#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 3.78 0.07 3.17 -0.21 -1.26 -0.46 119.66 124.74 2k39 s GLN 2 Ca 0.00 -0.23 0.08 0.00 0.02 0.00 0.00 55.36 55.23 2k39 s GLN 2 Cb 0.00 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.74 2k39 s GLN 2 CO 0.00 0.50 -0.21 0.96 -2.12 0.00 0.00 175.29 174.43 2k39 s ILE 3 N -0.25 1.69 -0.14 1.08 -5.25 -0.91 0.37 121.20 117.79 2k39 s ILE 3 Ca 0.10 -1.34 -0.05 0.00 -0.99 0.00 0.00 60.65 58.37 2k39 s ILE 3 Cb -0.12 -1.49 -0.04 0.00 2.95 0.00 0.00 42.46 43.77 2k39 s ILE 3 CO 0.01 0.10 0.02 -0.36 -1.79 0.00 0.00 174.94 172.92 2k39 s PHE 4 N -0.95 3.19 -0.06 1.37 0.08 -1.10 -0.78 117.98 119.74 2k39 s PHE 4 Ca 0.07 0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.22 2k39 s PHE 4 Cb -0.09 -1.95 -0.00 0.00 -0.57 0.00 0.00 43.02 40.41 2k39 s PHE 4 CO 0.03 0.25 -0.21 0.08 -0.10 0.00 0.00 175.22 175.27 2k39 s VAL 5 N -0.13 1.73 -0.22 -0.44 1.01 0.11 -1.60 120.40 120.86 2k39 s VAL 5 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 2k39 s VAL 5 Cb -0.12 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2k39 s VAL 5 CO 0.02 0.49 0.02 -0.75 0.00 0.00 0.00 175.10 174.87 2k39 s LYS 6 N 0.07 3.58 0.48 2.72 2.20 -0.27 0.01 119.74 128.54 2k39 s LYS 6 Ca -0.07 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 54.84 2k39 s LYS 6 Cb -0.14 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.95 2k39 s LYS 6 CO 0.04 -0.09 0.96 0.95 -0.36 0.00 0.00 175.35 176.85 2k39 s THR 7 N 1.29 4.51 0.22 3.43 -4.23 -0.95 -1.81 115.64 118.10 2k39 s THR 7 Ca 0.04 1.25 0.21 0.00 -1.18 0.00 0.00 61.69 62.01 2k39 s THR 7 Cb -0.15 -3.69 0.18 0.00 1.34 0.00 0.00 72.50 70.19 2k39 s THR 7 CO 0.01 -0.58 1.82 0.25 -0.54 0.00 0.00 174.62 175.59 2k39 h LEU 8 N 1.21 0.00 -3.53 4.79 5.85 -1.90 -2.01 115.31 119.72 2k39 h LEU 8 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k39 h LEU 8 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k39 h LEU 8 CO 0.62 0.29 0.00 0.35 -0.34 0.00 0.00 178.44 179.36 2k39 n THR 9 N -3.56 2.70 0.00 1.05 -2.24 -1.26 -4.99 114.28 105.97 2k39 n THR 9 Ca -0.01 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 2k39 n THR 9 Cb 0.43 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.60 1.20 3.94 3.38 0.00 -0.75 -5.11 105.19 108.45 2k39 n GLY 10 Ca 0.28 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 2k39 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k39 s LYS 11 N -0.15 2.62 -0.28 1.61 1.02 -1.26 -4.97 119.74 118.33 2k39 s LYS 11 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 55.97 54.54 2k39 s LYS 11 Cb 0.00 -2.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.86 2k39 s LYS 11 CO 0.00 -0.30 0.04 0.99 -0.92 0.00 0.00 175.35 175.16 2k39 s THR 12 N -2.46 1.29 -0.29 2.17 2.01 -1.26 -2.24 115.64 114.85 2k39 s THR 12 Ca 0.51 -1.44 -0.28 0.00 0.31 0.00 0.00 61.69 60.80 2k39 s THR 12 Cb -0.06 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.64 2k39 s THR 12 CO 0.30 -0.45 1.02 -0.63 -0.69 0.00 0.00 174.62 174.17 2k39 s ILE 13 N 1.45 4.60 -0.51 1.82 -1.09 0.10 -4.89 121.20 122.68 2k39 s ILE 13 Ca 0.04 1.72 -0.19 0.00 -2.23 0.00 0.00 60.65 60.00 2k39 s ILE 13 Cb -0.18 -4.34 0.06 0.00 -1.58 0.00 0.00 42.46 36.41 2k39 s ILE 13 CO -0.15 -0.36 0.63 -0.89 -1.23 0.00 0.00 174.94 172.95 2k39 s THR 14 N 3.42 4.86 0.44 2.92 2.01 -1.26 0.06 115.64 128.08 2k39 s THR 14 Ca 0.43 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 2k39 s THR 14 Cb -0.13 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 2k39 s THR 14 CO 0.12 -0.81 0.73 -0.76 -0.69 0.00 0.00 174.62 173.21 2k39 s LEU 15 N 2.67 3.74 -0.13 4.42 1.43 0.04 -4.98 118.68 125.87 2k39 s LEU 15 Ca 0.16 0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2k39 s LEU 15 Cb -0.19 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 2k39 s LEU 15 CO 0.12 -0.49 -0.01 -0.70 0.23 0.00 0.00 176.35 175.50 2k39 s GLU 16 N -4.53 3.45 0.31 1.70 2.12 -1.26 -2.14 118.70 118.35 2k39 s GLU 16 Ca 0.46 -0.45 0.07 0.00 0.36 0.00 0.00 54.97 55.41 2k39 s GLU 16 Cb -0.10 -2.91 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 2k39 s GLU 16 CO 0.41 0.43 0.26 1.33 -0.54 0.00 0.00 175.26 177.15 2k39 n VAL 17 N 2.99 0.00 -4.03 3.70 0.24 0.40 -4.98 118.33 116.64 2k39 n VAL 17 Ca -0.18 -2.27 -0.08 0.00 -2.04 0.00 0.00 64.34 59.77 2k39 n VAL 17 Cb 0.53 1.12 -0.10 0.00 -1.47 0.00 0.00 33.84 33.91 2k39 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2k39 s GLU 18 N -3.27 0.47 0.26 7.34 0.41 -1.26 0.74 118.70 123.39 2k39 s GLU 18 Ca 0.36 -0.92 -0.04 0.00 -0.41 0.00 0.00 54.97 53.97 2k39 s GLU 18 Cb 0.02 0.16 0.33 0.00 -1.78 0.00 0.00 34.13 32.86 2k39 s GLU 18 CO 0.26 -0.08 1.85 -1.00 -0.49 0.00 0.00 175.26 175.80 2k39 h PRO 19 N 3.88 1.03 0.00 0.39 0.13 -1.97 -3.05 132.00 132.41 2k39 h PRO 19 Ca -0.33 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k39 h PRO 19 Cb 1.17 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2k39 h PRO 19 CO 0.54 0.81 0.00 0.43 -0.23 0.00 0.00 178.00 179.55 2k39 n SER 20 N -4.31 0.00 -4.75 1.44 7.64 -1.26 -1.50 113.62 110.88 2k39 n SER 20 Ca 0.07 0.42 -0.41 0.00 1.01 0.00 0.00 58.87 59.95 2k39 n SER 20 Cb 0.15 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 2k39 n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k39 s ASP 21 N -2.94 6.86 0.53 6.43 2.15 -1.15 -4.84 116.67 123.69 2k39 s ASP 21 Ca 0.14 2.49 -0.17 0.00 0.43 0.00 0.00 52.55 55.44 2k39 s ASP 21 Cb 0.17 -2.62 -0.07 0.00 -0.30 0.00 0.00 42.92 40.10 2k39 s ASP 21 CO 0.46 -0.53 1.00 0.42 -0.17 0.00 0.00 175.17 176.35 2k39 s THR 22 N -0.22 4.31 -0.55 1.71 -4.23 -1.26 -2.73 115.64 112.68 2k39 s THR 22 Ca 0.55 1.15 0.25 0.00 -1.18 0.00 0.00 61.69 62.46 2k39 s THR 22 Cb -0.38 -3.62 0.32 0.00 1.34 0.00 0.00 72.50 70.16 2k39 s THR 22 CO 0.42 -0.59 1.70 0.40 -0.54 0.00 0.00 174.62 176.01 2k39 h ILE 23 N 0.91 0.00 0.08 2.99 1.08 -1.70 -1.34 117.51 119.54 2k39 h ILE 23 Ca -0.47 -0.73 -0.18 0.00 -0.39 0.00 0.00 64.86 63.09 2k39 h ILE 23 Cb 1.19 1.72 0.02 0.00 -3.07 0.00 0.00 36.82 36.69 2k39 h ILE 23 CO 0.60 0.00 -0.75 -0.08 -0.69 0.00 0.00 178.15 177.24 2k39 h GLU 24 N 0.00 0.37 0.02 2.37 4.81 -1.94 -0.26 114.58 119.95 2k39 h GLU 24 Ca 0.00 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2k39 h GLU 24 Cb 0.85 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2k39 h GLU 24 CO 0.00 1.19 -0.01 -0.91 -0.73 0.00 0.00 179.01 178.55 2k39 h ASN 25 N -0.22 -0.03 -0.96 1.04 4.21 -1.94 -3.27 115.58 114.41 2k39 h ASN 25 Ca -0.12 -0.14 0.15 0.00 1.21 0.00 0.00 56.30 57.40 2k39 h ASN 25 Cb 1.52 0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 38.63 2k39 h ASN 25 CO 0.14 0.12 0.58 0.58 -1.29 0.00 0.00 177.43 177.56 2k39 h VAL 26 N -0.17 0.81 -1.34 2.81 2.07 -1.16 0.15 116.25 119.42 2k39 h VAL 26 Ca -0.00 -0.29 0.44 0.00 0.82 0.00 0.00 66.70 67.67 2k39 h VAL 26 Cb 0.16 -0.10 -0.13 0.00 -1.52 0.00 0.00 31.29 29.71 2k39 h VAL 26 CO 0.01 0.15 0.87 0.11 0.02 0.00 0.00 177.57 178.72 2k39 h LYS 27 N 0.83 0.08 0.00 1.57 1.57 -1.09 -1.74 116.57 117.79 2k39 h LYS 27 Ca 0.51 -0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 59.01 2k39 h LYS 27 Cb 0.66 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 2k39 h LYS 27 CO -0.32 0.05 -2.07 0.00 -0.57 0.00 0.00 179.45 176.54 2k39 n ALA 28 N -2.53 1.73 0.15 3.86 0.00 -0.01 -3.87 120.51 119.84 2k39 n ALA 28 Ca 0.37 -1.01 0.06 0.00 0.00 0.00 0.00 53.44 52.86 2k39 n ALA 28 Cb 1.45 -0.49 0.52 0.00 0.00 0.00 0.00 19.45 20.92 2k39 n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k39 h LYS 29 N 0.00 0.22 -0.30 0.00 1.57 -0.99 -2.11 116.57 114.96 2k39 h LYS 29 Ca -0.37 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.22 2k39 h LYS 29 Cb 1.94 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.21 2k39 h LYS 29 CO 0.04 0.19 -0.47 0.97 -0.57 0.00 0.00 179.45 179.61 2k39 h ILE 30 N 0.22 1.28 -0.67 1.86 2.10 -1.50 -3.18 117.51 117.62 2k39 h ILE 30 Ca 0.06 -1.65 0.02 0.00 1.08 0.00 0.00 64.86 64.37 2k39 h ILE 30 Cb 0.06 1.61 -0.04 0.00 -1.09 0.00 0.00 36.82 37.36 2k39 h ILE 30 CO -0.01 0.54 0.45 -0.61 -1.08 0.00 0.00 178.15 177.44 2k39 h GLN 31 N 0.61 0.82 0.00 2.19 4.15 -1.66 -2.42 115.11 118.80 2k39 h GLN 31 Ca 0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2k39 h GLN 31 Cb 1.07 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2k39 h GLN 31 CO 0.11 0.54 0.00 -3.47 -1.93 0.00 0.00 178.83 174.08 2k39 n ASP 32 N -4.45 0.11 0.00 -0.69 -0.08 -0.80 -1.41 116.55 109.23 2k39 n ASP 32 Ca 0.08 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.88 2k39 n ASP 32 Cb 0.10 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.01 2k39 n ASP 32 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2k39 n LYS 33 N -1.61 0.00 0.00 -0.67 4.01 -0.93 -4.83 118.16 114.13 2k39 n LYS 33 Ca 0.05 0.10 0.12 0.00 -0.51 0.00 0.00 58.31 58.06 2k39 n LYS 33 Cb 0.25 -0.55 0.09 0.00 -0.51 0.00 0.00 35.03 34.30 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 -0.95 1.48 -0.85 1.97 -0.58 -1.10 -4.97 120.64 115.63 2k39 n GLU 34 Ca 0.00 -1.18 0.00 0.00 -0.42 0.00 0.00 57.16 55.56 2k39 n GLU 34 Cb 0.00 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.39 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 1.38 0.65 3.66 0.62 0.00 -0.50 -5.01 105.19 105.99 2k39 n GLY 35 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.35 4.23 0.30 -0.61 1.01 -1.26 -5.01 121.20 117.50 2k39 s ILE 36 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 60.65 61.86 2k39 s ILE 36 Cb 0.00 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 2k39 s ILE 36 CO 0.00 -0.12 1.09 -2.16 0.00 0.00 0.00 174.94 173.75 2k39 s PRO 37 N 3.38 4.56 0.00 2.79 0.04 -1.26 -4.27 135.00 140.23 2k39 s PRO 37 Ca 0.56 1.75 0.15 0.00 0.04 0.00 0.00 61.00 63.51 2k39 s PRO 37 Cb -0.23 -3.08 0.73 0.00 0.04 0.00 0.00 34.50 31.96 2k39 s PRO 37 CO 0.16 0.15 1.45 -0.35 0.04 0.00 0.00 177.00 178.46 2k39 n PRO 38 N 0.98 0.15 0.00 0.56 -0.04 -1.26 -2.19 135.00 133.19 2k39 n PRO 38 Ca -0.00 0.17 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2k39 n PRO 38 Cb 0.46 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.86 2k39 n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k39 n ASP 39 N -1.36 0.00 -0.00 3.54 2.03 -1.26 -3.50 116.55 116.00 2k39 n ASP 39 Ca 0.06 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2k39 n ASP 39 Cb 0.14 -0.49 -0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k39 n GLN 40 N -1.49 5.65 -3.27 -0.67 6.02 -0.93 -4.95 117.38 117.74 2k39 n GLN 40 Ca 0.05 -0.08 -0.30 0.00 -0.01 0.00 0.00 57.00 56.66 2k39 n GLN 40 Cb 0.24 -0.60 -0.04 0.00 1.02 0.00 0.00 30.24 30.86 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 -0.90 3.74 -0.11 -1.09 -0.21 -1.23 -1.17 119.66 118.69 2k39 s GLN 41 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.60 2k39 s GLN 41 Cb 0.00 -2.59 0.02 0.00 1.00 0.00 0.00 33.01 31.45 2k39 s GLN 41 CO 0.02 0.20 -0.10 0.50 -2.12 0.00 0.00 175.29 173.79 2k39 s ARG 42 N -3.31 1.77 -0.34 2.91 3.52 -1.17 -4.73 118.95 117.58 2k39 s ARG 42 Ca 0.47 -0.37 -0.28 0.00 -0.13 0.00 0.00 55.73 55.42 2k39 s ARG 42 Cb -0.11 -1.69 0.02 0.00 -1.56 0.00 0.00 34.95 31.61 2k39 s ARG 42 CO 0.26 -0.20 1.05 -0.51 -0.81 0.00 0.00 175.30 175.10 2k39 s LEU 43 N 1.43 3.92 -0.08 -0.88 2.01 -1.26 -4.21 118.68 119.61 2k39 s LEU 43 Ca 0.01 0.91 0.03 0.00 0.01 0.00 0.00 54.13 55.09 2k39 s LEU 43 Cb -0.13 -3.49 -0.02 0.00 0.01 0.00 0.00 46.19 42.57 2k39 s LEU 43 CO -0.06 -0.91 -0.18 -0.63 1.01 0.00 0.00 176.35 175.58 2k39 s ILE 44 N 3.68 2.69 -0.20 -0.59 1.01 -1.26 -1.03 121.20 125.51 2k39 s ILE 44 Ca 0.44 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 2k39 s ILE 44 Cb -0.12 -2.06 -0.20 0.00 0.01 0.00 0.00 42.46 40.09 2k39 s ILE 44 CO 0.17 0.56 0.30 0.15 0.00 0.00 0.00 174.94 176.13 2k39 h PHE 45 N 6.07 0.01 0.00 3.97 3.57 -1.26 -3.46 116.94 125.84 2k39 h PHE 45 Ca -0.34 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2k39 h PHE 45 Cb 1.18 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2k39 h PHE 45 CO 0.48 1.42 0.00 0.00 -2.23 0.00 0.00 178.31 177.97 2k39 n ALA 46 N -3.29 0.91 0.00 2.41 0.00 -1.26 -4.94 120.51 114.35 2k39 n ALA 46 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2k39 n ALA 46 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.38 0.88 3.15 0.00 0.00 -1.26 -5.15 105.19 102.43 2k39 n GLY 47 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.88 0.73 0.30 1.61 1.02 -1.26 -5.07 119.74 116.19 2k39 s LYS 48 Ca 0.00 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.61 2k39 s LYS 48 Cb 0.00 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.49 2k39 s LYS 48 CO 0.00 -0.19 0.97 -1.14 -0.92 0.00 0.00 175.35 174.07 2k39 s GLN 49 N -3.90 4.63 -0.47 1.68 0.74 -1.26 -0.73 119.66 120.35 2k39 s GLN 49 Ca 0.07 1.44 -0.25 0.00 0.05 0.00 0.00 55.36 56.67 2k39 s GLN 49 Cb 0.07 -2.95 0.03 0.00 1.10 0.00 0.00 33.01 31.26 2k39 s GLN 49 CO -0.10 0.30 0.91 -0.51 -0.55 0.00 0.00 175.29 175.33 2k39 s LEU 50 N -1.81 4.06 0.06 3.68 1.02 -0.20 -4.86 118.68 120.64 2k39 s LEU 50 Ca 0.48 0.00 -0.31 0.00 0.02 0.00 0.00 54.13 54.32 2k39 s LEU 50 Cb -0.22 -3.10 -0.06 0.00 0.02 0.00 0.00 46.19 42.82 2k39 s LEU 50 CO 0.28 -1.06 1.32 -0.70 0.02 0.00 0.00 176.35 176.21 2k39 s GLU 51 N 3.72 4.35 -0.09 1.70 2.12 -1.26 -4.80 118.70 124.43 2k39 s GLU 51 Ca 0.35 1.93 -0.36 0.00 0.36 0.00 0.00 54.97 57.25 2k39 s GLU 51 Cb -0.11 -3.38 -0.13 0.00 0.26 0.00 0.00 34.13 30.77 2k39 s GLU 51 CO 0.25 -0.41 1.76 -0.25 -0.54 0.00 0.00 175.26 176.06 2k39 n ASP 52 N 4.36 2.97 0.00 -1.70 8.00 -1.26 -3.29 116.55 125.63 2k39 n ASP 52 Ca 0.11 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.64 2k39 n ASP 52 Cb 0.44 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k39 n GLY 53 N 4.05 1.74 3.48 0.44 0.00 -1.26 -5.11 105.19 108.52 2k39 n GLY 53 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.01 1.72 0.32 1.61 0.52 -1.21 -5.09 118.95 116.81 2k39 s ARG 54 Ca 0.00 -1.97 0.10 0.00 -0.52 0.00 0.00 55.73 53.34 2k39 s ARG 54 Cb 0.00 -0.94 -0.05 0.00 0.52 0.00 0.00 34.95 34.47 2k39 s ARG 54 CO 0.00 -0.20 -0.08 0.95 0.02 0.00 0.00 175.30 175.98 2k39 s THR 55 N -3.22 2.56 0.28 0.02 -4.23 -1.26 -1.82 115.64 107.98 2k39 s THR 55 Ca 0.35 -2.16 0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2k39 s THR 55 Cb 0.08 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.58 2k39 s THR 55 CO 0.15 -0.28 1.75 -0.07 -0.54 0.00 0.00 174.62 175.63 2k39 h LEU 56 N 2.02 0.57 -2.66 4.79 4.07 -1.29 -2.89 115.31 119.91 2k39 h LEU 56 Ca -0.42 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.65 2k39 h LEU 56 Cb 1.25 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.02 2k39 h LEU 56 CO 0.65 0.18 -0.01 -1.28 -1.08 0.00 0.00 178.44 176.90 2k39 h SER 57 N 0.61 0.00 -0.24 -0.43 0.87 -1.56 -0.94 113.55 111.86 2k39 h SER 57 Ca 0.53 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.95 2k39 h SER 57 Cb 0.86 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2k39 h SER 57 CO -0.41 0.01 -0.36 0.44 -0.53 0.00 0.00 176.83 175.98 2k39 h ASP 58 N 0.00 0.81 -0.01 6.23 3.32 -1.81 -3.30 116.42 121.65 2k39 h ASP 58 Ca -0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2k39 h ASP 58 Cb 0.05 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2k39 h ASP 58 CO 0.00 1.08 -0.13 -1.22 -1.72 0.00 0.00 179.24 177.26 2k39 n TYR 59 N -4.06 0.00 -1.07 4.55 4.01 -0.47 -4.96 117.16 115.16 2k39 n TYR 59 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 2k39 n TYR 59 Cb 0.51 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.52 2k39 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2k39 n ASN 60 N 0.81 -3.80 -4.67 7.72 3.02 -0.53 -4.98 115.26 112.83 2k39 n ASN 60 Ca 0.13 0.06 -0.47 0.00 -0.03 0.00 0.00 54.58 54.28 2k39 n ASN 60 Cb 0.53 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2k39 n ILE 61 N -2.76 0.27 -4.34 2.41 5.41 -1.16 -5.00 119.36 114.19 2k39 n ILE 61 Ca -0.03 -0.05 -0.17 0.00 1.00 0.00 0.00 62.75 63.50 2k39 n ILE 61 Cb 0.16 -1.71 -0.10 0.00 -0.71 0.00 0.00 39.64 37.28 2k39 n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k39 s GLN 62 N 2.38 1.39 -0.36 0.38 -2.07 -1.26 -4.74 119.66 115.38 2k39 s GLN 62 Ca 0.85 -1.73 -0.34 0.00 -1.82 0.00 0.00 55.36 52.32 2k39 s GLN 62 Cb -0.68 -0.53 -0.14 0.00 -1.09 0.00 0.00 33.01 30.57 2k39 s GLN 62 CO 0.44 -0.17 1.20 0.36 -1.32 0.00 0.00 175.29 175.80 2k39 n LYS 63 N -0.46 0.00 -1.94 9.60 2.85 -1.26 -2.19 118.16 124.76 2k39 n LYS 63 Ca -0.03 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.06 2k39 n LYS 63 Cb 0.65 -1.09 -0.04 0.00 -0.65 0.00 0.00 35.03 33.90 2k39 n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2k39 n GLU 64 N 3.16 -1.27 -2.19 -1.58 4.71 0.16 -4.99 120.64 118.64 2k39 n GLU 64 Ca 0.24 0.94 -0.42 0.00 -0.01 0.00 0.00 57.16 57.91 2k39 n GLU 64 Cb -0.04 -5.28 -0.03 0.00 -1.01 0.00 0.00 31.44 25.08 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2k39 s SER 65 N -2.50 6.80 -0.28 1.62 0.01 -0.93 -4.82 113.70 113.59 2k39 s SER 65 Ca 0.00 2.04 -0.15 0.00 1.31 0.00 0.00 55.95 59.15 2k39 s SER 65 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2k39 s SER 65 CO 0.00 -0.82 0.37 -0.89 0.41 0.00 0.00 173.24 172.31 2k39 s THR 66 N 3.43 5.17 0.01 1.44 2.01 -1.26 -2.71 115.64 123.73 2k39 s THR 66 Ca 0.65 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 63.14 2k39 s THR 66 Cb -0.29 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2k39 s THR 66 CO 0.24 0.12 0.16 -0.76 -0.69 0.00 0.00 174.62 173.69 2k39 s LEU 67 N 2.07 4.24 0.22 4.42 2.01 -0.63 -5.02 118.68 126.00 2k39 s LEU 67 Ca 0.15 0.27 -0.02 0.00 0.01 0.00 0.00 54.13 54.54 2k39 s LEU 67 Cb -0.16 -2.61 -0.05 0.00 0.01 0.00 0.00 46.19 43.39 2k39 s LEU 67 CO 0.10 0.24 0.44 -1.38 1.01 0.00 0.00 176.35 176.76 2k39 s HIS 68 N -1.34 3.48 -0.21 0.29 -3.43 -1.26 -1.12 115.29 111.70 2k39 s HIS 68 Ca 0.28 0.43 0.01 0.00 -0.80 0.00 0.00 55.06 54.99 2k39 s HIS 68 Cb -0.13 -1.93 0.04 0.00 -1.43 0.00 0.00 32.58 29.14 2k39 s HIS 68 CO 0.20 0.32 -0.12 -1.17 -2.00 0.00 0.00 174.74 171.97 2k39 s LEU 69 N -3.36 2.48 0.48 5.38 2.96 -0.75 -4.79 118.68 121.08 2k39 s LEU 69 Ca 0.40 -0.95 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 2k39 s LEU 69 Cb -0.11 -1.33 -0.09 0.00 0.50 0.00 0.00 46.19 45.16 2k39 s LEU 69 CO 0.29 -0.13 0.97 -0.69 -1.32 0.00 0.00 176.35 175.47 2k39 s VAL 70 N 1.32 4.45 0.07 1.68 1.01 -1.26 -3.99 120.40 123.69 2k39 s VAL 70 Ca -0.02 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.37 2k39 s VAL 70 Cb -0.16 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2k39 s VAL 70 CO -0.08 -0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 173.56 2k39 s LEU 71 N -3.68 2.65 -0.23 3.92 1.02 -1.26 -3.07 118.68 118.03 2k39 s LEU 71 Ca 0.60 -0.48 -0.29 0.00 0.02 0.00 0.00 54.13 53.98 2k39 s LEU 71 Cb -0.10 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 2k39 s LEU 71 CO 0.23 0.22 1.48 -0.13 0.02 0.00 0.00 176.35 178.17 2k39 s ARG 72 N -1.74 3.91 -0.04 1.70 0.52 -0.32 -4.88 118.95 118.10 2k39 s ARG 72 Ca 0.16 1.56 -0.04 0.00 -0.52 0.00 0.00 55.73 56.89 2k39 s ARG 72 Cb -0.11 -3.95 0.01 0.00 0.52 0.00 0.00 34.95 31.42 2k39 s ARG 72 CO 0.07 -1.14 0.12 -1.17 0.02 0.00 0.00 175.30 173.20 2k39 s LEU 73 N 4.66 1.54 -0.13 2.53 2.96 -1.26 -4.99 118.68 123.99 2k39 s LEU 73 Ca 0.65 0.20 -0.03 0.00 -0.22 0.00 0.00 54.13 54.73 2k39 s LEU 73 Cb -0.22 0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.87 2k39 s LEU 73 CO 0.26 -0.07 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.07 2k39 s ARG 74 N -0.07 3.44 0.55 1.98 0.52 -1.26 -5.15 118.95 118.96 2k39 s ARG 74 Ca -0.01 -0.46 0.09 0.00 -0.52 0.00 0.00 55.73 54.82 2k39 s ARG 74 Cb -0.02 -2.90 0.06 0.00 0.52 0.00 0.00 34.95 32.62 2k39 s ARG 74 CO 0.00 0.42 0.67 0.20 0.02 0.00 0.00 175.30 176.61 2k39 s GLY 75 N -0.11 1.91 0.00 -3.53 0.00 -1.26 -5.33 107.32 99.00 2k39 s GLY 75 Ca 0.03 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2k39 s GLY 75 CO 0.02 -1.73 0.00 0.61 0.00 0.00 0.00 173.10 172.01