#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujk s GLU 8 N 0.00 4.22 0.89 -0.52 2.56 -1.26 -4.99 118.70 119.61 1ujk s GLU 8 Ca 0.00 2.35 -0.12 0.00 0.00 0.00 0.00 54.97 57.21 1ujk s GLU 8 Cb 0.00 -3.14 0.13 0.00 2.00 0.00 0.00 34.13 33.12 1ujk s GLU 8 CO 0.00 -0.56 1.09 0.95 -0.56 0.00 0.00 175.26 176.18 1ujk s THR 9 N 0.83 2.63 0.23 -1.70 -4.23 -1.26 -4.82 115.64 107.32 1ujk s THR 9 Ca 0.67 0.20 -0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1ujk s THR 9 Cb -0.43 -2.74 0.16 0.00 1.34 0.00 0.00 72.50 70.82 1ujk s THR 9 CO 0.35 -0.27 1.79 -0.07 -0.54 0.00 0.00 174.62 175.88 1ujk h LEU 10 N -1.51 1.03 0.05 4.79 3.38 -1.95 -1.00 115.31 120.10 1ujk h LEU 10 Ca -0.50 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.32 1ujk h LEU 10 Cb 1.29 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ujk h LEU 10 CO 0.56 0.92 -0.11 -0.33 0.09 0.00 0.00 178.44 179.57 1ujk h GLU 11 N 1.08 -0.21 -0.75 1.13 3.07 -1.98 0.27 114.58 117.19 1ujk h GLU 11 Ca 0.25 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.13 1ujk h GLU 11 Cb 0.23 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 1ujk h GLU 11 CO -0.02 -0.14 0.50 0.00 -1.40 0.00 0.00 179.01 177.95 1ujk h ALA 12 N 0.70 0.95 -0.04 3.43 0.00 -1.87 -0.20 119.26 122.23 1ujk h ALA 12 Ca 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ujk h ALA 12 Cb 0.24 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ujk h ALA 12 CO -0.08 0.37 0.01 0.00 0.00 0.00 0.00 179.25 179.55 1ujk h ARG 13 N 1.02 0.06 -0.18 0.00 2.47 -0.74 -2.61 114.38 114.40 1ujk h ARG 13 Ca 0.27 -0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.89 1ujk h ARG 13 Cb -0.12 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 1ujk h ARG 13 CO -0.06 0.26 -0.30 0.97 0.56 0.00 0.00 179.97 181.40 1ujk h ILE 14 N -0.16 1.27 -0.28 2.04 2.10 -0.29 0.68 117.51 122.87 1ujk h ILE 14 Ca 0.01 -1.30 -0.10 0.00 1.08 0.00 0.00 64.86 64.55 1ujk h ILE 14 Cb 0.23 1.47 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 1ujk h ILE 14 CO 0.00 0.40 -0.24 0.78 -1.08 0.00 0.00 178.15 178.01 1ujk h ASN 15 N 0.30 0.54 0.12 2.19 2.35 -1.00 -0.60 115.58 119.49 1ujk h ASN 15 Ca 0.04 -0.18 -0.29 0.00 -0.55 0.00 0.00 56.30 55.32 1ujk h ASN 15 Cb 0.69 -0.15 0.03 0.00 0.05 0.00 0.00 38.32 38.94 1ujk h ASN 15 CO 0.05 0.78 -1.20 0.03 -1.65 0.00 0.00 177.43 175.44 1ujk h ARG 16 N 0.48 0.61 0.00 0.81 3.08 -1.19 -2.36 114.38 115.81 1ujk h ARG 16 Ca 0.07 -0.81 -0.04 0.00 0.07 0.00 0.00 59.98 59.27 1ujk h ARG 16 Cb 0.67 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1ujk h ARG 16 CO 0.05 1.37 -0.17 0.00 -1.07 0.00 0.00 179.97 180.14 1ujk h ALA 17 N 0.27 1.43 -0.13 0.04 0.00 -0.69 -3.02 119.26 117.16 1ujk h ALA 17 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ujk h ALA 17 Cb 1.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ujk h ALA 17 CO 0.23 0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1ujk n THR 18 N -3.92 1.60 -1.68 0.00 -2.24 -0.25 -4.71 114.28 103.07 1ujk n THR 18 Ca -0.02 -1.62 -0.44 0.00 -2.27 0.00 0.00 64.05 59.70 1ujk n THR 18 Cb 0.26 0.08 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.60 3.80 0.18 3.42 2.85 -0.89 -4.41 115.26 119.61 1ujk n ASN 19 Ca 0.12 0.99 0.11 0.00 -0.11 0.00 0.00 54.58 55.69 1ujk n ASN 19 Cb 0.57 -1.49 0.58 0.00 1.24 0.00 0.00 39.78 40.68 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 8.58 0.00 -0.00 1.20 0.11 -1.89 -1.10 132.00 138.89 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ujk h PRO 20 CO 0.94 0.00 -0.47 1.28 -0.21 0.00 0.00 178.00 179.54 1ujk n LEU 21 N -2.27 0.50 -4.71 2.35 4.77 -1.26 -4.93 117.00 111.44 1ujk n LEU 21 Ca -0.01 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1ujk n LEU 21 Cb 0.11 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1ujk n LEU 21 CO 0.09 0.12 1.22 0.59 -1.33 0.00 0.00 177.39 178.09 1ujk n ASN 22 N -1.46 3.55 0.12 -1.43 3.02 -0.42 -4.87 115.26 113.77 1ujk n ASN 22 Ca 0.06 1.12 0.03 0.00 -0.03 0.00 0.00 54.58 55.76 1ujk n ASN 22 Cb 0.34 -1.53 0.01 0.00 -0.61 0.00 0.00 39.78 37.99 1ujk n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ujk h LYS 23 N 5.33 0.00 -3.46 3.52 1.79 -1.91 -3.47 116.57 118.36 1ujk h LYS 23 Ca -0.45 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 57.99 1ujk h LYS 23 Cb 1.23 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.81 1ujk h LYS 23 CO 0.84 0.38 -0.01 -1.83 -1.08 0.00 0.00 179.45 177.75 1ujk s GLU 24 N -3.00 1.65 0.36 3.15 -1.05 -1.26 -5.14 118.70 113.41 1ujk s GLU 24 Ca 0.02 -1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 53.36 1ujk s GLU 24 Cb 0.08 0.51 -0.11 0.00 -0.44 0.00 0.00 34.13 34.17 1ujk s GLU 24 CO 0.76 -0.71 1.53 -0.51 0.95 0.00 0.00 175.26 177.28 1ujk s LEU 25 N -3.00 4.32 -0.86 1.83 1.43 -1.26 -4.94 118.68 116.19 1ujk s LEU 25 Ca 0.19 3.05 -0.07 0.00 -1.03 0.00 0.00 54.13 56.27 1ujk s LEU 25 Cb -0.02 -3.66 0.22 0.00 0.03 0.00 0.00 46.19 42.76 1ujk s LEU 25 CO 0.09 -0.91 0.77 -0.62 0.23 0.00 0.00 176.35 175.91 1ujk s ASP 26 N 0.06 6.35 0.48 2.29 2.15 -1.26 -4.93 116.67 121.82 1ujk s ASP 26 Ca 0.56 -3.19 0.16 0.00 0.43 0.00 0.00 52.55 50.51 1ujk s ASP 26 Cb -0.47 -2.06 1.15 0.00 -0.30 0.00 0.00 42.92 41.24 1ujk s ASP 26 CO 0.59 -0.37 2.06 -0.50 -0.17 0.00 0.00 175.17 176.79 1ujk h TRP 27 N 6.92 0.00 -0.56 -5.34 4.06 -1.97 0.41 115.95 119.46 1ujk h TRP 27 Ca 0.11 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.07 1ujk h TRP 27 Cb 0.93 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.06 1ujk h TRP 27 CO 0.83 0.10 0.37 0.00 -3.56 0.00 0.00 178.44 176.18 1ujk h ALA 28 N 1.90 0.72 0.05 1.49 0.00 -1.98 0.71 119.26 122.14 1ujk h ALA 28 Ca -0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 1ujk h ALA 28 Cb 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ujk h ALA 28 CO 0.01 0.15 -1.09 0.77 0.00 0.00 0.00 179.25 179.09 1ujk h SER 29 N 0.76 0.74 0.83 0.00 0.02 -1.71 -0.61 113.55 113.57 1ujk h SER 29 Ca 0.21 -0.63 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 1ujk h SER 29 Cb -0.08 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.24 1ujk h SER 29 CO -0.05 1.44 -0.40 0.40 -1.14 0.00 0.00 176.83 177.08 1ujk h ILE 30 N 0.28 0.05 0.00 3.27 2.04 -0.72 -0.95 117.51 121.49 1ujk h ILE 30 Ca -0.13 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1ujk h ILE 30 Cb 1.74 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 1ujk h ILE 30 CO 0.20 0.00 -0.21 0.78 0.00 0.00 0.00 178.15 178.93 1ujk h ASN 31 N -1.26 0.00 -0.12 1.72 2.35 -0.99 -2.34 115.58 114.93 1ujk h ASN 31 Ca -0.11 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.55 1ujk h ASN 31 Cb 0.86 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1ujk h ASN 31 CO 0.19 0.21 -0.20 1.23 -1.65 0.00 0.00 177.43 177.20 1ujk h GLY 32 N 1.60 0.58 0.86 2.83 0.00 -0.95 -0.83 103.07 107.15 1ujk h GLY 32 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1ujk h GLY 32 CO 0.03 0.41 0.06 -2.75 0.00 0.00 0.00 176.54 174.29 1ujk h PHE 33 N 0.48 0.33 -0.47 5.60 3.04 -0.62 -0.75 116.94 124.56 1ujk h PHE 33 Ca 0.08 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1ujk h PHE 33 Cb 0.62 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.01 1ujk h PHE 33 CO 0.02 0.42 0.25 0.00 -2.02 0.00 0.00 178.31 176.98 1ujk h GLU 35 N 0.62 0.22 -0.55 0.00 5.08 -0.99 -2.26 114.58 116.70 1ujk h GLU 35 Ca 0.17 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1ujk h GLU 35 Cb 0.07 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1ujk h GLU 35 CO -0.02 0.15 0.04 0.37 -1.00 0.00 0.00 179.01 178.54 1ujk h GLN 36 N 0.23 0.95 0.00 2.33 5.75 -0.82 -2.21 115.11 121.34 1ujk h GLN 36 Ca 0.15 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 1ujk h GLN 36 Cb 0.13 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1ujk h GLN 36 CO -0.16 0.94 -0.26 1.37 -2.65 0.00 0.00 178.83 178.06 1ujk h LEU 37 N 0.83 0.00 -0.36 -2.39 8.10 -1.05 -2.05 115.31 118.39 1ujk h LEU 37 Ca 0.16 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.05 1ujk h LEU 37 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1ujk h LEU 37 CO 0.02 0.26 -0.47 -1.13 -4.11 0.00 0.00 178.44 173.01 1ujk h ASN 38 N 0.00 0.00 0.03 0.17 -1.24 -1.13 -3.31 115.58 110.10 1ujk h ASN 38 Ca -0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 1ujk h ASN 38 Cb 0.54 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.60 1ujk h ASN 38 CO 0.03 0.47 -0.47 -0.08 -1.29 0.00 0.00 177.43 176.09 1ujk h GLU 39 N 0.00 0.28 -6.52 6.67 4.81 -0.76 -3.45 114.58 115.60 1ujk h GLU 39 Ca -0.00 -0.33 -0.52 0.00 -0.13 0.00 0.00 59.36 58.37 1ujk h GLU 39 Cb 1.21 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.67 1ujk h GLU 39 CO 0.06 1.06 0.25 -0.51 -0.73 0.00 0.00 179.01 179.14 1ujk s ASP 40 N -6.60 7.42 0.28 1.04 -0.00 -0.98 -4.97 116.67 112.88 1ujk s ASP 40 Ca -0.15 1.69 0.01 0.00 -0.00 0.00 0.00 52.55 54.11 1ujk s ASP 40 Cb 0.02 -2.53 0.41 0.00 -0.00 0.00 0.00 42.92 40.82 1ujk s ASP 40 CO 0.79 0.09 1.75 0.15 -0.00 0.00 0.00 175.17 177.95 1ujk h PHE 41 N 4.90 0.63 -0.48 4.23 3.57 -1.87 -1.77 116.94 126.15 1ujk h PHE 41 Ca -0.45 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1ujk h PHE 41 Cb 1.21 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1ujk h PHE 41 CO 0.64 0.70 0.00 0.39 -2.23 0.00 0.00 178.31 177.81 1ujk n GLU 42 N -4.17 2.11 0.19 1.11 -0.58 -1.26 -4.49 120.64 113.55 1ujk n GLU 42 Ca 0.01 -1.73 -0.15 0.00 -0.42 0.00 0.00 57.16 54.87 1ujk n GLU 42 Cb 0.35 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.77 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 4.95 -0.45 0.21 0.62 0.00 -1.48 -3.16 103.07 103.75 1ujk h GLY 43 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1ujk h GLY 43 CO 0.00 -0.16 -0.17 -2.55 0.00 0.00 0.00 176.54 173.66 1ujk h PRO 44 N -0.49 -0.13 -0.89 4.80 0.11 -1.77 0.86 132.00 134.49 1ujk h PRO 44 Ca -0.04 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1ujk h PRO 44 Cb 0.37 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.46 1ujk h PRO 44 CO 0.07 -0.08 0.50 -1.35 -0.21 0.00 0.00 178.00 176.93 1ujk h PRO 45 N -0.13 1.24 -0.37 1.05 0.11 -1.89 -1.63 132.00 130.37 1ujk h PRO 45 Ca 0.16 -0.14 -0.15 0.00 0.11 0.00 0.00 66.00 65.98 1ujk h PRO 45 Cb 0.37 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1ujk h PRO 45 CO -0.38 0.89 -0.36 1.25 -0.21 0.00 0.00 178.00 179.20 1ujk h LEU 46 N 1.24 0.91 -0.60 2.35 7.12 -1.44 -2.83 115.31 122.06 1ujk h LEU 46 Ca 0.32 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1ujk h LEU 46 Cb 0.01 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 39.85 1ujk h LEU 46 CO -0.05 1.17 0.38 0.00 -0.13 0.00 0.00 178.44 179.81 1ujk h ALA 47 N 0.88 0.76 -0.41 1.25 0.00 -0.36 -1.48 119.26 119.89 1ujk h ALA 47 Ca 0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1ujk h ALA 47 Cb 0.92 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ujk h ALA 47 CO 0.09 0.21 -0.10 1.79 0.00 0.00 0.00 179.25 181.23 1ujk h THR 48 N 0.81 1.25 -0.44 0.00 1.35 -1.27 0.10 112.91 114.72 1ujk h THR 48 Ca 0.22 -1.13 -0.08 0.00 -0.55 0.00 0.00 66.41 64.88 1ujk h THR 48 Cb -0.07 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 1ujk h THR 48 CO -0.05 0.38 -0.02 0.03 -0.25 0.00 0.00 175.52 175.61 1ujk h ARG 49 N 0.66 0.79 -0.38 4.72 3.08 -1.24 0.07 114.38 122.08 1ujk h ARG 49 Ca 0.12 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1ujk h ARG 49 Cb 0.56 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1ujk h ARG 49 CO 0.03 0.87 0.04 -0.07 -1.07 0.00 0.00 179.97 179.77 1ujk h LEU 50 N 0.63 0.62 -0.47 3.04 3.38 -1.08 -3.00 115.31 118.43 1ujk h LEU 50 Ca 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1ujk h LEU 50 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1ujk h LEU 50 CO 0.03 0.74 0.20 -0.07 0.09 0.00 0.00 178.44 179.43 1ujk h LEU 51 N 0.48 0.64 -0.80 1.67 3.38 -0.86 -2.75 115.31 117.07 1ujk h LEU 51 Ca 0.11 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1ujk h LEU 51 Cb 0.40 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1ujk h LEU 51 CO 0.01 0.62 0.42 0.00 0.09 0.00 0.00 178.44 179.59 1ujk h ALA 52 N 1.04 1.14 -0.33 1.53 0.00 -0.92 0.11 119.26 121.84 1ujk h ALA 52 Ca 0.16 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ujk h ALA 52 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ujk h ALA 52 CO -0.02 0.00 -0.05 1.25 0.00 0.00 0.00 179.25 180.44 1ujk h HIS 53 N 0.68 0.68 -0.83 0.00 -0.00 -1.38 -2.71 115.15 111.60 1ujk h HIS 53 Ca 0.40 -0.14 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 1ujk h HIS 53 Cb 0.45 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.65 1ujk h HIS 53 CO -0.08 0.76 0.36 0.87 -0.00 0.00 0.00 177.93 179.84 1ujk h LYS 54 N 0.40 1.22 0.00 5.26 1.79 -1.11 -2.43 116.57 121.69 1ujk h LYS 54 Ca 0.09 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 1ujk h LYS 54 Cb 0.53 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 1ujk h LYS 54 CO 0.03 0.96 -0.18 0.82 -1.08 0.00 0.00 179.45 180.00 1ujk h ILE 55 N 1.19 0.92 -0.41 1.86 2.04 -0.92 -1.88 117.51 120.31 1ujk h ILE 55 Ca 0.28 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ujk h ILE 55 Cb 0.17 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1ujk h ILE 55 CO -0.03 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.30 1ujk n GLN 56 N -4.02 2.23 -2.13 2.37 6.02 -0.92 -4.78 117.38 116.15 1ujk n GLN 56 Ca -0.02 -1.59 -0.40 0.00 -0.01 0.00 0.00 57.00 54.97 1ujk n GLN 56 Cb 0.26 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 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 -0.90 6.64 0.52 1.08 0.15 -0.71 -4.90 113.70 115.59 1ujk s SER 57 Ca 0.29 2.64 0.32 0.00 0.70 0.00 0.00 55.95 59.90 1ujk s SER 57 Cb 0.17 -2.64 1.28 0.00 -1.71 0.00 0.00 66.02 63.11 1ujk s SER 57 CO 0.18 -0.62 1.94 -0.65 1.20 0.00 0.00 173.24 175.29 1ujk h PRO 58 N 3.14 0.00 -5.75 5.44 0.11 -1.92 -3.40 132.00 129.62 1ujk h PRO 58 Ca -0.49 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.00 1ujk h PRO 58 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1ujk h PRO 58 CO 0.64 0.00 0.46 -0.65 -0.21 0.00 0.00 178.00 178.24 1ujk s GLN 59 N -3.61 3.33 0.27 1.05 -0.21 -1.26 -4.94 119.66 114.29 1ujk s GLN 59 Ca 0.02 -0.28 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 1ujk s GLN 59 Cb 0.09 -4.03 0.56 0.00 1.00 0.00 0.00 33.01 30.63 1ujk s GLN 59 CO 0.54 -1.36 1.74 1.49 -2.12 0.00 0.00 175.29 175.57 1ujk h GLU 60 N 9.19 0.50 -0.13 2.91 4.81 -1.99 -1.31 114.58 128.56 1ujk h GLU 60 Ca -0.26 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 1ujk h GLU 60 Cb 1.08 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1ujk h GLU 60 CO 1.04 0.33 -0.17 2.35 -0.73 0.00 0.00 179.01 181.83 1ujk h TRP 61 N 0.52 0.23 -0.25 0.92 -0.00 -1.95 0.28 115.95 115.70 1ujk h TRP 61 Ca 0.48 -0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 59.27 1ujk h TRP 61 Cb 0.75 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 29.84 1ujk h TRP 61 CO -0.12 0.39 -0.10 1.49 -0.00 0.00 0.00 178.44 180.09 1ujk h GLU 62 N 0.20 0.51 -0.32 2.65 4.81 -1.46 -2.03 114.58 118.93 1ujk h GLU 62 Ca 0.04 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 59.03 1ujk h GLU 62 Cb 0.43 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ujk h GLU 62 CO 0.03 0.76 0.09 0.00 -0.73 0.00 0.00 179.01 179.15 1ujk h ALA 63 N 0.74 0.42 -0.60 2.92 0.00 -0.92 -1.49 119.26 120.33 1ujk h ALA 63 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ujk h ALA 63 Cb 0.59 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1ujk h ALA 63 CO 0.03 0.07 0.31 0.82 0.00 0.00 0.00 179.25 180.49 1ujk h ILE 64 N 0.36 1.20 -0.29 0.00 1.08 -0.46 -0.66 117.51 118.75 1ujk h ILE 64 Ca 0.10 -0.55 -0.09 0.00 -0.39 0.00 0.00 64.86 63.94 1ujk h ILE 64 Cb 0.27 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.47 1ujk h ILE 64 CO -0.00 0.23 -0.20 1.56 -0.69 0.00 0.00 178.15 179.04 1ujk h GLN 65 N 0.82 0.53 -0.77 2.37 4.20 -1.30 -1.45 115.11 119.49 1ujk h GLN 65 Ca 0.21 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1ujk h GLN 65 Cb 0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1ujk h GLN 65 CO -0.03 0.70 0.32 0.00 -0.67 0.00 0.00 178.83 179.15 1ujk h ALA 66 N 1.31 1.00 -0.10 3.87 0.00 -0.68 -0.67 119.26 123.99 1ujk h ALA 66 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1ujk h ALA 66 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ujk h ALA 66 CO 0.04 0.61 -0.38 -0.07 0.00 0.00 0.00 179.25 179.45 1ujk h LEU 67 N 1.11 0.21 -0.64 0.00 3.38 -0.72 -0.66 115.31 117.99 1ujk h LEU 67 Ca 0.26 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1ujk h LEU 67 Cb 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ujk h LEU 67 CO -0.02 0.58 -0.14 0.74 0.09 0.00 0.00 178.44 179.69 1ujk h THR 68 N 0.18 1.27 -0.19 0.22 2.02 -0.56 0.89 112.91 116.73 1ujk h THR 68 Ca 0.02 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1ujk h THR 68 Cb 0.76 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1ujk h THR 68 CO 0.06 0.44 0.06 0.58 0.37 0.00 0.00 175.52 177.02 1ujk h VAL 69 N 0.82 1.19 -0.23 3.16 2.07 -0.59 -0.04 116.25 122.63 1ujk h VAL 69 Ca 0.13 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1ujk h VAL 69 Cb 0.68 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1ujk h VAL 69 CO 0.05 0.19 0.06 0.25 0.02 0.00 0.00 177.57 178.13 1ujk h LEU 70 N 0.13 0.04 -0.54 2.57 5.85 -0.94 0.09 115.31 122.50 1ujk h LEU 70 Ca 0.06 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1ujk h LEU 70 Cb 0.24 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ujk h LEU 70 CO -0.00 0.05 0.33 -0.08 -0.34 0.00 0.00 178.44 178.40 1ujk h GLU 71 N 0.15 0.63 0.25 1.25 4.81 -0.70 -1.30 114.58 119.67 1ujk h GLU 71 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1ujk h GLU 71 Cb 0.09 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1ujk h GLU 71 CO -0.12 0.42 -0.12 1.15 -0.73 0.00 0.00 179.01 179.60 1ujk h THR 72 N 0.65 0.79 0.00 0.32 2.02 -0.49 -2.65 112.91 113.55 1ujk h THR 72 Ca 0.22 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1ujk h THR 72 Cb 0.02 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1ujk h THR 72 CO -0.10 0.05 -0.25 0.00 0.37 0.00 0.00 175.52 175.60 1ujk h MET 74 N 0.00 0.80 0.02 0.00 2.07 -1.14 0.58 114.93 117.26 1ujk h MET 74 Ca -0.00 -0.34 -0.23 0.00 -2.07 0.00 0.00 59.70 57.05 1ujk h MET 74 Cb 0.54 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.25 1ujk h MET 74 CO 0.03 0.97 -0.98 0.87 1.07 0.00 0.00 176.91 178.87 1ujk h LYS 75 N 0.69 0.39 0.10 1.72 1.57 -1.08 -3.38 116.57 116.58 1ujk h LYS 75 Ca 0.09 -0.44 -0.35 0.00 -1.87 0.00 0.00 60.65 58.08 1ujk h LYS 75 Cb 0.78 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 1ujk h LYS 75 CO 0.06 1.12 -1.96 -1.13 -0.57 0.00 0.00 179.45 176.97 1ujk n SER 76 N -3.72 1.85 -4.08 0.86 3.41 -0.41 -4.99 113.62 106.54 1ujk n SER 76 Ca -0.07 0.24 -0.29 0.00 -0.26 0.00 0.00 58.87 58.49 1ujk n SER 76 Cb 0.86 -0.67 0.19 0.00 -0.26 0.00 0.00 64.21 64.33 1ujk n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ujk n GLY 78 N -3.71 3.20 0.23 0.00 0.00 -1.26 -4.90 105.19 98.75 1ujk n GLY 78 Ca 0.17 -1.95 0.01 0.00 0.00 0.00 0.00 46.02 44.24 1ujk n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ujk h LYS 79 N 0.00 0.20 -0.32 1.61 3.64 -1.99 -0.99 116.57 118.73 1ujk h LYS 79 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ujk h LYS 79 Cb 0.00 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 1ujk h LYS 79 CO 0.00 0.14 0.01 0.00 -2.27 0.00 0.00 179.45 177.32 1ujk h ARG 80 N 0.21 0.10 -0.30 1.90 3.08 -1.99 0.16 114.38 117.53 1ujk h ARG 80 Ca 0.32 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.25 1ujk h ARG 80 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1ujk h ARG 80 CO -0.44 0.06 -0.26 0.35 -1.07 0.00 0.00 179.97 178.61 1ujk h PHE 81 N 0.10 0.85 -0.91 3.04 3.57 -1.85 -2.50 116.94 119.24 1ujk h PHE 81 Ca 0.15 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.45 1ujk h PHE 81 Cb 0.20 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1ujk h PHE 81 CO -0.22 0.99 0.59 0.45 -2.23 0.00 0.00 178.31 177.88 1ujk h HIS 82 N 0.47 1.09 -0.10 0.41 3.86 -0.84 -1.56 115.15 118.48 1ujk h HIS 82 Ca 0.05 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.18 1ujk h HIS 82 Cb 0.82 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1ujk h HIS 82 CO 0.07 0.60 -0.45 -0.44 0.86 0.00 0.00 177.93 178.57 1ujk h ASP 83 N 1.11 0.25 -0.24 2.45 3.45 -0.61 -0.24 116.42 122.59 1ujk h ASP 83 Ca 0.38 -0.11 -0.14 0.00 0.43 0.00 0.00 57.03 57.59 1ujk h ASP 83 Cb 0.07 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1ujk h ASP 83 CO -0.14 0.67 -0.38 -0.33 -1.57 0.00 0.00 179.24 177.49 1ujk h GLU 84 N 0.19 0.68 0.00 3.56 4.39 -0.95 -2.83 114.58 119.63 1ujk h GLU 84 Ca 0.01 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 1ujk h GLU 84 Cb 0.88 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1ujk h GLU 84 CO 0.07 1.03 -0.40 0.28 -1.16 0.00 0.00 179.01 178.83 1ujk h VAL 85 N 0.40 1.20 -0.07 3.13 2.07 -1.23 -3.00 116.25 118.75 1ujk h VAL 85 Ca 0.02 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 1ujk h VAL 85 Cb 0.97 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1ujk h VAL 85 CO 0.09 0.39 0.02 0.61 0.02 0.00 0.00 177.57 178.70 1ujk n GLY 86 N -0.26 1.87 3.53 2.17 0.00 -0.11 -4.22 105.19 108.17 1ujk n GLY 86 Ca -0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.83 2.04 0.54 1.61 1.02 -1.13 -4.49 119.74 118.49 1ujk s LYS 87 Ca 0.05 -1.05 0.29 0.00 0.02 0.00 0.00 55.97 55.28 1ujk s LYS 87 Cb 0.04 -2.24 1.56 0.00 -0.52 0.00 0.00 37.83 36.67 1ujk s LYS 87 CO 0.01 0.51 2.12 0.74 -0.92 0.00 0.00 175.35 177.81 1ujk h PHE 88 N 3.85 0.00 -0.92 3.18 0.04 -1.90 -0.08 116.94 121.12 1ujk h PHE 88 Ca -0.49 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.47 1ujk h PHE 88 Cb 1.17 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.24 1ujk h PHE 88 CO 0.59 0.09 0.60 -0.09 -0.60 0.00 0.00 178.31 178.89 1ujk h ARG 89 N 0.00 0.49 0.02 1.51 2.43 -1.94 0.16 114.38 117.05 1ujk h ARG 89 Ca -0.00 -0.03 -0.40 0.00 -0.81 0.00 0.00 59.98 58.74 1ujk h ARG 89 Cb 0.26 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1ujk h ARG 89 CO 0.01 0.32 -2.32 0.34 -1.51 0.00 0.00 179.97 176.82 1ujk n PHE 90 N -4.55 0.28 -0.13 2.20 7.35 -0.41 -4.40 117.46 117.80 1ujk n PHE 90 Ca 0.20 0.08 0.08 0.00 -0.76 0.00 0.00 57.45 57.05 1ujk n PHE 90 Cb 0.65 -1.03 0.40 0.00 0.35 0.00 0.00 39.48 39.85 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 -0.42 0.56 -1.78 -2.13 3.38 -0.85 0.05 115.31 114.12 1ujk h LEU 91 Ca -0.58 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1ujk h LEU 91 Cb 1.77 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1ujk h LEU 91 CO -0.19 0.36 0.00 0.78 0.09 0.00 0.00 178.44 179.48 1ujk h ASN 92 N 0.63 0.12 0.34 -0.43 2.35 -0.89 -0.21 115.58 117.49 1ujk h ASN 92 Ca 0.28 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 1ujk h ASN 92 Cb 0.30 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1ujk h ASN 92 CO -0.09 0.15 -0.44 -0.33 -1.65 0.00 0.00 177.43 175.06 1ujk h GLU 93 N 0.13 0.13 0.05 0.81 4.39 -1.19 -1.36 114.58 117.55 1ujk h GLU 93 Ca 0.03 -0.06 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 1ujk h GLU 93 Cb 0.09 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1ujk h GLU 93 CO 0.00 0.56 -1.08 -0.07 -1.16 0.00 0.00 179.01 177.26 1ujk h LEU 94 N 0.11 0.65 -0.86 1.33 3.38 -1.14 -3.18 115.31 115.60 1ujk h LEU 94 Ca 0.01 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1ujk h LEU 94 Cb 0.83 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1ujk h LEU 94 CO 0.06 1.38 0.52 0.40 0.09 0.00 0.00 178.44 180.90 1ujk h ILE 95 N 0.24 1.24 -0.61 1.22 2.04 -0.85 -1.99 117.51 118.80 1ujk h ILE 95 Ca -0.12 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.25 1ujk h ILE 95 Cb 1.74 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1ujk h ILE 95 CO 0.19 0.25 0.40 0.11 0.00 0.00 0.00 178.15 179.11 1ujk h LYS 96 N 1.19 0.69 -0.18 2.37 1.57 -1.26 0.15 116.57 121.11 1ujk h LYS 96 Ca 0.31 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1ujk h LYS 96 Cb -0.05 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1ujk h LYS 96 CO -0.06 0.46 -0.38 0.28 -0.57 0.00 0.00 179.45 179.18 1ujk h VAL 97 N 0.71 1.34 0.00 0.50 2.07 -1.35 0.90 116.25 120.42 1ujk h VAL 97 Ca 0.24 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1ujk h VAL 97 Cb 0.08 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1ujk h VAL 97 CO -0.07 0.50 -0.61 -0.37 0.02 0.00 0.00 177.57 177.04 1ujk h VAL 98 N 0.23 0.00 -3.35 2.57 -1.51 -1.25 -2.88 116.25 110.05 1ujk h VAL 98 Ca 0.00 -0.56 -0.57 0.00 -1.23 0.00 0.00 66.70 64.35 1ujk h VAL 98 Cb 0.98 1.17 -0.06 0.00 -2.13 0.00 0.00 31.29 31.25 1ujk h VAL 98 CO 0.08 0.00 0.22 -0.55 -1.23 0.00 0.00 177.57 176.10 1ujk s SER 99 N -4.43 7.00 0.54 4.19 0.15 0.02 -4.65 113.70 116.52 1ujk s SER 99 Ca 0.06 1.21 0.22 0.00 0.70 0.00 0.00 55.95 58.14 1ujk s SER 99 Cb 0.13 -2.44 1.40 0.00 -1.71 0.00 0.00 66.02 63.40 1ujk s SER 99 CO 0.72 -0.24 2.10 -0.65 1.20 0.00 0.00 173.24 176.37 1ujk h PRO 100 N 7.01 0.00 0.00 5.44 0.11 -1.89 0.56 132.00 143.22 1ujk h PRO 100 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ujk h PRO 100 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ujk h PRO 100 CO 0.78 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.44 1ujk h LYS 101 N 0.00 0.00 0.00 1.05 1.57 -1.93 -3.39 116.57 113.87 1ujk h LYS 101 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ujk h LYS 101 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 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 -2.46 0.00 1.03 -1.35 4.02 -0.05 -4.98 117.16 113.36 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 0.19 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.54 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 1.19 -0.27 7.72 4.77 0.31 -4.57 117.00 126.15 1ujk n LEU 103 Ca 0.00 -0.46 0.08 0.00 -0.03 0.00 0.00 56.01 55.60 1ujk n LEU 103 Cb 0.00 -0.05 0.21 0.00 -2.33 0.00 0.00 43.42 41.25 1ujk n LEU 103 CO 0.00 0.26 0.91 1.23 -1.33 0.00 0.00 177.39 178.45 1ujk h GLY 104 N 4.95 1.10 1.78 -0.72 0.00 -0.76 -0.08 103.07 109.35 1ujk h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 -5.23 0.00 -0.25 0.19 3.41 -1.26 -2.49 113.62 107.99 1ujk n SER 105 Ca 0.17 0.27 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 1ujk n SER 105 Cb 0.55 -0.39 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.39 1.19 -4.47 4.33 3.00 -0.08 -5.01 116.66 114.24 1ujk n ARG 106 Ca 0.06 -1.24 -0.33 0.00 -0.01 0.00 0.00 57.85 56.32 1ujk n ARG 106 Cb 0.16 -1.11 -0.10 0.00 0.00 0.00 0.00 32.46 31.40 1ujk n ARG 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1ujk s THR 107 N -0.69 3.92 0.62 0.55 2.01 -0.96 -5.08 115.64 116.00 1ujk s THR 107 Ca 0.08 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.39 1ujk s THR 107 Cb 0.05 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1ujk s THR 107 CO 0.07 0.51 1.17 -0.94 -0.69 0.00 0.00 174.62 174.74 1ujk s SER 108 N -1.11 5.12 0.47 3.53 1.04 -1.26 -4.87 113.70 116.62 1ujk s SER 108 Ca 0.15 2.26 0.15 0.00 0.48 0.00 0.00 55.95 58.98 1ujk s SER 108 Cb -0.11 -2.58 1.07 0.00 0.10 0.00 0.00 66.02 64.50 1ujk s SER 108 CO 0.05 -1.63 2.04 -0.33 0.98 0.00 0.00 173.24 174.34 1ujk h GLU 109 N 0.59 0.02 -0.11 4.02 5.08 -1.98 -1.98 114.58 120.21 1ujk h GLU 109 Ca -0.49 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1ujk h GLU 109 Cb 1.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1ujk h GLU 109 CO 0.54 0.14 0.05 -0.22 -1.00 0.00 0.00 179.01 178.52 1ujk h LYS 110 N 0.02 0.10 -0.23 2.33 3.64 -1.98 0.31 116.57 120.76 1ujk h LYS 110 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ujk h LYS 110 Cb 0.22 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1ujk h LYS 110 CO 0.02 0.07 -0.05 0.28 -2.27 0.00 0.00 179.45 177.49 1ujk h VAL 111 N 0.10 1.28 -0.40 2.00 2.07 -1.82 -2.24 116.25 117.25 1ujk h VAL 111 Ca 0.04 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1ujk h VAL 111 Cb 0.01 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ujk h VAL 111 CO -0.04 0.32 0.15 0.11 0.02 0.00 0.00 177.57 178.13 1ujk h LYS 112 N 0.17 0.60 -0.28 1.57 1.57 -1.23 -2.16 116.57 116.82 1ujk h LYS 112 Ca 0.06 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1ujk h LYS 112 Cb 0.51 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1ujk h LYS 112 CO 0.02 0.58 -0.08 -0.91 -0.57 0.00 0.00 179.45 178.50 1ujk h ASN 113 N 0.49 0.42 -0.52 0.86 -0.26 -0.42 -1.43 115.58 114.72 1ujk h ASN 113 Ca 0.13 -0.09 -0.06 0.00 -0.56 0.00 0.00 56.30 55.72 1ujk h ASN 113 Cb 0.21 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1ujk h ASN 113 CO -0.01 0.54 0.09 0.50 -1.06 0.00 0.00 177.43 177.49 1ujk h LYS 114 N 0.42 0.87 -0.31 0.81 1.63 -1.11 -0.96 116.57 117.92 1ujk h LYS 114 Ca 0.09 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 1ujk h LYS 114 Cb 0.40 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1ujk h LYS 114 CO 0.02 0.85 0.09 0.82 -3.45 0.00 0.00 179.45 177.77 1ujk h ILE 115 N 0.75 1.21 -0.94 2.00 2.04 -0.97 -0.75 117.51 120.86 1ujk h ILE 115 Ca 0.16 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1ujk h ILE 115 Cb 0.40 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 1ujk h ILE 115 CO 0.01 0.23 0.56 -0.07 0.00 0.00 0.00 178.15 178.88 1ujk h LEU 116 N 0.34 1.13 -0.44 1.44 3.38 -1.13 -0.18 115.31 119.85 1ujk h LEU 116 Ca 0.10 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ujk h LEU 116 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ujk h LEU 116 CO -0.00 0.87 0.03 -0.08 0.09 0.00 0.00 178.44 179.35 1ujk h GLU 117 N 1.29 0.75 -0.19 1.13 4.81 -0.94 -1.95 114.58 119.49 1ujk h GLU 117 Ca 0.34 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ujk h GLU 117 Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 1ujk h GLU 117 CO -0.06 0.80 0.10 -0.07 -0.73 0.00 0.00 179.01 179.05 1ujk h LEU 118 N 0.60 0.24 -0.38 1.64 3.38 -0.62 -0.75 115.31 119.43 1ujk h LEU 118 Ca 0.13 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1ujk h LEU 118 Cb 0.44 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1ujk h LEU 118 CO 0.02 0.27 0.10 -0.07 0.09 0.00 0.00 178.44 178.84 1ujk h LEU 119 N 0.19 0.06 -0.19 1.67 3.38 -0.97 -0.90 115.31 118.55 1ujk h LEU 119 Ca 0.07 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ujk h LEU 119 Cb 0.09 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1ujk h LEU 119 CO -0.01 0.07 0.06 0.22 0.09 0.00 0.00 178.44 178.87 1ujk h TYR 120 N 0.24 0.11 -0.83 1.13 3.20 -1.16 -1.92 116.97 117.73 1ujk h TYR 120 Ca 0.18 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.15 1ujk h TYR 120 Cb 0.19 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1ujk h TYR 120 CO -0.17 0.05 0.54 0.66 -1.64 0.00 0.00 178.16 177.59 1ujk h SER 121 N 0.15 0.72 0.34 -2.11 4.64 -0.43 -1.62 113.55 115.23 1ujk h SER 121 Ca 0.08 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 1ujk h SER 121 Cb 0.06 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1ujk h SER 121 CO -0.09 0.43 -0.60 -0.50 -0.87 0.00 0.00 176.83 175.19 1ujk h TRP 122 N 0.79 0.34 0.00 4.77 6.55 -0.63 -0.31 115.95 127.46 1ujk h TRP 122 Ca 0.38 -0.13 -0.03 0.00 0.95 0.00 0.00 58.89 60.06 1ujk h TRP 122 Cb 0.41 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1ujk h TRP 122 CO -0.00 0.80 -0.14 1.79 -1.05 0.00 0.00 178.44 179.84 1ujk h THR 123 N 0.20 0.85 0.06 1.49 1.35 -0.54 0.16 112.91 116.47 1ujk h THR 123 Ca -0.01 -0.53 -0.23 0.00 -0.55 0.00 0.00 66.41 65.10 1ujk h THR 123 Cb 1.11 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1ujk h THR 123 CO 0.10 0.14 -1.20 0.58 -0.25 0.00 0.00 175.52 174.88 1ujk h VAL 124 N 0.00 1.07 0.00 6.82 2.07 -1.27 -3.34 116.25 121.60 1ujk h VAL 124 Ca -0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1ujk h VAL 124 Cb 0.30 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1ujk h VAL 124 CO 0.02 0.57 -0.42 1.23 0.02 0.00 0.00 177.57 178.98 1ujk h GLY 125 N -0.37 0.00 -5.79 2.17 0.00 -0.97 -3.38 103.07 94.73 1ujk h GLY 125 Ca -0.29 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.51 1ujk h GLY 125 CO -0.04 0.00 -0.94 1.04 0.00 0.00 0.00 176.54 176.60 1ujk n LEU 126 N -2.91 2.22 0.23 3.11 4.77 0.54 -4.93 117.00 120.03 1ujk n LEU 126 Ca 0.02 -5.23 0.18 0.00 -0.03 0.00 0.00 56.01 50.95 1ujk n LEU 126 Cb 0.54 0.15 0.87 0.00 -2.33 0.00 0.00 43.42 42.64 1ujk n LEU 126 CO 0.37 2.26 1.15 1.55 -1.33 0.00 0.00 177.39 181.38 1ujk h PRO 127 N 3.26 0.00 0.00 3.23 0.13 -1.70 -1.21 132.00 135.70 1ujk h PRO 127 Ca 0.12 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 1ujk h PRO 127 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1ujk h PRO 127 CO 0.63 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 179.14 1ujk h GLU 128 N 0.00 0.00 -4.36 0.86 3.07 -1.91 -3.33 114.58 108.91 1ujk h GLU 128 Ca 0.07 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.21 1ujk h GLU 128 Cb 0.50 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.30 1ujk h GLU 128 CO -0.00 0.20 2.31 0.39 -1.40 0.00 0.00 179.01 180.51 1ujk n GLU 129 N -3.72 3.24 0.15 2.33 -0.58 -0.46 -4.80 120.64 116.80 1ujk n GLU 129 Ca -0.01 -3.23 0.15 0.00 -0.42 0.00 0.00 57.16 53.65 1ujk n GLU 129 Cb 0.31 -3.18 0.72 0.00 -0.57 0.00 0.00 31.44 28.72 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 4.35 0.74 0.00 2.62 -1.51 -1.83 -1.48 116.25 119.15 1ujk h VAL 130 Ca 0.45 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.84 1ujk h VAL 130 Cb 0.72 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 1ujk h VAL 130 CO 1.61 0.00 -0.37 0.11 -1.23 0.00 0.00 177.57 177.69 1ujk h LYS 131 N 0.00 0.00 -0.41 5.19 1.57 -1.87 0.04 116.57 121.09 1ujk h LYS 131 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 1ujk h LYS 131 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ujk h LYS 131 CO -0.00 0.37 -0.09 0.82 -0.57 0.00 0.00 179.45 179.98 1ujk h ILE 132 N 0.00 1.27 -0.61 1.86 2.04 -1.51 -0.23 117.51 120.34 1ujk h ILE 132 Ca -0.00 -1.18 -0.08 0.00 1.00 0.00 0.00 64.86 64.60 1ujk h ILE 132 Cb 0.76 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1ujk h ILE 132 CO 0.05 0.40 0.07 0.00 0.00 0.00 0.00 178.15 178.67 1ujk h ALA 133 N 0.85 0.98 -0.52 1.87 0.00 -1.42 -0.59 119.26 120.44 1ujk h ALA 133 Ca 0.10 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1ujk h ALA 133 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ujk h ALA 133 CO 0.04 0.64 0.12 1.49 0.00 0.00 0.00 179.25 181.54 1ujk h GLU 134 N 0.94 0.83 -0.43 0.00 4.81 -0.75 0.17 114.58 120.15 1ujk h GLU 134 Ca 0.18 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1ujk h GLU 134 Cb 0.44 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1ujk h GLU 134 CO 0.02 0.80 0.18 0.00 -0.73 0.00 0.00 179.01 179.28 1ujk h ALA 135 N 1.00 0.56 -0.18 2.92 0.00 -0.75 -1.41 119.26 121.40 1ujk h ALA 135 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ujk h ALA 135 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ujk h ALA 135 CO 0.00 0.15 0.08 -0.92 0.00 0.00 0.00 179.25 178.57 1ujk h TYR 136 N 0.56 0.27 -1.00 0.00 3.20 -0.86 -2.29 116.97 116.83 1ujk h TYR 136 Ca 0.15 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.10 1ujk h TYR 136 Cb 0.17 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.28 1ujk h TYR 136 CO -0.00 0.30 0.64 0.37 -1.64 0.00 0.00 178.16 177.83 1ujk h GLN 137 N 0.15 1.02 -0.67 1.82 5.75 -0.50 -0.41 115.11 122.27 1ujk h GLN 137 Ca 0.06 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1ujk h GLN 137 Cb 0.14 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1ujk h GLN 137 CO -0.01 0.67 0.11 1.98 -2.65 0.00 0.00 178.83 178.94 1ujk h MET 138 N 1.05 1.11 -0.34 1.69 4.05 -0.94 0.77 114.93 122.31 1ujk h MET 138 Ca 0.48 -0.29 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1ujk h MET 138 Cb 0.40 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1ujk h MET 138 CO -0.24 1.01 -0.22 -0.07 0.23 0.00 0.00 176.91 177.63 1ujk h LEU 139 N 1.04 0.67 -0.35 3.39 3.38 -0.68 -0.84 115.31 121.92 1ujk h LEU 139 Ca 0.20 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1ujk h LEU 139 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ujk h LEU 139 CO 0.01 0.88 -0.22 0.50 0.09 0.00 0.00 178.44 179.70 1ujk h LYS 140 N 0.58 0.76 -0.90 1.13 3.64 -0.78 0.43 116.57 121.43 1ujk h LYS 140 Ca 0.09 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1ujk h LYS 140 Cb 0.69 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1ujk h LYS 140 CO 0.05 0.97 0.56 -0.22 -2.27 0.00 0.00 179.45 178.54 1ujk h LYS 141 N 0.54 1.22 -0.00 1.90 1.63 -0.59 -1.48 116.57 119.78 1ujk h LYS 141 Ca 0.07 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ujk h LYS 141 Cb 0.77 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1ujk h LYS 141 CO 0.06 0.84 -0.00 1.04 -3.45 0.00 0.00 179.45 177.94 1ujk n GLN 142 N -4.37 0.78 -0.79 1.90 6.02 -0.34 -4.90 117.38 115.68 1ujk n GLN 142 Ca 0.10 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1ujk n GLN 142 Cb 0.05 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.81 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 0.26 1.08 0.00 -0.56 -4.90 105.19 103.04 1ujk n GLY 143 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 1.28 -3.39 -0.61 1.08 -1.15 -3.41 117.51 111.31 1ujk h ILE 144 Ca 0.00 -1.42 -0.62 0.00 -0.39 0.00 0.00 64.86 62.43 1ujk h ILE 144 Cb 0.00 1.30 -0.16 0.00 -3.07 0.00 0.00 36.82 34.89 1ujk h ILE 144 CO 0.00 0.47 -0.55 -0.69 -0.69 0.00 0.00 178.15 176.69 1ujk s VAL 145 N -4.51 4.95 0.00 1.67 1.01 -0.90 -4.97 120.40 117.66 1ujk s VAL 145 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.92 1ujk s VAL 145 Cb 0.13 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1ujk s VAL 145 CO 0.84 0.42 0.00 1.17 0.00 0.00 0.00 175.10 177.53