#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 4.80 -0.26 1.08 1.01 -1.26 -2.15 120.40 123.62 1wx5 s VAL 3 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1wx5 s VAL 3 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1wx5 s VAL 3 CO 0.00 0.52 0.42 -0.13 0.00 0.00 0.00 175.10 175.91 1wx5 s ARG 4 N -0.15 4.04 0.24 2.72 0.52 0.25 -4.81 118.95 121.76 1wx5 s ARG 4 Ca 0.07 0.14 0.05 0.00 -0.52 0.00 0.00 55.73 55.48 1wx5 s ARG 4 Cb -0.12 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1wx5 s ARG 4 CO 0.01 -0.29 0.35 0.15 0.02 0.00 0.00 175.30 175.54 1wx5 s LYS 5 N 2.11 3.40 0.17 3.54 1.02 -1.26 -2.01 119.74 126.70 1wx5 s LYS 5 Ca 0.17 -0.79 -0.31 0.00 0.02 0.00 0.00 55.97 55.07 1wx5 s LYS 5 Cb -0.16 -2.87 -0.09 0.00 -0.52 0.00 0.00 37.83 34.20 1wx5 s LYS 5 CO 0.10 0.42 1.42 1.21 -0.92 0.00 0.00 175.35 177.57 1wx5 s ASN 6 N -3.98 6.76 0.60 2.83 3.84 -1.26 -2.17 114.94 121.56 1wx5 s ASN 6 Ca 0.34 2.46 0.31 0.00 0.21 0.00 0.00 52.86 56.19 1wx5 s ASN 6 Cb -0.09 -2.60 1.71 0.00 -0.55 0.00 0.00 41.25 39.72 1wx5 s ASN 6 CO 0.29 -0.67 1.95 0.06 -2.79 0.00 0.00 177.10 175.94 1wx5 h GLN 7 N 6.18 0.00 0.00 0.43 -0.00 -1.34 0.16 115.11 120.54 1wx5 h GLN 7 Ca -0.43 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.12 1wx5 h GLN 7 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.68 1wx5 h GLN 7 CO 0.84 0.00 -0.46 0.00 -0.00 0.00 0.00 178.83 179.21 1wx5 h ALA 8 N 1.54 0.79 -0.00 0.06 0.00 -1.89 -3.25 119.26 116.50 1wx5 h ALA 8 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wx5 h ALA 8 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wx5 h ALA 8 CO 0.00 0.57 -0.44 0.25 0.00 0.00 0.00 179.25 179.63 1wx5 n THR 9 N -3.34 0.00 -1.71 0.00 -2.24 0.56 -4.96 114.28 102.60 1wx5 n THR 9 Ca 0.01 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 1wx5 n THR 9 Cb 0.65 0.26 0.02 0.00 -2.10 0.00 0.00 70.33 69.17 1wx5 n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wx5 n LEU 10 N -1.33 4.47 -4.98 3.22 4.77 -1.21 -5.02 117.00 116.93 1wx5 n LEU 10 Ca 0.07 1.04 -0.21 0.00 -0.03 0.00 0.00 56.01 56.88 1wx5 n LEU 10 Cb 0.34 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1wx5 n LEU 10 CO 0.33 -0.72 0.33 0.42 -1.33 0.00 0.00 177.39 176.42 1wx5 s THR 11 N -1.25 2.86 0.30 -5.08 -4.23 -1.26 -4.92 115.64 102.07 1wx5 s THR 11 Ca 0.65 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1wx5 s THR 11 Cb -0.47 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.52 1wx5 s THR 11 CO 0.55 -0.04 1.91 0.00 -0.54 0.00 0.00 174.62 176.50 1wx5 h ALA 12 N 0.18 1.35 0.81 3.99 0.00 -1.99 -1.20 119.26 122.40 1wx5 h ALA 12 Ca -0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1wx5 h ALA 12 Cb 1.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wx5 h ALA 12 CO 0.52 0.51 -0.42 0.22 0.00 0.00 0.00 179.25 180.08 1wx5 h ASP 13 N 0.89 -1.02 -0.98 0.00 3.58 -1.99 -1.20 116.42 115.69 1wx5 h ASP 13 Ca 0.22 0.04 0.18 0.00 0.42 0.00 0.00 57.03 57.89 1wx5 h ASP 13 Cb 0.09 0.28 -0.09 0.00 1.72 0.00 0.00 39.33 41.33 1wx5 h ASP 13 CO -0.03 -0.69 0.61 -0.33 -2.88 0.00 0.00 179.24 175.92 1wx5 h GLU 14 N -1.13 0.71 -0.07 0.28 5.08 -1.87 0.45 114.58 118.03 1wx5 h GLU 14 Ca -0.11 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 1wx5 h GLU 14 Cb 0.88 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1wx5 h GLU 14 CO 0.16 0.47 -0.60 0.87 -1.00 0.00 0.00 179.01 178.91 1wx5 h LYS 15 N 0.73 0.24 -0.68 2.33 1.57 -1.02 -1.23 116.57 118.52 1wx5 h LYS 15 Ca 0.53 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1wx5 h LYS 15 Cb 0.87 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 1wx5 h LYS 15 CO -0.30 0.76 0.12 -0.09 -0.57 0.00 0.00 179.45 179.37 1wx5 h ARG 16 N 0.18 1.11 0.00 3.15 2.43 0.32 -0.61 114.38 120.95 1wx5 h ARG 16 Ca -0.01 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 58.75 1wx5 h ARG 16 Cb 1.10 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.50 1wx5 h ARG 16 CO 0.09 1.01 -0.58 0.00 -1.51 0.00 0.00 179.97 178.99 1wx5 h ARG 17 N 1.04 0.00 0.11 0.20 3.08 -1.18 -2.41 114.38 115.21 1wx5 h ARG 17 Ca 0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1wx5 h ARG 17 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1wx5 h ARG 17 CO 0.01 0.58 -0.05 0.35 -1.07 0.00 0.00 179.97 179.78 1wx5 h PHE 18 N 0.00 -0.13 -0.74 3.04 3.57 -1.00 -2.02 116.94 119.66 1wx5 h PHE 18 Ca -0.01 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1wx5 h PHE 18 Cb 1.33 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 1wx5 h PHE 18 CO 0.00 0.37 0.45 0.28 -2.23 0.00 0.00 178.31 177.17 1wx5 h VAL 19 N -0.87 1.04 -0.57 1.41 2.07 -1.19 -1.72 116.25 116.42 1wx5 h VAL 19 Ca -0.01 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1wx5 h VAL 19 Cb 0.56 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1wx5 h VAL 19 CO 0.02 0.15 0.07 0.00 0.02 0.00 0.00 177.57 177.84 1wx5 h ALA 20 N 1.35 1.06 -0.58 1.67 0.00 -1.52 -1.56 119.26 119.67 1wx5 h ALA 20 Ca 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1wx5 h ALA 20 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1wx5 h ALA 20 CO -0.15 0.60 0.23 0.00 0.00 0.00 0.00 179.25 179.94 1wx5 h ALA 21 N 1.21 0.76 -0.31 0.00 0.00 -0.57 -2.48 119.26 117.86 1wx5 h ALA 21 Ca 0.18 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1wx5 h ALA 21 Cb 0.41 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wx5 h ALA 21 CO 0.01 0.37 -0.35 0.28 0.00 0.00 0.00 179.25 179.56 1wx5 h VAL 22 N 0.81 1.28 -0.00 0.00 2.07 -1.11 -2.57 116.25 116.73 1wx5 h VAL 22 Ca 0.19 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1wx5 h VAL 22 Cb 0.20 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1wx5 h VAL 22 CO -0.02 0.49 -0.44 -0.07 0.02 0.00 0.00 177.57 177.55 1wx5 h LEU 23 N 0.59 0.01 -0.17 2.57 3.38 -1.17 -1.52 115.31 118.99 1wx5 h LEU 23 Ca 0.06 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1wx5 h LEU 23 Cb 0.87 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1wx5 h LEU 23 CO 0.08 0.45 -0.12 -0.08 0.09 0.00 0.00 178.44 178.85 1wx5 h GLU 24 N 0.01 0.39 -0.92 1.13 4.57 -1.30 0.12 114.58 118.57 1wx5 h GLU 24 Ca -0.00 -0.19 0.10 0.00 -1.18 0.00 0.00 59.36 58.09 1wx5 h GLU 24 Cb 0.78 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.30 1wx5 h GLU 24 CO 0.06 0.73 0.59 -0.07 -1.18 0.00 0.00 179.01 179.13 1wx5 h LEU 25 N 0.05 0.84 -0.18 1.64 3.38 -1.16 0.37 115.31 120.25 1wx5 h LEU 25 Ca 0.03 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1wx5 h LEU 25 Cb 0.63 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1wx5 h LEU 25 CO 0.03 0.49 -0.16 0.50 0.09 0.00 0.00 178.44 179.39 1wx5 h LYS 26 N 0.93 0.43 -0.86 1.13 1.63 -1.01 -0.17 116.57 118.65 1wx5 h LYS 26 Ca 0.42 -0.22 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1wx5 h LYS 26 Cb 0.39 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 1wx5 h LYS 26 CO -0.19 0.78 0.47 -0.09 -3.45 0.00 0.00 179.45 176.97 1wx5 h ARG 27 N 0.09 1.20 0.00 1.90 2.43 0.44 -2.85 114.38 117.59 1wx5 h ARG 27 Ca 0.03 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1wx5 h ARG 27 Cb 0.70 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1wx5 h ARG 27 CO 0.04 0.89 -0.26 0.66 -1.51 0.00 0.00 179.97 179.79 1wx5 h SER 28 N 1.20 0.00 0.00 -3.80 4.64 -0.32 -3.47 113.55 111.80 1wx5 h SER 28 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1wx5 h SER 28 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1wx5 h SER 28 CO -0.05 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 1wx5 n GLY 29 N 0.58 0.45 0.20 -0.77 0.00 -1.02 -4.96 105.19 99.67 1wx5 n GLY 29 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 3.68 0.31 -0.51 1.61 3.08 -1.62 -3.22 114.38 117.71 1wx5 h ARG 30 Ca 0.00 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 1wx5 h ARG 30 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1wx5 h ARG 30 CO 0.00 0.68 0.18 -0.92 -1.07 0.00 0.00 179.97 178.84 1wx5 h TYR 31 N 0.25 0.81 0.00 3.04 5.03 -1.34 -2.84 116.97 121.92 1wx5 h TYR 31 Ca 0.02 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.22 1wx5 h TYR 31 Cb 0.86 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 1wx5 h TYR 31 CO 0.02 0.69 -0.19 -0.44 -1.32 0.00 0.00 178.16 176.91 1wx5 h ASP 32 N 0.70 0.00 -0.80 -2.11 3.45 -1.82 -2.13 116.42 113.70 1wx5 h ASP 32 Ca 0.17 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.68 1wx5 h ASP 32 Cb 0.24 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.96 1wx5 h ASP 32 CO -0.01 0.19 0.49 -0.33 -1.57 0.00 0.00 179.24 178.02 1wx5 h GLU 33 N 0.00 0.89 -0.40 3.56 4.39 -1.54 -1.20 114.58 120.29 1wx5 h GLU 33 Ca -0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1wx5 h GLU 33 Cb 0.37 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1wx5 h GLU 33 CO 0.03 0.59 0.17 0.74 -1.16 0.00 0.00 179.01 179.37 1wx5 h PHE 34 N 0.92 0.59 -0.82 4.33 -1.00 -1.44 -1.41 116.94 118.12 1wx5 h PHE 34 Ca 0.34 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.08 1wx5 h PHE 34 Cb 0.13 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.47 1wx5 h PHE 34 CO -0.04 0.52 0.48 0.28 -1.61 0.00 0.00 178.31 177.94 1wx5 h VAL 35 N 0.49 1.23 -0.17 -0.55 2.07 -1.37 -1.68 116.25 116.28 1wx5 h VAL 35 Ca 0.13 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 1wx5 h VAL 35 Cb 0.17 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1wx5 h VAL 35 CO -0.01 0.25 -0.36 -0.09 0.02 0.00 0.00 177.57 177.38 1wx5 h ARG 36 N 1.13 0.37 -0.07 1.57 9.65 -0.89 -2.13 114.38 124.01 1wx5 h ARG 36 Ca 0.29 -0.16 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 1wx5 h ARG 36 Cb -0.03 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1wx5 h ARG 36 CO -0.05 0.68 -0.22 1.15 2.80 0.00 0.00 179.97 184.33 1wx5 h THR 37 N 0.31 1.43 -0.39 0.20 2.02 -0.78 -2.70 112.91 113.00 1wx5 h THR 37 Ca 0.04 -1.61 -0.01 0.00 0.77 0.00 0.00 66.41 65.60 1wx5 h THR 37 Cb 0.78 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1wx5 h THR 37 CO 0.06 0.45 0.21 -0.74 0.37 0.00 0.00 175.52 175.87 1wx5 h HIS 38 N -0.24 0.54 -0.91 3.16 -0.00 -1.34 -2.22 115.15 114.14 1wx5 h HIS 38 Ca -0.01 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1wx5 h HIS 38 Cb 0.85 -0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 28.03 1wx5 h HIS 38 CO 0.13 0.42 0.59 -0.97 -0.00 0.00 0.00 177.93 178.10 1wx5 h ASN 39 N 0.50 0.95 -0.15 3.26 -0.73 -1.45 -1.06 115.58 116.90 1wx5 h ASN 39 Ca 0.14 -0.00 0.05 0.00 1.87 0.00 0.00 56.30 58.35 1wx5 h ASN 39 Cb 0.07 -0.21 -0.06 0.00 0.27 0.00 0.00 38.32 38.39 1wx5 h ASN 39 CO -0.02 0.63 -0.21 -0.08 -0.37 0.00 0.00 177.43 177.38 1wx5 h GLU 40 N 1.09 -0.24 -0.08 6.67 4.81 -1.06 -1.44 114.58 124.33 1wx5 h GLU 40 Ca 0.38 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.44 1wx5 h GLU 40 Cb 0.10 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1wx5 h GLU 40 CO -0.13 -0.16 -0.67 0.74 -0.73 0.00 0.00 179.01 178.06 1wx5 h PHE 41 N -0.25 0.82 -0.23 0.92 0.04 -1.26 -2.47 116.94 114.51 1wx5 h PHE 41 Ca 0.11 -0.39 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 1wx5 h PHE 41 Cb 0.41 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1wx5 h PHE 41 CO -0.32 1.20 0.12 0.97 -0.60 0.00 0.00 178.31 179.67 1wx5 h ILE 42 N 0.20 1.08 0.00 -0.55 2.10 -1.14 0.64 117.51 119.84 1wx5 h ILE 42 Ca -0.06 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1wx5 h ILE 42 Cb 1.33 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1wx5 h ILE 42 CO 0.14 0.08 -0.60 0.24 -1.08 0.00 0.00 178.15 176.93 1wx5 h MET 43 N 0.31 0.00 0.00 2.19 2.86 -1.29 -3.36 114.93 115.64 1wx5 h MET 43 Ca 0.08 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.35 1wx5 h MET 43 Cb 0.02 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.61 1wx5 h MET 43 CO -0.01 0.00 -2.40 -1.13 1.06 0.00 0.00 176.91 174.43 1wx5 n SER 44 N -2.21 0.87 -4.68 1.22 3.41 -0.57 -4.94 113.62 106.73 1wx5 n SER 44 Ca 0.03 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1wx5 n SER 44 Cb 0.45 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 -5.85 6.47 0.14 4.04 -0.00 0.21 -4.87 116.67 116.82 1wx5 s ASP 45 Ca -0.20 2.65 0.06 0.00 -0.00 0.00 0.00 52.55 55.07 1wx5 s ASP 45 Cb 0.07 -2.55 -0.04 0.00 -0.00 0.00 0.00 42.92 40.40 1wx5 s ASP 45 CO 0.72 -1.00 -0.14 0.42 -0.00 0.00 0.00 175.17 175.17 1wx5 s THR 46 N 3.51 1.42 0.15 -1.27 -4.23 -1.20 -4.95 115.64 109.06 1wx5 s THR 46 Ca 0.82 -1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1wx5 s THR 46 Cb -0.43 -1.69 -0.11 0.00 1.34 0.00 0.00 72.50 71.61 1wx5 s THR 46 CO 0.37 -0.48 1.40 0.44 -0.54 0.00 0.00 174.62 175.81 1wx5 h ASP 47 N 3.24 0.75 1.46 3.99 3.32 -1.91 -3.14 116.42 124.12 1wx5 h ASP 47 Ca -0.39 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.20 1wx5 h ASP 47 Cb 1.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1wx5 h ASP 47 CO 0.54 1.23 0.00 0.77 -1.72 0.00 0.00 179.24 180.06 1wx5 h SER 48 N 0.46 0.00 -0.15 6.45 4.64 -1.98 -3.48 113.55 119.49 1wx5 h SER 48 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1wx5 h SER 48 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1wx5 h SER 48 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1wx5 n GLY 49 N 0.98 5.62 3.68 -0.77 0.00 -1.19 -5.10 105.19 108.41 1wx5 n GLY 49 Ca 0.04 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 1wx5 n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1wx5 n GLU 50 N 0.00 2.31 -3.95 1.61 2.13 -1.26 -4.49 120.64 116.99 1wx5 n GLU 50 Ca 0.00 0.84 -0.20 0.00 0.66 0.00 0.00 57.16 58.46 1wx5 n GLU 50 Cb 0.00 -2.68 -0.17 0.00 0.27 0.00 0.00 31.44 28.86 1wx5 n GLU 50 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1wx5 s ARG 51 N 3.09 0.60 0.00 5.31 1.70 -0.96 -3.24 118.95 125.45 1wx5 s ARG 51 Ca 0.87 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 56.16 1wx5 s ARG 51 Cb -0.64 -0.80 0.00 0.00 -0.57 0.00 0.00 34.95 32.94 1wx5 s ARG 51 CO 0.45 -0.18 0.00 2.41 -1.08 0.00 0.00 175.30 176.90 1wx5 n THR 52 N 4.52 0.04 0.09 4.99 -1.04 -1.26 -4.42 114.28 117.19 1wx5 n THR 52 Ca -0.18 0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.69 1wx5 n THR 52 Cb 0.50 -1.35 -0.14 0.00 -1.82 0.00 0.00 70.33 67.52 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 0.26 -1.11 3.41 0.00 -1.87 -3.32 103.07 100.44 1wx5 h GLY 53 Ca 0.00 -0.66 -0.50 0.00 0.00 0.00 0.00 47.33 46.16 1wx5 h GLY 53 CO 0.00 0.58 -0.43 1.42 0.00 0.00 0.00 176.54 178.11 1wx5 n HIS 54 N -3.48 -0.04 -3.31 5.60 8.25 -1.26 -4.12 115.22 116.86 1wx5 n HIS 54 Ca -0.10 -2.47 -0.18 0.00 -0.26 0.00 0.00 57.72 54.72 1wx5 n HIS 54 Cb 1.02 0.05 -0.05 0.00 1.12 0.00 0.00 29.99 32.13 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 -0.80 -0.93 -3.51 -0.41 1.85 -1.26 -4.80 116.66 106.80 1wx5 n ARG 55 Ca -0.03 0.05 -0.12 0.00 -1.00 0.00 0.00 57.85 56.76 1wx5 n ARG 55 Cb 0.57 -2.03 -0.04 0.00 -1.05 0.00 0.00 32.46 29.91 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 -3.20 -0.47 0.53 2.89 1.04 -1.26 -4.01 113.70 109.23 1wx5 s SER 56 Ca 0.14 0.29 0.31 0.00 0.48 0.00 0.00 55.95 57.18 1wx5 s SER 56 Cb -0.08 0.43 1.47 0.00 0.10 0.00 0.00 66.02 67.94 1wx5 s SER 56 CO 0.52 -0.60 1.89 1.55 0.98 0.00 0.00 173.24 177.58 1wx5 h PRO 57 N 2.41 0.02 -0.10 4.02 0.13 -1.87 0.18 132.00 136.78 1wx5 h PRO 57 Ca -0.24 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1wx5 h PRO 57 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wx5 h PRO 57 CO 0.34 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 176.99 1wx5 n SER 58 N -4.28 0.48 -0.05 1.44 3.41 -1.26 -3.74 113.62 109.62 1wx5 n SER 58 Ca 0.19 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1wx5 n SER 58 Cb 0.95 -0.06 0.30 0.00 -0.26 0.00 0.00 64.21 65.14 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 0.51 0.65 0.02 7.33 3.57 -1.05 -0.25 116.94 127.72 1wx5 h PHE 59 Ca 0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1wx5 h PHE 59 Cb 0.12 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1wx5 h PHE 59 CO 0.06 0.53 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.59 1wx5 h LEU 60 N 0.63 -0.03 -1.10 0.59 3.38 -1.81 -2.93 115.31 114.05 1wx5 h LEU 60 Ca 0.15 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1wx5 h LEU 60 Cb 0.18 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1wx5 h LEU 60 CO -0.01 0.71 0.30 1.55 0.09 0.00 0.00 178.44 181.08 1wx5 h PRO 61 N -0.98 0.93 -0.41 1.13 0.13 -1.79 -1.72 132.00 129.30 1wx5 h PRO 61 Ca -0.00 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1wx5 h PRO 61 Cb 0.55 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1wx5 h PRO 61 CO 0.01 0.73 0.24 2.35 -0.23 0.00 0.00 178.00 181.10 1wx5 h TRP 62 N 0.93 0.54 0.00 1.56 7.01 -1.17 -1.66 115.95 123.16 1wx5 h TRP 62 Ca 0.23 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1wx5 h TRP 62 Cb 0.12 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 1wx5 h TRP 62 CO 0.01 0.39 -0.04 0.45 -2.79 0.00 0.00 178.44 176.46 1wx5 h HIS 63 N 0.54 0.00 -0.24 2.65 3.86 -1.32 -1.09 115.15 119.54 1wx5 h HIS 63 Ca 0.15 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.24 1wx5 h HIS 63 Cb 0.01 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1wx5 h HIS 63 CO -0.03 0.04 -0.30 -0.09 0.86 0.00 0.00 177.93 178.41 1wx5 h ARG 64 N 0.00 0.63 -0.17 2.45 2.43 -0.55 -1.53 114.38 117.64 1wx5 h ARG 64 Ca -0.00 -0.35 -0.19 0.00 -0.81 0.00 0.00 59.98 58.62 1wx5 h ARG 64 Cb 0.72 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1wx5 h ARG 64 CO 0.01 0.96 -0.65 -0.09 -1.51 0.00 0.00 179.97 178.69 1wx5 h ARG 65 N 0.34 0.74 -0.95 0.20 9.65 -1.19 -2.17 114.38 120.99 1wx5 h ARG 65 Ca 0.03 -0.57 0.02 0.00 -1.10 0.00 0.00 59.98 58.37 1wx5 h ARG 65 Cb 0.87 0.11 -0.05 0.00 -1.39 0.00 0.00 29.97 29.51 1wx5 h ARG 65 CO 0.07 1.19 0.62 0.35 2.80 0.00 0.00 179.97 185.00 1wx5 h PHE 66 N 0.46 1.17 -0.01 2.20 3.57 -1.21 -0.73 116.94 122.39 1wx5 h PHE 66 Ca -0.03 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1wx5 h PHE 66 Cb 1.28 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1wx5 h PHE 66 CO 0.09 0.70 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.17 1wx5 h LEU 67 N 1.24 0.06 -0.76 0.59 4.07 -1.26 -2.57 115.31 116.68 1wx5 h LEU 67 Ca 0.36 -0.04 -0.07 0.00 0.08 0.00 0.00 57.88 58.22 1wx5 h LEU 67 Cb -0.06 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 1wx5 h LEU 67 CO -0.10 0.67 0.14 -0.07 -1.08 0.00 0.00 178.44 178.01 1wx5 h LEU 68 N 0.04 1.03 0.26 1.67 3.38 -0.63 -0.21 115.31 120.85 1wx5 h LEU 68 Ca -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1wx5 h LEU 68 Cb 1.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wx5 h LEU 68 CO 0.09 1.00 -0.13 0.44 0.09 0.00 0.00 178.44 179.93 1wx5 h ASP 69 N 1.03 -0.30 -0.33 -0.43 5.19 -0.93 -1.96 116.42 118.69 1wx5 h ASP 69 Ca 0.21 -0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.58 1wx5 h ASP 69 Cb 0.39 0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 1wx5 h ASP 69 CO 0.01 -0.11 0.11 0.15 -3.12 0.00 0.00 179.24 176.27 1wx5 h PHE 70 N -0.47 0.19 -0.85 4.55 3.57 -1.22 -0.69 116.94 122.01 1wx5 h PHE 70 Ca -0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1wx5 h PHE 70 Cb 0.35 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1wx5 h PHE 70 CO -0.03 0.08 0.49 1.49 -2.23 0.00 0.00 178.31 178.11 1wx5 h GLU 71 N 0.25 1.17 -0.21 1.11 4.81 -1.04 -0.86 114.58 119.81 1wx5 h GLU 71 Ca 0.15 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 1wx5 h GLU 71 Cb 0.13 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1wx5 h GLU 71 CO -0.16 0.83 -0.31 1.96 -0.73 0.00 0.00 179.01 180.60 1wx5 h GLN 72 N 1.18 0.43 -0.32 1.92 4.20 -0.77 0.90 115.11 122.64 1wx5 h GLN 72 Ca 0.30 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1wx5 h GLN 72 Cb -0.02 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1wx5 h GLN 72 CO -0.05 0.70 -0.23 0.00 -0.67 0.00 0.00 178.83 178.58 1wx5 h ALA 73 N 1.30 1.00 0.03 3.87 0.00 -0.41 -1.89 119.26 123.16 1wx5 h ALA 73 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1wx5 h ALA 73 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wx5 h ALA 73 CO 0.06 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.82 1wx5 h LEU 74 N 0.55 -0.03 -2.34 0.00 3.38 -0.50 -2.71 115.31 113.66 1wx5 h LEU 74 Ca 0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wx5 h LEU 74 Cb 0.69 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1wx5 h LEU 74 CO 0.05 0.32 0.13 1.56 0.09 0.00 0.00 178.44 180.59 1wx5 h GLN 75 N -0.38 0.00 -0.00 1.13 4.20 -0.68 0.43 115.11 119.80 1wx5 h GLN 75 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wx5 h GLN 75 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wx5 h GLN 75 CO 0.01 0.00 -0.08 -1.13 -0.67 0.00 0.00 178.83 176.95 1wx5 n SER 76 N -2.85 0.52 -0.05 1.46 3.41 -0.72 -2.15 113.62 113.22 1wx5 n SER 76 Ca -0.02 -0.71 -0.06 0.00 -0.26 0.00 0.00 58.87 57.81 1wx5 n SER 76 Cb 0.19 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.85 0.65 -3.20 -3.33 0.31 0.14 -4.94 118.33 107.10 1wx5 n VAL 77 Ca 0.16 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1wx5 n VAL 77 Cb 0.26 -0.83 -0.02 0.00 -0.91 0.00 0.00 33.84 32.34 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 -4.58 -0.98 0.00 4.52 -1.08 -0.41 -5.02 116.67 109.11 1wx5 s ASP 78 Ca -0.10 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 1wx5 s ASP 78 Cb 0.03 1.84 0.00 0.00 -1.46 0.00 0.00 42.92 43.33 1wx5 s ASP 78 CO 0.33 -0.29 0.40 -1.54 0.52 0.00 0.00 175.17 174.59 1wx5 n SER 79 N 5.41 0.58 -0.00 -0.34 3.41 -0.91 -2.20 113.62 119.56 1wx5 n SER 79 Ca 0.00 -1.38 0.02 0.00 -0.26 0.00 0.00 58.87 57.25 1wx5 n SER 79 Cb 0.51 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1wx5 n SER 79 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wx5 n SER 80 N 0.05 0.21 -4.73 4.04 3.41 -1.26 -4.98 113.62 110.36 1wx5 n SER 80 Ca 0.00 -0.61 -0.41 0.00 -0.26 0.00 0.00 58.87 57.60 1wx5 n SER 80 Cb 0.14 0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 65.03 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 -1.35 4.73 0.12 -3.33 1.01 -0.93 -5.05 120.40 115.60 1wx5 s VAL 81 Ca 0.02 1.88 0.06 0.00 0.00 0.00 0.00 61.98 63.93 1wx5 s VAL 81 Cb 0.03 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1wx5 s VAL 81 CO 0.16 0.28 -0.15 0.42 0.00 0.00 0.00 175.10 175.81 1wx5 s THR 82 N 0.37 1.36 -0.27 3.92 -4.23 -1.26 -4.49 115.64 111.04 1wx5 s THR 82 Ca 0.45 -1.69 -0.29 0.00 -1.18 0.00 0.00 61.69 58.98 1wx5 s THR 82 Cb -0.21 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.12 1wx5 s THR 82 CO 0.26 -0.38 1.13 -0.22 -0.54 0.00 0.00 174.62 174.87 1wx5 s LEU 83 N -2.38 4.00 0.21 4.79 0.20 -1.26 -4.93 118.68 119.31 1wx5 s LEU 83 Ca 0.08 1.25 -0.09 0.00 0.69 0.00 0.00 54.13 56.07 1wx5 s LEU 83 Cb -0.06 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 42.09 1wx5 s LEU 83 CO 0.03 -0.84 0.51 -2.16 -0.29 0.00 0.00 176.35 173.61 1wx5 s PRO 84 N 3.59 3.76 0.30 0.98 0.04 -1.26 -4.40 135.00 138.00 1wx5 s PRO 84 Ca 0.48 0.20 0.06 0.00 0.04 0.00 0.00 61.00 61.78 1wx5 s PRO 84 Cb -0.15 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 1wx5 s PRO 84 CO 0.14 0.35 0.43 1.52 0.04 0.00 0.00 177.00 179.48 1wx5 s TYR 85 N -1.77 3.25 -0.31 0.56 -0.85 -0.92 -4.10 117.35 113.21 1wx5 s TYR 85 Ca 0.46 -0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.91 1wx5 s TYR 85 Cb -0.11 -1.83 0.08 0.00 0.38 0.00 0.00 41.96 40.48 1wx5 s TYR 85 CO 0.22 0.17 -0.02 -0.46 -1.52 0.00 0.00 175.55 173.94 1wx5 s TRP 86 N -2.10 3.54 -1.15 -3.49 -0.00 -0.77 -0.92 118.94 114.05 1wx5 s TRP 86 Ca 0.41 -2.68 -0.21 0.00 -0.00 0.00 0.00 56.10 53.61 1wx5 s TRP 86 Cb -0.09 -2.49 0.04 0.00 -0.00 0.00 0.00 33.47 30.93 1wx5 s TRP 86 CO 0.30 -0.92 1.65 0.34 -0.00 0.00 0.00 176.95 178.33 1wx5 s ASP 87 N 1.01 6.44 0.00 5.86 -1.08 -1.26 -4.69 116.67 122.94 1wx5 s ASP 87 Ca 0.02 -1.85 0.09 0.00 -0.52 0.00 0.00 52.55 50.28 1wx5 s ASP 87 Cb -0.20 -2.58 0.42 0.00 -1.46 0.00 0.00 42.92 39.11 1wx5 s ASP 87 CO -0.07 -1.57 1.18 -2.67 0.52 0.00 0.00 175.17 172.56 1wx5 n TRP 88 N 9.48 0.00 0.01 -5.34 4.27 -1.26 -0.96 117.44 123.64 1wx5 n TRP 88 Ca 0.42 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.85 1wx5 n TRP 88 Cb 0.48 -0.34 -0.13 0.00 -1.36 0.00 0.00 31.31 29.96 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 0.41 0.29 -0.67 4.64 -1.86 -3.32 113.55 113.04 1wx5 h SER 89 Ca 0.00 -0.87 -0.34 0.00 -0.47 0.00 0.00 61.79 60.11 1wx5 h SER 89 Cb 0.10 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1wx5 h SER 89 CO 0.00 1.24 -1.65 0.00 -0.87 0.00 0.00 176.83 175.55 1wx5 h ALA 90 N 0.18 0.16 -2.01 5.18 0.00 -1.74 -3.40 119.26 117.62 1wx5 h ALA 90 Ca -0.09 -1.10 -0.78 0.00 0.00 0.00 0.00 54.91 52.93 1wx5 h ALA 90 Cb 1.39 0.37 -0.30 0.00 0.00 0.00 0.00 17.79 19.25 1wx5 h ALA 90 CO 0.11 1.03 0.59 -0.25 0.00 0.00 0.00 179.25 180.73 1wx5 n ASP 91 N -3.56 6.03 0.16 0.00 10.43 -0.13 -4.86 116.55 124.61 1wx5 n ASP 91 Ca -0.21 -3.39 0.08 0.00 2.57 0.00 0.00 54.79 53.84 1wx5 n ASP 91 Cb 1.07 -1.21 0.07 0.00 1.84 0.00 0.00 41.12 42.89 1wx5 n ASP 91 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1wx5 h ARG 92 N 5.39 0.00 -7.00 -1.24 0.11 -1.77 -3.42 114.38 106.45 1wx5 h ARG 92 Ca 0.20 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.81 1wx5 h ARG 92 Cb 0.64 0.00 0.07 0.00 1.11 0.00 0.00 29.97 31.79 1wx5 h ARG 92 CO 1.25 0.17 0.05 0.95 0.10 0.00 0.00 179.97 182.49 1wx5 s THR 93 N -3.14 2.17 -1.90 0.08 -4.23 -1.26 -4.83 115.64 102.54 1wx5 s THR 93 Ca 0.04 -0.68 0.29 0.00 -1.18 0.00 0.00 61.69 60.16 1wx5 s THR 93 Cb 0.07 -2.49 0.57 0.00 1.34 0.00 0.00 72.50 71.99 1wx5 s THR 93 CO 0.73 0.00 1.91 0.52 -0.54 0.00 0.00 174.62 177.24 1wx5 n VAL 94 N -2.68 0.00 -0.80 2.29 0.31 -1.26 -3.50 118.33 112.69 1wx5 n VAL 94 Ca 0.15 -0.09 -0.15 0.00 -0.01 0.00 0.00 64.34 64.24 1wx5 n VAL 94 Cb 0.61 -0.06 0.18 0.00 -0.91 0.00 0.00 33.84 33.66 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 -0.73 2.42 -3.35 5.55 1.74 -1.26 -4.78 116.66 116.24 1wx5 n ARG 95 Ca 0.17 -2.51 -0.36 0.00 -0.77 0.00 0.00 57.85 54.38 1wx5 n ARG 95 Cb 0.26 -2.01 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 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 -2.69 3.58 0.24 7.54 0.00 -1.23 -4.98 121.76 124.23 1wx5 s ALA 96 Ca 0.47 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.19 1wx5 s ALA 96 Cb 0.39 -2.53 0.32 0.00 0.00 0.00 0.00 23.12 21.30 1wx5 s ALA 96 CO 0.10 0.45 1.59 0.77 0.00 0.00 0.00 175.76 178.67 1wx5 h SER 97 N 3.70 -0.83 -0.99 0.00 0.02 -1.93 -0.39 113.55 113.13 1wx5 h SER 97 Ca -0.49 0.25 0.34 0.00 -0.84 0.00 0.00 61.79 61.05 1wx5 h SER 97 Cb 1.20 0.53 -0.16 0.00 0.14 0.00 0.00 62.40 64.10 1wx5 h SER 97 CO 0.65 -0.27 0.47 0.25 -1.14 0.00 0.00 176.83 176.79 1wx5 h LEU 98 N -0.02 0.30 -2.20 5.07 5.85 -1.94 0.35 115.31 122.73 1wx5 h LEU 98 Ca 0.37 0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.31 1wx5 h LEU 98 Cb 0.59 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1wx5 h LEU 98 CO -0.83 -0.26 0.00 0.79 -0.34 0.00 0.00 178.44 177.80 1wx5 n TRP 99 N -5.18 1.01 -2.51 1.25 7.02 -0.16 -1.32 117.44 117.56 1wx5 n TRP 99 Ca 0.32 -0.36 -0.32 0.00 -1.02 0.00 0.00 57.50 56.12 1wx5 n TRP 99 Cb 1.03 -0.27 -0.04 0.00 -2.42 0.00 0.00 31.31 29.60 1wx5 n TRP 99 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wx5 s ALA 100 N -1.86 3.08 0.57 6.99 0.00 0.12 -2.85 121.76 127.82 1wx5 s ALA 100 Ca 0.28 0.20 0.40 0.00 0.00 0.00 0.00 51.96 52.84 1wx5 s ALA 100 Cb 0.20 -3.10 2.18 0.00 0.00 0.00 0.00 23.12 22.40 1wx5 s ALA 100 CO 0.09 -0.15 2.22 -1.35 0.00 0.00 0.00 175.76 176.58 1wx5 h PRO 101 N 1.13 0.00 -0.56 0.00 0.11 -1.88 -0.84 132.00 129.95 1wx5 h PRO 101 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wx5 h PRO 101 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1wx5 h PRO 101 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 1wx5 n ASP 102 N -2.95 3.02 0.00 -2.05 5.75 -1.26 -3.62 116.55 115.43 1wx5 n ASP 102 Ca -0.03 -2.21 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1wx5 n ASP 102 Cb 0.12 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.70 0.00 -0.01 2.11 -0.00 -0.41 -4.79 117.46 115.06 1wx5 n PHE 103 Ca 0.16 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.69 1wx5 n PHE 103 Cb 0.55 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.89 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 0.00 0.00 -2.13 4.77 -0.43 -4.43 117.00 114.78 1wx5 n LEU 104 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wx5 n LEU 104 Cb 0.00 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1wx5 n LEU 104 CO 0.00 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1wx5 n GLY 105 N 1.52 0.63 0.00 -0.72 0.00 -0.68 -4.54 105.19 101.41 1wx5 n GLY 105 Ca -0.05 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 0.91 1.74 3.54 -0.02 0.00 -1.13 -4.28 105.19 105.94 1wx5 n GLY 106 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 1wx5 n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wx5 s THR 107 N 1.50 1.84 0.43 2.61 -1.32 -1.26 -4.78 115.64 114.66 1wx5 s THR 107 Ca 0.00 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1wx5 s THR 107 Cb 0.00 -2.28 -0.02 0.00 -1.51 0.00 0.00 72.50 68.69 1wx5 s THR 107 CO 0.00 0.00 0.66 -0.83 -2.21 0.00 0.00 174.62 172.24 1wx5 s GLY 108 N -3.14 1.48 0.54 6.08 0.00 -1.17 -4.38 107.32 106.73 1wx5 s GLY 108 Ca 0.68 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 44.29 1wx5 s GLY 108 CO 0.60 -0.77 1.15 1.09 0.00 0.00 0.00 173.10 175.16 1wx5 s ARG 109 N -4.52 3.35 0.09 2.90 1.70 -0.37 -4.70 118.95 117.40 1wx5 s ARG 109 Ca 0.46 1.67 -0.33 0.00 -0.47 0.00 0.00 55.73 57.05 1wx5 s ARG 109 Cb -0.10 -2.05 -0.15 0.00 -0.57 0.00 0.00 34.95 32.09 1wx5 s ARG 109 CO 0.39 -0.86 1.59 0.77 -1.08 0.00 0.00 175.30 176.10 1wx5 h SER 110 N 1.27 -1.18 -0.57 -2.89 0.02 -1.94 1.38 113.55 109.63 1wx5 h SER 110 Ca -0.50 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 60.66 1wx5 h SER 110 Cb 1.27 0.40 -0.11 0.00 0.14 0.00 0.00 62.40 64.09 1wx5 h SER 110 CO 0.57 -0.58 -0.14 1.07 -1.14 0.00 0.00 176.83 176.60 1wx5 n THR 111 N -5.52 -0.24 -0.98 -2.27 5.66 -1.26 -3.03 114.28 106.64 1wx5 n THR 111 Ca -0.11 1.32 0.00 0.00 -3.05 0.00 0.00 64.05 62.21 1wx5 n THR 111 Cb 0.42 -1.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.37 1wx5 n THR 111 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1wx5 n ASP 112 N -4.94 0.03 0.00 1.09 5.68 -1.20 -5.02 116.55 112.20 1wx5 n ASP 112 Ca 0.09 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1wx5 n ASP 112 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 -0.00 0.41 3.70 6.12 0.00 0.47 -4.95 105.19 110.93 1wx5 n GLY 113 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.47 4.33 0.18 1.61 3.52 -1.24 -0.90 118.95 125.99 1wx5 s ARG 114 Ca 0.00 1.88 -0.31 0.00 -0.13 0.00 0.00 55.73 57.17 1wx5 s ARG 114 Cb 0.00 -3.47 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1wx5 s ARG 114 CO 0.00 -0.46 1.53 0.08 -0.81 0.00 0.00 175.30 175.63 1wx5 s VAL 115 N 1.89 2.67 -0.43 7.11 1.01 0.10 -1.24 120.40 131.52 1wx5 s VAL 115 Ca 0.61 0.50 0.09 0.00 0.00 0.00 0.00 61.98 63.19 1wx5 s VAL 115 Cb -0.30 -3.32 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1wx5 s VAL 115 CO 0.27 0.05 0.40 0.23 0.00 0.00 0.00 175.10 176.04 1wx5 n MET 116 N 3.58 3.71 -4.08 2.72 0.00 -1.26 -4.01 117.12 117.78 1wx5 n MET 116 Ca 0.12 -0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.59 1wx5 n MET 116 Cb 0.39 -0.96 -0.06 0.00 0.00 0.00 0.00 33.22 32.59 1wx5 n MET 116 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1wx5 n ASP 117 N -1.25 1.43 -0.12 7.83 5.75 -1.26 -4.93 116.55 124.00 1wx5 n ASP 117 Ca 0.02 -2.86 0.01 0.00 -0.01 0.00 0.00 54.79 51.95 1wx5 n ASP 117 Cb 0.15 0.81 -0.01 0.00 -1.03 0.00 0.00 41.12 41.05 1wx5 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wx5 n GLY 118 N -0.32 -2.09 0.05 6.12 0.00 -1.24 -3.87 105.19 103.84 1wx5 n GLY 118 Ca -0.07 -1.46 0.08 0.00 0.00 0.00 0.00 46.02 44.58 1wx5 n GLY 118 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wx5 n PRO 119 N -2.59 0.08 -0.25 1.61 -0.02 -1.24 -3.27 135.00 129.31 1wx5 n PRO 119 Ca -0.00 0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.91 1wx5 n PRO 119 Cb 0.05 -1.66 0.21 0.00 -0.02 0.00 0.00 33.50 32.09 1wx5 n PRO 119 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1wx5 n PHE 120 N -1.80 0.65 -2.06 6.00 3.01 -1.26 -4.66 117.46 117.35 1wx5 n PHE 120 Ca 0.02 -0.52 -0.37 0.00 1.01 0.00 0.00 57.45 57.59 1wx5 n PHE 120 Cb 0.17 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.61 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 -1.11 2.85 0.50 4.37 0.00 -1.20 -4.63 121.76 122.54 1wx5 s ALA 121 Ca 0.32 1.08 0.20 0.00 0.00 0.00 0.00 51.96 53.56 1wx5 s ALA 121 Cb 0.17 -3.46 1.34 0.00 0.00 0.00 0.00 23.12 21.18 1wx5 s ALA 121 CO 0.20 -0.98 2.11 0.00 0.00 0.00 0.00 175.76 177.09 1wx5 h ALA 122 N 1.65 1.68 0.00 0.00 0.00 -1.81 -2.50 119.26 118.28 1wx5 h ALA 122 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1wx5 h ALA 122 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wx5 h ALA 122 CO 0.58 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.80 1wx5 n SER 123 N -4.17 0.59 0.18 0.00 3.41 -1.26 -2.52 113.62 109.85 1wx5 n SER 123 Ca -0.03 0.64 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1wx5 n SER 123 Cb 0.16 -0.77 0.19 0.00 -0.26 0.00 0.00 64.21 63.54 1wx5 n SER 123 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1wx5 h THR 124 N 0.00 0.57 0.00 6.66 1.35 -1.80 -3.47 112.91 116.22 1wx5 h THR 124 Ca 0.00 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1wx5 h THR 124 Cb 0.36 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1wx5 h THR 124 CO 0.00 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1wx5 n GLY 125 N 0.87 1.94 0.22 5.82 0.00 -1.05 -4.83 105.19 108.17 1wx5 n GLY 125 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.05 -3.31 1.61 3.02 -1.26 -4.62 115.26 111.75 1wx5 n ASN 126 Ca 0.00 -0.86 -0.26 0.00 -0.03 0.00 0.00 54.58 53.43 1wx5 n ASN 126 Cb 0.00 0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.31 1wx5 n ASN 126 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1wx5 n TRP 127 N -0.75 -0.30 -3.28 3.10 -0.00 -1.26 -4.82 117.44 110.13 1wx5 n TRP 127 Ca 0.10 -3.50 -0.35 0.00 -0.00 0.00 0.00 57.50 53.75 1wx5 n TRP 127 Cb 0.36 -0.10 -0.06 0.00 -0.00 0.00 0.00 31.31 31.51 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 -0.72 4.03 -0.54 5.87 0.04 -1.26 -4.57 135.00 137.85 1wx5 s PRO 128 Ca 0.34 0.58 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 1wx5 s PRO 128 Cb 0.10 -2.83 0.09 0.00 0.04 0.00 0.00 34.50 31.91 1wx5 s PRO 128 CO -0.15 0.40 0.61 0.42 0.04 0.00 0.00 177.00 178.32 1wx5 s ILE 129 N -1.58 4.95 -0.14 0.56 -1.09 0.52 -4.88 121.20 119.54 1wx5 s ILE 129 Ca 0.42 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1wx5 s ILE 129 Cb -0.14 -4.36 -0.24 0.00 -1.58 0.00 0.00 42.46 36.14 1wx5 s ILE 129 CO 0.20 -0.91 0.27 0.59 -1.23 0.00 0.00 174.94 173.86 1wx5 n ASN 130 N 5.97 1.79 -4.45 3.58 3.02 -1.26 -4.56 115.26 119.35 1wx5 n ASN 130 Ca -0.10 0.16 -0.44 0.00 -0.03 0.00 0.00 54.58 54.17 1wx5 n ASN 130 Cb 0.43 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.55 4.79 0.47 2.41 1.01 -1.26 -4.99 120.40 120.27 1wx5 s VAL 131 Ca -0.22 -1.69 0.05 0.00 0.00 0.00 0.00 61.98 60.13 1wx5 s VAL 131 Cb 0.07 -4.78 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1wx5 s VAL 131 CO 0.75 -1.50 0.13 0.00 0.00 0.00 0.00 175.10 174.48 1wx5 s ARG 132 N 2.51 2.17 -0.00 2.72 1.70 -1.26 -4.93 118.95 121.85 1wx5 s ARG 132 Ca 0.33 -2.12 0.03 0.00 -0.47 0.00 0.00 55.73 53.50 1wx5 s ARG 132 Cb -0.05 -1.79 -0.04 0.00 -0.57 0.00 0.00 34.95 32.50 1wx5 s ARG 132 CO -0.09 -0.28 0.08 1.33 -1.08 0.00 0.00 175.30 175.26 1wx5 n VAL 133 N -1.30 0.00 -4.23 4.99 0.24 -1.26 -5.04 118.33 111.73 1wx5 n VAL 133 Ca -0.08 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 1wx5 n VAL 133 Cb 0.66 0.58 -0.10 0.00 -1.47 0.00 0.00 33.84 33.51 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 -2.07 0.47 0.48 -1.34 1.47 -1.26 -5.06 116.67 109.35 1wx5 s ASP 134 Ca -0.01 -1.43 0.29 0.00 1.18 0.00 0.00 52.55 52.59 1wx5 s ASP 134 Cb 0.02 0.37 1.59 0.00 -0.34 0.00 0.00 42.92 44.56 1wx5 s ASP 134 CO 0.12 -0.85 1.89 0.77 0.68 0.00 0.00 175.17 177.78 1wx5 h SER 135 N 2.53 0.00 -3.40 2.11 4.64 -2.01 -3.44 113.55 113.97 1wx5 h SER 135 Ca -0.35 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.44 1wx5 h SER 135 Cb 1.25 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1wx5 h SER 135 CO 0.52 0.00 0.70 -0.13 -0.87 0.00 0.00 176.83 177.05 1wx5 s ARG 136 N -3.78 4.34 0.00 4.77 0.52 -1.26 -4.94 118.95 118.60 1wx5 s ARG 136 Ca -0.03 2.17 0.07 0.00 -0.52 0.00 0.00 55.73 57.41 1wx5 s ARG 136 Cb 0.08 -3.15 0.16 0.00 0.52 0.00 0.00 34.95 32.56 1wx5 s ARG 136 CO 0.27 -0.32 1.05 0.25 0.02 0.00 0.00 175.30 176.57 1wx5 n THR 137 N 2.43 0.74 -4.15 0.02 -2.24 -1.26 -4.89 114.28 104.92 1wx5 n THR 137 Ca 0.06 -0.87 -0.26 0.00 -2.27 0.00 0.00 64.05 60.71 1wx5 n THR 137 Cb 0.42 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.90 2.99 0.19 4.78 -0.85 -1.26 -0.35 117.35 121.95 1wx5 s TYR 138 Ca 0.13 -0.08 -0.30 0.00 -0.52 0.00 0.00 57.07 56.30 1wx5 s TYR 138 Cb 0.07 -1.44 -0.08 0.00 0.38 0.00 0.00 41.96 40.89 1wx5 s TYR 138 CO 0.10 0.52 1.26 -1.17 -1.52 0.00 0.00 175.55 174.74 1wx5 s LEU 139 N -3.07 4.43 0.07 -3.49 2.96 -1.26 -4.90 118.68 113.41 1wx5 s LEU 139 Ca 0.29 2.32 0.07 0.00 -0.22 0.00 0.00 54.13 56.59 1wx5 s LEU 139 Cb -0.09 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1wx5 s LEU 139 CO 0.21 -0.46 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.48 1wx5 s ARG 140 N -0.17 1.09 0.29 1.98 0.52 -1.26 -0.72 118.95 120.68 1wx5 s ARG 140 Ca 0.55 -0.97 -0.09 0.00 -0.52 0.00 0.00 55.73 54.70 1wx5 s ARG 140 Cb -0.35 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1wx5 s ARG 140 CO 0.37 0.29 0.48 1.03 0.02 0.00 0.00 175.30 177.50 1wx5 s ARG 141 N -1.50 1.70 -0.34 3.54 0.52 -0.08 -3.17 118.95 119.62 1wx5 s ARG 141 Ca 0.04 -1.45 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 1wx5 s ARG 141 Cb -0.09 0.46 0.31 0.00 0.52 0.00 0.00 34.95 36.15 1wx5 s ARG 141 CO 0.03 -0.71 1.31 0.45 0.02 0.00 0.00 175.30 176.40 1wx5 n SER 142 N -0.79 -1.40 -4.60 0.23 2.88 0.76 -3.03 113.62 107.68 1wx5 n SER 142 Ca -0.01 -2.05 -0.50 0.00 -1.33 0.00 0.00 58.87 54.98 1wx5 n SER 142 Cb 0.62 1.12 -0.06 0.00 -0.75 0.00 0.00 64.21 65.14 1wx5 n SER 142 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wx5 n LEU 143 N 0.80 2.82 -0.00 2.46 4.77 -1.10 -0.44 117.00 126.31 1wx5 n LEU 143 Ca -0.02 0.72 -0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1wx5 n LEU 143 Cb 0.73 -1.32 -0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1wx5 n LEU 143 CO -0.09 -0.41 -0.00 0.61 -1.33 0.00 0.00 177.39 176.17 1wx5 n GLY 144 N 5.25 0.39 0.09 -0.72 0.00 0.50 -4.93 105.19 105.77 1wx5 n GLY 144 Ca 0.30 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.10 1.38 -0.02 0.00 -0.92 -3.38 103.07 100.03 1wx5 h GLY 145 Ca -0.00 0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 1wx5 h GLY 145 CO 0.00 -0.04 -0.89 1.76 0.00 0.00 0.00 176.54 177.37 1wx5 h SER 146 N -0.93 0.73 -4.05 0.19 0.02 -1.78 -3.46 113.55 104.28 1wx5 h SER 146 Ca -0.01 -0.54 -0.58 0.00 -0.84 0.00 0.00 61.79 59.83 1wx5 h SER 146 Cb 0.56 -0.22 -0.21 0.00 0.14 0.00 0.00 62.40 62.67 1wx5 h SER 146 CO 0.02 1.32 -0.83 0.54 -1.14 0.00 0.00 176.83 176.74 1wx5 s VAL 147 N -3.46 1.82 0.00 2.27 0.11 -1.26 -5.03 120.40 114.85 1wx5 s VAL 147 Ca -0.08 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.34 1wx5 s VAL 147 Cb 0.09 -1.67 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1wx5 s VAL 147 CO 0.89 -0.06 0.23 0.00 -3.33 0.00 0.00 175.10 172.82 1wx5 n ALA 148 N 0.96 0.00 -2.54 1.54 0.00 -1.26 -4.49 120.51 114.71 1wx5 n ALA 148 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.99 1wx5 n ALA 148 Cb 0.54 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.99 1wx5 n ALA 148 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wx5 s GLU 149 N -0.45 1.98 0.48 0.00 2.02 -1.26 -4.78 118.70 116.68 1wx5 s GLU 149 Ca 0.00 -2.22 -0.03 0.00 0.02 0.00 0.00 54.97 52.74 1wx5 s GLU 149 Cb 0.00 -0.68 -0.01 0.00 0.10 0.00 0.00 34.13 33.54 1wx5 s GLU 149 CO 0.00 -0.49 0.74 -0.51 0.02 0.00 0.00 175.26 175.02 1wx5 s LEU 150 N -3.64 3.59 0.93 1.80 1.43 -1.26 -4.98 118.68 116.56 1wx5 s LEU 150 Ca 0.21 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.78 1wx5 s LEU 150 Cb 0.02 -3.47 0.07 0.00 0.03 0.00 0.00 46.19 42.85 1wx5 s LEU 150 CO 0.14 -0.70 0.67 -2.65 0.23 0.00 0.00 176.35 174.04 1wx5 n PRO 151 N -2.21 -0.33 -4.05 1.29 -0.02 -1.26 -5.00 135.00 123.42 1wx5 n PRO 151 Ca 0.01 -0.05 -0.22 0.00 -2.02 0.00 0.00 63.50 61.22 1wx5 n PRO 151 Cb 0.57 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1wx5 n PRO 151 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wx5 s THR 152 N -2.46 3.74 0.27 3.45 -4.23 -1.26 -4.27 115.64 110.88 1wx5 s THR 152 Ca 0.61 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.58 1wx5 s THR 152 Cb -0.22 -3.16 0.25 0.00 1.34 0.00 0.00 72.50 70.71 1wx5 s THR 152 CO 0.64 -0.27 1.75 -0.09 -0.54 0.00 0.00 174.62 176.10 1wx5 h ARG 153 N 1.50 0.56 0.01 3.99 9.65 -1.95 -0.04 114.38 128.09 1wx5 h ARG 153 Ca -0.46 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 1wx5 h ARG 153 Cb 1.25 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 1wx5 h ARG 153 CO 0.60 0.37 -0.07 0.00 2.80 0.00 0.00 179.97 183.67 1wx5 h ALA 154 N 1.59 -0.09 0.02 2.80 0.00 -1.98 -1.11 119.26 120.49 1wx5 h ALA 154 Ca 0.48 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.41 1wx5 h ALA 154 Cb 0.74 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1wx5 h ALA 154 CO -0.40 -0.57 -0.09 0.93 0.00 0.00 0.00 179.25 179.12 1wx5 h GLU 155 N -0.14 -0.15 -0.61 0.00 5.08 -1.59 -0.95 114.58 116.23 1wx5 h GLU 155 Ca 0.03 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1wx5 h GLU 155 Cb 0.17 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 1wx5 h GLU 155 CO -0.07 -0.10 0.22 0.28 -1.00 0.00 0.00 179.01 178.34 1wx5 h VAL 156 N -0.16 0.75 -0.31 3.13 2.07 -0.85 0.15 116.25 121.04 1wx5 h VAL 156 Ca 0.03 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1wx5 h VAL 156 Cb 0.19 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1wx5 h VAL 156 CO -0.08 0.07 0.16 -0.33 0.02 0.00 0.00 177.57 177.41 1wx5 h GLU 157 N 0.39 0.41 -0.85 1.57 5.08 -0.78 0.10 114.58 120.51 1wx5 h GLU 157 Ca 0.31 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1wx5 h GLU 157 Cb 0.39 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1wx5 h GLU 157 CO -0.32 0.31 0.50 1.03 -1.00 0.00 0.00 179.01 179.53 1wx5 h SER 158 N 0.42 1.03 0.01 1.42 0.87 0.66 -1.45 113.55 116.52 1wx5 h SER 158 Ca 0.11 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1wx5 h SER 158 Cb 0.03 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1wx5 h SER 158 CO -0.02 0.80 -0.01 0.58 -0.53 0.00 0.00 176.83 177.66 1wx5 h VAL 159 N 1.17 1.49 -0.22 2.23 2.07 -0.69 -3.20 116.25 119.11 1wx5 h VAL 159 Ca 0.30 -1.95 0.06 0.00 0.82 0.00 0.00 66.70 65.94 1wx5 h VAL 159 Cb -0.02 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 1wx5 h VAL 159 CO -0.05 0.47 0.49 -0.07 0.02 0.00 0.00 177.57 178.43 1wx5 h LEU 160 N -0.92 0.00 -0.68 2.57 3.38 -0.93 0.40 115.31 119.13 1wx5 h LEU 160 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wx5 h LEU 160 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1wx5 h LEU 160 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1wx5 h ALA 161 N 1.23 1.00 -2.15 1.53 0.00 -1.25 -3.45 119.26 116.17 1wx5 h ALA 161 Ca 0.10 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.46 1wx5 h ALA 161 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1wx5 h ALA 161 CO -0.00 0.00 1.09 0.42 0.00 0.00 0.00 179.25 180.76 1wx5 s ILE 162 N -3.40 3.69 0.25 0.00 1.01 0.14 -4.92 121.20 117.97 1wx5 s ILE 162 Ca 0.05 0.81 0.09 0.00 0.00 0.00 0.00 60.65 61.60 1wx5 s ILE 162 Cb 0.08 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1wx5 s ILE 162 CO 0.58 -0.16 1.56 0.28 0.00 0.00 0.00 174.94 177.20 1wx5 h SER 163 N 9.98 0.02 -3.29 3.58 0.02 -1.87 -3.41 113.55 118.58 1wx5 h SER 163 Ca -0.36 -0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 59.99 1wx5 h SER 163 Cb 1.16 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1wx5 h SER 163 CO 0.97 0.69 0.65 0.00 -1.14 0.00 0.00 176.83 178.00 1wx5 s ALA 164 N -3.49 3.58 0.13 3.77 0.00 -1.26 -4.78 121.76 119.71 1wx5 s ALA 164 Ca -0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.61 1wx5 s ALA 164 Cb 0.12 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 1wx5 s ALA 164 CO 0.77 -1.21 1.67 -0.92 0.00 0.00 0.00 175.76 176.07 1wx5 h TYR 165 N 7.88 -0.37 -2.99 0.00 5.03 -1.84 1.59 116.97 126.27 1wx5 h TYR 165 Ca -0.22 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.15 1wx5 h TYR 165 Cb 1.08 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.52 1wx5 h TYR 165 CO 0.78 -0.21 0.25 0.34 -1.32 0.00 0.00 178.16 178.00 1wx5 s ASP 166 N -5.07 -0.14 -0.03 -2.11 -1.08 -1.26 0.41 116.67 107.39 1wx5 s ASP 166 Ca -0.14 -0.85 -0.25 0.00 -0.52 0.00 0.00 52.55 50.79 1wx5 s ASP 166 Cb 0.10 0.78 0.05 0.00 -1.46 0.00 0.00 42.92 42.40 1wx5 s ASP 166 CO 0.68 -1.50 0.55 -0.76 0.52 0.00 0.00 175.17 174.66 1wx5 s LEU 167 N -2.99 -0.12 0.72 -1.34 1.43 -1.23 -4.93 118.68 110.22 1wx5 s LEU 167 Ca 0.13 0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 53.53 1wx5 s LEU 167 Cb -0.06 2.10 -0.01 0.00 0.03 0.00 0.00 46.19 48.25 1wx5 s LEU 167 CO 0.09 -0.58 0.76 -2.65 0.23 0.00 0.00 176.35 174.21 1wx5 n PRO 168 N 0.95 0.40 0.00 1.29 -0.02 -1.26 -1.11 135.00 135.26 1wx5 n PRO 168 Ca -0.20 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1wx5 n PRO 168 Cb 0.57 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.35 0.64 -3.98 0.52 -0.04 -1.26 -4.69 135.00 124.84 1wx5 n PRO 169 Ca 0.12 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 1wx5 n PRO 169 Cb 0.50 -1.32 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.19 -1.57 -2.33 0.54 4.02 -0.27 -4.93 117.16 112.81 1wx5 n TYR 170 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 1wx5 n TYR 170 Cb 0.16 -3.18 0.00 0.00 -0.02 0.00 0.00 39.34 36.30 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 -2.61 0.00 0.00 7.72 0.23 -1.26 -4.51 115.26 114.83 1wx5 n ASN 171 Ca -0.19 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 53.97 1wx5 n ASN 171 Cb 0.62 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.93 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 0.00 0.00 -0.18 0.53 3.41 -1.26 -2.07 113.62 114.05 1wx5 n SER 172 Ca 0.00 -0.57 0.06 0.00 -0.26 0.00 0.00 58.87 58.11 1wx5 n SER 172 Cb 0.00 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.04 3.31 -0.91 7.33 0.00 -1.26 -4.56 120.51 123.38 1wx5 n ALA 173 Ca 0.15 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 1wx5 n ALA 173 Cb 0.08 -0.48 0.14 0.00 0.00 0.00 0.00 19.45 19.20 1wx5 n ALA 173 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wx5 n SER 174 N -0.65 0.53 -4.91 0.00 7.64 -0.88 -4.93 113.62 110.42 1wx5 n SER 174 Ca 0.04 0.50 -0.23 0.00 1.01 0.00 0.00 58.87 60.19 1wx5 n SER 174 Cb 0.25 -1.47 -0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1wx5 n SER 174 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wx5 s GLU 175 N -4.28 2.36 0.00 1.43 0.41 -1.26 -4.85 118.70 112.50 1wx5 s GLU 175 Ca 0.70 -1.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 1wx5 s GLU 175 Cb -0.26 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 1wx5 s GLU 175 CO 0.55 -0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.22 1wx5 n GLY 176 N -1.77 1.80 0.41 -1.39 0.00 -1.26 -3.51 105.19 99.47 1wx5 n GLY 176 Ca 0.03 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1wx5 n GLY 176 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wx5 h PHE 177 N 0.00 -1.28 -0.58 1.61 3.57 0.24 -3.17 116.94 117.33 1wx5 h PHE 177 Ca 0.00 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1wx5 h PHE 177 Cb 0.00 0.54 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 1wx5 h PHE 177 CO 0.00 -0.51 -0.47 -0.09 -2.23 0.00 0.00 178.31 175.02 1wx5 h ARG 178 N -0.65 -0.15 -0.02 1.11 1.12 -0.25 0.43 114.38 115.96 1wx5 h ARG 178 Ca -0.01 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1wx5 h ARG 178 Cb 0.65 0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.64 1wx5 h ARG 178 CO -0.23 -0.10 0.02 -0.97 -3.11 0.00 0.00 179.97 175.58 1wx5 h ASN 179 N -0.16 0.00 0.21 -3.80 -1.24 -1.81 0.65 115.58 109.43 1wx5 h ASN 179 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.81 1wx5 h ASN 179 Cb 0.41 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.49 1wx5 h ASN 179 CO -0.63 0.00 -1.29 0.45 -1.29 0.00 0.00 177.43 174.67 1wx5 h HIS 180 N 0.00 0.90 0.40 0.67 3.86 -1.27 0.70 115.15 120.41 1wx5 h HIS 180 Ca 0.01 -0.64 -0.02 0.00 -1.16 0.00 0.00 60.37 58.56 1wx5 h HIS 180 Cb 0.05 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1wx5 h HIS 180 CO 0.00 1.49 -0.19 1.25 0.86 0.00 0.00 177.93 181.34 1wx5 h LEU 181 N 0.05 -0.46 -0.83 2.43 5.85 0.14 -2.31 115.31 120.19 1wx5 h LEU 181 Ca -0.22 -0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.61 1wx5 h LEU 181 Cb 2.01 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 43.07 1wx5 h LEU 181 CO 0.24 -0.27 0.42 -0.08 -0.34 0.00 0.00 178.44 178.41 1wx5 h GLU 182 N -0.62 0.59 0.00 1.25 4.81 0.21 -1.45 114.58 119.37 1wx5 h GLU 182 Ca -0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1wx5 h GLU 182 Cb 0.46 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1wx5 h GLU 182 CO 0.09 0.39 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 1wx5 n GLY 183 N -1.32 1.61 0.21 1.92 0.00 0.22 -1.13 105.19 106.69 1wx5 n GLY 183 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 -3.24 1.61 4.06 -1.82 -3.39 115.95 113.17 1wx5 h TRP 184 Ca 0.00 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.80 1wx5 h TRP 184 Cb 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 27.94 1wx5 h TRP 184 CO 0.00 0.00 -0.41 1.03 -3.56 0.00 0.00 178.44 175.50 1wx5 s ARG 185 N -3.51 0.46 0.83 0.49 0.52 -1.23 -4.96 118.95 111.55 1wx5 s ARG 185 Ca -0.02 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 1wx5 s ARG 185 Cb 0.05 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.72 1wx5 s ARG 185 CO 0.15 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1wx5 n GLY 186 N 1.98 -1.80 0.53 -3.53 0.00 -1.26 -4.18 105.19 96.94 1wx5 n GLY 186 Ca -0.19 -1.67 0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 0.20 -3.17 1.61 -1.51 -1.91 -3.47 116.25 108.00 1wx5 h VAL 187 Ca 0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1wx5 h VAL 187 Cb 0.00 0.10 -0.02 0.00 -2.13 0.00 0.00 31.29 29.24 1wx5 h VAL 187 CO 0.00 0.02 -0.29 -3.20 -1.23 0.00 0.00 177.57 172.87 1wx5 n ASN 188 N -4.41 -2.13 0.00 4.19 2.85 -1.26 -5.04 115.26 109.47 1wx5 n ASN 188 Ca 0.35 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 55.12 1wx5 n ASN 188 Cb 1.47 -1.85 0.00 0.00 1.24 0.00 0.00 39.78 40.64 1wx5 n ASN 188 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1wx5 n LEU 189 N 0.35 0.00 -0.19 1.20 4.77 -1.25 -4.50 117.00 117.37 1wx5 n LEU 189 Ca -0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1wx5 n LEU 189 Cb 0.10 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1wx5 n LEU 189 CO 0.06 0.00 0.60 -0.74 -1.33 0.00 0.00 177.39 175.98 1wx5 h HIS 190 N 0.00 -1.08 -0.34 -1.77 2.76 -1.30 -2.19 115.15 111.22 1wx5 h HIS 190 Ca 0.00 0.07 0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1wx5 h HIS 190 Cb 0.00 0.55 -0.03 0.00 1.55 0.00 0.00 27.41 29.48 1wx5 h HIS 190 CO 0.00 -0.40 0.15 -0.91 -1.30 0.00 0.00 177.93 175.46 1wx5 h ASN 191 N -0.20 0.19 -0.79 3.26 4.21 -1.37 -2.84 115.58 118.04 1wx5 h ASN 191 Ca 0.20 0.03 0.07 0.00 1.21 0.00 0.00 56.30 57.81 1wx5 h ASN 191 Cb 0.56 -0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.69 1wx5 h ASN 191 CO -0.67 0.15 0.47 -0.09 -1.29 0.00 0.00 177.43 176.00 1wx5 h ARG 192 N 0.31 0.82 -0.51 0.81 2.43 -1.68 -0.81 114.38 115.75 1wx5 h ARG 192 Ca 0.15 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.33 1wx5 h ARG 192 Cb 0.09 -0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 1wx5 h ARG 192 CO -0.13 0.54 0.20 0.28 -1.51 0.00 0.00 179.97 179.35 1wx5 h VAL 193 N 0.84 0.86 -0.85 0.20 2.07 -1.18 1.09 116.25 119.28 1wx5 h VAL 193 Ca 0.35 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.75 1wx5 h VAL 193 Cb 0.21 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1wx5 h VAL 193 CO -0.19 0.07 0.56 0.45 0.02 0.00 0.00 177.57 178.48 1wx5 h HIS 194 N 0.39 1.08 -0.22 1.57 3.86 -1.18 -1.27 115.15 119.39 1wx5 h HIS 194 Ca 0.24 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.30 1wx5 h HIS 194 Cb 0.24 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1wx5 h HIS 194 CO -0.15 0.68 -0.55 0.28 0.86 0.00 0.00 177.93 179.06 1wx5 h VAL 195 N 1.16 1.31 -0.30 2.45 2.07 0.63 -3.08 116.25 120.49 1wx5 h VAL 195 Ca 0.31 -1.78 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 1wx5 h VAL 195 Cb -0.13 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1wx5 h VAL 195 CO -0.07 0.56 -0.19 -0.25 0.02 0.00 0.00 177.57 177.65 1wx5 h TRP 196 N 0.51 0.61 -0.04 1.57 7.01 0.17 -3.17 115.95 122.61 1wx5 h TRP 196 Ca 0.01 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 1wx5 h TRP 196 Cb 1.12 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 28.02 1wx5 h TRP 196 CO 0.05 0.70 -0.05 0.28 -2.79 0.00 0.00 178.44 176.64 1wx5 h VAL 197 N 0.49 1.39 0.00 2.65 2.07 -1.27 0.14 116.25 121.73 1wx5 h VAL 197 Ca 0.08 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1wx5 h VAL 197 Cb 0.61 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1wx5 h VAL 197 CO 0.04 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1wx5 n GLY 198 N 0.26 -1.05 7.00 2.17 0.00 -1.17 -0.17 105.19 112.23 1wx5 n GLY 198 Ca -0.08 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 3.28 0.14 -0.02 0.00 -1.23 -1.99 105.19 105.37 1wx5 n GLY 199 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.01 1wx5 n GLY 199 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wx5 h GLN 200 N 0.00 0.00 -0.41 1.61 7.50 -1.88 -3.30 115.11 118.63 1wx5 h GLN 200 Ca 0.00 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.22 1wx5 h GLN 200 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 1wx5 h GLN 200 CO 0.00 0.28 0.28 0.52 -1.50 0.00 0.00 178.83 178.41 1wx5 h MET 201 N 0.00 0.26 -0.06 1.46 2.86 -1.59 0.66 114.93 118.52 1wx5 h MET 201 Ca -0.04 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1wx5 h MET 201 Cb 1.31 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1wx5 h MET 201 CO 0.04 0.17 0.00 0.00 1.06 0.00 0.00 176.91 178.18 1wx5 n ALA 202 N -2.54 2.58 -2.69 6.32 0.00 -1.17 -4.60 120.51 118.41 1wx5 n ALA 202 Ca 0.06 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1wx5 n ALA 202 Cb 0.29 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 1wx5 n ALA 202 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wx5 s THR 203 N -1.93 1.48 -1.42 0.00 -4.23 0.22 -4.98 115.64 104.79 1wx5 s THR 203 Ca 0.29 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1wx5 s THR 203 Cb 0.14 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1wx5 s THR 203 CO 0.23 0.00 0.34 0.61 -0.54 0.00 0.00 174.62 175.26 1wx5 n GLY 204 N -1.20 0.22 2.53 3.99 0.00 -1.26 -2.44 105.19 107.02 1wx5 n GLY 204 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1wx5 n GLY 204 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wx5 n VAL 205 N -0.06 0.56 0.14 1.61 0.24 -1.26 -4.23 118.33 115.32 1wx5 n VAL 205 Ca 0.00 -3.35 0.01 0.00 -2.04 0.00 0.00 64.34 58.96 1wx5 n VAL 205 Cb 0.07 0.45 0.33 0.00 -1.47 0.00 0.00 33.84 33.21 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 2.94 0.14 0.18 -1.34 4.64 -1.46 -3.09 113.55 115.55 1wx5 h SER 206 Ca -0.05 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wx5 h SER 206 Cb 1.12 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1wx5 h SER 206 CO 0.45 0.45 0.00 -2.65 -0.87 0.00 0.00 176.83 174.22 1wx5 n PRO 207 N -4.13 0.06 0.31 4.77 -0.02 -1.26 -1.89 135.00 132.84 1wx5 n PRO 207 Ca -0.01 0.29 0.17 0.00 -2.02 0.00 0.00 63.50 61.93 1wx5 n PRO 207 Cb 0.39 -1.50 0.99 0.00 -0.02 0.00 0.00 33.50 33.36 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 0.00 -3.76 2.55 2.35 -1.89 -3.37 115.58 111.46 1wx5 h ASN 208 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 1wx5 h ASN 208 Cb 0.09 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.27 1wx5 h ASN 208 CO 0.00 0.01 -0.52 -0.62 -1.65 0.00 0.00 177.43 174.64 1wx5 s ASP 209 N -5.85 5.84 0.58 5.81 -1.08 -0.79 -4.97 116.67 116.21 1wx5 s ASP 209 Ca -0.05 -0.28 0.30 0.00 -0.52 0.00 0.00 52.55 52.00 1wx5 s ASP 209 Cb 0.14 -2.08 1.44 0.00 -1.46 0.00 0.00 42.92 40.96 1wx5 s ASP 209 CO 0.51 -0.14 1.85 1.55 0.52 0.00 0.00 175.17 179.45 1wx5 h PRO 210 N 8.39 0.00 0.00 4.34 0.13 -1.87 0.12 132.00 143.12 1wx5 h PRO 210 Ca -0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1wx5 h PRO 210 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1wx5 h PRO 210 CO 0.59 0.00 -0.01 -0.24 -0.23 0.00 0.00 178.00 178.12 1wx5 h VAL 211 N 0.00 0.27 -0.69 1.56 3.04 -1.92 -2.58 116.25 115.93 1wx5 h VAL 211 Ca 0.31 -0.04 0.15 0.00 -1.01 0.00 0.00 66.70 66.10 1wx5 h VAL 211 Cb 1.50 1.03 -0.10 0.00 -2.01 0.00 0.00 31.29 31.70 1wx5 h VAL 211 CO -0.00 0.01 0.13 0.15 -1.01 0.00 0.00 177.57 176.85 1wx5 h PHE 212 N 0.00 0.20 -0.17 3.17 3.04 -1.01 0.23 116.94 122.39 1wx5 h PHE 212 Ca -0.00 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.84 1wx5 h PHE 212 Cb 0.03 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1wx5 h PHE 212 CO 0.00 -0.09 -0.54 -1.49 -2.02 0.00 0.00 178.31 174.17 1wx5 h TRP 213 N 0.24 0.62 -0.15 0.41 4.06 -1.67 -0.84 115.95 118.61 1wx5 h TRP 213 Ca 0.38 -0.21 -0.08 0.00 2.06 0.00 0.00 58.89 61.04 1wx5 h TRP 213 Cb 0.63 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 28.67 1wx5 h TRP 213 CO -0.28 0.92 -0.20 -0.07 -3.56 0.00 0.00 178.44 175.25 1wx5 h LEU 214 N 0.38 0.44 0.40 -4.49 4.07 -1.47 -1.20 115.31 113.45 1wx5 h LEU 214 Ca 0.01 -0.51 -0.01 0.00 0.08 0.00 0.00 57.88 57.45 1wx5 h LEU 214 Cb 1.06 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 1wx5 h LEU 214 CO 0.10 0.86 -0.45 -0.74 -1.08 0.00 0.00 178.44 177.13 1wx5 h HIS 215 N 0.03 -1.25 0.00 1.13 -0.00 -0.47 -1.88 115.15 112.72 1wx5 h HIS 215 Ca 0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1wx5 h HIS 215 Cb 0.76 0.49 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1wx5 h HIS 215 CO 0.09 -0.58 0.00 0.45 -0.00 0.00 0.00 177.93 177.89 1wx5 h HIS 216 N -0.86 0.00 0.00 5.26 3.86 -1.20 0.99 115.15 123.19 1wx5 h HIS 216 Ca -0.05 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1wx5 h HIS 216 Cb 0.76 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 1wx5 h HIS 216 CO -0.26 0.00 -0.21 0.00 0.86 0.00 0.00 177.93 178.33 1wx5 h ALA 217 N 2.01 0.97 0.13 2.45 0.00 -0.52 -0.38 119.26 123.92 1wx5 h ALA 217 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 1wx5 h ALA 217 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1wx5 h ALA 217 CO 0.00 0.26 -1.69 -0.92 0.00 0.00 0.00 179.25 176.90 1wx5 h TYR 218 N 0.00 0.50 -0.40 0.00 3.20 -0.49 -2.25 116.97 117.54 1wx5 h TYR 218 Ca -0.00 -0.37 -0.05 0.00 3.14 0.00 0.00 58.73 61.45 1wx5 h TYR 218 Cb 0.82 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1wx5 h TYR 218 CO 0.00 1.50 0.03 0.28 -1.64 0.00 0.00 178.16 178.34 1wx5 h VAL 219 N 0.08 1.21 -0.48 1.81 2.07 -1.32 0.22 116.25 119.84 1wx5 h VAL 219 Ca -0.31 -0.80 -0.11 0.00 0.82 0.00 0.00 66.70 66.31 1wx5 h VAL 219 Cb 2.04 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1wx5 h VAL 219 CO 0.15 0.28 -0.12 -0.78 0.02 0.00 0.00 177.57 177.12 1wx5 h ASP 220 N 0.59 0.93 0.24 0.57 3.58 -1.11 -2.39 116.42 118.83 1wx5 h ASP 220 Ca 0.13 -0.36 -0.09 0.00 0.42 0.00 0.00 57.03 57.13 1wx5 h ASP 220 Cb 0.32 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1wx5 h ASP 220 CO 0.01 1.08 -0.35 0.50 -2.88 0.00 0.00 179.24 177.59 1wx5 h LYS 221 N 0.77 0.17 -0.25 0.28 3.64 -0.70 -2.81 116.57 117.68 1wx5 h LYS 221 Ca 0.12 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1wx5 h LYS 221 Cb 0.67 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1wx5 h LYS 221 CO 0.05 0.51 0.03 -0.07 -2.27 0.00 0.00 179.45 177.69 1wx5 h LEU 222 N 0.15 0.40 -1.04 5.20 3.38 -0.31 -0.30 115.31 122.80 1wx5 h LEU 222 Ca 0.02 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.82 1wx5 h LEU 222 Cb 0.70 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1wx5 h LEU 222 CO 0.05 0.57 0.63 -0.25 0.09 0.00 0.00 178.44 179.54 1wx5 h TRP 223 N 0.22 1.14 -0.51 1.13 7.01 -1.28 0.15 115.95 123.81 1wx5 h TRP 223 Ca 0.07 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 61.02 1wx5 h TRP 223 Cb 0.35 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1wx5 h TRP 223 CO 0.02 0.51 -0.02 0.00 -2.79 0.00 0.00 178.44 176.17 1wx5 h ALA 224 N 1.51 1.00 0.00 2.65 0.00 -1.22 0.20 119.26 123.40 1wx5 h ALA 224 Ca 0.47 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1wx5 h ALA 224 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wx5 h ALA 224 CO -0.22 0.61 -0.56 0.93 0.00 0.00 0.00 179.25 180.01 1wx5 h GLU 225 N 0.81 0.00 -0.06 0.00 5.08 0.77 -2.40 114.58 118.78 1wx5 h GLU 225 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1wx5 h GLU 225 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1wx5 h GLU 225 CO 0.03 0.56 -0.12 2.35 -1.00 0.00 0.00 179.01 180.82 1wx5 h TRP 226 N 0.00 0.23 -0.98 4.33 7.01 -0.40 -2.35 115.95 123.79 1wx5 h TRP 226 Ca -0.01 -0.09 0.18 0.00 2.11 0.00 0.00 58.89 61.09 1wx5 h TRP 226 Cb 1.06 -0.04 -0.11 0.00 -2.10 0.00 0.00 29.16 27.98 1wx5 h TRP 226 CO 0.00 0.72 0.58 1.96 -2.79 0.00 0.00 178.44 178.91 1wx5 h GLN 227 N -0.32 0.72 -0.16 2.65 4.20 -0.88 0.52 115.11 121.85 1wx5 h GLN 227 Ca 0.00 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1wx5 h GLN 227 Cb 0.71 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1wx5 h GLN 227 CO 0.03 0.48 -0.49 -0.09 -0.67 0.00 0.00 178.83 178.09 1wx5 h ARG 228 N 0.75 0.41 -0.08 1.46 2.43 -1.36 -3.00 114.38 114.98 1wx5 h ARG 228 Ca 0.56 -0.23 -0.22 0.00 -0.81 0.00 0.00 59.98 59.28 1wx5 h ARG 228 Cb 0.86 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1wx5 h ARG 228 CO -0.38 0.81 -0.84 0.00 -1.51 0.00 0.00 179.97 178.05 1wx5 h ARG 229 N 0.33 0.61 -2.64 0.20 3.08 0.16 -3.37 114.38 112.76 1wx5 h ARG 229 Ca 0.02 -0.55 -0.63 0.00 0.07 0.00 0.00 59.98 58.89 1wx5 h ARG 229 Cb 0.98 0.13 -0.41 0.00 0.08 0.00 0.00 29.97 30.75 1wx5 h ARG 229 CO 0.08 1.17 -0.47 0.72 -1.07 0.00 0.00 179.97 180.40 1wx5 n HIS 230 N -3.86 3.50 0.04 3.04 8.25 0.14 -4.88 115.22 121.45 1wx5 n HIS 230 Ca -0.07 -4.14 0.02 0.00 -0.26 0.00 0.00 57.72 53.28 1wx5 n HIS 230 Cb 0.77 -0.67 0.38 0.00 1.12 0.00 0.00 29.99 31.60 1wx5 n HIS 230 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1wx5 h PRO 231 N 4.82 0.44 0.00 -0.41 0.11 -1.70 -1.59 132.00 133.66 1wx5 h PRO 231 Ca 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1wx5 h PRO 231 Cb 0.70 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1wx5 h PRO 231 CO 0.82 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.63 1wx5 n ASP 232 N -4.36 0.14 -4.66 -2.05 5.75 -1.26 -4.73 116.55 105.38 1wx5 n ASP 232 Ca 0.01 0.52 -0.33 0.00 -0.01 0.00 0.00 54.79 54.98 1wx5 n ASP 232 Cb 0.17 -0.56 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 1wx5 n ASP 232 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1wx5 s SER 233 N -3.26 5.01 0.36 -1.12 0.01 -0.60 -5.11 113.70 108.98 1wx5 s SER 233 Ca 0.10 0.00 -0.06 0.00 1.31 0.00 0.00 55.95 57.30 1wx5 s SER 233 Cb 0.13 -1.31 0.02 0.00 0.21 0.00 0.00 66.02 65.08 1wx5 s SER 233 CO 0.41 0.31 0.57 0.00 0.41 0.00 0.00 173.24 174.94 1wx5 n ALA 234 N 1.69 -0.76 -1.59 1.44 0.00 -1.26 -4.90 120.51 115.13 1wx5 n ALA 234 Ca -0.16 -1.48 -0.42 0.00 0.00 0.00 0.00 53.44 51.38 1wx5 n ALA 234 Cb 0.53 1.19 0.00 0.00 0.00 0.00 0.00 19.45 21.17 1wx5 n ALA 234 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1wx5 n TYR 235 N -0.55 1.09 -3.65 0.00 9.36 -1.26 -4.61 117.16 117.54 1wx5 n TYR 235 Ca -0.02 0.59 -0.12 0.00 3.32 0.00 0.00 57.90 61.67 1wx5 n TYR 235 Cb 0.58 -2.22 -0.06 0.00 -0.63 0.00 0.00 39.34 37.01 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 -1.24 0.05 0.86 2.97 -7.23 -1.26 -4.67 120.40 109.88 1wx5 s VAL 236 Ca 0.62 -0.45 -0.10 0.00 -1.81 0.00 0.00 61.98 60.23 1wx5 s VAL 236 Cb -0.59 -0.99 0.11 0.00 0.56 0.00 0.00 36.38 35.46 1wx5 s VAL 236 CO 0.58 -0.25 1.13 -2.16 -0.31 0.00 0.00 175.10 174.09 1wx5 s PRO 237 N -2.72 1.50 -0.35 4.82 0.04 -1.26 -4.80 135.00 132.23 1wx5 s PRO 237 Ca -0.04 1.43 0.09 0.00 0.04 0.00 0.00 61.00 62.52 1wx5 s PRO 237 Cb -0.00 -1.79 0.71 0.00 0.04 0.00 0.00 34.50 33.46 1wx5 s PRO 237 CO -0.04 -2.25 1.80 0.25 0.04 0.00 0.00 177.00 176.80 1wx5 n THR 238 N -3.91 2.96 0.00 1.26 -2.24 -1.26 -1.24 114.28 109.85 1wx5 n THR 238 Ca 0.11 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1wx5 n THR 238 Cb 0.52 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.44 3.87 1.56 3.38 0.00 -1.26 -4.80 105.19 107.50 1wx5 n GLY 239 Ca 0.44 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.32 2.70 3.61 -0.02 0.00 -1.26 -5.02 105.19 104.89 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 -2.24 3.21 0.21 2.61 2.01 -1.26 -4.95 115.64 115.24 1wx5 s THR 241 Ca 0.00 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1wx5 s THR 241 Cb 0.00 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1wx5 s THR 241 CO 0.00 -0.14 1.25 -2.16 -0.69 0.00 0.00 174.62 172.88 1wx5 s PRO 242 N 5.72 4.44 0.00 4.92 0.04 -1.26 -3.07 135.00 145.80 1wx5 s PRO 242 Ca 0.90 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1wx5 s PRO 242 Cb -0.31 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1wx5 s PRO 242 CO 0.35 -0.15 0.00 -0.25 0.04 0.00 0.00 177.00 176.99 1wx5 n ASP 243 N 2.27 0.00 -4.45 6.66 8.00 -1.26 -4.99 116.55 122.77 1wx5 n ASP 243 Ca 0.04 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.24 1wx5 n ASP 243 Cb 0.43 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.25 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 -3.01 2.71 -0.41 2.53 1.01 -1.17 -2.27 120.40 119.78 1wx5 s VAL 244 Ca 0.00 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 1wx5 s VAL 244 Cb 0.00 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.23 1wx5 s VAL 244 CO 0.00 0.26 0.91 -0.69 0.00 0.00 0.00 175.10 175.58 1wx5 s VAL 245 N -0.99 4.54 0.63 2.92 1.01 -1.26 -4.76 120.40 122.49 1wx5 s VAL 245 Ca 0.15 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.98 1wx5 s VAL 245 Cb -0.10 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1wx5 s VAL 245 CO 0.06 -0.68 1.00 -1.81 0.00 0.00 0.00 175.10 173.68 1wx5 s ASP 246 N 2.07 5.87 0.32 3.32 1.11 -1.26 -4.55 116.67 123.55 1wx5 s ASP 246 Ca 0.37 1.16 0.05 0.00 0.18 0.00 0.00 52.55 54.30 1wx5 s ASP 246 Cb -0.11 -2.14 0.85 0.00 1.07 0.00 0.00 42.92 42.58 1wx5 s ASP 246 CO 0.22 -1.03 1.55 -0.11 1.18 0.00 0.00 175.17 176.99 1wx5 n LEU 247 N -2.75 -0.04 -1.16 1.23 7.94 -0.37 -1.43 117.00 120.42 1wx5 n LEU 247 Ca 0.05 1.67 0.04 0.00 -1.11 0.00 0.00 56.01 56.67 1wx5 n LEU 247 Cb 0.56 -0.64 0.26 0.00 0.53 0.00 0.00 43.42 44.13 1wx5 n LEU 247 CO 0.56 -1.72 0.77 0.59 -1.11 0.00 0.00 177.39 176.48 1wx5 n ASN 248 N -5.44 3.84 -4.94 1.96 5.03 -1.26 -1.80 115.26 112.65 1wx5 n ASN 248 Ca 0.26 -3.19 -0.26 0.00 0.87 0.00 0.00 54.58 52.25 1wx5 n ASN 248 Cb 0.84 -0.60 -0.03 0.00 -1.02 0.00 0.00 39.78 38.97 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 -2.94 3.48 -0.13 3.52 2.02 -0.51 -4.98 118.70 119.16 1wx5 s GLU 249 Ca 0.45 -0.50 -0.15 0.00 0.02 0.00 0.00 54.97 54.80 1wx5 s GLU 249 Cb 0.37 -2.88 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 1wx5 s GLU 249 CO 0.08 0.44 0.36 0.95 0.02 0.00 0.00 175.26 177.10 1wx5 s THR 250 N -1.86 5.25 0.39 3.63 -4.23 -1.26 -3.90 115.64 113.66 1wx5 s THR 250 Ca 0.36 0.69 -0.08 0.00 -1.18 0.00 0.00 61.69 61.48 1wx5 s THR 250 Cb -0.11 -3.69 -0.05 0.00 1.34 0.00 0.00 72.50 69.99 1wx5 s THR 250 CO 0.29 0.40 0.72 -0.04 -0.54 0.00 0.00 174.62 175.45 1wx5 s MET 251 N 0.32 3.69 0.44 3.99 1.00 -0.30 -4.70 119.30 123.73 1wx5 s MET 251 Ca 0.20 0.29 -0.12 0.00 0.00 0.00 0.00 55.69 56.07 1wx5 s MET 251 Cb -0.14 -2.45 -0.07 0.00 0.00 0.00 0.00 34.83 32.18 1wx5 s MET 251 CO 0.07 -0.01 0.82 0.15 0.00 0.00 0.00 175.02 176.04 1wx5 s LYS 252 N -3.99 3.80 0.00 2.03 1.02 -1.26 -0.10 119.74 121.24 1wx5 s LYS 252 Ca 0.49 0.57 0.25 0.00 0.02 0.00 0.00 55.97 57.29 1wx5 s LYS 252 Cb -0.10 -2.33 1.10 0.00 -0.52 0.00 0.00 37.83 35.98 1wx5 s LYS 252 CO 0.34 -0.11 1.76 -0.35 -0.92 0.00 0.00 175.35 176.07 1wx5 n PRO 253 N -1.44 1.50 0.00 -1.68 -0.04 -1.26 -4.85 135.00 127.24 1wx5 n PRO 253 Ca 0.03 -0.74 -0.18 0.00 -0.04 0.00 0.00 63.50 62.58 1wx5 n PRO 253 Cb 0.54 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.66 0.63 -1.18 0.54 6.55 -1.93 -3.47 115.95 118.75 1wx5 h TRP 254 Ca 0.00 -0.34 -0.40 0.00 0.95 0.00 0.00 58.89 59.10 1wx5 h TRP 254 Cb 0.36 -0.07 -0.14 0.00 -0.86 0.00 0.00 29.16 28.44 1wx5 h TRP 254 CO 0.03 1.16 -0.38 0.09 -1.05 0.00 0.00 178.44 178.29 1wx5 n ASN 255 N -4.20 -5.40 0.00 -3.49 3.02 0.86 -4.73 115.26 101.31 1wx5 n ASN 255 Ca -0.10 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.87 1wx5 n ASN 255 Cb 0.68 -4.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 1wx5 n ASN 255 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1wx5 n THR 256 N -2.64 0.00 -5.18 3.41 -1.04 -1.26 -4.91 114.28 102.66 1wx5 n THR 256 Ca -0.20 -0.11 -0.30 0.00 -2.04 0.00 0.00 64.05 61.40 1wx5 n THR 256 Cb 0.65 1.27 -0.16 0.00 -1.82 0.00 0.00 70.33 70.26 1wx5 n THR 256 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wx5 s VAL 257 N -0.14 1.92 0.07 12.58 0.11 -1.26 -5.03 120.40 128.64 1wx5 s VAL 257 Ca 0.00 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.12 1wx5 s VAL 257 Cb 0.00 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.19 1wx5 s VAL 257 CO 0.00 0.54 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.04 1wx5 s ARG 258 N -0.20 2.11 0.58 1.54 0.52 -1.26 -1.15 118.95 121.08 1wx5 s ARG 258 Ca -0.01 -0.99 0.31 0.00 -0.52 0.00 0.00 55.73 54.51 1wx5 s ARG 258 Cb -0.13 -2.26 1.38 0.00 0.52 0.00 0.00 34.95 34.47 1wx5 s ARG 258 CO 0.03 0.53 1.73 -1.35 0.02 0.00 0.00 175.30 176.26 1wx5 h PRO 259 N 4.11 0.00 0.00 3.54 0.11 -1.67 0.99 132.00 139.08 1wx5 h PRO 259 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1wx5 h PRO 259 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1wx5 h PRO 259 CO 0.50 0.00 -0.36 0.00 -0.21 0.00 0.00 178.00 177.93 1wx5 h ALA 260 N 1.23 1.14 0.00 -0.75 0.00 -1.69 -2.52 119.26 116.67 1wx5 h ALA 260 Ca 0.38 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wx5 h ALA 260 Cb 1.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1wx5 h ALA 260 CO -0.00 0.45 -0.04 -0.25 0.00 0.00 0.00 179.25 179.40 1wx5 n ASP 261 N -3.73 0.21 -0.36 0.00 8.00 0.34 -3.80 116.55 117.21 1wx5 n ASP 261 Ca -0.01 0.46 0.04 0.00 0.71 0.00 0.00 54.79 55.99 1wx5 n ASP 261 Cb 0.45 -0.50 0.09 0.00 -0.02 0.00 0.00 41.12 41.14 1wx5 n ASP 261 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wx5 n LEU 262 N -1.66 2.57 -0.19 0.64 4.77 -0.96 -4.72 117.00 117.44 1wx5 n LEU 262 Ca 0.07 -2.13 -0.09 0.00 -0.03 0.00 0.00 56.01 53.83 1wx5 n LEU 262 Cb 0.36 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1wx5 n LEU 262 CO 0.28 0.63 0.84 -0.07 -1.33 0.00 0.00 177.39 177.74 1wx5 h LEU 263 N 1.05 0.91 -8.13 2.23 3.38 -1.62 -3.38 115.31 109.75 1wx5 h LEU 263 Ca 0.00 -0.29 -0.74 0.00 0.09 0.00 0.00 57.88 56.95 1wx5 h LEU 263 Cb 0.69 -0.24 -0.25 0.00 0.09 0.00 0.00 40.66 40.95 1wx5 h LEU 263 CO 0.01 0.97 -0.33 -0.62 0.09 0.00 0.00 178.44 178.56 1wx5 s ASP 264 N -6.39 5.97 0.45 -0.43 2.15 -1.26 -4.94 116.67 112.23 1wx5 s ASP 264 Ca -0.12 -1.62 0.15 0.00 0.43 0.00 0.00 52.55 51.39 1wx5 s ASP 264 Cb 0.12 -2.12 1.03 0.00 -0.30 0.00 0.00 42.92 41.65 1wx5 s ASP 264 CO 0.83 -0.70 2.00 1.12 -0.17 0.00 0.00 175.17 178.24 1wx5 h HIS 265 N 8.67 0.00 0.00 -5.34 2.07 -1.88 -3.13 115.15 115.54 1wx5 h HIS 265 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1wx5 h HIS 265 Cb 1.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1wx5 h HIS 265 CO 0.66 0.18 0.18 0.25 -3.07 0.00 0.00 177.93 176.13 1wx5 n THR 266 N -4.29 1.15 0.17 6.12 -2.24 -1.14 0.13 114.28 114.19 1wx5 n THR 266 Ca -0.02 0.58 0.05 0.00 -2.27 0.00 0.00 64.05 62.39 1wx5 n THR 266 Cb 0.24 -1.58 0.19 0.00 -2.10 0.00 0.00 70.33 67.09 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 1.38 0.83 0.00 6.98 0.00 -1.97 -3.36 119.26 123.12 1wx5 h ALA 267 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1wx5 h ALA 267 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1wx5 h ALA 267 CO 0.00 0.48 -1.67 0.66 0.00 0.00 0.00 179.25 178.72 1wx5 n TYR 268 N -3.31 0.00 -3.82 0.00 4.02 0.12 -5.11 117.16 109.05 1wx5 n TYR 268 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.83 1wx5 n TYR 268 Cb 0.61 -0.46 0.02 0.00 -0.02 0.00 0.00 39.34 39.49 1wx5 n TYR 268 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1wx5 s TYR 269 N -2.24 0.07 0.13 -0.72 -0.85 -0.43 -4.64 117.35 108.68 1wx5 s TYR 269 Ca -0.14 -0.67 -0.04 0.00 -0.52 0.00 0.00 57.07 55.70 1wx5 s TYR 269 Cb 0.04 0.80 -0.03 0.00 0.38 0.00 0.00 41.96 43.15 1wx5 s TYR 269 CO 0.30 -1.40 0.14 0.95 -1.52 0.00 0.00 175.55 174.01 1wx5 s THR 270 N -2.49 0.10 0.25 -3.49 -4.23 -0.91 -2.90 115.64 101.97 1wx5 s THR 270 Ca 0.16 -1.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1wx5 s THR 270 Cb -0.05 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 1wx5 s THR 270 CO 0.10 -0.46 0.36 -0.36 -0.54 0.00 0.00 174.62 173.72 1wx5 s PHE 271 N -4.00 3.38 0.21 3.99 0.40 -1.26 -0.59 117.98 120.11 1wx5 s PHE 271 Ca 0.19 -0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.39 1wx5 s PHE 271 Cb 0.06 -1.61 0.15 0.00 0.51 0.00 0.00 43.02 42.12 1wx5 s PHE 271 CO -0.01 0.39 1.74 0.38 0.70 0.00 0.00 175.22 178.42 1wx5 h ASP 272 N 1.16 1.08 -5.01 1.36 -0.00 -1.77 -3.46 116.42 109.78 1wx5 h ASP 272 Ca -0.51 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.03 56.27 1wx5 h ASP 272 Cb 1.23 -0.28 -0.15 0.00 -0.00 0.00 0.00 39.33 40.13 1wx5 h ASP 272 CO 0.60 1.00 0.13 0.00 -0.00 0.00 0.00 179.24 180.98 1wx5 s ALA 273 N -5.38 -1.52 0.00 4.15 0.00 -1.26 -5.12 121.76 112.62 1wx5 s ALA 273 Ca -0.12 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1wx5 s ALA 273 Cb 0.15 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1wx5 s ALA 273 CO 0.84 -0.56 0.00 1.28 0.00 0.00 0.00 175.76 177.32 1wx5 n LEU 274 N 0.25 0.00 -4.13 0.00 4.77 -1.26 -5.06 117.00 111.56 1wx5 n LEU 274 Ca -0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 1wx5 n LEU 274 Cb 0.61 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1wx5 n LEU 274 CO 0.18 0.00 -0.08 -0.70 -1.33 0.00 0.00 177.39 175.46 1wx5 s GLU 275 N 2.91 1.38 0.00 3.23 2.12 -1.26 -5.15 118.70 121.93 1wx5 s GLU 275 Ca 0.00 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 53.79 1wx5 s GLU 275 Cb 0.00 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.74 1wx5 s GLU 275 CO 0.00 -0.51 0.00 0.72 -0.54 0.00 0.00 175.26 174.93