#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnj h ASP -5 N 0.00 0.16 0.90 -5.58 5.19 -2.05 2.11 116.42 117.16 2wnj h ASP -5 Ca 0.00 -0.11 -0.20 0.00 -0.62 0.00 0.00 57.03 56.10 2wnj h ASP -5 Cb 0.00 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 2wnj h ASP -5 CO 0.00 0.81 -0.96 0.44 -3.12 0.00 0.00 179.24 176.40 2wnj h ASP -4 N 0.09 0.05 -0.21 6.45 5.19 -2.05 -2.23 116.42 123.71 2wnj h ASP -4 Ca -0.02 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.26 2wnj h ASP -4 Cb 1.24 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 2wnj h ASP -4 CO 0.10 0.98 -0.16 0.44 -3.12 0.00 0.00 179.24 177.48 2wnj h ASP -3 N 0.01 0.62 -0.92 6.45 3.45 -1.75 -0.02 116.42 124.27 2wnj h ASP -3 Ca -0.02 -0.19 0.04 0.00 0.43 0.00 0.00 57.03 57.29 2wnj h ASP -3 Cb 1.69 -0.17 -0.06 0.00 -0.56 0.00 0.00 39.33 40.23 2wnj h ASP -3 CO 0.13 0.80 0.59 0.44 -1.57 0.00 0.00 179.24 179.63 2wnj h ASP -2 N 0.57 0.98 -0.20 6.45 3.45 0.35 0.46 116.42 128.47 2wnj h ASP -2 Ca 0.09 -0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.50 2wnj h ASP -2 Cb 0.61 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 2wnj h ASP -2 CO 0.04 0.66 -0.07 0.11 -1.57 0.00 0.00 179.24 178.41 2wnj h LYS -1 N 1.13 0.41 -0.87 3.56 1.57 -0.91 -0.04 116.57 121.43 2wnj h LYS -1 Ca 0.37 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2wnj h LYS -1 Cb 0.03 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2wnj h LYS -1 CO -0.13 0.68 0.57 -0.07 -0.57 0.00 0.00 179.45 179.93 2wnj h LEU 0 N 0.12 0.99 -0.67 2.94 3.38 -0.68 -2.09 115.31 119.30 2wnj h LEU 0 Ca 0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2wnj h LEU 0 Cb 0.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2wnj h LEU 0 CO 0.02 0.71 0.06 0.45 0.09 0.00 0.00 178.44 179.78 2wnj h HIS 1 N 1.16 1.18 -0.83 1.13 3.86 0.10 -0.97 115.15 120.77 2wnj h HIS 1 Ca 0.32 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 2wnj h HIS 1 Cb -0.11 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.00 2wnj h HIS 1 CO -0.01 1.00 0.40 0.66 0.86 0.00 0.00 177.93 180.84 2wnj h SER 2 N 1.01 1.09 -0.31 2.45 4.64 -0.71 0.85 113.55 122.57 2wnj h SER 2 Ca 0.19 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 2wnj h SER 2 Cb 0.49 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2wnj h SER 2 CO 0.02 0.91 -0.02 1.56 -0.87 0.00 0.00 176.83 178.44 2wnj h GLN 3 N 1.19 0.55 -0.45 4.77 4.20 -1.04 -1.70 115.11 122.64 2wnj h GLN 3 Ca 0.29 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.86 2wnj h GLN 3 Cb 0.12 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 2wnj h GLN 3 CO -0.04 0.71 0.18 0.00 -0.67 0.00 0.00 178.83 179.01 2wnj h ALA 4 N 0.83 0.55 -0.57 3.87 0.00 -0.91 0.12 119.26 123.14 2wnj h ALA 4 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wnj h ALA 4 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2wnj h ALA 4 CO 0.02 -0.20 0.28 -0.91 0.00 0.00 0.00 179.25 178.44 2wnj h ASN 5 N 0.36 0.75 -0.30 0.00 2.35 -0.69 0.99 115.58 119.03 2wnj h ASN 5 Ca 0.21 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2wnj h ASN 5 Cb 0.18 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2wnj h ASN 5 CO -0.19 0.66 -0.21 0.25 -1.65 0.00 0.00 177.43 176.29 2wnj h LEU 6 N 0.78 0.71 -0.40 1.61 5.85 -1.00 0.16 115.31 123.01 2wnj h LEU 6 Ca 0.20 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2wnj h LEU 6 Cb 0.11 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2wnj h LEU 6 CO -0.03 0.99 0.04 0.24 -0.34 0.00 0.00 178.44 179.34 2wnj h MET 7 N 0.43 0.15 -0.41 1.25 2.86 -0.51 -1.22 114.93 117.47 2wnj h MET 7 Ca 0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wnj h MET 7 Cb 0.75 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 2wnj h MET 7 CO 0.06 0.10 0.22 -0.09 1.06 0.00 0.00 176.91 178.25 2wnj h ARG 8 N 0.15 0.58 -0.30 1.72 2.43 -0.62 -1.08 114.38 117.26 2wnj h ARG 8 Ca 0.20 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2wnj h ARG 8 Cb 0.26 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2wnj h ARG 8 CO -0.29 0.48 0.07 1.25 -1.51 0.00 0.00 179.97 179.96 2wnj h LEU 9 N 0.53 0.04 -0.44 3.80 5.85 -0.32 0.19 115.31 124.96 2wnj h LEU 9 Ca 0.14 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2wnj h LEU 9 Cb 0.07 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2wnj h LEU 9 CO -0.02 0.06 -0.13 0.11 -0.34 0.00 0.00 178.44 178.11 2wnj h LYS 10 N 0.18 0.86 -0.37 1.25 1.57 -0.99 -0.62 116.57 118.45 2wnj h LYS 10 Ca 0.14 -0.34 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2wnj h LYS 10 Cb 0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 2wnj h LYS 10 CO -0.17 0.98 -0.00 1.03 -0.57 0.00 0.00 179.45 180.72 2wnj h SER 11 N 0.69 -0.16 -0.74 0.86 0.87 -1.04 0.15 113.55 114.18 2wnj h SER 11 Ca 0.11 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2wnj h SER 11 Cb 0.68 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2wnj h SER 11 CO 0.05 -0.04 0.38 0.44 -0.53 0.00 0.00 176.83 177.12 2wnj h ASP 12 N 0.10 0.95 0.21 6.23 3.32 -0.59 0.59 116.42 127.22 2wnj h ASP 12 Ca 0.18 -0.12 -0.25 0.00 0.02 0.00 0.00 57.03 56.86 2wnj h ASP 12 Cb 0.26 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2wnj h ASP 12 CO -0.31 0.80 -1.02 -0.07 -1.72 0.00 0.00 179.24 176.92 2wnj h LEU 13 N 1.03 0.70 0.00 1.55 3.38 -0.91 -3.30 115.31 117.76 2wnj h LEU 13 Ca 0.26 -0.58 -0.37 0.00 0.09 0.00 0.00 57.88 57.28 2wnj h LEU 13 Cb 0.08 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 2wnj h LEU 13 CO -0.04 1.38 -2.40 0.49 0.09 0.00 0.00 178.44 177.96 2wnj n PHE 14 N -3.78 0.00 -0.03 1.13 0.99 0.51 -4.40 117.46 111.88 2wnj n PHE 14 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.40 2wnj n PHE 14 Cb 0.87 -0.99 -0.15 0.00 -1.00 0.00 0.00 39.48 38.22 2wnj n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2wnj n ASN 15 N -2.92 0.63 -0.65 4.37 5.03 0.20 -4.44 115.26 117.48 2wnj n ASN 15 Ca -0.37 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.16 2wnj n ASN 15 Cb 1.09 1.60 0.21 0.00 -1.02 0.00 0.00 39.78 41.66 2wnj n ASN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wnj n ARG 16 N -2.31 2.59 -3.80 3.52 1.74 -1.05 -4.88 116.66 112.48 2wnj n ARG 16 Ca -0.11 -2.62 -0.13 0.00 -0.77 0.00 0.00 57.85 54.22 2wnj n ARG 16 Cb 0.67 -1.66 -0.14 0.00 -1.02 0.00 0.00 32.46 30.31 2wnj n ARG 16 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wnj s SER 17 N -1.95 -0.05 0.57 0.55 0.01 -1.25 -5.00 113.70 106.58 2wnj s SER 17 Ca 0.35 0.17 -0.20 0.00 1.31 0.00 0.00 55.95 57.59 2wnj s SER 17 Cb 0.28 0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 2wnj s SER 17 CO 0.08 -0.09 1.08 -2.65 0.41 0.00 0.00 173.24 172.07 2wnj n PRO 18 N 3.66 1.13 -1.78 12.44 -0.02 -1.26 -4.71 135.00 144.46 2wnj n PRO 18 Ca -0.20 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 2wnj n PRO 18 Cb 0.55 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.75 2wnj n PRO 18 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2wnj s MET 19 N -2.75 4.11 0.17 -0.52 -2.45 -1.26 -4.90 119.30 111.70 2wnj s MET 19 Ca 0.74 2.58 -0.33 0.00 -1.25 0.00 0.00 55.69 57.44 2wnj s MET 19 Cb -0.43 -2.99 -0.12 0.00 1.25 0.00 0.00 34.83 32.53 2wnj s MET 19 CO 0.48 -0.59 1.69 0.98 1.05 0.00 0.00 175.02 178.63 2wnj n TYR 20 N 1.30 2.55 1.99 4.11 9.36 -1.26 -4.85 117.16 130.36 2wnj n TYR 20 Ca 0.05 0.09 0.03 0.00 3.32 0.00 0.00 57.90 61.39 2wnj n TYR 20 Cb 0.38 -2.64 0.18 0.00 -0.63 0.00 0.00 39.34 36.64 2wnj n TYR 20 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wnj n PRO 21 N 4.10 1.00 0.00 2.98 -0.04 -1.26 -4.87 135.00 136.91 2wnj n PRO 21 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2wnj n PRO 21 Cb 0.33 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2wnj n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnj n GLY 22 N 0.59 -0.80 3.80 0.55 0.00 -1.26 -4.98 105.19 103.09 2wnj n GLY 22 Ca 0.05 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 2wnj n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wnj s PRO 23 N -2.01 3.00 0.31 1.61 0.04 -1.26 -5.05 135.00 131.63 2wnj s PRO 23 Ca 0.00 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.26 2wnj s PRO 23 Cb 0.00 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 2wnj s PRO 23 CO 0.00 -1.07 0.23 0.95 0.04 0.00 0.00 177.00 177.16 2wnj s THR 24 N -2.64 0.05 0.38 1.26 -4.23 -0.90 -4.98 115.64 104.58 2wnj s THR 24 Ca 0.62 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 2wnj s THR 24 Cb -0.16 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.41 2wnj s THR 24 CO 0.45 0.00 1.98 0.11 -0.54 0.00 0.00 174.62 176.62 2wnj h LYS 25 N 2.22 0.55 0.00 3.99 1.57 -1.92 -1.24 116.57 121.74 2wnj h LYS 25 Ca -0.28 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2wnj h LYS 25 Cb 1.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2wnj h LYS 25 CO 0.42 0.45 0.00 -0.44 -0.57 0.00 0.00 179.45 179.30 2wnj h ASP 26 N 0.55 0.00 -1.95 0.86 3.32 -1.97 -3.38 116.42 113.86 2wnj h ASP 26 Ca 0.14 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.66 2wnj h ASP 26 Cb 0.09 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.25 2wnj h ASP 26 CO -0.02 0.00 -1.12 -0.67 -1.72 0.00 0.00 179.24 175.71 2wnj n ASP 27 N -3.05 0.31 -4.81 6.45 2.03 -0.81 -5.13 116.55 111.54 2wnj n ASP 27 Ca 0.04 -2.81 -0.30 0.00 0.52 0.00 0.00 54.79 52.24 2wnj n ASP 27 Cb 0.52 -0.57 0.10 0.00 -0.72 0.00 0.00 41.12 40.45 2wnj n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wnj s PRO 28 N -1.54 1.93 0.02 -0.67 0.04 -0.53 -2.11 135.00 132.14 2wnj s PRO 28 Ca 0.36 0.52 0.03 0.00 0.04 0.00 0.00 61.00 61.96 2wnj s PRO 28 Cb 0.23 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2wnj s PRO 28 CO -0.10 -1.70 -0.09 -1.17 0.04 0.00 0.00 177.00 173.98 2wnj s LEU 29 N -5.79 2.14 -0.23 -3.56 2.96 -0.07 -4.91 118.68 109.22 2wnj s LEU 29 Ca 0.61 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2wnj s LEU 29 Cb -0.14 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 2wnj s LEU 29 CO 0.54 -0.02 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.64 2wnj s THR 30 N -0.75 3.67 -0.23 3.68 2.01 -1.26 -1.05 115.64 121.71 2wnj s THR 30 Ca -0.02 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 2wnj s THR 30 Cb -0.07 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2wnj s THR 30 CO 0.00 0.40 0.14 -0.69 -0.69 0.00 0.00 174.62 173.79 2wnj s VAL 31 N 1.47 5.29 -0.13 3.82 1.01 0.03 -4.60 120.40 127.30 2wnj s VAL 31 Ca 0.05 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 2wnj s VAL 31 Cb -0.14 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2wnj s VAL 31 CO -0.01 0.37 0.58 -0.89 0.00 0.00 0.00 175.10 175.15 2wnj s THR 32 N 0.88 5.11 -0.06 3.92 2.01 0.24 -1.75 115.64 125.99 2wnj s THR 32 Ca 0.07 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.27 2wnj s THR 32 Cb -0.13 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2wnj s THR 32 CO 0.03 0.25 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.76 2wnj s LEU 33 N 1.01 2.02 0.01 4.42 2.96 0.29 -1.63 118.68 127.75 2wnj s LEU 33 Ca 0.30 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2wnj s LEU 33 Cb -0.16 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 2wnj s LEU 33 CO 0.13 0.21 0.09 -0.83 -1.32 0.00 0.00 176.35 174.62 2wnj s GLY 34 N -0.07 0.11 -0.03 7.98 0.00 -0.69 -4.39 107.32 110.24 2wnj s GLY 34 Ca -0.05 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.47 2wnj s GLY 34 CO 0.04 -0.39 -0.25 -1.36 0.00 0.00 0.00 173.10 171.13 2wnj s PHE 35 N -1.43 2.29 -0.30 1.90 0.08 -1.26 -0.30 117.98 118.96 2wnj s PHE 35 Ca -0.15 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 56.41 2wnj s PHE 35 Cb -0.08 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 2wnj s PHE 35 CO 0.01 -0.08 -0.02 0.99 -0.10 0.00 0.00 175.22 176.02 2wnj s THR 36 N -0.49 2.69 -0.27 0.64 2.01 -0.26 -1.61 115.64 118.35 2wnj s THR 36 Ca 0.07 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.28 2wnj s THR 36 Cb -0.11 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2wnj s THR 36 CO 0.00 -0.15 0.66 -0.22 -0.69 0.00 0.00 174.62 174.22 2wnj s LEU 37 N 1.17 4.08 -0.15 4.42 2.96 -0.79 -1.00 118.68 129.37 2wnj s LEU 37 Ca -0.05 0.68 0.07 0.00 -0.22 0.00 0.00 54.13 54.61 2wnj s LEU 37 Cb -0.20 -2.89 -0.23 0.00 0.50 0.00 0.00 46.19 43.37 2wnj s LEU 37 CO -0.03 -0.42 0.23 0.00 -1.32 0.00 0.00 176.35 174.81 2wnj n GLN 38 N 5.81 0.68 -3.63 1.98 6.02 0.38 -3.49 117.38 125.14 2wnj n GLN 38 Ca 0.00 0.17 -0.11 0.00 -0.01 0.00 0.00 57.00 57.06 2wnj n GLN 38 Cb 0.49 -1.64 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 2wnj n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wnj s ASP 39 N -6.25 -0.51 -0.41 1.08 2.15 -0.72 -0.23 116.67 111.79 2wnj s ASP 39 Ca -0.17 0.93 -0.15 0.00 0.43 0.00 0.00 52.55 53.59 2wnj s ASP 39 Cb 0.07 0.93 0.02 0.00 -0.30 0.00 0.00 42.92 43.64 2wnj s ASP 39 CO 0.76 -0.20 0.32 -0.63 -0.17 0.00 0.00 175.17 175.25 2wnj s ILE 40 N 0.08 5.24 -0.06 4.11 1.01 -1.26 -0.48 121.20 129.84 2wnj s ILE 40 Ca 0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.85 2wnj s ILE 40 Cb -0.04 -3.95 -0.30 0.00 0.01 0.00 0.00 42.46 38.18 2wnj s ILE 40 CO -0.04 -0.33 0.78 0.58 0.00 0.00 0.00 174.94 175.93 2wnj h VAL 41 N 5.64 1.30 -2.84 2.92 2.07 -1.22 -3.41 116.25 120.72 2wnj h VAL 41 Ca -0.27 -2.50 -0.13 0.00 0.82 0.00 0.00 66.70 64.62 2wnj h VAL 41 Cb 1.12 3.00 -0.23 0.00 -1.52 0.00 0.00 31.29 33.66 2wnj h VAL 41 CO 0.74 0.72 -0.26 -0.75 0.02 0.00 0.00 177.57 178.04 2wnj s LYS 42 N -2.47 0.51 -0.19 1.57 2.20 -1.21 -4.87 119.74 115.28 2wnj s LYS 42 Ca -0.15 0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.81 2wnj s LYS 42 Cb 0.03 0.24 0.05 0.00 -1.51 0.00 0.00 37.83 36.64 2wnj s LYS 42 CO 0.82 -0.09 -0.02 0.00 -0.36 0.00 0.00 175.35 175.70 2wnj s ALA 43 N -0.17 1.42 -0.46 3.13 0.00 -1.26 -0.87 121.76 123.54 2wnj s ALA 43 Ca -0.03 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.89 2wnj s ALA 43 Cb -0.03 -1.21 0.07 0.00 0.00 0.00 0.00 23.12 21.95 2wnj s ALA 43 CO 0.02 -1.01 0.37 0.34 0.00 0.00 0.00 175.76 175.48 2wnj s ASP 44 N 1.66 6.06 0.00 0.00 -1.08 0.43 -4.93 116.67 118.81 2wnj s ASP 44 Ca -0.01 -1.35 0.30 0.00 -0.52 0.00 0.00 52.55 50.96 2wnj s ASP 44 Cb -0.17 -2.15 1.44 0.00 -1.46 0.00 0.00 42.92 40.58 2wnj s ASP 44 CO -0.07 -0.63 1.99 -1.54 0.52 0.00 0.00 175.17 175.44 2wnj n SER 45 N 5.16 0.16 0.11 -0.34 3.41 -1.26 -0.57 113.62 120.29 2wnj n SER 45 Ca -0.12 -0.33 0.03 0.00 -0.26 0.00 0.00 58.87 58.19 2wnj n SER 45 Cb 0.44 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 2wnj n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wnj h SER 46 N 0.18 0.00 0.00 4.04 4.64 -1.95 -3.38 113.55 117.08 2wnj h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnj h SER 46 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2wnj h SER 46 CO 0.00 0.44 0.00 0.35 -0.87 0.00 0.00 176.83 176.75 2wnj n THR 47 N -3.08 0.00 -3.66 2.95 -2.24 -1.18 -5.03 114.28 102.04 2wnj n THR 47 Ca -0.01 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.13 2wnj n THR 47 Cb 0.73 1.06 0.04 0.00 -2.10 0.00 0.00 70.33 70.06 2wnj n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wnj n ASN 48 N -0.56 -3.28 -4.27 3.42 3.02 0.26 -4.93 115.26 108.93 2wnj n ASN 48 Ca 0.00 -0.90 -0.29 0.00 -0.03 0.00 0.00 54.58 53.36 2wnj n ASN 48 Cb 0.02 -3.87 -0.16 0.00 -0.61 0.00 0.00 39.78 35.16 2wnj n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnj s GLU 49 N -5.82 1.88 0.06 3.52 2.02 -1.14 -1.56 118.70 117.66 2wnj s GLU 49 Ca 0.23 -0.86 0.07 0.00 0.02 0.00 0.00 54.97 54.43 2wnj s GLU 49 Cb -0.07 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 2wnj s GLU 49 CO 0.83 0.50 -0.20 0.08 0.02 0.00 0.00 175.26 176.49 2wnj s VAL 50 N -0.57 1.59 -0.18 2.63 1.01 -0.50 -0.43 120.40 123.94 2wnj s VAL 50 Ca 0.09 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 2wnj s VAL 50 Cb -0.09 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 2wnj s VAL 50 CO -0.01 0.08 -0.12 -1.81 0.00 0.00 0.00 175.10 173.25 2wnj s ASP 51 N -1.41 3.83 0.07 3.32 1.11 -0.05 -1.22 116.67 122.32 2wnj s ASP 51 Ca 0.06 -0.47 0.05 0.00 0.18 0.00 0.00 52.55 52.38 2wnj s ASP 51 Cb -0.09 -1.62 -0.04 0.00 1.07 0.00 0.00 42.92 42.24 2wnj s ASP 51 CO 0.02 0.03 -0.06 -0.76 1.18 0.00 0.00 175.17 175.58 2wnj s LEU 52 N 1.15 3.20 -0.13 1.23 1.43 -0.04 -0.60 118.68 124.91 2wnj s LEU 52 Ca 0.01 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2wnj s LEU 52 Cb -0.14 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2wnj s LEU 52 CO -0.04 0.20 -0.21 -0.69 0.23 0.00 0.00 176.35 175.85 2wnj s VAL 53 N -1.19 1.95 0.16 -1.59 1.01 0.37 -0.87 120.40 120.24 2wnj s VAL 53 Ca 0.22 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2wnj s VAL 53 Cb -0.11 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2wnj s VAL 53 CO 0.13 0.53 0.33 -0.72 0.00 0.00 0.00 175.10 175.37 2wnj s TYR 54 N 0.81 0.23 -0.17 5.22 -0.85 -0.69 -0.47 117.35 121.44 2wnj s TYR 54 Ca -0.08 -0.59 -0.07 0.00 -0.52 0.00 0.00 57.07 55.81 2wnj s TYR 54 Cb -0.16 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.19 2wnj s TYR 54 CO -0.01 -0.74 0.07 0.71 -1.52 0.00 0.00 175.55 174.06 2wnj s TYR 55 N -3.93 3.27 -0.34 -3.49 4.12 -0.17 -0.92 117.35 115.89 2wnj s TYR 55 Ca 0.13 0.12 -0.05 0.00 0.02 0.00 0.00 57.07 57.30 2wnj s TYR 55 Cb 0.03 -2.05 0.06 0.00 -1.52 0.00 0.00 41.96 38.47 2wnj s TYR 55 CO -0.03 0.22 0.10 -2.00 0.02 0.00 0.00 175.55 173.86 2wnj s GLU 56 N 0.19 2.47 -0.05 -0.62 2.12 -0.17 -1.10 118.70 121.54 2wnj s GLU 56 Ca 0.05 -1.33 -0.30 0.00 0.36 0.00 0.00 54.97 53.75 2wnj s GLU 56 Cb -0.12 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 2wnj s GLU 56 CO 0.00 -0.74 1.25 -0.65 -0.54 0.00 0.00 175.26 174.59 2wnj s GLN 57 N 1.32 4.32 -0.01 4.30 1.11 0.59 -3.09 119.66 128.20 2wnj s GLN 57 Ca -0.01 1.74 0.05 0.00 0.01 0.00 0.00 55.36 57.15 2wnj s GLN 57 Cb -0.20 -3.58 -0.01 0.00 -1.01 0.00 0.00 33.01 28.20 2wnj s GLN 57 CO 0.00 -0.50 -0.17 -0.65 0.01 0.00 0.00 175.29 173.98 2wnj s GLN 58 N 2.39 1.38 -0.09 2.91 -0.21 0.02 -1.70 119.66 124.36 2wnj s GLN 58 Ca 0.58 -0.62 -0.07 0.00 0.02 0.00 0.00 55.36 55.27 2wnj s GLN 58 Cb -0.26 -1.33 0.03 0.00 1.00 0.00 0.00 33.01 32.44 2wnj s GLN 58 CO 0.22 0.37 0.22 0.50 -2.12 0.00 0.00 175.29 174.48 2wnj s ARG 59 N -0.42 0.23 0.35 2.91 6.06 -0.65 -1.23 118.95 126.21 2wnj s ARG 59 Ca 0.07 0.37 -0.05 0.00 -2.50 0.00 0.00 55.73 53.61 2wnj s ARG 59 Cb -0.07 0.05 0.01 0.00 0.06 0.00 0.00 34.95 35.00 2wnj s ARG 59 CO -0.01 -0.07 0.53 1.67 -2.50 0.00 0.00 175.30 174.93 2wnj s TRP 60 N 0.46 0.90 -0.07 5.12 -2.14 -0.89 -0.60 118.94 121.74 2wnj s TRP 60 Ca -0.03 -1.21 -0.03 0.00 2.66 0.00 0.00 56.10 57.49 2wnj s TRP 60 Cb -0.04 0.08 0.04 0.00 -3.10 0.00 0.00 33.47 30.45 2wnj s TRP 60 CO -0.02 -1.22 0.14 0.21 -2.66 0.00 0.00 176.95 173.39 2wnj s LYS 61 N -2.90 0.06 -0.08 3.25 2.20 -1.26 0.13 119.74 121.14 2wnj s LYS 61 Ca 0.28 0.42 0.05 0.00 -0.36 0.00 0.00 55.97 56.35 2wnj s LYS 61 Cb -0.01 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.07 2wnj s LYS 61 CO 0.19 -0.22 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.21 2wnj s LEU 62 N 1.55 2.06 0.38 5.43 1.43 0.40 -4.94 118.68 124.99 2wnj s LEU 62 Ca -0.05 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.62 2wnj s LEU 62 Cb -0.12 -1.36 0.84 0.00 0.03 0.00 0.00 46.19 45.58 2wnj s LEU 62 CO -0.06 0.20 1.95 0.78 0.23 0.00 0.00 176.35 179.45 2wnj h ASN 63 N 6.40 0.58 0.68 2.29 4.21 -1.88 -2.10 115.58 125.76 2wnj h ASN 63 Ca -0.26 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2wnj h ASN 63 Cb 1.21 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 2wnj h ASN 63 CO 0.47 0.35 0.00 -1.54 -1.29 0.00 0.00 177.43 175.42 2wnj n SER 64 N -4.49 0.60 -1.39 5.81 3.41 -1.26 -1.86 113.62 114.44 2wnj n SER 64 Ca 0.12 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 2wnj n SER 64 Cb 0.32 -0.78 0.33 0.00 -0.26 0.00 0.00 64.21 63.82 2wnj n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wnj n LEU 65 N -2.17 4.05 -4.78 1.04 4.77 -0.79 -4.97 117.00 114.14 2wnj n LEU 65 Ca 0.02 -2.03 -0.36 0.00 -0.03 0.00 0.00 56.01 53.61 2wnj n LEU 65 Cb 0.22 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2wnj n LEU 65 CO 0.19 0.99 0.67 -0.04 -1.33 0.00 0.00 177.39 177.87 2wnj s MET 66 N -1.05 4.45 0.16 3.23 -1.94 -0.78 -4.00 119.30 119.37 2wnj s MET 66 Ca 0.50 1.36 -0.07 0.00 -1.71 0.00 0.00 55.69 55.78 2wnj s MET 66 Cb 0.26 -2.68 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 2wnj s MET 66 CO 0.33 0.14 0.23 1.67 -0.01 0.00 0.00 175.02 177.38 2wnj s TRP 67 N -1.68 0.57 -0.38 -0.03 -2.14 -0.71 -4.96 118.94 109.61 2wnj s TRP 67 Ca 0.53 -0.93 -0.18 0.00 2.66 0.00 0.00 56.10 58.19 2wnj s TRP 67 Cb -0.19 -0.19 0.00 0.00 -3.10 0.00 0.00 33.47 30.00 2wnj s TRP 67 CO 0.24 -0.68 0.50 0.34 -2.66 0.00 0.00 176.95 174.70 2wnj s ASP 68 N -3.01 6.28 0.52 -2.66 3.68 -1.26 -4.68 116.67 115.55 2wnj s ASP 68 Ca 0.21 -0.22 0.28 0.00 2.13 0.00 0.00 52.55 54.95 2wnj s ASP 68 Cb 0.04 -2.26 1.41 0.00 -1.45 0.00 0.00 42.92 40.67 2wnj s ASP 68 CO 0.02 -0.53 1.93 -0.65 0.13 0.00 0.00 175.17 176.07 2wnj h PRO 69 N 8.58 0.03 0.00 4.34 0.11 -1.93 -0.59 132.00 142.54 2wnj h PRO 69 Ca -0.27 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 2wnj h PRO 69 Cb 1.12 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wnj h PRO 69 CO 0.79 0.02 -0.08 -0.91 -0.21 0.00 0.00 178.00 177.61 2wnj h ASN 70 N 0.04 0.00 0.94 -2.05 -0.26 -1.92 0.30 115.58 112.63 2wnj h ASN 70 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 2wnj h ASN 70 Cb 1.37 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.63 2wnj h ASN 70 CO -0.02 0.08 0.00 -0.62 -1.06 0.00 0.00 177.43 175.82 2wnj n GLU 71 N -4.10 0.01 -2.68 0.81 1.02 -0.23 -4.18 120.64 111.28 2wnj n GLU 71 Ca -0.03 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2wnj n GLU 71 Cb 0.17 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.11 2wnj n GLU 71 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wnj n TYR 72 N -1.50 1.42 -2.76 -0.32 4.01 -0.77 -4.98 117.16 112.27 2wnj n TYR 72 Ca 0.07 -2.93 -0.20 0.00 -0.16 0.00 0.00 57.90 54.68 2wnj n TYR 72 Cb 0.32 -0.34 0.01 0.00 -0.31 0.00 0.00 39.34 39.01 2wnj n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wnj n GLY 73 N -0.09 -0.51 2.43 2.72 0.00 -1.20 -2.17 105.19 106.37 2wnj n GLY 73 Ca 0.15 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wnj n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wnj n ASN 74 N -2.17 -4.63 -4.71 1.61 3.02 0.97 -4.98 115.26 104.37 2wnj n ASN 74 Ca -0.14 0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 2wnj n ASN 74 Cb 0.63 -3.01 -0.03 0.00 -0.61 0.00 0.00 39.78 36.76 2wnj n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wnj s ILE 75 N -2.23 2.21 -0.13 2.41 1.01 -0.92 -4.89 121.20 118.65 2wnj s ILE 75 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.81 2wnj s ILE 75 Cb 0.00 -3.05 -0.12 0.00 0.01 0.00 0.00 42.46 39.30 2wnj s ILE 75 CO 0.00 0.00 0.25 0.35 0.00 0.00 0.00 174.94 175.54 2wnj n THR 76 N 4.16 0.00 -3.52 2.92 -2.24 -1.26 -4.31 114.28 110.04 2wnj n THR 76 Ca 0.16 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 2wnj n THR 76 Cb 0.36 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 2wnj n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wnj s ASP 77 N -2.65 -0.44 0.09 3.42 1.47 -1.26 -0.71 116.67 116.58 2wnj s ASP 77 Ca -0.01 -0.09 -0.17 0.00 1.18 0.00 0.00 52.55 53.45 2wnj s ASP 77 Cb 0.06 0.53 0.04 0.00 -0.34 0.00 0.00 42.92 43.21 2wnj s ASP 77 CO 0.36 -0.89 0.42 0.72 0.68 0.00 0.00 175.17 176.46 2wnj s PHE 78 N -3.52 -0.25 -0.02 2.11 -0.12 -0.02 -4.99 117.98 111.17 2wnj s PHE 78 Ca 0.04 0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.88 2wnj s PHE 78 Cb -0.02 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.58 2wnj s PHE 78 CO -0.09 -0.65 0.31 1.03 -0.05 0.00 0.00 175.22 175.77 2wnj s ARG 79 N -3.20 3.70 -0.04 1.99 3.00 -1.26 -0.74 118.95 122.40 2wnj s ARG 79 Ca -0.01 0.13 -0.14 0.00 0.00 0.00 0.00 55.73 55.71 2wnj s ARG 79 Cb 0.01 -3.15 0.03 0.00 0.00 0.00 0.00 34.95 31.83 2wnj s ARG 79 CO -0.08 0.69 0.32 -0.08 0.00 0.00 0.00 175.30 176.15 2wnj s THR 80 N -1.16 0.04 0.22 0.02 -1.32 -0.33 -4.99 115.64 108.13 2wnj s THR 80 Ca 0.23 -0.36 -0.31 0.00 -1.21 0.00 0.00 61.69 60.05 2wnj s THR 80 Cb -0.14 -0.58 -0.15 0.00 -1.51 0.00 0.00 72.50 70.11 2wnj s THR 80 CO 0.12 -0.20 1.09 -0.24 -2.21 0.00 0.00 174.62 173.18 2wnj n SER 81 N 1.67 1.27 0.30 8.08 2.88 -1.26 -0.78 113.62 125.77 2wnj n SER 81 Ca -0.19 1.16 0.19 0.00 -1.33 0.00 0.00 58.87 58.69 2wnj n SER 81 Cb 0.56 -1.24 0.93 0.00 -0.75 0.00 0.00 64.21 63.71 2wnj n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wnj h ALA 82 N 2.77 1.07 0.00 -1.46 0.00 -1.28 -1.15 119.26 119.22 2wnj h ALA 82 Ca -0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wnj h ALA 82 Cb 1.34 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wnj h ALA 82 CO 0.66 0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 2wnj h ALA 83 N 1.97 1.06 0.00 0.00 0.00 -1.89 -2.85 119.26 117.56 2wnj h ALA 83 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wnj h ALA 83 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wnj h ALA 83 CO 0.00 0.02 -0.02 -0.25 0.00 0.00 0.00 179.25 179.00 2wnj n ASP 84 N -3.19 0.64 -4.24 0.00 8.00 -0.43 -4.90 116.55 112.43 2wnj n ASP 84 Ca -0.02 0.54 -0.13 0.00 0.71 0.00 0.00 54.79 55.89 2wnj n ASP 84 Cb 0.16 -0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 2wnj n ASP 84 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wnj s ILE 85 N -3.08 0.80 0.37 0.53 -4.36 -1.08 -5.01 121.20 109.37 2wnj s ILE 85 Ca 0.11 -1.99 -0.27 0.00 -0.26 0.00 0.00 60.65 58.24 2wnj s ILE 85 Cb 0.14 -2.02 -0.10 0.00 1.25 0.00 0.00 42.46 41.73 2wnj s ILE 85 CO 0.59 -0.58 1.33 0.86 0.24 0.00 0.00 174.94 177.38 2wnj s TRP 86 N -3.57 2.88 0.03 1.37 -0.00 -1.26 -4.95 118.94 113.43 2wnj s TRP 86 Ca 0.21 1.38 0.01 0.00 -0.00 0.00 0.00 56.10 57.70 2wnj s TRP 86 Cb 0.05 -3.72 -0.02 0.00 -0.00 0.00 0.00 33.47 29.78 2wnj s TRP 86 CO 0.02 -2.12 -0.06 0.95 -0.00 0.00 0.00 176.95 175.74 2wnj s THR 87 N -1.19 0.39 0.50 5.86 -4.23 -1.26 -5.10 115.64 110.60 2wnj s THR 87 Ca 0.53 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 60.03 2wnj s THR 87 Cb -0.40 -0.44 -0.08 0.00 1.34 0.00 0.00 72.50 72.92 2wnj s THR 87 CO 0.53 -0.29 1.05 -2.16 -0.54 0.00 0.00 174.62 173.21 2wnj s PRO 88 N -1.17 3.71 -1.05 3.99 0.04 -1.26 -4.93 135.00 134.33 2wnj s PRO 88 Ca -0.08 1.40 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 2wnj s PRO 88 Cb -0.08 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.45 2wnj s PRO 88 CO -0.00 -0.51 2.61 -0.40 0.04 0.00 0.00 177.00 178.74 2wnj n ASP 89 N -1.06 7.56 -4.67 6.66 5.75 -1.26 -4.95 116.55 124.58 2wnj n ASP 89 Ca 0.10 -3.07 -0.42 0.00 -0.01 0.00 0.00 54.79 51.38 2wnj n ASP 89 Cb 0.52 -1.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.24 2wnj n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wnj s ILE 90 N -1.01 3.89 -0.02 2.12 -1.09 -1.26 -3.06 121.20 120.77 2wnj s ILE 90 Ca 0.58 1.14 0.03 0.00 -2.23 0.00 0.00 60.65 60.16 2wnj s ILE 90 Cb 0.24 -3.73 -0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2wnj s ILE 90 CO -0.12 -0.07 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.54 2wnj s THR 91 N 3.33 0.71 0.21 2.92 2.01 0.68 -4.90 115.64 120.61 2wnj s THR 91 Ca 0.64 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 2wnj s THR 91 Cb -0.28 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 2wnj s THR 91 CO 0.23 0.21 1.16 0.00 -0.69 0.00 0.00 174.62 175.53 2wnj s ALA 92 N -0.01 3.42 -1.90 7.40 0.00 -1.26 -1.46 121.76 127.95 2wnj s ALA 92 Ca 0.00 0.92 0.27 0.00 0.00 0.00 0.00 51.96 53.15 2wnj s ALA 92 Cb -0.06 -3.38 0.83 0.00 0.00 0.00 0.00 23.12 20.52 2wnj s ALA 92 CO -0.00 -0.29 1.61 0.66 0.00 0.00 0.00 175.76 177.74 2wnj n TYR 93 N 2.06 0.00 -2.72 0.00 4.02 0.59 -4.09 117.16 117.01 2wnj n TYR 93 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 2wnj n TYR 93 Cb 0.45 -0.10 0.05 0.00 -0.02 0.00 0.00 39.34 39.72 2wnj n TYR 93 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wnj n SER 94 N -0.49 1.03 -4.77 7.72 3.41 -1.26 -5.00 113.62 114.26 2wnj n SER 94 Ca 0.14 -2.04 -0.33 0.00 -0.26 0.00 0.00 58.87 56.38 2wnj n SER 94 Cb 0.35 -0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.06 2wnj n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wnj s SER 95 N -3.06 5.08 0.00 4.04 1.04 -1.26 -1.51 113.70 118.04 2wnj s SER 95 Ca 0.26 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.69 2wnj s SER 95 Cb 0.34 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.91 2wnj s SER 95 CO -0.07 -1.65 0.54 0.35 0.98 0.00 0.00 173.24 173.39 2wnj n THR 96 N -2.45 0.13 -3.73 2.02 -2.24 -0.02 -4.81 114.28 103.19 2wnj n THR 96 Ca 0.10 -0.54 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 2wnj n THR 96 Cb 0.52 0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 2wnj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wnj s ARG 97 N -0.13 0.93 0.37 -0.78 0.52 -1.25 -5.04 118.95 113.56 2wnj s ARG 97 Ca 0.00 -0.70 -0.28 0.00 -0.52 0.00 0.00 55.73 54.23 2wnj s ARG 97 Cb 0.00 0.40 -0.11 0.00 0.52 0.00 0.00 34.95 35.76 2wnj s ARG 97 CO 0.00 -0.33 1.47 -2.30 0.02 0.00 0.00 175.30 174.17 2wnj n PRO 98 N 0.07 2.62 -1.74 3.54 -0.02 -1.26 -4.68 135.00 133.52 2wnj n PRO 98 Ca -0.17 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 2wnj n PRO 98 Cb 0.62 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2wnj n PRO 98 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wnj n VAL 99 N 0.55 2.78 -4.05 -1.45 0.31 -1.26 -4.86 118.33 110.35 2wnj n VAL 99 Ca 0.02 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.50 2wnj n VAL 99 Cb 0.38 -1.76 -0.11 0.00 -0.91 0.00 0.00 33.84 31.44 2wnj n VAL 99 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2wnj s GLN 100 N -2.40 3.77 -0.08 5.55 -0.21 -0.57 -4.98 119.66 120.73 2wnj s GLN 100 Ca 0.62 -0.45 -0.23 0.00 0.02 0.00 0.00 55.36 55.32 2wnj s GLN 100 Cb -0.46 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 2wnj s GLN 100 CO 0.57 0.11 0.69 0.08 -2.12 0.00 0.00 175.29 174.62 2wnj s VAL 101 N 0.79 5.04 -0.92 1.09 1.01 -1.26 -1.15 120.40 125.00 2wnj s VAL 101 Ca 0.02 1.42 0.14 0.00 0.00 0.00 0.00 61.98 63.55 2wnj s VAL 101 Cb -0.14 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2wnj s VAL 101 CO 0.02 0.23 0.67 0.18 0.00 0.00 0.00 175.10 176.20 2wnj n LEU 102 N 3.94 0.99 -4.40 3.92 4.77 0.34 -4.98 117.00 121.57 2wnj n LEU 102 Ca -0.01 -0.60 -0.20 0.00 -0.03 0.00 0.00 56.01 55.16 2wnj n LEU 102 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 2wnj n LEU 102 CO 0.47 0.21 -0.38 -0.94 -1.33 0.00 0.00 177.39 175.42 2wnj s SER 103 N -2.09 2.67 0.49 -1.43 1.04 -1.24 -4.92 113.70 108.22 2wnj s SER 103 Ca 0.08 -1.15 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 2wnj s SER 103 Cb 0.11 -0.15 -0.07 0.00 0.10 0.00 0.00 66.02 66.01 2wnj s SER 103 CO 0.49 -0.31 1.33 -2.65 0.98 0.00 0.00 173.24 173.08 2wnj n PRO 104 N -0.53 1.86 -3.41 4.02 -0.02 -1.26 -4.84 135.00 130.82 2wnj n PRO 104 Ca -0.06 0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 61.66 2wnj n PRO 104 Cb 0.63 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2wnj n PRO 104 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2wnj s GLN 105 N -2.57 3.74 -0.03 -0.52 -0.21 -1.26 -4.88 119.66 113.93 2wnj s GLN 105 Ca 0.66 -2.94 0.02 0.00 0.02 0.00 0.00 55.36 53.12 2wnj s GLN 105 Cb -0.45 -4.36 0.01 0.00 1.00 0.00 0.00 33.01 29.21 2wnj s GLN 105 CO 0.54 -1.25 -0.07 0.42 -2.12 0.00 0.00 175.29 172.80 2wnj s ILE 106 N -0.74 0.67 0.28 1.08 1.01 -1.26 -0.77 121.20 121.47 2wnj s ILE 106 Ca 0.25 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.71 2wnj s ILE 106 Cb -0.10 -0.63 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2wnj s ILE 106 CO -0.09 0.23 0.09 0.00 0.00 0.00 0.00 174.94 175.17 2wnj s ALA 107 N 0.41 3.37 -0.21 9.38 0.00 0.04 -4.56 121.76 130.19 2wnj s ALA 107 Ca -0.06 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 50.24 2wnj s ALA 107 Cb -0.10 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2wnj s ALA 107 CO 0.00 0.21 -0.05 0.08 0.00 0.00 0.00 175.76 176.00 2wnj s VAL 108 N -2.29 3.37 -0.14 0.00 1.01 -0.27 -1.18 120.40 120.90 2wnj s VAL 108 Ca 0.33 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2wnj s VAL 108 Cb -0.06 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2wnj s VAL 108 CO 0.22 0.44 -0.02 -0.69 0.00 0.00 0.00 175.10 175.05 2wnj s VAL 109 N 1.27 4.07 0.18 2.92 1.01 0.08 -1.14 120.40 128.79 2wnj s VAL 109 Ca 0.03 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.78 2wnj s VAL 109 Cb -0.14 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2wnj s VAL 109 CO -0.02 0.52 -0.00 -0.89 0.00 0.00 0.00 175.10 174.71 2wnj s THR 110 N 0.03 3.69 0.61 3.92 2.01 0.41 -0.84 115.64 125.47 2wnj s THR 110 Ca 0.01 -1.44 0.34 0.00 0.31 0.00 0.00 61.69 60.91 2wnj s THR 110 Cb -0.13 -2.86 0.38 0.00 0.01 0.00 0.00 72.50 69.90 2wnj s THR 110 CO 0.02 -0.11 2.29 1.12 -0.69 0.00 0.00 174.62 177.24 2wnj h HIS 111 N 2.70 0.00 0.00 4.92 2.07 -1.23 0.34 115.15 123.95 2wnj h HIS 111 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wnj h HIS 111 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 2wnj h HIS 111 CO 0.63 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.09 2wnj n ASP 112 N -3.64 0.00 0.00 3.10 5.75 -1.26 -1.74 116.55 118.76 2wnj n ASP 112 Ca -0.03 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 2wnj n ASP 112 Cb 0.08 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2wnj n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wnj n GLY 113 N 0.57 0.75 3.81 6.12 0.00 0.12 -4.74 105.19 111.82 2wnj n GLY 113 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2wnj n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnj s SER 114 N -2.49 7.11 -0.03 1.61 1.04 -1.21 -0.45 113.70 119.28 2wnj s SER 114 Ca 0.00 1.63 0.04 0.00 0.48 0.00 0.00 55.95 58.10 2wnj s SER 114 Cb 0.00 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 2wnj s SER 114 CO 0.00 -0.12 -0.14 -0.69 0.98 0.00 0.00 173.24 173.26 2wnj s VAL 115 N -1.76 1.18 -0.08 5.02 1.01 0.12 -0.45 120.40 125.44 2wnj s VAL 115 Ca 0.51 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2wnj s VAL 115 Cb -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.23 2wnj s VAL 115 CO 0.20 0.34 -0.18 -0.04 0.00 0.00 0.00 175.10 175.42 2wnj s MET 116 N -0.08 2.32 -0.06 2.72 -1.94 -0.29 -2.10 119.30 119.87 2wnj s MET 116 Ca 0.00 -0.64 -0.02 0.00 -1.71 0.00 0.00 55.69 53.32 2wnj s MET 116 Cb -0.09 -1.82 0.04 0.00 2.01 0.00 0.00 34.83 34.97 2wnj s MET 116 CO 0.01 0.11 0.11 0.12 -0.01 0.00 0.00 175.02 175.36 2wnj s PHE 117 N 0.47 -0.09 -0.59 -0.03 5.36 -0.36 -1.11 117.98 121.63 2wnj s PHE 117 Ca -0.16 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.28 2wnj s PHE 117 Cb -0.16 -0.25 0.20 0.00 -0.34 0.00 0.00 43.02 42.46 2wnj s PHE 117 CO 0.06 -0.19 0.52 -0.89 -1.46 0.00 0.00 175.22 173.26 2wnj n ILE 118 N 4.79 0.91 -2.38 3.12 5.41 -1.26 -0.80 119.36 129.15 2wnj n ILE 118 Ca -0.15 -4.54 -0.42 0.00 1.00 0.00 0.00 62.75 58.64 2wnj n ILE 118 Cb 0.50 -2.02 -0.03 0.00 -0.71 0.00 0.00 39.64 37.38 2wnj n ILE 118 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wnj s PRO 119 N -1.34 4.40 0.06 0.38 0.04 -1.18 -4.76 135.00 132.60 2wnj s PRO 119 Ca 0.31 1.82 -0.22 0.00 0.04 0.00 0.00 61.00 62.95 2wnj s PRO 119 Cb 0.05 -3.36 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 2wnj s PRO 119 CO -0.13 -0.31 0.64 0.00 0.04 0.00 0.00 177.00 177.24 2wnj s ALA 120 N 1.21 3.50 0.02 8.56 0.00 -1.26 -1.00 121.76 132.79 2wnj s ALA 120 Ca 0.60 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 2wnj s ALA 120 Cb -0.30 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2wnj s ALA 120 CO 0.29 0.25 -0.02 -0.65 0.00 0.00 0.00 175.76 175.63 2wnj s GLN 121 N -0.65 0.29 -0.17 0.00 -0.21 -0.09 -0.50 119.66 118.32 2wnj s GLN 121 Ca 0.32 -0.54 -0.04 0.00 0.02 0.00 0.00 55.36 55.12 2wnj s GLN 121 Cb -0.20 0.10 -0.03 0.00 1.00 0.00 0.00 33.01 33.89 2wnj s GLN 121 CO 0.20 -0.05 -0.03 0.50 -2.12 0.00 0.00 175.29 173.80 2wnj s ARG 122 N -1.31 3.66 -0.09 2.91 3.52 -0.30 -1.70 118.95 125.65 2wnj s ARG 122 Ca -0.14 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 2wnj s ARG 122 Cb -0.09 -2.96 0.01 0.00 -1.56 0.00 0.00 34.95 30.35 2wnj s ARG 122 CO -0.01 0.19 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.34 2wnj s LEU 123 N 0.51 1.78 -0.20 -0.88 2.96 -0.05 -1.51 118.68 121.30 2wnj s LEU 123 Ca -0.03 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 2wnj s LEU 123 Cb -0.14 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 2wnj s LEU 123 CO 0.03 0.06 0.18 -0.44 -1.32 0.00 0.00 176.35 174.86 2wnj s SER 124 N 0.69 6.25 0.16 3.68 0.01 -1.26 -0.86 113.70 122.37 2wnj s SER 124 Ca -0.13 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 2wnj s SER 124 Cb -0.16 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2wnj s SER 124 CO 0.03 0.13 0.16 0.72 0.41 0.00 0.00 173.24 174.69 2wnj s PHE 125 N 0.54 0.73 -0.16 2.43 -0.12 -0.36 -0.84 117.98 120.21 2wnj s PHE 125 Ca 0.10 -1.08 -0.29 0.00 -0.05 0.00 0.00 56.93 55.61 2wnj s PHE 125 Cb -0.12 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 41.91 2wnj s PHE 125 CO 0.01 -0.62 1.49 -1.64 -0.05 0.00 0.00 175.22 174.40 2wnj s MET 126 N -4.04 4.07 -0.29 1.99 -1.94 -0.57 -1.41 119.30 117.12 2wnj s MET 126 Ca 0.24 1.79 -0.14 0.00 -1.71 0.00 0.00 55.69 55.87 2wnj s MET 126 Cb 0.06 -3.92 0.11 0.00 2.01 0.00 0.00 34.83 33.09 2wnj s MET 126 CO 0.03 -0.95 0.74 0.00 -0.01 0.00 0.00 175.02 174.83 2wnj s ASP 128 N 2.14 6.28 0.00 0.00 2.15 -1.26 -3.31 116.67 122.66 2wnj s ASP 128 Ca -0.08 -0.48 0.05 0.00 0.43 0.00 0.00 52.55 52.48 2wnj s ASP 128 Cb -0.07 -2.29 0.23 0.00 -0.30 0.00 0.00 42.92 40.49 2wnj s ASP 128 CO -0.19 -0.72 1.16 -0.81 -0.17 0.00 0.00 175.17 174.44 2wnj n PRO 129 N 6.04 1.21 -1.57 4.34 -0.04 -1.26 -4.69 135.00 139.04 2wnj n PRO 129 Ca -0.04 -0.32 -0.52 0.00 -0.04 0.00 0.00 63.50 62.58 2wnj n PRO 129 Cb 0.48 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.77 2wnj n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wnj n THR 130 N -0.27 0.25 -0.04 0.52 -1.04 -1.26 -0.72 114.28 111.71 2wnj n THR 130 Ca 0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2wnj n THR 130 Cb 0.09 -0.67 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 2wnj n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wnj n GLY 131 N 2.22 0.79 0.26 3.41 0.00 -1.26 -4.36 105.19 106.25 2wnj n GLY 131 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 2wnj n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnj h VAL 132 N 0.00 0.95 -0.52 1.61 3.04 -1.12 -0.61 116.25 119.60 2wnj h VAL 132 Ca 0.00 -0.03 -0.23 0.00 -1.01 0.00 0.00 66.70 65.43 2wnj h VAL 132 Cb 0.00 1.02 -0.14 0.00 -2.01 0.00 0.00 31.29 30.16 2wnj h VAL 132 CO 0.00 0.01 0.30 -0.90 -1.01 0.00 0.00 177.57 175.96 2wnj n ASP 133 N -4.45 3.49 -4.41 3.17 5.75 -1.26 -0.76 116.55 118.09 2wnj n ASP 133 Ca -0.03 -2.84 -0.20 0.00 -0.01 0.00 0.00 54.79 51.71 2wnj n ASP 133 Cb 0.10 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.41 2wnj n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wnj s SER 134 N -0.34 2.23 0.30 -1.12 1.04 -0.25 -5.00 113.70 110.57 2wnj s SER 134 Ca 0.32 -1.31 -0.01 0.00 0.48 0.00 0.00 55.95 55.44 2wnj s SER 134 Cb 0.27 -0.06 0.47 0.00 0.10 0.00 0.00 66.02 66.80 2wnj s SER 134 CO 0.07 -0.55 1.94 -0.08 0.98 0.00 0.00 173.24 175.61 2wnj h GLU 135 N 2.25 0.98 0.00 4.02 4.81 -1.90 -2.49 114.58 122.25 2wnj h GLU 135 Ca -0.40 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 58.66 2wnj h GLU 135 Cb 1.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 2wnj h GLU 135 CO 0.67 0.69 -0.38 1.05 -0.73 0.00 0.00 179.01 180.32 2wnj h GLU 136 N 1.00 0.00 0.00 1.92 9.09 -1.96 -3.49 114.58 121.13 2wnj h GLU 136 Ca 0.26 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.68 2wnj h GLU 136 Cb -0.03 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.07 2wnj h GLU 136 CO -0.05 0.38 -0.01 0.41 0.05 0.00 0.00 179.01 179.79 2wnj n GLY 137 N 0.94 -1.87 3.81 1.06 0.00 -0.94 -4.84 105.19 103.36 2wnj n GLY 137 Ca 0.02 -1.34 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 2wnj n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnj s ALA 138 N -1.24 3.57 -0.07 4.61 0.00 0.64 -4.37 121.76 124.89 2wnj s ALA 138 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2wnj s ALA 138 Cb 0.00 -1.30 0.02 0.00 0.00 0.00 0.00 23.12 21.84 2wnj s ALA 138 CO 0.00 0.30 -0.10 0.99 0.00 0.00 0.00 175.76 176.95 2wnj s THR 139 N -2.06 1.02 0.18 0.00 2.01 -1.26 -1.03 115.64 114.50 2wnj s THR 139 Ca 0.32 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 61.98 2wnj s THR 139 Cb -0.08 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 2wnj s THR 139 CO 0.24 0.34 -0.04 0.00 -0.69 0.00 0.00 174.62 174.48 2wnj s ALA 141 N -3.47 -0.48 -0.13 0.00 0.00 -1.26 -0.55 121.76 115.88 2wnj s ALA 141 Ca 0.22 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 2wnj s ALA 141 Cb 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.13 2wnj s ALA 141 CO 0.04 -0.17 0.31 0.54 0.00 0.00 0.00 175.76 176.48 2wnj s VAL 142 N -0.77 -0.03 -0.04 0.00 0.11 -0.16 -4.92 120.40 114.59 2wnj s VAL 142 Ca -0.09 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 2wnj s VAL 142 Cb -0.05 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 2wnj s VAL 142 CO 0.01 0.04 0.41 -0.54 -3.33 0.00 0.00 175.10 171.70 2wnj s LYS 143 N 1.03 4.04 -0.12 1.54 1.02 -1.26 -0.79 119.74 125.20 2wnj s LYS 143 Ca -0.07 0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.34 2wnj s LYS 143 Cb -0.08 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 33.95 2wnj s LYS 143 CO -0.08 0.54 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.63 2wnj s PHE 144 N -0.58 2.67 0.17 3.18 0.08 -0.24 -0.30 117.98 122.96 2wnj s PHE 144 Ca 0.24 -1.03 -0.24 0.00 0.12 0.00 0.00 56.93 56.01 2wnj s PHE 144 Cb -0.16 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.56 2wnj s PHE 144 CO 0.12 -0.43 0.94 0.20 -0.10 0.00 0.00 175.22 175.94 2wnj s GLY 145 N 0.52 -0.21 0.37 4.36 0.00 -0.54 -0.55 107.32 111.28 2wnj s GLY 145 Ca -0.13 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.40 2wnj s GLY 145 CO 0.05 0.01 1.12 -1.26 0.00 0.00 0.00 173.10 173.02 2wnj n SER 146 N -0.48 1.83 -0.02 1.64 2.88 -1.26 -0.23 113.62 117.97 2wnj n SER 146 Ca -0.06 1.12 -0.19 0.00 -1.33 0.00 0.00 58.87 58.41 2wnj n SER 146 Cb 0.60 -1.39 -0.13 0.00 -0.75 0.00 0.00 64.21 62.54 2wnj n SER 146 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2wnj h TRP 147 N 1.96 0.27 0.00 0.66 2.91 -1.88 -3.42 115.95 116.44 2wnj h TRP 147 Ca -0.44 -0.19 0.00 0.00 1.13 0.00 0.00 58.89 59.38 2wnj h TRP 147 Cb 1.32 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 2wnj h TRP 147 CO 0.47 1.33 -1.15 1.33 -1.03 0.00 0.00 178.44 179.39 2wnj n VAL 148 N -4.25 0.00 -4.18 2.65 0.24 -1.26 -4.91 118.33 106.62 2wnj n VAL 148 Ca -0.19 -0.13 -0.34 0.00 -2.04 0.00 0.00 64.34 61.63 2wnj n VAL 148 Cb 0.73 0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 33.76 2wnj n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2wnj s TYR 149 N -2.98 3.02 1.02 6.34 2.02 -1.26 -5.11 117.35 120.40 2wnj s TYR 149 Ca 0.04 -0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 56.11 2wnj s TYR 149 Cb 0.14 -2.04 0.21 0.00 -0.40 0.00 0.00 41.96 39.88 2wnj s TYR 149 CO 0.81 -0.21 1.26 -1.54 -1.57 0.00 0.00 175.55 174.30 2wnj s SER 150 N 0.85 2.62 0.61 2.29 1.04 -1.26 -4.63 113.70 115.21 2wnj s SER 150 Ca -0.00 0.41 0.39 0.00 0.48 0.00 0.00 55.95 57.23 2wnj s SER 150 Cb -0.14 -0.54 2.12 0.00 0.10 0.00 0.00 66.02 67.55 2wnj s SER 150 CO 0.02 -3.05 2.19 1.23 0.98 0.00 0.00 173.24 174.61 2wnj h GLY 151 N -1.86 0.00 2.00 7.32 0.00 -0.71 0.19 103.07 110.01 2wnj h GLY 151 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wnj h GLY 151 CO 0.39 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.67 2wnj h PHE 152 N 0.00 0.00 0.00 5.60 0.04 -1.92 -3.37 116.94 117.29 2wnj h PHE 152 Ca 0.00 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 2wnj h PHE 152 Cb 0.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2wnj h PHE 152 CO 0.00 0.00 -1.56 0.39 -0.60 0.00 0.00 178.31 176.54 2wnj n GLU 153 N -2.31 0.23 -4.04 1.51 4.71 -0.09 -4.08 120.64 116.56 2wnj n GLU 153 Ca 0.05 0.08 -0.28 0.00 -0.01 0.00 0.00 57.16 56.99 2wnj n GLU 153 Cb 0.42 -1.02 -0.17 0.00 -1.01 0.00 0.00 31.44 29.66 2wnj n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wnj s ILE 154 N -2.19 1.32 0.23 -3.67 1.01 -0.36 -0.89 121.20 116.65 2wnj s ILE 154 Ca -0.14 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.10 2wnj s ILE 154 Cb 0.04 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2wnj s ILE 154 CO 0.20 0.42 0.16 -0.62 0.00 0.00 0.00 174.94 175.09 2wnj s ASP 155 N 1.49 5.42 0.21 3.58 -1.08 -0.22 -3.82 116.67 122.25 2wnj s ASP 155 Ca 0.03 -0.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.89 2wnj s ASP 155 Cb -0.13 -1.36 -0.05 0.00 -1.46 0.00 0.00 42.92 39.93 2wnj s ASP 155 CO -0.08 -0.00 -0.16 -0.76 0.52 0.00 0.00 175.17 174.69 2wnj s LEU 156 N -3.59 2.53 0.13 -1.34 1.43 -1.26 -0.79 118.68 115.79 2wnj s LEU 156 Ca 0.32 -0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 52.28 2wnj s LEU 156 Cb -0.08 -0.78 0.04 0.00 0.03 0.00 0.00 46.19 45.40 2wnj s LEU 156 CO 0.24 -0.10 0.41 -1.59 0.23 0.00 0.00 176.35 175.53 2wnj s LYS 157 N -3.41 1.07 0.19 1.70 -2.85 -0.72 -4.90 119.74 110.81 2wnj s LYS 157 Ca 0.22 -0.70 0.11 0.00 -1.00 0.00 0.00 55.97 54.60 2wnj s LYS 157 Cb -0.03 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 2wnj s LYS 157 CO 0.08 -0.42 -0.20 0.95 0.10 0.00 0.00 175.35 175.86 2wnj s THR 158 N -3.79 2.57 -0.18 3.79 -4.23 -1.26 -0.55 115.64 111.99 2wnj s THR 158 Ca 0.03 -1.93 0.18 0.00 -1.18 0.00 0.00 61.69 58.79 2wnj s THR 158 Cb 0.02 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2wnj s THR 158 CO -0.12 -0.11 1.11 0.44 -0.54 0.00 0.00 174.62 175.40 2wnj h ASP 159 N 3.14 0.00 -5.11 3.99 3.32 -1.98 -3.48 116.42 116.31 2wnj h ASP 159 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 2wnj h ASP 159 Cb 1.21 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 2wnj h ASP 159 CO 0.49 0.39 -0.16 0.28 -1.72 0.00 0.00 179.24 178.53 2wnj s THR 160 N -3.05 0.08 -2.41 0.35 -1.32 -1.26 -5.03 115.64 103.00 2wnj s THR 160 Ca 0.00 -0.80 0.22 0.00 -1.21 0.00 0.00 61.69 59.91 2wnj s THR 160 Cb 0.08 -1.29 0.43 0.00 -1.51 0.00 0.00 72.50 70.21 2wnj s THR 160 CO 0.78 -0.39 1.45 -0.90 -2.21 0.00 0.00 174.62 173.35 2wnj n ASP 161 N -0.19 2.77 -4.56 8.08 5.75 -1.26 -4.80 116.55 122.34 2wnj n ASP 161 Ca -0.15 -1.89 -0.40 0.00 -0.01 0.00 0.00 54.79 52.34 2wnj n ASP 161 Cb 0.63 -0.19 -0.09 0.00 -1.03 0.00 0.00 41.12 40.44 2wnj n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2wnj s GLN 162 N -1.62 3.71 0.33 0.11 -1.52 -1.26 -0.70 119.66 118.72 2wnj s GLN 162 Ca 0.36 -0.27 -0.29 0.00 -1.95 0.00 0.00 55.36 53.21 2wnj s GLN 162 Cb 0.21 -3.76 -0.11 0.00 -0.22 0.00 0.00 33.01 29.13 2wnj s GLN 162 CO 0.29 -0.45 1.55 0.08 -0.25 0.00 0.00 175.29 176.52 2wnj s VAL 163 N 2.05 2.04 -0.26 1.09 1.01 -0.87 -4.87 120.40 120.58 2wnj s VAL 163 Ca 0.13 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2wnj s VAL 163 Cb -0.16 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 2wnj s VAL 163 CO 0.11 0.01 1.37 -0.62 0.00 0.00 0.00 175.10 175.97 2wnj s ASP 164 N 0.23 6.64 0.00 3.32 -1.08 -0.63 -4.85 116.67 120.29 2wnj s ASP 164 Ca 0.59 1.37 0.15 0.00 -0.52 0.00 0.00 52.55 54.13 2wnj s ASP 164 Cb -0.47 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 38.71 2wnj s ASP 164 CO 0.55 -1.08 1.16 0.18 0.52 0.00 0.00 175.17 176.49 2wnj n LEU 165 N 7.67 2.74 0.30 -1.34 4.77 -1.26 -1.88 117.00 128.00 2wnj n LEU 165 Ca 0.16 -1.49 0.19 0.00 -0.03 0.00 0.00 56.01 54.84 2wnj n LEU 165 Cb 0.46 -0.15 0.94 0.00 -2.33 0.00 0.00 43.42 42.33 2wnj n LEU 165 CO 0.63 0.61 1.08 0.77 -1.33 0.00 0.00 177.39 179.14 2wnj h SER 166 N 2.83 0.00 -0.37 -1.43 4.64 -1.88 -1.49 113.55 115.84 2wnj h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnj h SER 166 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2wnj h SER 166 CO 0.00 0.01 0.00 -1.20 -0.87 0.00 0.00 176.83 174.77 2wnj n SER 167 N -3.15 3.30 -4.73 4.97 7.64 -1.26 -5.03 113.62 115.35 2wnj n SER 167 Ca -0.01 -2.23 -0.42 0.00 1.01 0.00 0.00 58.87 57.22 2wnj n SER 167 Cb 0.19 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 2wnj n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnj s TYR 168 N -1.42 3.03 0.03 1.43 5.04 -0.56 -4.64 117.35 120.25 2wnj s TYR 168 Ca 0.30 0.87 -0.30 0.00 -2.44 0.00 0.00 57.07 55.50 2wnj s TYR 168 Cb 0.19 -3.86 -0.08 0.00 0.35 0.00 0.00 41.96 38.55 2wnj s TYR 168 CO 0.16 -2.97 1.88 -0.47 -1.34 0.00 0.00 175.55 172.81 2wnj s TYR 169 N 0.47 1.52 0.19 4.97 5.04 0.69 -4.86 117.35 125.37 2wnj s TYR 169 Ca 0.64 -0.27 0.31 0.00 -2.44 0.00 0.00 57.07 55.30 2wnj s TYR 169 Cb -0.43 -4.16 1.33 0.00 0.35 0.00 0.00 41.96 39.05 2wnj s TYR 169 CO 0.38 -5.12 1.98 0.00 -1.34 0.00 0.00 175.55 171.45 2wnj h ALA 170 N 10.16 1.04 -0.26 3.97 0.00 -1.90 -2.78 119.26 129.50 2wnj h ALA 170 Ca -0.47 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 2wnj h ALA 170 Cb 1.22 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 2wnj h ALA 170 CO 0.94 0.10 -0.08 0.43 0.00 0.00 0.00 179.25 180.64 2wnj n SER 171 N -3.25 2.77 -4.60 0.00 7.64 -1.26 -5.03 113.62 109.89 2wnj n SER 171 Ca -0.00 -3.51 -0.36 0.00 1.01 0.00 0.00 58.87 56.00 2wnj n SER 171 Cb 0.31 -0.58 0.07 0.00 -1.01 0.00 0.00 64.21 63.01 2wnj n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wnj n SER 172 N -1.00 0.46 0.29 6.43 2.88 -1.05 -4.89 113.62 116.74 2wnj n SER 172 Ca 0.27 0.71 0.17 0.00 -1.33 0.00 0.00 58.87 58.69 2wnj n SER 172 Cb 0.93 -1.39 0.89 0.00 -0.75 0.00 0.00 64.21 63.89 2wnj n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wnj h LYS 173 N 0.00 0.00 -5.52 -1.46 1.79 -1.90 -3.43 116.57 106.06 2wnj h LYS 173 Ca -0.48 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.31 2wnj h LYS 173 Cb 1.35 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.67 2wnj h LYS 173 CO 0.48 0.05 -0.88 0.71 -1.08 0.00 0.00 179.45 178.73 2wnj s TYR 174 N -4.13 2.50 0.12 -1.35 2.02 -1.26 -1.11 117.35 114.13 2wnj s TYR 174 Ca -0.03 -0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 55.64 2wnj s TYR 174 Cb 0.13 -1.66 -0.06 0.00 -0.40 0.00 0.00 41.96 39.96 2wnj s TYR 174 CO 0.52 -0.36 0.43 -1.83 -1.57 0.00 0.00 175.55 172.74 2wnj s GLU 175 N 0.20 3.75 -0.26 -0.62 -1.05 0.90 -4.81 118.70 116.81 2wnj s GLU 175 Ca -0.14 0.15 -0.19 0.00 -0.15 0.00 0.00 54.97 54.64 2wnj s GLU 175 Cb -0.17 -2.91 -0.02 0.00 -0.44 0.00 0.00 34.13 30.59 2wnj s GLU 175 CO 0.07 0.50 0.56 0.42 0.95 0.00 0.00 175.26 177.76 2wnj s ILE 176 N -1.52 5.03 -0.06 1.83 -1.09 -1.26 -1.57 121.20 122.56 2wnj s ILE 176 Ca 0.37 0.97 -0.14 0.00 -2.23 0.00 0.00 60.65 59.63 2wnj s ILE 176 Cb -0.13 -3.87 -0.30 0.00 -1.58 0.00 0.00 42.46 36.57 2wnj s ILE 176 CO 0.20 0.06 0.67 -0.07 -1.23 0.00 0.00 174.94 174.57 2wnj h LEU 177 N 8.85 0.55 -7.00 2.97 3.38 -0.95 -3.49 115.31 119.62 2wnj h LEU 177 Ca -0.28 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 56.76 2wnj h LEU 177 Cb 1.13 -0.18 -0.17 0.00 0.09 0.00 0.00 40.66 41.54 2wnj h LEU 177 CO 0.74 1.70 0.25 -0.94 0.09 0.00 0.00 178.44 180.28 2wnj s SER 178 N -7.21 -0.58 -0.18 -0.43 1.04 -0.98 -4.98 113.70 100.37 2wnj s SER 178 Ca -0.17 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.60 2wnj s SER 178 Cb 0.05 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.79 2wnj s SER 178 CO 0.83 -0.71 0.34 0.00 0.98 0.00 0.00 173.24 174.68 2wnj s ALA 179 N -2.24 -0.88 0.20 5.32 0.00 -1.25 -0.63 121.76 122.28 2wnj s ALA 179 Ca -0.05 1.11 0.09 0.00 0.00 0.00 0.00 51.96 53.11 2wnj s ALA 179 Cb -0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 2wnj s ALA 179 CO -0.00 -0.85 -0.17 0.95 0.00 0.00 0.00 175.76 175.68 2wnj s THR 180 N 2.52 1.92 -0.14 0.00 -4.23 -0.18 -2.05 115.64 113.48 2wnj s THR 180 Ca 0.03 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 2wnj s THR 180 Cb -0.13 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.76 2wnj s THR 180 CO -0.12 -0.42 0.04 0.00 -0.54 0.00 0.00 174.62 173.58 2wnj s GLN 181 N -3.21 0.40 -0.09 3.99 -2.07 0.13 -1.24 119.66 117.56 2wnj s GLN 181 Ca 0.21 -0.10 0.01 0.00 -1.82 0.00 0.00 55.36 53.66 2wnj s GLN 181 Cb -0.04 -1.54 0.02 0.00 -1.09 0.00 0.00 33.01 30.36 2wnj s GLN 181 CO 0.08 -0.52 -0.11 0.99 -1.32 0.00 0.00 175.29 174.41 2wnj s THR 182 N 2.00 1.14 0.30 3.63 2.01 -0.52 -4.27 115.64 119.93 2wnj s THR 182 Ca 0.02 -0.43 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2wnj s THR 182 Cb -0.15 -1.08 -0.11 0.00 0.01 0.00 0.00 72.50 71.17 2wnj s THR 182 CO -0.07 0.37 1.54 -0.60 -0.69 0.00 0.00 174.62 175.17 2wnj s ARG 183 N 1.10 4.15 0.02 4.92 3.52 -1.26 -0.47 118.95 130.93 2wnj s ARG 183 Ca -0.06 2.52 0.02 0.00 -0.13 0.00 0.00 55.73 58.08 2wnj s ARG 183 Cb -0.14 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.20 2wnj s ARG 183 CO -0.02 -0.56 -0.07 -0.65 -0.81 0.00 0.00 175.30 173.19 2wnj s GLN 184 N -0.86 0.50 -0.39 5.12 -0.21 0.12 -4.92 119.66 119.02 2wnj s GLN 184 Ca 0.60 -0.48 -0.14 0.00 0.02 0.00 0.00 55.36 55.36 2wnj s GLN 184 Cb -0.46 -0.38 0.02 0.00 1.00 0.00 0.00 33.01 33.19 2wnj s GLN 184 CO 0.50 0.09 0.27 0.08 -2.12 0.00 0.00 175.29 174.11 2wnj s VAL 185 N -0.75 5.09 -0.14 1.09 1.01 -1.26 -1.14 120.40 124.30 2wnj s VAL 185 Ca -0.04 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2wnj s VAL 185 Cb -0.06 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2wnj s VAL 185 CO 0.00 -0.24 0.07 -1.10 0.00 0.00 0.00 175.10 173.83 2wnj s GLN 186 N 1.65 3.59 -0.25 2.72 -1.52 0.82 -4.94 119.66 121.74 2wnj s GLN 186 Ca 0.04 -0.29 -0.07 0.00 -1.95 0.00 0.00 55.36 53.10 2wnj s GLN 186 Cb -0.19 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.46 2wnj s GLN 186 CO 0.09 0.53 0.06 -1.01 -0.25 0.00 0.00 175.29 174.72 2wnj s HIS 187 N -0.35 3.08 -0.10 0.91 3.76 -1.26 -0.55 115.29 120.77 2wnj s HIS 187 Ca 0.09 -0.49 -0.04 0.00 -0.15 0.00 0.00 55.06 54.47 2wnj s HIS 187 Cb -0.12 -2.23 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 2wnj s HIS 187 CO 0.02 -0.39 0.05 0.71 -0.85 0.00 0.00 174.74 174.28 2wnj s TYR 188 N 1.60 3.32 0.64 1.40 4.12 -1.26 -5.01 117.35 122.15 2wnj s TYR 188 Ca 0.06 0.30 0.36 0.00 0.02 0.00 0.00 57.07 57.81 2wnj s TYR 188 Cb -0.15 -1.86 2.03 0.00 -1.52 0.00 0.00 41.96 40.46 2wnj s TYR 188 CO 0.03 0.54 2.22 0.66 0.02 0.00 0.00 175.55 179.03 2wnj h SER 189 N 5.18 0.00 0.03 2.29 4.64 -1.99 -2.24 113.55 121.47 2wnj h SER 189 Ca -0.51 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.76 2wnj h SER 189 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2wnj h SER 189 CO 0.56 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.40 2wnj h PRO 192 N 7.51 0.00 -5.89 0.00 0.13 -1.89 -3.40 132.00 128.46 2wnj h PRO 192 Ca -0.37 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.13 2wnj h PRO 192 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 2wnj h PRO 192 CO 0.41 0.00 -0.36 -1.21 -0.23 0.00 0.00 178.00 176.62 2wnj s GLU 193 N -3.34 3.63 0.48 0.86 8.01 -1.26 -5.08 118.70 122.00 2wnj s GLU 193 Ca 0.04 0.03 -0.21 0.00 0.01 0.00 0.00 54.97 54.84 2wnj s GLU 193 Cb 0.09 -3.12 -0.08 0.00 -4.31 0.00 0.00 34.13 26.72 2wnj s GLU 193 CO 0.44 0.67 1.08 -1.25 0.01 0.00 0.00 175.26 176.21 2wnj s PRO 194 N -1.52 3.74 -0.05 0.39 0.04 -1.26 -4.72 135.00 131.62 2wnj s PRO 194 Ca 0.25 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.81 2wnj s PRO 194 Cb -0.14 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2wnj s PRO 194 CO 0.13 -0.50 -0.13 0.71 0.04 0.00 0.00 177.00 177.25 2wnj s TYR 195 N -1.83 2.75 -0.14 0.56 1.51 0.28 -0.24 117.35 120.24 2wnj s TYR 195 Ca 0.67 -0.13 -0.07 0.00 -1.01 0.00 0.00 57.07 56.52 2wnj s TYR 195 Cb -0.20 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2wnj s TYR 195 CO 0.24 0.21 0.12 0.42 -1.11 0.00 0.00 175.55 175.43 2wnj s ILE 196 N -0.73 5.35 0.22 2.71 -1.09 -1.26 -0.13 121.20 126.27 2wnj s ILE 196 Ca 0.11 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 2wnj s ILE 196 Cb -0.11 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2wnj s ILE 196 CO 0.01 0.57 0.09 1.51 -1.23 0.00 0.00 174.94 175.89 2wnj s ASP 197 N -0.61 0.73 -0.24 3.58 -4.77 -0.29 -4.30 116.67 110.78 2wnj s ASP 197 Ca 0.13 -1.34 -0.02 0.00 -3.30 0.00 0.00 52.55 48.01 2wnj s ASP 197 Cb -0.12 0.25 0.01 0.00 -1.09 0.00 0.00 42.92 41.98 2wnj s ASP 197 CO 0.02 -0.75 -0.06 -0.69 0.70 0.00 0.00 175.17 174.39 2wnj s VAL 198 N -3.92 2.99 -0.36 2.11 1.01 0.29 0.11 120.40 122.64 2wnj s VAL 198 Ca 0.35 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 2wnj s VAL 198 Cb 0.07 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2wnj s VAL 198 CO 0.11 0.29 0.71 0.21 0.00 0.00 0.00 175.10 176.41 2wnj s ASN 199 N 1.38 6.49 -0.34 3.32 2.47 0.38 -1.08 114.94 127.55 2wnj s ASN 199 Ca 0.02 0.24 -0.20 0.00 0.42 0.00 0.00 52.86 53.35 2wnj s ASN 199 Cb -0.16 -2.36 -0.00 0.00 -1.45 0.00 0.00 41.25 37.28 2wnj s ASN 199 CO -0.05 -0.66 0.60 -0.22 -3.72 0.00 0.00 177.10 173.05 2wnj s LEU 200 N 2.89 4.25 -0.19 3.21 2.96 0.03 -1.44 118.68 130.39 2wnj s LEU 200 Ca 0.28 0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.34 2wnj s LEU 200 Cb -0.14 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.82 2wnj s LEU 200 CO 0.16 -0.53 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.87 2wnj s VAL 201 N 2.59 2.94 -0.13 1.68 1.01 -0.38 -0.99 120.40 127.12 2wnj s VAL 201 Ca 0.23 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2wnj s VAL 201 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2wnj s VAL 201 CO 0.14 0.47 -0.21 0.54 0.00 0.00 0.00 175.10 176.03 2wnj s VAL 202 N 1.22 2.15 -0.18 2.92 0.11 0.29 -1.01 120.40 125.90 2wnj s VAL 202 Ca 0.02 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.08 2wnj s VAL 202 Cb -0.14 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.83 2wnj s VAL 202 CO -0.04 0.55 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.70 2wnj s LYS 203 N 0.71 3.58 0.10 1.54 1.02 0.20 -0.91 119.74 125.97 2wnj s LYS 203 Ca -0.09 -0.55 -0.13 0.00 0.02 0.00 0.00 55.97 55.21 2wnj s LYS 203 Cb -0.16 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2wnj s LYS 203 CO 0.01 0.09 0.30 -0.59 -0.92 0.00 0.00 175.35 174.24 2wnj s PHE 204 N 0.75 -0.05 0.16 3.18 -0.12 -0.20 -0.22 117.98 121.49 2wnj s PHE 204 Ca -0.01 -0.29 -0.10 0.00 -0.05 0.00 0.00 56.93 56.47 2wnj s PHE 204 Cb -0.14 0.11 -0.00 0.00 -0.63 0.00 0.00 43.02 42.35 2wnj s PHE 204 CO 0.02 -0.61 0.32 -0.98 -0.05 0.00 0.00 175.22 173.92 2wnj s ARG 205 N -3.65 1.17 0.28 1.99 1.70 -0.61 -0.26 118.95 119.57 2wnj s ARG 205 Ca 0.03 -1.10 -0.29 0.00 -0.47 0.00 0.00 55.73 53.89 2wnj s ARG 205 Cb 0.03 0.40 -0.10 0.00 -0.57 0.00 0.00 34.95 34.70 2wnj s ARG 205 CO -0.10 -0.44 1.42 -1.21 -1.08 0.00 0.00 175.30 173.89 2wnj s GLU 206 N -3.94 4.26 0.00 3.89 2.02 0.06 -0.07 118.70 124.93 2wnj s GLU 206 Ca 0.15 2.33 0.01 0.00 0.02 0.00 0.00 54.97 57.47 2wnj s GLU 206 Cb 0.03 -3.08 0.04 0.00 0.10 0.00 0.00 34.13 31.22 2wnj s GLU 206 CO -0.01 -0.39 0.54 0.54 0.02 0.00 0.00 175.26 175.95