#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujk h PRO 3 N 0.00 0.00 0.00 5.31 0.13 -2.01 0.17 132.00 135.59 1ujk h PRO 3 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ujk h PRO 3 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ujk h PRO 3 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1ujk h ALA 4 N 1.91 1.00 -0.00 -0.56 0.00 -1.96 -1.22 119.26 118.43 1ujk h ALA 4 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ujk h ALA 4 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ujk h ALA 4 CO -0.00 0.00 -0.13 -1.33 0.00 0.00 0.00 179.25 177.79 1ujk n MET 5 N -2.68 0.41 -3.66 0.00 2.81 0.59 -4.49 117.12 110.11 1ujk n MET 5 Ca -0.00 -0.12 -0.39 0.00 -1.81 0.00 0.00 57.70 55.38 1ujk n MET 5 Cb 0.18 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 1ujk n MET 5 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ujk s GLU 6 N -2.67 2.34 0.59 0.03 2.12 -0.46 -4.99 118.70 115.66 1ujk s GLU 6 Ca 0.23 -1.92 0.36 0.00 0.36 0.00 0.00 54.97 54.00 1ujk s GLU 6 Cb 0.19 -3.78 1.27 0.00 0.26 0.00 0.00 34.13 32.07 1ujk s GLU 6 CO 0.52 -1.15 1.44 -1.35 -0.54 0.00 0.00 175.26 174.18 1ujk h PRO 7 N 8.07 0.00 0.00 4.30 0.11 -1.82 0.28 132.00 142.94 1ujk h PRO 7 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1ujk h PRO 7 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ujk h PRO 7 CO 0.77 0.00 -0.45 0.93 -0.21 0.00 0.00 178.00 179.04 1ujk h GLU 8 N 0.00 0.00 -7.15 1.05 5.08 -1.94 -3.36 114.58 108.26 1ujk h GLU 8 Ca 0.65 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 58.50 1ujk h GLU 8 Cb 3.18 0.00 0.10 0.00 0.50 0.00 0.00 28.75 32.52 1ujk h GLU 8 CO -0.01 0.00 0.40 0.95 -1.00 0.00 0.00 179.01 179.36 1ujk s THR 9 N -3.17 3.09 0.45 1.13 -4.23 0.09 -4.84 115.64 108.15 1ujk s THR 9 Ca 0.07 0.58 0.13 0.00 -1.18 0.00 0.00 61.69 61.28 1ujk s THR 9 Cb 0.12 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 71.03 1ujk s THR 9 CO 0.69 -0.24 2.02 -0.07 -0.54 0.00 0.00 174.62 176.48 1ujk h LEU 10 N 0.47 0.12 0.31 4.79 3.38 -1.91 -0.21 115.31 122.26 1ujk h LEU 10 Ca -0.48 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 1ujk h LEU 10 Cb 1.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1ujk h LEU 10 CO 0.55 0.21 -0.15 -0.33 0.09 0.00 0.00 178.44 178.81 1ujk h GLU 11 N 0.13 -0.39 -0.72 1.13 3.07 -1.91 -0.04 114.58 115.85 1ujk h GLU 11 Ca 0.03 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1ujk h GLU 11 Cb 0.20 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1ujk h GLU 11 CO 0.01 -0.16 0.36 0.00 -1.40 0.00 0.00 179.01 177.82 1ujk h ALA 12 N 0.09 0.92 -0.13 3.43 0.00 -1.63 -1.67 119.26 120.26 1ujk h ALA 12 Ca -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ujk h ALA 12 Cb 0.41 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ujk h ALA 12 CO 0.07 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.84 1ujk h ARG 13 N 0.99 0.19 -0.04 0.00 3.08 -0.96 -2.62 114.38 115.04 1ujk h ARG 13 Ca 0.25 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 1ujk h ARG 13 Cb 0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1ujk h ARG 13 CO -0.03 0.27 -0.37 0.97 -1.07 0.00 0.00 179.97 179.74 1ujk h ILE 14 N 0.07 1.28 -0.21 2.04 2.10 -0.89 0.18 117.51 122.08 1ujk h ILE 14 Ca 0.04 -1.32 -0.06 0.00 1.08 0.00 0.00 64.86 64.60 1ujk h ILE 14 Cb 0.14 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 1ujk h ILE 14 CO -0.00 0.38 -0.13 0.78 -1.08 0.00 0.00 178.15 178.10 1ujk h ASN 15 N 0.06 0.33 0.05 2.19 2.35 -1.11 -1.00 115.58 118.44 1ujk h ASN 15 Ca 0.01 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1ujk h ASN 15 Cb 0.69 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.98 1ujk h ASN 15 CO 0.05 0.49 -0.33 0.03 -1.65 0.00 0.00 177.43 176.02 1ujk h ARG 16 N 0.32 0.14 0.00 0.81 3.08 -1.05 -2.19 114.38 115.49 1ujk h ARG 16 Ca 0.06 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1ujk h ARG 16 Cb 0.43 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1ujk h ARG 16 CO 0.03 1.06 -0.00 0.00 -1.07 0.00 0.00 179.97 179.98 1ujk h ALA 17 N 0.10 1.04 0.00 0.04 0.00 -0.81 -2.70 119.26 116.93 1ujk h ALA 17 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ujk h ALA 17 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ujk h ALA 17 CO 0.06 0.01 -0.01 0.25 0.00 0.00 0.00 179.25 179.56 1ujk n THR 18 N -3.15 0.91 -1.67 0.00 -2.24 -0.40 -4.71 114.28 103.02 1ujk n THR 18 Ca -0.02 -0.95 -0.51 0.00 -2.27 0.00 0.00 64.05 60.29 1ujk n THR 18 Cb 0.11 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1ujk n THR 18 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1ujk n ASN 19 N -0.51 2.75 0.33 3.42 2.85 -0.82 -4.48 115.26 118.80 1ujk n ASN 19 Ca 0.02 1.05 0.19 0.00 -0.11 0.00 0.00 54.58 55.73 1ujk n ASN 19 Cb 0.34 -1.28 1.02 0.00 1.24 0.00 0.00 39.78 41.11 1ujk n ASN 19 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ujk h PRO 20 N 7.21 0.00 0.00 1.20 0.11 -1.91 -1.33 132.00 137.28 1ujk h PRO 20 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ujk h PRO 20 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ujk h PRO 20 CO 0.91 0.00 -0.26 1.28 -0.21 0.00 0.00 178.00 179.72 1ujk n LEU 21 N -2.95 0.38 -4.72 2.35 4.77 -1.26 -4.89 117.00 110.67 1ujk n LEU 21 Ca -0.02 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 1ujk n LEU 21 Cb 0.19 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1ujk n LEU 21 CO 0.17 0.01 1.37 0.20 -1.33 0.00 0.00 177.39 177.80 1ujk s ASN 22 N -3.38 6.37 0.32 -1.43 0.01 -0.50 -4.87 114.94 111.46 1ujk s ASN 22 Ca 0.11 2.88 0.17 0.00 -0.71 0.00 0.00 52.86 55.32 1ujk s ASN 22 Cb 0.17 -2.60 0.19 0.00 0.41 0.00 0.00 41.25 39.41 1ujk s ASN 22 CO 0.62 -0.97 1.51 0.11 -1.51 0.00 0.00 177.10 176.86 1ujk h LYS 23 N 6.64 0.00 -3.55 -0.60 1.57 -1.90 -3.47 116.57 115.26 1ujk h LYS 23 Ca -0.43 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1ujk h LYS 23 Cb 1.20 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.42 1ujk h LYS 23 CO 0.95 0.39 -0.08 -1.83 -0.57 0.00 0.00 179.45 178.31 1ujk s GLU 24 N -3.06 1.49 0.21 3.15 -1.05 -1.26 -5.13 118.70 113.05 1ujk s GLU 24 Ca 0.04 -1.14 -0.32 0.00 -0.15 0.00 0.00 54.97 53.41 1ujk s GLU 24 Cb 0.07 0.48 -0.13 0.00 -0.44 0.00 0.00 34.13 34.12 1ujk s GLU 24 CO 0.72 -0.62 1.57 1.28 0.95 0.00 0.00 175.26 179.17 1ujk n LEU 25 N -0.36 3.54 -4.22 1.83 4.77 -1.26 -4.90 117.00 116.39 1ujk n LEU 25 Ca -0.04 1.10 -0.44 0.00 -0.03 0.00 0.00 56.01 56.60 1ujk n LEU 25 Cb 0.62 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1ujk n LEU 25 CO 0.21 -0.15 1.09 -0.67 -1.33 0.00 0.00 177.39 176.54 1ujk n ASP 26 N 3.01 5.71 -0.08 -1.43 -0.08 -1.26 -4.87 116.55 117.54 1ujk n ASP 26 Ca 0.14 -3.15 0.22 0.00 -1.51 0.00 0.00 54.79 50.50 1ujk n ASP 26 Cb 0.32 -1.39 0.68 0.00 2.34 0.00 0.00 41.12 43.08 1ujk n ASP 26 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1ujk h TRP 27 N 6.28 0.06 -0.45 -0.67 4.06 -1.96 -0.86 115.95 122.41 1ujk h TRP 27 Ca 0.23 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.17 1ujk h TRP 27 Cb 0.77 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.90 1ujk h TRP 27 CO 0.93 0.02 0.24 0.00 -3.56 0.00 0.00 178.44 176.07 1ujk h ALA 28 N 1.67 0.57 -0.07 1.49 0.00 -1.99 -0.39 119.26 120.53 1ujk h ALA 28 Ca 0.32 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 1ujk h ALA 28 Cb 1.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ujk h ALA 28 CO -0.02 0.10 -0.81 0.77 0.00 0.00 0.00 179.25 179.29 1ujk h SER 29 N 0.58 0.62 0.24 0.00 0.02 -1.59 -2.06 113.55 111.37 1ujk h SER 29 Ca 0.16 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1ujk h SER 29 Cb 0.06 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1ujk h SER 29 CO -0.02 1.20 -0.12 0.40 -1.14 0.00 0.00 176.83 177.15 1ujk h ILE 30 N 0.33 0.79 -0.16 3.27 2.04 -1.04 -0.60 117.51 122.14 1ujk h ILE 30 Ca -0.05 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.54 1ujk h ILE 30 Cb 1.42 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1ujk h ILE 30 CO 0.15 0.04 -0.29 0.78 0.00 0.00 0.00 178.15 178.83 1ujk h ASN 31 N -0.41 0.30 -0.28 1.72 2.35 -1.15 -2.50 115.58 115.60 1ujk h ASN 31 Ca -0.03 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.56 1ujk h ASN 31 Cb 0.31 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1ujk h ASN 31 CO 0.05 0.58 -0.00 1.23 -1.65 0.00 0.00 177.43 177.65 1ujk h GLY 32 N 1.03 0.66 0.77 2.83 0.00 -1.12 -1.15 103.07 106.09 1ujk h GLY 32 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1ujk h GLY 32 CO 0.05 0.38 -0.03 -2.75 0.00 0.00 0.00 176.54 174.19 1ujk h PHE 33 N 0.59 0.34 -0.56 5.60 3.04 -0.68 -0.24 116.94 125.02 1ujk h PHE 33 Ca 0.12 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1ujk h PHE 33 Cb 0.37 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1ujk h PHE 33 CO 0.02 0.57 0.29 0.00 -2.02 0.00 0.00 178.31 177.16 1ujk h GLU 35 N 0.78 -0.06 -0.23 0.00 5.08 -1.06 -3.17 114.58 115.93 1ujk h GLU 35 Ca 0.20 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1ujk h GLU 35 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1ujk h GLU 35 CO -0.03 0.43 0.16 0.37 -1.00 0.00 0.00 179.01 178.94 1ujk h GLN 36 N -0.58 0.14 -0.91 2.33 5.75 -0.85 -2.13 115.11 118.86 1ujk h GLN 36 Ca -0.01 -0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.64 1ujk h GLN 36 Cb 0.52 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.96 1ujk h GLN 36 CO 0.01 0.10 0.59 1.25 -2.65 0.00 0.00 178.83 178.12 1ujk h LEU 37 N 0.15 0.66 -2.47 -2.39 6.46 -1.14 -1.80 115.31 114.78 1ujk h LEU 37 Ca 0.10 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1ujk h LEU 37 Cb 0.21 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1ujk h LEU 37 CO -0.01 0.32 0.00 0.59 -0.62 0.00 0.00 178.44 178.71 1ujk n ASN 38 N -4.58 3.73 -0.02 1.25 4.13 -0.80 -3.49 115.26 115.48 1ujk n ASN 38 Ca 0.18 -2.53 -0.12 0.00 1.68 0.00 0.00 54.58 53.80 1ujk n ASN 38 Cb 0.50 -0.60 -0.14 0.00 -1.54 0.00 0.00 39.78 38.00 1ujk n ASN 38 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ujk n GLU 39 N 0.38 0.67 -4.39 3.52 1.02 -0.68 -4.96 120.64 116.20 1ujk n GLU 39 Ca 0.16 0.27 -0.23 0.00 -0.02 0.00 0.00 57.16 57.35 1ujk n GLU 39 Cb 0.79 -1.76 -0.11 0.00 -0.02 0.00 0.00 31.44 30.35 1ujk n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ujk s ASP 40 N -6.30 3.04 0.35 1.62 1.11 -1.26 -5.03 116.67 110.20 1ujk s ASP 40 Ca -0.10 -0.93 0.05 0.00 0.18 0.00 0.00 52.55 51.76 1ujk s ASP 40 Cb 0.08 -0.21 0.66 0.00 1.07 0.00 0.00 42.92 44.52 1ujk s ASP 40 CO 0.81 -0.01 1.91 -0.26 1.18 0.00 0.00 175.17 178.80 1ujk h PHE 41 N 2.89 0.50 -0.13 4.23 0.04 -1.92 -1.36 116.94 121.18 1ujk h PHE 41 Ca -0.42 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1ujk h PHE 41 Cb 1.22 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1ujk h PHE 41 CO 0.72 0.48 0.00 0.39 -0.60 0.00 0.00 178.31 179.30 1ujk n GLU 42 N -4.31 1.60 0.37 1.51 -0.58 -1.26 -4.32 120.64 113.65 1ujk n GLU 42 Ca 0.01 -0.90 -0.18 0.00 -0.42 0.00 0.00 57.16 55.67 1ujk n GLU 42 Cb 0.22 -1.38 -0.09 0.00 -0.57 0.00 0.00 31.44 29.62 1ujk n GLU 42 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1ujk h GLY 43 N 5.07 -0.97 0.36 0.62 0.00 -1.43 -2.67 103.07 104.05 1ujk h GLY 43 Ca 0.00 0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.78 1ujk h GLY 43 CO 0.00 -0.35 0.17 -2.55 0.00 0.00 0.00 176.54 173.81 1ujk h PRO 44 N -1.00 0.32 -0.67 4.80 0.11 -1.75 -0.11 132.00 133.70 1ujk h PRO 44 Ca -0.09 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1ujk h PRO 44 Cb 0.73 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1ujk h PRO 44 CO 0.16 0.21 0.25 -1.35 -0.21 0.00 0.00 178.00 177.05 1ujk h PRO 45 N 0.33 0.99 -0.35 1.05 0.11 -1.83 -1.81 132.00 130.49 1ujk h PRO 45 Ca 0.28 -0.18 -0.13 0.00 0.11 0.00 0.00 66.00 66.09 1ujk h PRO 45 Cb 0.37 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1ujk h PRO 45 CO -0.32 0.82 -0.28 1.25 -0.21 0.00 0.00 178.00 179.26 1ujk h LEU 46 N 0.97 0.84 -0.19 2.35 6.46 -1.09 -2.63 115.31 122.02 1ujk h LEU 46 Ca 0.22 -0.45 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1ujk h LEU 46 Cb 0.22 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 1ujk h LEU 46 CO -0.02 1.11 0.02 0.00 -0.62 0.00 0.00 178.44 178.94 1ujk h ALA 47 N 0.76 0.18 -0.12 1.25 0.00 -0.66 -0.78 119.26 119.88 1ujk h ALA 47 Ca 0.06 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ujk h ALA 47 Cb 0.85 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ujk h ALA 47 CO 0.07 -0.41 -0.27 1.79 0.00 0.00 0.00 179.25 180.42 1ujk h THR 48 N 0.09 1.24 -0.10 0.00 1.35 -1.35 0.63 112.91 114.78 1ujk h THR 48 Ca 0.09 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.78 1ujk h THR 48 Cb 0.09 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1ujk h THR 48 CO -0.13 0.35 0.03 -0.09 -0.25 0.00 0.00 175.52 175.43 1ujk h ARG 49 N 0.20 0.15 -0.31 4.72 2.43 -1.06 -0.57 114.38 119.94 1ujk h ARG 49 Ca 0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1ujk h ARG 49 Cb 0.59 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1ujk h ARG 49 CO 0.04 0.31 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.72 1ujk h LEU 50 N -0.04 0.55 -0.57 3.80 3.38 -0.91 -3.02 115.31 118.51 1ujk h LEU 50 Ca 0.03 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1ujk h LEU 50 Cb 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ujk h LEU 50 CO -0.00 0.74 0.36 -0.07 0.09 0.00 0.00 178.44 179.56 1ujk h LEU 51 N 0.35 0.60 -0.67 1.67 3.38 -0.81 -2.13 115.31 117.70 1ujk h LEU 51 Ca 0.09 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1ujk h LEU 51 Cb 0.47 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1ujk h LEU 51 CO 0.02 0.43 0.32 0.00 0.09 0.00 0.00 178.44 179.30 1ujk h ALA 52 N 1.23 0.90 -0.23 1.53 0.00 -1.06 0.97 119.26 122.60 1ujk h ALA 52 Ca 0.22 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1ujk h ALA 52 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ujk h ALA 52 CO -0.08 -0.06 -0.05 1.25 0.00 0.00 0.00 179.25 180.31 1ujk h HIS 53 N 0.57 0.50 -0.53 0.00 -0.00 -1.35 -2.70 115.15 111.65 1ujk h HIS 53 Ca 0.32 -0.11 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 1ujk h HIS 53 Cb 0.32 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 1ujk h HIS 53 CO -0.11 0.67 0.18 0.87 -0.00 0.00 0.00 177.93 179.53 1ujk h LYS 54 N 0.18 0.77 0.00 5.26 1.79 -0.96 -2.17 116.57 121.44 1ujk h LYS 54 Ca 0.06 -0.13 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 1ujk h LYS 54 Cb 0.51 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1ujk h LYS 54 CO 0.02 0.66 -0.25 0.82 -1.08 0.00 0.00 179.45 179.63 1ujk h ILE 55 N 0.76 0.93 -0.39 1.86 2.04 -0.73 -2.30 117.51 119.68 1ujk h ILE 55 Ca 0.18 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1ujk h ILE 55 Cb 0.21 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1ujk h ILE 55 CO -0.01 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.38 1ujk n GLN 56 N -3.88 2.31 -2.19 2.37 6.02 -0.83 -4.75 117.38 116.44 1ujk n GLN 56 Ca -0.02 -1.57 -0.40 0.00 -0.01 0.00 0.00 57.00 55.00 1ujk n GLN 56 Cb 0.33 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 1ujk n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ujk s SER 57 N -0.84 6.83 0.43 1.08 0.15 -0.86 -4.91 113.70 115.58 1ujk s SER 57 Ca 0.29 2.59 0.29 0.00 0.70 0.00 0.00 55.95 59.82 1ujk s SER 57 Cb 0.17 -2.64 1.20 0.00 -1.71 0.00 0.00 66.02 63.04 1ujk s SER 57 CO 0.16 -0.49 1.87 -0.65 1.20 0.00 0.00 173.24 175.34 1ujk h PRO 58 N 3.38 0.00 -5.43 5.44 0.11 -1.92 -3.39 132.00 130.18 1ujk h PRO 58 Ca -0.49 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.99 1ujk h PRO 58 Cb 1.22 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1ujk h PRO 58 CO 0.65 0.00 0.45 -0.65 -0.21 0.00 0.00 178.00 178.24 1ujk s GLN 59 N -3.52 3.16 0.22 1.05 -0.21 -1.26 -4.94 119.66 114.17 1ujk s GLN 59 Ca 0.03 -0.73 -0.14 0.00 0.02 0.00 0.00 55.36 54.54 1ujk s GLN 59 Cb 0.09 -4.17 0.27 0.00 1.00 0.00 0.00 33.01 30.21 1ujk s GLN 59 CO 0.48 -1.63 1.60 1.49 -2.12 0.00 0.00 175.29 175.11 1ujk h GLU 60 N 9.39 -0.03 -0.39 2.91 4.81 -1.99 0.40 114.58 129.68 1ujk h GLU 60 Ca -0.28 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 1ujk h GLU 60 Cb 1.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1ujk h GLU 60 CO 1.12 -0.02 0.26 2.35 -0.73 0.00 0.00 179.01 182.00 1ujk h TRP 61 N -0.03 0.38 -0.07 0.92 -0.00 -1.94 0.31 115.95 115.52 1ujk h TRP 61 Ca 0.34 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.22 1ujk h TRP 61 Cb 0.55 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.58 1ujk h TRP 61 CO -0.62 0.22 -0.03 1.49 -0.00 0.00 0.00 178.44 179.51 1ujk h GLU 62 N 0.39 0.14 -0.74 2.65 4.81 -1.16 -2.03 114.58 118.64 1ujk h GLU 62 Ca 0.16 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1ujk h GLU 62 Cb 0.16 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1ujk h GLU 62 CO -0.04 0.50 0.27 0.00 -0.73 0.00 0.00 179.01 179.00 1ujk h ALA 63 N 0.64 0.97 -0.37 2.92 0.00 -0.76 -1.85 119.26 120.80 1ujk h ALA 63 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ujk h ALA 63 Cb 0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ujk h ALA 63 CO 0.01 0.63 0.18 0.82 0.00 0.00 0.00 179.25 180.88 1ujk h ILE 64 N 1.09 1.17 -0.60 0.00 1.08 -0.38 -0.55 117.51 119.31 1ujk h ILE 64 Ca 0.24 -0.47 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1ujk h ILE 64 Cb 0.26 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 1ujk h ILE 64 CO -0.01 0.18 0.08 1.56 -0.69 0.00 0.00 178.15 179.26 1ujk h GLN 65 N 0.46 0.97 -0.80 2.37 4.20 -1.25 -1.25 115.11 119.81 1ujk h GLN 65 Ca 0.13 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1ujk h GLN 65 Cb 0.11 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1ujk h GLN 65 CO -0.02 0.91 0.43 0.00 -0.67 0.00 0.00 178.83 179.48 1ujk h ALA 66 N 1.17 1.24 -0.09 3.87 0.00 -0.99 0.20 119.26 124.67 1ujk h ALA 66 Ca 0.18 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ujk h ALA 66 Cb 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ujk h ALA 66 CO 0.01 0.61 -0.35 -0.07 0.00 0.00 0.00 179.25 179.45 1ujk h LEU 67 N 1.13 0.17 -0.56 0.00 3.38 -0.57 -0.19 115.31 118.67 1ujk h LEU 67 Ca 0.28 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1ujk h LEU 67 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ujk h LEU 67 CO -0.04 0.52 -0.41 0.74 0.09 0.00 0.00 178.44 179.34 1ujk h THR 68 N 0.15 1.29 -0.29 0.22 2.02 -0.06 0.28 112.91 116.52 1ujk h THR 68 Ca 0.02 -1.59 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 1ujk h THR 68 Cb 0.70 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1ujk h THR 68 CO 0.05 0.51 0.04 0.58 0.37 0.00 0.00 175.52 177.07 1ujk h VAL 69 N 0.57 1.24 -0.18 3.16 2.07 -0.42 -0.81 116.25 121.87 1ujk h VAL 69 Ca 0.04 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1ujk h VAL 69 Cb 0.95 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1ujk h VAL 69 CO 0.09 0.27 0.12 0.25 0.02 0.00 0.00 177.57 178.31 1ujk h LEU 70 N 0.31 0.20 -0.84 2.57 5.85 -0.89 -0.39 115.31 122.12 1ujk h LEU 70 Ca 0.09 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ujk h LEU 70 Cb 0.35 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1ujk h LEU 70 CO 0.01 0.15 0.54 -0.08 -0.34 0.00 0.00 178.44 178.71 1ujk h GLU 71 N 0.24 1.02 -0.18 1.25 4.81 -0.83 -1.71 114.58 119.19 1ujk h GLU 71 Ca 0.07 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1ujk h GLU 71 Cb -0.02 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1ujk h GLU 71 CO -0.02 0.68 -0.07 1.15 -0.73 0.00 0.00 179.01 180.02 1ujk h THR 72 N 1.06 1.30 -0.43 0.32 2.02 -0.78 -2.46 112.91 113.94 1ujk h THR 72 Ca 0.33 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1ujk h THR 72 Cb -0.00 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1ujk h THR 72 CO -0.11 0.33 -0.06 0.00 0.37 0.00 0.00 175.52 176.05 1ujk h MET 74 N 0.67 0.00 0.00 0.00 2.07 -1.29 -1.63 114.93 114.74 1ujk h MET 74 Ca 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.75 1ujk h MET 74 Cb 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1ujk h MET 74 CO 0.03 0.27 0.00 0.87 1.07 0.00 0.00 176.91 179.15 1ujk h LYS 75 N 0.00 0.00 -7.14 1.72 1.57 -0.87 -3.44 116.57 108.41 1ujk h LYS 75 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1ujk h LYS 75 Cb 0.56 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.91 1ujk h LYS 75 CO 0.04 0.00 0.38 -1.12 -0.57 0.00 0.00 179.45 178.17 1ujk s SER 76 N -4.66 6.18 -0.08 0.86 0.01 -0.62 -4.95 113.70 110.45 1ujk s SER 76 Ca 0.04 1.83 0.02 0.00 1.31 0.00 0.00 55.95 59.14 1ujk s SER 76 Cb 0.09 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.94 1ujk s SER 76 CO 0.44 -0.89 1.03 0.00 0.41 0.00 0.00 173.24 174.23 1ujk s GLY 78 N 0.22 2.33 0.15 0.00 0.00 -1.26 -4.98 107.32 103.78 1ujk s GLY 78 Ca 0.13 -0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.70 1ujk s GLY 78 CO 0.03 1.29 1.55 1.70 0.00 0.00 0.00 173.10 177.67 1ujk h LYS 79 N 7.09 0.96 -0.37 2.90 3.64 -2.00 -3.09 116.57 125.71 1ujk h LYS 79 Ca -0.36 -0.39 0.06 0.00 -1.27 0.00 0.00 60.65 58.69 1ujk h LYS 79 Cb 1.17 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1ujk h LYS 79 CO 0.78 1.05 0.07 0.00 -2.27 0.00 0.00 179.45 179.08 1ujk h ARG 80 N 0.81 0.18 -0.52 1.90 3.08 -1.99 -0.31 114.38 117.54 1ujk h ARG 80 Ca 0.12 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1ujk h ARG 80 Cb 0.73 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1ujk h ARG 80 CO 0.06 0.12 -0.13 0.35 -1.07 0.00 0.00 179.97 179.30 1ujk h PHE 81 N 0.19 1.13 -0.84 3.04 3.57 -1.95 -1.59 116.94 120.48 1ujk h PHE 81 Ca 0.17 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.46 1ujk h PHE 81 Cb 0.20 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1ujk h PHE 81 CO -0.19 1.06 0.54 0.45 -2.23 0.00 0.00 178.31 177.94 1ujk h HIS 82 N 0.87 1.01 -0.26 0.41 3.86 -1.36 -1.48 115.15 118.19 1ujk h HIS 82 Ca 0.13 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.26 1ujk h HIS 82 Cb 0.70 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1ujk h HIS 82 CO 0.05 0.57 -0.29 -0.44 0.86 0.00 0.00 177.93 178.68 1ujk h ASP 83 N 1.04 0.54 -0.33 2.45 3.45 -0.81 -0.81 116.42 121.95 1ujk h ASP 83 Ca 0.34 -0.20 -0.13 0.00 0.43 0.00 0.00 57.03 57.47 1ujk h ASP 83 Cb 0.02 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1ujk h ASP 83 CO -0.12 0.81 -0.31 -0.33 -1.57 0.00 0.00 179.24 177.72 1ujk h GLU 84 N 0.46 0.78 0.00 3.56 4.39 -0.65 -2.78 114.58 120.34 1ujk h GLU 84 Ca 0.06 -0.41 -0.10 0.00 0.34 0.00 0.00 59.36 59.25 1ujk h GLU 84 Cb 0.74 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1ujk h GLU 84 CO 0.06 1.04 -0.49 0.28 -1.16 0.00 0.00 179.01 178.73 1ujk h VAL 85 N 0.56 1.33 0.00 3.13 2.07 -1.25 -2.92 116.25 119.16 1ujk h VAL 85 Ca 0.05 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1ujk h VAL 85 Cb 0.88 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1ujk h VAL 85 CO 0.08 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.76 1ujk n GLY 86 N -0.08 1.33 3.59 2.17 0.00 -0.31 -4.18 105.19 107.70 1ujk n GLY 86 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1ujk n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujk s LYS 87 N -1.03 2.44 0.59 1.61 1.02 -1.10 -4.48 119.74 118.78 1ujk s LYS 87 Ca 0.00 -0.81 0.34 0.00 0.02 0.00 0.00 55.97 55.52 1ujk s LYS 87 Cb 0.00 -2.45 1.89 0.00 -0.52 0.00 0.00 37.83 36.75 1ujk s LYS 87 CO 0.00 0.58 2.23 0.74 -0.92 0.00 0.00 175.35 177.98 1ujk h PHE 88 N 4.28 0.00 -0.92 3.18 0.04 -1.89 0.62 116.94 122.25 1ujk h PHE 88 Ca -0.48 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.39 1ujk h PHE 88 Cb 1.17 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.24 1ujk h PHE 88 CO 0.58 0.03 0.55 -0.09 -0.60 0.00 0.00 178.31 178.78 1ujk h ARG 89 N 0.00 0.87 0.05 1.51 2.43 -1.94 -0.14 114.38 117.16 1ujk h ARG 89 Ca -0.00 -0.05 -0.31 0.00 -0.81 0.00 0.00 59.98 58.80 1ujk h ARG 89 Cb 0.11 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1ujk h ARG 89 CO 0.00 0.58 -1.74 0.34 -1.51 0.00 0.00 179.97 177.65 1ujk n PHE 90 N -4.68 0.96 -0.14 2.20 7.35 -0.27 -4.32 117.46 118.56 1ujk n PHE 90 Ca 0.16 0.31 0.13 0.00 -0.76 0.00 0.00 57.45 57.28 1ujk n PHE 90 Cb 0.31 -1.11 0.47 0.00 0.35 0.00 0.00 39.48 39.50 1ujk n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ujk h LEU 91 N -0.53 0.44 -1.44 -2.13 3.38 -0.87 -0.41 115.31 113.75 1ujk h LEU 91 Ca -0.43 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1ujk h LEU 91 Cb 1.65 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1ujk h LEU 91 CO -0.11 0.25 -0.00 0.78 0.09 0.00 0.00 178.44 179.45 1ujk h ASN 92 N 0.48 0.33 0.20 -0.43 2.35 -1.21 -0.98 115.58 116.32 1ujk h ASN 92 Ca 0.33 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1ujk h ASN 92 Cb 0.64 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1ujk h ASN 92 CO -0.11 0.39 -0.32 -0.33 -1.65 0.00 0.00 177.43 175.41 1ujk h GLU 93 N 0.35 0.19 -0.01 0.81 4.39 -1.26 -1.13 114.58 117.93 1ujk h GLU 93 Ca 0.08 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.47 1ujk h GLU 93 Cb 0.24 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1ujk h GLU 93 CO 0.01 0.50 -0.96 -0.07 -1.16 0.00 0.00 179.01 177.33 1ujk h LEU 94 N 0.17 0.66 -1.06 1.33 3.38 -1.29 -3.18 115.31 115.32 1ujk h LEU 94 Ca 0.02 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1ujk h LEU 94 Cb 0.66 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1ujk h LEU 94 CO 0.05 1.32 0.39 0.40 0.09 0.00 0.00 178.44 180.69 1ujk h ILE 95 N 0.29 1.23 -0.15 1.22 2.04 -0.78 -1.88 117.51 119.49 1ujk h ILE 95 Ca -0.09 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 1ujk h ILE 95 Cb 1.60 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1ujk h ILE 95 CO 0.17 0.26 -0.03 0.11 0.00 0.00 0.00 178.15 178.66 1ujk h LYS 96 N 1.06 0.21 -0.04 2.37 1.57 -1.20 0.13 116.57 120.66 1ujk h LYS 96 Ca 0.26 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.78 1ujk h LYS 96 Cb 0.05 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1ujk h LYS 96 CO -0.04 0.27 -0.93 0.28 -0.57 0.00 0.00 179.45 178.46 1ujk h VAL 97 N 0.21 1.33 0.00 0.50 2.07 -1.33 -0.30 116.25 118.72 1ujk h VAL 97 Ca 0.05 -2.24 -0.06 0.00 0.82 0.00 0.00 66.70 65.27 1ujk h VAL 97 Cb 0.20 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1ujk h VAL 97 CO 0.01 0.69 -1.16 1.33 0.02 0.00 0.00 177.57 178.46 1ujk n VAL 98 N -3.83 0.82 -2.61 2.57 0.24 -1.00 -3.01 118.33 111.50 1ujk n VAL 98 Ca -0.08 -0.60 -0.43 0.00 -2.04 0.00 0.00 64.34 61.19 1ujk n VAL 98 Cb 0.82 -0.48 -0.02 0.00 -1.47 0.00 0.00 33.84 32.69 1ujk n VAL 98 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ujk s SER 99 N -5.50 7.14 0.65 -1.34 0.01 0.42 -4.56 113.70 110.53 1ujk s SER 99 Ca -0.01 1.57 0.43 0.00 1.31 0.00 0.00 55.95 59.25 1ujk s SER 99 Cb 0.09 -2.55 2.32 0.00 0.21 0.00 0.00 66.02 66.09 1ujk s SER 99 CO 0.80 -0.56 2.33 -0.65 0.41 0.00 0.00 173.24 175.57 1ujk h PRO 100 N 7.37 0.00 0.00 12.44 0.11 -1.89 0.26 132.00 150.29 1ujk h PRO 100 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ujk h PRO 100 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ujk h PRO 100 CO 0.90 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.56 1ujk h LYS 101 N 0.00 0.00 0.00 1.05 1.57 -1.92 -3.38 116.57 113.89 1ujk h LYS 101 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ujk h LYS 101 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1ujk h LYS 101 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1ujk n TYR 102 N -2.81 0.00 1.01 -1.35 4.02 -0.28 -4.97 117.16 112.77 1ujk n TYR 102 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.01 1ujk n TYR 102 Cb 0.28 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.62 1ujk n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ujk n LEU 103 N 0.00 0.93 -0.29 7.72 4.77 -0.13 -4.51 117.00 125.49 1ujk n LEU 103 Ca 0.00 -0.36 0.11 0.00 -0.03 0.00 0.00 56.01 55.73 1ujk n LEU 103 Cb 0.00 -0.08 0.27 0.00 -2.33 0.00 0.00 43.42 41.28 1ujk n LEU 103 CO 0.00 0.22 0.98 1.23 -1.33 0.00 0.00 177.39 178.49 1ujk h GLY 104 N 4.99 1.33 1.61 -0.72 0.00 -0.47 0.19 103.07 109.99 1ujk h GLY 104 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ujk h GLY 104 CO 0.00 -0.29 0.00 -1.14 0.00 0.00 0.00 176.54 175.11 1ujk n SER 105 N -5.14 0.00 -0.00 0.19 3.41 -1.26 -2.91 113.62 107.91 1ujk n SER 105 Ca 0.20 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1ujk n SER 105 Cb 0.61 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1ujk n SER 105 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ujk n ARG 106 N -1.30 2.46 -4.74 4.33 1.74 0.57 -5.03 116.66 114.69 1ujk n ARG 106 Ca 0.09 -1.36 -0.33 0.00 -0.77 0.00 0.00 57.85 55.47 1ujk n ARG 106 Cb 0.16 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.55 1ujk n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ujk s THR 107 N -0.88 3.41 0.80 0.55 2.01 -0.66 -5.06 115.64 115.81 1ujk s THR 107 Ca 0.01 -0.59 -0.13 0.00 0.31 0.00 0.00 61.69 61.29 1ujk s THR 107 Cb 0.01 -2.37 0.08 0.00 0.01 0.00 0.00 72.50 70.22 1ujk s THR 107 CO 0.00 0.59 1.17 -0.94 -0.69 0.00 0.00 174.62 174.75 1ujk s SER 108 N -0.75 3.81 0.24 3.53 1.04 -1.26 -4.85 113.70 115.47 1ujk s SER 108 Ca 0.11 2.22 -0.03 0.00 0.48 0.00 0.00 55.95 58.74 1ujk s SER 108 Cb -0.11 -2.57 0.28 0.00 0.10 0.00 0.00 66.02 63.72 1ujk s SER 108 CO 0.01 -2.51 1.70 -0.08 0.98 0.00 0.00 173.24 173.34 1ujk h GLU 109 N -0.95 0.76 -0.35 4.02 4.57 -1.99 -2.12 114.58 118.53 1ujk h GLU 109 Ca -0.45 -0.25 0.04 0.00 -1.18 0.00 0.00 59.36 57.52 1ujk h GLU 109 Cb 1.28 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1ujk h GLU 109 CO 0.47 0.84 0.12 -0.22 -1.18 0.00 0.00 179.01 179.04 1ujk h LYS 110 N 0.69 0.26 -0.17 1.92 3.64 -1.99 0.16 116.57 121.08 1ujk h LYS 110 Ca 0.12 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1ujk h LYS 110 Cb 0.58 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1ujk h LYS 110 CO 0.04 0.17 -0.08 0.28 -2.27 0.00 0.00 179.45 177.59 1ujk h VAL 111 N 0.27 1.31 -0.71 2.00 2.07 -1.89 -2.33 116.25 116.96 1ujk h VAL 111 Ca 0.16 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1ujk h VAL 111 Cb 0.13 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1ujk h VAL 111 CO -0.16 0.33 0.35 0.11 0.02 0.00 0.00 177.57 178.22 1ujk h LYS 112 N 0.03 1.01 -0.59 1.57 1.57 -1.19 -2.21 116.57 116.77 1ujk h LYS 112 Ca 0.04 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1ujk h LYS 112 Cb 0.55 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1ujk h LYS 112 CO 0.02 0.79 0.14 -0.91 -0.57 0.00 0.00 179.45 178.92 1ujk h ASN 113 N 0.98 0.86 -0.60 0.86 -0.26 -0.68 -2.08 115.58 114.67 1ujk h ASN 113 Ca 0.24 -0.17 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 1ujk h ASN 113 Cb 0.10 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 1ujk h ASN 113 CO -0.03 0.84 0.20 0.50 -1.06 0.00 0.00 177.43 177.89 1ujk h LYS 114 N 0.88 0.92 -0.35 0.81 1.63 -1.06 -0.42 116.57 118.98 1ujk h LYS 114 Ca 0.19 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ujk h LYS 114 Cb 0.33 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1ujk h LYS 114 CO 0.00 0.81 0.18 0.82 -3.45 0.00 0.00 179.45 177.81 1ujk h ILE 115 N 0.84 1.15 -0.82 2.00 2.04 -1.12 -0.78 117.51 120.82 1ujk h ILE 115 Ca 0.19 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1ujk h ILE 115 Cb 0.26 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1ujk h ILE 115 CO -0.01 0.16 0.39 -0.07 0.00 0.00 0.00 178.15 178.61 1ujk h LEU 116 N 0.44 1.08 -0.61 1.44 3.38 -1.14 -0.10 115.31 119.79 1ujk h LEU 116 Ca 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ujk h LEU 116 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1ujk h LEU 116 CO -0.02 0.91 0.23 -0.33 0.09 0.00 0.00 178.44 179.33 1ujk h GLU 117 N 1.16 0.92 -0.16 1.13 5.08 -0.78 -1.26 114.58 120.67 1ujk h GLU 117 Ca 0.28 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ujk h GLU 117 Cb 0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ujk h GLU 117 CO -0.03 0.79 0.02 -0.07 -1.00 0.00 0.00 179.01 178.71 1ujk h LEU 118 N 0.85 0.26 -0.33 1.33 3.38 -0.71 -1.51 115.31 118.58 1ujk h LEU 118 Ca 0.20 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1ujk h LEU 118 Cb 0.22 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1ujk h LEU 118 CO -0.01 0.47 -0.05 -0.07 0.09 0.00 0.00 178.44 178.86 1ujk h LEU 119 N 0.04 -0.24 -0.33 1.67 3.38 -0.89 -1.39 115.31 117.55 1ujk h LEU 119 Ca 0.05 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1ujk h LEU 119 Cb 0.32 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1ujk h LEU 119 CO 0.00 -0.08 0.10 0.22 0.09 0.00 0.00 178.44 178.77 1ujk h TYR 120 N 0.03 0.18 -0.58 1.13 3.20 -1.11 -1.34 116.97 118.48 1ujk h TYR 120 Ca 0.16 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.11 1ujk h TYR 120 Cb 0.23 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1ujk h TYR 120 CO -0.28 0.07 0.38 0.66 -1.64 0.00 0.00 178.16 177.35 1ujk h SER 121 N 0.23 0.45 0.70 -2.11 4.64 -0.50 -0.93 113.55 116.03 1ujk h SER 121 Ca 0.15 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.29 1ujk h SER 121 Cb 0.14 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1ujk h SER 121 CO -0.17 0.29 -0.84 -0.50 -0.87 0.00 0.00 176.83 174.75 1ujk h TRP 122 N 0.52 0.14 0.00 4.77 6.55 -0.51 0.11 115.95 127.51 1ujk h TRP 122 Ca 0.25 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 59.96 1ujk h TRP 122 Cb 0.33 -0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 1ujk h TRP 122 CO -0.00 0.88 -0.27 1.79 -1.05 0.00 0.00 178.44 179.79 1ujk h THR 123 N 0.05 1.06 0.05 1.49 1.35 -0.10 0.57 112.91 117.38 1ujk h THR 123 Ca -0.02 -0.98 -0.26 0.00 -0.55 0.00 0.00 66.41 64.60 1ujk h THR 123 Cb 1.46 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 1ujk h THR 123 CO 0.12 0.27 -1.40 0.58 -0.25 0.00 0.00 175.52 174.84 1ujk h VAL 124 N 0.00 0.91 0.00 6.82 2.07 -1.27 -3.35 116.25 121.43 1ujk h VAL 124 Ca -0.00 -2.27 -0.13 0.00 0.82 0.00 0.00 66.70 65.12 1ujk h VAL 124 Cb 0.53 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1ujk h VAL 124 CO 0.04 0.53 -0.64 1.23 0.02 0.00 0.00 177.57 178.75 1ujk h GLY 125 N -0.32 0.00 -5.77 2.17 0.00 -0.79 -3.38 103.07 94.98 1ujk h GLY 125 Ca -0.34 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.45 1ujk h GLY 125 CO -0.08 0.00 -0.93 1.04 0.00 0.00 0.00 176.54 176.57 1ujk n LEU 126 N -3.23 2.32 0.24 3.11 4.77 0.19 -4.94 117.00 119.46 1ujk n LEU 126 Ca 0.01 -5.25 0.17 0.00 -0.03 0.00 0.00 56.01 50.91 1ujk n LEU 126 Cb 0.78 0.13 0.81 0.00 -2.33 0.00 0.00 43.42 42.80 1ujk n LEU 126 CO 0.42 2.26 1.15 -0.65 -1.33 0.00 0.00 177.39 179.24 1ujk h PRO 127 N 3.24 0.00 0.00 3.23 0.11 -1.70 -0.78 132.00 136.10 1ujk h PRO 127 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1ujk h PRO 127 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ujk h PRO 127 CO 0.64 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.82 1ujk n GLU 128 N -3.26 0.20 -2.49 1.05 1.02 -1.26 -3.76 120.64 112.14 1ujk n GLU 128 Ca 0.01 0.30 -0.43 0.00 -0.02 0.00 0.00 57.16 57.03 1ujk n GLU 128 Cb 0.45 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1ujk n GLU 128 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ujk n GLU 129 N -2.16 3.67 0.04 3.49 -0.58 -0.30 -4.80 120.64 120.00 1ujk n GLU 129 Ca 0.04 -3.68 0.19 0.00 -0.42 0.00 0.00 57.16 53.29 1ujk n GLU 129 Cb 0.31 -2.90 0.69 0.00 -0.57 0.00 0.00 31.44 28.98 1ujk n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1ujk h VAL 130 N 3.82 0.73 -0.05 2.62 -1.51 -1.83 -1.57 116.25 118.47 1ujk h VAL 130 Ca 0.36 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.76 1ujk h VAL 130 Cb 0.66 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1ujk h VAL 130 CO 1.54 0.00 -0.29 0.11 -1.23 0.00 0.00 177.57 177.70 1ujk h LYS 131 N 0.00 0.10 -0.54 5.19 1.57 -1.87 -0.69 116.57 120.33 1ujk h LYS 131 Ca 0.22 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1ujk h LYS 131 Cb 0.90 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1ujk h LYS 131 CO -0.00 0.39 -0.07 0.82 -0.57 0.00 0.00 179.45 180.01 1ujk h ILE 132 N 0.09 1.27 -0.64 1.86 2.04 -1.51 -1.40 117.51 119.22 1ujk h ILE 132 Ca 0.01 -1.21 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 1ujk h ILE 132 Cb 0.57 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1ujk h ILE 132 CO 0.04 0.43 0.04 0.00 0.00 0.00 0.00 178.15 178.66 1ujk h ALA 133 N 0.93 0.86 -0.31 1.87 0.00 -1.42 -1.41 119.26 119.76 1ujk h ALA 133 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ujk h ALA 133 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ujk h ALA 133 CO 0.04 0.67 0.21 0.93 0.00 0.00 0.00 179.25 181.10 1ujk h GLU 134 N 1.01 0.41 -0.45 0.00 5.08 -0.86 -0.44 114.58 119.34 1ujk h GLU 134 Ca 0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ujk h GLU 134 Cb 0.52 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1ujk h GLU 134 CO 0.02 0.27 0.22 0.00 -1.00 0.00 0.00 179.01 178.53 1ujk h ALA 135 N 1.12 0.58 -0.46 3.43 0.00 -1.08 -2.30 119.26 120.54 1ujk h ALA 135 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ujk h ALA 135 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1ujk h ALA 135 CO -0.03 0.13 0.20 -0.92 0.00 0.00 0.00 179.25 178.62 1ujk h TYR 136 N 0.58 0.69 -0.48 0.00 3.20 -0.98 -2.22 116.97 117.77 1ujk h TYR 136 Ca 0.15 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 1ujk h TYR 136 Cb 0.10 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1ujk h TYR 136 CO -0.01 0.58 0.16 1.96 -1.64 0.00 0.00 178.16 179.20 1ujk h GLN 137 N 0.60 0.70 -0.30 1.82 1.08 -0.96 -1.82 115.11 116.23 1ujk h GLN 137 Ca 0.16 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1ujk h GLN 137 Cb 0.17 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1ujk h GLN 137 CO -0.02 0.60 0.05 1.98 -0.95 0.00 0.00 178.83 180.50 1ujk h MET 138 N 0.69 0.49 -0.45 1.46 4.05 -1.16 -1.51 114.93 118.50 1ujk h MET 138 Ca 0.16 -0.13 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1ujk h MET 138 Cb 0.19 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1ujk h MET 138 CO -0.01 0.58 0.30 -0.07 0.23 0.00 0.00 176.91 177.94 1ujk h LEU 139 N 0.31 0.48 -0.41 3.39 3.38 -0.92 -0.40 115.31 121.14 1ujk h LEU 139 Ca 0.09 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1ujk h LEU 139 Cb 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ujk h LEU 139 CO 0.00 0.34 -0.52 0.50 0.09 0.00 0.00 178.44 178.86 1ujk h LYS 140 N 0.57 0.00 0.00 1.13 3.64 -1.02 0.23 116.57 121.12 1ujk h LYS 140 Ca 0.17 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.39 1ujk h LYS 140 Cb -0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1ujk h LYS 140 CO -0.04 0.52 -0.76 0.87 -2.27 0.00 0.00 179.45 177.77 1ujk h LYS 141 N 0.00 0.00 -0.08 1.90 1.57 -0.08 -3.05 116.57 116.83 1ujk h LYS 141 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ujk h LYS 141 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1ujk h LYS 141 CO 0.07 0.76 0.00 1.04 -0.57 0.00 0.00 179.45 180.75 1ujk n GLN 142 N -3.49 1.61 -0.78 3.15 6.02 -0.34 -4.90 117.38 118.64 1ujk n GLN 142 Ca -0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 1ujk n GLN 142 Cb 0.77 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.60 1ujk n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujk n GLY 143 N 1.12 0.85 0.17 1.08 0.00 -1.12 -4.91 105.19 102.38 1ujk n GLY 143 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 1ujk n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ujk h ILE 144 N 0.00 1.27 -3.61 -0.61 1.08 -0.83 -3.41 117.51 111.40 1ujk h ILE 144 Ca 0.00 -1.03 -0.62 0.00 -0.39 0.00 0.00 64.86 62.81 1ujk h ILE 144 Cb 0.00 1.40 -0.15 0.00 -3.07 0.00 0.00 36.82 35.00 1ujk h ILE 144 CO 0.00 0.33 -0.51 -0.69 -0.69 0.00 0.00 178.15 176.58 1ujk s VAL 145 N -4.84 5.29 -1.68 1.67 1.01 -0.53 -4.95 120.40 116.38 1ujk s VAL 145 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1ujk s VAL 145 Cb 0.08 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1ujk s VAL 145 CO 0.77 0.34 0.42 0.29 0.00 0.00 0.00 175.10 176.91