#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 3.03 0.06 2.12 -0.44 -1.26 -0.88 119.66 122.29 2k39 s GLN 2 Ca 0.00 -0.39 -0.01 0.00 -2.50 0.00 0.00 55.36 52.46 2k39 s GLN 2 Cb 0.00 -2.84 -0.04 0.00 -1.64 0.00 0.00 33.01 28.49 2k39 s GLN 2 CO 0.00 0.70 -0.02 0.96 0.50 0.00 0.00 175.29 177.43 2k39 s ILE 3 N -0.94 0.24 0.25 -2.34 -4.36 -0.71 -1.01 121.20 112.33 2k39 s ILE 3 Ca 0.15 -1.83 0.08 0.00 -0.26 0.00 0.00 60.65 58.78 2k39 s ILE 3 Cb -0.11 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 2k39 s ILE 3 CO 0.04 -0.92 0.10 -0.36 0.24 0.00 0.00 174.94 174.04 2k39 s PHE 4 N -3.91 2.93 0.07 1.37 0.08 0.10 0.20 117.98 118.82 2k39 s PHE 4 Ca 0.09 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 57.04 2k39 s PHE 4 Cb 0.08 -1.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 2k39 s PHE 4 CO -0.08 0.56 -0.13 0.14 -0.10 0.00 0.00 175.22 175.61 2k39 s VAL 5 N -2.17 0.99 0.29 -0.44 -7.23 0.10 -3.00 120.40 108.95 2k39 s VAL 5 Ca 0.32 -1.31 -0.14 0.00 -1.81 0.00 0.00 61.98 59.04 2k39 s VAL 5 Cb -0.07 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.76 2k39 s VAL 5 CO 0.22 -0.30 0.68 -0.54 -0.31 0.00 0.00 175.10 174.86 2k39 s LYS 6 N -1.84 3.95 0.04 4.82 1.02 -1.17 -1.69 119.74 124.87 2k39 s LYS 6 Ca -0.02 0.56 0.01 0.00 0.02 0.00 0.00 55.97 56.54 2k39 s LYS 6 Cb -0.09 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 2k39 s LYS 6 CO 0.02 0.21 -0.05 -0.08 -0.92 0.00 0.00 175.35 174.53 2k39 s THR 7 N -1.92 0.32 -2.00 2.17 -1.32 -0.96 -4.27 115.64 107.66 2k39 s THR 7 Ca 0.52 -1.15 0.17 0.00 -1.21 0.00 0.00 61.69 60.01 2k39 s THR 7 Cb -0.11 -0.64 0.47 0.00 -1.51 0.00 0.00 72.50 70.72 2k39 s THR 7 CO 0.19 -0.54 1.40 -0.11 -2.21 0.00 0.00 174.62 173.34 2k39 n LEU 8 N 1.25 0.00 0.16 9.08 7.94 -1.26 -0.43 117.00 133.73 2k39 n LEU 8 Ca -0.21 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.80 2k39 n LEU 8 Cb 0.56 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.59 2k39 n LEU 8 CO 0.22 0.00 0.38 0.71 -1.11 0.00 0.00 177.39 177.59 2k39 h THR 9 N 0.00 0.01 0.00 1.96 1.35 -2.00 -3.48 112.91 110.76 2k39 h THR 9 Ca 0.00 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2k39 h THR 9 Cb 0.00 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2k39 h THR 9 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2k39 n GLY 10 N 1.15 0.90 3.73 5.82 0.00 0.43 -5.11 105.19 112.09 2k39 n GLY 10 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.37 1.94 -0.27 1.61 2.20 -1.22 -4.81 119.74 118.81 2k39 s LYS 11 Ca 0.00 1.49 0.02 0.00 -0.36 0.00 0.00 55.97 57.12 2k39 s LYS 11 Cb 0.00 -1.84 0.07 0.00 -1.51 0.00 0.00 37.83 34.56 2k39 s LYS 11 CO 0.00 -1.93 -0.04 0.95 -0.36 0.00 0.00 175.35 173.97 2k39 s THR 12 N -2.47 1.82 -0.13 3.43 -4.23 -1.26 -2.27 115.64 110.54 2k39 s THR 12 Ca 0.68 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2k39 s THR 12 Cb -0.23 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 2k39 s THR 12 CO 0.51 -0.23 0.04 -0.63 -0.54 0.00 0.00 174.62 173.77 2k39 s ILE 13 N 1.23 4.62 -0.23 2.99 1.01 -0.68 -4.98 121.20 125.15 2k39 s ILE 13 Ca -0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 2k39 s ILE 13 Cb -0.19 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.25 2k39 s ILE 13 CO -0.08 0.56 0.02 0.28 0.00 0.00 0.00 174.94 175.72 2k39 s THR 14 N -0.44 3.98 0.20 2.92 -1.32 -1.26 -0.72 115.64 118.99 2k39 s THR 14 Ca 0.09 -0.29 0.08 0.00 -1.21 0.00 0.00 61.69 60.36 2k39 s THR 14 Cb -0.12 -2.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.00 2k39 s THR 14 CO 0.02 0.39 0.01 -0.76 -2.21 0.00 0.00 174.62 172.07 2k39 s LEU 15 N 1.40 3.32 -0.21 9.08 1.43 0.13 -4.99 118.68 128.84 2k39 s LEU 15 Ca 0.05 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2k39 s LEU 15 Cb -0.15 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.16 2k39 s LEU 15 CO 0.01 0.06 -0.14 -0.70 0.23 0.00 0.00 176.35 175.81 2k39 s GLU 16 N -3.14 2.81 0.18 1.70 2.56 -1.26 -1.74 118.70 119.81 2k39 s GLU 16 Ca 0.29 -0.97 0.01 0.00 0.00 0.00 0.00 54.97 54.29 2k39 s GLU 16 Cb -0.09 -2.75 -0.04 0.00 2.00 0.00 0.00 34.13 33.25 2k39 s GLU 16 CO 0.19 -0.33 0.05 0.14 -0.56 0.00 0.00 175.26 174.76 2k39 s VAL 17 N 1.26 0.41 0.21 3.70 -7.23 -0.06 -4.93 120.40 113.77 2k39 s VAL 17 Ca 0.01 -1.97 0.08 0.00 -1.81 0.00 0.00 61.98 58.30 2k39 s VAL 17 Cb -0.15 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 2k39 s VAL 17 CO -0.09 -0.31 -0.16 -1.61 -0.31 0.00 0.00 175.10 172.62 2k39 s GLU 18 N -4.01 1.38 0.24 4.82 2.02 -1.26 -0.32 118.70 121.57 2k39 s GLU 18 Ca 0.29 -1.60 -0.06 0.00 0.02 0.00 0.00 54.97 53.62 2k39 s GLU 18 Cb 0.07 -1.24 0.44 0.00 0.10 0.00 0.00 34.13 33.50 2k39 s GLU 18 CO 0.06 0.21 1.68 -1.35 0.02 0.00 0.00 175.26 175.89 2k39 h PRO 19 N 2.57 0.25 0.00 0.39 0.11 -1.95 -1.41 132.00 131.95 2k39 h PRO 19 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2k39 h PRO 19 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k39 h PRO 19 CO 0.61 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.43 2k39 n SER 20 N -5.17 0.00 -4.74 -2.05 3.41 -1.26 -0.46 113.62 103.36 2k39 n SER 20 Ca 0.13 -0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 57.76 2k39 n SER 20 Cb 0.44 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 2k39 n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k39 s ASP 21 N -1.92 7.08 0.34 4.04 -1.08 -0.53 -4.79 116.67 119.82 2k39 s ASP 21 Ca 0.19 2.22 -0.19 0.00 -0.52 0.00 0.00 52.55 54.26 2k39 s ASP 21 Cb 0.09 -2.60 -0.10 0.00 -1.46 0.00 0.00 42.92 38.85 2k39 s ASP 21 CO 0.15 -0.39 0.82 0.42 0.52 0.00 0.00 175.17 176.70 2k39 s THR 22 N 0.04 4.53 0.37 1.71 -4.23 -1.26 -1.49 115.64 115.31 2k39 s THR 22 Ca 0.53 1.25 0.15 0.00 -1.18 0.00 0.00 61.69 62.44 2k39 s THR 22 Cb -0.33 -3.68 0.36 0.00 1.34 0.00 0.00 72.50 70.20 2k39 s THR 22 CO 0.36 -0.15 1.78 0.40 -0.54 0.00 0.00 174.62 176.48 2k39 h ILE 23 N 2.11 0.60 -0.97 2.99 1.08 -1.38 0.25 117.51 122.19 2k39 h ILE 23 Ca -0.48 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 63.87 2k39 h ILE 23 Cb 1.18 0.05 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 2k39 h ILE 23 CO 0.64 0.09 0.63 1.05 -0.69 0.00 0.00 178.15 179.87 2k39 h GLU 24 N 0.50 1.15 -0.29 2.37 4.11 -1.52 0.29 114.58 121.18 2k39 h GLU 24 Ca 0.57 -0.07 -0.13 0.00 0.07 0.00 0.00 59.36 59.81 2k39 h GLU 24 Cb 1.28 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2k39 h GLU 24 CO -0.31 0.76 -0.33 -0.97 0.07 0.00 0.00 179.01 178.22 2k39 h ASN 25 N 1.18 0.66 0.62 3.06 -1.24 -0.84 -0.72 115.58 118.30 2k39 h ASN 25 Ca 0.40 -0.27 -0.03 0.00 0.71 0.00 0.00 56.30 57.10 2k39 h ASN 25 Cb 0.07 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 38.95 2k39 h ASN 25 CO -0.14 0.95 -0.30 0.58 -1.29 0.00 0.00 177.43 177.23 2k39 h VAL 26 N 0.54 0.32 -0.93 2.57 2.07 -0.14 -3.07 116.25 117.61 2k39 h VAL 26 Ca 0.06 -0.21 0.38 0.00 0.82 0.00 0.00 66.70 67.75 2k39 h VAL 26 Cb 0.84 0.38 -0.17 0.00 -1.52 0.00 0.00 31.29 30.82 2k39 h VAL 26 CO 0.07 0.03 0.45 0.29 0.02 0.00 0.00 177.57 178.43 2k39 n LYS 27 N -5.40 -0.06 0.17 1.57 5.02 0.88 -0.97 118.16 119.38 2k39 n LYS 27 Ca -0.12 1.29 0.11 0.00 -2.02 0.00 0.00 58.31 57.56 2k39 n LYS 27 Cb 0.36 -2.29 0.10 0.00 -0.02 0.00 0.00 35.03 33.17 2k39 n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k39 h ALA 28 N 1.85 0.80 0.00 7.82 0.00 -1.14 -1.45 119.26 127.16 2k39 h ALA 28 Ca 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2k39 h ALA 28 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2k39 h ALA 28 CO -0.73 0.09 -0.54 1.63 0.00 0.00 0.00 179.25 179.70 2k39 n LYS 29 N -2.97 0.25 -0.01 0.00 5.02 -0.15 -0.63 118.16 119.67 2k39 n LYS 29 Ca 0.02 0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 2k39 n LYS 29 Cb 0.57 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 2k39 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k39 h ILE 30 N 0.00 1.29 0.00 -0.18 2.04 -1.25 -3.36 117.51 116.05 2k39 h ILE 30 Ca 0.00 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2k39 h ILE 30 Cb 0.71 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2k39 h ILE 30 CO 0.00 0.36 -0.15 -0.61 0.00 0.00 0.00 178.15 177.75 2k39 h GLN 31 N -0.78 0.00 -0.65 2.37 4.15 -0.81 -0.04 115.11 119.35 2k39 h GLN 31 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.54 2k39 h GLN 31 Cb 0.64 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.24 2k39 h GLN 31 CO 0.01 0.15 0.17 0.22 -1.93 0.00 0.00 178.83 177.46 2k39 h ASP 32 N 0.00 0.07 0.00 -0.69 3.58 -1.02 -2.72 116.42 115.63 2k39 h ASP 32 Ca -0.00 0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.45 2k39 h ASP 32 Cb 0.39 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2k39 h ASP 32 CO 0.02 0.03 -1.41 0.29 -2.88 0.00 0.00 179.24 175.28 2k39 n LYS 33 N -5.10 2.42 -0.03 0.28 4.76 -0.77 -4.73 118.16 114.98 2k39 n LYS 33 Ca 0.11 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 2k39 n LYS 33 Cb 0.36 -1.15 -0.14 0.00 -1.84 0.00 0.00 35.03 32.26 2k39 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k39 n GLU 34 N -2.33 0.67 -0.54 1.97 -0.58 -0.10 -5.01 120.64 114.73 2k39 n GLU 34 Ca -0.10 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2k39 n GLU 34 Cb 0.68 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.74 0.72 3.82 0.62 0.00 -1.03 -5.00 105.19 106.06 2k39 n GLY 35 Ca -0.24 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 4.96 0.61 -0.61 1.01 -1.26 -4.97 121.20 118.94 2k39 s ILE 36 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 60.65 61.49 2k39 s ILE 36 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 2k39 s ILE 36 CO 0.00 0.56 1.00 -2.16 0.00 0.00 0.00 174.94 174.34 2k39 s PRO 37 N -0.97 3.53 0.25 2.79 0.04 -1.26 -4.35 135.00 135.03 2k39 s PRO 37 Ca 0.25 0.66 -0.05 0.00 0.04 0.00 0.00 61.00 61.90 2k39 s PRO 37 Cb -0.17 -2.11 0.33 0.00 0.04 0.00 0.00 34.50 32.59 2k39 s PRO 37 CO 0.15 -0.56 1.88 -1.00 0.04 0.00 0.00 177.00 177.50 2k39 h PRO 38 N -0.28 1.08 0.00 0.56 0.13 -1.96 -2.98 132.00 128.55 2k39 h PRO 38 Ca -0.44 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k39 h PRO 38 Cb 1.20 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2k39 h PRO 38 CO 0.62 0.72 0.00 -0.40 -0.23 0.00 0.00 178.00 178.71 2k39 n ASP 39 N -4.53 0.15 0.05 1.44 5.75 -1.26 -2.47 116.55 115.67 2k39 n ASP 39 Ca 0.13 0.54 0.11 0.00 -0.01 0.00 0.00 54.79 55.56 2k39 n ASP 39 Cb 0.14 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.64 2k39 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k39 n GLN 40 N -1.67 0.46 -3.30 0.11 6.02 -1.13 -4.78 117.38 113.10 2k39 n GLN 40 Ca 0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.66 2k39 n GLN 40 Cb 0.18 -1.66 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 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 -3.31 4.09 -0.32 -1.09 -1.52 -1.03 -0.72 119.66 115.76 2k39 s GLN 41 Ca 0.00 0.62 -0.01 0.00 -1.95 0.00 0.00 55.36 54.03 2k39 s GLN 41 Cb 0.13 -3.03 0.13 0.00 -0.22 0.00 0.00 33.01 30.02 2k39 s GLN 41 CO 0.82 0.53 0.25 0.50 -0.25 0.00 0.00 175.29 177.14 2k39 s ARG 42 N -1.66 0.39 -0.18 2.91 3.00 -1.10 -4.71 118.95 117.61 2k39 s ARG 42 Ca 0.35 -0.59 -0.09 0.00 -1.00 0.00 0.00 55.73 54.40 2k39 s ARG 42 Cb -0.17 -0.91 -0.05 0.00 0.00 0.00 0.00 34.95 33.83 2k39 s ARG 42 CO 0.19 -1.09 0.12 -0.51 0.00 0.00 0.00 175.30 174.01 2k39 s LEU 43 N 1.88 4.16 0.02 -0.88 1.43 -1.26 -1.58 118.68 122.44 2k39 s LEU 43 Ca 0.12 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2k39 s LEU 43 Cb -0.16 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 2k39 s LEU 43 CO -0.22 0.21 -0.06 -0.63 0.23 0.00 0.00 176.35 175.88 2k39 s ILE 44 N 0.14 0.43 0.00 -0.59 1.01 0.06 -2.32 121.20 119.93 2k39 s ILE 44 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2k39 s ILE 44 Cb -0.11 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2k39 s ILE 44 CO -0.01 -0.16 0.00 0.33 0.00 0.00 0.00 174.94 175.10 2k39 n PHE 45 N 2.19 0.00 0.00 3.97 7.35 0.91 0.34 117.46 132.22 2k39 n PHE 45 Ca -0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2k39 n PHE 45 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 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 -3.00 0.55 0.00 3.13 0.00 -1.26 -2.46 120.51 117.47 2k39 n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k39 n ALA 46 Cb 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 2.22 1.55 3.45 0.00 0.00 -1.26 -5.09 105.19 106.06 2k39 n GLY 47 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 3.60 -0.06 1.61 1.02 -1.03 -5.11 119.74 119.53 2k39 s LYS 48 Ca 0.00 -0.54 -0.25 0.00 0.02 0.00 0.00 55.97 55.20 2k39 s LYS 48 Cb 0.00 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2k39 s LYS 48 CO 0.00 0.09 0.76 -0.65 -0.92 0.00 0.00 175.35 174.63 2k39 s GLN 49 N 0.78 4.45 -0.18 1.68 -0.21 -1.26 -0.06 119.66 124.85 2k39 s GLN 49 Ca -0.01 0.99 -0.05 0.00 0.02 0.00 0.00 55.36 56.31 2k39 s GLN 49 Cb -0.14 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 2k39 s GLN 49 CO 0.02 0.01 0.01 -0.51 -2.12 0.00 0.00 175.29 172.70 2k39 s LEU 50 N 0.94 3.42 -0.12 2.90 1.43 -0.98 -4.99 118.68 121.28 2k39 s LEU 50 Ca 0.40 -0.10 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2k39 s LEU 50 Cb -0.18 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2k39 s LEU 50 CO 0.20 0.13 0.05 -0.70 0.23 0.00 0.00 176.35 176.26 2k39 s GLU 51 N 0.63 3.40 0.13 1.70 2.56 -1.26 -4.58 118.70 121.27 2k39 s GLU 51 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 54.97 54.67 2k39 s GLU 51 Cb -0.14 -3.02 0.33 0.00 2.00 0.00 0.00 34.13 33.30 2k39 s GLU 51 CO 0.02 0.60 0.62 -0.25 -0.56 0.00 0.00 175.26 175.69 2k39 n ASP 52 N 2.51 -0.03 -1.22 -1.70 9.92 -1.26 -3.14 116.55 121.63 2k39 n ASP 52 Ca -0.18 0.67 -0.07 0.00 -0.53 0.00 0.00 54.79 54.68 2k39 n ASP 52 Cb 0.54 -0.25 0.14 0.00 -0.64 0.00 0.00 41.12 40.90 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k39 n GLY 53 N -1.19 5.61 3.47 0.44 0.00 -1.26 -1.37 105.19 110.90 2k39 n GLY 53 Ca 0.10 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.06 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 -3.39 1.66 0.49 1.61 1.81 -1.19 -5.02 118.95 114.93 2k39 s ARG 54 Ca 0.44 -1.81 -0.08 0.00 -1.72 0.00 0.00 55.73 52.55 2k39 s ARG 54 Cb 0.39 -1.53 -0.05 0.00 -0.45 0.00 0.00 34.95 33.31 2k39 s ARG 54 CO -0.02 0.18 0.84 0.95 -0.68 0.00 0.00 175.30 176.57 2k39 s THR 55 N -2.71 4.82 0.55 0.02 -4.23 -1.26 -1.93 115.64 110.89 2k39 s THR 55 Ca 0.30 0.50 0.23 0.00 -1.18 0.00 0.00 61.69 61.54 2k39 s THR 55 Cb 0.00 -3.82 0.34 0.00 1.34 0.00 0.00 72.50 70.36 2k39 s THR 55 CO 0.14 -0.81 2.11 -0.07 -0.54 0.00 0.00 174.62 175.45 2k39 h LEU 56 N 0.44 0.00 -0.97 4.79 3.38 -0.99 -2.47 115.31 119.49 2k39 h LEU 56 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2k39 h LEU 56 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2k39 h LEU 56 CO 0.62 0.00 0.52 -1.28 0.09 0.00 0.00 178.44 178.40 2k39 h SER 57 N 0.00 1.10 0.52 -0.43 0.87 -1.05 -0.92 113.55 113.64 2k39 h SER 57 Ca 0.09 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2k39 h SER 57 Cb 0.39 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2k39 h SER 57 CO -0.00 0.86 0.00 0.47 -0.53 0.00 0.00 176.83 177.63 2k39 n ASP 58 N -4.35 0.16 -0.58 6.23 8.00 -0.93 -0.84 116.55 124.24 2k39 n ASP 58 Ca 0.10 0.54 0.06 0.00 0.71 0.00 0.00 54.79 56.20 2k39 n ASP 58 Cb 0.08 -0.57 0.11 0.00 -0.02 0.00 0.00 41.12 40.72 2k39 n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2k39 n TYR 59 N -1.68 0.28 -3.98 1.24 4.01 -0.74 -5.00 117.16 111.30 2k39 n TYR 59 Ca 0.03 -0.30 -0.33 0.00 -0.16 0.00 0.00 57.90 57.14 2k39 n TYR 59 Cb 0.17 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.59 -2.37 -4.72 7.72 6.94 -0.02 -4.95 115.26 118.44 2k39 n ASN 60 Ca 0.10 -0.97 -0.42 0.00 -0.02 0.00 0.00 54.58 53.27 2k39 n ASN 60 Cb 0.37 -1.17 -0.03 0.00 -2.36 0.00 0.00 39.78 36.60 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2k39 s ILE 61 N -3.93 3.04 0.11 1.53 -1.09 -0.92 -4.99 121.20 114.94 2k39 s ILE 61 Ca 0.31 0.78 0.03 0.00 -2.23 0.00 0.00 60.65 59.53 2k39 s ILE 61 Cb -0.17 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 2k39 s ILE 61 CO 0.73 0.08 0.18 -1.10 -1.23 0.00 0.00 174.94 173.60 2k39 s GLN 62 N 0.65 3.18 0.59 2.79 -0.21 -1.26 -4.90 119.66 120.51 2k39 s GLN 62 Ca 0.63 -0.64 -0.18 0.00 0.02 0.00 0.00 55.36 55.20 2k39 s GLN 62 Cb -0.39 -2.86 -0.08 0.00 1.00 0.00 0.00 33.01 30.68 2k39 s GLN 62 CO 0.34 0.55 0.49 0.36 -2.12 0.00 0.00 175.29 174.91 2k39 n LYS 63 N -0.04 0.46 -0.97 2.91 2.85 -1.26 -3.73 118.16 118.37 2k39 n LYS 63 Ca -0.07 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2k39 n LYS 63 Cb 0.53 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 2k39 n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2k39 n GLU 64 N -0.07 -0.78 -1.93 -1.58 2.13 -0.18 -5.00 120.64 113.23 2k39 n GLU 64 Ca 0.11 0.20 -0.41 0.00 0.66 0.00 0.00 57.16 57.72 2k39 n GLU 64 Cb 0.48 -3.84 -0.01 0.00 0.27 0.00 0.00 31.44 28.33 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k39 s SER 65 N -2.08 6.53 -0.11 4.31 0.01 -1.24 -4.60 113.70 116.52 2k39 s SER 65 Ca 0.00 2.87 -0.05 0.00 1.31 0.00 0.00 55.95 60.08 2k39 s SER 65 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2k39 s SER 65 CO 0.00 -0.74 0.06 -0.89 0.41 0.00 0.00 173.24 172.08 2k39 s THR 66 N -0.83 4.84 0.10 1.44 2.01 -1.26 -0.72 115.64 121.22 2k39 s THR 66 Ca 0.54 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.44 2k39 s THR 66 Cb -0.44 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 2k39 s THR 66 CO 0.55 0.59 0.36 -0.76 -0.69 0.00 0.00 174.62 174.67 2k39 s LEU 67 N -0.80 4.30 -0.16 4.42 1.43 -1.16 -4.94 118.68 121.78 2k39 s LEU 67 Ca 0.13 0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 53.62 2k39 s LEU 67 Cb -0.12 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 2k39 s LEU 67 CO 0.03 0.12 0.64 -2.28 0.23 0.00 0.00 176.35 175.08 2k39 s HIS 68 N -1.54 3.44 -0.07 0.29 5.65 0.15 -3.04 115.29 120.18 2k39 s HIS 68 Ca 0.37 1.01 0.05 0.00 0.25 0.00 0.00 55.06 56.74 2k39 s HIS 68 Cb -0.13 -2.78 -0.01 0.00 -1.18 0.00 0.00 32.58 28.49 2k39 s HIS 68 CO 0.22 -0.08 -0.23 -1.17 -0.65 0.00 0.00 174.74 172.83 2k39 s LEU 69 N 1.52 2.04 0.00 8.88 0.20 -1.26 -0.76 118.68 129.30 2k39 s LEU 69 Ca 0.31 -0.50 0.02 0.00 0.69 0.00 0.00 54.13 54.65 2k39 s LEU 69 Cb -0.16 -1.32 -0.01 0.00 -0.43 0.00 0.00 46.19 44.27 2k39 s LEU 69 CO 0.12 0.20 0.07 1.33 -0.29 0.00 0.00 176.35 177.78 2k39 n VAL 70 N 3.19 0.00 -3.07 1.68 0.24 -0.62 -4.69 118.33 115.06 2k39 n VAL 70 Ca -0.18 -0.98 -0.36 0.00 -2.04 0.00 0.00 64.34 60.77 2k39 n VAL 70 Cb 0.52 0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 2k39 n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2k39 s LEU 71 N 0.00 4.36 -0.31 1.34 2.96 -1.26 -2.69 118.68 123.07 2k39 s LEU 71 Ca 0.10 1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 55.19 2k39 s LEU 71 Cb 0.00 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2k39 s LEU 71 CO 0.07 0.03 1.17 -0.60 -1.32 0.00 0.00 176.35 175.71 2k39 s ARG 72 N -1.93 4.01 -0.77 1.98 3.52 0.11 -4.79 118.95 121.07 2k39 s ARG 72 Ca 0.43 1.15 -0.07 0.00 -0.13 0.00 0.00 55.73 57.12 2k39 s ARG 72 Cb -0.17 -3.80 0.20 0.00 -1.56 0.00 0.00 34.95 29.62 2k39 s ARG 72 CO 0.21 -0.99 0.64 -0.51 -0.81 0.00 0.00 175.30 173.85 2k39 s LEU 73 N 3.94 5.87 0.00 -0.88 1.43 -1.26 -4.88 118.68 122.89 2k39 s LEU 73 Ca 0.50 -2.98 0.00 0.00 -1.03 0.00 0.00 54.13 50.62 2k39 s LEU 73 Cb -0.14 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.07 2k39 s LEU 73 CO 0.19 -0.40 0.00 -1.14 0.23 0.00 0.00 176.35 175.23 2k39 n ARG 74 N 3.42 0.00 -4.24 1.70 0.63 -1.26 -4.87 116.66 112.04 2k39 n ARG 74 Ca 0.13 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.89 2k39 n ARG 74 Cb 0.41 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.21 2k39 n ARG 74 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2k39 s GLY 75 N 0.00 1.05 0.00 5.14 0.00 -1.26 -5.19 107.32 107.06 2k39 s GLY 75 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.42 2k39 s GLY 75 CO 0.00 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.34