#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 3.97 0.28 2.12 -0.21 -1.26 -0.88 119.66 123.69 2k39 s GLN 2 Ca 0.00 -0.08 0.04 0.00 0.02 0.00 0.00 55.36 55.34 2k39 s GLN 2 Cb 0.00 -3.34 -0.06 0.00 1.00 0.00 0.00 33.01 30.61 2k39 s GLN 2 CO 0.00 0.45 0.03 0.96 -2.12 0.00 0.00 175.29 174.61 2k39 s ILE 3 N -0.11 1.11 0.04 1.08 -4.36 -0.32 0.11 121.20 118.75 2k39 s ILE 3 Ca 0.13 -2.02 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 2k39 s ILE 3 Cb -0.12 -2.60 -0.02 0.00 1.25 0.00 0.00 42.46 40.97 2k39 s ILE 3 CO 0.02 -0.13 -0.12 -0.36 0.24 0.00 0.00 174.94 174.59 2k39 s PHE 4 N -3.36 1.00 -0.36 1.37 0.08 -0.49 -0.23 117.98 115.99 2k39 s PHE 4 Ca 0.33 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.02 2k39 s PHE 4 Cb 0.07 -0.59 0.12 0.00 -0.57 0.00 0.00 43.02 42.05 2k39 s PHE 4 CO 0.13 0.00 0.17 0.08 -0.10 0.00 0.00 175.22 175.50 2k39 s VAL 5 N -0.93 0.89 0.21 -0.44 1.01 0.02 -0.60 120.40 120.56 2k39 s VAL 5 Ca -0.01 -1.81 -0.30 0.00 0.00 0.00 0.00 61.98 59.86 2k39 s VAL 5 Cb -0.08 -1.65 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 2k39 s VAL 5 CO 0.01 -0.81 1.02 -0.75 0.00 0.00 0.00 175.10 174.58 2k39 s LYS 6 N 1.12 4.71 0.50 2.72 2.20 -0.03 0.37 119.74 131.33 2k39 s LYS 6 Ca 0.14 1.61 0.02 0.00 -0.36 0.00 0.00 55.97 57.39 2k39 s LYS 6 Cb -0.21 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 2k39 s LYS 6 CO -0.13 0.28 0.71 0.95 -0.36 0.00 0.00 175.35 176.79 2k39 s THR 7 N -0.71 3.08 -0.31 3.43 -4.23 -0.25 0.27 115.64 116.92 2k39 s THR 7 Ca 0.45 -0.69 0.27 0.00 -1.18 0.00 0.00 61.69 60.54 2k39 s THR 7 Cb -0.28 -3.13 0.30 0.00 1.34 0.00 0.00 72.50 70.73 2k39 s THR 7 CO 0.34 -0.08 1.80 -0.07 -0.54 0.00 0.00 174.62 176.07 2k39 h LEU 8 N 0.27 0.00 -0.31 4.79 3.38 -1.87 -3.07 115.31 118.50 2k39 h LEU 8 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2k39 h LEU 8 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2k39 h LEU 8 CO 0.52 0.00 -0.40 0.35 0.09 0.00 0.00 178.44 179.00 2k39 n THR 9 N -2.54 0.00 0.00 0.22 -2.24 -1.26 -4.97 114.28 103.49 2k39 n THR 9 Ca 0.02 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2k39 n THR 9 Cb 0.28 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2k39 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k39 n GLY 10 N 1.41 2.22 3.78 3.38 0.00 -1.16 -5.10 105.19 109.73 2k39 n GLY 10 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2k39 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k39 s LYS 11 N -0.25 4.31 -0.24 1.61 2.20 -1.26 -4.79 119.74 121.32 2k39 s LYS 11 Ca 0.00 1.44 -0.07 0.00 -0.36 0.00 0.00 55.97 56.98 2k39 s LYS 11 Cb 0.00 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 2k39 s LYS 11 CO 0.00 0.00 0.07 0.95 -0.36 0.00 0.00 175.35 176.01 2k39 s THR 12 N -1.67 4.38 0.20 3.43 -4.23 -1.26 -1.09 115.64 115.40 2k39 s THR 12 Ca 0.55 -0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.77 2k39 s THR 12 Cb -0.20 -3.03 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 2k39 s THR 12 CO 0.26 0.36 0.60 -0.63 -0.54 0.00 0.00 174.62 174.66 2k39 s ILE 13 N 1.39 4.82 -0.09 2.99 -1.09 0.16 -4.86 121.20 124.51 2k39 s ILE 13 Ca 0.05 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.28 2k39 s ILE 13 Cb -0.15 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2k39 s ILE 13 CO 0.03 0.10 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.91 2k39 s THR 14 N -1.63 3.85 -0.33 2.92 2.01 -1.26 -0.80 115.64 120.40 2k39 s THR 14 Ca 0.43 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2k39 s THR 14 Cb -0.14 -2.61 0.10 0.00 0.01 0.00 0.00 72.50 69.86 2k39 s THR 14 CO 0.20 0.58 0.06 -0.76 -0.69 0.00 0.00 174.62 174.00 2k39 s LEU 15 N -0.55 4.15 -0.54 4.42 2.01 0.68 -4.99 118.68 123.86 2k39 s LEU 15 Ca 0.08 -2.03 -0.24 0.00 0.01 0.00 0.00 54.13 51.96 2k39 s LEU 15 Cb -0.12 -1.45 0.04 0.00 0.01 0.00 0.00 46.19 44.68 2k39 s LEU 15 CO 0.02 -0.39 0.93 -1.83 1.01 0.00 0.00 176.35 176.09 2k39 s GLU 16 N 1.07 3.35 0.17 1.70 1.03 -1.26 -1.17 118.70 123.59 2k39 s GLU 16 Ca 0.10 -0.23 -0.22 0.00 0.03 0.00 0.00 54.97 54.66 2k39 s GLU 16 Cb -0.19 -4.04 0.06 0.00 -0.80 0.00 0.00 34.13 29.17 2k39 s GLU 16 CO -0.12 -1.44 0.58 0.14 -1.33 0.00 0.00 175.26 173.09 2k39 s VAL 17 N 3.87 0.01 0.16 1.83 -7.23 -0.06 -4.93 120.40 114.05 2k39 s VAL 17 Ca 0.31 -0.20 -0.01 0.00 -1.81 0.00 0.00 61.98 60.26 2k39 s VAL 17 Cb -0.12 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2k39 s VAL 17 CO 0.20 -0.05 0.35 -0.70 -0.31 0.00 0.00 175.10 174.59 2k39 s GLU 18 N -3.78 3.52 0.53 4.82 2.12 -1.26 0.16 118.70 124.81 2k39 s GLU 18 Ca 0.03 -0.33 0.29 0.00 0.36 0.00 0.00 54.97 55.31 2k39 s GLU 18 Cb -0.01 -2.89 1.44 0.00 0.26 0.00 0.00 34.13 32.93 2k39 s GLU 18 CO -0.11 0.46 1.91 -1.35 -0.54 0.00 0.00 175.26 175.63 2k39 h PRO 19 N 2.35 0.03 -0.08 4.30 0.11 -1.93 -1.96 132.00 134.82 2k39 h PRO 19 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k39 h PRO 19 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k39 h PRO 19 CO 0.70 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 2k39 n SER 20 N -4.31 1.32 -4.77 -2.05 3.41 -1.26 -1.04 113.62 104.93 2k39 n SER 20 Ca 0.17 -1.55 -0.39 0.00 -0.26 0.00 0.00 58.87 56.84 2k39 n SER 20 Cb 0.88 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.76 7.50 0.60 4.04 1.01 -0.74 -4.97 116.67 122.35 2k39 s ASP 21 Ca 0.35 1.82 -0.11 0.00 0.71 0.00 0.00 52.55 55.32 2k39 s ASP 21 Cb 0.19 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 2k39 s ASP 21 CO 0.29 0.13 1.01 0.42 0.21 0.00 0.00 175.17 177.24 2k39 s THR 22 N -1.26 4.71 -0.58 -1.27 -4.23 -1.26 -3.37 115.64 108.37 2k39 s THR 22 Ca 0.41 0.87 0.24 0.00 -1.18 0.00 0.00 61.69 62.02 2k39 s THR 22 Cb -0.24 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 69.99 2k39 s THR 22 CO 0.29 -1.10 1.71 -0.38 -0.54 0.00 0.00 174.62 174.60 2k39 n ILE 23 N -2.63 0.78 0.27 2.99 5.41 -1.16 -2.42 119.36 122.59 2k39 n ILE 23 Ca 0.06 0.13 0.12 0.00 1.00 0.00 0.00 62.75 64.05 2k39 n ILE 23 Cb 0.54 -1.03 0.10 0.00 -0.71 0.00 0.00 39.64 38.54 2k39 n ILE 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2k39 h GLU 24 N 0.00 0.00 -0.26 0.38 4.81 -1.71 -2.29 114.58 115.50 2k39 h GLU 24 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2k39 h GLU 24 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k39 h GLU 24 CO 0.00 0.00 -0.02 -0.97 -0.73 0.00 0.00 179.01 177.29 2k39 h ASN 25 N 0.00 0.47 -0.94 1.04 -1.24 -1.77 -0.44 115.58 112.69 2k39 h ASN 25 Ca 0.00 -0.33 0.07 0.00 0.71 0.00 0.00 56.30 56.76 2k39 h ASN 25 Cb 0.92 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.78 2k39 h ASN 25 CO 0.00 0.68 0.60 0.58 -1.29 0.00 0.00 177.43 178.00 2k39 h VAL 26 N 0.25 1.04 -0.14 2.57 2.07 -1.54 0.52 116.25 121.03 2k39 h VAL 26 Ca 0.07 -0.36 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 2k39 h VAL 26 Cb 0.45 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2k39 h VAL 26 CO 0.02 0.19 -0.77 0.11 0.02 0.00 0.00 177.57 177.14 2k39 h LYS 27 N 1.06 0.71 -0.09 1.57 1.57 -1.02 -1.70 116.57 118.66 2k39 h LYS 27 Ca 0.42 -0.58 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2k39 h LYS 27 Cb 0.22 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2k39 h LYS 27 CO -0.19 1.19 -0.28 0.00 -0.57 0.00 0.00 179.45 179.60 2k39 h ALA 28 N 0.65 1.36 -0.59 3.86 0.00 -0.51 -2.98 119.26 121.04 2k39 h ALA 28 Ca -0.05 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2k39 h ALA 28 Cb 1.39 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2k39 h ALA 28 CO 0.15 0.45 0.33 0.87 0.00 0.00 0.00 179.25 181.05 2k39 h LYS 29 N 0.15 0.61 -0.59 0.00 1.57 0.17 -3.25 116.57 115.25 2k39 h LYS 29 Ca 0.02 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2k39 h LYS 29 Cb 0.58 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 2k39 h LYS 29 CO 0.04 0.41 0.28 0.82 -0.57 0.00 0.00 179.45 180.42 2k39 h ILE 30 N 0.63 0.89 -0.03 1.86 2.04 -1.15 -2.44 117.51 119.31 2k39 h ILE 30 Ca 0.26 -0.18 0.01 0.00 1.00 0.00 0.00 64.86 65.95 2k39 h ILE 30 Cb 0.12 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2k39 h ILE 30 CO -0.15 0.09 -0.16 -0.61 0.00 0.00 0.00 178.15 177.32 2k39 h GLN 31 N 0.51 -0.17 -0.98 2.37 4.15 -1.53 0.23 115.11 119.70 2k39 h GLN 31 Ca 0.27 0.01 0.27 0.00 0.77 0.00 0.00 58.65 59.97 2k39 h GLN 31 Cb 0.24 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 2k39 h GLN 31 CO -0.22 -0.11 0.68 0.22 -1.93 0.00 0.00 178.83 177.47 2k39 h ASP 32 N -0.17 0.15 0.00 -0.69 3.58 -1.56 0.43 116.42 118.16 2k39 h ASP 32 Ca 0.01 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 2k39 h ASP 32 Cb 0.20 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2k39 h ASP 32 CO -0.12 0.04 -0.45 0.11 -2.88 0.00 0.00 179.24 175.95 2k39 h LYS 33 N 0.14 0.00 -0.00 0.28 1.57 -1.29 -3.44 116.57 113.83 2k39 h LYS 33 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2k39 h LYS 33 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 2k39 h LYS 33 CO -0.09 0.17 -0.33 -1.91 -0.57 0.00 0.00 179.45 176.73 2k39 n GLU 34 N -4.64 3.81 0.00 3.15 4.07 0.79 -5.03 120.64 122.79 2k39 n GLU 34 Ca -0.09 -0.14 0.00 0.00 -0.06 0.00 0.00 57.16 56.88 2k39 n GLU 34 Cb 0.26 -0.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 2k39 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k39 n GLY 35 N 1.10 0.57 3.48 8.31 0.00 0.15 -4.96 105.19 113.84 2k39 n GLY 35 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 5.18 0.43 -0.61 1.01 -1.26 -4.92 121.20 119.04 2k39 s ILE 36 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 2k39 s ILE 36 Cb 0.00 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 2k39 s ILE 36 CO 0.00 -0.34 1.26 -2.65 0.00 0.00 0.00 174.94 173.21 2k39 n PRO 37 N 5.36 1.88 -0.45 2.79 -0.02 -1.26 -2.89 135.00 140.41 2k39 n PRO 37 Ca -0.09 0.67 0.40 0.00 -2.02 0.00 0.00 63.50 62.46 2k39 n PRO 37 Cb 0.47 -2.38 0.74 0.00 -0.02 0.00 0.00 33.50 32.32 2k39 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2k39 h PRO 38 N 2.00 0.04 -0.17 0.52 0.11 -1.96 -2.28 132.00 130.25 2k39 h PRO 38 Ca -0.48 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.48 2k39 h PRO 38 Cb 1.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2k39 h PRO 38 CO 0.59 0.03 -0.51 0.22 -0.21 0.00 0.00 178.00 178.12 2k39 h ASP 39 N 0.04 0.52 -0.35 -2.05 3.58 -1.95 -3.06 116.42 113.16 2k39 h ASP 39 Ca 0.71 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.90 2k39 h ASP 39 Cb 2.70 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 43.60 2k39 h ASP 39 CO -0.08 0.94 0.00 0.00 -2.88 0.00 0.00 179.24 177.22 2k39 n GLN 40 N -3.97 2.25 -4.11 0.28 6.02 -0.86 -4.83 117.38 112.17 2k39 n GLN 40 Ca -0.02 -1.44 -0.25 0.00 -0.01 0.00 0.00 57.00 55.28 2k39 n GLN 40 Cb 0.57 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.29 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2k39 s GLN 41 N -1.63 2.87 -0.09 -1.09 -0.21 -1.16 -1.85 119.66 116.50 2k39 s GLN 41 Ca 0.26 -0.96 -0.03 0.00 0.02 0.00 0.00 55.36 54.65 2k39 s GLN 41 Cb 0.16 -2.59 0.04 0.00 1.00 0.00 0.00 33.01 31.62 2k39 s GLN 41 CO 0.14 0.45 0.05 0.50 -2.12 0.00 0.00 175.29 174.31 2k39 s ARG 42 N -3.38 0.15 -0.45 2.91 3.52 0.89 -4.93 118.95 117.65 2k39 s ARG 42 Ca 0.31 0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 55.89 2k39 s ARG 42 Cb -0.09 -1.08 0.05 0.00 -1.56 0.00 0.00 34.95 32.27 2k39 s ARG 42 CO 0.24 -0.44 0.40 -0.51 -0.81 0.00 0.00 175.30 174.18 2k39 s LEU 43 N 2.10 5.31 0.23 -0.88 1.43 -1.26 0.05 118.68 125.66 2k39 s LEU 43 Ca 0.04 -1.07 0.08 0.00 -1.03 0.00 0.00 54.13 52.14 2k39 s LEU 43 Cb -0.14 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2k39 s LEU 43 CO -0.05 -0.61 0.05 0.27 0.23 0.00 0.00 176.35 176.23 2k39 s ILE 44 N 1.83 3.79 -0.63 -0.59 -4.36 -0.67 -3.31 121.20 117.26 2k39 s ILE 44 Ca 0.07 -1.62 0.05 0.00 -0.26 0.00 0.00 60.65 58.88 2k39 s ILE 44 Cb -0.21 -2.99 0.04 0.00 1.25 0.00 0.00 42.46 40.54 2k39 s ILE 44 CO 0.09 -0.28 0.64 0.33 0.24 0.00 0.00 174.94 175.96 2k39 n PHE 45 N -0.70 0.00 0.00 1.37 7.35 -1.26 -1.64 117.46 122.58 2k39 n PHE 45 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 2k39 n PHE 45 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2k39 n ALA 46 N 0.22 0.00 0.00 3.13 0.00 -1.26 -5.02 120.51 117.57 2k39 n ALA 46 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2k39 n ALA 46 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.00 0.02 3.49 0.00 0.00 -1.26 -5.05 105.19 102.40 2k39 n GLY 47 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.68 1.77 0.98 1.61 1.02 -1.26 -5.04 119.74 117.14 2k39 s LYS 48 Ca 0.00 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.44 2k39 s LYS 48 Cb 0.00 -1.98 0.18 0.00 -0.52 0.00 0.00 37.83 35.51 2k39 s LYS 48 CO 0.00 0.41 1.08 1.14 -0.92 0.00 0.00 175.35 177.06 2k39 s GLN 49 N -2.81 0.53 -0.18 1.68 -2.07 -1.26 -4.40 119.66 111.14 2k39 s GLN 49 Ca 0.23 0.99 -0.14 0.00 -1.82 0.00 0.00 55.36 54.62 2k39 s GLN 49 Cb -0.08 -1.71 -0.04 0.00 -1.09 0.00 0.00 33.01 30.08 2k39 s GLN 49 CO 0.13 -2.79 0.30 -0.51 -1.32 0.00 0.00 175.29 171.10 2k39 s LEU 50 N -6.61 4.20 0.02 2.60 1.43 -1.21 -4.96 118.68 114.14 2k39 s LEU 50 Ca 0.66 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.90 2k39 s LEU 50 Cb -0.21 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.58 2k39 s LEU 50 CO 0.59 0.05 1.46 -0.70 0.23 0.00 0.00 176.35 177.99 2k39 s GLU 51 N 0.78 4.26 0.56 1.70 2.56 -1.26 -4.88 118.70 122.42 2k39 s GLU 51 Ca 0.16 2.06 0.37 0.00 0.00 0.00 0.00 54.97 57.55 2k39 s GLU 51 Cb -0.13 -3.58 1.49 0.00 2.00 0.00 0.00 34.13 33.91 2k39 s GLU 51 CO 0.05 -0.62 1.71 -0.44 -0.56 0.00 0.00 175.26 175.40 2k39 h ASP 52 N 7.95 0.00 -0.73 -1.70 5.19 -1.98 -2.82 116.42 122.33 2k39 h ASP 52 Ca -0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.02 2k39 h ASP 52 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2k39 h ASP 52 CO 0.91 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.64 2k39 n GLY 53 N -1.75 2.55 3.90 2.75 0.00 -1.26 -2.05 105.19 109.32 2k39 n GLY 53 Ca 0.26 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.16 2.23 0.43 1.61 0.52 -1.07 -5.01 118.95 116.51 2k39 s ARG 54 Ca 0.50 -2.13 0.05 0.00 -0.52 0.00 0.00 55.73 53.64 2k39 s ARG 54 Cb 0.27 -2.00 -0.06 0.00 0.52 0.00 0.00 34.95 33.68 2k39 s ARG 54 CO 0.32 -0.65 0.01 0.95 0.02 0.00 0.00 175.30 175.96 2k39 s THR 55 N -2.82 1.75 0.26 0.02 -4.23 -1.26 -3.00 115.64 106.36 2k39 s THR 55 Ca 0.28 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 2k39 s THR 55 Cb -0.02 -2.78 0.37 0.00 1.34 0.00 0.00 72.50 71.41 2k39 s THR 55 CO 0.17 0.00 1.56 -0.07 -0.54 0.00 0.00 174.62 175.74 2k39 h LEU 56 N 1.68 -1.11 -1.00 4.79 4.07 -1.56 -1.91 115.31 120.27 2k39 h LEU 56 Ca -0.44 0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.78 2k39 h LEU 56 Cb 1.26 0.67 -0.03 0.00 1.08 0.00 0.00 40.66 43.64 2k39 h LEU 56 CO 0.79 -0.31 0.24 0.77 -1.08 0.00 0.00 178.44 178.84 2k39 h SER 57 N -0.00 0.88 -0.15 -0.43 4.64 -1.37 -0.85 113.55 116.28 2k39 h SER 57 Ca 0.43 -0.13 -0.06 0.00 -0.47 0.00 0.00 61.79 61.56 2k39 h SER 57 Cb 0.67 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2k39 h SER 57 CO -1.01 0.80 -0.12 0.44 -0.87 0.00 0.00 176.83 176.07 2k39 h ASP 58 N 0.94 0.36 0.51 4.97 3.32 -1.63 -3.12 116.42 121.77 2k39 h ASP 58 Ca 0.22 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2k39 h ASP 58 Cb 0.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2k39 h ASP 58 CO -0.02 0.75 0.00 -1.22 -1.72 0.00 0.00 179.24 177.04 2k39 n TYR 59 N -4.58 0.00 -3.59 4.55 4.01 -1.06 -4.94 117.16 111.55 2k39 n TYR 59 Ca -0.06 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.46 2k39 n TYR 59 Cb 0.34 -0.26 0.07 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.26 -4.21 -4.42 7.72 2.85 -0.47 -4.94 115.26 110.52 2k39 n ASN 60 Ca 0.14 -0.62 -0.44 0.00 -0.11 0.00 0.00 54.58 53.55 2k39 n ASN 60 Cb 0.22 -4.84 -0.04 0.00 1.24 0.00 0.00 39.78 36.36 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 -3.37 4.62 0.78 -1.44 -1.09 -0.45 -5.04 121.20 115.22 2k39 s ILE 61 Ca 0.34 -0.87 -0.12 0.00 -2.23 0.00 0.00 60.65 57.78 2k39 s ILE 61 Cb -0.15 -4.62 0.06 0.00 -1.58 0.00 0.00 42.46 36.17 2k39 s ILE 61 CO 0.75 -1.33 1.12 -1.10 -1.23 0.00 0.00 174.94 173.15 2k39 s GLN 62 N 3.20 2.21 -0.01 2.79 -1.52 -1.26 -4.70 119.66 120.37 2k39 s GLN 62 Ca 0.20 0.41 -0.39 0.00 -1.95 0.00 0.00 55.36 53.63 2k39 s GLN 62 Cb -0.17 -1.95 -0.19 0.00 -0.22 0.00 0.00 33.01 30.47 2k39 s GLN 62 CO 0.05 -1.48 1.05 0.36 -0.25 0.00 0.00 175.29 175.01 2k39 n LYS 63 N -3.30 0.00 -2.91 2.91 -0.00 -1.26 -3.35 118.16 110.25 2k39 n LYS 63 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.27 2k39 n LYS 63 Cb 0.58 -1.45 0.03 0.00 -0.00 0.00 0.00 35.03 34.19 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2k39 n GLU 64 N 1.50 -3.35 -3.33 -1.58 1.02 0.12 -5.00 120.64 110.02 2k39 n GLU 64 Ca 0.20 0.39 -0.38 0.00 -0.02 0.00 0.00 57.16 57.35 2k39 n GLU 64 Cb 0.07 -4.11 -0.06 0.00 -0.02 0.00 0.00 31.44 27.32 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k39 s SER 65 N -3.08 6.68 -0.41 1.62 0.01 -1.21 -4.91 113.70 112.40 2k39 s SER 65 Ca 0.24 0.81 -0.23 0.00 1.31 0.00 0.00 55.95 58.08 2k39 s SER 65 Cb -0.11 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2k39 s SER 65 CO 0.30 0.02 0.77 -0.89 0.41 0.00 0.00 173.24 173.84 2k39 s THR 66 N 0.55 4.70 -0.07 1.44 2.01 -1.26 -1.40 115.64 121.61 2k39 s THR 66 Ca 0.26 0.59 -0.14 0.00 0.31 0.00 0.00 61.69 62.71 2k39 s THR 66 Cb -0.15 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2k39 s THR 66 CO 0.10 -0.58 0.35 -0.76 -0.69 0.00 0.00 174.62 173.04 2k39 s LEU 67 N 3.17 4.38 -0.20 4.42 1.43 0.23 -4.94 118.68 127.17 2k39 s LEU 67 Ca 0.30 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 2k39 s LEU 67 Cb -0.13 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2k39 s LEU 67 CO 0.20 0.25 0.36 -1.00 0.23 0.00 0.00 176.35 176.39 2k39 s HIS 68 N -0.50 3.37 -0.42 0.29 3.76 -0.65 -0.85 115.29 120.29 2k39 s HIS 68 Ca 0.21 0.56 -0.14 0.00 -0.15 0.00 0.00 55.06 55.54 2k39 s HIS 68 Cb -0.15 -2.48 0.03 0.00 1.11 0.00 0.00 32.58 31.09 2k39 s HIS 68 CO 0.09 0.01 0.30 -1.17 -0.85 0.00 0.00 174.74 173.12 2k39 s LEU 69 N 1.24 5.14 0.41 0.89 2.96 0.14 -1.66 118.68 127.80 2k39 s LEU 69 Ca 0.17 -1.02 -0.23 0.00 -0.22 0.00 0.00 54.13 52.84 2k39 s LEU 69 Cb -0.14 -2.13 -0.10 0.00 0.50 0.00 0.00 46.19 44.31 2k39 s LEU 69 CO 0.07 -0.48 1.00 -0.69 -1.32 0.00 0.00 176.35 174.93 2k39 s VAL 70 N 1.64 4.04 0.00 1.68 1.01 0.11 -3.05 120.40 125.83 2k39 s VAL 70 Ca 0.04 1.43 0.01 0.00 0.00 0.00 0.00 61.98 63.46 2k39 s VAL 70 Cb -0.20 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 2k39 s VAL 70 CO 0.09 -0.12 -0.03 -1.48 0.00 0.00 0.00 175.10 173.56 2k39 s LEU 71 N -2.87 2.03 -0.03 3.92 0.05 -1.26 -0.08 118.68 120.44 2k39 s LEU 71 Ca 0.60 -0.09 0.12 0.00 0.05 0.00 0.00 54.13 54.80 2k39 s LEU 71 Cb -0.16 -0.11 0.40 0.00 -2.05 0.00 0.00 46.19 44.27 2k39 s LEU 71 CO 0.21 -0.00 1.29 0.54 -0.55 0.00 0.00 176.35 177.83 2k39 n ARG 72 N 2.87 2.29 -1.75 1.48 1.74 -0.77 -4.36 116.66 118.16 2k39 n ARG 72 Ca -0.14 -1.59 -0.14 0.00 -0.77 0.00 0.00 57.85 55.22 2k39 n ARG 72 Cb 0.59 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.62 2k39 n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2k39 n LEU 73 N 0.65 3.93 -0.18 0.55 -0.00 -1.26 -4.87 117.00 115.81 2k39 n LEU 73 Ca 0.15 -4.28 -0.08 0.00 -0.00 0.00 0.00 56.01 51.79 2k39 n LEU 73 Cb 0.46 -0.29 0.01 0.00 -0.00 0.00 0.00 43.42 43.60 2k39 n LEU 73 CO 0.12 1.78 0.93 -0.09 -0.00 0.00 0.00 177.39 180.13 2k39 h ARG 74 N 1.90 0.78 0.00 1.47 1.12 -1.99 -3.48 114.38 114.18 2k39 h ARG 74 Ca 0.21 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 2k39 h ARG 74 Cb 1.40 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 31.24 2k39 h ARG 74 CO 0.50 0.71 0.00 0.41 -3.11 0.00 0.00 179.97 178.48 2k39 n GLY 75 N -0.72 1.52 0.00 2.80 0.00 -1.26 -5.15 105.19 102.37 2k39 n GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93