177.83 2wnl s THR 87 N 0.42 1.99 0.63 5.86 -4.23 -1.26 -5.12 115.64 113.93 2wnl s THR 87 Ca 0.49 -1.88 -0.14 0.00 -1.18 0.00 0.00 61.69 58.99 2wnl s THR 87 Cb -0.23 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 2wnl s THR 87 CO 0.29 -0.19 1.06 -2.16 -0.54 0.00 0.00 174.62 173.08 2wnl s PRO 88 N -2.56 3.18 -0.80 3.99 0.04 -1.26 -4.98 135.00 132.62 2wnl s PRO 88 Ca 0.15 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.26 2wnl s PRO 88 Cb -0.07 -2.02 0.29 0.00 0.04 0.00 0.00 34.50 32.74 2wnl s PRO 88 CO 0.07 -0.91 2.16 -0.40 0.04 0.00 0.00 177.00 177.96 2wnl n ASP 89 N -2.47 7.33 -4.70 6.66 5.75 -1.26 -5.00 116.55 122.85 2wnl n ASP 89 Ca 0.08 -3.70 -0.42 0.00 -0.01 0.00 0.00 54.79 50.74 2wnl n ASP 89 Cb 0.53 -1.11 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 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 -4.41 3.13 -0.01 2.12 -1.09 -1.26 -3.11 121.20 116.57 2wnl s ILE 90 Ca 0.52 0.70 0.03 0.00 -2.23 0.00 0.00 60.65 59.68 2wnl s ILE 90 Cb 0.41 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 2wnl s ILE 90 CO -0.36 0.03 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.38 2wnl s THR 91 N 1.86 0.83 0.22 2.92 2.01 0.12 -4.88 115.64 118.72 2wnl s THR 91 Ca 0.69 -0.45 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 2wnl s THR 91 Cb -0.38 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.34 2wnl s THR 91 CO 0.30 0.24 1.28 0.00 -0.69 0.00 0.00 174.62 175.75 2wnl s ALA 92 N -0.24 3.50 -0.68 7.40 0.00 -1.26 -1.61 121.76 128.87 2wnl s ALA 92 Ca 0.04 1.10 0.24 0.00 0.00 0.00 0.00 51.96 53.34 2wnl s ALA 92 Cb -0.04 -3.46 0.24 0.00 0.00 0.00 0.00 23.12 19.85 2wnl s ALA 92 CO -0.00 -0.51 1.20 0.66 0.00 0.00 0.00 175.76 177.11 2wnl n TYR 93 N 2.21 0.35 -2.54 0.00 4.02 0.18 -4.28 117.16 117.11 2wnl n TYR 93 Ca 0.04 0.10 -0.05 0.00 -0.01 0.00 0.00 57.90 57.98 2wnl n TYR 93 Cb 0.43 -0.50 0.05 0.00 -0.02 0.00 0.00 39.34 39.30 2wnl n TYR 93 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wnl n SER 94 N -1.96 2.34 -4.77 7.72 3.41 -1.26 -5.00 113.62 114.10 2wnl n SER 94 Ca 0.03 -2.53 -0.37 0.00 -0.26 0.00 0.00 58.87 55.74 2wnl n SER 94 Cb 0.42 -0.43 -0.01 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 -3.52 6.07 0.00 4.04 1.04 -1.26 -1.78 113.70 118.29 2wnl s SER 95 Ca 0.34 2.31 0.13 0.00 0.48 0.00 0.00 55.95 59.22 2wnl s SER 95 Cb 0.35 -2.60 -0.06 0.00 0.10 0.00 0.00 66.02 63.81 2wnl s SER 95 CO -0.04 -0.98 0.67 0.35 0.98 0.00 0.00 173.24 174.22 2wnl n THR 96 N -0.61 0.00 -4.03 2.02 -2.24 -0.35 -4.87 114.28 104.20 2wnl n THR 96 Ca 0.08 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2wnl n THR 96 Cb 0.48 1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.92 0.83 0.49 -0.78 0.52 -1.25 -5.04 118.95 111.79 2wnl s ARG 97 Ca 0.08 -1.20 -0.24 0.00 -0.52 0.00 0.00 55.73 53.85 2wnl s ARG 97 Cb 0.10 0.27 -0.07 0.00 0.52 0.00 0.00 34.95 35.78 2wnl s ARG 97 CO 0.43 -0.23 1.41 -2.14 0.02 0.00 0.00 175.30 174.79 2wnl s PRO 98 N -3.94 3.45 0.30 3.54 0.02 -1.26 -4.69 135.00 132.41 2wnl s PRO 98 Ca 0.12 2.37 -0.29 0.00 0.02 0.00 0.00 61.00 63.23 2wnl s PRO 98 Cb 0.06 -2.50 -0.10 0.00 0.02 0.00 0.00 34.50 31.99 2wnl s PRO 98 CO -0.06 -0.99 1.35 0.08 -0.33 0.00 0.00 177.00 177.05 2wnl s VAL 99 N -1.23 2.71 -0.20 3.83 1.01 -1.26 -4.85 120.40 120.41 2wnl s VAL 99 Ca 0.65 0.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.25 2wnl s VAL 99 Cb -0.43 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2wnl s VAL 99 CO 0.54 0.14 0.00 -1.10 0.00 0.00 0.00 175.10 174.68 2wnl s GLN 100 N -1.23 3.61 -0.14 2.72 -0.21 -0.80 -4.98 119.66 118.63 2wnl s GLN 100 Ca 0.53 -0.52 -0.17 0.00 0.02 0.00 0.00 55.36 55.22 2wnl s GLN 100 Cb -0.40 -3.09 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 2wnl s GLN 100 CO 0.49 -0.01 0.41 0.08 -2.12 0.00 0.00 175.29 174.14 2wnl s VAL 101 N 1.05 5.23 -0.60 1.09 1.01 -1.26 -0.43 120.40 126.49 2wnl s VAL 101 Ca 0.02 0.80 0.14 0.00 0.00 0.00 0.00 61.98 62.93 2wnl s VAL 101 Cb -0.14 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.34 2wnl s VAL 101 CO 0.02 0.34 0.56 0.18 0.00 0.00 0.00 175.10 176.19 2wnl n LEU 102 N 3.71 0.60 -4.31 3.92 4.77 0.16 -4.98 117.00 120.87 2wnl n LEU 102 Ca -0.09 -0.47 -0.18 0.00 -0.03 0.00 0.00 56.01 55.24 2wnl n LEU 102 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2wnl n LEU 102 CO 0.42 0.15 -0.45 -0.94 -1.33 0.00 0.00 177.39 175.24 2wnl s SER 103 N -2.38 2.39 0.42 -1.43 1.04 -1.25 -4.92 113.70 107.58 2wnl s SER 103 Ca 0.04 -0.95 -0.24 0.00 0.48 0.00 0.00 55.95 55.28 2wnl s SER 103 Cb 0.10 -0.11 -0.10 0.00 0.10 0.00 0.00 66.02 66.01 2wnl s SER 103 CO 0.56 -0.16 1.07 -2.65 0.98 0.00 0.00 173.24 173.04 2wnl n PRO 104 N -0.07 1.47 -2.31 4.02 -0.02 -1.26 -4.82 135.00 132.00 2wnl n PRO 104 Ca -0.11 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2wnl n PRO 104 Cb 0.59 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2wnl n PRO 104 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2wnl n GLN 105 N 0.09 3.97 -4.44 -0.52 -0.06 -1.26 -4.88 117.38 110.28 2wnl n GLN 105 Ca 0.09 -3.62 -0.21 0.00 -2.00 0.00 0.00 57.00 51.26 2wnl n GLN 105 Cb 0.39 -2.81 -0.15 0.00 -4.06 0.00 0.00 30.24 23.61 2wnl n GLN 105 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2wnl s ILE 106 N -0.36 0.85 0.32 1.69 1.01 -1.26 -0.81 121.20 122.63 2wnl s ILE 106 Ca 0.42 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.76 2wnl s ILE 106 Cb 0.12 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 2wnl s ILE 106 CO -0.01 0.26 -0.06 0.00 0.00 0.00 0.00 174.94 175.13 2wnl s ALA 107 N 0.09 3.05 -0.17 9.38 0.00 0.05 -4.61 121.76 129.55 2wnl s ALA 107 Ca -0.02 -1.94 -0.02 0.00 0.00 0.00 0.00 51.96 49.98 2wnl s ALA 107 Cb -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2wnl s ALA 107 CO 0.00 0.14 -0.09 0.08 0.00 0.00 0.00 175.76 175.89 2wnl s VAL 108 N -2.51 3.25 -0.11 0.00 1.01 -0.51 -1.61 120.40 119.91 2wnl s VAL 108 Ca 0.33 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2wnl s VAL 108 Cb -0.01 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2wnl s VAL 108 CO 0.18 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 175.02 2wnl s VAL 109 N 0.85 3.80 0.29 2.92 1.01 -0.70 -0.66 120.40 127.91 2wnl s VAL 109 Ca -0.03 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.63 2wnl s VAL 109 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2wnl s VAL 109 CO 0.01 0.55 0.06 -0.89 0.00 0.00 0.00 175.10 174.82 2wnl s THR 110 N -0.19 3.31 0.35 3.92 2.01 -0.44 -1.84 115.64 122.76 2wnl s THR 110 Ca 0.03 -1.81 0.31 0.00 0.31 0.00 0.00 61.69 60.52 2wnl s THR 110 Cb -0.13 -2.92 0.33 0.00 0.01 0.00 0.00 72.50 69.79 2wnl s THR 110 CO 0.03 -0.30 2.07 1.12 -0.69 0.00 0.00 174.62 176.85 2wnl h HIS 111 N 1.74 0.00 0.00 4.92 2.07 -1.54 0.20 115.15 122.54 2wnl h HIS 111 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2wnl h HIS 111 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2wnl h HIS 111 CO 0.66 0.09 0.00 -0.40 -3.07 0.00 0.00 177.93 175.21 2wnl n ASP 112 N -3.42 0.00 0.00 3.10 5.75 -1.26 -1.05 116.55 119.68 2wnl n ASP 112 Ca -0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.42 2wnl n ASP 112 Cb 0.25 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 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 0.88 0.72 3.79 6.12 0.00 0.69 -4.70 105.19 112.69 2wnl n GLY 113 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.64 6.67 -0.06 1.61 1.04 -1.25 -1.99 113.70 117.09 2wnl s SER 114 Ca 0.00 1.95 0.03 0.00 0.48 0.00 0.00 55.95 58.41 2wnl s SER 114 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2wnl s SER 114 CO 0.00 -0.55 -0.16 -0.69 0.98 0.00 0.00 173.24 172.82 2wnl s VAL 115 N -1.82 1.37 -0.25 5.02 1.01 0.16 -1.33 120.40 124.55 2wnl s VAL 115 Ca 0.61 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2wnl s VAL 115 Cb -0.18 -1.20 0.06 0.00 0.00 0.00 0.00 36.38 35.05 2wnl s VAL 115 CO 0.23 0.40 -0.11 -0.04 0.00 0.00 0.00 175.10 175.59 2wnl s MET 116 N 0.30 2.17 -0.15 2.72 -1.94 0.16 -2.54 119.30 120.02 2wnl s MET 116 Ca -0.09 -1.24 0.01 0.00 -1.71 0.00 0.00 55.69 52.66 2wnl s MET 116 Cb -0.14 -2.80 0.02 0.00 2.01 0.00 0.00 34.83 33.92 2wnl s MET 116 CO 0.03 -0.55 -0.18 0.12 -0.01 0.00 0.00 175.02 174.43 2wnl s PHE 117 N 1.17 2.47 -0.59 -0.03 5.36 -0.71 -1.43 117.98 124.22 2wnl s PHE 117 Ca -0.07 -1.34 0.06 0.00 -0.96 0.00 0.00 56.93 54.62 2wnl s PHE 117 Cb -0.19 -1.73 0.22 0.00 -0.34 0.00 0.00 43.02 40.97 2wnl s PHE 117 CO -0.06 -0.66 0.59 -0.89 -1.46 0.00 0.00 175.22 172.74 2wnl n ILE 118 N 4.42 1.25 -2.44 3.12 5.41 -1.26 -0.71 119.36 129.14 2wnl n ILE 118 Ca -0.19 -4.72 -0.41 0.00 1.00 0.00 0.00 62.75 58.42 2wnl n ILE 118 Cb 0.51 -2.05 -0.03 0.00 -0.71 0.00 0.00 39.64 37.35 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 -1.68 4.51 0.05 0.38 0.04 -1.20 -4.73 135.00 132.37 2wnl s PRO 119 Ca 0.34 1.78 -0.21 0.00 0.04 0.00 0.00 61.00 62.94 2wnl s PRO 119 Cb 0.08 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 2wnl s PRO 119 CO -0.10 -0.09 0.63 0.00 0.04 0.00 0.00 177.00 177.48 2wnl s ALA 120 N 0.28 3.50 0.02 8.56 0.00 -1.26 -1.45 121.76 131.41 2wnl s ALA 120 Ca 0.54 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.60 2wnl s ALA 120 Cb -0.30 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2wnl s ALA 120 CO 0.33 0.25 -0.02 -0.65 0.00 0.00 0.00 175.76 175.67 2wnl s GLN 121 N -0.61 0.26 -0.22 0.00 -0.21 0.19 -0.66 119.66 118.41 2wnl s GLN 121 Ca 0.32 -0.50 -0.06 0.00 0.02 0.00 0.00 55.36 55.13 2wnl s GLN 121 Cb -0.20 0.09 -0.03 0.00 1.00 0.00 0.00 33.01 33.88 2wnl s GLN 121 CO 0.20 -0.04 0.04 0.50 -2.12 0.00 0.00 175.29 173.86 2wnl s ARG 122 N -1.21 3.66 -0.09 2.91 3.52 0.42 -2.31 118.95 125.85 2wnl s ARG 122 Ca -0.13 -0.49 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 2wnl s ARG 122 Cb -0.08 -3.20 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 2wnl s ARG 122 CO -0.01 -0.06 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.03 2wnl s LEU 123 N 1.23 2.20 -0.18 -0.88 2.96 -0.50 -1.90 118.68 121.62 2wnl s LEU 123 Ca 0.04 -0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 2wnl s LEU 123 Cb -0.15 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 2wnl s LEU 123 CO 0.02 0.19 0.13 -0.44 -1.32 0.00 0.00 176.35 174.93 2wnl s SER 124 N 0.18 6.20 0.21 3.68 0.01 -1.26 -0.94 113.70 121.78 2wnl s SER 124 Ca -0.13 0.27 -0.09 0.00 1.31 0.00 0.00 55.95 57.31 2wnl s SER 124 Cb -0.16 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 2wnl s SER 124 CO 0.07 0.23 0.34 0.72 0.41 0.00 0.00 173.24 175.01 2wnl s PHE 125 N 0.05 0.52 -0.28 2.43 -0.12 -0.85 -1.22 117.98 118.52 2wnl s PHE 125 Ca 0.09 -0.86 -0.29 0.00 -0.05 0.00 0.00 56.93 55.82 2wnl s PHE 125 Cb -0.11 -0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.23 2wnl s PHE 125 CO -0.01 -0.83 1.39 -1.64 -0.05 0.00 0.00 175.22 174.09 2wnl s MET 126 N -4.03 3.86 -0.19 1.99 -1.94 -0.73 -1.56 119.30 116.70 2wnl s MET 126 Ca 0.24 1.34 -0.09 0.00 -1.71 0.00 0.00 55.69 55.47 2wnl s MET 126 Cb 0.02 -3.93 0.07 0.00 2.01 0.00 0.00 34.83 33.00 2wnl s MET 126 CO 0.06 -1.20 0.44 0.00 -0.01 0.00 0.00 175.02 174.32 2wnl s ASP 128 N 1.88 6.31 -0.03 0.00 2.15 -1.26 -3.32 116.67 122.39 2wnl s ASP 128 Ca -0.07 -0.26 0.03 0.00 0.43 0.00 0.00 52.55 52.67 2wnl s ASP 128 Cb -0.09 -2.29 0.14 0.00 -0.30 0.00 0.00 42.92 40.37 2wnl s ASP 128 CO -0.13 -0.64 0.77 -0.81 -0.17 0.00 0.00 175.17 174.19 2wnl n PRO 129 N 5.97 1.61 -1.84 4.34 -0.04 -1.26 -4.61 135.00 139.18 2wnl n PRO 129 Ca -0.03 -0.53 -0.42 0.00 -0.04 0.00 0.00 63.50 62.48 2wnl n PRO 129 Cb 0.48 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.38 2.23 0.00 0.52 2.01 -1.26 -2.16 115.64 115.59 2wnl s THR 130 Ca 0.09 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.28 2wnl s THR 130 Cb 0.07 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2wnl s THR 130 CO 0.03 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2wnl n GLY 131 N 2.35 0.75 0.24 4.40 0.00 -1.26 -4.23 105.19 107.43 2wnl n GLY 131 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2wnl n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnl h VAL 132 N 0.00 0.41 -0.74 1.61 3.04 -1.64 -2.04 116.25 116.90 2wnl h VAL 132 Ca 0.00 -0.90 -0.37 0.00 -1.01 0.00 0.00 66.70 64.43 2wnl h VAL 132 Cb 0.00 1.65 -0.22 0.00 -2.01 0.00 0.00 31.29 30.71 2wnl h VAL 132 CO 0.00 0.15 0.46 -0.90 -1.01 0.00 0.00 177.57 176.28 2wnl n ASP 133 N -3.34 3.66 -4.42 3.17 5.75 -1.26 -1.00 116.55 119.10 2wnl n ASP 133 Ca 0.00 -3.19 -0.21 0.00 -0.01 0.00 0.00 54.79 51.38 2wnl n ASP 133 Cb 0.38 -0.75 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 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 -0.74 2.60 0.41 -1.12 1.04 -0.80 -5.04 113.70 110.05 2wnl s SER 134 Ca 0.43 -1.23 0.19 0.00 0.48 0.00 0.00 55.95 55.83 2wnl s SER 134 Cb 0.36 -0.14 0.89 0.00 0.10 0.00 0.00 66.02 67.23 2wnl s SER 134 CO 0.09 -0.41 1.85 -0.08 0.98 0.00 0.00 173.24 175.67 2wnl h GLU 135 N 2.27 0.00 0.00 4.02 4.81 -1.91 -3.03 114.58 120.73 2wnl h GLU 135 Ca -0.40 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.69 2wnl h GLU 135 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2wnl h GLU 135 CO 0.68 0.31 -0.73 0.93 -0.73 0.00 0.00 179.01 179.47 2wnl h GLU 136 N 0.00 0.00 0.00 1.92 4.39 -1.97 -3.49 114.58 115.43 2wnl h GLU 136 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wnl h GLU 136 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2wnl h GLU 136 CO 0.04 0.59 0.00 0.41 -1.16 0.00 0.00 179.01 178.89 2wnl n GLY 137 N 1.28 -2.33 3.90 -3.84 0.00 -1.02 -4.83 105.19 98.35 2wnl n GLY 137 Ca 0.00 -1.56 -0.21 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.03 3.81 -0.05 4.61 0.00 -0.02 -4.40 121.76 124.68 2wnl s ALA 138 Ca 0.00 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2wnl s ALA 138 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.63 2wnl s ALA 138 CO 0.00 0.20 -0.10 0.99 0.00 0.00 0.00 175.76 176.86 2wnl s THR 139 N -2.09 0.89 0.21 0.00 2.01 -1.26 -1.90 115.64 113.50 2wnl s THR 139 Ca 0.35 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2wnl s THR 139 Cb -0.08 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 2wnl s THR 139 CO 0.27 0.29 0.04 0.00 -0.69 0.00 0.00 174.62 174.53 2wnl s ALA 141 N -3.69 -1.00 -0.13 0.00 0.00 -1.26 -0.68 121.76 115.01 2wnl s ALA 141 Ca 0.29 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 53.05 2wnl s ALA 141 Cb 0.07 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2wnl s ALA 141 CO 0.08 -0.23 0.33 0.54 0.00 0.00 0.00 175.76 176.48 2wnl s VAL 142 N -0.41 -0.01 -0.07 0.00 0.11 -0.96 -4.89 120.40 114.16 2wnl s VAL 142 Ca -0.05 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2wnl s VAL 142 Cb -0.03 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 2wnl s VAL 142 CO 0.03 0.02 0.26 -0.54 -3.33 0.00 0.00 175.10 171.53 2wnl s LYS 143 N 0.67 3.65 -0.04 1.54 1.02 -1.26 -0.85 119.74 124.47 2wnl s LYS 143 Ca -0.04 0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.12 2wnl s LYS 143 Cb -0.05 -3.20 -0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2wnl s LYS 143 CO -0.04 0.74 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.83 2wnl s PHE 144 N -1.05 2.42 0.04 3.18 0.08 -0.70 -0.64 117.98 121.30 2wnl s PHE 144 Ca 0.19 -0.48 -0.27 0.00 0.12 0.00 0.00 56.93 56.48 2wnl s PHE 144 Cb -0.14 -1.55 0.10 0.00 -0.57 0.00 0.00 43.02 40.85 2wnl s PHE 144 CO 0.08 -0.06 1.22 0.20 -0.10 0.00 0.00 175.22 176.56 2wnl s GLY 145 N -0.48 -0.16 0.32 4.36 0.00 -0.63 -0.20 107.32 110.52 2wnl s GLY 145 Ca 0.06 0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.63 2wnl s GLY 145 CO 0.01 3.09 1.25 -0.45 0.00 0.00 0.00 173.10 177.00 2wnl s SER 146 N -3.44 6.91 0.05 1.64 0.15 -1.26 0.11 113.70 117.85 2wnl s SER 146 Ca 0.23 2.57 -0.03 0.00 0.70 0.00 0.00 55.95 59.42 2wnl s SER 146 Cb 0.00 -2.64 -0.27 0.00 -1.71 0.00 0.00 66.02 61.40 2wnl s SER 146 CO -0.00 -0.43 1.04 -0.25 1.20 0.00 0.00 173.24 174.80 2wnl h TRP 147 N 3.53 0.43 -0.00 3.44 2.91 -1.90 -3.40 115.95 120.96 2wnl h TRP 147 Ca -0.48 -0.32 0.00 0.00 1.13 0.00 0.00 58.89 59.22 2wnl h TRP 147 Cb 1.22 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.85 2wnl h TRP 147 CO 0.57 1.29 -0.04 1.33 -1.03 0.00 0.00 178.44 180.56 2wnl n VAL 148 N -3.48 0.00 -4.76 2.65 0.24 -1.26 -5.00 118.33 106.72 2wnl n VAL 148 Ca -0.11 -0.48 -0.33 0.00 -2.04 0.00 0.00 64.34 61.38 2wnl n VAL 148 Cb 1.03 1.04 -0.14 0.00 -1.47 0.00 0.00 33.84 34.29 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 -0.56 2.82 0.95 6.34 2.02 -1.26 -5.12 117.35 122.54 2wnl s TYR 149 Ca 0.02 -0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 56.07 2wnl s TYR 149 Cb 0.02 -1.81 0.19 0.00 -0.40 0.00 0.00 41.96 39.96 2wnl s TYR 149 CO 0.05 -0.10 1.30 -1.54 -1.57 0.00 0.00 175.55 173.69 2wnl s SER 150 N 0.11 3.19 0.00 2.29 1.04 -1.26 -4.63 113.70 114.44 2wnl s SER 150 Ca -0.06 0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.76 2wnl s SER 150 Cb -0.15 -0.44 0.30 0.00 0.10 0.00 0.00 66.02 65.84 2wnl s SER 150 CO 0.04 -2.69 0.73 0.61 0.98 0.00 0.00 173.24 172.92 2wnl n GLY 151 N -3.62 -0.44 0.07 7.32 0.00 0.39 -1.08 105.19 107.83 2wnl n GLY 151 Ca 0.14 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.20 2wnl n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wnl n PHE 152 N -0.68 0.00 -0.05 1.61 3.01 -1.26 -4.67 117.46 115.42 2wnl n PHE 152 Ca 0.04 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.42 2wnl n PHE 152 Cb 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.45 2wnl n PHE 152 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2wnl n GLU 153 N -1.08 0.22 -4.05 -1.08 1.02 -0.27 -4.40 120.64 111.00 2wnl n GLU 153 Ca 0.03 0.07 -0.32 0.00 -0.02 0.00 0.00 57.16 56.92 2wnl n GLU 153 Cb 0.22 -1.05 -0.16 0.00 -0.02 0.00 0.00 31.44 30.44 2wnl n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wnl s ILE 154 N -2.18 1.86 -0.34 -3.67 1.01 -0.24 -1.34 121.20 116.30 2wnl s ILE 154 Ca -0.13 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.34 2wnl s ILE 154 Cb 0.04 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 2wnl s ILE 154 CO 0.19 0.31 0.40 -0.62 0.00 0.00 0.00 174.94 175.23 2wnl s ASP 155 N 1.33 6.22 -0.19 3.58 2.15 0.00 -4.27 116.67 125.48 2wnl s ASP 155 Ca 0.01 -0.16 -0.11 0.00 0.43 0.00 0.00 52.55 52.72 2wnl s ASP 155 Cb -0.15 -2.21 -0.05 0.00 -0.30 0.00 0.00 42.92 40.21 2wnl s ASP 155 CO -0.10 -0.37 0.16 -0.76 -0.17 0.00 0.00 175.17 173.94 2wnl s LEU 156 N 2.11 4.22 0.27 -1.34 1.43 -1.26 -1.66 118.68 122.46 2wnl s LEU 156 Ca 0.14 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 2wnl s LEU 156 Cb -0.16 -2.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 2wnl s LEU 156 CO 0.12 0.17 0.07 -0.54 0.23 0.00 0.00 176.35 176.40 2wnl s LYS 157 N 0.35 1.47 -0.03 1.70 1.02 -0.66 -4.93 119.74 118.66 2wnl s LYS 157 Ca 0.10 -1.80 0.05 0.00 0.02 0.00 0.00 55.97 54.35 2wnl s LYS 157 Cb -0.11 -0.48 -0.01 0.00 -0.52 0.00 0.00 37.83 36.71 2wnl s LYS 157 CO -0.01 -0.24 -0.19 0.95 -0.92 0.00 0.00 175.35 174.94 2wnl s THR 158 N -3.58 1.53 0.28 2.17 -4.23 -1.26 -0.79 115.64 109.77 2wnl s THR 158 Ca 0.36 -0.80 0.14 0.00 -1.18 0.00 0.00 61.69 60.21 2wnl s THR 158 Cb 0.08 -1.29 0.07 0.00 1.34 0.00 0.00 72.50 72.70 2wnl s THR 158 CO 0.14 0.44 1.74 0.44 -0.54 0.00 0.00 174.62 176.83 2wnl h ASP 159 N 5.94 0.00 -5.13 3.99 3.32 -1.97 -3.46 116.42 119.11 2wnl h ASP 159 Ca -0.35 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 2wnl h ASP 159 Cb 1.16 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 2wnl h ASP 159 CO 0.48 0.44 -0.43 0.28 -1.72 0.00 0.00 179.24 178.29 2wnl s THR 160 N -3.83 0.14 -1.80 0.35 -1.32 -1.26 -5.05 115.64 102.87 2wnl s THR 160 Ca -0.01 -1.15 0.25 0.00 -1.21 0.00 0.00 61.69 59.57 2wnl s THR 160 Cb 0.13 -1.17 0.20 0.00 -1.51 0.00 0.00 72.50 70.15 2wnl s THR 160 CO 0.72 -0.63 1.45 0.47 -2.21 0.00 0.00 174.62 174.42 2wnl n ASP 161 N 0.29 1.24 -4.69 8.08 9.92 -1.26 -4.79 116.55 125.35 2wnl n ASP 161 Ca -0.17 -1.02 -0.35 0.00 -0.53 0.00 0.00 54.79 52.72 2wnl n ASP 161 Cb 0.61 0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 41.22 2wnl n ASP 161 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2wnl s GLN 162 N -2.51 4.10 0.23 -1.24 -1.52 -1.26 -1.80 119.66 115.66 2wnl s GLN 162 Ca 0.23 -0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.08 2wnl s GLN 162 Cb 0.19 -3.41 -0.09 0.00 -0.22 0.00 0.00 33.01 29.48 2wnl s GLN 162 CO 0.54 0.22 1.25 0.08 -0.25 0.00 0.00 175.29 177.13 2wnl s VAL 163 N 0.58 3.25 -0.24 1.09 1.01 -0.89 -4.84 120.40 120.36 2wnl s VAL 163 Ca 0.07 1.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 2wnl s VAL 163 Cb -0.12 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2wnl s VAL 163 CO 0.00 0.20 1.49 -0.62 0.00 0.00 0.00 175.10 176.17 2wnl s ASP 164 N -0.03 6.53 -0.13 3.32 -1.08 -0.72 -4.87 116.67 119.69 2wnl s ASP 164 Ca 0.53 1.51 0.15 0.00 -0.52 0.00 0.00 52.55 54.22 2wnl s ASP 164 Cb -0.35 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.01 2wnl s ASP 164 CO 0.41 -1.15 1.34 0.18 0.52 0.00 0.00 175.17 176.47 2wnl n LEU 165 N 8.00 3.44 -0.15 -1.34 4.77 -1.26 -2.27 117.00 128.18 2wnl n LEU 165 Ca 0.17 -2.77 0.15 0.00 -0.03 0.00 0.00 56.01 53.53 2wnl n LEU 165 Cb 0.46 -0.44 0.76 0.00 -2.33 0.00 0.00 43.42 41.86 2wnl n LEU 165 CO 0.63 0.68 1.00 -1.54 -1.33 0.00 0.00 177.39 176.83 2wnl n SER 166 N -0.40 0.50 -0.08 -1.43 3.41 -1.26 -2.82 113.62 111.54 2wnl n SER 166 Ca 0.18 -1.02 0.05 0.00 -0.26 0.00 0.00 58.87 57.81 2wnl n SER 166 Cb 0.74 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.73 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 -0.68 1.82 -4.71 4.04 7.64 -1.26 -5.06 113.62 115.41 2wnl n SER 167 Ca 0.20 -2.43 -0.42 0.00 1.01 0.00 0.00 58.87 57.23 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 -1.71 3.16 -0.24 1.43 5.04 -1.13 -4.61 117.35 119.29 2wnl s TYR 168 Ca 0.15 0.89 -0.35 0.00 -2.44 0.00 0.00 57.07 55.32 2wnl s TYR 168 Cb 0.13 -3.70 -0.12 0.00 0.35 0.00 0.00 41.96 38.62 2wnl s TYR 168 CO 0.01 -2.50 2.02 0.98 -1.34 0.00 0.00 175.55 174.72 2wnl n TYR 169 N 4.18 1.96 0.27 4.97 9.36 0.20 -4.84 117.16 133.26 2wnl n TYR 169 Ca 0.12 0.18 0.16 0.00 3.32 0.00 0.00 57.90 61.68 2wnl n TYR 169 Cb 0.42 -2.59 0.65 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 10.76 1.01 -0.50 2.98 0.00 -1.89 -2.81 119.26 128.81 2wnl h ALA 170 Ca -0.39 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2wnl h ALA 170 Cb 1.30 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.92 2wnl h ALA 170 CO 0.98 0.05 0.08 0.43 0.00 0.00 0.00 179.25 180.79 2wnl n SER 171 N -3.16 2.78 -4.79 0.00 7.64 -1.26 -5.02 113.62 109.81 2wnl n SER 171 Ca 0.00 -3.76 -0.31 0.00 1.01 0.00 0.00 58.87 55.82 2wnl n SER 171 Cb 0.33 -0.68 0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.28 4.73 0.36 6.43 0.15 -1.06 -4.96 113.70 117.08 2wnl s SER 172 Ca 0.48 1.66 0.18 0.00 0.70 0.00 0.00 55.95 58.97 2wnl s SER 172 Cb 0.43 -2.43 0.64 0.00 -1.71 0.00 0.00 66.02 62.95 2wnl s SER 172 CO 0.02 -1.87 1.72 0.11 1.20 0.00 0.00 173.24 174.42 2wnl h LYS 173 N -1.01 0.00 -5.50 5.44 1.79 -1.91 -3.43 116.57 111.94 2wnl h LYS 173 Ca -0.45 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.36 2wnl h LYS 173 Cb 1.23 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.56 2wnl h LYS 173 CO 0.54 0.39 -0.88 0.71 -1.08 0.00 0.00 179.45 179.14 2wnl s TYR 174 N -3.59 2.43 0.12 -1.35 2.02 -1.26 -0.41 117.35 115.31 2wnl s TYR 174 Ca 0.00 -0.90 -0.06 0.00 -0.37 0.00 0.00 57.07 55.74 2wnl s TYR 174 Cb 0.11 -1.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.00 2wnl s TYR 174 CO 0.69 -0.34 0.37 -1.83 -1.57 0.00 0.00 175.55 172.88 2wnl s GLU 175 N 0.19 3.65 -0.14 -0.62 -1.05 0.25 -4.77 118.70 116.21 2wnl s GLU 175 Ca -0.13 -0.02 -0.19 0.00 -0.15 0.00 0.00 54.97 54.47 2wnl s GLU 175 Cb -0.16 -2.90 -0.04 0.00 -0.44 0.00 0.00 34.13 30.59 2wnl s GLU 175 CO 0.07 0.50 0.54 0.42 0.95 0.00 0.00 175.26 177.74 2wnl s ILE 176 N -1.57 5.12 -0.07 1.83 -1.09 -1.26 -2.14 121.20 122.02 2wnl s ILE 176 Ca 0.38 1.06 -0.06 0.00 -2.23 0.00 0.00 60.65 59.80 2wnl s ILE 176 Cb -0.13 -3.87 -0.28 0.00 -1.58 0.00 0.00 42.46 36.60 2wnl s ILE 176 CO 0.22 0.25 0.56 -0.07 -1.23 0.00 0.00 174.94 174.67 2wnl h LEU 177 N 7.25 0.44 -7.00 2.97 3.38 -0.83 -3.49 115.31 118.03 2wnl h LEU 177 Ca -0.38 -0.80 0.12 0.00 0.09 0.00 0.00 57.88 56.92 2wnl h LEU 177 Cb 1.17 -0.14 -0.20 0.00 0.09 0.00 0.00 40.66 41.58 2wnl h LEU 177 CO 0.75 1.69 0.59 -0.94 0.09 0.00 0.00 178.44 180.62 2wnl s SER 178 N -7.02 -0.32 -0.21 -0.43 1.04 -1.02 -5.00 113.70 100.73 2wnl s SER 178 Ca -0.17 0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 2wnl s SER 178 Cb 0.06 0.29 0.10 0.00 0.10 0.00 0.00 66.02 66.58 2wnl s SER 178 CO 0.81 -0.41 0.44 0.00 0.98 0.00 0.00 173.24 175.07 2wnl s ALA 179 N -2.02 -1.27 0.22 5.32 0.00 -1.26 -0.68 121.76 122.08 2wnl s ALA 179 Ca 0.03 1.54 0.11 0.00 0.00 0.00 0.00 51.96 53.64 2wnl s ALA 179 Cb -0.01 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 2wnl s ALA 179 CO -0.04 -0.83 -0.21 0.95 0.00 0.00 0.00 175.76 175.63 2wnl s THR 180 N 2.64 2.30 -0.16 0.00 -4.23 -0.66 -2.09 115.64 113.44 2wnl s THR 180 Ca -0.00 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.33 2wnl s THR 180 Cb -0.12 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.61 2wnl s THR 180 CO -0.14 -0.27 -0.03 0.00 -0.54 0.00 0.00 174.62 173.63 2wnl s GLN 181 N -3.05 1.25 -0.03 3.99 -2.07 -0.75 -1.95 119.66 117.06 2wnl s GLN 181 Ca 0.24 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.32 2wnl s GLN 181 Cb -0.06 -1.94 0.03 0.00 -1.09 0.00 0.00 33.01 29.95 2wnl s GLN 181 CO 0.11 -0.45 0.01 0.99 -1.32 0.00 0.00 175.29 174.63 2wnl s THR 182 N 1.69 0.10 -0.03 3.63 2.01 -0.65 -4.37 115.64 118.02 2wnl s THR 182 Ca 0.01 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 2wnl s THR 182 Cb -0.15 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 2wnl s THR 182 CO -0.07 0.12 1.33 -0.60 -0.69 0.00 0.00 174.62 174.71 2wnl s ARG 183 N 0.99 4.30 0.23 4.92 3.52 -1.26 -0.33 118.95 131.31 2wnl s ARG 183 Ca -0.09 1.85 0.10 0.00 -0.13 0.00 0.00 55.73 57.45 2wnl s ARG 183 Cb -0.13 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 2wnl s ARG 183 CO -0.02 -0.55 -0.18 -0.65 -0.81 0.00 0.00 175.30 173.10 2wnl s GLN 184 N 2.46 1.47 -0.08 5.12 -0.21 -0.08 -4.96 119.66 123.38 2wnl s GLN 184 Ca 0.61 -1.63 0.04 0.00 0.02 0.00 0.00 55.36 54.39 2wnl s GLN 184 Cb -0.28 -1.44 -0.02 0.00 1.00 0.00 0.00 33.01 32.27 2wnl s GLN 184 CO 0.24 0.26 -0.18 0.08 -2.12 0.00 0.00 175.29 173.57 2wnl s VAL 185 N -2.60 2.63 0.08 1.09 1.01 -1.26 -1.68 120.40 119.67 2wnl s VAL 185 Ca 0.24 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2wnl s VAL 185 Cb -0.03 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2wnl s VAL 185 CO 0.10 0.56 0.24 -1.58 0.00 0.00 0.00 175.10 174.43 2wnl s GLN 186 N -0.17 0.86 0.12 2.72 0.74 0.13 -4.97 119.66 119.09 2wnl s GLN 186 Ca -0.02 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.63 2wnl s GLN 186 Cb -0.14 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.29 2wnl s GLN 186 CO 0.04 -0.28 0.08 -1.01 -0.55 0.00 0.00 175.29 173.56 2wnl s HIS 187 N -3.50 3.11 0.01 1.67 3.76 -1.26 0.20 115.29 119.27 2wnl s HIS 187 Ca 0.02 0.00 0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2wnl s HIS 187 Cb 0.03 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 2wnl s HIS 187 CO -0.09 0.51 -0.06 0.71 -0.85 0.00 0.00 174.74 174.96 2wnl s TYR 188 N -1.54 0.55 0.45 1.40 1.51 -1.26 -4.96 117.35 113.50 2wnl s TYR 188 Ca 0.29 -0.18 0.12 0.00 -1.01 0.00 0.00 57.07 56.29 2wnl s TYR 188 Cb -0.11 -0.35 1.04 0.00 -0.11 0.00 0.00 41.96 42.43 2wnl s TYR 188 CO 0.22 -0.02 2.07 0.66 -1.11 0.00 0.00 175.55 177.36 2wnl h SER 189 N 5.70 0.29 -0.93 2.29 4.64 -2.00 -1.71 113.55 121.83 2wnl h SER 189 Ca -0.30 -0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.23 2wnl h SER 189 Cb 1.19 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 63.04 2wnl h SER 189 CO 0.48 0.20 -0.12 0.00 -0.87 0.00 0.00 176.83 176.53 2wnl h PRO 192 N 5.23 0.00 -5.85 0.00 0.13 -1.87 -3.39 132.00 126.24 2wnl h PRO 192 Ca -0.29 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.21 2wnl h PRO 192 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2wnl h PRO 192 CO 0.45 0.22 -0.48 -1.83 -0.23 0.00 0.00 178.00 176.13 2wnl s GLU 193 N -4.39 3.45 0.53 0.86 -1.05 -1.26 -5.00 118.70 111.84 2wnl s GLU 193 Ca -0.03 -0.33 -0.20 0.00 -0.15 0.00 0.00 54.97 54.26 2wnl s GLU 193 Cb 0.15 -3.07 -0.06 0.00 -0.44 0.00 0.00 34.13 30.70 2wnl s GLU 193 CO 0.68 0.65 1.12 -1.25 0.95 0.00 0.00 175.26 177.41 2wnl s PRO 194 N -2.10 3.46 0.07 -4.83 0.04 -1.26 -4.66 135.00 125.73 2wnl s PRO 194 Ca 0.30 1.59 0.08 0.00 0.04 0.00 0.00 61.00 63.01 2wnl s PRO 194 Cb -0.13 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2wnl s PRO 194 CO 0.21 -0.76 -0.17 0.71 0.04 0.00 0.00 177.00 177.03 2wnl s TYR 195 N -1.78 2.57 -0.10 0.56 1.51 0.54 -0.46 117.35 120.19 2wnl s TYR 195 Ca 0.71 -0.24 -0.03 0.00 -1.01 0.00 0.00 57.07 56.50 2wnl s TYR 195 Cb -0.23 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 2wnl s TYR 195 CO 0.27 0.32 0.01 0.42 -1.11 0.00 0.00 175.55 175.46 2wnl s ILE 196 N -1.03 4.40 0.11 2.71 -1.09 -1.26 0.17 121.20 125.21 2wnl s ILE 196 Ca 0.16 -0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.37 2wnl s ILE 196 Cb -0.11 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 2wnl s ILE 196 CO 0.08 0.58 0.04 1.51 -1.23 0.00 0.00 174.94 175.92 2wnl s ASP 197 N -0.65 0.34 -0.27 3.58 1.47 -0.67 -4.32 116.67 116.15 2wnl s ASP 197 Ca 0.11 -1.17 -0.02 0.00 1.18 0.00 0.00 52.55 52.65 2wnl s ASP 197 Cb -0.12 0.28 0.03 0.00 -0.34 0.00 0.00 42.92 42.77 2wnl s ASP 197 CO 0.02 -0.70 -0.03 -0.69 0.68 0.00 0.00 175.17 174.45 2wnl s VAL 198 N -4.02 3.02 -0.15 2.11 1.01 0.72 -0.91 120.40 122.19 2wnl s VAL 198 Ca 0.21 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 2wnl s VAL 198 Cb 0.08 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2wnl s VAL 198 CO -0.01 0.11 0.64 0.21 0.00 0.00 0.00 175.10 176.06 2wnl s ASN 199 N 1.33 6.79 -0.44 3.32 3.04 0.55 -1.72 114.94 127.81 2wnl s ASN 199 Ca -0.01 0.96 -0.10 0.00 0.04 0.00 0.00 52.86 53.75 2wnl s ASN 199 Cb -0.17 -2.37 0.09 0.00 -1.54 0.00 0.00 41.25 37.26 2wnl s ASN 199 CO -0.03 -0.20 0.30 -0.22 -3.04 0.00 0.00 177.10 173.92 2wnl s LEU 200 N 1.41 5.37 -0.25 3.21 2.96 -0.03 -1.64 118.68 129.71 2wnl s LEU 200 Ca 0.32 -1.62 -0.09 0.00 -0.22 0.00 0.00 54.13 52.52 2wnl s LEU 200 Cb -0.16 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2wnl s LEU 200 CO 0.13 -0.60 0.12 -0.69 -1.32 0.00 0.00 176.35 173.99 2wnl s VAL 201 N 1.43 4.87 -0.05 1.68 1.01 -0.82 -2.27 120.40 126.24 2wnl s VAL 201 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.09 2wnl s VAL 201 Cb -0.24 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2wnl s VAL 201 CO 0.02 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.53 2wnl s VAL 202 N 1.37 2.26 -0.11 2.92 1.01 0.15 -1.65 120.40 126.34 2wnl s VAL 202 Ca 0.06 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2wnl s VAL 202 Cb -0.15 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2wnl s VAL 202 CO 0.06 0.57 -0.12 -0.75 0.00 0.00 0.00 175.10 174.86 2wnl s LYS 203 N -0.34 1.96 0.05 2.72 2.20 0.14 -1.44 119.74 125.04 2wnl s LYS 203 Ca 0.02 -0.45 -0.25 0.00 -0.36 0.00 0.00 55.97 54.92 2wnl s LYS 203 Cb -0.12 -1.78 0.06 0.00 -1.51 0.00 0.00 37.83 34.48 2wnl s LYS 203 CO 0.02 -0.15 0.60 -0.59 -0.36 0.00 0.00 175.35 174.87 2wnl s PHE 204 N 1.25 -0.54 0.20 4.03 -0.12 -0.80 -0.06 117.98 121.95 2wnl s PHE 204 Ca -0.02 0.64 -0.10 0.00 -0.05 0.00 0.00 56.93 57.40 2wnl s PHE 204 Cb -0.14 0.43 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 2wnl s PHE 204 CO -0.05 -0.70 0.35 -0.98 -0.05 0.00 0.00 175.22 173.79 2wnl s ARG 205 N -2.47 1.30 0.27 1.99 1.70 -0.91 -0.84 118.95 120.00 2wnl s ARG 205 Ca -0.05 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.68 2wnl s ARG 205 Cb -0.01 0.41 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 2wnl s ARG 205 CO -0.02 -0.50 1.45 -1.21 -1.08 0.00 0.00 175.30 173.94 2wnl s GLU 206 N -4.00 4.25 0.26 3.89 2.02 -0.17 -0.58 118.70 124.37 2wnl s GLU 206 Ca 0.21 2.35 -0.29 0.00 0.02 0.00 0.00 54.97 57.25 2wnl s GLU 206 Cb 0.02 -3.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.08 2wnl s GLU 206 CO 0.04 -0.43 1.14 -0.98 0.02 0.00 0.00 175.26 175.05 2wnl s ARG 207 N -0.68 4.59 0.00 1.61 1.70 0.45 -4.73 118.95 121.89 2wnl s ARG 207 Ca 0.58 1.85 -0.00 0.00 -0.47 0.00 0.00 55.73 57.69 2wnl s ARG 207 Cb -0.43 -3.19 -0.00 0.00 -0.57 0.00 0.00 34.95 30.76 2wnl s ARG 207 CO 0.46 0.11 0.00 1.03 -1.08 0.00 0.00 175.30 175.83 2wnl s ARG 208 N -1.19 0.06 0.00 3.89 0.52 -1.26 -5.00 118.95 115.98 2wnl s ARG 208 Ca 0.47 -0.09 0.29 0.00 -0.52 0.00 0.00 55.73 55.88 2wnl s ARG 208 Cb -0.33 0.02 1.36 0.00 0.52 0.00 0.00 34.95 36.53 2wnl s ARG 208 CO 0.41 -0.01 1.92 0.00 0.02 0.00 0.00 175.30 177.64