#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 3.73 0.05 3.17 1.11 -1.26 -1.07 119.66 125.40 2k39 s GLN 2 Ca 0.00 0.32 -0.01 0.00 0.01 0.00 0.00 55.36 55.68 2k39 s GLN 2 Cb 0.00 -2.47 -0.04 0.00 -1.01 0.00 0.00 33.01 29.49 2k39 s GLN 2 CO 0.00 0.05 -0.03 0.96 0.01 0.00 0.00 175.29 176.27 2k39 s ILE 3 N -2.28 0.26 -0.25 1.08 -4.36 -0.96 0.27 121.20 114.97 2k39 s ILE 3 Ca 0.49 -1.75 -0.03 0.00 -0.26 0.00 0.00 60.65 59.10 2k39 s ILE 3 Cb -0.10 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.18 2k39 s ILE 3 CO 0.31 -0.95 -0.04 -0.36 0.24 0.00 0.00 174.94 174.14 2k39 s PHE 4 N -3.69 3.04 -0.05 1.37 0.08 -0.63 -1.92 117.98 116.19 2k39 s PHE 4 Ca 0.06 -1.31 -0.16 0.00 0.12 0.00 0.00 56.93 55.64 2k39 s PHE 4 Cb 0.06 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 2k39 s PHE 4 CO -0.09 -0.66 0.43 0.08 -0.10 0.00 0.00 175.22 174.88 2k39 s VAL 5 N 1.39 5.09 -0.25 -0.44 1.01 0.11 -1.11 120.40 126.19 2k39 s VAL 5 Ca 0.02 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.88 2k39 s VAL 5 Cb -0.16 -3.75 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2k39 s VAL 5 CO -0.03 0.48 -0.09 -0.75 0.00 0.00 0.00 175.10 174.71 2k39 s LYS 6 N -0.43 2.52 1.31 2.72 2.47 -0.35 -1.81 119.74 126.17 2k39 s LYS 6 Ca 0.24 -1.17 -0.19 0.00 -1.56 0.00 0.00 55.97 53.29 2k39 s LYS 6 Cb -0.16 -2.93 0.33 0.00 -1.46 0.00 0.00 37.83 33.61 2k39 s LYS 6 CO 0.12 -0.49 0.98 0.95 0.16 0.00 0.00 175.35 177.07 2k39 s THR 7 N 1.21 1.51 0.29 3.43 -4.23 -0.28 -2.08 115.64 115.49 2k39 s THR 7 Ca -0.04 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.55 2k39 s THR 7 Cb -0.18 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.54 2k39 s THR 7 CO -0.05 0.00 1.67 0.25 -0.54 0.00 0.00 174.62 175.95 2k39 h LEU 8 N -3.06 0.17 0.00 4.79 6.46 -1.89 -2.96 115.31 118.81 2k39 h LEU 8 Ca -0.50 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 2k39 h LEU 8 Cb 1.33 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.22 2k39 h LEU 8 CO 0.37 0.63 -0.09 0.71 -0.62 0.00 0.00 178.44 179.44 2k39 h THR 9 N 0.13 0.00 0.00 1.05 1.35 -1.92 -3.48 112.91 110.05 2k39 h THR 9 Ca 0.01 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2k39 h THR 9 Cb 0.91 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 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 1.25 0.75 3.76 5.82 0.00 -1.12 -5.10 105.19 110.55 2k39 n GLY 10 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.50 2.58 -0.04 1.61 2.20 -1.26 -4.79 119.74 119.53 2k39 s LYS 11 Ca 0.00 1.37 0.02 0.00 -0.36 0.00 0.00 55.97 56.99 2k39 s LYS 11 Cb 0.00 -1.92 0.02 0.00 -1.51 0.00 0.00 37.83 34.41 2k39 s LYS 11 CO 0.00 -1.42 -0.07 0.99 -0.36 0.00 0.00 175.35 174.50 2k39 s THR 12 N -2.46 0.68 -0.01 3.43 2.01 -1.26 -1.12 115.64 116.91 2k39 s THR 12 Ca 0.66 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.46 2k39 s THR 12 Cb -0.20 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2k39 s THR 12 CO 0.46 0.25 -0.10 0.27 -0.69 0.00 0.00 174.62 174.80 2k39 s ILE 13 N 0.74 0.83 -0.37 1.82 -4.36 -0.75 -5.02 121.20 114.09 2k39 s ILE 13 Ca -0.11 -0.44 -0.22 0.00 -0.26 0.00 0.00 60.65 59.63 2k39 s ILE 13 Cb -0.14 -0.70 0.01 0.00 1.25 0.00 0.00 42.46 42.88 2k39 s ILE 13 CO 0.01 0.24 0.70 -0.89 0.24 0.00 0.00 174.94 175.23 2k39 s THR 14 N -0.17 4.82 0.22 8.37 2.01 -1.26 -0.71 115.64 128.91 2k39 s THR 14 Ca 0.03 0.67 -0.03 0.00 0.31 0.00 0.00 61.69 62.67 2k39 s THR 14 Cb -0.05 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2k39 s THR 14 CO -0.00 -0.38 0.44 -0.76 -0.69 0.00 0.00 174.62 173.22 2k39 s LEU 15 N 2.88 4.18 -0.10 4.42 1.02 -0.81 -5.00 118.68 125.28 2k39 s LEU 15 Ca 0.27 0.53 0.02 0.00 0.02 0.00 0.00 54.13 54.98 2k39 s LEU 15 Cb -0.14 -3.31 -0.01 0.00 0.02 0.00 0.00 46.19 42.75 2k39 s LEU 15 CO 0.16 -0.07 -0.18 -0.70 0.02 0.00 0.00 176.35 175.58 2k39 s GLU 16 N -3.26 3.05 0.31 1.70 2.12 -1.26 -2.25 118.70 119.09 2k39 s GLU 16 Ca 0.41 -0.77 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 2k39 s GLU 16 Cb -0.11 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.86 2k39 s GLU 16 CO 0.28 0.29 0.51 1.33 -0.54 0.00 0.00 175.26 177.14 2k39 n VAL 17 N 3.25 0.00 -3.92 3.70 0.24 -0.23 -4.99 118.33 116.38 2k39 n VAL 17 Ca -0.18 -1.21 -0.09 0.00 -2.04 0.00 0.00 64.34 60.82 2k39 n VAL 17 Cb 0.53 0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 33.68 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 -2.42 0.65 0.56 7.34 0.41 -1.26 0.14 118.70 124.12 2k39 s GLU 18 Ca 0.20 -0.84 0.33 0.00 -0.41 0.00 0.00 54.97 54.25 2k39 s GLU 18 Cb -0.02 0.26 1.47 0.00 -1.78 0.00 0.00 34.13 34.05 2k39 s GLU 18 CO 0.14 -0.17 1.80 -1.35 -0.49 0.00 0.00 175.26 175.19 2k39 h PRO 19 N 3.39 0.00 0.00 0.39 0.11 -1.95 -1.73 132.00 132.22 2k39 h PRO 19 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2k39 h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k39 h PRO 19 CO 0.53 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.98 2k39 h SER 20 N 0.00 0.00 -1.80 -2.05 4.64 -1.97 -2.00 113.55 110.37 2k39 h SER 20 Ca 0.44 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 61.08 2k39 h SER 20 Cb 1.92 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.04 2k39 h SER 20 CO -0.00 0.00 0.92 0.47 -0.87 0.00 0.00 176.83 177.35 2k39 n ASP 21 N -2.93 2.77 -4.74 4.97 9.92 -0.65 -4.71 116.55 121.19 2k39 n ASP 21 Ca 0.00 1.04 -0.33 0.00 -0.53 0.00 0.00 54.79 54.98 2k39 n ASP 21 Cb 0.26 -1.26 0.09 0.00 -0.64 0.00 0.00 41.12 39.57 2k39 n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2k39 s THR 22 N 3.22 2.78 0.22 -3.53 -4.23 -1.26 -2.04 115.64 110.80 2k39 s THR 22 Ca 0.93 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 61.69 2k39 s THR 22 Cb -0.88 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 70.36 2k39 s THR 22 CO 0.56 -0.26 1.83 0.40 -0.54 0.00 0.00 174.62 176.62 2k39 h ILE 23 N -0.60 1.25 0.00 2.99 1.08 -1.56 -2.84 117.51 117.83 2k39 h ILE 23 Ca -0.46 -0.65 -0.08 0.00 -0.39 0.00 0.00 64.86 63.28 2k39 h ILE 23 Cb 1.26 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2k39 h ILE 23 CO 0.50 0.29 -0.39 -0.33 -0.69 0.00 0.00 178.15 177.53 2k39 h GLU 24 N 1.18 0.00 -0.15 2.37 5.08 -1.94 -2.18 114.58 118.94 2k39 h GLU 24 Ca 0.29 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2k39 h GLU 24 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k39 h GLU 24 CO -0.04 0.39 -0.34 -0.97 -1.00 0.00 0.00 179.01 177.05 2k39 h ASN 25 N 0.00 0.56 0.51 1.42 -0.73 -1.92 -3.04 115.58 112.39 2k39 h ASN 25 Ca -0.00 -0.57 -0.07 0.00 1.87 0.00 0.00 56.30 57.53 2k39 h ASN 25 Cb 0.97 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.39 2k39 h ASN 25 CO 0.05 1.02 -0.31 -0.37 -0.37 0.00 0.00 177.43 177.45 2k39 h VAL 26 N 0.11 0.98 0.00 2.57 -1.51 -1.28 -0.43 116.25 116.70 2k39 h VAL 26 Ca -0.00 -1.17 -0.03 0.00 -1.23 0.00 0.00 66.70 64.27 2k39 h VAL 26 Cb 0.94 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 2k39 h VAL 26 CO 0.07 0.31 -0.14 0.11 -1.23 0.00 0.00 177.57 176.70 2k39 h LYS 27 N 0.00 0.00 -0.01 5.19 1.57 -1.44 0.86 116.57 122.74 2k39 h LYS 27 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2k39 h LYS 27 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.98 2k39 h LYS 27 CO 0.04 0.14 -1.00 0.00 -0.57 0.00 0.00 179.45 178.06 2k39 h ALA 28 N 1.86 0.22 -0.53 3.86 0.00 -0.97 -2.61 119.26 121.11 2k39 h ALA 28 Ca -0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 2k39 h ALA 28 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k39 h ALA 28 CO 0.02 0.73 0.15 0.87 0.00 0.00 0.00 179.25 181.02 2k39 h LYS 29 N 0.34 0.83 0.00 0.00 1.57 -0.98 0.11 116.57 118.43 2k39 h LYS 29 Ca -0.11 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 2k39 h LYS 29 Cb 1.64 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 2k39 h LYS 29 CO 0.19 0.78 -0.46 0.82 -0.57 0.00 0.00 179.45 180.21 2k39 h ILE 30 N 0.73 1.12 -0.06 1.86 2.04 -0.99 0.14 117.51 122.36 2k39 h ILE 30 Ca 0.17 -1.69 -0.12 0.00 1.00 0.00 0.00 64.86 64.21 2k39 h ILE 30 Cb 0.30 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2k39 h ILE 30 CO -0.00 0.45 -0.44 -0.61 0.00 0.00 0.00 178.15 177.55 2k39 h GLN 31 N 0.00 0.39 -1.00 2.37 4.15 -1.16 -2.86 115.11 117.01 2k39 h GLN 31 Ca -0.00 -0.35 0.08 0.00 0.77 0.00 0.00 58.65 59.15 2k39 h GLN 31 Cb 0.93 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 2k39 h GLN 31 CO 0.06 1.00 0.64 0.22 -1.93 0.00 0.00 178.83 178.82 2k39 h ASP 32 N -0.09 1.00 0.16 -0.69 3.58 -0.82 -0.87 116.42 118.68 2k39 h ASP 32 Ca -0.04 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2k39 h ASP 32 Cb 1.11 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.97 2k39 h ASP 32 CO 0.09 0.61 -0.08 0.11 -2.88 0.00 0.00 179.24 177.09 2k39 h LYS 33 N 1.12 -0.20 0.00 0.28 1.79 -0.78 -3.40 116.57 115.38 2k39 h LYS 33 Ca 0.45 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 2k39 h LYS 33 Cb 0.25 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2k39 h LYS 33 CO -0.20 0.22 0.00 0.39 -1.08 0.00 0.00 179.45 178.78 2k39 n GLU 34 N -4.96 0.46 -1.06 3.15 -0.58 -1.08 -5.03 120.64 111.55 2k39 n GLU 34 Ca -0.08 -0.56 -0.02 0.00 -0.42 0.00 0.00 57.16 56.07 2k39 n GLU 34 Cb 0.26 -0.66 -0.01 0.00 -0.57 0.00 0.00 31.44 30.47 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 -0.10 0.48 3.65 0.62 0.00 -0.33 -5.00 105.19 104.52 2k39 n GLY 35 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.80 4.78 0.58 -0.61 1.01 -1.25 -4.95 121.20 118.96 2k39 s ILE 36 Ca 0.00 1.78 -0.20 0.00 0.00 0.00 0.00 60.65 62.23 2k39 s ILE 36 Cb 0.00 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2k39 s ILE 36 CO 0.00 -0.10 1.32 -2.84 0.00 0.00 0.00 174.94 173.32 2k39 s PRO 37 N 2.87 2.98 0.26 2.79 0.02 -1.26 -3.61 135.00 139.05 2k39 s PRO 37 Ca 0.40 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 2k39 s PRO 37 Cb -0.15 -2.11 0.46 0.00 0.02 0.00 0.00 34.50 32.72 2k39 s PRO 37 CO 0.08 -1.29 1.60 -1.35 -0.33 0.00 0.00 177.00 175.71 2k39 h PRO 38 N 1.16 0.03 0.00 5.54 0.11 -1.96 -2.98 132.00 133.89 2k39 h PRO 38 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2k39 h PRO 38 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2k39 h PRO 38 CO 0.56 0.02 0.00 -3.47 -0.21 0.00 0.00 178.00 174.90 2k39 n ASP 39 N -5.49 0.49 -0.95 -2.05 2.03 -1.26 -3.51 116.55 105.80 2k39 n ASP 39 Ca 0.15 0.57 0.08 0.00 0.52 0.00 0.00 54.79 56.11 2k39 n ASP 39 Cb 0.51 -0.69 0.23 0.00 -0.72 0.00 0.00 41.12 40.45 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 -1.98 2.20 -4.36 -0.67 1.13 -1.13 -4.97 117.38 107.61 2k39 n GLN 40 Ca 0.05 -1.85 -0.18 0.00 -1.94 0.00 0.00 57.00 53.08 2k39 n GLN 40 Cb 0.34 -1.40 -0.10 0.00 0.11 0.00 0.00 30.24 29.18 2k39 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2k39 s GLN 41 N -1.32 1.40 -0.07 -1.09 -2.07 -1.23 -1.93 119.66 113.35 2k39 s GLN 41 Ca 0.34 -1.72 -0.03 0.00 -1.82 0.00 0.00 55.36 52.14 2k39 s GLN 41 Cb 0.18 -0.72 0.04 0.00 -1.09 0.00 0.00 33.01 31.42 2k39 s GLN 41 CO 0.23 -0.09 0.16 0.50 -1.32 0.00 0.00 175.29 174.77 2k39 s ARG 42 N -3.85 0.10 0.02 9.60 3.52 0.23 -4.67 118.95 123.90 2k39 s ARG 42 Ca 0.29 0.40 0.04 0.00 -0.13 0.00 0.00 55.73 56.33 2k39 s ARG 42 Cb 0.06 -0.18 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 2k39 s ARG 42 CO 0.10 -0.17 -0.06 -0.51 -0.81 0.00 0.00 175.30 173.84 2k39 s LEU 43 N 1.22 3.18 -0.07 -0.88 1.43 -1.26 -0.62 118.68 121.69 2k39 s LEU 43 Ca -0.09 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2k39 s LEU 43 Cb -0.11 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.28 2k39 s LEU 43 CO -0.06 0.26 0.26 0.27 0.23 0.00 0.00 176.35 177.32 2k39 s ILE 44 N -1.04 0.03 -0.29 -0.59 -4.36 -1.26 -2.37 121.20 111.31 2k39 s ILE 44 Ca 0.18 -0.22 -0.15 0.00 -0.26 0.00 0.00 60.65 60.21 2k39 s ILE 44 Cb -0.11 -0.45 0.13 0.00 1.25 0.00 0.00 42.46 43.28 2k39 s ILE 44 CO 0.09 -0.12 0.85 0.12 0.24 0.00 0.00 174.94 176.13 2k39 s PHE 45 N -0.44 -0.85 -1.33 1.37 5.36 -0.84 -4.60 117.98 116.66 2k39 s PHE 45 Ca -0.05 1.59 -0.05 0.00 -0.96 0.00 0.00 56.93 57.46 2k39 s PHE 45 Cb -0.04 0.51 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 2k39 s PHE 45 CO 0.01 -0.42 0.66 0.00 -1.46 0.00 0.00 175.22 174.01 2k39 n ALA 46 N 4.42 -0.92 0.00 11.12 0.00 -1.26 -3.23 120.51 130.64 2k39 n ALA 46 Ca -0.16 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2k39 n ALA 46 Cb 0.55 -3.83 0.00 0.00 0.00 0.00 0.00 19.45 16.17 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 -1.53 0.84 3.47 0.00 0.00 -1.26 -5.03 105.19 101.69 2k39 n GLY 47 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.87 3.22 -0.15 1.61 1.02 -1.20 -5.11 119.74 118.26 2k39 s LYS 48 Ca 0.00 -0.60 -0.25 0.00 0.02 0.00 0.00 55.97 55.14 2k39 s LYS 48 Cb 0.00 -2.68 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 2k39 s LYS 48 CO 0.00 0.38 0.81 -0.65 -0.92 0.00 0.00 175.35 174.97 2k39 s GLN 49 N -0.05 4.32 -0.34 1.68 -0.21 -1.26 -1.99 119.66 121.81 2k39 s GLN 49 Ca -0.01 0.99 -0.21 0.00 0.02 0.00 0.00 55.36 56.15 2k39 s GLN 49 Cb -0.14 -3.56 -0.00 0.00 1.00 0.00 0.00 33.01 30.32 2k39 s GLN 49 CO 0.03 -0.27 0.66 -0.51 -2.12 0.00 0.00 175.29 173.08 2k39 s LEU 50 N 1.94 4.20 0.12 2.90 1.43 -1.00 -5.01 118.68 123.26 2k39 s LEU 50 Ca 0.38 0.29 -0.20 0.00 -1.03 0.00 0.00 54.13 53.57 2k39 s LEU 50 Cb -0.17 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.14 2k39 s LEU 50 CO 0.13 -0.57 0.63 -1.61 0.23 0.00 0.00 176.35 175.16 2k39 s GLU 51 N 2.73 4.26 0.18 1.70 2.02 -1.26 -4.78 118.70 123.55 2k39 s GLU 51 Ca 0.26 0.81 -0.30 0.00 0.02 0.00 0.00 54.97 55.76 2k39 s GLU 51 Cb -0.14 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 2k39 s GLU 51 CO 0.14 0.57 1.09 -0.51 0.02 0.00 0.00 175.26 176.58 2k39 s ASP 52 N -1.27 7.28 0.00 -0.19 1.11 -1.26 -3.67 116.67 118.67 2k39 s ASP 52 Ca 0.33 2.08 0.00 0.00 0.18 0.00 0.00 52.55 55.14 2k39 s ASP 52 Cb -0.19 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.19 2k39 s ASP 52 CO 0.21 -0.21 0.00 0.61 1.18 0.00 0.00 175.17 176.96 2k39 n GLY 53 N 2.03 1.04 3.77 0.21 0.00 -1.26 -5.03 105.19 105.96 2k39 n GLY 53 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.25 2.79 0.28 1.61 1.81 -1.24 -4.98 118.95 118.97 2k39 s ARG 54 Ca 0.00 -0.92 0.06 0.00 -1.72 0.00 0.00 55.73 53.15 2k39 s ARG 54 Cb 0.00 -2.58 -0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2k39 s ARG 54 CO 0.00 0.48 0.35 0.95 -0.68 0.00 0.00 175.30 176.40 2k39 s THR 55 N -1.75 4.54 0.51 0.02 -4.23 -1.26 -1.41 115.64 112.06 2k39 s THR 55 Ca 0.30 -1.12 0.24 0.00 -1.18 0.00 0.00 61.69 59.93 2k39 s THR 55 Cb -0.10 -3.56 0.29 0.00 1.34 0.00 0.00 72.50 70.48 2k39 s THR 55 CO 0.22 -0.26 2.14 -0.07 -0.54 0.00 0.00 174.62 176.11 2k39 h LEU 56 N 1.16 0.00 -1.10 4.79 3.38 -1.05 -1.53 115.31 120.96 2k39 h LEU 56 Ca -0.49 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2k39 h LEU 56 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2k39 h LEU 56 CO 0.58 0.07 -0.27 -1.28 0.09 0.00 0.00 178.44 177.62 2k39 h SER 57 N 0.00 0.00 0.02 -0.43 0.87 -1.67 -2.19 113.55 110.15 2k39 h SER 57 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k39 h SER 57 Cb 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2k39 h SER 57 CO 0.01 0.27 -0.01 -0.78 -0.53 0.00 0.00 176.83 175.79 2k39 h ASP 58 N 0.00 -0.02 -0.38 6.23 1.82 -1.57 -2.65 116.42 119.85 2k39 h ASP 58 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2k39 h ASP 58 Cb 0.77 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2k39 h ASP 58 CO 0.04 0.11 0.00 -1.22 -1.61 0.00 0.00 179.24 176.55 2k39 n TYR 59 N -5.04 0.72 -3.55 0.28 4.01 -1.21 -4.97 117.16 107.40 2k39 n TYR 59 Ca -0.08 -0.31 -0.26 0.00 -0.16 0.00 0.00 57.90 57.10 2k39 n TYR 59 Cb 0.09 -0.09 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.60 -5.19 -4.67 7.72 4.13 -1.00 -4.94 115.26 111.91 2k39 n ASN 60 Ca 0.14 -0.55 -0.43 0.00 1.68 0.00 0.00 54.58 55.43 2k39 n ASN 60 Cb 0.47 -4.17 -0.02 0.00 -1.54 0.00 0.00 39.78 34.52 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k39 s ILE 61 N -3.20 4.15 0.56 2.41 1.01 -0.83 -5.01 121.20 120.29 2k39 s ILE 61 Ca 0.52 1.43 -0.04 0.00 0.00 0.00 0.00 60.65 62.55 2k39 s ILE 61 Cb -0.25 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.31 2k39 s ILE 61 CO 0.64 -0.09 0.84 -1.10 0.00 0.00 0.00 174.94 175.23 2k39 s GLN 62 N 3.24 2.93 0.93 2.79 -0.21 -1.26 -4.77 119.66 123.32 2k39 s GLN 62 Ca 0.58 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.70 2k39 s GLN 62 Cb -0.24 -2.34 0.15 0.00 1.00 0.00 0.00 33.01 31.57 2k39 s GLN 62 CO 0.18 -0.61 1.09 -1.59 -2.12 0.00 0.00 175.29 172.25 2k39 s LYS 63 N -4.89 0.95 -0.03 2.91 0.00 -1.26 -3.94 119.74 113.48 2k39 s LYS 63 Ca 0.53 1.06 0.00 0.00 0.00 0.00 0.00 55.97 57.55 2k39 s LYS 63 Cb -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 35.97 2k39 s LYS 63 CO 0.43 -2.52 0.00 -0.85 0.00 0.00 0.00 175.35 172.41 2k39 n GLU 64 N -4.10 -1.96 -2.14 1.78 0.28 0.14 -4.95 120.64 109.70 2k39 n GLU 64 Ca 0.08 0.17 -0.33 0.00 -0.16 0.00 0.00 57.16 56.92 2k39 n GLU 64 Cb 0.54 -3.37 -0.00 0.00 1.43 0.00 0.00 31.44 30.04 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2k39 s SER 65 N -0.69 5.98 -0.42 -1.84 0.01 -1.25 -4.71 113.70 110.77 2k39 s SER 65 Ca 0.00 1.77 -0.18 0.00 1.31 0.00 0.00 55.95 58.85 2k39 s SER 65 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2k39 s SER 65 CO 0.00 -1.03 0.48 -0.89 0.41 0.00 0.00 173.24 172.21 2k39 s THR 66 N -2.48 5.03 -0.22 1.44 2.01 -1.26 -1.60 115.64 118.56 2k39 s THR 66 Ca 0.63 -0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 2k39 s THR 66 Cb -0.15 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 2k39 s THR 66 CO 0.35 -0.46 0.23 -0.22 -0.69 0.00 0.00 174.62 173.84 2k39 s LEU 67 N 2.28 4.14 0.37 4.42 0.20 -0.27 -4.99 118.68 124.82 2k39 s LEU 67 Ca 0.14 0.25 -0.20 0.00 0.69 0.00 0.00 54.13 55.02 2k39 s LEU 67 Cb -0.16 -2.24 -0.10 0.00 -0.43 0.00 0.00 46.19 43.26 2k39 s LEU 67 CO 0.15 0.03 0.87 -1.00 -0.29 0.00 0.00 176.35 176.11 2k39 s HIS 68 N 1.07 3.41 0.25 5.38 3.76 -1.26 -1.22 115.29 126.69 2k39 s HIS 68 Ca 0.11 1.50 0.03 0.00 -0.15 0.00 0.00 55.06 56.55 2k39 s HIS 68 Cb -0.14 -2.75 -0.05 0.00 1.11 0.00 0.00 32.58 30.75 2k39 s HIS 68 CO 0.05 0.03 0.03 -0.48 -0.85 0.00 0.00 174.74 173.52 2k39 s LEU 69 N -2.87 2.05 -0.01 0.89 0.05 -0.88 -4.25 118.68 113.67 2k39 s LEU 69 Ca 0.57 -1.29 0.07 0.00 0.05 0.00 0.00 54.13 53.52 2k39 s LEU 69 Cb -0.11 -0.21 -0.02 0.00 -2.05 0.00 0.00 46.19 43.80 2k39 s LEU 69 CO 0.16 -0.59 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.48 2k39 s VAL 70 N -3.49 1.66 -0.22 1.48 1.01 0.21 -3.63 120.40 117.42 2k39 s VAL 70 Ca 0.32 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 2k39 s VAL 70 Cb 0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2k39 s VAL 70 CO 0.11 0.43 0.75 -0.22 0.00 0.00 0.00 175.10 176.17 2k39 s LEU 71 N -0.59 4.10 0.49 3.92 2.96 -1.26 0.74 118.68 129.05 2k39 s LEU 71 Ca 0.08 0.95 0.29 0.00 -0.22 0.00 0.00 54.13 55.23 2k39 s LEU 71 Cb -0.08 -3.07 1.06 0.00 0.50 0.00 0.00 46.19 44.60 2k39 s LEU 71 CO -0.00 -0.42 1.87 -0.09 -1.32 0.00 0.00 176.35 176.39 2k39 h ARG 72 N 7.64 0.00 -3.67 1.98 2.43 -1.66 -3.42 114.38 117.68 2k39 h ARG 72 Ca -0.26 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.73 2k39 h ARG 72 Cb 1.11 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.43 2k39 h ARG 72 CO 0.83 0.09 -0.61 -0.48 -1.51 0.00 0.00 179.97 178.28 2k39 s LEU 73 N -6.39 1.83 -0.18 3.80 -0.00 -1.26 -4.99 118.68 111.48 2k39 s LEU 73 Ca 0.02 -0.15 -0.04 0.00 -0.00 0.00 0.00 54.13 53.96 2k39 s LEU 73 Cb 0.09 0.33 0.08 0.00 -0.00 0.00 0.00 46.19 46.69 2k39 s LEU 73 CO 0.59 -0.21 0.20 -0.60 -0.00 0.00 0.00 176.35 176.34 2k39 s ARG 74 N -0.82 0.15 0.00 1.48 3.52 -1.26 -5.03 118.95 116.99 2k39 s ARG 74 Ca -0.09 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 2k39 s ARG 74 Cb -0.05 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.21 2k39 s ARG 74 CO 0.00 -0.60 0.00 0.41 -0.81 0.00 0.00 175.30 174.30 2k39 n GLY 75 N 5.32 3.58 0.00 8.12 0.00 -1.26 -5.23 105.19 115.71 2k39 n GLY 75 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93