#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k39 s GLN 2 N 0.00 3.60 0.02 2.12 1.11 -1.26 -1.81 119.66 123.43 2k39 s GLN 2 Ca 0.00 -0.12 0.02 0.00 0.01 0.00 0.00 55.36 55.27 2k39 s GLN 2 Cb 0.00 -2.72 -0.01 0.00 -1.01 0.00 0.00 33.01 29.26 2k39 s GLN 2 CO 0.00 0.29 -0.07 0.96 0.01 0.00 0.00 175.29 176.49 2k39 s ILE 3 N -1.98 0.49 -0.67 1.08 -4.36 -0.73 -3.33 121.20 111.70 2k39 s ILE 3 Ca 0.42 -0.60 -0.12 0.00 -0.26 0.00 0.00 60.65 60.09 2k39 s ILE 3 Cb -0.11 -0.48 0.17 0.00 1.25 0.00 0.00 42.46 43.29 2k39 s ILE 3 CO 0.29 -0.09 0.58 -0.36 0.24 0.00 0.00 174.94 175.61 2k39 s PHE 4 N -0.66 3.53 -0.41 1.37 0.08 -0.70 -1.93 117.98 119.26 2k39 s PHE 4 Ca -0.03 -1.90 -0.28 0.00 0.12 0.00 0.00 56.93 54.83 2k39 s PHE 4 Cb -0.05 -3.67 0.02 0.00 -0.57 0.00 0.00 43.02 38.75 2k39 s PHE 4 CO 0.00 -0.98 1.08 0.08 -0.10 0.00 0.00 175.22 175.30 2k39 s VAL 5 N 0.69 4.37 -0.18 -0.44 1.01 0.93 -3.08 120.40 123.69 2k39 s VAL 5 Ca 0.12 1.35 -0.14 0.00 0.00 0.00 0.00 61.98 63.31 2k39 s VAL 5 Cb -0.19 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2k39 s VAL 5 CO -0.04 -0.77 0.31 -0.75 0.00 0.00 0.00 175.10 173.85 2k39 s LYS 6 N 4.02 4.21 -0.08 2.72 2.20 -0.20 -0.99 119.74 131.63 2k39 s LYS 6 Ca 0.45 0.08 -0.13 0.00 -0.36 0.00 0.00 55.97 56.01 2k39 s LYS 6 Cb -0.10 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.70 2k39 s LYS 6 CO 0.24 0.13 0.32 0.95 -0.36 0.00 0.00 175.35 176.63 2k39 s THR 7 N 0.81 5.22 0.29 3.43 -4.23 -0.03 -1.25 115.64 119.89 2k39 s THR 7 Ca 0.16 0.63 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 2k39 s THR 7 Cb -0.14 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.11 2k39 s THR 7 CO 0.05 0.52 1.70 -0.07 -0.54 0.00 0.00 174.62 176.28 2k39 h LEU 8 N 5.40 0.24 -0.35 4.79 -0.00 -1.84 -3.19 115.31 120.34 2k39 h LEU 8 Ca -0.49 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.29 2k39 h LEU 8 Cb 1.21 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2k39 h LEU 8 CO 0.65 0.64 0.00 0.71 -0.00 0.00 0.00 178.44 180.44 2k39 h THR 9 N 0.19 0.00 0.00 0.22 1.35 -1.93 -3.45 112.91 109.29 2k39 h THR 9 Ca 0.02 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2k39 h THR 9 Cb 0.83 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2k39 h THR 9 CO 0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.95 2k39 n GLY 10 N 0.79 0.28 3.03 5.82 0.00 -1.21 -5.16 105.19 108.75 2k39 n GLY 10 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2k39 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 11 N 0.00 0.45 -0.15 1.61 0.00 -1.22 -5.03 119.74 115.40 2k39 s LYS 11 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 55.97 55.00 2k39 s LYS 11 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 37.83 37.84 2k39 s LYS 11 CO 0.00 -0.05 0.33 0.99 0.00 0.00 0.00 175.35 176.62 2k39 s THR 12 N -2.18 5.28 -0.13 3.79 2.01 -1.26 -0.85 115.64 122.30 2k39 s THR 12 Ca -0.08 0.63 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 2k39 s THR 12 Cb -0.05 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2k39 s THR 12 CO -0.03 0.37 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.61 2k39 s ILE 13 N 0.51 3.93 -0.18 1.82 1.01 -0.16 -4.96 121.20 123.17 2k39 s ILE 13 Ca 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 2k39 s ILE 13 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2k39 s ILE 13 CO 0.05 0.52 0.42 -0.89 0.00 0.00 0.00 174.94 175.04 2k39 s THR 14 N 0.03 5.20 -0.07 2.92 2.01 -1.26 -0.05 115.64 124.42 2k39 s THR 14 Ca 0.00 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.79 2k39 s THR 14 Cb -0.13 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2k39 s THR 14 CO 0.03 0.27 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.33 2k39 s LEU 15 N 1.17 2.76 -0.14 4.42 1.02 -0.82 -4.99 118.68 122.11 2k39 s LEU 15 Ca 0.21 -0.21 -0.07 0.00 0.02 0.00 0.00 54.13 54.07 2k39 s LEU 15 Cb -0.15 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 2k39 s LEU 15 CO 0.08 0.31 0.12 -0.70 0.02 0.00 0.00 176.35 176.19 2k39 s GLU 16 N -0.54 3.61 0.37 1.70 2.56 -1.26 -1.78 118.70 123.36 2k39 s GLU 16 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.97 54.82 2k39 s GLU 16 Cb -0.12 -3.22 0.02 0.00 2.00 0.00 0.00 34.13 32.81 2k39 s GLU 16 CO 0.01 0.63 0.55 0.14 -0.56 0.00 0.00 175.26 176.04 2k39 s VAL 17 N -0.61 0.00 0.15 3.70 -7.23 -0.75 -4.99 120.40 110.67 2k39 s VAL 17 Ca 0.13 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2k39 s VAL 17 Cb -0.12 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2k39 s VAL 17 CO 0.02 0.00 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.09 2k39 s GLU 18 N -2.76 1.08 0.00 4.82 0.41 -1.26 -0.30 118.70 120.69 2k39 s GLU 18 Ca 0.28 -1.44 0.02 0.00 -0.41 0.00 0.00 54.97 53.42 2k39 s GLU 18 Cb -0.02 -0.70 0.10 0.00 -1.78 0.00 0.00 34.13 31.73 2k39 s GLU 18 CO 0.20 0.10 1.03 -0.35 -0.49 0.00 0.00 175.26 175.74 2k39 n PRO 19 N -0.12 0.01 0.00 0.39 -0.04 -1.26 -1.60 135.00 132.37 2k39 n PRO 19 Ca -0.11 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 2k39 n PRO 19 Cb 0.60 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 33.04 2k39 n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2k39 n SER 20 N -1.46 0.97 -4.70 3.54 3.41 -1.26 -0.24 113.62 113.88 2k39 n SER 20 Ca 0.01 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.25 2k39 n SER 20 Cb 0.02 0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k39 s ASP 21 N -2.37 6.51 0.70 4.04 1.11 -0.63 -4.81 116.67 121.21 2k39 s ASP 21 Ca 0.29 2.65 -0.15 0.00 0.18 0.00 0.00 52.55 55.53 2k39 s ASP 21 Cb 0.20 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.63 2k39 s ASP 21 CO 0.47 -0.92 1.14 0.42 1.18 0.00 0.00 175.17 177.45 2k39 s THR 22 N 2.16 2.90 0.41 -1.27 -4.23 -1.26 -2.41 115.64 111.94 2k39 s THR 22 Ca 0.75 0.42 0.20 0.00 -1.18 0.00 0.00 61.69 61.88 2k39 s THR 22 Cb -0.44 -2.93 0.40 0.00 1.34 0.00 0.00 72.50 70.87 2k39 s THR 22 CO 0.33 -0.26 1.79 0.40 -0.54 0.00 0.00 174.62 176.34 2k39 h ILE 23 N -0.18 0.54 0.03 2.99 5.03 -1.81 -2.06 117.51 122.05 2k39 h ILE 23 Ca -0.47 -0.13 -0.27 0.00 -0.12 0.00 0.00 64.86 63.88 2k39 h ILE 23 Cb 1.26 0.14 0.02 0.00 -3.03 0.00 0.00 36.82 35.22 2k39 h ILE 23 CO 0.52 0.07 -1.06 -0.08 -0.68 0.00 0.00 178.15 176.92 2k39 h GLU 24 N 0.37 0.66 0.64 2.37 4.57 -1.93 -3.11 114.58 118.14 2k39 h GLU 24 Ca 0.57 -0.75 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 2k39 h GLU 24 Cb 1.51 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.31 2k39 h GLU 24 CO -0.25 1.33 -0.49 -0.91 -1.18 0.00 0.00 179.01 177.50 2k39 h ASN 25 N 0.31 -1.29 -0.34 1.04 4.21 -1.84 -2.98 115.58 114.69 2k39 h ASN 25 Ca -0.14 0.09 0.07 0.00 1.21 0.00 0.00 56.30 57.53 2k39 h ASN 25 Cb 1.72 0.40 -0.07 0.00 -1.12 0.00 0.00 38.32 39.25 2k39 h ASN 25 CO 0.21 -0.70 -0.16 0.58 -1.29 0.00 0.00 177.43 176.07 2k39 h VAL 26 N -1.10 0.51 -0.82 2.81 2.07 -1.42 0.39 116.25 118.69 2k39 h VAL 26 Ca -0.08 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.62 2k39 h VAL 26 Cb 0.91 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 2k39 h VAL 26 CO 0.02 0.00 0.30 0.11 0.02 0.00 0.00 177.57 178.02 2k39 h LYS 27 N -0.10 0.35 0.09 1.57 1.57 -1.60 0.40 116.57 118.85 2k39 h LYS 27 Ca 0.17 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.64 2k39 h LYS 27 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2k39 h LYS 27 CO -0.41 0.23 -1.46 0.00 -0.57 0.00 0.00 179.45 177.24 2k39 h ALA 28 N 1.66 0.34 -0.31 3.86 0.00 -1.28 -1.78 119.26 121.75 2k39 h ALA 28 Ca 0.49 -1.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2k39 h ALA 28 Cb 0.87 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2k39 h ALA 28 CO -0.51 1.21 0.09 0.87 0.00 0.00 0.00 179.25 180.91 2k39 h LYS 29 N 0.05 0.44 0.03 0.00 1.57 0.17 -1.65 116.57 117.19 2k39 h LYS 29 Ca -0.21 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2k39 h LYS 29 Cb 1.98 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.20 2k39 h LYS 29 CO 0.15 0.40 -0.02 0.82 -0.57 0.00 0.00 179.45 180.23 2k39 h ILE 30 N 0.44 1.11 -0.89 1.86 2.04 -0.94 -3.34 117.51 117.80 2k39 h ILE 30 Ca 0.11 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.56 2k39 h ILE 30 Cb 0.15 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 2k39 h ILE 30 CO -0.01 0.12 0.56 -0.61 0.00 0.00 0.00 178.15 178.21 2k39 h GLN 31 N -0.24 1.03 -0.35 2.37 -0.00 -0.41 -1.99 115.11 115.52 2k39 h GLN 31 Ca -0.00 -0.06 0.10 0.00 -0.00 0.00 0.00 58.65 58.69 2k39 h GLN 31 Cb 0.22 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 2k39 h GLN 31 CO 0.01 0.68 0.36 0.22 0.00 0.00 0.00 178.83 180.10 2k39 h ASP 32 N 1.06 0.00 0.00 -0.69 3.58 -1.50 -1.43 116.42 117.44 2k39 h ASP 32 Ca 0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.82 2k39 h ASP 32 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2k39 h ASP 32 CO -0.15 0.00 -0.73 0.29 -2.88 0.00 0.00 179.24 175.78 2k39 n LYS 33 N -3.82 0.40 -0.00 0.28 5.02 -0.77 -4.82 118.16 114.46 2k39 n LYS 33 Ca 0.06 0.20 0.07 0.00 -2.02 0.00 0.00 58.31 56.62 2k39 n LYS 33 Cb 0.52 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k39 n GLU 34 N -4.03 0.94 0.00 1.97 -0.58 -1.08 -5.05 120.64 112.80 2k39 n GLU 34 Ca -0.10 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 2k39 n GLU 34 Cb 0.38 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.95 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k39 n GLY 35 N 1.59 0.70 3.71 0.62 0.00 -0.54 -5.02 105.19 106.24 2k39 n GLY 35 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k39 s ILE 36 N -2.00 4.88 0.23 -0.61 1.01 -1.26 -4.92 121.20 118.53 2k39 s ILE 36 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 2k39 s ILE 36 Cb 0.00 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 2k39 s ILE 36 CO 0.00 0.18 1.34 -2.16 0.00 0.00 0.00 174.94 174.29 2k39 s PRO 37 N 0.95 4.36 0.34 2.79 0.04 -1.26 -4.21 135.00 138.01 2k39 s PRO 37 Ca 0.50 2.13 0.14 0.00 0.04 0.00 0.00 61.00 63.82 2k39 s PRO 37 Cb -0.21 -3.16 1.09 0.00 0.04 0.00 0.00 34.50 32.27 2k39 s PRO 37 CO 0.27 -0.28 1.64 -1.35 0.04 0.00 0.00 177.00 177.33 2k39 h PRO 38 N 5.01 0.24 -0.44 0.56 0.11 -1.95 -1.98 132.00 133.54 2k39 h PRO 38 Ca -0.46 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.76 2k39 h PRO 38 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2k39 h PRO 38 CO 0.76 0.16 0.32 0.22 -0.21 0.00 0.00 178.00 179.24 2k39 h ASP 39 N 0.24 0.03 0.00 -2.05 3.58 -1.98 -2.91 116.42 113.32 2k39 h ASP 39 Ca 0.74 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.19 2k39 h ASP 39 Cb 1.72 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.76 2k39 h ASP 39 CO -0.65 0.02 -1.19 0.00 -2.88 0.00 0.00 179.24 174.53 2k39 n GLN 40 N -4.41 0.46 -2.65 0.28 1.13 -0.74 -4.96 117.38 106.48 2k39 n GLN 40 Ca 0.07 -0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.77 2k39 n GLN 40 Cb 0.50 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 29.35 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2k39 s GLN 41 N -3.02 4.03 -0.06 -1.09 -0.21 -1.10 -1.50 119.66 116.70 2k39 s GLN 41 Ca 0.04 0.94 0.01 0.00 0.02 0.00 0.00 55.36 56.36 2k39 s GLN 41 Cb 0.15 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.98 2k39 s GLN 41 CO 0.83 -0.13 -0.06 1.03 -2.12 0.00 0.00 175.29 174.84 2k39 s ARG 42 N -3.66 1.11 -0.11 2.91 0.52 0.45 -4.89 118.95 115.29 2k39 s ARG 42 Ca 0.59 -0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.64 2k39 s ARG 42 Cb -0.10 -1.11 -0.01 0.00 0.52 0.00 0.00 34.95 34.25 2k39 s ARG 42 CO 0.24 -0.12 -0.17 -0.51 0.02 0.00 0.00 175.30 174.77 2k39 s LEU 43 N 1.13 2.52 0.03 2.53 1.43 -1.26 -1.37 118.68 123.68 2k39 s LEU 43 Ca -0.07 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2k39 s LEU 43 Cb -0.14 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2k39 s LEU 43 CO -0.01 0.18 -0.26 -0.63 0.23 0.00 0.00 176.35 175.87 2k39 s ILE 44 N 0.22 2.16 -0.07 -0.59 1.09 -0.73 -3.43 121.20 119.85 2k39 s ILE 44 Ca -0.11 -1.29 -0.02 0.00 -1.10 0.00 0.00 60.65 58.13 2k39 s ILE 44 Cb -0.16 -1.82 0.04 0.00 -1.06 0.00 0.00 42.46 39.46 2k39 s ILE 44 CO 0.06 0.43 0.06 0.12 -0.10 0.00 0.00 174.94 175.51 2k39 s PHE 45 N -0.76 0.17 -1.18 3.97 5.36 -1.18 -2.02 117.98 122.34 2k39 s PHE 45 Ca 0.11 0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.16 2k39 s PHE 45 Cb -0.10 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.02 2k39 s PHE 45 CO 0.01 -0.27 0.99 0.00 -1.46 0.00 0.00 175.22 174.49 2k39 n ALA 46 N 5.27 -1.88 0.00 11.12 0.00 -1.26 -3.24 120.51 130.53 2k39 n ALA 46 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k39 n ALA 46 Cb 0.50 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.25 2k39 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k39 n GLY 47 N -1.22 3.35 3.88 0.00 0.00 -1.26 -5.03 105.19 104.91 2k39 n GLY 47 Ca -0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2k39 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 48 N -0.73 3.62 0.85 1.61 1.02 -1.20 -5.11 119.74 119.80 2k39 s LYS 48 Ca 0.00 -0.03 -0.12 0.00 0.02 0.00 0.00 55.97 55.84 2k39 s LYS 48 Cb 0.00 -3.06 0.10 0.00 -0.52 0.00 0.00 37.83 34.35 2k39 s LYS 48 CO 0.00 0.63 1.14 -0.65 -0.92 0.00 0.00 175.35 175.55 2k39 s GLN 49 N -1.81 1.61 -0.18 1.68 -1.52 -1.26 -3.13 119.66 115.05 2k39 s GLN 49 Ca 0.29 0.28 0.01 0.00 -1.95 0.00 0.00 55.36 53.99 2k39 s GLN 49 Cb -0.13 -1.89 0.02 0.00 -0.22 0.00 0.00 33.01 30.79 2k39 s GLN 49 CO 0.17 -1.87 -0.19 -0.51 -0.25 0.00 0.00 175.29 172.63 2k39 s LEU 50 N -5.82 2.18 0.26 2.90 1.43 -1.22 -4.92 118.68 113.48 2k39 s LEU 50 Ca 0.63 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 2k39 s LEU 50 Cb -0.13 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 2k39 s LEU 50 CO 0.52 -0.02 0.72 -0.70 0.23 0.00 0.00 176.35 177.10 2k39 s GLU 51 N 1.29 4.14 -0.03 1.70 2.56 -1.26 -4.95 118.70 122.15 2k39 s GLU 51 Ca 0.04 0.76 -0.30 0.00 0.00 0.00 0.00 54.97 55.48 2k39 s GLU 51 Cb -0.13 -2.71 -0.06 0.00 2.00 0.00 0.00 34.13 33.23 2k39 s GLU 51 CO -0.12 0.31 1.54 -0.51 -0.56 0.00 0.00 175.26 175.92 2k39 s ASP 52 N -1.90 6.74 0.00 -1.70 1.11 -1.26 -2.98 116.67 116.68 2k39 s ASP 52 Ca 0.47 2.19 0.00 0.00 0.18 0.00 0.00 52.55 55.39 2k39 s ASP 52 Cb -0.14 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2k39 s ASP 52 CO 0.20 -0.84 0.00 0.61 1.18 0.00 0.00 175.17 176.31 2k39 n GLY 53 N 3.92 1.39 3.47 0.21 0.00 -1.26 -5.12 105.19 107.80 2k39 n GLY 53 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2k39 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k39 s ARG 54 N -0.15 1.94 0.45 1.61 0.52 -1.16 -5.07 118.95 117.09 2k39 s ARG 54 Ca 0.00 -2.18 0.03 0.00 -0.52 0.00 0.00 55.73 53.06 2k39 s ARG 54 Cb 0.00 -0.38 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 2k39 s ARG 54 CO 0.00 -0.55 0.09 0.95 0.02 0.00 0.00 175.30 175.80 2k39 s THR 55 N -3.23 0.77 0.21 0.02 -4.23 -1.26 -2.50 115.64 105.41 2k39 s THR 55 Ca 0.26 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.89 2k39 s THR 55 Cb 0.02 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 2k39 s THR 55 CO 0.18 0.00 1.59 -0.07 -0.54 0.00 0.00 174.62 175.78 2k39 h LEU 56 N 1.61 0.00 -2.23 4.79 3.38 -1.06 -3.03 115.31 118.77 2k39 h LEU 56 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2k39 h LEU 56 Cb 1.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2k39 h LEU 56 CO 0.62 0.61 0.01 -1.28 0.09 0.00 0.00 178.44 178.49 2k39 h SER 57 N 0.00 0.00 0.07 -0.43 0.87 -0.81 -1.22 113.55 112.03 2k39 h SER 57 Ca -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2k39 h SER 57 Cb 1.15 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.13 2k39 h SER 57 CO 0.08 0.00 -0.74 0.44 -0.53 0.00 0.00 176.83 176.08 2k39 h ASP 58 N 0.00 0.52 -0.62 6.23 3.32 -1.80 -3.34 116.42 120.74 2k39 h ASP 58 Ca 0.01 -0.85 -0.05 0.00 0.02 0.00 0.00 57.03 56.15 2k39 h ASP 58 Cb 0.03 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 2k39 h ASP 58 CO -0.00 1.32 0.06 -1.22 -1.72 0.00 0.00 179.24 177.68 2k39 n TYR 59 N -4.15 2.20 -1.25 4.55 4.01 -1.05 -4.96 117.16 116.51 2k39 n TYR 59 Ca -0.12 -0.83 0.00 0.00 -0.16 0.00 0.00 57.90 56.78 2k39 n TYR 59 Cb 0.76 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 2k39 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k39 n ASN 60 N 0.46 -1.57 -4.25 7.72 2.85 -0.80 -4.95 115.26 114.73 2k39 n ASN 60 Ca 0.31 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.36 2k39 n ASN 60 Cb 1.25 -0.41 -0.03 0.00 1.24 0.00 0.00 39.78 41.84 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2k39 s ILE 61 N -2.00 5.35 -0.15 -1.44 1.01 -0.53 -4.80 121.20 118.64 2k39 s ILE 61 Ca 0.00 -3.51 0.19 0.00 0.00 0.00 0.00 60.65 57.33 2k39 s ILE 61 Cb 0.00 -4.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.09 2k39 s ILE 61 CO 0.00 -1.13 0.78 0.00 0.00 0.00 0.00 174.94 174.59 2k39 n GLN 62 N 2.67 0.63 -3.64 2.79 1.13 -1.26 -4.36 117.38 115.33 2k39 n GLN 62 Ca 0.22 0.11 -0.03 0.00 -1.94 0.00 0.00 57.00 55.37 2k39 n GLN 62 Cb 0.39 -1.75 -0.07 0.00 0.11 0.00 0.00 30.24 28.92 2k39 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2k39 s LYS 63 N -3.11 0.41 0.00 -1.09 -2.85 -1.26 -4.89 119.74 106.95 2k39 s LYS 63 Ca -0.03 0.71 0.00 0.00 -1.00 0.00 0.00 55.97 55.65 2k39 s LYS 63 Cb 0.09 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2k39 s LYS 63 CO 0.82 -0.09 0.00 0.39 0.10 0.00 0.00 175.35 176.57 2k39 n GLU 64 N 3.75 0.00 -0.09 1.78 4.71 -1.21 -4.93 120.64 124.64 2k39 n GLU 64 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 2k39 n GLU 64 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.01 2k39 n GLU 64 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2k39 n SER 65 N 0.54 0.00 -4.11 1.62 2.88 -1.26 -5.01 113.62 108.27 2k39 n SER 65 Ca 0.00 -0.05 -0.27 0.00 -1.33 0.00 0.00 58.87 57.22 2k39 n SER 65 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2k39 n SER 65 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2k39 s THR 66 N -1.44 1.46 -0.03 2.46 2.01 -1.26 -1.72 115.64 117.12 2k39 s THR 66 Ca 0.00 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 2k39 s THR 66 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2k39 s THR 66 CO 0.00 0.42 0.21 -0.76 -0.69 0.00 0.00 174.62 173.81 2k39 s LEU 67 N 0.35 4.38 -0.12 4.42 1.02 -1.18 -4.88 118.68 122.67 2k39 s LEU 67 Ca -0.11 0.49 -0.20 0.00 0.02 0.00 0.00 54.13 54.33 2k39 s LEU 67 Cb -0.15 -2.48 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 2k39 s LEU 67 CO 0.04 0.30 0.56 -1.00 0.02 0.00 0.00 176.35 176.28 2k39 s HIS 68 N -1.22 3.51 -0.30 0.29 3.76 -0.86 -1.03 115.29 119.44 2k39 s HIS 68 Ca 0.24 0.99 -0.18 0.00 -0.15 0.00 0.00 55.06 55.96 2k39 s HIS 68 Cb -0.13 -2.66 -0.02 0.00 1.11 0.00 0.00 32.58 30.88 2k39 s HIS 68 CO 0.13 0.09 0.54 -1.17 -0.85 0.00 0.00 174.74 173.47 2k39 s LEU 69 N 0.90 4.17 0.03 0.89 2.96 -0.38 -1.77 118.68 125.47 2k39 s LEU 69 Ca 0.30 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2k39 s LEU 69 Cb -0.16 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2k39 s LEU 69 CO 0.13 -0.39 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.86 2k39 s VAL 70 N 2.40 1.66 -0.09 1.68 1.01 -0.47 -4.44 120.40 122.15 2k39 s VAL 70 Ca 0.21 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2k39 s VAL 70 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.82 2k39 s VAL 70 CO 0.11 0.27 -0.08 -1.48 0.00 0.00 0.00 175.10 173.92 2k39 s LEU 71 N -1.01 1.29 0.53 3.92 2.34 -1.26 -0.41 118.68 124.08 2k39 s LEU 71 Ca 0.08 -0.27 0.20 0.00 0.06 0.00 0.00 54.13 54.20 2k39 s LEU 71 Cb -0.09 -0.76 1.34 0.00 -0.56 0.00 0.00 46.19 46.12 2k39 s LEU 71 CO 0.01 -0.07 2.11 -0.09 -1.06 0.00 0.00 176.35 177.25 2k39 h ARG 72 N 7.72 0.00 -6.29 1.48 9.65 -1.61 -3.40 114.38 121.93 2k39 h ARG 72 Ca -0.30 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.03 2k39 h ARG 72 Cb 1.15 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2k39 h ARG 72 CO 0.42 0.00 0.85 -1.17 2.80 0.00 0.00 179.97 182.88 2k39 s LEU 73 N -8.86 4.27 -0.13 3.80 2.96 -1.26 -5.00 118.68 114.46 2k39 s LEU 73 Ca -0.05 1.95 -0.26 0.00 -0.22 0.00 0.00 54.13 55.56 2k39 s LEU 73 Cb 0.18 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.29 2k39 s LEU 73 CO 0.68 -0.73 0.83 -0.60 -1.32 0.00 0.00 176.35 175.21 2k39 s ARG 74 N 2.85 4.36 0.00 1.98 3.52 -1.26 -4.22 118.95 126.18 2k39 s ARG 74 Ca 0.61 1.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 2k39 s ARG 74 Cb -0.28 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2k39 s ARG 74 CO 0.23 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 2k39 n GLY 75 N 3.31 1.91 0.00 8.12 0.00 -1.26 -5.22 105.19 112.05 2k39 n GLY 75 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93