#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 4.55 0.27 2.12 1.11 -1.26 -0.32 119.66 126.13 2k39 s GLN 2 Ca 0.00 1.69 -0.06 0.00 0.01 0.00 0.00 55.36 57.00 2k39 s GLN 2 Cb 0.00 -3.32 -0.01 0.00 -1.01 0.00 0.00 33.01 28.67 2k39 s GLN 2 CO 0.00 -0.02 0.39 0.96 0.01 0.00 0.00 175.29 176.63 2k39 s ILE 3 N 0.23 0.00 0.09 1.08 -4.36 -0.68 -0.32 121.20 117.24 2k39 s ILE 3 Ca 0.52 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 59.35 2k39 s ILE 3 Cb -0.28 -2.44 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 2k39 s ILE 3 CO 0.32 0.00 -0.17 -0.36 0.24 0.00 0.00 174.94 174.98 2k39 s PHE 4 N -3.70 2.58 -0.14 1.37 0.40 0.77 -0.85 117.98 118.41 2k39 s PHE 4 Ca 0.30 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2k39 s PHE 4 Cb 0.01 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.16 2k39 s PHE 4 CO 0.14 0.36 -0.20 0.08 0.70 0.00 0.00 175.22 176.30 2k39 s VAL 5 N -1.09 2.22 -0.08 -0.44 1.01 -0.79 -2.51 120.40 118.71 2k39 s VAL 5 Ca 0.17 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2k39 s VAL 5 Cb -0.11 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2k39 s VAL 5 CO 0.09 0.54 -0.01 -0.75 0.00 0.00 0.00 175.10 174.97 2k39 s LYS 6 N 0.82 2.94 0.03 2.72 2.20 -0.70 -1.18 119.74 126.56 2k39 s LYS 6 Ca -0.07 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 2k39 s LYS 6 Cb -0.15 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 2k39 s LYS 6 CO -0.02 0.70 -0.08 0.95 -0.36 0.00 0.00 175.35 176.54 2k39 s THR 7 N -0.88 3.54 -0.77 3.43 -4.23 0.56 -0.44 115.64 116.85 2k39 s THR 7 Ca 0.13 -0.91 0.25 0.00 -1.18 0.00 0.00 61.69 59.99 2k39 s THR 7 Cb -0.11 -2.56 0.26 0.00 1.34 0.00 0.00 72.50 71.42 2k39 s THR 7 CO 0.02 0.33 1.78 -0.11 -0.54 0.00 0.00 174.62 176.10 2k39 n LEU 8 N 1.36 0.54 0.09 4.79 7.94 -1.19 -1.99 117.00 128.54 2k39 n LEU 8 Ca -0.15 0.57 0.12 0.00 -1.11 0.00 0.00 56.01 55.44 2k39 n LEU 8 Cb 0.52 -0.42 0.13 0.00 0.53 0.00 0.00 43.42 44.18 2k39 n LEU 8 CO 0.31 -0.22 0.30 0.71 -1.11 0.00 0.00 177.39 177.39 2k39 h THR 9 N 0.00 0.00 0.00 1.96 1.35 -1.96 -3.48 112.91 110.78 2k39 h THR 9 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2k39 h THR 9 Cb 0.58 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2k39 h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k39 n GLY 10 N 1.27 1.15 3.89 5.82 0.00 -0.84 -5.14 105.19 111.34 2k39 n GLY 10 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.59 0.07 1.61 2.20 -1.25 -4.94 119.74 121.01 2k39 s LYS 11 Ca 0.00 -0.12 0.08 0.00 -0.36 0.00 0.00 55.97 55.57 2k39 s LYS 11 Cb 0.00 -2.98 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 2k39 s LYS 11 CO 0.00 0.56 -0.21 0.99 -0.36 0.00 0.00 175.35 176.34 2k39 s THR 12 N -1.48 1.66 0.11 3.43 2.01 -1.26 -0.32 115.64 119.79 2k39 s THR 12 Ca 0.35 -1.35 0.06 0.00 0.31 0.00 0.00 61.69 61.06 2k39 s THR 12 Cb -0.13 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2k39 s THR 12 CO 0.22 0.08 -0.14 0.27 -0.69 0.00 0.00 174.62 174.35 2k39 s ILE 13 N -0.97 1.30 0.03 1.82 -4.36 -0.33 -4.99 121.20 113.70 2k39 s ILE 13 Ca 0.07 -1.65 -0.16 0.00 -0.26 0.00 0.00 60.65 58.65 2k39 s ILE 13 Cb -0.09 -1.46 -0.06 0.00 1.25 0.00 0.00 42.46 42.09 2k39 s ILE 13 CO 0.03 -0.38 0.47 -0.89 0.24 0.00 0.00 174.94 174.41 2k39 s THR 14 N -1.99 4.93 0.17 8.37 2.01 -1.26 -1.89 115.64 125.97 2k39 s THR 14 Ca 0.07 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.03 2k39 s THR 14 Cb -0.06 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 2k39 s THR 14 CO 0.03 0.55 0.05 -0.22 -0.69 0.00 0.00 174.62 174.34 2k39 s LEU 15 N -1.14 1.79 -0.06 4.42 2.96 -0.03 -4.97 118.68 121.65 2k39 s LEU 15 Ca 0.26 -1.24 0.01 0.00 -0.22 0.00 0.00 54.13 52.95 2k39 s LEU 15 Cb -0.17 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.70 2k39 s LEU 15 CO 0.16 -0.69 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.72 2k39 s GLU 16 N -4.02 1.14 0.28 1.98 2.12 -1.26 -1.69 118.70 117.26 2k39 s GLU 16 Ca 0.27 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.45 2k39 s GLU 16 Cb 0.07 -1.07 -0.06 0.00 0.26 0.00 0.00 34.13 33.33 2k39 s GLU 16 CO 0.05 -0.06 -0.02 0.14 -0.54 0.00 0.00 175.26 174.83 2k39 s VAL 17 N 0.91 1.42 0.42 3.70 -7.23 0.56 -4.96 120.40 115.23 2k39 s VAL 17 Ca -0.11 -2.07 -0.10 0.00 -1.81 0.00 0.00 61.98 57.89 2k39 s VAL 17 Cb -0.15 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 2k39 s VAL 17 CO 0.01 -0.23 0.78 -0.70 -0.31 0.00 0.00 175.10 174.64 2k39 s GLU 18 N -3.79 3.74 0.43 4.82 2.56 -1.26 0.44 118.70 125.65 2k39 s GLU 18 Ca 0.31 0.44 0.09 0.00 0.00 0.00 0.00 54.97 55.82 2k39 s GLU 18 Cb 0.05 -2.38 0.95 0.00 2.00 0.00 0.00 34.13 34.75 2k39 s GLU 18 CO 0.12 -0.07 2.07 -1.00 -0.56 0.00 0.00 175.26 175.82 2k39 h PRO 19 N 1.08 0.43 -0.71 4.30 0.13 -1.94 -3.05 132.00 132.24 2k39 h PRO 19 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k39 h PRO 19 Cb 1.19 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k39 h PRO 19 CO 0.63 0.28 0.00 0.43 -0.23 0.00 0.00 178.00 179.12 2k39 n SER 20 N -4.49 4.18 -4.73 1.44 7.64 -1.26 -2.22 113.62 114.18 2k39 n SER 20 Ca 0.02 -2.61 -0.41 0.00 1.01 0.00 0.00 58.87 56.89 2k39 n SER 20 Cb 0.09 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 62.62 2k39 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k39 s ASP 21 N -0.54 7.30 0.73 6.43 1.01 -1.15 -4.96 116.67 125.48 2k39 s ASP 21 Ca 0.37 1.56 -0.11 0.00 0.71 0.00 0.00 52.55 55.07 2k39 s ASP 21 Cb 0.28 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.72 2k39 s ASP 21 CO 0.11 -0.08 1.09 0.42 0.21 0.00 0.00 175.17 176.92 2k39 s THR 22 N 0.29 3.51 0.25 -1.27 -4.23 -1.26 -2.18 115.64 110.75 2k39 s THR 22 Ca 0.44 0.49 -0.10 0.00 -1.18 0.00 0.00 61.69 61.34 2k39 s THR 22 Cb -0.21 -3.35 0.37 0.00 1.34 0.00 0.00 72.50 70.65 2k39 s THR 22 CO 0.25 -0.64 1.45 -0.38 -0.54 0.00 0.00 174.62 174.76 2k39 n ILE 23 N -3.17 -0.42 -0.30 2.99 2.08 -0.81 -0.62 119.36 119.10 2k39 n ILE 23 Ca 0.07 2.15 -0.03 0.00 0.56 0.00 0.00 62.75 65.49 2k39 n ILE 23 Cb 0.56 -2.93 0.12 0.00 -0.75 0.00 0.00 39.64 36.63 2k39 n ILE 23 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2k39 h GLU 24 N 0.00 1.19 0.00 0.38 4.39 -1.56 -2.41 114.58 116.57 2k39 h GLU 24 Ca 0.41 -0.14 -0.16 0.00 0.34 0.00 0.00 59.36 59.82 2k39 h GLU 24 Cb 0.65 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2k39 h GLU 24 CO -0.95 0.88 -0.92 -0.97 -1.16 0.00 0.00 179.01 175.89 2k39 h ASN 25 N 1.20 0.00 0.00 1.42 -1.24 -1.48 -2.89 115.58 112.59 2k39 h ASN 25 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.31 2k39 h ASN 25 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 2k39 h ASN 25 CO -0.05 0.66 0.00 0.52 -1.29 0.00 0.00 177.43 177.27 2k39 n VAL 26 N -3.16 0.00 -0.21 2.57 0.31 0.21 -3.00 118.33 115.05 2k39 n VAL 26 Ca -0.03 1.17 0.20 0.00 -0.01 0.00 0.00 64.34 65.67 2k39 n VAL 26 Cb 0.83 -1.78 0.35 0.00 -0.91 0.00 0.00 33.84 32.33 2k39 n VAL 26 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2k39 n LYS 27 N -1.54 -0.03 0.24 5.55 5.02 -0.91 -1.35 118.16 125.13 2k39 n LYS 27 Ca 0.00 0.77 0.12 0.00 -2.02 0.00 0.00 58.31 57.19 2k39 n LYS 27 Cb 0.00 -1.42 0.48 0.00 -0.02 0.00 0.00 35.03 34.07 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 1.08 0.99 0.00 7.82 0.00 -1.41 -1.61 119.26 126.13 2k39 h ALA 28 Ca 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2k39 h ALA 28 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k39 h ALA 28 CO -0.39 0.17 -1.53 1.63 0.00 0.00 0.00 179.25 179.12 2k39 n LYS 29 N -3.24 0.58 0.13 0.00 5.02 -0.46 -3.32 118.16 116.88 2k39 n LYS 29 Ca 0.01 -0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.20 2k39 n LYS 29 Cb 0.41 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.90 -0.15 -0.18 2.04 -1.41 -3.35 117.51 115.36 2k39 h ILE 30 Ca 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 64.86 63.53 2k39 h ILE 30 Cb 0.74 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 2k39 h ILE 30 CO 0.00 0.51 -0.04 -0.61 0.00 0.00 0.00 178.15 178.01 2k39 h GLN 31 N 0.00 0.30 -0.62 2.37 4.15 -1.29 -1.85 115.11 118.17 2k39 h GLN 31 Ca -0.02 -0.12 0.13 0.00 0.77 0.00 0.00 58.65 59.42 2k39 h GLN 31 Cb 1.43 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 28.99 2k39 h GLN 31 CO 0.07 0.58 -0.04 0.22 -1.93 0.00 0.00 178.83 177.73 2k39 h ASP 32 N -0.01 -0.35 1.28 -0.69 3.58 -1.74 0.14 116.42 118.62 2k39 h ASP 32 Ca 0.04 0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 2k39 h ASP 32 Cb 0.48 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2k39 h ASP 32 CO 0.02 -0.14 -0.35 0.11 -2.88 0.00 0.00 179.24 176.00 2k39 h LYS 33 N 0.08 0.00 0.00 0.28 6.56 -1.61 -3.41 116.57 118.47 2k39 h LYS 33 Ca 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.91 2k39 h LYS 33 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 2k39 h LYS 33 CO -0.56 0.35 -0.60 -1.91 -2.06 0.00 0.00 179.45 174.67 2k39 n GLU 34 N -3.30 1.31 -0.21 3.15 4.07 -0.72 -5.06 120.64 119.87 2k39 n GLU 34 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2k39 n GLU 34 Cb 0.59 -0.80 0.00 0.00 -0.06 0.00 0.00 31.44 31.17 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 2.30 0.96 3.67 8.31 0.00 0.41 -5.04 105.19 115.80 2k39 n GLY 35 Ca 0.00 0.00 -0.41 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 -2.63 4.89 0.56 -0.61 1.01 -1.26 -5.04 121.20 118.12 2k39 s ILE 36 Ca 0.00 1.64 -0.17 0.00 0.00 0.00 0.00 60.65 62.12 2k39 s ILE 36 Cb 0.00 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2k39 s ILE 36 CO 0.00 0.05 1.05 -2.16 0.00 0.00 0.00 174.94 173.88 2k39 s PRO 37 N 2.02 3.46 0.23 2.79 0.04 -1.26 -4.28 135.00 138.01 2k39 s PRO 37 Ca 0.39 1.27 -0.07 0.00 0.04 0.00 0.00 61.00 62.63 2k39 s PRO 37 Cb -0.17 -2.05 0.30 0.00 0.04 0.00 0.00 34.50 32.62 2k39 s PRO 37 CO 0.13 -0.70 1.84 -1.00 0.04 0.00 0.00 177.00 177.32 2k39 h PRO 38 N 0.80 0.88 -0.10 0.56 0.13 -1.94 -2.71 132.00 129.62 2k39 h PRO 38 Ca -0.48 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2k39 h PRO 38 Cb 1.22 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2k39 h PRO 38 CO 0.58 0.58 0.52 0.22 -0.23 0.00 0.00 178.00 179.67 2k39 h ASP 39 N 0.91 0.00 -0.00 1.44 3.58 -1.98 -1.93 116.42 118.43 2k39 h ASP 39 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 2k39 h ASP 39 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2k39 h ASP 39 CO -0.16 0.00 -0.56 1.67 -2.88 0.00 0.00 179.24 177.31 2k39 n GLN 40 N -2.93 2.71 -2.65 0.28 -0.06 -1.03 -4.94 117.38 108.76 2k39 n GLN 40 Ca 0.01 -0.09 -0.41 0.00 -2.00 0.00 0.00 57.00 54.51 2k39 n GLN 40 Cb 0.59 -1.11 -0.05 0.00 -4.06 0.00 0.00 30.24 25.61 2k39 n GLN 40 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2k39 s GLN 41 N -2.13 4.71 -0.22 3.69 -0.21 -0.73 -2.05 119.66 122.73 2k39 s GLN 41 Ca 0.06 1.58 0.00 0.00 0.02 0.00 0.00 55.36 57.02 2k39 s GLN 41 Cb 0.10 -3.30 0.06 0.00 1.00 0.00 0.00 33.01 30.86 2k39 s GLN 41 CO 0.50 0.26 -0.05 1.03 -2.12 0.00 0.00 175.29 174.91 2k39 s ARG 42 N -0.60 1.56 -0.26 2.91 1.81 -0.73 -4.86 118.95 118.77 2k39 s ARG 42 Ca 0.46 -0.86 -0.10 0.00 -1.72 0.00 0.00 55.73 53.50 2k39 s ARG 42 Cb -0.27 -2.45 -0.05 0.00 -0.45 0.00 0.00 34.95 31.73 2k39 s ARG 42 CO 0.33 -0.56 0.17 -0.51 -0.68 0.00 0.00 175.30 174.05 2k39 s LEU 43 N 1.47 4.03 -0.10 2.53 1.43 -1.26 -0.78 118.68 125.99 2k39 s LEU 43 Ca -0.04 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2k39 s LEU 43 Cb -0.18 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2k39 s LEU 43 CO -0.07 0.01 0.05 -0.63 0.23 0.00 0.00 176.35 175.94 2k39 s ILE 44 N 1.39 4.71 -0.14 -0.59 1.09 0.13 -2.17 121.20 125.62 2k39 s ILE 44 Ca 0.07 -0.09 -0.05 0.00 -1.10 0.00 0.00 60.65 59.48 2k39 s ILE 44 Cb -0.15 -3.01 0.07 0.00 -1.06 0.00 0.00 42.46 38.31 2k39 s ILE 44 CO 0.07 0.60 0.29 0.12 -0.10 0.00 0.00 174.94 175.93 2k39 s PHE 45 N -0.88 -0.48 -1.30 3.97 5.36 -0.58 -0.57 117.98 123.51 2k39 s PHE 45 Ca 0.13 1.05 -0.05 0.00 -0.96 0.00 0.00 56.93 57.11 2k39 s PHE 45 Cb -0.12 0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.63 2k39 s PHE 45 CO 0.03 -0.37 0.35 0.00 -1.46 0.00 0.00 175.22 173.77 2k39 n ALA 46 N 5.25 -0.94 0.00 11.12 0.00 -1.26 -2.59 120.51 132.09 2k39 n ALA 46 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2k39 n ALA 46 Cb 0.50 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 -1.13 2.65 3.79 0.00 0.00 -1.26 -5.07 105.19 104.16 2k39 n GLY 47 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.98 4.12 0.15 1.61 1.02 -1.07 -5.10 119.74 119.51 2k39 s LYS 48 Ca 0.00 0.44 -0.30 0.00 0.02 0.00 0.00 55.97 56.13 2k39 s LYS 48 Cb 0.00 -3.31 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 2k39 s LYS 48 CO 0.00 0.47 1.23 -0.65 -0.92 0.00 0.00 175.35 175.48 2k39 s GLN 49 N -0.37 4.45 0.17 1.68 -0.21 -1.26 -1.53 119.66 122.58 2k39 s GLN 49 Ca 0.25 1.90 0.02 0.00 0.02 0.00 0.00 55.36 57.54 2k39 s GLN 49 Cb -0.16 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.55 2k39 s GLN 49 CO 0.12 -0.18 0.31 -0.51 -2.12 0.00 0.00 175.29 172.92 2k39 s LEU 50 N 0.19 4.31 0.00 2.90 1.43 -0.92 -5.02 118.68 121.57 2k39 s LEU 50 Ca 0.56 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.72 2k39 s LEU 50 Cb -0.33 -2.97 -0.06 0.00 0.03 0.00 0.00 46.19 42.86 2k39 s LEU 50 CO 0.35 0.02 0.44 -1.61 0.23 0.00 0.00 176.35 175.77 2k39 s GLU 51 N -3.29 4.00 0.16 1.70 0.41 -1.26 -4.89 118.70 115.52 2k39 s GLU 51 Ca 0.35 0.46 -0.29 0.00 -0.41 0.00 0.00 54.97 55.09 2k39 s GLU 51 Cb -0.11 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2k39 s GLU 51 CO 0.29 0.64 1.55 -0.44 -0.49 0.00 0.00 175.26 176.81 2k39 h ASP 52 N 4.85 -1.82 -0.46 -0.19 3.32 -1.98 -3.15 116.42 117.00 2k39 h ASP 52 Ca -0.50 0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2k39 h ASP 52 Cb 1.22 0.81 0.00 0.00 0.22 0.00 0.00 39.33 41.57 2k39 h ASP 52 CO 0.63 -0.32 0.00 0.61 -1.72 0.00 0.00 179.24 178.44 2k39 n GLY 53 N -1.35 3.35 3.85 2.75 0.00 -1.26 -1.41 105.19 111.11 2k39 n GLY 53 Ca 0.01 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.59 3.32 0.85 1.61 1.81 -1.19 -4.90 118.95 117.86 2k39 s ARG 54 Ca 0.48 -0.29 -0.12 0.00 -1.72 0.00 0.00 55.73 54.09 2k39 s ARG 54 Cb 0.36 -3.06 0.10 0.00 -0.45 0.00 0.00 34.95 31.91 2k39 s ARG 54 CO 0.14 0.71 1.10 0.95 -0.68 0.00 0.00 175.30 177.52 2k39 s THR 55 N -1.14 2.82 0.38 0.02 -4.23 -1.26 -1.93 115.64 110.29 2k39 s THR 55 Ca 0.20 0.27 0.32 0.00 -1.18 0.00 0.00 61.69 61.30 2k39 s THR 55 Cb -0.12 -2.88 0.35 0.00 1.34 0.00 0.00 72.50 71.19 2k39 s THR 55 CO 0.11 -0.35 2.10 -0.07 -0.54 0.00 0.00 174.62 175.87 2k39 h LEU 56 N -1.34 0.00 -0.98 4.79 3.38 -0.96 -2.66 115.31 117.54 2k39 h LEU 56 Ca -0.48 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 2k39 h LEU 56 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2k39 h LEU 56 CO 0.57 0.07 -0.30 0.28 0.09 0.00 0.00 178.44 179.15 2k39 h SER 57 N 0.00 0.00 1.15 -0.43 0.02 -1.71 0.45 113.55 113.02 2k39 h SER 57 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k39 h SER 57 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k39 h SER 57 CO 0.01 0.30 -0.10 0.44 -1.14 0.00 0.00 176.83 176.34 2k39 h ASP 58 N 0.00 0.00 -0.00 3.07 3.32 -1.84 -2.94 116.42 118.03 2k39 h ASP 58 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k39 h ASP 58 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2k39 h ASP 58 CO 0.04 0.10 -0.27 -1.22 -1.72 0.00 0.00 179.24 176.17 2k39 n TYR 59 N -3.21 0.00 -2.04 4.55 4.01 -1.17 -4.98 117.16 114.32 2k39 n TYR 59 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.68 2k39 n TYR 59 Cb 0.40 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.43 -2.72 -4.55 7.72 3.02 -0.87 -5.01 115.26 113.28 2k39 n ASN 60 Ca 0.12 0.01 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2k39 n ASN 60 Cb 0.50 -1.94 -0.07 0.00 -0.61 0.00 0.00 39.78 37.66 2k39 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k39 s ILE 61 N -2.33 4.93 -0.40 2.41 1.01 0.15 -4.98 121.20 122.00 2k39 s ILE 61 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 60.65 61.02 2k39 s ILE 61 Cb 0.00 -4.06 0.16 0.00 0.01 0.00 0.00 42.46 38.57 2k39 s ILE 61 CO 0.00 -0.34 0.35 -1.58 0.00 0.00 0.00 174.94 173.36 2k39 s GLN 62 N 2.58 0.80 0.00 2.79 2.00 -1.26 -4.11 119.66 122.46 2k39 s GLN 62 Ca 0.21 -1.69 0.00 0.00 -2.00 0.00 0.00 55.36 51.88 2k39 s GLN 62 Cb -0.15 -1.19 0.00 0.00 0.80 0.00 0.00 33.01 32.47 2k39 s GLN 62 CO 0.15 -1.32 0.00 1.17 -0.50 0.00 0.00 175.29 174.79 2k39 n LYS 63 N 3.30 0.00 -1.03 1.67 0.00 -1.26 -4.80 118.16 116.04 2k39 n LYS 63 Ca 0.23 0.22 -0.01 0.00 0.00 0.00 0.00 58.31 58.74 2k39 n LYS 63 Cb 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 35.03 35.24 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 1.54 -0.13 -2.74 1.64 1.02 0.57 -4.99 120.64 117.55 2k39 n GLU 64 Ca 0.00 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.25 2k39 n GLU 64 Cb 0.00 -3.85 -0.02 0.00 -0.02 0.00 0.00 31.44 27.55 2k39 n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k39 s SER 65 N -2.70 6.47 -0.33 1.62 1.04 -1.26 -4.76 113.70 113.78 2k39 s SER 65 Ca 0.00 1.14 -0.06 0.00 0.48 0.00 0.00 55.95 57.51 2k39 s SER 65 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.83 2k39 s SER 65 CO 0.00 -0.47 0.09 -0.89 0.98 0.00 0.00 173.24 172.96 2k39 s THR 66 N -2.49 3.74 -0.08 2.02 2.01 -1.26 -0.16 115.64 119.41 2k39 s THR 66 Ca 0.51 -1.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 2k39 s THR 66 Cb -0.10 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2k39 s THR 66 CO 0.35 -0.15 0.61 -0.76 -0.69 0.00 0.00 174.62 173.98 2k39 s LEU 67 N 1.40 4.31 -0.16 4.42 1.02 -1.04 -4.91 118.68 123.72 2k39 s LEU 67 Ca -0.02 1.05 -0.16 0.00 0.02 0.00 0.00 54.13 55.03 2k39 s LEU 67 Cb -0.19 -2.93 -0.04 0.00 0.02 0.00 0.00 46.19 43.05 2k39 s LEU 67 CO 0.02 -0.06 0.38 -1.00 0.02 0.00 0.00 176.35 175.71 2k39 s HIS 68 N 0.67 3.45 -0.20 0.29 3.76 0.27 -1.72 115.29 121.81 2k39 s HIS 68 Ca 0.33 0.68 -0.05 0.00 -0.15 0.00 0.00 55.06 55.87 2k39 s HIS 68 Cb -0.17 -2.46 -0.02 0.00 1.11 0.00 0.00 32.58 31.05 2k39 s HIS 68 CO 0.15 0.14 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.00 2k39 s LEU 69 N 0.78 3.14 0.26 0.89 2.96 0.41 0.20 118.68 127.32 2k39 s LEU 69 Ca 0.20 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2k39 s LEU 69 Cb -0.14 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.70 2k39 s LEU 69 CO 0.07 0.04 -0.07 0.68 -1.32 0.00 0.00 176.35 175.75 2k39 s VAL 70 N 1.12 1.60 -0.15 1.68 -7.23 0.04 -3.18 120.40 114.28 2k39 s VAL 70 Ca 0.02 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 2k39 s VAL 70 Cb -0.14 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2k39 s VAL 70 CO 0.01 -0.35 0.02 -0.76 -0.31 0.00 0.00 175.10 173.71 2k39 s LEU 71 N -3.41 3.60 -1.13 1.32 1.02 -1.26 -1.78 118.68 117.05 2k39 s LEU 71 Ca 0.28 0.04 -0.21 0.00 0.02 0.00 0.00 54.13 54.26 2k39 s LEU 71 Cb 0.03 -1.88 0.03 0.00 0.02 0.00 0.00 46.19 44.40 2k39 s LEU 71 CO 0.11 0.23 1.65 -0.60 0.02 0.00 0.00 176.35 177.76 2k39 s ARG 72 N 0.04 3.53 0.18 1.70 3.52 -0.87 -4.65 118.95 122.41 2k39 s ARG 72 Ca 0.03 -1.36 -0.06 0.00 -0.13 0.00 0.00 55.73 54.21 2k39 s ARG 72 Cb -0.13 -5.39 0.02 0.00 -1.56 0.00 0.00 34.95 27.90 2k39 s ARG 72 CO 0.02 -2.51 0.34 1.47 -0.81 0.00 0.00 175.30 173.81 2k39 n LEU 73 N 9.73 0.00 -2.56 -0.88 -0.00 -1.26 -5.02 117.00 117.01 2k39 n LEU 73 Ca 0.41 -1.23 0.00 0.00 -0.00 0.00 0.00 56.01 55.19 2k39 n LEU 73 Cb 0.48 1.68 0.00 0.00 -0.00 0.00 0.00 43.42 45.59 2k39 n LEU 73 CO 0.70 -0.38 0.54 -2.11 -0.00 0.00 0.00 177.39 176.13 2k39 n ARG 74 N -0.25 0.00 -4.33 1.47 1.85 -1.26 -4.75 116.66 109.38 2k39 n ARG 74 Ca -0.03 -0.05 -0.23 0.00 -1.00 0.00 0.00 57.85 56.53 2k39 n ARG 74 Cb 0.28 -1.53 -0.07 0.00 -1.05 0.00 0.00 32.46 30.08 2k39 n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k39 n GLY 75 N 3.08 3.12 0.00 2.89 0.00 -1.26 -5.21 105.19 107.81 2k39 n GLY 75 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93