#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 3.94 0.02 3.17 -0.21 -1.26 -2.12 119.66 123.20 2k39 s GLN 2 Ca 0.00 0.51 0.06 0.00 0.02 0.00 0.00 55.36 55.94 2k39 s GLN 2 Cb 0.00 -2.64 -0.02 0.00 1.00 0.00 0.00 33.01 31.36 2k39 s GLN 2 CO 0.00 0.29 -0.17 0.96 -2.12 0.00 0.00 175.29 174.25 2k39 s ILE 3 N -1.79 1.37 -0.14 1.08 -4.36 0.13 0.31 121.20 117.79 2k39 s ILE 3 Ca 0.48 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.86 2k39 s ILE 3 Cb -0.12 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 2k39 s ILE 3 CO 0.19 0.21 0.06 -0.36 0.24 0.00 0.00 174.94 175.28 2k39 s PHE 4 N -0.66 3.28 -0.05 1.37 0.08 -0.05 -0.78 117.98 121.18 2k39 s PHE 4 Ca 0.05 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.28 2k39 s PHE 4 Cb -0.08 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 2k39 s PHE 4 CO 0.01 0.34 -0.02 0.08 -0.10 0.00 0.00 175.22 175.52 2k39 s VAL 5 N -0.22 0.43 -0.23 -0.44 1.01 0.15 -0.92 120.40 120.19 2k39 s VAL 5 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 2k39 s VAL 5 Cb -0.12 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2k39 s VAL 5 CO 0.01 0.22 -0.10 -0.75 0.00 0.00 0.00 175.10 174.48 2k39 s LYS 6 N 1.23 2.87 0.68 2.72 2.20 0.02 -0.86 119.74 128.61 2k39 s LYS 6 Ca -0.06 -0.94 -0.12 0.00 -0.36 0.00 0.00 55.97 54.49 2k39 s LYS 6 Cb -0.14 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 2k39 s LYS 6 CO -0.02 -0.35 1.06 0.95 -0.36 0.00 0.00 175.35 176.64 2k39 s THR 7 N 1.31 3.87 0.24 3.43 -4.23 -1.02 -0.87 115.64 118.37 2k39 s THR 7 Ca 0.01 0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 61.13 2k39 s THR 7 Cb -0.16 -3.33 0.24 0.00 1.34 0.00 0.00 72.50 70.59 2k39 s THR 7 CO -0.07 -0.73 1.92 0.25 -0.54 0.00 0.00 174.62 175.45 2k39 h LEU 8 N -0.47 1.10 -0.07 4.79 5.85 -1.90 -1.49 115.31 123.11 2k39 h LEU 8 Ca -0.45 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k39 h LEU 8 Cb 1.22 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2k39 h LEU 8 CO 0.56 0.79 0.00 0.35 -0.34 0.00 0.00 178.44 179.80 2k39 n THR 9 N -4.42 0.01 0.00 1.05 -2.24 -1.26 -4.93 114.28 102.48 2k39 n THR 9 Ca 0.11 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2k39 n THR 9 Cb 0.02 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 0.91 1.19 3.67 3.38 0.00 -0.56 -5.07 105.19 108.71 2k39 n GLY 10 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.15 4.30 0.17 1.61 2.20 -1.26 -4.81 119.74 121.79 2k39 s LYS 11 Ca 0.00 1.65 -0.28 0.00 -0.36 0.00 0.00 55.97 56.98 2k39 s LYS 11 Cb 0.00 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2k39 s LYS 11 CO 0.00 -0.56 0.87 0.99 -0.36 0.00 0.00 175.35 176.29 2k39 s THR 12 N 2.78 4.34 0.01 3.43 2.01 -1.26 -2.43 115.64 124.51 2k39 s THR 12 Ca 0.55 1.91 0.08 0.00 0.31 0.00 0.00 61.69 64.53 2k39 s THR 12 Cb -0.23 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.02 2k39 s THR 12 CO 0.18 0.45 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.70 2k39 s ILE 13 N -0.78 1.87 -0.27 1.82 1.09 -0.04 -4.99 121.20 119.91 2k39 s ILE 13 Ca 0.40 -1.12 -0.14 0.00 -1.10 0.00 0.00 60.65 58.70 2k39 s ILE 13 Cb -0.24 -1.58 -0.04 0.00 -1.06 0.00 0.00 42.46 39.55 2k39 s ILE 13 CO 0.29 0.43 0.32 -0.89 -0.10 0.00 0.00 174.94 174.99 2k39 s THR 14 N -0.65 5.21 -0.12 2.92 2.01 -1.26 0.30 115.64 124.06 2k39 s THR 14 Ca 0.09 0.46 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 2k39 s THR 14 Cb -0.09 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2k39 s THR 14 CO 0.00 0.18 0.02 -0.76 -0.69 0.00 0.00 174.62 173.37 2k39 s LEU 15 N 1.98 3.63 0.03 4.42 1.43 0.04 -4.99 118.68 125.22 2k39 s LEU 15 Ca 0.13 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 2k39 s LEU 15 Cb -0.16 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 2k39 s LEU 15 CO 0.10 0.30 0.45 -1.61 0.23 0.00 0.00 176.35 175.83 2k39 s GLU 16 N -0.43 3.99 0.24 1.70 2.02 -1.26 -0.70 118.70 124.26 2k39 s GLU 16 Ca 0.08 0.49 -0.15 0.00 0.02 0.00 0.00 54.97 55.42 2k39 s GLU 16 Cb -0.12 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 30.91 2k39 s GLU 16 CO 0.02 0.67 0.52 0.14 0.02 0.00 0.00 175.26 176.63 2k39 s VAL 17 N -1.11 0.01 0.27 2.63 -7.23 -0.90 -4.96 120.40 109.10 2k39 s VAL 17 Ca 0.26 -1.20 0.11 0.00 -1.81 0.00 0.00 61.98 59.33 2k39 s VAL 17 Cb -0.17 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2k39 s VAL 17 CO 0.15 -0.04 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.19 2k39 s GLU 18 N -3.97 1.99 0.53 4.82 2.02 -1.26 -0.63 118.70 122.20 2k39 s GLU 18 Ca 0.17 -1.58 0.21 0.00 0.02 0.00 0.00 54.97 53.79 2k39 s GLU 18 Cb -0.02 -1.97 1.36 0.00 0.10 0.00 0.00 34.13 33.60 2k39 s GLU 18 CO 0.06 0.35 2.09 -1.00 0.02 0.00 0.00 175.26 176.78 2k39 h PRO 19 N 2.13 0.00 -0.60 0.39 0.13 -1.96 -3.08 132.00 129.01 2k39 h PRO 19 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k39 h PRO 19 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k39 h PRO 19 CO 0.60 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 2k39 n SER 20 N -4.41 3.37 -4.87 1.44 3.41 -1.26 -2.49 113.62 108.81 2k39 n SER 20 Ca 0.02 -2.09 -0.34 0.00 -0.26 0.00 0.00 58.87 56.20 2k39 n SER 20 Cb 0.29 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 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 -0.95 6.65 0.35 4.04 1.01 -1.16 -4.92 116.67 121.68 2k39 s ASP 21 Ca 0.40 0.84 -0.13 0.00 0.71 0.00 0.00 52.55 54.37 2k39 s ASP 21 Cb 0.22 -2.20 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 2k39 s ASP 21 CO 0.25 0.09 0.74 0.28 0.21 0.00 0.00 175.17 176.75 2k39 s THR 22 N -1.53 4.73 0.39 -1.27 -1.32 -1.26 -1.71 115.64 113.66 2k39 s THR 22 Ca 0.38 0.80 0.11 0.00 -1.21 0.00 0.00 61.69 61.77 2k39 s THR 22 Cb -0.13 -3.66 0.14 0.00 -1.51 0.00 0.00 72.50 67.34 2k39 s THR 22 CO 0.20 -0.31 1.90 0.40 -2.21 0.00 0.00 174.62 174.60 2k39 h ILE 23 N 1.63 1.19 -0.77 5.08 2.04 -1.67 -2.56 117.51 122.44 2k39 h ILE 23 Ca -0.48 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 2k39 h ILE 23 Cb 1.18 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.59 2k39 h ILE 23 CO 0.65 0.27 0.32 1.05 0.00 0.00 0.00 178.15 180.43 2k39 h GLU 24 N 0.13 1.15 -0.05 2.37 9.09 -1.95 -2.80 114.58 122.53 2k39 h GLU 24 Ca 0.02 -0.21 -0.09 0.00 0.05 0.00 0.00 59.36 59.13 2k39 h GLU 24 Cb 0.45 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 2k39 h GLU 24 CO 0.03 0.93 -0.40 -0.91 0.05 0.00 0.00 179.01 178.71 2k39 h ASN 25 N 1.12 0.10 0.18 3.06 4.21 -1.87 -0.70 115.58 121.67 2k39 h ASN 25 Ca 0.26 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.72 2k39 h ASN 25 Cb 0.21 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2k39 h ASN 25 CO -0.02 0.50 -0.10 0.58 -1.29 0.00 0.00 177.43 177.10 2k39 h VAL 26 N 0.09 0.79 -0.47 2.81 2.07 -1.48 -3.38 116.25 116.67 2k39 h VAL 26 Ca 0.01 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 2k39 h VAL 26 Cb 0.76 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2k39 h VAL 26 CO 0.06 0.00 -0.19 0.11 0.02 0.00 0.00 177.57 177.57 2k39 h LYS 27 N -0.26 0.96 0.00 1.57 1.57 -1.13 -3.24 116.57 116.05 2k39 h LYS 27 Ca -0.02 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2k39 h LYS 27 Cb 0.21 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2k39 h LYS 27 CO 0.03 1.07 0.00 0.00 -0.57 0.00 0.00 179.45 179.98 2k39 h ALA 28 N 0.86 1.00 -0.11 3.86 0.00 -1.33 -2.98 119.26 120.56 2k39 h ALA 28 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k39 h ALA 28 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k39 h ALA 28 CO 0.06 0.00 -0.19 0.87 0.00 0.00 0.00 179.25 179.99 2k39 h LYS 29 N 0.00 0.19 0.00 0.00 1.57 -1.74 -3.04 116.57 113.54 2k39 h LYS 29 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k39 h LYS 29 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2k39 h LYS 29 CO 0.00 0.38 0.00 0.82 -0.57 0.00 0.00 179.45 180.08 2k39 h ILE 30 N 0.17 0.00 -0.47 1.86 1.08 -1.73 -2.69 117.51 115.74 2k39 h ILE 30 Ca 0.03 -0.47 -0.10 0.00 -0.39 0.00 0.00 64.86 63.93 2k39 h ILE 30 Cb 0.45 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 2k39 h ILE 30 CO 0.03 0.00 -0.12 -0.61 -0.69 0.00 0.00 178.15 176.75 2k39 h GLN 31 N 0.00 0.86 -0.15 2.37 5.75 -1.47 0.85 115.11 123.32 2k39 h GLN 31 Ca 0.00 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.17 2k39 h GLN 31 Cb 0.59 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2k39 h GLN 31 CO 0.00 0.94 0.01 0.22 -2.65 0.00 0.00 178.83 177.35 2k39 h ASP 32 N 0.77 0.25 0.00 -0.69 3.58 -1.65 -3.32 116.42 115.37 2k39 h ASP 32 Ca 0.12 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2k39 h ASP 32 Cb 0.64 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2k39 h ASP 32 CO 0.04 0.47 0.00 0.29 -2.88 0.00 0.00 179.24 177.16 2k39 n LYS 33 N -4.78 0.00 -0.01 0.28 4.01 -1.09 -4.74 118.16 111.83 2k39 n LYS 33 Ca -0.05 0.23 0.10 0.00 -0.51 0.00 0.00 58.31 58.08 2k39 n LYS 33 Cb 0.20 -0.89 -0.16 0.00 -0.51 0.00 0.00 35.03 33.67 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2k39 n GLU 34 N -1.20 0.62 0.00 1.97 -0.58 0.14 -5.00 120.64 116.59 2k39 n GLU 34 Ca 0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2k39 n GLU 34 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 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 1.34 1.09 3.65 0.62 0.00 -0.33 -5.02 105.19 106.55 2k39 n GLY 35 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 5.22 1.12 -0.61 1.01 -1.20 -4.78 121.20 119.96 2k39 s ILE 36 Ca 0.00 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 2k39 s ILE 36 Cb 0.00 -3.68 0.25 0.00 0.01 0.00 0.00 42.46 39.03 2k39 s ILE 36 CO 0.00 0.24 1.08 -2.16 0.00 0.00 0.00 174.94 174.10 2k39 s PRO 37 N 1.45 -0.51 0.03 2.79 0.04 -1.26 -3.12 135.00 134.41 2k39 s PRO 37 Ca 0.16 0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.36 2k39 s PRO 37 Cb -0.15 -1.64 -0.23 0.00 0.04 0.00 0.00 34.50 32.52 2k39 s PRO 37 CO 0.08 -3.33 1.14 -1.00 0.04 0.00 0.00 177.00 173.93 2k39 h PRO 38 N -2.31 0.53 0.00 0.56 0.13 -1.92 -3.02 132.00 125.96 2k39 h PRO 38 Ca -0.52 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.04 2k39 h PRO 38 Cb 1.32 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2k39 h PRO 38 CO 0.48 1.19 0.00 0.22 -0.23 0.00 0.00 178.00 179.66 2k39 h ASP 39 N 0.09 0.00 0.00 1.44 3.58 -1.97 -3.25 116.42 116.32 2k39 h ASP 39 Ca -0.10 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.04 2k39 h ASP 39 Cb 1.46 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.45 2k39 h ASP 39 CO 0.15 0.00 -2.17 1.67 -2.88 0.00 0.00 179.24 176.01 2k39 n GLN 40 N -2.35 0.94 -1.60 0.28 7.27 -1.25 -4.92 117.38 115.75 2k39 n GLN 40 Ca 0.02 0.05 -0.47 0.00 0.07 0.00 0.00 57.00 56.67 2k39 n GLN 40 Cb 0.26 -1.43 -0.03 0.00 2.41 0.00 0.00 30.24 31.45 2k39 n GLN 40 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2k39 n GLN 41 N -2.85 1.38 -4.15 3.69 7.27 -1.14 -0.95 117.38 120.64 2k39 n GLN 41 Ca -0.32 0.49 -0.11 0.00 0.07 0.00 0.00 57.00 57.14 2k39 n GLN 41 Cb 0.98 -2.02 -0.10 0.00 2.41 0.00 0.00 30.24 31.51 2k39 n GLN 41 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2k39 s ARG 42 N -0.49 0.77 0.10 3.69 1.81 0.29 -4.84 118.95 120.28 2k39 s ARG 42 Ca 0.71 -1.23 0.06 0.00 -1.72 0.00 0.00 55.73 53.54 2k39 s ARG 42 Cb -0.79 -0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 33.49 2k39 s ARG 42 CO 0.52 -0.01 -0.15 -0.51 -0.68 0.00 0.00 175.30 174.47 2k39 s LEU 43 N -2.79 2.34 -0.04 2.53 1.43 -1.26 -0.74 118.68 120.15 2k39 s LEU 43 Ca 0.08 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 2k39 s LEU 43 Cb 0.03 -0.56 0.02 0.00 0.03 0.00 0.00 46.19 45.71 2k39 s LEU 43 CO -0.04 -0.10 -0.02 -0.63 0.23 0.00 0.00 176.35 175.78 2k39 s ILE 44 N -1.69 0.37 -0.19 -0.59 1.01 -1.12 -3.78 121.20 115.22 2k39 s ILE 44 Ca 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2k39 s ILE 44 Cb -0.07 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 41.99 2k39 s ILE 44 CO 0.03 0.19 -0.18 0.12 0.00 0.00 0.00 174.94 175.09 2k39 s PHE 45 N 0.98 2.82 -1.43 3.97 5.36 -0.17 -1.88 117.98 127.64 2k39 s PHE 45 Ca -0.10 -1.74 -0.02 0.00 -0.96 0.00 0.00 56.93 54.11 2k39 s PHE 45 Cb -0.14 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 2k39 s PHE 45 CO -0.01 -0.81 0.32 0.00 -1.46 0.00 0.00 175.22 173.26 2k39 n ALA 46 N 4.60 -2.05 0.00 11.12 0.00 -1.26 -1.63 120.51 131.29 2k39 n ALA 46 Ca -0.20 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2k39 n ALA 46 Cb 0.49 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.14 2.31 3.45 0.00 0.00 -1.26 -5.00 105.19 102.55 2k39 n GLY 47 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.42 3.64 0.51 1.61 1.02 -0.65 -5.10 119.74 120.36 2k39 s LYS 48 Ca 0.00 -0.49 -0.19 0.00 0.02 0.00 0.00 55.97 55.32 2k39 s LYS 48 Cb 0.00 -3.34 -0.08 0.00 -0.52 0.00 0.00 37.83 33.89 2k39 s LYS 48 CO 0.00 -0.20 1.02 -0.65 -0.92 0.00 0.00 175.35 174.60 2k39 s GLN 49 N 1.62 3.77 -0.02 1.68 -0.21 -1.26 -0.99 119.66 124.25 2k39 s GLN 49 Ca 0.06 1.22 -0.00 0.00 0.02 0.00 0.00 55.36 56.66 2k39 s GLN 49 Cb -0.15 -2.10 0.02 0.00 1.00 0.00 0.00 33.01 31.78 2k39 s GLN 49 CO 0.04 -0.44 0.03 -0.48 -2.12 0.00 0.00 175.29 172.32 2k39 s LEU 50 N -3.77 1.27 0.52 2.90 2.34 -1.25 -4.94 118.68 115.75 2k39 s LEU 50 Ca 0.64 0.04 -0.05 0.00 0.06 0.00 0.00 54.13 54.83 2k39 s LEU 50 Cb -0.14 -0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.44 2k39 s LEU 50 CO 0.25 -0.10 0.81 -1.61 -1.06 0.00 0.00 176.35 174.64 2k39 s GLU 51 N 0.84 3.25 0.89 1.48 0.41 -1.26 -4.55 118.70 119.76 2k39 s GLU 51 Ca -0.07 0.04 -0.11 0.00 -0.41 0.00 0.00 54.97 54.43 2k39 s GLU 51 Cb -0.10 -2.36 0.13 0.00 -1.78 0.00 0.00 34.13 30.02 2k39 s GLU 51 CO -0.02 -0.40 1.11 -0.51 -0.49 0.00 0.00 175.26 174.94 2k39 s ASP 52 N -4.19 3.31 0.00 -0.19 1.11 -1.26 -4.65 116.67 110.80 2k39 s ASP 52 Ca 0.50 1.86 0.00 0.00 0.18 0.00 0.00 52.55 55.09 2k39 s ASP 52 Cb -0.10 -2.44 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2k39 s ASP 52 CO 0.44 -2.80 0.00 0.61 1.18 0.00 0.00 175.17 174.60 2k39 n GLY 53 N -0.45 1.02 3.54 0.21 0.00 -1.26 -5.02 105.19 103.23 2k39 n GLY 53 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2k39 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k39 s ARG 54 N -0.54 1.40 0.32 1.61 6.06 -1.26 -5.04 118.95 121.50 2k39 s ARG 54 Ca 0.00 -0.76 -0.16 0.00 -2.50 0.00 0.00 55.73 52.31 2k39 s ARG 54 Cb 0.00 0.55 -0.09 0.00 0.06 0.00 0.00 34.95 35.47 2k39 s ARG 54 CO 0.00 -0.61 0.75 0.95 -2.50 0.00 0.00 175.30 173.89 2k39 s THR 55 N -3.84 4.65 0.31 4.11 -4.23 -1.26 -1.70 115.64 113.68 2k39 s THR 55 Ca 0.07 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.61 2k39 s THR 55 Cb -0.02 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.31 2k39 s THR 55 CO -0.05 -0.15 1.81 -0.07 -0.54 0.00 0.00 174.62 175.62 2k39 h LEU 56 N 2.35 0.53 -0.83 4.79 3.38 -1.43 -3.16 115.31 120.95 2k39 h LEU 56 Ca -0.48 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 57.46 2k39 h LEU 56 Cb 1.18 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 2k39 h LEU 56 CO 0.65 0.66 -0.40 -1.54 0.09 0.00 0.00 178.44 177.90 2k39 n SER 57 N -4.22 -0.70 0.21 -0.43 3.41 -1.04 -1.51 113.62 109.34 2k39 n SER 57 Ca 0.01 1.46 0.07 0.00 -0.26 0.00 0.00 58.87 60.15 2k39 n SER 57 Cb 0.30 -0.26 0.47 0.00 -0.26 0.00 0.00 64.21 64.46 2k39 n SER 57 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k39 h ASP 58 N 0.00 0.00 -0.21 4.04 3.58 -1.87 -2.77 116.42 119.19 2k39 h ASP 58 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2k39 h ASP 58 Cb 0.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k39 h ASP 58 CO -0.80 0.28 0.00 -1.22 -2.88 0.00 0.00 179.24 174.62 2k39 n TYR 59 N -3.80 0.26 -2.17 0.28 4.01 -0.78 -4.98 117.16 109.98 2k39 n TYR 59 Ca -0.01 -0.14 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 2k39 n TYR 59 Cb 0.38 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.40 2k39 n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2k39 n ASN 60 N 1.35 -3.73 -4.69 7.72 0.23 -0.57 -5.00 115.26 110.56 2k39 n ASN 60 Ca 0.16 0.01 -0.41 0.00 -0.53 0.00 0.00 54.58 53.81 2k39 n ASN 60 Cb 0.58 -2.92 -0.04 0.00 -2.08 0.00 0.00 39.78 35.32 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2k39 s ILE 61 N -2.56 4.92 0.53 1.53 1.01 -0.94 -5.03 121.20 120.66 2k39 s ILE 61 Ca 0.00 1.71 0.03 0.00 0.00 0.00 0.00 60.65 62.39 2k39 s ILE 61 Cb 0.00 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2k39 s ILE 61 CO 0.00 0.12 0.18 -1.10 0.00 0.00 0.00 174.94 174.14 2k39 s GLN 62 N 1.48 2.23 0.25 2.79 -1.52 -1.26 -4.56 119.66 119.05 2k39 s GLN 62 Ca 0.42 -2.25 -0.31 0.00 -1.95 0.00 0.00 55.36 51.27 2k39 s GLN 62 Cb -0.18 -1.77 -0.13 0.00 -0.22 0.00 0.00 33.01 30.70 2k39 s GLN 62 CO 0.18 -0.49 1.38 0.36 -0.25 0.00 0.00 175.29 176.48 2k39 n LYS 63 N -1.50 2.00 -2.18 2.91 -0.00 -1.26 -3.45 118.16 114.69 2k39 n LYS 63 Ca -0.12 0.71 -0.19 0.00 -0.00 0.00 0.00 58.31 58.71 2k39 n LYS 63 Cb 0.66 -2.35 -0.03 0.00 -0.00 0.00 0.00 35.03 33.31 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 1.88 -1.51 -1.90 -1.58 1.02 0.15 -4.98 120.64 113.72 2k39 n GLU 64 Ca 0.11 1.00 -0.37 0.00 -0.02 0.00 0.00 57.16 57.88 2k39 n GLU 64 Cb 0.32 -5.52 0.04 0.00 -0.02 0.00 0.00 31.44 26.25 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 -2.28 5.26 -0.32 1.62 0.01 -1.22 -4.79 113.70 111.98 2k39 s SER 65 Ca 0.00 2.59 -0.03 0.00 1.31 0.00 0.00 55.95 59.82 2k39 s SER 65 Cb 0.00 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.67 2k39 s SER 65 CO 0.00 -1.56 0.05 0.42 0.41 0.00 0.00 173.24 172.56 2k39 s THR 66 N -1.42 3.16 0.11 1.44 -4.23 -1.26 -0.87 115.64 112.57 2k39 s THR 66 Ca 0.74 -1.46 0.06 0.00 -1.18 0.00 0.00 61.69 59.85 2k39 s THR 66 Cb -0.36 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.57 2k39 s THR 66 CO 0.41 -0.21 -0.04 -0.76 -0.54 0.00 0.00 174.62 173.48 2k39 s LEU 67 N 1.26 3.29 0.10 4.79 1.02 -0.09 -4.59 118.68 124.45 2k39 s LEU 67 Ca -0.02 -0.28 -0.21 0.00 0.02 0.00 0.00 54.13 53.63 2k39 s LEU 67 Cb -0.20 -2.03 -0.07 0.00 0.02 0.00 0.00 46.19 43.91 2k39 s LEU 67 CO -0.01 0.16 0.63 -1.00 0.02 0.00 0.00 176.35 176.15 2k39 s HIS 68 N -1.34 3.84 -0.19 0.29 3.76 -0.79 -0.79 115.29 120.07 2k39 s HIS 68 Ca 0.24 1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 56.53 2k39 s HIS 68 Cb -0.11 -2.58 0.01 0.00 1.11 0.00 0.00 32.58 31.01 2k39 s HIS 68 CO 0.17 0.57 -0.14 -1.17 -0.85 0.00 0.00 174.74 173.31 2k39 s LEU 69 N -1.11 2.44 0.22 0.89 0.20 -0.05 -2.77 118.68 118.50 2k39 s LEU 69 Ca 0.31 -0.53 0.03 0.00 0.69 0.00 0.00 54.13 54.62 2k39 s LEU 69 Cb -0.21 -1.58 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 2k39 s LEU 69 CO 0.21 0.01 0.01 0.68 -0.29 0.00 0.00 176.35 176.97 2k39 s VAL 70 N 1.28 0.86 -0.10 1.68 -7.23 0.08 -3.18 120.40 113.78 2k39 s VAL 70 Ca 0.04 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2k39 s VAL 70 Cb -0.14 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.44 2k39 s VAL 70 CO -0.08 -0.31 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.62 2k39 s LEU 71 N -3.27 3.45 -0.26 1.32 1.02 -1.26 0.11 118.68 119.79 2k39 s LEU 71 Ca 0.29 0.06 -0.25 0.00 0.02 0.00 0.00 54.13 54.25 2k39 s LEU 71 Cb 0.06 -1.79 -0.00 0.00 0.02 0.00 0.00 46.19 44.48 2k39 s LEU 71 CO 0.08 0.33 0.84 -0.60 0.02 0.00 0.00 176.35 177.02 2k39 s ARG 72 N -0.58 4.14 -0.36 1.70 3.52 -0.12 -4.86 118.95 122.39 2k39 s ARG 72 Ca 0.09 0.90 -0.16 0.00 -0.13 0.00 0.00 55.73 56.43 2k39 s ARG 72 Cb -0.12 -3.66 -0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2k39 s ARG 72 CO 0.02 -0.57 0.42 -0.51 -0.81 0.00 0.00 175.30 173.85 2k39 s LEU 73 N 2.92 4.48 -0.02 -0.88 1.43 -1.26 -4.89 118.68 120.46 2k39 s LEU 73 Ca 0.35 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2k39 s LEU 73 Cb -0.15 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2k39 s LEU 73 CO 0.09 -0.43 0.06 -0.13 0.23 0.00 0.00 176.35 176.17 2k39 s ARG 74 N 2.16 3.04 -0.44 1.70 0.52 -1.26 -5.05 118.95 119.62 2k39 s ARG 74 Ca 0.14 -0.47 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 2k39 s ARG 74 Cb -0.16 -2.85 0.41 0.00 0.52 0.00 0.00 34.95 32.88 2k39 s ARG 74 CO 0.13 0.66 1.05 0.41 0.02 0.00 0.00 175.30 177.57 2k39 n GLY 75 N 1.39 5.17 0.00 -3.53 0.00 -1.26 -5.31 105.19 101.65 2k39 n GLY 75 Ca -0.14 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.37 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93