#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wku h TRP 43 N 0.00 0.42 -0.09 0.00 5.08 -2.00 -2.85 115.95 116.52 1wku h TRP 43 Ca 0.00 -0.07 -0.00 0.00 1.08 0.00 0.00 58.89 59.90 1wku h TRP 43 Cb 0.00 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 26.04 1wku h TRP 43 CO 0.00 0.54 0.05 1.49 -1.28 0.00 0.00 178.44 179.24 1wku h GLU 44 N 0.36 0.12 -0.60 0.12 4.81 -2.03 -1.06 114.58 116.31 1wku h GLU 44 Ca 0.07 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1wku h GLU 44 Cb 0.51 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1wku h GLU 44 CO 0.03 0.15 0.27 -0.22 -0.73 0.00 0.00 179.01 178.51 1wku h LYS 45 N 0.05 0.88 -0.23 1.92 3.64 -1.97 -0.92 116.57 119.93 1wku h LYS 45 Ca 0.03 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1wku h LYS 45 Cb 0.07 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1wku h LYS 45 CO -0.00 0.72 -0.27 1.96 -2.27 0.00 0.00 179.45 179.59 1wku h GLN 46 N 0.82 0.59 -0.32 1.90 4.20 -1.43 -2.44 115.11 118.43 1wku h GLN 46 Ca 0.20 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1wku h GLN 46 Cb 0.15 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1wku h GLN 46 CO -0.02 0.92 -0.18 1.96 -0.67 0.00 0.00 178.83 180.84 1wku h GLN 47 N 0.29 0.59 0.04 1.46 4.20 -1.17 -1.62 115.11 118.89 1wku h GLN 47 Ca 0.03 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1wku h GLN 47 Cb 0.83 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1wku h GLN 47 CO 0.06 0.74 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.85 1wku h ARG 48 N 0.53 -0.05 0.10 1.46 2.43 -1.07 0.19 114.38 117.97 1wku h ARG 48 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1wku h ARG 48 Cb 0.61 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1wku h ARG 48 CO 0.04 -0.00 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.23 1wku h LYS 49 N -0.08 -0.13 -0.17 0.20 3.64 -1.30 -2.03 116.57 116.69 1wku h LYS 49 Ca -0.01 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1wku h LYS 49 Cb 0.07 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1wku h LYS 49 CO 0.01 0.04 0.02 1.15 -2.27 0.00 0.00 179.45 178.40 1wku h THR 50 N -0.28 1.23 -0.55 1.00 2.02 -1.25 -1.79 112.91 113.30 1wku h THR 50 Ca -0.01 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1wku h THR 50 Cb 0.23 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1wku h THR 50 CO 0.02 0.23 0.09 -0.26 0.37 0.00 0.00 175.52 175.98 1wku h PHE 51 N 0.07 0.91 -0.32 3.16 0.05 -0.70 -0.29 116.94 119.82 1wku h PHE 51 Ca 0.05 -0.10 -0.02 0.00 3.82 0.00 0.00 57.97 61.72 1wku h PHE 51 Cb 0.33 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.01 1wku h PHE 51 CO 0.02 0.78 0.13 1.15 -0.18 0.00 0.00 178.31 180.21 1wku h THR 52 N 0.83 1.18 -0.72 -1.55 2.02 -1.27 -0.57 112.91 112.83 1wku h THR 52 Ca 0.17 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 1wku h THR 52 Cb 0.36 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1wku h THR 52 CO 0.01 0.19 0.24 0.00 0.37 0.00 0.00 175.52 176.33 1wku h ALA 53 N 0.97 1.07 -0.24 6.16 0.00 -1.03 -1.12 119.26 125.07 1wku h ALA 53 Ca 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wku h ALA 53 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wku h ALA 53 CO -0.01 0.64 0.08 2.35 0.00 0.00 0.00 179.25 182.31 1wku h TRP 54 N 1.06 0.37 -0.76 0.00 7.01 -0.79 -0.40 115.95 122.45 1wku h TRP 54 Ca 0.24 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.24 1wku h TRP 54 Cb 0.27 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.17 1wku h TRP 54 CO 0.02 0.42 0.48 0.00 -2.79 0.00 0.00 178.44 176.57 1wku h ASN 56 N 0.93 0.33 0.33 0.00 -0.26 -0.90 0.66 115.58 116.67 1wku h ASN 56 Ca 0.31 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 1wku h ASN 56 Cb 0.03 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.20 1wku h ASN 56 CO -0.12 0.54 0.00 0.77 -1.06 0.00 0.00 177.43 177.57 1wku h SER 57 N 0.31 0.00 0.00 5.81 4.64 -0.25 -2.27 113.55 121.79 1wku h SER 57 Ca 0.06 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.00 1wku h SER 57 Cb 0.52 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.55 1wku h SER 57 CO 0.03 0.00 -2.35 1.41 -0.87 0.00 0.00 176.83 175.06 1wku n HIS 58 N -2.99 0.00 0.17 4.77 8.25 -0.80 -4.49 115.22 120.13 1wku n HIS 58 Ca -0.02 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.60 1wku n HIS 58 Cb 0.14 -0.89 0.74 0.00 1.12 0.00 0.00 29.99 31.10 1wku n HIS 58 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1wku h LEU 59 N -0.42 0.00 -2.28 2.41 3.38 -0.80 -0.80 115.31 116.81 1wku h LEU 59 Ca -0.57 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.41 1wku h LEU 59 Cb 1.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 1wku h LEU 59 CO -0.22 0.00 0.02 0.08 0.09 0.00 0.00 178.44 178.41 1wku h ARG 60 N 0.00 0.00 0.00 1.13 0.11 -1.25 0.15 114.38 114.53 1wku h ARG 60 Ca 0.10 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 1wku h ARG 60 Cb 0.46 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 1wku h ARG 60 CO -0.00 0.00 -0.06 0.87 0.10 0.00 0.00 179.97 180.88 1wku h LYS 61 N 0.00 0.00 -0.62 0.08 1.57 -1.41 -2.23 116.57 113.97 1wku h LYS 61 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1wku h LYS 61 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1wku h LYS 61 CO -0.00 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 1wku n ALA 62 N -2.12 2.38 -1.49 3.86 0.00 0.50 -4.97 120.51 118.67 1wku n ALA 62 Ca 0.01 -1.21 -0.02 0.00 0.00 0.00 0.00 53.44 52.22 1wku n ALA 62 Cb 0.36 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1wku n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wku n GLY 63 N 1.55 0.43 3.55 0.00 0.00 -0.84 -5.04 105.19 104.84 1wku n GLY 63 Ca 0.22 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1wku n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wku s THR 64 N -2.09 0.00 0.13 2.61 -1.32 -1.03 -5.01 115.64 108.93 1wku s THR 64 Ca 0.00 -1.48 -0.11 0.00 -1.21 0.00 0.00 61.69 58.89 1wku s THR 64 Cb 0.00 -2.50 0.01 0.00 -1.51 0.00 0.00 72.50 68.49 1wku s THR 64 CO 0.00 0.00 0.30 -1.10 -2.21 0.00 0.00 174.62 171.61 1wku s GLN 65 N -3.36 1.05 0.35 7.08 -1.52 -1.26 -2.83 119.66 119.17 1wku s GLN 65 Ca 0.26 -0.97 0.09 0.00 -1.95 0.00 0.00 55.36 52.79 1wku s GLN 65 Cb -0.01 0.40 -0.06 0.00 -0.22 0.00 0.00 33.01 33.12 1wku s GLN 65 CO 0.15 -0.38 0.00 0.96 -0.25 0.00 0.00 175.29 175.77 1wku s ILE 66 N -3.89 2.49 0.00 1.08 -4.36 -1.26 -5.07 121.20 110.20 1wku s ILE 66 Ca 0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1wku s ILE 66 Cb 0.03 -2.80 0.00 0.00 1.25 0.00 0.00 42.46 40.94 1wku s ILE 66 CO -0.07 -0.17 0.00 1.21 0.24 0.00 0.00 174.94 176.15 1wku n GLU 67 N -0.95 0.00 -3.91 0.37 2.13 -1.26 -4.97 120.64 112.05 1wku n GLU 67 Ca -0.04 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.44 1wku n GLU 67 Cb 0.63 -0.39 -0.14 0.00 0.27 0.00 0.00 31.44 31.81 1wku n GLU 67 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1wku s ASN 68 N -4.91 4.91 0.54 4.31 0.01 -1.26 -4.99 114.94 113.56 1wku s ASN 68 Ca 0.00 -1.63 0.23 0.00 -0.71 0.00 0.00 52.86 50.76 1wku s ASN 68 Cb 0.00 -1.71 1.43 0.00 0.41 0.00 0.00 41.25 41.38 1wku s ASN 68 CO 0.00 -0.34 2.07 -0.29 -1.51 0.00 0.00 177.10 177.03 1wku h ILE 69 N 6.50 0.74 -0.06 0.60 2.10 -1.94 0.82 117.51 126.27 1wku h ILE 69 Ca -0.16 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.78 1wku h ILE 69 Cb 1.05 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1wku h ILE 69 CO 0.56 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.79 1wku n GLU 70 N -4.27 1.50 0.00 2.19 0.00 -1.26 -4.22 120.64 114.57 1wku n GLU 70 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 57.16 56.46 1wku n GLU 70 Cb 0.37 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.39 1wku n GLU 70 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wku n GLU 71 N -0.08 0.00 0.00 3.44 -0.58 -0.28 -4.46 120.64 118.68 1wku n GLU 71 Ca 0.18 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 57.03 1wku n GLU 71 Cb 0.27 -0.70 0.64 0.00 -0.57 0.00 0.00 31.44 31.08 1wku n GLU 71 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wku n ASP 72 N -2.75 0.00 -0.19 1.62 8.00 0.12 -2.53 116.55 120.83 1wku n ASP 72 Ca 0.00 -0.68 0.03 0.00 0.71 0.00 0.00 54.79 54.85 1wku n ASP 72 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1wku n ASP 72 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wku n PHE 73 N -1.00 0.00 -0.20 1.24 0.99 -1.26 -4.61 117.46 112.62 1wku n PHE 73 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.67 1wku n PHE 73 Cb 0.07 0.00 0.33 0.00 -1.00 0.00 0.00 39.48 38.89 1wku n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1wku h ARG 74 N 0.94 0.78 -0.01 -1.08 3.08 -1.72 -0.61 114.38 115.77 1wku h ARG 74 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1wku h ARG 74 Cb 0.22 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1wku h ARG 74 CO 0.00 0.52 -0.06 0.27 -1.07 0.00 0.00 179.97 179.63 1wku n ASN 75 N -4.48 0.78 0.00 7.04 0.23 -1.26 -4.44 115.26 113.13 1wku n ASN 75 Ca 0.11 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.14 1wku n ASN 75 Cb 0.22 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1wku n ASN 75 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wku n GLY 76 N 1.18 1.91 0.14 4.83 0.00 -0.24 -4.56 105.19 108.46 1wku n GLY 76 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1wku n GLY 76 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wku h LEU 77 N 0.00 -0.24 -0.36 0.99 3.38 -1.90 -1.17 115.31 116.01 1wku h LEU 77 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1wku h LEU 77 Cb 0.00 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wku h LEU 77 CO 0.00 -0.15 0.00 0.11 0.09 0.00 0.00 178.44 178.49 1wku h LYS 78 N -0.23 0.00 -0.16 1.13 1.57 -1.90 -2.17 116.57 114.81 1wku h LYS 78 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1wku h LYS 78 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1wku h LYS 78 CO 0.01 0.00 -0.46 1.25 -0.57 0.00 0.00 179.45 179.67 1wku h LEU 79 N 0.00 0.68 -0.56 2.94 5.85 -1.80 -0.88 115.31 121.54 1wku h LEU 79 Ca 0.00 -0.59 -0.06 0.00 0.84 0.00 0.00 57.88 58.06 1wku h LEU 79 Cb 0.76 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1wku h LEU 79 CO 0.00 1.15 0.10 0.24 -0.34 0.00 0.00 178.44 179.59 1wku h MET 80 N 0.24 0.92 -0.52 1.25 2.86 -1.06 -2.48 114.93 116.15 1wku h MET 80 Ca -0.01 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1wku h MET 80 Cb 1.08 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1wku h MET 80 CO 0.10 0.88 0.27 -0.07 1.06 0.00 0.00 176.91 179.16 1wku h LEU 81 N 0.82 0.66 -0.55 1.22 3.38 -1.34 -1.92 115.31 117.58 1wku h LEU 81 Ca 0.17 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.11 1wku h LEU 81 Cb 0.40 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1wku h LEU 81 CO 0.01 0.57 0.21 0.25 0.09 0.00 0.00 178.44 179.57 1wku h LEU 82 N 0.69 0.23 -1.05 1.67 5.85 -0.96 -0.58 115.31 121.17 1wku h LEU 82 Ca 0.18 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1wku h LEU 82 Cb 0.07 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1wku h LEU 82 CO -0.03 0.15 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.12 1wku h LEU 83 N 0.40 0.61 -0.39 2.25 3.38 -1.14 -1.95 115.31 118.48 1wku h LEU 83 Ca 0.27 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1wku h LEU 83 Cb 0.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wku h LEU 83 CO -0.26 0.71 -0.13 -0.33 0.09 0.00 0.00 178.44 178.52 1wku h GLU 84 N 0.60 0.78 0.03 1.13 5.08 -0.53 -1.61 114.58 120.06 1wku h GLU 84 Ca 0.12 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1wku h GLU 84 Cb 0.43 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wku h GLU 84 CO 0.02 0.93 -0.02 0.28 -1.00 0.00 0.00 179.01 179.23 1wku h VAL 85 N 0.58 1.07 0.00 3.13 2.07 -0.89 0.39 116.25 122.61 1wku h VAL 85 Ca 0.09 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1wku h VAL 85 Cb 0.67 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1wku h VAL 85 CO 0.05 0.08 -0.11 0.16 0.02 0.00 0.00 177.57 177.76 1wku h ILE 86 N -0.17 0.24 0.00 4.57 3.07 -1.38 -3.25 117.51 120.59 1wku h ILE 86 Ca -0.00 -0.96 -0.05 0.00 1.55 0.00 0.00 64.86 65.40 1wku h ILE 86 Cb 0.16 1.78 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 1wku h ILE 86 CO 0.01 0.11 -2.00 -1.54 -1.05 0.00 0.00 178.15 173.67 1wku n SER 87 N -3.20 0.05 0.00 2.16 3.41 -0.61 -4.96 113.62 110.47 1wku n SER 87 Ca 0.01 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1wku n SER 87 Cb 0.43 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 66.16 1wku n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wku n GLY 88 N 1.32 0.37 3.77 5.00 0.00 0.12 -5.00 105.19 110.78 1wku n GLY 88 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1wku n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wku s GLU 89 N -0.57 2.59 -0.18 1.61 2.02 -1.22 -5.05 118.70 117.90 1wku s GLU 89 Ca 0.00 -1.34 -0.07 0.00 0.02 0.00 0.00 54.97 53.59 1wku s GLU 89 Cb 0.00 -2.35 -0.04 0.00 0.10 0.00 0.00 34.13 31.84 1wku s GLU 89 CO 0.00 0.21 0.04 0.50 0.02 0.00 0.00 175.26 176.04 1wku s ARG 90 N -3.86 3.88 0.53 1.61 3.52 -1.26 -4.41 118.95 118.96 1wku s ARG 90 Ca 0.36 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.59 1wku s ARG 90 Cb -0.05 -3.17 0.03 0.00 -1.56 0.00 0.00 34.95 30.19 1wku s ARG 90 CO 0.24 0.22 0.75 -0.51 -0.81 0.00 0.00 175.30 175.18 1wku s LEU 91 N 0.51 3.35 0.75 -0.88 1.02 -1.26 -5.06 118.68 117.11 1wku s LEU 91 Ca 0.02 0.01 -0.15 0.00 0.02 0.00 0.00 54.13 54.03 1wku s LEU 91 Cb -0.13 -2.90 0.03 0.00 0.02 0.00 0.00 46.19 43.21 1wku s LEU 91 CO 0.01 -1.06 1.06 -2.65 0.02 0.00 0.00 176.35 173.73 1wku n PRO 92 N -2.28 0.43 -1.84 1.29 -0.02 -1.26 -4.89 135.00 126.43 1wku n PRO 92 Ca 0.07 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 1wku n PRO 92 Cb 0.59 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 1wku n PRO 92 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1wku s ARG 93 N -3.60 3.86 0.65 -0.52 1.70 -1.26 -4.97 118.95 114.81 1wku s ARG 93 Ca 0.74 2.43 -0.11 0.00 -0.47 0.00 0.00 55.73 58.31 1wku s ARG 93 Cb -0.33 -2.77 -0.02 0.00 -0.57 0.00 0.00 34.95 31.26 1wku s ARG 93 CO 0.50 -0.68 1.05 -1.25 -1.08 0.00 0.00 175.30 173.84 1wku s PRO 94 N -2.30 3.31 0.13 3.89 0.04 -1.26 -5.04 135.00 133.77 1wku s PRO 94 Ca 0.58 0.77 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 1wku s PRO 94 Cb -0.44 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 1wku s PRO 94 CO 0.57 -0.78 0.81 -0.51 0.04 0.00 0.00 177.00 177.13 1wku s ASP 95 N -4.09 7.37 -0.14 6.66 1.11 -1.26 -5.06 116.67 121.25 1wku s ASP 95 Ca 0.56 1.62 -0.03 0.00 0.18 0.00 0.00 52.55 54.89 1wku s ASP 95 Cb -0.12 -2.51 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 1wku s ASP 95 CO 0.54 0.11 -0.06 -0.54 1.18 0.00 0.00 175.17 176.40 1wku s LYS 96 N -0.66 3.56 0.00 8.23 1.02 -1.26 -4.95 119.74 125.68 1wku s LYS 96 Ca 0.38 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1wku s LYS 96 Cb -0.23 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1wku s LYS 96 CO 0.26 0.26 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 1wku n GLY 97 N 3.46 4.40 0.17 -3.33 0.00 -1.26 -4.99 105.19 103.64 1wku n GLY 97 Ca -0.18 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 44.98 1wku n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wku h LYS 98 N 0.00 0.00 -6.75 1.61 1.79 -2.00 -3.44 116.57 107.78 1wku h LYS 98 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 1wku h LYS 98 Cb 0.00 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 30.77 1wku h LYS 98 CO 0.00 0.00 0.43 -1.33 -1.08 0.00 0.00 179.45 177.47 1wku n MET 99 N -2.77 1.88 -0.31 3.15 2.81 -1.26 -4.88 117.12 115.73 1wku n MET 99 Ca 0.04 0.67 0.07 0.00 -1.81 0.00 0.00 57.70 56.66 1wku n MET 99 Cb 0.50 -2.28 0.23 0.00 -0.71 0.00 0.00 33.22 30.96 1wku n MET 99 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1wku h ARG 100 N 2.16 0.70 0.00 0.03 2.43 -2.01 -1.00 114.38 116.70 1wku h ARG 100 Ca -0.46 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1wku h ARG 100 Cb 1.30 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1wku h ARG 100 CO 0.60 0.47 -0.04 0.27 -1.51 0.00 0.00 179.97 179.76 1wku h PHE 101 N 0.72 0.00 -0.27 2.20 -5.15 -1.97 -0.82 116.94 111.65 1wku h PHE 101 Ca 0.47 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 58.05 1wku h PHE 101 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.77 1wku h PHE 101 CO -0.06 0.04 -0.55 0.45 -2.00 0.00 0.00 178.31 176.18 1wku h HIS 102 N 0.00 1.07 -0.32 6.09 3.86 -1.49 -1.73 115.15 122.63 1wku h HIS 102 Ca -0.00 -0.39 -0.06 0.00 -1.16 0.00 0.00 60.37 58.76 1wku h HIS 102 Cb 0.13 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 1wku h HIS 102 CO 0.00 1.22 -0.03 0.87 0.86 0.00 0.00 177.93 180.85 1wku h LYS 103 N 0.62 0.59 -0.92 2.45 1.57 -1.17 -1.59 116.57 118.12 1wku h LYS 103 Ca 0.01 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1wku h LYS 103 Cb 1.17 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1wku h LYS 103 CO 0.12 0.74 0.60 0.82 -0.57 0.00 0.00 179.45 181.16 1wku h ILE 104 N 0.37 1.18 -0.40 1.86 1.08 -1.19 -1.10 117.51 119.32 1wku h ILE 104 Ca 0.09 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 1wku h ILE 104 Cb 0.50 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 1wku h ILE 104 CO 0.02 0.22 0.17 0.00 -0.69 0.00 0.00 178.15 177.87 1wku h ALA 105 N 1.36 0.52 -0.40 1.87 0.00 -1.05 -0.99 119.26 120.57 1wku h ALA 105 Ca 0.36 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1wku h ALA 105 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wku h ALA 105 CO -0.10 0.12 0.03 -0.91 0.00 0.00 0.00 179.25 178.38 1wku h ASN 106 N 0.51 0.67 -0.83 0.00 2.35 -0.90 -1.23 115.58 116.15 1wku h ASN 106 Ca 0.13 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1wku h ASN 106 Cb 0.18 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1wku h ASN 106 CO -0.01 0.79 0.39 0.58 -1.65 0.00 0.00 177.43 177.53 1wku h VAL 107 N 0.53 1.26 -0.13 2.81 2.07 -1.11 -1.56 116.25 120.11 1wku h VAL 107 Ca 0.12 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1wku h VAL 107 Cb 0.43 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1wku h VAL 107 CO 0.02 0.32 -0.18 0.78 0.02 0.00 0.00 177.57 178.52 1wku h ASN 108 N 1.19 0.21 -0.67 0.57 -0.26 -0.98 0.13 115.58 115.78 1wku h ASN 108 Ca 0.28 -0.05 -0.08 0.00 -0.56 0.00 0.00 56.30 55.89 1wku h ASN 108 Cb 0.14 -0.06 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1wku h ASN 108 CO -0.03 0.42 0.11 0.11 -1.06 0.00 0.00 177.43 176.97 1wku h LYS 109 N 0.21 1.11 -0.08 0.81 1.57 -0.30 0.13 116.57 120.01 1wku h LYS 109 Ca 0.04 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.51 1wku h LYS 109 Cb 0.45 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1wku h LYS 109 CO 0.03 1.01 -0.02 0.00 -0.57 0.00 0.00 179.45 179.90 1wku h ALA 110 N 1.07 0.11 -0.70 3.86 0.00 -0.43 -2.29 119.26 120.88 1wku h ALA 110 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wku h ALA 110 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1wku h ALA 110 CO 0.01 -0.17 0.32 -0.07 0.00 0.00 0.00 179.25 179.34 1wku h LEU 111 N -0.18 0.91 -0.54 0.00 3.38 -0.62 -1.51 115.31 116.75 1wku h LEU 111 Ca 0.02 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 1wku h LEU 111 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1wku h LEU 111 CO 0.01 0.78 0.10 0.44 0.09 0.00 0.00 178.44 179.86 1wku h ASP 112 N 0.99 0.85 -0.37 -0.43 3.32 -0.72 -0.78 116.42 119.28 1wku h ASP 112 Ca 0.24 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1wku h ASP 112 Cb 0.13 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1wku h ASP 112 CO -0.03 0.88 0.21 0.15 -1.72 0.00 0.00 179.24 178.74 1wku h PHE 113 N 0.78 0.50 -0.69 4.55 3.57 -1.04 -1.39 116.94 123.22 1wku h PHE 113 Ca 0.17 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1wku h PHE 113 Cb 0.39 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1wku h PHE 113 CO 0.03 0.38 0.45 0.82 -2.23 0.00 0.00 178.31 177.76 1wku h ILE 114 N 0.48 1.15 -0.55 1.41 2.04 -1.09 -2.01 117.51 118.94 1wku h ILE 114 Ca 0.13 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1wku h ILE 114 Cb 0.04 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1wku h ILE 114 CO -0.02 0.16 0.30 0.00 0.00 0.00 0.00 178.15 178.59 1wku h ALA 115 N 1.27 1.50 0.00 1.87 0.00 -0.71 -1.62 119.26 121.57 1wku h ALA 115 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wku h ALA 115 Cb -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1wku h ALA 115 CO -0.08 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1wku n SER 116 N -4.40 0.05 -2.09 0.00 3.41 -0.56 -2.04 113.62 107.99 1wku n SER 116 Ca 0.05 0.52 -0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1wku n SER 116 Cb 0.09 -0.53 0.26 0.00 -0.26 0.00 0.00 64.21 63.78 1wku n SER 116 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wku n LYS 117 N -1.56 3.24 -0.98 4.33 4.76 -0.61 -4.88 118.16 122.46 1wku n LYS 117 Ca 0.03 -3.02 0.00 0.00 -2.87 0.00 0.00 58.31 52.44 1wku n LYS 117 Cb 0.13 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 1wku n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wku n GLY 118 N -0.46 0.86 3.64 0.72 0.00 -0.86 -4.99 105.19 104.10 1wku n GLY 118 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 1wku n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wku s VAL 119 N -3.50 4.29 -0.80 1.61 1.01 -1.22 -4.97 120.40 116.83 1wku s VAL 119 Ca 0.00 1.49 -0.20 0.00 0.00 0.00 0.00 61.98 63.27 1wku s VAL 119 Cb 0.00 -4.24 0.11 0.00 0.00 0.00 0.00 36.38 32.25 1wku s VAL 119 CO 0.00 -0.44 1.02 -0.75 0.00 0.00 0.00 175.10 174.93 1wku s LYS 120 N 3.90 3.37 0.12 2.72 2.20 -1.26 -4.22 119.74 126.56 1wku s LYS 120 Ca 0.52 -1.39 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 1wku s LYS 120 Cb -0.16 -4.60 -0.10 0.00 -1.51 0.00 0.00 37.83 31.47 1wku s LYS 120 CO 0.19 -1.76 1.67 -0.51 -0.36 0.00 0.00 175.35 174.58 1wku s LEU 121 N 3.16 4.37 -0.08 5.43 1.43 -1.26 -5.00 118.68 126.73 1wku s LEU 121 Ca 0.27 2.61 0.03 0.00 -1.03 0.00 0.00 54.13 56.01 1wku s LEU 121 Cb -0.11 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1wku s LEU 121 CO -0.01 -0.90 -0.18 -0.69 0.23 0.00 0.00 176.35 174.80 1wku s VAL 122 N 2.12 1.61 -1.51 -1.59 1.01 -1.26 -4.76 120.40 116.02 1wku s VAL 122 Ca 0.74 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1wku s VAL 122 Cb -0.43 -1.42 0.08 0.00 0.00 0.00 0.00 36.38 34.61 1wku s VAL 122 CO 0.33 0.46 0.90 -1.54 0.00 0.00 0.00 175.10 175.25 1wku n SER 123 N 3.69 -3.94 -3.69 3.32 3.41 -1.26 -4.97 113.62 110.18 1wku n SER 123 Ca -0.21 -0.82 -0.22 0.00 -0.26 0.00 0.00 58.87 57.36 1wku n SER 123 Cb 0.52 -3.77 -0.18 0.00 -0.26 0.00 0.00 64.21 60.53 1wku n SER 123 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wku s ILE 124 N -3.38 0.06 0.10 -1.33 1.01 -1.26 -4.96 121.20 111.43 1wku s ILE 124 Ca 0.55 0.16 0.04 0.00 0.00 0.00 0.00 60.65 61.40 1wku s ILE 124 Cb -0.28 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1wku s ILE 124 CO 0.84 0.08 -0.11 -0.83 0.00 0.00 0.00 174.94 174.92 1wku s GLY 125 N 2.09 0.87 0.26 6.18 0.00 -1.26 -5.04 107.32 110.42 1wku s GLY 125 Ca 0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 1wku s GLY 125 CO -0.05 -1.26 1.90 0.00 0.00 0.00 0.00 173.10 173.68 1wku h ALA 126 N 3.58 1.36 -0.13 3.20 0.00 -1.93 -2.96 119.26 122.39 1wku h ALA 126 Ca -0.38 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1wku h ALA 126 Cb 1.19 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1wku h ALA 126 CO 0.52 0.51 -0.28 0.93 0.00 0.00 0.00 179.25 180.94 1wku h GLU 127 N 1.24 -0.33 0.00 0.00 4.39 -1.97 0.13 114.58 118.04 1wku h GLU 127 Ca 0.42 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 60.07 1wku h GLU 127 Cb 0.07 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1wku h GLU 127 CO -0.15 -0.22 -0.30 0.93 -1.16 0.00 0.00 179.01 178.11 1wku h GLU 128 N -0.35 0.00 -0.16 2.33 5.08 -1.96 -1.49 114.58 118.03 1wku h GLU 128 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1wku h GLU 128 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wku h GLU 128 CO -0.33 0.30 -0.32 0.82 -1.00 0.00 0.00 179.01 178.49 1wku h ILE 129 N 0.00 1.35 -0.12 3.13 2.04 -1.27 -0.54 117.51 122.10 1wku h ILE 129 Ca -0.00 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 1wku h ILE 129 Cb 0.80 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1wku h ILE 129 CO 0.04 0.47 -0.12 0.58 0.00 0.00 0.00 178.15 179.12 1wku h VAL 130 N 0.13 1.16 0.00 1.67 2.07 -0.79 -1.54 116.25 118.95 1wku h VAL 130 Ca 0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1wku h VAL 130 Cb 0.91 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1wku h VAL 130 CO 0.07 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.35 1wku n ASP 131 N -4.30 0.00 0.00 0.57 8.00 -0.58 -4.82 116.55 115.42 1wku n ASP 131 Ca -0.01 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1wku n ASP 131 Cb 0.25 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1wku n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wku n GLY 132 N 1.30 0.76 3.60 0.44 0.00 -0.58 -4.99 105.19 105.72 1wku n GLY 132 Ca 0.09 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 1wku n GLY 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wku s ASN 133 N -2.74 5.61 0.13 1.61 3.84 -0.27 -4.87 114.94 118.25 1wku s ASN 133 Ca 0.00 1.53 -0.18 0.00 0.21 0.00 0.00 52.86 54.42 1wku s ASN 133 Cb 0.00 -2.52 -0.04 0.00 -0.55 0.00 0.00 41.25 38.14 1wku s ASN 133 CO 0.00 -1.90 1.76 0.25 -2.79 0.00 0.00 177.10 174.43 1wku h LEU 134 N 14.66 0.34 -0.32 3.21 5.85 -1.91 0.38 115.31 137.52 1wku h LEU 134 Ca -0.36 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1wku h LEU 134 Cb 1.20 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1wku h LEU 134 CO 1.01 0.28 0.13 0.50 -0.34 0.00 0.00 178.44 180.03 1wku h LYS 135 N 0.37 0.28 -0.29 1.25 3.64 -2.00 -0.21 116.57 119.61 1wku h LYS 135 Ca 0.10 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 1wku h LYS 135 Cb 0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1wku h LYS 135 CO -0.02 0.18 -0.27 1.98 -2.27 0.00 0.00 179.45 179.06 1wku h MET 136 N 0.29 0.58 -0.44 1.90 4.05 -1.90 -1.36 114.93 118.04 1wku h MET 136 Ca 0.14 -0.23 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 1wku h MET 136 Cb 0.08 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1wku h MET 136 CO -0.12 0.79 0.03 1.15 0.23 0.00 0.00 176.91 178.98 1wku h THR 137 N 0.50 1.26 -0.57 -0.77 2.02 -0.46 -0.13 112.91 114.76 1wku h THR 137 Ca 0.07 -0.99 -0.07 0.00 0.77 0.00 0.00 66.41 66.18 1wku h THR 137 Cb 0.72 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1wku h THR 137 CO 0.06 0.34 0.06 -0.07 0.37 0.00 0.00 175.52 176.27 1wku h LEU 138 N 0.61 0.89 -0.68 2.58 3.38 -0.91 -1.16 115.31 120.02 1wku h LEU 138 Ca 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1wku h LEU 138 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1wku h LEU 138 CO 0.02 0.92 0.27 1.23 0.09 0.00 0.00 178.44 180.97 1wku h GLY 139 N 1.01 1.10 0.89 0.83 0.00 -0.93 -0.38 103.07 105.59 1wku h GLY 139 Ca 0.17 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1wku h GLY 139 CO 0.02 0.57 0.08 1.98 0.00 0.00 0.00 176.54 179.19 1wku h MET 140 N 0.98 0.36 -0.52 4.80 1.85 -0.68 -1.83 114.93 119.89 1wku h MET 140 Ca 0.23 -0.07 -0.06 0.00 -0.61 0.00 0.00 59.70 59.19 1wku h MET 140 Cb 0.22 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.17 1wku h MET 140 CO -0.02 0.43 0.09 0.82 -0.40 0.00 0.00 176.91 177.83 1wku h ILE 141 N 0.21 1.23 -0.72 1.77 1.08 -1.02 -2.18 117.51 117.89 1wku h ILE 141 Ca 0.08 -0.88 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 1wku h ILE 141 Cb 0.22 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1wku h ILE 141 CO -0.00 0.32 0.36 -0.25 -0.69 0.00 0.00 178.15 177.89 1wku h TRP 142 N 0.78 1.01 -0.87 1.37 2.91 -0.88 -0.09 115.95 120.18 1wku h TRP 142 Ca 0.17 -0.04 0.07 0.00 1.13 0.00 0.00 58.89 60.21 1wku h TRP 142 Cb 0.35 -0.32 -0.06 0.00 -0.51 0.00 0.00 29.16 28.62 1wku h TRP 142 CO 0.02 0.74 0.57 1.15 -1.03 0.00 0.00 178.44 179.89 1wku h THR 143 N 0.99 1.05 -0.13 2.65 2.02 -0.76 0.12 112.91 118.85 1wku h THR 143 Ca 0.25 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1wku h THR 143 Cb 0.09 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1wku h THR 143 CO -0.03 0.18 -0.12 0.40 0.37 0.00 0.00 175.52 176.31 1wku h ILE 144 N 0.96 1.35 -0.20 3.11 2.04 -0.76 -1.58 117.51 122.44 1wku h ILE 144 Ca 0.38 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1wku h ILE 144 Cb 0.23 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1wku h ILE 144 CO -0.14 0.37 0.08 0.40 0.00 0.00 0.00 178.15 178.85 1wku h ILE 145 N -0.07 0.96 -0.03 -0.67 2.04 -0.45 -0.66 117.51 118.63 1wku h ILE 145 Ca 0.02 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1wku h ILE 145 Cb 0.64 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1wku h ILE 145 CO 0.03 0.03 -0.02 0.25 0.00 0.00 0.00 178.15 178.45 1wku h LEU 146 N 0.17 -0.05 -0.32 1.44 5.85 -0.80 0.19 115.31 121.79 1wku h LEU 146 Ca 0.08 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1wku h LEU 146 Cb 0.04 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1wku h LEU 146 CO -0.08 -0.02 0.10 -0.09 -0.34 0.00 0.00 178.44 178.01 1wku h ARG 147 N -0.02 0.49 0.00 1.25 9.65 -1.06 0.48 114.38 125.18 1wku h ARG 147 Ca 0.02 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1wku h ARG 147 Cb 0.04 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1wku h ARG 147 CO -0.04 0.54 -0.90 1.19 2.80 0.00 0.00 179.97 183.56 1wku n PHE 148 N -4.68 0.11 0.00 2.20 3.01 -0.27 -4.24 117.46 113.59 1wku n PHE 148 Ca -0.02 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1wku n PHE 148 Cb 0.17 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 1wku n PHE 148 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wku n ALA 149 N -1.65 1.64 0.00 4.37 0.00 0.05 -4.93 120.51 119.98 1wku n ALA 149 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1wku n ALA 149 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wku n ALA 149 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wku n ILE 150 N -1.01 0.00 -0.25 0.00 5.41 -0.99 -4.84 119.36 117.68 1wku n ILE 150 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 1wku n ILE 150 Cb 0.00 -0.56 0.16 0.00 -0.71 0.00 0.00 39.64 38.53 1wku n ILE 150 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1wku h GLN 151 N 0.00 0.13 0.00 0.38 4.15 -0.22 -1.67 115.11 117.89 1wku h GLN 151 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1wku h GLN 151 Cb 0.68 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.34 1wku h GLN 151 CO 0.00 0.09 0.00 -0.25 -1.93 0.00 0.00 178.83 176.74 1wku n ASP 152 N -5.29 0.00 -4.74 -0.69 8.00 -1.26 -3.19 116.55 109.37 1wku n ASP 152 Ca 0.13 -0.88 -0.41 0.00 0.71 0.00 0.00 54.79 54.33 1wku n ASP 152 Cb 0.45 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.50 1wku n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wku s ILE 153 N -2.06 2.86 -0.11 0.53 1.01 -0.63 -4.88 121.20 117.92 1wku s ILE 153 Ca 0.45 0.73 -0.04 0.00 0.00 0.00 0.00 60.65 61.78 1wku s ILE 153 Cb 0.21 -3.47 0.06 0.00 0.01 0.00 0.00 42.46 39.27 1wku s ILE 153 CO 0.37 0.12 0.23 -0.55 0.00 0.00 0.00 174.94 175.11 1wku s SER 154 N 0.26 0.35 -0.03 3.58 0.15 -1.26 -1.48 113.70 115.28 1wku s SER 154 Ca 0.57 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1wku s SER 154 Cb -0.40 0.53 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1wku s SER 154 CO 0.42 -0.23 0.04 0.54 1.20 0.00 0.00 173.24 175.21 1wku s VAL 155 N 2.18 -0.06 -1.33 4.45 0.11 0.14 -4.89 120.40 121.00 1wku s VAL 155 Ca -0.00 0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1wku s VAL 155 Cb -0.12 -0.11 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 1wku s VAL 155 CO -0.08 0.12 0.54 -0.62 -3.33 0.00 0.00 175.10 171.73 1wku n GLU 156 N 4.48 -3.00 -1.69 1.54 1.02 -1.26 -0.94 120.64 120.78 1wku n GLU 156 Ca -0.21 0.44 -0.20 0.00 -0.02 0.00 0.00 57.16 57.16 1wku n GLU 156 Cb 0.50 -4.50 -0.08 0.00 -0.02 0.00 0.00 31.44 27.35 1wku n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wku n GLU 157 N -4.34 -1.44 -4.46 3.49 1.02 -1.26 -4.96 120.64 108.68 1wku n GLU 157 Ca -0.26 1.19 -0.29 0.00 -0.02 0.00 0.00 57.16 57.78 1wku n GLU 157 Cb 0.66 -5.59 -0.17 0.00 -0.02 0.00 0.00 31.44 26.33 1wku n GLU 157 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wku s THR 158 N -2.79 1.53 0.45 2.62 2.01 -0.12 -5.10 115.64 114.25 1wku s THR 158 Ca 0.00 -0.66 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1wku s THR 158 Cb 0.00 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 1wku s THR 158 CO 0.00 0.45 0.18 -0.94 -0.69 0.00 0.00 174.62 173.62 1wku s SER 159 N 0.99 4.38 0.76 3.53 1.04 -1.26 -0.69 113.70 122.45 1wku s SER 159 Ca -0.06 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1wku s SER 159 Cb -0.15 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1wku s SER 159 CO -0.02 -0.69 0.00 0.00 0.98 0.00 0.00 173.24 173.51 1wku n ALA 160 N -1.33 0.00 -0.16 5.32 0.00 -0.55 -1.82 120.51 121.98 1wku n ALA 160 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1wku n ALA 160 Cb 0.65 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.13 1wku n ALA 160 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wku h LYS 161 N 0.00 -0.01 -0.10 0.00 3.64 -1.91 -0.06 116.57 118.13 1wku h LYS 161 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1wku h LYS 161 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1wku h LYS 161 CO 0.00 -0.01 -0.21 0.93 -2.27 0.00 0.00 179.45 177.89 1wku h GLU 162 N -0.01 0.16 -0.17 1.90 3.07 -1.89 -1.33 114.58 116.30 1wku h GLU 162 Ca 0.23 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 1wku h GLU 162 Cb 0.37 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1wku h GLU 162 CO -0.51 0.37 -0.62 0.78 -1.40 0.00 0.00 179.01 177.63 1wku h GLY 163 N 0.82 0.80 1.06 -3.84 0.00 -0.44 -1.57 103.07 99.90 1wku h GLY 163 Ca 0.03 -1.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.22 1wku h GLY 163 CO 0.03 0.95 0.20 -2.00 0.00 0.00 0.00 176.54 175.73 1wku h LEU 164 N 0.44 1.09 -0.28 3.11 5.85 -0.84 -1.24 115.31 123.44 1wku h LEU 164 Ca -0.03 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1wku h LEU 164 Cb 1.25 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1wku h LEU 164 CO 0.13 1.03 0.10 0.25 -0.34 0.00 0.00 178.44 179.62 1wku h LEU 165 N 1.10 0.39 -0.98 2.25 5.85 -1.18 -1.60 115.31 121.16 1wku h LEU 165 Ca 0.23 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1wku h LEU 165 Cb 0.35 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1wku h LEU 165 CO -0.00 0.47 0.58 0.25 -0.34 0.00 0.00 178.44 179.39 1wku h LEU 166 N 0.30 1.13 -0.44 2.25 5.85 -1.09 -0.61 115.31 122.71 1wku h LEU 166 Ca 0.09 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1wku h LEU 166 Cb 0.20 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1wku h LEU 166 CO -0.01 0.86 0.25 -0.25 -0.34 0.00 0.00 178.44 178.96 1wku h TRP 167 N 1.31 0.47 -0.83 1.25 7.01 -0.94 0.51 115.95 124.73 1wku h TRP 167 Ca 0.34 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.36 1wku h TRP 167 Cb -0.07 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 1wku h TRP 167 CO 0.00 0.27 0.51 0.00 -2.79 0.00 0.00 178.44 176.43 1wku h GLN 169 N 1.14 0.94 -0.54 0.00 4.20 -0.48 -1.73 115.11 118.65 1wku h GLN 169 Ca 0.30 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1wku h GLN 169 Cb -0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1wku h GLN 169 CO -0.06 0.96 0.05 0.00 -0.67 0.00 0.00 178.83 179.11 1wku h ARG 170 N 0.82 0.91 0.00 1.46 2.47 -0.59 -1.68 114.38 117.76 1wku h ARG 170 Ca 0.15 -0.26 -0.13 0.00 -1.26 0.00 0.00 59.98 58.48 1wku h ARG 170 Cb 0.53 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1wku h ARG 170 CO 0.03 0.90 -0.60 0.87 0.56 0.00 0.00 179.97 181.73 1wku h LYS 171 N 0.79 0.00 -0.11 0.04 1.79 -1.15 -3.16 116.57 114.77 1wku h LYS 171 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1wku h LYS 171 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1wku h LYS 171 CO 0.02 0.60 0.00 0.25 -1.08 0.00 0.00 179.45 179.24 1wku n THR 172 N -3.81 0.12 -0.31 -0.16 -2.24 -0.66 -4.53 114.28 102.69 1wku n THR 172 Ca -0.01 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1wku n THR 172 Cb 0.60 1.14 0.26 0.00 -2.10 0.00 0.00 70.33 70.23 1wku n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wku h ALA 173 N 4.56 1.37 0.00 6.98 0.00 -1.27 -1.83 119.26 129.08 1wku h ALA 173 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wku h ALA 173 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1wku h ALA 173 CO 0.00 -0.13 0.00 -0.35 0.00 0.00 0.00 179.25 178.77 1wku n PRO 174 N -4.89 0.16 -3.42 0.00 -0.04 -1.26 -4.59 135.00 120.96 1wku n PRO 174 Ca 0.19 0.17 -0.43 0.00 -0.04 0.00 0.00 63.50 63.38 1wku n PRO 174 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 1wku n PRO 174 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wku s TYR 175 N -2.70 3.23 0.52 0.54 1.51 -0.69 -4.96 117.35 114.80 1wku s TYR 175 Ca 0.13 -0.66 0.20 0.00 -1.01 0.00 0.00 57.07 55.73 1wku s TYR 175 Cb 0.10 -2.80 1.38 0.00 -0.11 0.00 0.00 41.96 40.54 1wku s TYR 175 CO 0.25 -0.67 2.14 0.00 -1.11 0.00 0.00 175.55 176.17 1wku h ARG 176 N 8.68 0.00 -0.63 -0.62 2.47 -1.86 -2.30 114.38 120.12 1wku h ARG 176 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1wku h ARG 176 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1wku h ARG 176 CO 0.78 0.04 0.00 0.27 0.56 0.00 0.00 179.97 181.62 1wku n ASN 177 N -4.26 2.90 -4.22 7.04 0.23 -1.26 -4.83 115.26 110.86 1wku n ASN 177 Ca -0.03 -2.29 -0.25 0.00 -0.53 0.00 0.00 54.58 51.47 1wku n ASN 177 Cb 0.13 -0.47 -0.15 0.00 -2.08 0.00 0.00 39.78 37.22 1wku n ASN 177 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1wku s VAL 178 N -1.75 1.58 -0.43 3.53 1.01 -0.87 -4.89 120.40 118.59 1wku s VAL 178 Ca 0.27 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1wku s VAL 178 Cb 0.18 -1.36 0.17 0.00 0.00 0.00 0.00 36.38 35.38 1wku s VAL 178 CO 0.12 0.28 0.52 0.21 0.00 0.00 0.00 175.10 176.23 1wku s ASN 179 N -0.90 -0.06 -0.15 3.32 2.47 -1.26 -4.90 114.94 113.47 1wku s ASN 179 Ca 0.07 -1.81 -0.29 0.00 0.42 0.00 0.00 52.86 51.24 1wku s ASN 179 Cb -0.08 1.01 -0.02 0.00 -1.45 0.00 0.00 41.25 40.71 1wku s ASN 179 CO 0.01 -0.16 1.22 -0.69 -3.72 0.00 0.00 177.10 173.76 1wku s VAL 180 N 1.03 4.33 0.00 -5.21 1.01 -1.26 -4.82 120.40 115.49 1wku s VAL 180 Ca 0.24 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.84 1wku s VAL 180 Cb -0.05 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1wku s VAL 180 CO -0.07 -0.11 0.10 0.00 0.00 0.00 0.00 175.10 175.02 1wku n GLN 181 N 6.21 0.15 -3.53 2.72 1.13 -1.26 -4.85 117.38 117.95 1wku n GLN 181 Ca 0.13 -0.10 -0.03 0.00 -1.94 0.00 0.00 57.00 55.06 1wku n GLN 181 Cb 0.45 -0.52 0.02 0.00 0.11 0.00 0.00 30.24 30.30 1wku n GLN 181 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1wku n ASN 182 N -0.05 -1.51 -1.91 1.08 0.23 -1.26 -5.04 115.26 106.79 1wku n ASN 182 Ca 0.00 -1.80 -0.22 0.00 -0.53 0.00 0.00 54.58 52.03 1wku n ASN 182 Cb 0.15 2.46 0.11 0.00 -2.08 0.00 0.00 39.78 40.42 1wku n ASN 182 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1wku n PHE 183 N -0.62 2.49 0.00 -2.53 0.99 -1.26 -4.58 117.46 111.94 1wku n PHE 183 Ca -0.02 -2.27 0.00 0.00 -0.00 0.00 0.00 57.45 55.16 1wku n PHE 183 Cb 0.50 -0.83 0.00 0.00 -1.00 0.00 0.00 39.48 38.15 1wku n PHE 183 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 1wku n HIS 184 N -0.95 0.00 0.03 1.38 1.44 -1.26 -4.08 115.22 111.77 1wku n HIS 184 Ca 0.49 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 56.38 1wku n HIS 184 Cb 0.98 0.00 0.67 0.00 0.12 0.00 0.00 29.99 31.75 1wku n HIS 184 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 1wku h THR 185 N 0.00 0.79 0.00 0.61 1.35 -1.86 -1.38 112.91 112.42 1wku h THR 185 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1wku h THR 185 Cb 0.00 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1wku h THR 185 CO 0.00 0.01 0.00 -1.20 -0.25 0.00 0.00 175.52 174.08 1wku n SER 186 N -4.41 0.63 -0.53 5.36 7.64 -1.26 -2.48 113.62 118.57 1wku n SER 186 Ca 0.08 0.71 0.08 0.00 1.01 0.00 0.00 58.87 60.75 1wku n SER 186 Cb 0.51 -0.82 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1wku n SER 186 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wku n TRP 187 N -2.25 0.00 0.11 1.43 7.02 -0.52 -4.63 117.44 118.60 1wku n TRP 187 Ca 0.01 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.54 1wku n TRP 187 Cb 0.14 0.00 0.50 0.00 -2.42 0.00 0.00 31.31 29.53 1wku n TRP 187 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1wku h LYS 188 N 2.58 0.30 -0.22 -0.99 1.57 -1.54 -2.87 116.57 115.40 1wku h LYS 188 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1wku h LYS 188 Cb 0.61 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1wku h LYS 188 CO 0.00 0.23 0.00 -0.40 -0.57 0.00 0.00 179.45 178.71 1wku n ASP 189 N -4.48 2.15 0.00 0.86 5.68 -1.26 -4.47 116.55 115.04 1wku n ASP 189 Ca 0.00 -1.79 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1wku n ASP 189 Cb 0.09 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1wku n ASP 189 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wku n GLY 190 N 1.23 2.44 0.31 6.12 0.00 -1.09 -4.34 105.19 109.86 1wku n GLY 190 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1wku n GLY 190 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wku h LEU 191 N 0.00 1.00 -0.61 0.99 3.38 -1.90 -1.81 115.31 116.37 1wku h LEU 191 Ca 0.00 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1wku h LEU 191 Cb 0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1wku h LEU 191 CO 0.00 1.03 0.34 0.00 0.09 0.00 0.00 178.44 179.90 1wku h ALA 192 N 1.08 0.80 -0.32 1.53 0.00 -1.89 0.30 119.26 120.75 1wku h ALA 192 Ca 0.18 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1wku h ALA 192 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wku h ALA 192 CO 0.02 0.04 -0.34 1.25 0.00 0.00 0.00 179.25 180.22 1wku h LEU 193 N 0.66 0.86 -0.92 0.00 5.85 -1.87 -0.93 115.31 118.96 1wku h LEU 193 Ca 0.26 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1wku h LEU 193 Cb 0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1wku h LEU 193 CO -0.15 1.16 0.24 0.00 -0.34 0.00 0.00 178.44 179.35 1wku h ALA 195 N 1.26 0.74 -0.86 0.00 0.00 -0.30 0.35 119.26 120.46 1wku h ALA 195 Ca 0.23 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1wku h ALA 195 Cb 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1wku h ALA 195 CO -0.01 0.67 0.54 1.25 0.00 0.00 0.00 179.25 181.70 1wku h LEU 196 N 0.86 1.01 -0.07 0.00 5.85 -0.79 0.63 115.31 122.80 1wku h LEU 196 Ca 0.12 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1wku h LEU 196 Cb 0.75 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1wku h LEU 196 CO 0.06 0.76 -0.12 0.40 -0.34 0.00 0.00 178.44 179.19 1wku h ILE 197 N 1.17 1.40 -0.65 4.05 2.04 -1.18 -3.22 117.51 121.12 1wku h ILE 197 Ca 0.31 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.84 1wku h ILE 197 Cb -0.09 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1wku h ILE 197 CO -0.06 0.39 0.43 -0.74 0.00 0.00 0.00 178.15 178.16 1wku h HIS 198 N -0.26 0.65 -0.50 1.37 2.76 -0.63 0.22 115.15 118.76 1wku h HIS 198 Ca 0.01 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1wku h HIS 198 Cb 0.69 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1wku h HIS 198 CO 0.11 0.35 0.31 -0.09 -1.30 0.00 0.00 177.93 177.31 1wku h ARG 199 N 0.65 0.67 0.01 5.26 9.65 -0.88 -2.40 114.38 127.33 1wku h ARG 199 Ca 0.28 -0.05 -0.37 0.00 -1.10 0.00 0.00 59.98 58.75 1wku h ARG 199 Cb 0.27 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 1wku h ARG 199 CO -0.09 0.46 -2.29 0.72 2.80 0.00 0.00 179.97 181.57 1wku n HIS 200 N -4.44 0.23 -3.31 2.20 8.25 -0.71 -4.76 115.22 112.68 1wku n HIS 200 Ca 0.04 0.07 -0.25 0.00 -0.26 0.00 0.00 57.72 57.32 1wku n HIS 200 Cb 0.07 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.06 1wku n HIS 200 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wku n ARG 201 N -3.00 0.85 -0.01 -0.41 5.12 0.71 -4.98 116.66 114.93 1wku n ARG 201 Ca -0.35 -3.45 0.16 0.00 -1.93 0.00 0.00 57.85 52.28 1wku n ARG 201 Cb 1.09 -1.52 0.61 0.00 -1.16 0.00 0.00 32.46 31.48 1wku n ARG 201 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1wku h PRO 202 N 4.54 0.16 0.00 5.56 0.13 -1.62 -1.52 132.00 139.25 1wku h PRO 202 Ca 0.14 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1wku h PRO 202 Cb 0.86 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1wku h PRO 202 CO 0.49 0.11 -0.03 -0.44 -0.23 0.00 0.00 178.00 177.90 1wku h ASP 203 N 0.17 0.00 1.44 1.44 3.32 -1.94 -2.95 116.42 117.91 1wku h ASP 203 Ca 0.24 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1wku h ASP 203 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1wku h ASP 203 CO -0.04 0.03 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.06 1wku h LEU 204 N 0.00 0.00 -7.70 1.55 3.38 -1.66 -3.45 115.31 107.43 1wku h LEU 204 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1wku h LEU 204 Cb 0.31 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.74 1wku h LEU 204 CO 0.00 0.39 -0.75 -0.63 0.09 0.00 0.00 178.44 177.54 1wku s ILE 205 N -3.13 0.23 -1.24 1.22 1.01 -1.11 -5.01 121.20 113.17 1wku s ILE 205 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 1wku s ILE 205 Cb 0.08 -0.28 0.16 0.00 0.01 0.00 0.00 42.46 42.43 1wku s ILE 205 CO 0.72 0.12 1.57 -0.67 0.00 0.00 0.00 174.94 176.68 1wku n ASP 206 N 3.71 5.14 -0.30 3.58 -0.08 -1.26 -4.83 116.55 122.50 1wku n ASP 206 Ca -0.22 -2.99 0.11 0.00 -1.51 0.00 0.00 54.79 50.18 1wku n ASP 206 Cb 0.53 -1.57 0.34 0.00 2.34 0.00 0.00 41.12 42.76 1wku n ASP 206 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1wku h TYR 207 N 6.89 0.93 -0.17 -0.67 3.20 -1.95 -2.20 116.97 122.99 1wku h TYR 207 Ca 0.35 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.30 1wku h TYR 207 Cb 0.82 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1wku h TYR 207 CO 1.17 0.33 0.17 0.00 -1.64 0.00 0.00 178.16 178.19 1wku h ALA 208 N 1.59 1.84 -0.06 1.82 0.00 -2.02 -1.59 119.26 120.85 1wku h ALA 208 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1wku h ALA 208 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wku h ALA 208 CO -0.24 -0.25 0.00 1.63 0.00 0.00 0.00 179.25 180.39 1wku n LYS 209 N -3.93 1.78 -2.86 0.00 5.02 -0.83 -4.90 118.16 112.44 1wku n LYS 209 Ca 0.01 -1.14 -0.41 0.00 -2.02 0.00 0.00 58.31 54.76 1wku n LYS 209 Cb 0.29 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 1wku n LYS 209 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wku s LEU 210 N -1.89 4.46 -0.07 -0.35 1.43 -0.60 -5.05 118.68 116.60 1wku s LEU 210 Ca 0.36 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 1wku s LEU 210 Cb 0.20 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1wku s LEU 210 CO 0.32 -0.05 -0.10 -0.13 0.23 0.00 0.00 176.35 176.62 1wku s ARG 211 N 0.09 2.77 0.54 1.70 0.52 -1.26 -5.00 118.95 118.30 1wku s ARG 211 Ca 0.43 -0.61 0.28 0.00 -0.52 0.00 0.00 55.73 55.31 1wku s ARG 211 Cb -0.22 -2.53 1.53 0.00 0.52 0.00 0.00 34.95 34.25 1wku s ARG 211 CO 0.26 0.58 2.11 -0.22 0.02 0.00 0.00 175.30 178.05 1wku h LYS 212 N 5.50 0.00 -0.27 3.54 3.64 -1.97 -2.32 116.57 124.69 1wku h LYS 212 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1wku h LYS 212 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1wku h LYS 212 CO 0.52 0.09 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 1wku n ASP 213 N -3.67 1.31 -3.07 4.20 5.68 -1.26 -4.05 116.55 115.68 1wku n ASP 213 Ca -0.02 -2.02 -0.23 0.00 -0.50 0.00 0.00 54.79 52.02 1wku n ASP 213 Cb 0.21 -0.18 -0.04 0.00 -1.14 0.00 0.00 41.12 39.97 1wku n ASP 213 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1wku n ASP 214 N 0.17 2.88 -0.30 -1.12 2.03 -0.87 -4.95 116.55 114.39 1wku n ASP 214 Ca 0.08 -3.38 0.03 0.00 0.52 0.00 0.00 54.79 52.04 1wku n ASP 214 Cb 0.22 -0.59 0.17 0.00 -0.72 0.00 0.00 41.12 40.19 1wku n ASP 214 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wku h PRO 215 N 3.09 0.82 -0.37 -0.67 0.13 -1.76 -0.91 132.00 132.33 1wku h PRO 215 Ca 0.12 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1wku h PRO 215 Cb 0.70 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1wku h PRO 215 CO 0.68 0.54 0.14 0.82 -0.23 0.00 0.00 178.00 179.95 1wku h ILE 216 N 0.84 1.20 -0.63 -3.56 1.08 -1.89 -1.34 117.51 113.20 1wku h ILE 216 Ca 0.40 -0.61 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 1wku h ILE 216 Cb 0.33 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 1wku h ILE 216 CO -0.23 0.22 0.28 1.23 -0.69 0.00 0.00 178.15 178.95 1wku h GLY 217 N 0.44 1.00 0.89 5.37 0.00 -1.83 -1.17 103.07 107.78 1wku h GLY 217 Ca 0.12 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1wku h GLY 217 CO -0.01 0.49 0.09 3.43 0.00 0.00 0.00 176.54 180.54 1wku h ASN 218 N 0.88 0.34 0.02 0.19 2.35 -1.03 -1.42 115.58 116.91 1wku h ASN 218 Ca 0.21 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1wku h ASN 218 Cb 0.16 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1wku h ASN 218 CO -0.02 0.43 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.11 1wku h LEU 219 N 0.23 -0.02 -1.51 1.61 3.38 -1.11 -1.75 115.31 116.14 1wku h LEU 219 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1wku h LEU 219 Cb 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1wku h LEU 219 CO -0.00 0.02 0.01 0.78 0.09 0.00 0.00 178.44 179.34 1wku h ASN 220 N -0.06 0.29 -0.14 -0.43 2.35 -1.16 0.93 115.58 117.35 1wku h ASN 220 Ca -0.00 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1wku h ASN 220 Cb 0.05 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1wku h ASN 220 CO 0.00 0.34 0.05 0.74 -1.65 0.00 0.00 177.43 176.91 1wku h THR 221 N 0.32 1.17 -0.30 2.81 2.02 -0.92 0.12 112.91 118.13 1wku h THR 221 Ca 0.07 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1wku h THR 221 Cb 0.20 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1wku h THR 221 CO 0.00 0.16 0.16 0.00 0.37 0.00 0.00 175.52 176.21 1wku h ALA 222 N 0.88 0.39 -0.37 6.16 0.00 -0.70 -1.08 119.26 124.54 1wku h ALA 222 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wku h ALA 222 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wku h ALA 222 CO -0.00 -0.07 0.24 0.74 0.00 0.00 0.00 179.25 180.16 1wku h PHE 223 N 0.37 0.44 -0.45 0.00 0.04 -0.70 -1.00 116.94 115.64 1wku h PHE 223 Ca 0.11 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 1wku h PHE 223 Cb 0.08 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1wku h PHE 223 CO -0.03 0.27 -0.10 0.93 -0.60 0.00 0.00 178.31 178.79 1wku h GLU 224 N 0.48 0.86 -0.43 1.51 5.08 -0.87 -1.17 114.58 120.04 1wku h GLU 224 Ca 0.14 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1wku h GLU 224 Cb -0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1wku h GLU 224 CO -0.04 0.96 0.16 0.28 -1.00 0.00 0.00 179.01 179.37 1wku h VAL 225 N 0.70 1.21 -0.52 3.13 2.07 -1.06 -0.22 116.25 121.56 1wku h VAL 225 Ca 0.12 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1wku h VAL 225 Cb 0.64 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1wku h VAL 225 CO 0.04 0.24 0.25 0.00 0.02 0.00 0.00 177.57 178.12 1wku h ALA 226 N 1.01 0.67 -0.22 1.67 0.00 -1.12 0.10 119.26 121.36 1wku h ALA 226 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1wku h ALA 226 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wku h ALA 226 CO -0.01 0.22 0.07 1.49 0.00 0.00 0.00 179.25 181.02 1wku h GLU 227 N 0.69 0.35 0.02 0.00 4.81 -0.98 -1.18 114.58 118.28 1wku h GLU 227 Ca 0.18 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1wku h GLU 227 Cb 0.11 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1wku h GLU 227 CO -0.02 0.44 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.47 1wku h LYS 228 N 0.19 -0.02 0.00 1.92 3.64 -0.91 -3.20 116.57 118.19 1wku h LYS 228 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1wku h LYS 228 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1wku h LYS 228 CO -0.00 0.65 -1.68 0.66 -2.27 0.00 0.00 179.45 176.81 1wku n TYR 229 N -4.77 0.07 0.38 1.91 4.02 0.34 -4.40 117.16 114.70 1wku n TYR 229 Ca -0.09 0.02 0.04 0.00 -0.01 0.00 0.00 57.90 57.87 1wku n TYR 229 Cb 0.33 -0.42 0.01 0.00 -0.02 0.00 0.00 39.34 39.24 1wku n TYR 229 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1wku n LEU 230 N -2.11 1.29 -3.86 7.72 4.77 -0.69 -5.00 117.00 119.12 1wku n LEU 230 Ca -0.02 -0.83 -0.28 0.00 -0.03 0.00 0.00 56.01 54.85 1wku n LEU 230 Cb 0.51 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1wku n LEU 230 CO 0.45 0.26 0.08 -0.67 -1.33 0.00 0.00 177.39 176.18 1wku n ASP 231 N -0.06 -4.22 -4.23 -1.43 2.03 -0.55 -4.97 116.55 103.13 1wku n ASP 231 Ca 0.04 -0.78 -0.38 0.00 0.52 0.00 0.00 54.79 54.19 1wku n ASP 231 Cb 0.19 -3.96 -0.11 0.00 -0.72 0.00 0.00 41.12 36.51 1wku n ASP 231 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wku s ILE 232 N -3.37 3.75 0.75 5.18 1.01 -0.59 -4.98 121.20 122.95 1wku s ILE 232 Ca 0.54 -1.44 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1wku s ILE 232 Cb -0.27 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1wku s ILE 232 CO 0.82 -0.39 0.84 -2.65 0.00 0.00 0.00 174.94 173.57 1wku n PRO 233 N 4.78 0.34 -2.10 2.79 -0.02 -1.26 -2.67 135.00 136.87 1wku n PRO 233 Ca -0.10 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 1wku n PRO 233 Cb 0.43 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 1wku n PRO 233 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1wku s LYS 234 N -3.31 4.29 0.00 -0.52 1.02 -1.26 -4.88 119.74 115.08 1wku s LYS 234 Ca 0.70 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.86 1wku s LYS 234 Cb -0.33 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 1wku s LYS 234 CO 0.54 -0.47 0.00 -1.33 -0.92 0.00 0.00 175.35 173.17 1wku n MET 235 N 3.74 2.66 -4.39 1.68 2.81 -1.26 -4.89 117.12 117.47 1wku n MET 235 Ca 0.11 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.71 1wku n MET 235 Cb 0.41 -0.73 -0.12 0.00 -0.71 0.00 0.00 33.22 32.08 1wku n MET 235 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wku s LEU 236 N -2.08 2.70 -0.26 4.03 1.43 -1.26 -3.49 118.68 119.74 1wku s LEU 236 Ca 0.00 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1wku s LEU 236 Cb 0.00 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1wku s LEU 236 CO 0.00 0.20 0.16 -0.62 0.23 0.00 0.00 176.35 176.32 1wku s ASP 237 N -1.96 5.95 0.22 2.29 -1.08 -1.26 -5.00 116.67 115.83 1wku s ASP 237 Ca 0.17 0.02 -0.07 0.00 -0.52 0.00 0.00 52.55 52.15 1wku s ASP 237 Cb -0.11 -2.09 0.33 0.00 -1.46 0.00 0.00 42.92 39.60 1wku s ASP 237 CO 0.09 0.00 1.76 0.00 0.52 0.00 0.00 175.17 177.54 1wku h ALA 238 N 7.97 0.93 -0.27 3.66 0.00 -1.96 -1.96 119.26 127.63 1wku h ALA 238 Ca -0.36 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1wku h ALA 238 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1wku h ALA 238 CO 0.60 -0.12 0.14 0.93 0.00 0.00 0.00 179.25 180.80 1wku h GLU 239 N 0.52 0.28 -0.91 0.00 3.07 -1.96 -1.55 114.58 114.03 1wku h GLU 239 Ca 0.34 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1wku h GLU 239 Cb 0.41 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 1wku h GLU 239 CO -0.30 0.19 0.52 -0.44 -1.40 0.00 0.00 179.01 177.58 1wku h ASP 240 N 0.29 1.12 -0.31 1.42 3.32 -1.87 -0.06 116.42 120.33 1wku h ASP 240 Ca 0.11 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1wku h ASP 240 Cb 0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1wku h ASP 240 CO -0.07 0.88 0.04 0.40 -1.72 0.00 0.00 179.24 178.77 1wku h ILE 241 N 1.27 1.24 -0.27 0.35 1.08 -1.07 -1.99 117.51 118.12 1wku h ILE 241 Ca 0.32 -0.85 -0.15 0.00 -0.39 0.00 0.00 64.86 63.79 1wku h ILE 241 Cb -0.01 1.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1wku h ILE 241 CO -0.06 0.28 -0.43 0.58 -0.69 0.00 0.00 178.15 177.83 1wku h VAL 242 N 0.35 1.30 0.00 1.67 2.07 -1.07 -3.34 116.25 117.23 1wku h VAL 242 Ca 0.09 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1wku h VAL 242 Cb 0.37 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1wku h VAL 242 CO 0.01 0.52 -0.51 0.59 0.02 0.00 0.00 177.57 178.20 1wku n ASN 243 N -4.14 0.51 -4.64 0.57 3.02 -0.06 -4.81 115.26 105.72 1wku n ASN 243 Ca -0.05 -0.12 -0.40 0.00 -0.03 0.00 0.00 54.58 53.98 1wku n ASN 243 Cb 0.56 0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.87 1wku n ASN 243 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wku s THR 244 N -3.04 4.99 0.19 3.41 2.01 -0.75 -4.97 115.64 117.48 1wku s THR 244 Ca 0.10 1.18 -0.23 0.00 0.31 0.00 0.00 61.69 63.05 1wku s THR 244 Cb 0.17 -3.95 0.10 0.00 0.01 0.00 0.00 72.50 68.83 1wku s THR 244 CO 0.70 0.05 1.56 -0.65 -0.69 0.00 0.00 174.62 175.59 1wku h PRO 245 N 7.74 -0.10 -3.54 4.92 0.11 -1.89 -3.29 132.00 135.95 1wku h PRO 245 Ca -0.28 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.23 1wku h PRO 245 Cb 1.13 0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.86 1wku h PRO 245 CO 0.78 -0.07 -0.74 0.21 -0.21 0.00 0.00 178.00 177.97 1wku s LYS 246 N -5.84 1.09 0.74 1.05 2.20 -1.26 -4.78 119.74 112.93 1wku s LYS 246 Ca -0.14 -1.59 -0.15 0.00 -0.36 0.00 0.00 55.97 53.73 1wku s LYS 246 Cb 0.16 -2.36 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 1wku s LYS 246 CO 0.68 -1.04 1.05 -0.35 -0.36 0.00 0.00 175.35 175.32 1wku n PRO 247 N 4.23 0.49 -1.75 4.03 -0.04 -1.24 -4.86 135.00 135.85 1wku n PRO 247 Ca 0.03 0.23 -0.42 0.00 -0.04 0.00 0.00 63.50 63.30 1wku n PRO 247 Cb 0.39 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1wku n PRO 247 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wku s ASP 248 N -1.73 6.49 0.35 3.54 -1.08 -1.26 -4.69 116.67 118.29 1wku s ASP 248 Ca 0.74 2.62 0.17 0.00 -0.52 0.00 0.00 52.55 55.56 1wku s ASP 248 Cb -0.33 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.17 1wku s ASP 248 CO 0.50 -1.01 1.69 1.05 0.52 0.00 0.00 175.17 177.92 1wku h GLU 249 N 9.72 0.00 -0.47 4.34 4.11 -1.89 -2.54 114.58 127.84 1wku h GLU 249 Ca -0.47 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 58.83 1wku h GLU 249 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1wku h GLU 249 CO 0.94 0.42 -0.21 0.87 0.07 0.00 0.00 179.01 181.10 1wku h LYS 250 N 0.00 0.98 -0.37 1.06 1.57 -1.90 0.13 116.57 118.04 1wku h LYS 250 Ca -0.00 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1wku h LYS 250 Cb 0.97 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1wku h LYS 250 CO 0.05 1.09 0.09 0.00 -0.57 0.00 0.00 179.45 180.11 1wku h ALA 251 N 0.86 0.49 -0.52 3.86 0.00 -1.89 -0.87 119.26 121.18 1wku h ALA 251 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wku h ALA 251 Cb 0.79 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1wku h ALA 251 CO 0.07 0.16 0.18 0.82 0.00 0.00 0.00 179.25 180.47 1wku h ILE 252 N 0.45 1.23 -0.88 0.00 2.04 -1.27 -2.21 117.51 116.87 1wku h ILE 252 Ca 0.12 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1wku h ILE 252 Cb 0.31 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 1wku h ILE 252 CO 0.00 0.28 0.55 0.24 0.00 0.00 0.00 178.15 179.21 1wku h MET 253 N 0.71 1.18 0.02 2.37 2.86 -0.59 0.14 114.93 121.62 1wku h MET 253 Ca 0.17 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1wku h MET 253 Cb 0.25 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1wku h MET 253 CO -0.01 0.81 -0.04 1.15 1.06 0.00 0.00 176.91 179.88 1wku h THR 254 N 1.20 0.91 -0.05 2.22 2.02 -0.77 0.33 112.91 118.76 1wku h THR 254 Ca 0.32 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.49 1wku h THR 254 Cb -0.08 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1wku h THR 254 CO -0.06 0.00 0.01 0.22 0.37 0.00 0.00 175.52 176.06 1wku h TYR 255 N -0.08 0.09 -0.50 3.16 3.20 -1.03 -2.94 116.97 118.86 1wku h TYR 255 Ca 0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1wku h TYR 255 Cb 0.09 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1wku h TYR 255 CO -0.10 0.28 0.33 0.28 -1.64 0.00 0.00 178.16 177.31 1wku h VAL 256 N -0.13 1.11 0.00 1.81 2.07 -0.89 -1.29 116.25 118.94 1wku h VAL 256 Ca 0.02 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1wku h VAL 256 Cb 0.23 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1wku h VAL 256 CO -0.00 0.12 -0.01 0.77 0.02 0.00 0.00 177.57 178.47 1wku h SER 257 N 0.66 0.00 -0.04 0.57 4.64 -0.74 -0.40 113.55 118.24 1wku h SER 257 Ca 0.19 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1wku h SER 257 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1wku h SER 257 CO -0.04 0.01 -0.27 0.00 -0.87 0.00 0.00 176.83 175.65 1wku h PHE 259 N 0.42 0.78 -0.07 0.00 -1.00 -1.13 -1.38 116.94 114.56 1wku h PHE 259 Ca 0.06 -0.31 0.01 0.00 2.81 0.00 0.00 57.97 60.54 1wku h PHE 259 Cb 0.70 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 1wku h PHE 259 CO 0.02 1.08 0.01 -0.92 -1.61 0.00 0.00 178.31 176.89 1wku h TYR 260 N 0.44 0.01 -0.11 -0.55 3.20 -1.12 -1.12 116.97 117.72 1wku h TYR 260 Ca -0.01 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1wku h TYR 260 Cb 1.21 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 1wku h TYR 260 CO 0.06 0.00 -0.43 0.45 -1.64 0.00 0.00 178.16 176.60 1wku h HIS 261 N 0.03 0.31 -0.56 -3.82 3.86 -1.36 -0.00 115.15 113.60 1wku h HIS 261 Ca 0.03 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.04 1wku h HIS 261 Cb 0.03 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1wku h HIS 261 CO -0.11 0.65 -0.09 0.00 0.86 0.00 0.00 177.93 179.25 1wku h ALA 262 N 1.34 0.77 0.00 2.45 0.00 -0.98 -2.22 119.26 120.61 1wku h ALA 262 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wku h ALA 262 Cb 0.85 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wku h ALA 262 CO 0.07 0.68 -0.51 1.19 0.00 0.00 0.00 179.25 180.68 1wku n PHE 263 N -4.15 0.62 -0.04 0.00 0.99 -0.45 -3.02 117.46 111.40 1wku n PHE 263 Ca 0.02 0.18 -0.15 0.00 -0.00 0.00 0.00 57.45 57.50 1wku n PHE 263 Cb 0.40 -0.70 -0.13 0.00 -1.00 0.00 0.00 39.48 38.04 1wku n PHE 263 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1wku h ALA 264 N 2.52 -0.01 -0.67 4.37 0.00 -0.87 -2.88 119.26 121.72 1wku h ALA 264 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1wku h ALA 264 Cb 0.74 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1wku h ALA 264 CO 0.00 0.06 0.21 0.78 0.00 0.00 0.00 179.25 180.30 1wku h GLY 265 N -0.83 1.09 1.75 0.00 0.00 -1.53 -0.87 103.07 102.69 1wku h GLY 265 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1wku h GLY 265 CO 0.03 0.58 0.00 0.00 0.00 0.00 0.00 176.54 177.15 1wku n ALA 266 N -2.45 2.01 -0.10 3.60 0.00 -1.17 -3.18 120.51 119.22 1wku n ALA 266 Ca 0.05 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 1wku n ALA 266 Cb 0.21 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 1wku n ALA 266 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wku n GLU 267 N -1.38 0.58 0.00 0.00 2.13 -0.41 -5.06 120.64 116.50 1wku n GLU 267 Ca 0.08 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.43 1wku n GLU 267 Cb 0.19 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1wku n GLU 267 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76