#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx5 s VAL 3 N 0.00 4.75 -0.17 1.08 1.01 -1.26 -2.76 120.40 123.05 1wx5 s VAL 3 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 1wx5 s VAL 3 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1wx5 s VAL 3 CO 0.00 0.56 0.46 -0.13 0.00 0.00 0.00 175.10 175.99 1wx5 s ARG 4 N -0.48 4.24 0.24 2.72 0.52 0.13 -4.78 118.95 121.55 1wx5 s ARG 4 Ca 0.10 0.36 0.09 0.00 -0.52 0.00 0.00 55.73 55.75 1wx5 s ARG 4 Cb -0.12 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1wx5 s ARG 4 CO 0.02 0.01 0.02 0.15 0.02 0.00 0.00 175.30 175.52 1wx5 s LYS 5 N 1.14 2.40 0.13 3.54 1.02 -1.25 -2.14 119.74 124.58 1wx5 s LYS 5 Ca 0.23 -1.28 -0.31 0.00 0.02 0.00 0.00 55.97 54.63 1wx5 s LYS 5 Cb -0.15 -2.27 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 1wx5 s LYS 5 CO 0.09 0.40 1.49 1.21 -0.92 0.00 0.00 175.35 177.61 1wx5 s ASN 6 N -3.48 6.71 0.61 2.83 3.84 -1.26 -0.73 114.94 123.45 1wx5 s ASN 6 Ca 0.30 2.45 0.29 0.00 0.21 0.00 0.00 52.86 56.11 1wx5 s ASN 6 Cb -0.07 -2.59 1.50 0.00 -0.55 0.00 0.00 41.25 39.54 1wx5 s ASN 6 CO 0.20 -0.75 1.90 0.06 -2.79 0.00 0.00 177.10 175.73 1wx5 h GLN 7 N 6.95 0.00 0.00 0.43 -0.00 -1.41 0.17 115.11 121.25 1wx5 h GLN 7 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1wx5 h GLN 7 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 1wx5 h GLN 7 CO 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 179.72 1wx5 h ALA 8 N 1.44 1.00 -0.32 0.06 0.00 -1.89 -3.19 119.26 116.35 1wx5 h ALA 8 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wx5 h ALA 8 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wx5 h ALA 8 CO -0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1wx5 n THR 9 N -3.05 0.40 -2.37 0.00 -2.24 0.59 -4.96 114.28 102.65 1wx5 n THR 9 Ca 0.02 -0.64 -0.42 0.00 -2.27 0.00 0.00 64.05 60.75 1wx5 n THR 9 Cb 0.41 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1wx5 n THR 9 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wx5 s LEU 10 N -1.54 4.39 0.93 3.22 1.43 -1.21 -5.01 118.68 120.89 1wx5 s LEU 10 Ca 0.37 2.11 -0.12 0.00 -1.03 0.00 0.00 54.13 55.45 1wx5 s LEU 10 Cb 0.21 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.99 1wx5 s LEU 10 CO 0.30 -0.48 1.12 0.42 0.23 0.00 0.00 176.35 177.94 1wx5 s THR 11 N 0.86 2.15 0.25 5.49 -4.23 -1.26 -4.78 115.64 114.12 1wx5 s THR 11 Ca 0.59 0.05 0.26 0.00 -1.18 0.00 0.00 61.69 61.40 1wx5 s THR 11 Cb -0.31 -2.71 0.26 0.00 1.34 0.00 0.00 72.50 71.08 1wx5 s THR 11 CO 0.31 -0.06 1.93 0.00 -0.54 0.00 0.00 174.62 176.26 1wx5 h ALA 12 N -1.58 1.12 -0.05 3.99 0.00 -1.99 -1.15 119.26 119.60 1wx5 h ALA 12 Ca -0.51 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 1wx5 h ALA 12 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wx5 h ALA 12 CO 0.60 0.22 -0.11 0.22 0.00 0.00 0.00 179.25 180.19 1wx5 h ASP 13 N 0.00 0.18 0.01 0.00 3.58 -1.99 -2.71 116.42 115.49 1wx5 h ASP 13 Ca -0.00 -0.57 -0.00 0.00 0.42 0.00 0.00 57.03 56.88 1wx5 h ASP 13 Cb 0.57 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1wx5 h ASP 13 CO 0.02 0.72 -0.00 -0.33 -2.88 0.00 0.00 179.24 176.77 1wx5 h GLU 14 N -0.35 -0.01 -0.54 0.28 5.08 -1.83 -0.17 114.58 117.04 1wx5 h GLU 14 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1wx5 h GLU 14 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1wx5 h GLU 14 CO 0.02 0.06 0.37 0.87 -1.00 0.00 0.00 179.01 179.34 1wx5 h LYS 15 N -0.08 0.22 -0.06 2.33 1.57 -1.30 0.12 116.57 119.38 1wx5 h LYS 15 Ca -0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1wx5 h LYS 15 Cb 0.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1wx5 h LYS 15 CO 0.00 0.15 -0.18 -0.09 -0.57 0.00 0.00 179.45 178.76 1wx5 h ARG 16 N 0.23 0.23 -0.48 3.15 2.43 -1.04 -2.55 114.38 116.35 1wx5 h ARG 16 Ca 0.26 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1wx5 h ARG 16 Cb 0.70 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1wx5 h ARG 16 CO -0.05 0.79 0.03 0.00 -1.51 0.00 0.00 179.97 179.23 1wx5 h ARG 17 N -0.29 0.77 -0.10 0.20 3.08 0.01 -2.21 114.38 115.84 1wx5 h ARG 17 Ca -0.01 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 1wx5 h ARG 17 Cb 0.80 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.76 1wx5 h ARG 17 CO 0.04 0.76 -0.42 0.35 -1.07 0.00 0.00 179.97 179.63 1wx5 h PHE 18 N 0.73 0.62 -0.95 3.04 3.57 -0.88 -1.30 116.94 121.78 1wx5 h PHE 18 Ca 0.15 -0.27 0.03 0.00 3.53 0.00 0.00 57.97 61.42 1wx5 h PHE 18 Cb 0.40 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1wx5 h PHE 18 CO 0.02 1.02 0.62 0.28 -2.23 0.00 0.00 178.31 178.02 1wx5 h VAL 19 N 0.04 1.16 0.12 1.41 2.07 -1.41 -1.40 116.25 118.25 1wx5 h VAL 19 Ca -0.02 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1wx5 h VAL 19 Cb 1.06 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1wx5 h VAL 19 CO 0.09 0.22 -0.06 0.00 0.02 0.00 0.00 177.57 177.84 1wx5 h ALA 20 N 1.39 -0.16 -1.00 1.67 0.00 -1.41 -0.61 119.26 119.14 1wx5 h ALA 20 Ca 0.38 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1wx5 h ALA 20 Cb -0.00 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 1wx5 h ALA 20 CO -0.12 -0.33 0.62 0.00 0.00 0.00 0.00 179.25 179.42 1wx5 h ALA 21 N 0.05 1.64 0.24 0.00 0.00 -1.12 -0.77 119.26 119.30 1wx5 h ALA 21 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1wx5 h ALA 21 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wx5 h ALA 21 CO 0.03 0.04 -0.12 0.28 0.00 0.00 0.00 179.25 179.48 1wx5 h VAL 22 N 0.84 0.76 -0.28 0.00 2.07 -1.22 -2.74 116.25 115.68 1wx5 h VAL 22 Ca 0.54 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 67.32 1wx5 h VAL 22 Cb 0.74 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1wx5 h VAL 22 CO -0.32 0.16 0.36 -0.07 0.02 0.00 0.00 177.57 177.72 1wx5 h LEU 23 N -0.80 0.00 0.06 2.57 3.38 -0.56 -0.44 115.31 119.52 1wx5 h LEU 23 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wx5 h LEU 23 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wx5 h LEU 23 CO 0.05 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 178.47 1wx5 h GLU 24 N 0.00 -0.08 -1.00 1.13 4.57 -1.05 -1.42 114.58 116.72 1wx5 h GLU 24 Ca 0.14 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.53 1wx5 h GLU 24 Cb 0.85 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 29.34 1wx5 h GLU 24 CO -0.00 0.47 0.60 -0.07 -1.18 0.00 0.00 179.01 178.83 1wx5 h LEU 25 N -0.72 0.75 -0.59 1.64 3.38 -0.81 1.15 115.31 120.12 1wx5 h LEU 25 Ca -0.01 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1wx5 h LEU 25 Cb 0.59 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1wx5 h LEU 25 CO 0.01 0.22 0.24 0.50 0.09 0.00 0.00 178.44 179.50 1wx5 h LYS 26 N 0.71 0.88 0.35 1.13 1.63 -1.25 -1.08 116.57 118.94 1wx5 h LYS 26 Ca 0.60 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 60.22 1wx5 h LYS 26 Cb 1.00 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1wx5 h LYS 26 CO -0.41 0.75 -0.17 -0.09 -3.45 0.00 0.00 179.45 176.08 1wx5 h ARG 27 N 0.81 -0.45 -0.78 1.90 2.43 0.21 -3.11 114.38 115.39 1wx5 h ARG 27 Ca 0.20 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.46 1wx5 h ARG 27 Cb 0.20 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1wx5 h ARG 27 CO -0.02 -0.21 0.46 0.66 -1.51 0.00 0.00 179.97 179.36 1wx5 h SER 28 N -0.63 0.69 0.00 -3.80 4.64 0.51 -3.46 113.55 111.50 1wx5 h SER 28 Ca -0.05 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wx5 h SER 28 Cb 0.46 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1wx5 h SER 28 CO 0.08 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1wx5 n GLY 29 N -1.31 1.01 0.20 -0.77 0.00 -0.46 -4.98 105.19 98.87 1wx5 n GLY 29 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.22 1wx5 n GLY 29 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wx5 h ARG 30 N 0.87 0.00 -0.12 1.61 3.08 -1.70 -3.34 114.38 114.79 1wx5 h ARG 30 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1wx5 h ARG 30 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1wx5 h ARG 30 CO 0.00 0.19 -0.00 -0.92 -1.07 0.00 0.00 179.97 178.17 1wx5 h TYR 31 N 0.00 0.24 0.00 3.04 5.03 -1.71 -2.89 116.97 120.68 1wx5 h TYR 31 Ca -0.00 -0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1wx5 h TYR 31 Cb 1.07 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.29 1wx5 h TYR 31 CO 0.00 0.47 -0.08 -0.44 -1.32 0.00 0.00 178.16 176.79 1wx5 h ASP 32 N -0.06 0.00 -0.32 -2.11 3.45 -1.85 -1.75 116.42 113.79 1wx5 h ASP 32 Ca 0.03 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.51 1wx5 h ASP 32 Cb 0.38 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 1wx5 h ASP 32 CO 0.01 0.08 0.18 -0.08 -1.57 0.00 0.00 179.24 177.85 1wx5 h GLU 33 N 0.00 0.35 -0.81 3.56 4.81 -1.62 -0.58 114.58 120.29 1wx5 h GLU 33 Ca -0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wx5 h GLU 33 Cb 0.23 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1wx5 h GLU 33 CO 0.01 0.23 0.54 0.74 -0.73 0.00 0.00 179.01 179.80 1wx5 h PHE 34 N 0.37 1.01 -0.40 0.92 -1.00 -1.29 -1.03 116.94 115.52 1wx5 h PHE 34 Ca 0.13 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.84 1wx5 h PHE 34 Cb 0.02 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.22 1wx5 h PHE 34 CO -0.08 0.63 -0.10 0.28 -1.61 0.00 0.00 178.31 177.43 1wx5 h VAL 35 N 1.09 1.28 -0.37 -0.55 2.07 -1.28 -2.33 116.25 116.14 1wx5 h VAL 35 Ca 0.30 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.65 1wx5 h VAL 35 Cb -0.11 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1wx5 h VAL 35 CO -0.07 0.40 0.21 0.03 0.02 0.00 0.00 177.57 178.16 1wx5 h ARG 36 N 0.58 0.42 0.34 1.57 3.08 -0.40 -0.07 114.38 119.90 1wx5 h ARG 36 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1wx5 h ARG 36 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1wx5 h ARG 36 CO 0.04 0.28 -0.25 1.15 -1.07 0.00 0.00 179.97 180.12 1wx5 h THR 37 N 0.44 0.47 -0.83 2.04 2.02 -1.12 -1.51 112.91 114.42 1wx5 h THR 37 Ca 0.15 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.35 1wx5 h THR 37 Cb 0.01 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 1wx5 h THR 37 CO -0.07 0.00 0.55 -0.74 0.37 0.00 0.00 175.52 175.63 1wx5 h HIS 38 N -0.59 1.02 0.00 3.16 -0.00 -1.28 -1.74 115.15 115.73 1wx5 h HIS 38 Ca -0.03 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1wx5 h HIS 38 Cb 0.51 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1wx5 h HIS 38 CO -0.13 0.62 -0.30 -0.97 -0.00 0.00 0.00 177.93 177.15 1wx5 h ASN 39 N 1.09 0.00 0.34 3.26 -0.73 -0.76 -1.81 115.58 116.96 1wx5 h ASN 39 Ca 0.32 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.47 1wx5 h ASN 39 Cb -0.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.53 1wx5 h ASN 39 CO -0.08 0.30 -0.16 -0.33 -0.37 0.00 0.00 177.43 176.79 1wx5 h GLU 40 N 0.00 -0.43 -0.01 6.67 5.08 -0.35 -2.83 114.58 122.71 1wx5 h GLU 40 Ca -0.00 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1wx5 h GLU 40 Cb 0.69 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1wx5 h GLU 40 CO 0.04 -0.12 0.00 0.74 -1.00 0.00 0.00 179.01 178.67 1wx5 h PHE 41 N -0.77 0.02 -0.95 4.33 0.04 -1.49 -2.01 116.94 116.11 1wx5 h PHE 41 Ca -0.05 -0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.90 1wx5 h PHE 41 Cb 0.51 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.55 1wx5 h PHE 41 CO 0.02 0.30 0.54 0.97 -0.60 0.00 0.00 178.31 179.54 1wx5 h ILE 42 N -0.26 0.70 0.00 -0.55 2.10 -1.44 0.40 117.51 118.46 1wx5 h ILE 42 Ca 0.00 -0.24 -0.13 0.00 1.08 0.00 0.00 64.86 65.57 1wx5 h ILE 42 Cb 0.29 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 35.94 1wx5 h ILE 42 CO 0.00 0.13 -0.62 0.24 -1.08 0.00 0.00 178.15 176.82 1wx5 h MET 43 N 0.70 0.00 0.00 2.19 2.86 -1.39 -3.32 114.93 115.98 1wx5 h MET 43 Ca 0.54 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 1wx5 h MET 43 Cb 0.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1wx5 h MET 43 CO -0.39 0.62 -1.51 -1.13 1.06 0.00 0.00 176.91 175.56 1wx5 n SER 44 N -3.64 0.39 -4.57 1.22 3.41 0.11 -4.89 113.62 105.65 1wx5 n SER 44 Ca -0.01 -0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 1wx5 n SER 44 Cb 0.65 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.91 1wx5 n SER 44 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wx5 s ASP 45 N -4.51 5.81 0.19 4.04 -0.00 0.12 -4.72 116.67 117.60 1wx5 s ASP 45 Ca -0.03 0.54 0.10 0.00 -0.00 0.00 0.00 52.55 53.16 1wx5 s ASP 45 Cb 0.13 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.47 1wx5 s ASP 45 CO 0.86 -1.91 -0.13 0.42 -0.00 0.00 0.00 175.17 174.41 1wx5 s THR 46 N 7.17 2.97 0.29 -1.27 -4.23 -1.18 -4.97 115.64 114.41 1wx5 s THR 46 Ca 0.63 -1.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1wx5 s THR 46 Cb -0.14 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.39 1wx5 s THR 46 CO 0.26 -0.13 1.84 0.44 -0.54 0.00 0.00 174.62 176.49 1wx5 h ASP 47 N 2.94 0.72 0.61 3.99 3.32 -1.91 -3.06 116.42 123.04 1wx5 h ASP 47 Ca -0.46 -0.13 -0.24 0.00 0.02 0.00 0.00 57.03 56.22 1wx5 h ASP 47 Cb 1.21 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 1wx5 h ASP 47 CO 0.53 0.72 -1.54 0.77 -1.72 0.00 0.00 179.24 178.00 1wx5 h SER 48 N 0.75 0.00 -0.19 6.45 4.64 -2.00 -3.48 113.55 119.72 1wx5 h SER 48 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1wx5 h SER 48 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wx5 h SER 48 CO -0.00 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 1wx5 n GLY 49 N 1.48 1.52 3.76 -0.77 0.00 -1.15 -5.05 105.19 104.97 1wx5 n GLY 49 Ca -0.13 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 1wx5 n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wx5 s GLU 50 N 2.65 4.63 -0.06 1.61 2.12 -1.26 -4.70 118.70 123.68 1wx5 s GLU 50 Ca 0.00 1.24 0.00 0.00 0.36 0.00 0.00 54.97 56.57 1wx5 s GLU 50 Cb 0.00 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.11 1wx5 s GLU 50 CO 0.00 0.44 -0.03 -0.98 -0.54 0.00 0.00 175.26 174.15 1wx5 s ARG 51 N -0.73 0.76 0.02 4.30 1.70 -0.82 -3.13 118.95 121.05 1wx5 s ARG 51 Ca 0.39 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.62 1wx5 s ARG 51 Cb -0.23 -0.89 0.00 0.00 -0.57 0.00 0.00 34.95 33.26 1wx5 s ARG 51 CO 0.27 -0.16 0.00 2.41 -1.08 0.00 0.00 175.30 176.74 1wx5 n THR 52 N 4.45 0.10 0.03 4.99 -1.04 -1.26 -4.33 114.28 117.22 1wx5 n THR 52 Ca -0.19 0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.74 1wx5 n THR 52 Cb 0.50 -1.11 -0.00 0.00 -1.82 0.00 0.00 70.33 67.90 1wx5 n THR 52 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1wx5 h GLY 53 N 0.00 0.57 -0.71 3.41 0.00 -1.88 -3.31 103.07 101.15 1wx5 h GLY 53 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 47.33 46.25 1wx5 h GLY 53 CO 0.00 0.72 -0.24 1.42 0.00 0.00 0.00 176.54 178.44 1wx5 n HIS 54 N -3.87 -0.14 -2.84 5.60 8.25 -1.26 -4.35 115.22 116.62 1wx5 n HIS 54 Ca -0.05 -1.39 -0.08 0.00 -0.26 0.00 0.00 57.72 55.94 1wx5 n HIS 54 Cb 0.72 0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.87 1wx5 n HIS 54 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1wx5 n ARG 55 N -0.41 -0.97 -3.46 -0.41 1.85 -1.26 -4.65 116.66 107.35 1wx5 n ARG 55 Ca 0.00 0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 56.75 1wx5 n ARG 55 Cb 0.31 -0.96 -0.03 0.00 -1.05 0.00 0.00 32.46 30.74 1wx5 n ARG 55 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1wx5 s SER 56 N -3.04 -0.56 0.45 2.89 1.04 -1.26 -3.74 113.70 109.48 1wx5 s SER 56 Ca 0.04 0.16 0.24 0.00 0.48 0.00 0.00 55.95 56.87 1wx5 s SER 56 Cb -0.02 0.55 1.25 0.00 0.10 0.00 0.00 66.02 67.90 1wx5 s SER 56 CO 0.25 -0.83 1.80 1.55 0.98 0.00 0.00 173.24 176.99 1wx5 h PRO 57 N 2.23 0.25 0.00 4.02 0.13 -1.85 0.18 132.00 136.95 1wx5 h PRO 57 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1wx5 h PRO 57 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wx5 h PRO 57 CO 0.37 0.17 0.00 -1.13 -0.23 0.00 0.00 178.00 177.18 1wx5 n SER 58 N -4.48 0.00 -0.35 1.44 3.41 -1.26 -3.63 113.62 108.75 1wx5 n SER 58 Ca 0.24 -0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.91 1wx5 n SER 58 Cb 0.96 -0.28 0.29 0.00 -0.26 0.00 0.00 64.21 64.92 1wx5 n SER 58 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1wx5 h PHE 59 N 0.00 1.08 0.25 7.33 3.57 -0.74 -0.86 116.94 127.59 1wx5 h PHE 59 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1wx5 h PHE 59 Cb 0.19 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1wx5 h PHE 59 CO 0.00 0.34 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.23 1wx5 h LEU 60 N 0.87 -0.29 -0.54 0.59 3.38 -1.79 -3.07 115.31 114.46 1wx5 h LEU 60 Ca 0.53 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 1wx5 h LEU 60 Cb 0.70 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1wx5 h LEU 60 CO -0.31 0.20 0.21 1.55 0.09 0.00 0.00 178.44 180.17 1wx5 h PRO 61 N -0.90 0.82 -0.11 1.13 0.13 -1.76 -2.08 132.00 129.23 1wx5 h PRO 61 Ca -0.03 -0.15 0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1wx5 h PRO 61 Cb 0.50 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 1wx5 h PRO 61 CO 0.06 0.72 -0.30 2.35 -0.23 0.00 0.00 178.00 180.60 1wx5 h TRP 62 N 0.74 -0.90 -0.19 1.56 7.01 -1.28 -0.61 115.95 122.29 1wx5 h TRP 62 Ca 0.18 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.27 1wx5 h TRP 62 Cb 0.21 0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1wx5 h TRP 62 CO 0.01 -0.29 0.20 0.45 -2.79 0.00 0.00 178.44 176.01 1wx5 h HIS 63 N -0.29 0.00 -0.22 2.65 3.86 -1.50 0.56 115.15 120.21 1wx5 h HIS 63 Ca 0.02 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 1wx5 h HIS 63 Cb 0.36 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1wx5 h HIS 63 CO -0.56 0.00 -0.04 -0.09 0.86 0.00 0.00 177.93 178.11 1wx5 h ARG 64 N 0.00 0.41 -0.29 2.45 2.43 -0.41 -1.29 114.38 117.69 1wx5 h ARG 64 Ca 0.09 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 58.94 1wx5 h ARG 64 Cb 0.48 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1wx5 h ARG 64 CO -0.00 0.64 -0.49 -0.09 -1.51 0.00 0.00 179.97 178.52 1wx5 h ARG 65 N 0.15 0.79 -0.72 0.20 9.65 -0.25 -2.57 114.38 121.64 1wx5 h ARG 65 Ca 0.06 -0.47 -0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1wx5 h ARG 65 Cb 0.48 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 1wx5 h ARG 65 CO 0.02 1.10 0.44 0.35 2.80 0.00 0.00 179.97 184.68 1wx5 h PHE 66 N 0.62 0.93 -0.06 2.20 3.57 -0.89 -1.49 116.94 121.82 1wx5 h PHE 66 Ca 0.03 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1wx5 h PHE 66 Cb 1.07 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1wx5 h PHE 66 CO 0.06 0.62 -0.55 -0.07 -2.23 0.00 0.00 178.31 176.13 1wx5 h LEU 67 N 0.98 0.20 -0.15 0.59 4.07 -1.13 -2.81 115.31 117.06 1wx5 h LEU 67 Ca 0.26 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 58.10 1wx5 h LEU 67 Cb -0.05 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1wx5 h LEU 67 CO -0.05 0.72 0.04 -0.07 -1.08 0.00 0.00 178.44 177.99 1wx5 h LEU 68 N 0.14 0.23 -0.94 1.67 3.38 -0.89 0.00 115.31 118.91 1wx5 h LEU 68 Ca -0.00 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 57.88 1wx5 h LEU 68 Cb 1.02 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.62 1wx5 h LEU 68 CO 0.08 0.40 0.55 0.44 0.09 0.00 0.00 178.44 180.01 1wx5 h ASP 69 N 0.05 0.76 -0.25 -0.43 3.32 -1.19 0.85 116.42 119.52 1wx5 h ASP 69 Ca 0.05 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 1wx5 h ASP 69 Cb 0.26 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1wx5 h ASP 69 CO 0.00 0.36 -0.39 0.15 -1.72 0.00 0.00 179.24 177.64 1wx5 h PHE 70 N 0.82 0.88 0.42 4.55 3.57 -1.23 -1.57 116.94 124.37 1wx5 h PHE 70 Ca 0.49 -0.30 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1wx5 h PHE 70 Cb 0.59 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1wx5 h PHE 70 CO -0.04 1.07 -0.20 1.49 -2.23 0.00 0.00 178.31 178.40 1wx5 h GLU 71 N 0.44 -0.54 -0.42 1.11 4.81 -0.07 -2.02 114.58 117.89 1wx5 h GLU 71 Ca 0.02 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1wx5 h GLU 71 Cb 0.98 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1wx5 h GLU 71 CO 0.09 -0.34 0.29 1.96 -0.73 0.00 0.00 179.01 180.28 1wx5 h GLN 72 N -0.59 0.34 0.00 1.92 4.20 -0.91 0.33 115.11 120.39 1wx5 h GLN 72 Ca -0.06 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1wx5 h GLN 72 Cb 0.45 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wx5 h GLN 72 CO 0.09 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.48 1wx5 h ALA 73 N 1.77 1.00 0.11 3.87 0.00 -0.91 -1.14 119.26 123.95 1wx5 h ALA 73 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.74 1wx5 h ALA 73 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wx5 h ALA 73 CO -0.04 0.00 -1.92 -0.07 0.00 0.00 0.00 179.25 177.22 1wx5 h LEU 74 N 0.00 0.35 -0.44 0.00 3.38 0.22 -3.34 115.31 115.48 1wx5 h LEU 74 Ca 0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1wx5 h LEU 74 Cb 0.54 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wx5 h LEU 74 CO 0.00 1.69 0.00 0.00 0.09 0.00 0.00 178.44 180.22 1wx5 n GLN 75 N -3.41 0.15 -0.09 1.13 6.02 0.59 -1.32 117.38 120.45 1wx5 n GLN 75 Ca -0.28 0.35 0.11 0.00 -0.01 0.00 0.00 57.00 57.16 1wx5 n GLN 75 Cb 1.05 -1.77 0.36 0.00 1.02 0.00 0.00 30.24 30.91 1wx5 n GLN 75 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wx5 n SER 76 N -2.04 1.81 0.00 1.08 3.41 -0.46 -2.46 113.62 114.96 1wx5 n SER 76 Ca 0.03 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1wx5 n SER 76 Cb 0.24 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 1wx5 n SER 76 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1wx5 n VAL 77 N 0.42 0.00 -3.24 -3.33 0.31 -0.58 -4.94 118.33 106.97 1wx5 n VAL 77 Ca 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.46 1wx5 n VAL 77 Cb 0.35 -0.86 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 1wx5 n VAL 77 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wx5 s ASP 78 N -3.25 -0.75 0.50 4.52 -1.08 -0.43 -5.00 116.67 111.17 1wx5 s ASP 78 Ca 0.00 -0.62 0.34 0.00 -0.52 0.00 0.00 52.55 51.76 1wx5 s ASP 78 Cb 0.00 1.59 1.47 0.00 -1.46 0.00 0.00 42.92 44.52 1wx5 s ASP 78 CO 0.00 -0.25 1.72 0.77 0.52 0.00 0.00 175.17 177.93 1wx5 h SER 79 N 7.46 0.14 1.04 -0.34 4.64 -1.72 -1.55 113.55 123.21 1wx5 h SER 79 Ca 0.01 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wx5 h SER 79 Cb 1.15 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1wx5 h SER 79 CO 0.16 -0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 1wx5 n SER 80 N -4.33 0.73 -4.71 4.97 3.41 -1.26 -4.84 113.62 107.60 1wx5 n SER 80 Ca 0.31 0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 59.13 1wx5 n SER 80 Cb 1.35 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1wx5 n SER 80 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wx5 s VAL 81 N -3.23 4.73 0.43 -3.33 1.01 -0.58 -5.06 120.40 114.37 1wx5 s VAL 81 Ca 0.07 1.96 0.06 0.00 0.00 0.00 0.00 61.98 64.07 1wx5 s VAL 81 Cb 0.11 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1wx5 s VAL 81 CO 0.48 0.14 0.01 0.42 0.00 0.00 0.00 175.10 176.15 1wx5 s THR 82 N 1.12 1.80 -0.23 3.92 -4.23 -1.26 -4.48 115.64 112.29 1wx5 s THR 82 Ca 0.53 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.81 1wx5 s THR 82 Cb -0.22 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1wx5 s THR 82 CO 0.27 0.00 0.73 -0.22 -0.54 0.00 0.00 174.62 174.86 1wx5 s LEU 83 N -3.75 4.10 0.42 4.79 0.20 -1.26 -4.97 118.68 118.21 1wx5 s LEU 83 Ca 0.28 0.91 -0.06 0.00 0.69 0.00 0.00 54.13 55.95 1wx5 s LEU 83 Cb 0.08 -3.03 -0.05 0.00 -0.43 0.00 0.00 46.19 42.76 1wx5 s LEU 83 CO 0.14 -0.41 0.73 -2.16 -0.29 0.00 0.00 176.35 174.37 1wx5 s PRO 84 N 2.45 3.63 0.13 0.98 0.04 -1.26 -3.94 135.00 137.03 1wx5 s PRO 84 Ca 0.31 0.23 0.10 0.00 0.04 0.00 0.00 61.00 61.68 1wx5 s PRO 84 Cb -0.16 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1wx5 s PRO 84 CO 0.09 -0.07 -0.21 1.52 0.04 0.00 0.00 177.00 178.37 1wx5 s TYR 85 N -2.51 2.45 -0.41 0.56 -0.85 0.09 -4.28 117.35 112.40 1wx5 s TYR 85 Ca 0.48 -0.31 -0.09 0.00 -0.52 0.00 0.00 57.07 56.63 1wx5 s TYR 85 Cb -0.10 -1.29 0.08 0.00 0.38 0.00 0.00 41.96 41.02 1wx5 s TYR 85 CO 0.38 0.39 0.24 -0.46 -1.52 0.00 0.00 175.55 174.58 1wx5 s TRP 86 N -1.20 3.34 -1.22 -3.49 -0.00 -0.78 -1.01 118.94 114.58 1wx5 s TRP 86 Ca 0.17 -1.56 -0.17 0.00 -0.00 0.00 0.00 56.10 54.54 1wx5 s TRP 86 Cb -0.10 -2.90 0.11 0.00 -0.00 0.00 0.00 33.47 30.57 1wx5 s TRP 86 CO 0.09 -0.84 1.57 0.34 -0.00 0.00 0.00 176.95 178.11 1wx5 s ASP 87 N 2.03 6.87 0.00 5.86 -1.08 -1.26 -4.68 116.67 124.41 1wx5 s ASP 87 Ca 0.03 -2.51 0.07 0.00 -0.52 0.00 0.00 52.55 49.62 1wx5 s ASP 87 Cb -0.23 -2.51 0.44 0.00 -1.46 0.00 0.00 42.92 39.16 1wx5 s ASP 87 CO 0.02 -1.05 0.88 -2.67 0.52 0.00 0.00 175.17 172.87 1wx5 n TRP 88 N 7.40 0.00 0.10 -5.34 4.27 -1.26 -1.31 117.44 121.29 1wx5 n TRP 88 Ca 0.42 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 54.03 1wx5 n TRP 88 Cb 0.46 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.38 1wx5 n TRP 88 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 1wx5 h SER 89 N 0.00 0.00 0.00 -0.67 4.64 -1.87 -3.37 113.55 112.27 1wx5 h SER 89 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1wx5 h SER 89 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1wx5 h SER 89 CO 0.00 0.60 -2.13 0.00 -0.87 0.00 0.00 176.83 174.43 1wx5 n ALA 90 N -2.29 1.59 -3.04 5.18 0.00 -0.43 -4.36 120.51 117.17 1wx5 n ALA 90 Ca -0.01 -0.84 -0.44 0.00 0.00 0.00 0.00 53.44 52.15 1wx5 n ALA 90 Cb 0.79 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.33 1wx5 n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wx5 n ASP 91 N -3.26 5.78 -0.06 0.00 9.92 -0.80 -4.85 116.55 123.29 1wx5 n ASP 91 Ca -0.36 -3.18 0.14 0.00 -0.53 0.00 0.00 54.79 50.85 1wx5 n ASP 91 Cb 0.85 -1.38 0.52 0.00 -0.64 0.00 0.00 41.12 40.48 1wx5 n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wx5 n ARG 92 N 2.68 0.36 -4.63 -1.24 1.74 -1.26 -4.64 116.66 109.68 1wx5 n ARG 92 Ca 0.28 -0.13 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 1wx5 n ARG 92 Cb 0.37 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.21 1wx5 n ARG 92 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wx5 s THR 93 N -2.73 1.74 -2.00 0.55 -4.23 -1.26 -4.83 115.64 102.89 1wx5 s THR 93 Ca 0.21 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 1wx5 s THR 93 Cb 0.19 -2.82 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1wx5 s THR 93 CO 0.54 0.00 0.72 0.52 -0.54 0.00 0.00 174.62 175.86 1wx5 n VAL 94 N -0.99 0.00 0.82 2.29 0.31 -1.26 -2.00 118.33 117.50 1wx5 n VAL 94 Ca -0.07 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.37 1wx5 n VAL 94 Cb 0.67 -0.76 0.12 0.00 -0.91 0.00 0.00 33.84 32.96 1wx5 n VAL 94 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wx5 n ARG 95 N -0.87 2.26 -2.16 5.55 1.74 -1.26 -4.79 116.66 117.13 1wx5 n ARG 95 Ca 0.04 -1.96 -0.37 0.00 -0.77 0.00 0.00 57.85 54.80 1wx5 n ARG 95 Cb 0.02 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1wx5 n ARG 95 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wx5 s ALA 96 N -1.83 2.85 0.54 7.54 0.00 -0.85 -4.89 121.76 125.13 1wx5 s ALA 96 Ca 0.29 0.98 0.30 0.00 0.00 0.00 0.00 51.96 53.54 1wx5 s ALA 96 Cb 0.20 -3.41 1.47 0.00 0.00 0.00 0.00 23.12 21.37 1wx5 s ALA 96 CO 0.29 -0.84 1.91 0.66 0.00 0.00 0.00 175.76 177.78 1wx5 h SER 97 N 1.67 0.00 0.40 0.00 4.64 -1.93 0.35 113.55 118.68 1wx5 h SER 97 Ca -0.50 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 1wx5 h SER 97 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1wx5 h SER 97 CO 0.59 0.00 -0.19 0.17 -0.87 0.00 0.00 176.83 176.52 1wx5 h LEU 98 N 0.00 0.00 -1.28 5.97 -0.00 -1.90 -2.12 115.31 115.99 1wx5 h LEU 98 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 1wx5 h LEU 98 Cb 1.52 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.18 1wx5 h LEU 98 CO -0.00 0.19 0.00 0.79 -0.00 0.00 0.00 178.44 179.42 1wx5 n TRP 99 N -3.80 0.48 -1.71 0.17 5.03 0.11 -2.01 117.44 115.71 1wx5 n TRP 99 Ca -0.02 -0.22 -0.31 0.00 3.03 0.00 0.00 57.50 59.98 1wx5 n TRP 99 Cb 0.29 -0.03 0.05 0.00 -1.03 0.00 0.00 31.31 30.59 1wx5 n TRP 99 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1wx5 s ALA 100 N -1.59 2.76 0.38 6.99 0.00 -0.80 -2.23 121.76 127.27 1wx5 s ALA 100 Ca 0.22 -0.10 0.13 0.00 0.00 0.00 0.00 51.96 52.21 1wx5 s ALA 100 Cb 0.12 -3.11 0.77 0.00 0.00 0.00 0.00 23.12 20.90 1wx5 s ALA 100 CO 0.14 -1.15 1.85 -1.00 0.00 0.00 0.00 175.76 175.59 1wx5 h PRO 101 N -0.67 0.00 -0.04 0.00 0.13 -1.88 0.26 132.00 129.80 1wx5 h PRO 101 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1wx5 h PRO 101 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wx5 h PRO 101 CO 0.60 0.34 0.00 -0.40 -0.23 0.00 0.00 178.00 178.32 1wx5 n ASP 102 N -4.10 0.32 0.00 1.44 5.75 -1.26 -3.90 116.55 114.80 1wx5 n ASP 102 Ca -0.02 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1wx5 n ASP 102 Cb 0.39 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1wx5 n ASP 102 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1wx5 n PHE 103 N -0.47 0.00 0.83 2.11 -0.00 -0.92 -4.71 117.46 114.29 1wx5 n PHE 103 Ca 0.09 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.65 1wx5 n PHE 103 Cb 0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 39.48 39.50 1wx5 n PHE 103 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1wx5 n LEU 104 N 0.00 0.77 0.00 -2.13 4.77 -0.85 -4.31 117.00 115.25 1wx5 n LEU 104 Ca 0.00 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1wx5 n LEU 104 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1wx5 n LEU 104 CO 0.00 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1wx5 n GLY 105 N 1.46 -0.61 0.00 -0.72 0.00 0.88 -4.68 105.19 101.51 1wx5 n GLY 105 Ca 0.03 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1wx5 n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx5 n GLY 106 N -0.68 1.24 0.00 -0.02 0.00 -0.94 -4.12 105.19 100.67 1wx5 n GLY 106 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1wx5 n GLY 106 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wx5 n THR 107 N 0.00 0.00 -4.47 2.61 5.66 -1.26 -4.86 114.28 111.96 1wx5 n THR 107 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1wx5 n THR 107 Cb 0.00 -1.41 -0.13 0.00 -1.55 0.00 0.00 70.33 67.24 1wx5 n THR 107 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wx5 s GLY 108 N -2.04 1.56 0.49 1.09 0.00 -1.20 -4.17 107.32 103.05 1wx5 s GLY 108 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 44.72 43.05 1wx5 s GLY 108 CO 0.00 -1.40 1.32 -0.96 0.00 0.00 0.00 173.10 172.06 1wx5 n ARG 109 N 1.05 1.85 -0.21 2.90 1.85 -1.06 -4.66 116.66 118.37 1wx5 n ARG 109 Ca -0.18 0.67 0.01 0.00 -1.00 0.00 0.00 57.85 57.35 1wx5 n ARG 109 Cb 0.53 -2.50 0.12 0.00 -1.05 0.00 0.00 32.46 29.56 1wx5 n ARG 109 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1wx5 h SER 110 N 1.78 0.10 0.00 2.89 4.64 -1.94 0.81 113.55 121.83 1wx5 h SER 110 Ca -0.50 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1wx5 h SER 110 Cb 1.30 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1wx5 h SER 110 CO 0.58 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.95 1wx5 n THR 111 N -5.08 0.00 0.11 2.95 -2.24 -1.26 -3.59 114.28 105.18 1wx5 n THR 111 Ca 0.10 1.22 0.04 0.00 -2.27 0.00 0.00 64.05 63.13 1wx5 n THR 111 Cb 0.32 -1.71 0.06 0.00 -2.10 0.00 0.00 70.33 66.91 1wx5 n THR 111 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1wx5 n ASP 112 N -1.96 2.03 -0.94 3.42 5.68 -1.24 -4.98 116.55 118.56 1wx5 n ASP 112 Ca 0.00 -1.61 -0.12 0.00 -0.50 0.00 0.00 54.79 52.56 1wx5 n ASP 112 Cb 0.00 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 1wx5 n ASP 112 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wx5 n GLY 113 N 0.29 1.31 3.71 6.12 0.00 0.28 -4.93 105.19 111.97 1wx5 n GLY 113 Ca 0.06 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1wx5 n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wx5 s ARG 114 N -2.99 4.48 0.19 1.61 3.52 -1.25 -1.57 118.95 122.94 1wx5 s ARG 114 Ca 0.00 1.64 -0.32 0.00 -0.13 0.00 0.00 55.73 56.92 1wx5 s ARG 114 Cb 0.00 -3.39 -0.11 0.00 -1.56 0.00 0.00 34.95 29.88 1wx5 s ARG 114 CO 0.00 -0.18 1.66 0.08 -0.81 0.00 0.00 175.30 176.05 1wx5 s VAL 115 N 1.06 2.25 -1.70 7.11 1.01 -0.95 -2.57 120.40 126.61 1wx5 s VAL 115 Ca 0.56 0.18 0.14 0.00 0.00 0.00 0.00 61.98 62.86 1wx5 s VAL 115 Cb -0.26 -3.11 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1wx5 s VAL 115 CO 0.29 0.01 0.98 0.23 0.00 0.00 0.00 175.10 176.61 1wx5 n MET 116 N 3.93 1.11 -4.08 2.72 0.00 -1.26 -4.14 117.12 115.40 1wx5 n MET 116 Ca 0.15 -1.41 -0.10 0.00 0.00 0.00 0.00 57.70 56.34 1wx5 n MET 116 Cb 0.36 -1.27 -0.07 0.00 0.00 0.00 0.00 33.22 32.24 1wx5 n MET 116 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1wx5 s ASP 117 N -1.15 0.04 0.00 7.83 -4.77 -1.26 -4.99 116.67 112.36 1wx5 s ASP 117 Ca 0.17 -1.12 0.00 0.00 -3.30 0.00 0.00 52.55 48.30 1wx5 s ASP 117 Cb 0.12 0.51 0.00 0.00 -1.09 0.00 0.00 42.92 42.46 1wx5 s ASP 117 CO 0.18 -1.03 0.00 0.61 0.70 0.00 0.00 175.17 175.62 1wx5 n GLY 118 N -0.35 0.10 0.23 2.12 0.00 -1.26 -4.13 105.19 101.91 1wx5 n GLY 118 Ca -0.00 -1.86 0.04 0.00 0.00 0.00 0.00 46.02 44.20 1wx5 n GLY 118 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wx5 h PRO 119 N 0.00 0.10 -0.50 1.61 0.11 -1.75 -3.16 132.00 128.40 1wx5 h PRO 119 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1wx5 h PRO 119 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1wx5 h PRO 119 CO 0.00 0.24 0.00 1.19 -0.21 0.00 0.00 178.00 179.22 1wx5 n PHE 120 N -4.33 0.66 -1.88 0.65 3.01 -1.26 -4.69 117.46 109.62 1wx5 n PHE 120 Ca -0.02 -0.33 -0.37 0.00 1.01 0.00 0.00 57.45 57.75 1wx5 n PHE 120 Cb 0.23 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.75 1wx5 n PHE 120 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wx5 s ALA 121 N -1.34 2.55 0.35 4.37 0.00 -1.20 -4.66 121.76 121.84 1wx5 s ALA 121 Ca 0.39 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1wx5 s ALA 121 Cb 0.21 -3.51 0.65 0.00 0.00 0.00 0.00 23.12 20.47 1wx5 s ALA 121 CO 0.28 -1.34 1.99 0.00 0.00 0.00 0.00 175.76 176.69 1wx5 h ALA 122 N 0.92 1.53 -0.02 0.00 0.00 -1.82 -2.46 119.26 117.41 1wx5 h ALA 122 Ca -0.51 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1wx5 h ALA 122 Cb 1.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1wx5 h ALA 122 CO 0.55 0.41 0.02 0.66 0.00 0.00 0.00 179.25 180.88 1wx5 h SER 123 N 0.75 0.00 0.60 0.00 4.64 -1.89 -1.68 113.55 115.97 1wx5 h SER 123 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1wx5 h SER 123 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1wx5 h SER 123 CO -0.04 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 176.63 1wx5 h THR 124 N 0.00 0.00 -1.02 2.95 1.35 -1.76 -3.46 112.91 110.98 1wx5 h THR 124 Ca 0.01 -0.23 -0.32 0.00 -0.55 0.00 0.00 66.41 65.32 1wx5 h THR 124 Cb 0.04 0.98 -0.11 0.00 -1.73 0.00 0.00 68.15 67.33 1wx5 h THR 124 CO -0.00 0.00 -0.31 0.61 -0.25 0.00 0.00 175.52 175.57 1wx5 n GLY 125 N -0.31 1.25 0.00 5.82 0.00 -0.63 -4.83 105.19 106.49 1wx5 n GLY 125 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1wx5 n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wx5 n ASN 126 N -0.61 1.18 -3.07 1.61 5.03 -1.26 -4.88 115.26 113.26 1wx5 n ASN 126 Ca -0.16 -1.34 -0.18 0.00 0.87 0.00 0.00 54.58 53.77 1wx5 n ASN 126 Cb 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.28 1wx5 n ASN 126 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 1wx5 n TRP 127 N -0.17 -0.95 -2.96 3.10 -0.00 -1.26 -4.87 117.44 110.33 1wx5 n TRP 127 Ca 0.00 -3.20 -0.36 0.00 -0.00 0.00 0.00 57.50 53.94 1wx5 n TRP 127 Cb 0.14 0.17 -0.06 0.00 -0.00 0.00 0.00 31.31 31.56 1wx5 n TRP 127 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1wx5 s PRO 128 N -1.15 4.35 -0.44 5.87 0.04 -1.26 -4.56 135.00 137.85 1wx5 s PRO 128 Ca 0.35 1.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 1wx5 s PRO 128 Cb 0.26 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1wx5 s PRO 128 CO -0.11 0.30 0.80 0.42 0.04 0.00 0.00 177.00 178.45 1wx5 s ILE 129 N -1.65 4.64 -0.20 0.56 -1.09 0.05 -4.91 121.20 118.59 1wx5 s ILE 129 Ca 0.48 0.54 -0.16 0.00 -2.23 0.00 0.00 60.65 59.28 1wx5 s ILE 129 Cb -0.16 -4.32 -0.10 0.00 -1.58 0.00 0.00 42.46 36.30 1wx5 s ILE 129 CO 0.21 -0.69 -0.16 0.59 -1.23 0.00 0.00 174.94 173.66 1wx5 n ASN 130 N 6.73 1.89 -4.54 3.58 3.02 -1.26 -4.68 115.26 119.99 1wx5 n ASN 130 Ca 0.03 0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 54.58 1wx5 n ASN 130 Cb 0.48 -0.85 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1wx5 n ASN 130 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wx5 s VAL 131 N -2.50 4.36 0.22 2.41 1.01 -1.26 -4.96 120.40 119.68 1wx5 s VAL 131 Ca -0.28 -1.93 0.10 0.00 0.00 0.00 0.00 61.98 59.86 1wx5 s VAL 131 Cb 0.07 -5.09 -0.05 0.00 0.00 0.00 0.00 36.38 31.32 1wx5 s VAL 131 CO 0.44 -1.89 -0.18 0.00 0.00 0.00 0.00 175.10 173.47 1wx5 s ARG 132 N 3.57 1.44 0.00 2.72 1.70 -1.26 -4.83 118.95 122.30 1wx5 s ARG 132 Ca 0.49 -1.60 0.27 0.00 -0.47 0.00 0.00 55.73 54.42 1wx5 s ARG 132 Cb 0.01 -1.45 0.85 0.00 -0.57 0.00 0.00 34.95 33.79 1wx5 s ARG 132 CO 0.03 0.27 1.63 1.33 -1.08 0.00 0.00 175.30 177.48 1wx5 n VAL 133 N -0.23 0.02 -3.48 4.99 0.24 -1.26 -4.93 118.33 113.69 1wx5 n VAL 133 Ca -0.09 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 1wx5 n VAL 133 Cb 0.59 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.63 1wx5 n VAL 133 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1wx5 s ASP 134 N -1.97 -0.50 0.22 -1.34 1.47 -1.26 -5.07 116.67 108.22 1wx5 s ASP 134 Ca 0.36 -0.01 -0.10 0.00 1.18 0.00 0.00 52.55 53.98 1wx5 s ASP 134 Cb 0.21 0.57 0.32 0.00 -0.34 0.00 0.00 42.92 43.67 1wx5 s ASP 134 CO 0.32 -0.91 1.31 -1.54 0.68 0.00 0.00 175.17 175.04 1wx5 n SER 135 N -0.23 -0.39 -3.64 2.11 3.41 -1.26 -4.66 113.62 108.96 1wx5 n SER 135 Ca -0.17 1.46 -0.52 0.00 -0.26 0.00 0.00 58.87 59.38 1wx5 n SER 135 Cb 0.64 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1wx5 n SER 135 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wx5 n ARG 136 N -5.33 0.00 0.00 4.33 1.74 -1.26 -4.84 116.66 111.30 1wx5 n ARG 136 Ca 0.12 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1wx5 n ARG 136 Cb 0.39 -1.26 0.18 0.00 -1.02 0.00 0.00 32.46 30.75 1wx5 n ARG 136 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1wx5 n THR 137 N 5.07 0.00 -3.96 0.55 -2.24 -1.26 -4.87 114.28 107.57 1wx5 n THR 137 Ca 0.42 -0.42 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 1wx5 n THR 137 Cb -0.04 1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 1wx5 n THR 137 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1wx5 s TYR 138 N -2.05 3.46 0.57 4.78 -0.85 -1.26 -0.77 117.35 121.23 1wx5 s TYR 138 Ca 0.29 0.11 -0.18 0.00 -0.52 0.00 0.00 57.07 56.76 1wx5 s TYR 138 Cb 0.20 -1.65 -0.04 0.00 0.38 0.00 0.00 41.96 40.84 1wx5 s TYR 138 CO 0.34 0.52 1.13 -1.17 -1.52 0.00 0.00 175.55 174.84 1wx5 s LEU 139 N -3.22 3.66 0.03 -3.49 2.96 -1.26 -4.87 118.68 112.49 1wx5 s LEU 139 Ca 0.34 2.14 -0.05 0.00 -0.22 0.00 0.00 54.13 56.34 1wx5 s LEU 139 Cb -0.11 -4.57 -0.01 0.00 0.50 0.00 0.00 46.19 41.99 1wx5 s LEU 139 CO 0.28 -1.33 0.08 -0.13 -1.32 0.00 0.00 176.35 173.93 1wx5 s ARG 140 N -3.48 0.53 0.21 1.98 0.52 -1.26 -2.24 118.95 115.21 1wx5 s ARG 140 Ca 0.71 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 55.03 1wx5 s ARG 140 Cb -0.23 0.20 0.04 0.00 0.52 0.00 0.00 34.95 35.48 1wx5 s ARG 140 CO 0.31 -0.12 0.60 1.03 0.02 0.00 0.00 175.30 177.13 1wx5 s ARG 141 N -2.28 1.48 -0.48 3.54 0.52 -0.61 -3.32 118.95 117.80 1wx5 s ARG 141 Ca -0.08 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.37 1wx5 s ARG 141 Cb -0.03 0.57 0.21 0.00 0.52 0.00 0.00 34.95 36.21 1wx5 s ARG 141 CO -0.03 -0.65 0.85 0.45 0.02 0.00 0.00 175.30 175.93 1wx5 n SER 142 N -0.39 -2.93 -4.67 0.23 2.88 0.15 -3.26 113.62 105.63 1wx5 n SER 142 Ca -0.10 -2.66 -0.42 0.00 -1.33 0.00 0.00 58.87 54.37 1wx5 n SER 142 Cb 0.62 1.57 -0.03 0.00 -0.75 0.00 0.00 64.21 65.62 1wx5 n SER 142 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wx5 s LEU 143 N 0.48 4.37 -1.69 2.46 1.43 -1.24 -1.72 118.68 122.76 1wx5 s LEU 143 Ca 0.29 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1wx5 s LEU 143 Cb 0.08 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1wx5 s LEU 143 CO -0.10 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.14 1wx5 n GLY 144 N 4.19 -0.33 0.07 -3.19 0.00 -0.62 -4.91 105.19 100.40 1wx5 n GLY 144 Ca 0.17 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1wx5 n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wx5 h GLY 145 N 0.00 0.00 0.00 -0.02 0.00 -1.46 -3.45 103.07 98.14 1wx5 h GLY 145 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1wx5 h GLY 145 CO 0.55 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.83 1wx5 n SER 146 N -4.67 0.00 -4.77 0.19 2.88 -1.26 -4.84 113.62 101.16 1wx5 n SER 146 Ca -0.07 0.08 -0.40 0.00 -1.33 0.00 0.00 58.87 57.16 1wx5 n SER 146 Cb 0.21 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 1wx5 n SER 146 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wx5 s VAL 147 N -0.17 3.02 0.08 2.46 0.11 -1.26 -4.97 120.40 119.67 1wx5 s VAL 147 Ca 0.00 0.98 -0.36 0.00 -2.93 0.00 0.00 61.98 59.66 1wx5 s VAL 147 Cb 0.00 -3.60 -0.18 0.00 -1.53 0.00 0.00 36.38 31.07 1wx5 s VAL 147 CO 0.00 0.19 1.57 0.00 -3.33 0.00 0.00 175.10 173.53 1wx5 h ALA 148 N 3.24 -1.19 -2.24 1.54 0.00 -1.88 -3.41 119.26 115.32 1wx5 h ALA 148 Ca -0.48 -0.21 -0.33 0.00 0.00 0.00 0.00 54.91 53.88 1wx5 h ALA 148 Cb 1.23 0.68 -0.14 0.00 0.00 0.00 0.00 17.79 19.56 1wx5 h ALA 148 CO 0.65 -1.20 -0.66 -1.21 0.00 0.00 0.00 179.25 176.82 1wx5 s GLU 149 N -5.90 1.21 0.62 0.00 0.41 -1.26 -4.84 118.70 108.94 1wx5 s GLU 149 Ca -0.18 -1.59 -0.07 0.00 -0.41 0.00 0.00 54.97 52.72 1wx5 s GLU 149 Cb 0.04 -0.45 0.02 0.00 -1.78 0.00 0.00 34.13 31.95 1wx5 s GLU 149 CO 0.61 -0.10 0.94 -0.51 -0.49 0.00 0.00 175.26 175.71 1wx5 s LEU 150 N -3.23 3.14 0.35 1.80 1.43 -1.26 -4.98 118.68 115.92 1wx5 s LEU 150 Ca 0.25 0.74 -0.29 0.00 -1.03 0.00 0.00 54.13 53.81 1wx5 s LEU 150 Cb 0.06 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.62 1wx5 s LEU 150 CO 0.06 -1.16 1.52 -2.84 0.23 0.00 0.00 176.35 174.15 1wx5 s PRO 151 N -5.07 4.12 0.65 1.29 0.02 -1.26 -5.00 135.00 129.74 1wx5 s PRO 151 Ca 0.55 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 64.06 1wx5 s PRO 151 Cb -0.11 -2.99 0.01 0.00 0.02 0.00 0.00 34.50 31.44 1wx5 s PRO 151 CO 0.46 -0.56 1.00 0.95 -0.33 0.00 0.00 177.00 178.52 1wx5 s THR 152 N -0.78 3.49 0.39 0.99 -4.23 -1.26 -4.20 115.64 110.04 1wx5 s THR 152 Ca 0.56 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 61.35 1wx5 s THR 152 Cb -0.47 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.12 1wx5 s THR 152 CO 0.58 -0.51 1.95 -0.09 -0.54 0.00 0.00 174.62 176.01 1wx5 h ARG 153 N -0.42 0.31 0.84 3.99 9.65 -1.95 -1.95 114.38 124.85 1wx5 h ARG 153 Ca -0.45 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 1wx5 h ARG 153 Cb 1.26 -0.05 0.01 0.00 -1.39 0.00 0.00 29.97 29.80 1wx5 h ARG 153 CO 0.62 0.37 -0.41 0.00 2.80 0.00 0.00 179.97 183.36 1wx5 h ALA 154 N 1.66 -1.13 -0.59 2.80 0.00 -1.96 -1.03 119.26 119.00 1wx5 h ALA 154 Ca 0.07 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.84 1wx5 h ALA 154 Cb 0.28 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1wx5 h ALA 154 CO 0.01 -1.10 0.02 0.93 0.00 0.00 0.00 179.25 179.12 1wx5 h GLU 155 N -1.22 0.13 -0.69 0.00 5.08 -1.90 -0.19 114.58 115.80 1wx5 h GLU 155 Ca -0.12 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1wx5 h GLU 155 Cb 0.88 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 1wx5 h GLU 155 CO 0.19 0.09 0.43 0.28 -1.00 0.00 0.00 179.01 179.00 1wx5 h VAL 156 N 0.14 1.09 -0.66 3.13 2.07 -1.28 -1.81 116.25 118.93 1wx5 h VAL 156 Ca 0.31 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1wx5 h VAL 156 Cb 0.49 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1wx5 h VAL 156 CO -0.49 0.15 0.15 -0.08 0.02 0.00 0.00 177.57 177.32 1wx5 h GLU 157 N 0.84 1.06 -0.44 1.57 4.81 0.23 -0.28 114.58 122.38 1wx5 h GLU 157 Ca 0.28 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1wx5 h GLU 157 Cb 0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1wx5 h GLU 157 CO -0.11 0.94 0.25 0.66 -0.73 0.00 0.00 179.01 180.03 1wx5 h SER 158 N 1.00 0.52 0.59 1.04 4.64 -0.53 -1.00 113.55 119.81 1wx5 h SER 158 Ca 0.21 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.28 1wx5 h SER 158 Cb 0.37 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1wx5 h SER 158 CO 0.00 0.41 -0.99 0.58 -0.87 0.00 0.00 176.83 175.96 1wx5 h VAL 159 N 0.60 1.50 0.00 0.95 2.07 -0.57 -3.16 116.25 117.65 1wx5 h VAL 159 Ca 0.16 -2.77 -0.08 0.00 0.82 0.00 0.00 66.70 64.83 1wx5 h VAL 159 Cb -0.01 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1wx5 h VAL 159 CO -0.03 0.81 -0.36 -0.07 0.02 0.00 0.00 177.57 177.94 1wx5 h LEU 160 N 0.11 0.00 -1.56 2.57 3.38 -0.35 -3.01 115.31 116.46 1wx5 h LEU 160 Ca -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1wx5 h LEU 160 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1wx5 h LEU 160 CO 0.16 0.36 -0.22 0.00 0.09 0.00 0.00 178.44 178.83 1wx5 h ALA 161 N 1.64 1.30 -2.11 1.53 0.00 -1.17 -3.43 119.26 117.02 1wx5 h ALA 161 Ca -0.00 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.14 1wx5 h ALA 161 Cb 0.76 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wx5 h ALA 161 CO 0.05 0.28 1.24 0.42 0.00 0.00 0.00 179.25 181.23 1wx5 s ILE 162 N -4.14 3.37 0.13 0.00 1.01 -1.14 -4.89 121.20 115.54 1wx5 s ILE 162 Ca -0.02 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 1wx5 s ILE 162 Cb 0.13 -3.37 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 1wx5 s ILE 162 CO 0.65 -0.15 1.42 0.77 0.00 0.00 0.00 174.94 177.63 1wx5 h SER 163 N 11.67 0.95 -2.48 3.58 4.64 -1.90 -3.40 113.55 126.61 1wx5 h SER 163 Ca -0.39 -0.51 -0.56 0.00 -0.47 0.00 0.00 61.79 59.86 1wx5 h SER 163 Cb 1.19 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1wx5 h SER 163 CO 0.98 1.30 1.22 0.00 -0.87 0.00 0.00 176.83 179.46 1wx5 s ALA 164 N -4.13 3.34 0.11 5.18 0.00 -1.26 -4.75 121.76 120.25 1wx5 s ALA 164 Ca -0.10 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 1wx5 s ALA 164 Cb 0.10 -3.87 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1wx5 s ALA 164 CO 0.89 -1.87 1.65 -0.92 0.00 0.00 0.00 175.76 175.50 1wx5 h TYR 165 N 11.21 -0.61 -2.90 0.00 5.03 -1.84 0.33 116.97 128.19 1wx5 h TYR 165 Ca -0.41 0.01 0.03 0.00 2.58 0.00 0.00 58.73 60.95 1wx5 h TYR 165 Cb 1.20 0.25 -0.10 0.00 1.55 0.00 0.00 36.73 39.64 1wx5 h TYR 165 CO 0.92 -0.33 0.26 0.34 -1.32 0.00 0.00 178.16 178.03 1wx5 s ASP 166 N -4.84 -0.43 0.07 -2.11 -1.08 -1.26 0.55 116.67 107.57 1wx5 s ASP 166 Ca -0.15 -0.23 -0.08 0.00 -0.52 0.00 0.00 52.55 51.57 1wx5 s ASP 166 Cb 0.08 0.62 -0.00 0.00 -1.46 0.00 0.00 42.92 42.15 1wx5 s ASP 166 CO 0.65 -1.06 0.17 -0.76 0.52 0.00 0.00 175.17 174.69 1wx5 s LEU 167 N -2.80 1.49 0.54 -1.34 1.43 -1.24 -4.87 118.68 111.90 1wx5 s LEU 167 Ca 0.05 -0.59 -0.21 0.00 -1.03 0.00 0.00 54.13 52.36 1wx5 s LEU 167 Cb -0.03 0.94 -0.06 0.00 0.03 0.00 0.00 46.19 47.07 1wx5 s LEU 167 CO -0.05 -0.66 1.05 -2.65 0.23 0.00 0.00 176.35 174.27 1wx5 n PRO 168 N 0.20 1.18 0.00 1.29 -0.02 -1.26 -0.14 135.00 136.25 1wx5 n PRO 168 Ca -0.16 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1wx5 n PRO 168 Cb 0.61 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1wx5 n PRO 168 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wx5 n PRO 169 N -0.70 0.94 -3.71 0.52 -0.04 -1.26 -4.74 135.00 126.01 1wx5 n PRO 169 Ca 0.12 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.29 1wx5 n PRO 169 Cb 0.45 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.62 1wx5 n PRO 169 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wx5 n TYR 170 N -0.15 -1.98 -3.31 0.54 4.02 0.80 -4.96 117.16 112.12 1wx5 n TYR 170 Ca 0.00 0.56 -0.02 0.00 -0.01 0.00 0.00 57.90 58.43 1wx5 n TYR 170 Cb 0.15 -3.23 0.01 0.00 -0.02 0.00 0.00 39.34 36.25 1wx5 n TYR 170 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1wx5 n ASN 171 N -2.45 -0.52 -0.64 7.72 0.23 -1.26 -4.49 115.26 113.86 1wx5 n ASN 171 Ca -0.14 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.58 1wx5 n ASN 171 Cb 0.60 0.86 0.00 0.00 -2.08 0.00 0.00 39.78 39.16 1wx5 n ASN 171 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1wx5 n SER 172 N -1.00 0.30 0.00 0.53 3.41 -1.25 -1.16 113.62 114.45 1wx5 n SER 172 Ca -0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.21 1wx5 n SER 172 Cb 0.14 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1wx5 n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wx5 n ALA 173 N 0.54 0.74 -1.79 7.33 0.00 -1.26 -4.68 120.51 121.39 1wx5 n ALA 173 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 1wx5 n ALA 173 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1wx5 n ALA 173 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wx5 s SER 174 N -0.07 6.17 0.45 0.00 0.01 -0.31 -4.88 113.70 115.07 1wx5 s SER 174 Ca 0.00 1.54 0.05 0.00 1.31 0.00 0.00 55.95 58.85 1wx5 s SER 174 Cb 0.00 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.75 1wx5 s SER 174 CO 0.00 -0.91 0.64 -1.61 0.41 0.00 0.00 173.24 171.77 1wx5 s GLU 175 N -4.68 2.80 0.00 12.44 0.41 -1.26 -4.80 118.70 123.61 1wx5 s GLU 175 Ca 0.58 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 1wx5 s GLU 175 Cb -0.12 -2.65 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 1wx5 s GLU 175 CO 0.45 -0.37 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 1wx5 n GLY 176 N -2.01 2.34 0.00 -1.39 0.00 -1.26 -3.66 105.19 99.20 1wx5 n GLY 176 Ca 0.06 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1wx5 n GLY 176 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wx5 n PHE 177 N -0.02 0.00 -0.22 1.61 7.35 0.12 -2.35 117.46 123.94 1wx5 n PHE 177 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1wx5 n PHE 177 Cb 0.00 -0.48 -0.05 0.00 0.35 0.00 0.00 39.48 39.29 1wx5 n PHE 177 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1wx5 n ARG 178 N -2.42 -0.23 0.22 -4.13 0.00 0.19 -0.22 116.66 110.06 1wx5 n ARG 178 Ca 0.00 0.89 0.06 0.00 -0.00 0.00 0.00 57.85 58.79 1wx5 n ARG 178 Cb 0.00 -1.31 0.48 0.00 0.00 0.00 0.00 32.46 31.64 1wx5 n ARG 178 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1wx5 h ASN 179 N 0.00 0.00 0.79 6.15 -1.24 -1.80 -0.51 115.58 118.98 1wx5 h ASN 179 Ca 0.09 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.85 1wx5 h ASN 179 Cb 0.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1wx5 h ASN 179 CO -0.50 0.24 -1.17 0.45 -1.29 0.00 0.00 177.43 175.16 1wx5 h HIS 180 N 0.00 0.23 -0.33 0.67 3.86 -0.25 -0.59 115.15 118.73 1wx5 h HIS 180 Ca -0.00 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 58.94 1wx5 h HIS 180 Cb 0.46 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1wx5 h HIS 180 CO 0.00 1.14 -0.20 1.25 0.86 0.00 0.00 177.93 180.98 1wx5 h LEU 181 N 0.03 0.62 -0.35 2.43 5.85 -0.14 -2.72 115.31 121.04 1wx5 h LEU 181 Ca -0.09 -0.20 -0.19 0.00 0.84 0.00 0.00 57.88 58.23 1wx5 h LEU 181 Cb 1.88 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 1wx5 h LEU 181 CO 0.16 0.82 -0.69 -0.08 -0.34 0.00 0.00 178.44 178.31 1wx5 h GLU 182 N 0.56 0.59 0.00 1.25 4.81 -1.06 -1.06 114.58 119.67 1wx5 h GLU 182 Ca 0.09 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1wx5 h GLU 182 Cb 0.65 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1wx5 h GLU 182 CO 0.05 1.07 0.00 0.41 -0.73 0.00 0.00 179.01 179.80 1wx5 n GLY 183 N 0.52 0.64 0.27 1.92 0.00 -0.25 -0.18 105.19 108.11 1wx5 n GLY 183 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 1wx5 n GLY 183 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1wx5 h TRP 184 N 0.00 0.64 -3.23 1.61 4.06 -1.81 -3.40 115.95 113.82 1wx5 h TRP 184 Ca 0.00 -0.08 -0.51 0.00 2.06 0.00 0.00 58.89 60.36 1wx5 h TRP 184 Cb 0.00 -0.18 -0.17 0.00 -1.00 0.00 0.00 29.16 27.81 1wx5 h TRP 184 CO 0.00 0.63 -0.77 1.03 -3.56 0.00 0.00 178.44 175.76 1wx5 s ARG 185 N -4.95 1.28 2.11 0.49 3.00 -1.24 -4.99 118.95 114.65 1wx5 s ARG 185 Ca -0.08 -1.43 0.00 0.00 0.00 0.00 0.00 55.73 54.22 1wx5 s ARG 185 Cb 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 34.95 33.80 1wx5 s ARG 185 CO 0.78 0.26 0.00 0.41 0.00 0.00 0.00 175.30 176.75 1wx5 n GLY 186 N 0.20 -1.00 0.31 -3.53 0.00 -1.26 -4.06 105.19 95.85 1wx5 n GLY 186 Ca -0.12 -1.32 0.19 0.00 0.00 0.00 0.00 46.02 44.76 1wx5 n GLY 186 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wx5 h VAL 187 N 0.00 0.18 -3.59 1.61 -1.51 -1.92 -3.48 116.25 107.54 1wx5 h VAL 187 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1wx5 h VAL 187 Cb 0.00 1.13 -0.04 0.00 -2.13 0.00 0.00 31.29 30.26 1wx5 h VAL 187 CO 0.00 0.02 -0.60 -3.20 -1.23 0.00 0.00 177.57 172.56 1wx5 n ASN 188 N -3.31 -2.86 0.00 4.19 5.15 -1.26 -5.01 115.26 112.16 1wx5 n ASN 188 Ca -0.02 0.68 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 1wx5 n ASN 188 Cb 0.13 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 36.52 1wx5 n ASN 188 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1wx5 n LEU 189 N 0.77 0.00 -0.24 1.20 4.77 -1.23 -4.47 117.00 117.79 1wx5 n LEU 189 Ca -0.11 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1wx5 n LEU 189 Cb 0.18 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1wx5 n LEU 189 CO 0.11 0.00 0.66 -0.74 -1.33 0.00 0.00 177.39 176.09 1wx5 h HIS 190 N 0.00 -0.72 -0.64 -1.77 6.17 -1.28 -2.06 115.15 114.85 1wx5 h HIS 190 Ca 0.00 0.07 0.06 0.00 0.71 0.00 0.00 60.37 61.21 1wx5 h HIS 190 Cb 0.00 0.42 -0.06 0.00 2.52 0.00 0.00 27.41 30.30 1wx5 h HIS 190 CO 0.00 -0.36 0.34 -0.91 0.71 0.00 0.00 177.93 177.71 1wx5 h ASN 191 N -0.08 0.48 0.13 3.26 4.21 -0.80 -2.44 115.58 120.34 1wx5 h ASN 191 Ca 0.30 0.04 -0.05 0.00 1.21 0.00 0.00 56.30 57.79 1wx5 h ASN 191 Cb 0.55 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1wx5 h ASN 191 CO -0.75 0.31 -0.19 -0.09 -1.29 0.00 0.00 177.43 175.43 1wx5 h ARG 192 N 0.62 0.13 -0.07 0.81 2.43 -1.60 -2.89 114.38 113.80 1wx5 h ARG 192 Ca 0.29 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1wx5 h ARG 192 Cb 0.20 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1wx5 h ARG 192 CO -0.19 0.32 0.02 0.28 -1.51 0.00 0.00 179.97 178.89 1wx5 h VAL 193 N 0.13 1.17 -0.62 0.20 2.07 -1.09 -0.21 116.25 117.90 1wx5 h VAL 193 Ca 0.02 -0.50 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1wx5 h VAL 193 Cb 0.41 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1wx5 h VAL 193 CO 0.03 0.14 0.29 0.45 0.02 0.00 0.00 177.57 178.50 1wx5 h HIS 194 N -0.07 0.52 -0.21 1.57 3.86 -1.36 -0.80 115.15 118.66 1wx5 h HIS 194 Ca 0.02 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1wx5 h HIS 194 Cb 0.21 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1wx5 h HIS 194 CO -0.01 0.19 -0.06 0.28 0.86 0.00 0.00 177.93 179.20 1wx5 h VAL 195 N 0.52 1.17 -0.31 2.45 2.07 -1.31 -2.74 116.25 118.09 1wx5 h VAL 195 Ca 0.30 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1wx5 h VAL 195 Cb 0.29 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1wx5 h VAL 195 CO -0.24 0.23 -0.17 -0.25 0.02 0.00 0.00 177.57 177.15 1wx5 h TRP 196 N 0.31 0.76 -0.03 1.57 7.01 0.42 -3.05 115.95 122.94 1wx5 h TRP 196 Ca 0.07 -0.20 -0.08 0.00 2.11 0.00 0.00 58.89 60.79 1wx5 h TRP 196 Cb 0.31 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1wx5 h TRP 196 CO 0.01 0.89 -0.37 0.28 -2.79 0.00 0.00 178.44 176.46 1wx5 h VAL 197 N 0.41 1.28 -0.19 2.65 2.07 -1.31 -1.65 116.25 119.50 1wx5 h VAL 197 Ca 0.07 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1wx5 h VAL 197 Cb 0.71 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1wx5 h VAL 197 CO 0.05 0.38 0.00 0.61 0.02 0.00 0.00 177.57 178.63 1wx5 n GLY 198 N -0.42 0.56 7.00 2.17 0.00 -1.04 0.32 105.19 113.77 1wx5 n GLY 198 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1wx5 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx5 n GLY 199 N 0.00 2.93 0.08 -0.02 0.00 -1.25 -1.69 105.19 105.23 1wx5 n GLY 199 Ca 0.00 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.81 1wx5 n GLY 199 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wx5 n GLN 200 N 14.00 0.18 0.21 1.61 3.00 -1.21 -3.34 117.38 131.83 1wx5 n GLN 200 Ca 0.00 0.16 0.07 0.00 -0.01 0.00 0.00 57.00 57.22 1wx5 n GLN 200 Cb 0.00 -1.72 0.46 0.00 0.00 0.00 0.00 30.24 28.98 1wx5 n GLN 200 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wx5 h MET 201 N 0.00 0.00 -0.71 -1.09 2.86 -1.53 -2.74 114.93 111.73 1wx5 h MET 201 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1wx5 h MET 201 Cb 0.65 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 1wx5 h MET 201 CO 0.00 0.30 0.14 0.00 1.06 0.00 0.00 176.91 178.41 1wx5 n ALA 202 N -2.34 4.14 -4.08 6.32 0.00 -1.16 -4.62 120.51 118.78 1wx5 n ALA 202 Ca -0.01 -1.96 -0.17 0.00 0.00 0.00 0.00 53.44 51.30 1wx5 n ALA 202 Cb 0.40 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 1wx5 n ALA 202 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1wx5 n THR 203 N 0.20 0.00 -0.02 0.00 -2.24 -1.05 -4.95 114.28 106.22 1wx5 n THR 203 Ca 0.32 -1.45 -0.07 0.00 -2.27 0.00 0.00 64.05 60.58 1wx5 n THR 203 Cb 1.23 0.52 0.12 0.00 -2.10 0.00 0.00 70.33 70.10 1wx5 n THR 203 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wx5 h GLY 204 N 0.99 0.63 -4.37 3.38 0.00 -1.92 -3.12 103.07 98.66 1wx5 h GLY 204 Ca -0.19 -0.59 -0.55 0.00 0.00 0.00 0.00 47.33 45.99 1wx5 h GLY 204 CO 0.31 0.54 0.61 3.33 0.00 0.00 0.00 176.54 181.33 1wx5 n VAL 205 N -4.06 3.32 0.05 4.60 0.24 -1.26 -4.35 118.33 116.87 1wx5 n VAL 205 Ca -0.01 -3.02 0.02 0.00 -2.04 0.00 0.00 64.34 59.29 1wx5 n VAL 205 Cb 0.48 -1.41 0.38 0.00 -1.47 0.00 0.00 33.84 31.83 1wx5 n VAL 205 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1wx5 h SER 206 N 2.58 0.38 0.06 -1.34 4.64 -1.44 -2.46 113.55 115.97 1wx5 h SER 206 Ca 0.44 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1wx5 h SER 206 Cb 0.61 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1wx5 h SER 206 CO 1.08 0.41 0.00 -2.65 -0.87 0.00 0.00 176.83 174.80 1wx5 n PRO 207 N -4.36 0.12 0.07 4.77 -0.02 -1.26 -1.52 135.00 132.80 1wx5 n PRO 207 Ca 0.01 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 1wx5 n PRO 207 Cb 0.18 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 32.74 1wx5 n PRO 207 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1wx5 h ASN 208 N 0.00 0.17 -3.44 2.55 2.35 -1.76 -3.38 115.58 112.07 1wx5 h ASN 208 Ca 0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.16 1wx5 h ASN 208 Cb 0.03 -0.04 -0.10 0.00 0.05 0.00 0.00 38.32 38.26 1wx5 h ASN 208 CO 0.00 0.11 -0.08 -0.62 -1.65 0.00 0.00 177.43 175.19 1wx5 s ASP 209 N -6.59 6.56 0.61 5.81 -1.08 -0.58 -4.96 116.67 116.44 1wx5 s ASP 209 Ca -0.06 0.67 0.32 0.00 -0.52 0.00 0.00 52.55 52.96 1wx5 s ASP 209 Cb 0.18 -2.28 1.88 0.00 -1.46 0.00 0.00 42.92 41.24 1wx5 s ASP 209 CO 0.71 -0.13 2.21 -0.65 0.52 0.00 0.00 175.17 177.83 1wx5 h PRO 210 N 7.33 0.00 0.00 4.34 0.11 -1.87 -1.03 132.00 140.88 1wx5 h PRO 210 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1wx5 h PRO 210 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wx5 h PRO 210 CO 0.74 0.00 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.19 1wx5 h VAL 211 N 0.00 0.73 -0.87 3.15 3.04 -1.93 -2.95 116.25 117.42 1wx5 h VAL 211 Ca 0.03 -0.38 0.16 0.00 -1.01 0.00 0.00 66.70 65.50 1wx5 h VAL 211 Cb 0.21 1.23 -0.16 0.00 -2.01 0.00 0.00 31.29 30.56 1wx5 h VAL 211 CO -0.00 0.09 -0.28 0.15 -1.01 0.00 0.00 177.57 176.52 1wx5 h PHE 212 N 0.00 -0.71 0.00 3.17 3.04 -1.46 0.12 116.94 121.10 1wx5 h PHE 212 Ca -0.00 0.09 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 1wx5 h PHE 212 Cb 0.22 0.44 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 1wx5 h PHE 212 CO 0.00 -0.39 -0.31 -1.49 -2.02 0.00 0.00 178.31 174.10 1wx5 h TRP 213 N -0.03 0.00 0.01 0.41 4.06 -1.73 -1.82 115.95 116.85 1wx5 h TRP 213 Ca 0.38 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 61.16 1wx5 h TRP 213 Cb 0.62 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.79 1wx5 h TRP 213 CO -0.73 0.31 -0.67 -0.07 -3.56 0.00 0.00 178.44 173.72 1wx5 h LEU 214 N 0.00 0.57 0.03 -4.49 4.07 -0.97 -0.83 115.31 113.69 1wx5 h LEU 214 Ca -0.00 -0.78 -0.00 0.00 0.08 0.00 0.00 57.88 57.18 1wx5 h LEU 214 Cb 0.59 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 1wx5 h LEU 214 CO 0.04 1.27 -0.04 -0.74 -1.08 0.00 0.00 178.44 177.89 1wx5 h HIS 215 N -0.08 -0.10 -0.20 1.13 -0.00 -0.98 -1.93 115.15 112.99 1wx5 h HIS 215 Ca -0.09 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1wx5 h HIS 215 Cb 1.39 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.83 1wx5 h HIS 215 CO 0.15 -0.05 0.34 0.45 -0.00 0.00 0.00 177.93 178.82 1wx5 h HIS 216 N -0.07 0.00 0.00 5.26 3.86 -1.43 1.09 115.15 123.86 1wx5 h HIS 216 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1wx5 h HIS 216 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1wx5 h HIS 216 CO -0.14 0.00 -0.25 0.00 0.86 0.00 0.00 177.93 178.40 1wx5 h ALA 217 N 1.51 0.99 0.18 2.45 0.00 -0.69 -0.50 119.26 123.20 1wx5 h ALA 217 Ca 0.09 -0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 1wx5 h ALA 217 Cb 0.77 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wx5 h ALA 217 CO -0.00 0.31 -1.71 -0.92 0.00 0.00 0.00 179.25 176.93 1wx5 h TYR 218 N 0.00 0.70 -0.95 0.00 3.20 0.18 -2.46 116.97 117.65 1wx5 h TYR 218 Ca -0.00 -0.51 0.05 0.00 3.14 0.00 0.00 58.73 61.40 1wx5 h TYR 218 Cb 0.82 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 1wx5 h TYR 218 CO 0.00 1.63 0.62 0.28 -1.64 0.00 0.00 178.16 179.05 1wx5 h VAL 219 N 0.11 1.13 -0.41 1.81 2.07 -1.16 0.29 116.25 120.09 1wx5 h VAL 219 Ca -0.33 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 1wx5 h VAL 219 Cb 2.10 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1wx5 h VAL 219 CO 0.18 0.21 -0.10 -0.78 0.02 0.00 0.00 177.57 177.10 1wx5 h ASP 220 N 1.16 0.71 0.12 0.57 3.58 -1.15 -2.32 116.42 119.09 1wx5 h ASP 220 Ca 0.39 -0.20 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 1wx5 h ASP 220 Cb 0.07 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1wx5 h ASP 220 CO -0.13 0.84 -0.40 0.50 -2.88 0.00 0.00 179.24 177.17 1wx5 h LYS 221 N 0.66 0.37 -0.71 0.28 3.64 -0.45 -2.69 116.57 117.67 1wx5 h LYS 221 Ca 0.12 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1wx5 h LYS 221 Cb 0.56 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1wx5 h LYS 221 CO 0.03 0.71 0.30 -0.07 -2.27 0.00 0.00 179.45 178.15 1wx5 h LEU 222 N 0.31 0.96 -0.46 5.20 3.38 -0.02 -1.65 115.31 123.03 1wx5 h LEU 222 Ca 0.03 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1wx5 h LEU 222 Cb 0.84 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1wx5 h LEU 222 CO 0.07 0.85 0.25 -0.25 0.09 0.00 0.00 178.44 179.46 1wx5 h TRP 223 N 1.00 0.47 -0.39 1.13 7.01 -1.14 0.10 115.95 124.14 1wx5 h TRP 223 Ca 0.24 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 1wx5 h TRP 223 Cb 0.18 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 1wx5 h TRP 223 CO 0.01 0.26 0.12 0.00 -2.79 0.00 0.00 178.44 176.04 1wx5 h ALA 224 N 1.22 1.48 -0.17 2.65 0.00 -1.17 -0.09 119.26 123.18 1wx5 h ALA 224 Ca 0.19 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1wx5 h ALA 224 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wx5 h ALA 224 CO -0.11 0.39 -0.64 0.93 0.00 0.00 0.00 179.25 179.82 1wx5 h GLU 225 N 0.55 0.62 0.12 0.00 3.07 -0.31 -3.01 114.58 115.62 1wx5 h GLU 225 Ca 0.13 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 1wx5 h GLU 225 Cb 0.18 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1wx5 h GLU 225 CO -0.01 1.06 -0.06 2.35 -1.40 0.00 0.00 179.01 180.96 1wx5 h TRP 226 N 0.45 -0.15 -1.23 4.33 7.01 -0.34 -2.46 115.95 123.57 1wx5 h TRP 226 Ca -0.01 -0.00 0.36 0.00 2.11 0.00 0.00 58.89 61.34 1wx5 h TRP 226 Cb 1.22 0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 28.23 1wx5 h TRP 226 CO 0.06 0.19 0.82 1.96 -2.79 0.00 0.00 178.44 178.67 1wx5 h GLN 227 N -0.49 0.18 0.01 2.65 4.20 -1.05 0.10 115.11 120.71 1wx5 h GLN 227 Ca -0.02 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.49 1wx5 h GLN 227 Cb 0.40 -0.04 0.02 0.00 0.30 0.00 0.00 27.48 28.15 1wx5 h GLN 227 CO 0.03 0.12 -0.75 -0.09 -0.67 0.00 0.00 178.83 177.47 1wx5 h ARG 228 N 0.18 0.50 -0.62 1.46 2.43 -1.37 -3.20 114.38 113.75 1wx5 h ARG 228 Ca 0.69 -0.54 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1wx5 h ARG 228 Cb 2.17 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 31.85 1wx5 h ARG 228 CO -0.26 1.18 0.18 0.00 -1.51 0.00 0.00 179.97 179.56 1wx5 h ARG 229 N 0.04 0.98 -3.44 0.20 -0.00 -0.42 -3.36 114.38 108.38 1wx5 h ARG 229 Ca -0.09 -0.22 -0.65 0.00 -0.50 0.00 0.00 59.98 58.51 1wx5 h ARG 229 Cb 1.45 -0.14 -0.40 0.00 0.00 0.00 0.00 29.97 30.88 1wx5 h ARG 229 CO 0.15 0.88 -0.58 -1.01 0.00 0.00 0.00 179.97 179.40 1wx5 s HIS 230 N -5.37 3.23 0.25 3.04 3.76 -0.05 -4.94 115.29 115.20 1wx5 s HIS 230 Ca -0.12 -3.09 0.17 0.00 -0.15 0.00 0.00 55.06 51.86 1wx5 s HIS 230 Cb 0.13 -2.89 0.69 0.00 1.11 0.00 0.00 32.58 31.62 1wx5 s HIS 230 CO 0.82 -0.76 1.76 -1.35 -0.85 0.00 0.00 174.74 174.35 1wx5 h PRO 231 N 6.60 0.00 0.00 8.40 0.11 -1.71 -3.08 132.00 142.32 1wx5 h PRO 231 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1wx5 h PRO 231 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1wx5 h PRO 231 CO 0.69 0.40 -0.55 -0.44 -0.21 0.00 0.00 178.00 177.90 1wx5 h ASP 232 N 0.00 0.00 -3.98 -2.05 3.32 -1.92 -3.45 116.42 108.34 1wx5 h ASP 232 Ca -0.00 -0.03 -0.46 0.00 0.02 0.00 0.00 57.03 56.56 1wx5 h ASP 232 Cb 0.84 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1wx5 h ASP 232 CO 0.05 0.02 0.35 -0.44 -1.72 0.00 0.00 179.24 177.49 1wx5 s SER 233 N -5.42 7.11 0.23 6.45 0.01 -1.17 -5.05 113.70 115.87 1wx5 s SER 233 Ca 0.04 1.78 -0.11 0.00 1.31 0.00 0.00 55.95 58.97 1wx5 s SER 233 Cb 0.09 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 1wx5 s SER 233 CO 0.73 -0.24 0.41 0.00 0.41 0.00 0.00 173.24 174.55 1wx5 s ALA 234 N -1.89 -0.01 0.20 1.44 0.00 -1.26 -5.00 121.76 115.24 1wx5 s ALA 234 Ca 0.56 -1.00 -0.32 0.00 0.00 0.00 0.00 51.96 51.20 1wx5 s ALA 234 Cb -0.14 1.11 -0.13 0.00 0.00 0.00 0.00 23.12 23.95 1wx5 s ALA 234 CO 0.19 -0.80 1.61 0.98 0.00 0.00 0.00 175.76 177.74 1wx5 n TYR 235 N -0.35 2.49 -4.09 0.00 9.36 -1.26 -4.61 117.16 118.70 1wx5 n TYR 235 Ca -0.02 0.21 -0.10 0.00 3.32 0.00 0.00 57.90 61.31 1wx5 n TYR 235 Cb 0.63 -2.58 -0.11 0.00 -0.63 0.00 0.00 39.34 36.65 1wx5 n TYR 235 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1wx5 s VAL 236 N 0.75 0.48 0.79 2.97 -7.23 -1.26 -4.60 120.40 112.28 1wx5 s VAL 236 Ca 0.74 -1.49 -0.12 0.00 -1.81 0.00 0.00 61.98 59.30 1wx5 s VAL 236 Cb -0.59 -1.10 0.07 0.00 0.56 0.00 0.00 36.38 35.31 1wx5 s VAL 236 CO 0.39 -0.68 1.14 -2.16 -0.31 0.00 0.00 175.10 173.47 1wx5 s PRO 237 N -2.78 1.95 -0.17 4.82 0.04 -1.26 -4.75 135.00 132.85 1wx5 s PRO 237 Ca -0.00 1.47 0.17 0.00 0.04 0.00 0.00 61.00 62.67 1wx5 s PRO 237 Cb -0.01 -1.84 0.77 0.00 0.04 0.00 0.00 34.50 33.46 1wx5 s PRO 237 CO -0.03 -1.92 1.69 0.25 0.04 0.00 0.00 177.00 177.02 1wx5 n THR 238 N -3.35 2.24 0.00 1.26 -2.24 -1.26 -0.61 114.28 110.31 1wx5 n THR 238 Ca 0.11 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.60 1wx5 n THR 238 Cb 0.52 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1wx5 n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wx5 n GLY 239 N 0.92 4.60 2.18 3.38 0.00 -1.26 -4.72 105.19 110.29 1wx5 n GLY 239 Ca 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1wx5 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wx5 n GLY 240 N -1.43 2.27 3.63 -0.02 0.00 -1.26 -5.01 105.19 103.37 1wx5 n GLY 240 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1wx5 n GLY 240 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wx5 s THR 241 N -2.47 3.64 0.43 2.61 2.01 -1.26 -4.97 115.64 115.62 1wx5 s THR 241 Ca 0.00 0.71 -0.24 0.00 0.31 0.00 0.00 61.69 62.47 1wx5 s THR 241 Cb 0.00 -3.68 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 1wx5 s THR 241 CO 0.00 -0.30 1.19 -2.16 -0.69 0.00 0.00 174.62 172.66 1wx5 s PRO 242 N 4.84 3.90 0.00 4.92 0.04 -1.26 -3.14 135.00 144.30 1wx5 s PRO 242 Ca 0.73 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1wx5 s PRO 242 Cb -0.25 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1wx5 s PRO 242 CO 0.30 -0.45 0.00 -0.25 0.04 0.00 0.00 177.00 176.64 1wx5 n ASP 243 N -0.17 0.00 -4.10 6.66 8.00 -1.26 -4.95 116.55 120.73 1wx5 n ASP 243 Ca 0.06 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.30 1wx5 n ASP 243 Cb 0.47 -1.12 -0.16 0.00 -0.02 0.00 0.00 41.12 40.29 1wx5 n ASP 243 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wx5 s VAL 244 N -2.41 1.34 -0.04 2.53 1.01 -1.19 -1.94 120.40 119.70 1wx5 s VAL 244 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1wx5 s VAL 244 Cb 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 36.38 35.15 1wx5 s VAL 244 CO 0.00 0.39 1.60 -0.69 0.00 0.00 0.00 175.10 176.41 1wx5 s VAL 245 N 0.24 3.58 0.30 2.92 1.01 -1.26 -4.69 120.40 122.48 1wx5 s VAL 245 Ca -0.08 0.77 -0.05 0.00 0.00 0.00 0.00 61.98 62.62 1wx5 s VAL 245 Cb -0.13 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1wx5 s VAL 245 CO 0.03 -0.05 0.57 -1.81 0.00 0.00 0.00 175.10 173.83 1wx5 s ASP 246 N 3.01 6.45 0.19 3.32 1.11 -1.26 -4.52 116.67 124.97 1wx5 s ASP 246 Ca 0.71 0.74 -0.03 0.00 0.18 0.00 0.00 52.55 54.15 1wx5 s ASP 246 Cb -0.33 -2.15 0.37 0.00 1.07 0.00 0.00 42.92 41.88 1wx5 s ASP 246 CO 0.29 -0.21 1.04 -0.11 1.18 0.00 0.00 175.17 177.36 1wx5 n LEU 247 N -0.97 -0.19 -1.79 1.23 7.94 0.22 -0.35 117.00 123.08 1wx5 n LEU 247 Ca -0.01 1.15 0.07 0.00 -1.11 0.00 0.00 56.01 56.11 1wx5 n LEU 247 Cb 0.54 -0.37 0.39 0.00 0.53 0.00 0.00 43.42 44.51 1wx5 n LEU 247 CO 0.48 -1.12 0.86 0.59 -1.11 0.00 0.00 177.39 177.09 1wx5 n ASN 248 N -5.02 5.51 -4.87 1.96 5.03 -1.26 -1.61 115.26 115.00 1wx5 n ASN 248 Ca 0.12 -2.87 -0.35 0.00 0.87 0.00 0.00 54.58 52.35 1wx5 n ASN 248 Cb 0.39 -0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 38.43 1wx5 n ASN 248 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1wx5 s GLU 249 N -2.65 3.38 0.57 3.52 2.02 0.52 -5.00 118.70 121.07 1wx5 s GLU 249 Ca 0.54 -0.24 -0.16 0.00 0.02 0.00 0.00 54.97 55.13 1wx5 s GLU 249 Cb 0.40 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 31.48 1wx5 s GLU 249 CO 0.17 0.73 1.05 0.95 0.02 0.00 0.00 175.26 178.18 1wx5 s THR 250 N -1.12 3.89 0.06 3.63 -4.23 -1.26 -4.03 115.64 112.57 1wx5 s THR 250 Ca 0.19 0.93 0.03 0.00 -1.18 0.00 0.00 61.69 61.66 1wx5 s THR 250 Cb -0.12 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.25 1wx5 s THR 250 CO 0.09 -0.50 0.04 -0.04 -0.54 0.00 0.00 174.62 173.68 1wx5 s MET 251 N -3.99 2.80 0.47 3.99 -1.94 0.27 -4.88 119.30 116.02 1wx5 s MET 251 Ca 0.63 -0.69 -0.14 0.00 -1.71 0.00 0.00 55.69 53.78 1wx5 s MET 251 Cb -0.15 -2.68 -0.07 0.00 2.01 0.00 0.00 34.83 33.93 1wx5 s MET 251 CO 0.34 0.58 0.90 0.15 -0.01 0.00 0.00 175.02 176.98 1wx5 s LYS 252 N -2.13 3.90 0.00 2.03 3.01 -1.26 0.42 119.74 125.71 1wx5 s LYS 252 Ca 0.26 0.78 0.14 0.00 -1.01 0.00 0.00 55.97 56.14 1wx5 s LYS 252 Cb -0.12 -2.24 0.42 0.00 -1.01 0.00 0.00 37.83 34.88 1wx5 s LYS 252 CO 0.18 -0.16 1.34 -0.35 0.51 0.00 0.00 175.35 176.87 1wx5 n PRO 253 N -1.40 2.00 -0.04 -1.68 -0.04 -1.26 -4.85 135.00 127.72 1wx5 n PRO 253 Ca 0.05 -1.55 -0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1wx5 n PRO 253 Cb 0.54 -1.35 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1wx5 n PRO 253 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1wx5 h TRP 254 N 2.57 0.00 0.00 0.54 6.55 -1.84 -3.48 115.95 120.30 1wx5 h TRP 254 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wx5 h TRP 254 Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1wx5 h TRP 254 CO 0.27 0.00 0.00 0.09 -1.05 0.00 0.00 178.44 177.75 1wx5 n ASN 255 N -4.19 -3.00 0.00 -3.49 3.02 0.17 -4.84 115.26 102.93 1wx5 n ASN 255 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1wx5 n ASN 255 Cb 0.01 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 1wx5 n ASN 255 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wx5 n THR 256 N -3.00 0.00 -5.19 3.41 -2.24 -1.26 -4.85 114.28 101.15 1wx5 n THR 256 Ca 0.00 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1wx5 n THR 256 Cb 0.00 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 68.92 1wx5 n THR 256 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wx5 s VAL 257 N -0.99 1.90 0.22 2.28 0.11 -1.26 -5.01 120.40 117.63 1wx5 s VAL 257 Ca 0.00 -1.01 0.10 0.00 -2.93 0.00 0.00 61.98 58.14 1wx5 s VAL 257 Cb 0.00 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 33.22 1wx5 s VAL 257 CO 0.00 0.53 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.97 1wx5 s ARG 258 N -0.43 1.49 0.49 1.54 0.52 -1.26 -0.56 118.95 120.73 1wx5 s ARG 258 Ca 0.05 -1.58 0.32 0.00 -0.52 0.00 0.00 55.73 54.00 1wx5 s ARG 258 Cb -0.10 -1.61 1.42 0.00 0.52 0.00 0.00 34.95 35.18 1wx5 s ARG 258 CO 0.00 0.32 1.75 -1.35 0.02 0.00 0.00 175.30 176.04 1wx5 h PRO 259 N 2.83 0.12 -0.07 3.54 0.11 -1.69 0.42 132.00 137.27 1wx5 h PRO 259 Ca -0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1wx5 h PRO 259 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1wx5 h PRO 259 CO 0.54 0.08 -0.10 0.00 -0.21 0.00 0.00 178.00 178.31 1wx5 h ALA 260 N 1.46 1.70 0.00 -0.75 0.00 -1.63 -2.19 119.26 117.85 1wx5 h ALA 260 Ca 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1wx5 h ALA 260 Cb 2.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1wx5 h ALA 260 CO -0.15 0.23 -0.01 -0.44 0.00 0.00 0.00 179.25 178.88 1wx5 h ASP 261 N 0.11 0.00 -0.34 0.00 3.32 -0.45 -3.32 116.42 115.74 1wx5 h ASP 261 Ca 0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1wx5 h ASP 261 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1wx5 h ASP 261 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 1wx5 n LEU 262 N -2.34 2.97 -0.13 1.55 4.77 -0.83 -4.61 117.00 118.38 1wx5 n LEU 262 Ca 0.05 -2.06 -0.12 0.00 -0.03 0.00 0.00 56.01 53.86 1wx5 n LEU 262 Cb 0.44 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1wx5 n LEU 262 CO 0.31 0.73 0.68 -0.07 -1.33 0.00 0.00 177.39 177.70 1wx5 h LEU 263 N 1.99 0.82 -8.57 2.23 3.38 -1.63 -3.39 115.31 110.13 1wx5 h LEU 263 Ca 0.00 -0.39 -0.70 0.00 0.09 0.00 0.00 57.88 56.88 1wx5 h LEU 263 Cb 0.77 -0.22 -0.20 0.00 0.09 0.00 0.00 40.66 41.10 1wx5 h LEU 263 CO 0.01 1.02 -0.40 -0.62 0.09 0.00 0.00 178.44 178.54 1wx5 s ASP 264 N -6.48 6.11 0.35 -0.43 -1.08 -1.26 -4.93 116.67 108.96 1wx5 s ASP 264 Ca -0.12 -0.71 0.23 0.00 -0.52 0.00 0.00 52.55 51.43 1wx5 s ASP 264 Cb 0.10 -2.17 0.23 0.00 -1.46 0.00 0.00 42.92 39.63 1wx5 s ASP 264 CO 0.83 -0.41 1.41 1.12 0.52 0.00 0.00 175.17 178.65 1wx5 h HIS 265 N 8.60 0.00 0.00 -5.34 2.07 -1.87 -3.29 115.15 115.31 1wx5 h HIS 265 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 1wx5 h HIS 265 Cb 1.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.11 1wx5 h HIS 265 CO 0.60 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.71 1wx5 n THR 266 N -2.92 0.52 0.51 6.12 -2.24 -1.15 0.32 114.28 115.44 1wx5 n THR 266 Ca 0.03 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1wx5 n THR 266 Cb 0.53 -1.08 0.15 0.00 -2.10 0.00 0.00 70.33 67.83 1wx5 n THR 266 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wx5 h ALA 267 N 2.16 0.57 0.00 6.98 0.00 -1.99 -3.38 119.26 123.61 1wx5 h ALA 267 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wx5 h ALA 267 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wx5 h ALA 267 CO 0.00 0.00 -1.03 0.66 0.00 0.00 0.00 179.25 178.88 1wx5 n TYR 268 N -2.20 0.00 -3.66 0.00 4.02 0.15 -5.12 117.16 110.35 1wx5 n TYR 268 Ca 0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.87 1wx5 n TYR 268 Cb 0.45 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.77 1wx5 n TYR 268 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1wx5 n TYR 269 N -2.34 -1.74 -4.02 -0.72 0.18 0.86 -4.91 117.16 104.47 1wx5 n TYR 269 Ca -0.01 -1.25 -0.10 0.00 1.88 0.00 0.00 57.90 58.42 1wx5 n TYR 269 Cb 0.51 0.62 -0.07 0.00 -0.38 0.00 0.00 39.34 40.02 1wx5 n TYR 269 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1wx5 s THR 270 N -2.28 0.06 0.17 -3.48 -4.23 -1.11 -2.96 115.64 101.82 1wx5 s THR 270 Ca 0.14 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1wx5 s THR 270 Cb -0.03 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 1wx5 s THR 270 CO 0.07 -0.25 0.10 -0.36 -0.54 0.00 0.00 174.62 173.64 1wx5 s PHE 271 N -4.00 3.05 0.21 3.99 0.40 -1.26 0.20 117.98 120.57 1wx5 s PHE 271 Ca 0.21 -0.06 -0.09 0.00 -0.60 0.00 0.00 56.93 56.39 1wx5 s PHE 271 Cb 0.04 -1.46 0.26 0.00 0.51 0.00 0.00 43.02 42.37 1wx5 s PHE 271 CO 0.03 0.52 1.81 0.38 0.70 0.00 0.00 175.22 178.66 1wx5 h ASP 272 N 2.42 0.57 -5.02 1.36 -0.00 -1.79 -3.45 116.42 110.53 1wx5 h ASP 272 Ca -0.47 0.03 -0.07 0.00 -0.00 0.00 0.00 57.03 56.52 1wx5 h ASP 272 Cb 1.20 -0.08 -0.17 0.00 -0.00 0.00 0.00 39.33 40.29 1wx5 h ASP 272 CO 0.62 0.37 0.02 0.00 -0.00 0.00 0.00 179.24 180.24 1wx5 s ALA 273 N -6.09 -1.30 -0.46 4.15 0.00 -1.26 -5.14 121.76 111.67 1wx5 s ALA 273 Ca -0.13 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1wx5 s ALA 273 Cb 0.17 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1wx5 s ALA 273 CO 0.76 -0.47 0.62 1.28 0.00 0.00 0.00 175.76 177.95