#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 3.70 0.37 2.12 0.74 -1.26 0.77 119.66 126.10 2k39 s GLN 2 Ca 0.00 -0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.42 2k39 s GLN 2 Cb 0.00 -3.25 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 2k39 s GLN 2 CO 0.00 0.65 0.17 0.96 -0.55 0.00 0.00 175.29 176.51 2k39 s ILE 3 N -0.70 0.42 -0.06 -2.34 -4.36 -0.17 -0.88 121.20 113.12 2k39 s ILE 3 Ca 0.16 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.59 2k39 s ILE 3 Cb -0.13 -2.42 -0.00 0.00 1.25 0.00 0.00 42.46 41.16 2k39 s ILE 3 CO 0.05 0.00 -0.18 -0.36 0.24 0.00 0.00 174.94 174.69 2k39 s PHE 4 N -3.34 1.84 -0.10 1.37 0.08 -0.70 -1.77 117.98 115.36 2k39 s PHE 4 Ca 0.30 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.78 2k39 s PHE 4 Cb 0.03 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.22 2k39 s PHE 4 CO 0.18 -0.23 -0.20 0.08 -0.10 0.00 0.00 175.22 174.96 2k39 s VAL 5 N 0.19 2.48 0.02 -0.44 1.01 -0.63 -0.80 120.40 122.22 2k39 s VAL 5 Ca -0.08 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2k39 s VAL 5 Cb -0.13 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2k39 s VAL 5 CO 0.04 0.55 1.07 -0.54 0.00 0.00 0.00 175.10 176.22 2k39 s LYS 6 N 0.17 4.50 0.37 2.72 1.02 -0.63 -0.04 119.74 127.85 2k39 s LYS 6 Ca -0.11 1.56 -0.19 0.00 0.02 0.00 0.00 55.97 57.25 2k39 s LYS 6 Cb -0.16 -3.42 -0.10 0.00 -0.52 0.00 0.00 37.83 33.63 2k39 s LYS 6 CO 0.06 -0.15 0.85 0.95 -0.92 0.00 0.00 175.35 176.14 2k39 s THR 7 N 1.10 4.51 0.38 2.17 -4.23 -0.38 -2.63 115.64 116.56 2k39 s THR 7 Ca 0.55 1.27 0.37 0.00 -1.18 0.00 0.00 61.69 62.69 2k39 s THR 7 Cb -0.24 -3.63 0.39 0.00 1.34 0.00 0.00 72.50 70.36 2k39 s THR 7 CO 0.28 -0.22 2.15 0.17 -0.54 0.00 0.00 174.62 176.46 2k39 h LEU 8 N 2.17 0.00 -0.50 4.79 8.10 -1.87 0.20 115.31 128.19 2k39 h LEU 8 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.51 2k39 h LEU 8 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.40 2k39 h LEU 8 CO 0.63 0.03 0.00 0.35 -4.11 0.00 0.00 178.44 175.34 2k39 n THR 9 N -3.20 0.83 -0.04 0.15 -2.24 -1.26 -4.94 114.28 103.58 2k39 n THR 9 Ca -0.01 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2k39 n THR 9 Cb 0.20 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 0.10 0.57 3.90 3.38 0.00 0.69 -5.07 105.19 108.76 2k39 n GLY 10 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2k39 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 11 N -0.96 3.65 0.14 1.61 -2.85 -1.26 -4.92 119.74 115.15 2k39 s LYS 11 Ca 0.00 0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 55.06 2k39 s LYS 11 Cb 0.00 -2.58 -0.04 0.00 -2.06 0.00 0.00 37.83 33.15 2k39 s LYS 11 CO 0.00 0.14 0.32 0.99 0.10 0.00 0.00 175.35 176.90 2k39 s THR 12 N -2.18 5.27 0.04 3.79 2.01 -1.26 -1.24 115.64 122.06 2k39 s THR 12 Ca 0.45 -0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2k39 s THR 12 Cb -0.11 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2k39 s THR 12 CO 0.31 -0.02 -0.18 0.27 -0.69 0.00 0.00 174.62 174.31 2k39 s ILE 13 N -1.70 1.44 0.09 1.82 -4.36 0.95 -4.90 121.20 114.53 2k39 s ILE 13 Ca 0.37 -1.09 -0.10 0.00 -0.26 0.00 0.00 60.65 59.57 2k39 s ILE 13 Cb -0.12 -1.26 -0.06 0.00 1.25 0.00 0.00 42.46 42.27 2k39 s ILE 13 CO 0.28 0.15 0.42 -0.89 0.24 0.00 0.00 174.94 175.13 2k39 s THR 14 N -0.78 5.07 0.09 8.37 2.01 -1.26 -1.61 115.64 127.53 2k39 s THR 14 Ca 0.05 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.43 2k39 s THR 14 Cb -0.08 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.78 2k39 s THR 14 CO 0.01 0.28 0.23 -1.48 -0.69 0.00 0.00 174.62 172.97 2k39 s LEU 15 N -1.93 1.22 -0.08 4.42 2.34 -0.73 -4.99 118.68 118.92 2k39 s LEU 15 Ca 0.34 -0.56 -0.01 0.00 0.06 0.00 0.00 54.13 53.96 2k39 s LEU 15 Cb -0.14 1.19 -0.03 0.00 -0.56 0.00 0.00 46.19 46.64 2k39 s LEU 15 CO 0.18 -0.74 -0.03 -1.61 -1.06 0.00 0.00 176.35 173.10 2k39 s GLU 16 N -3.73 2.88 0.34 1.48 8.01 -1.26 -1.00 118.70 125.43 2k39 s GLU 16 Ca 0.04 -0.47 0.06 0.00 0.01 0.00 0.00 54.97 54.61 2k39 s GLU 16 Cb 0.04 -2.70 -0.03 0.00 -4.31 0.00 0.00 34.13 27.12 2k39 s GLU 16 CO -0.10 0.68 0.25 0.54 0.01 0.00 0.00 175.26 176.64 2k39 s VAL 17 N -0.84 0.10 -0.01 2.63 0.11 0.23 -4.93 120.40 117.69 2k39 s VAL 17 Ca 0.13 -2.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.20 2k39 s VAL 17 Cb -0.11 -2.46 -0.00 0.00 -1.53 0.00 0.00 36.38 32.27 2k39 s VAL 17 CO 0.02 0.00 -0.07 -0.70 -3.33 0.00 0.00 175.10 171.02 2k39 s GLU 18 N -3.51 0.66 0.40 1.54 2.56 -1.26 -0.66 118.70 118.44 2k39 s GLU 18 Ca 0.37 -0.25 0.23 0.00 0.00 0.00 0.00 54.97 55.33 2k39 s GLU 18 Cb 0.02 -0.64 1.26 0.00 2.00 0.00 0.00 34.13 36.77 2k39 s GLU 18 CO 0.25 0.12 1.67 -1.35 -0.56 0.00 0.00 175.26 175.39 2k39 h PRO 19 N 6.16 0.21 -0.20 4.30 0.11 -1.96 -0.38 132.00 140.23 2k39 h PRO 19 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2k39 h PRO 19 Cb 1.18 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2k39 h PRO 19 CO 0.49 0.14 0.00 -1.13 -0.21 0.00 0.00 178.00 177.29 2k39 n SER 20 N -4.79 2.51 -4.81 -2.05 3.41 -1.26 -1.44 113.62 105.20 2k39 n SER 20 Ca 0.33 -1.84 -0.31 0.00 -0.26 0.00 0.00 58.87 56.79 2k39 n SER 20 Cb 1.18 -0.13 0.06 0.00 -0.26 0.00 0.00 64.21 65.07 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 -1.67 5.11 0.16 4.04 -1.08 -0.15 -4.88 116.67 118.20 2k39 s ASP 21 Ca 0.35 1.63 0.04 0.00 -0.52 0.00 0.00 52.55 54.05 2k39 s ASP 21 Cb 0.20 -2.46 -0.04 0.00 -1.46 0.00 0.00 42.92 39.17 2k39 s ASP 21 CO 0.30 -1.62 0.21 0.42 0.52 0.00 0.00 175.17 175.00 2k39 s THR 22 N -3.02 4.89 0.03 1.71 -4.23 -1.26 -2.35 115.64 111.41 2k39 s THR 22 Ca 0.59 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.90 2k39 s THR 22 Cb -0.15 -3.52 -0.17 0.00 1.34 0.00 0.00 72.50 70.01 2k39 s THR 22 CO 0.55 -0.11 1.33 0.40 -0.54 0.00 0.00 174.62 176.25 2k39 h ILE 23 N 1.82 0.27 -0.80 2.99 1.08 -1.89 -3.26 117.51 117.71 2k39 h ILE 23 Ca -0.48 -0.25 0.18 0.00 -0.39 0.00 0.00 64.86 63.91 2k39 h ILE 23 Cb 1.20 0.34 -0.15 0.00 -3.07 0.00 0.00 36.82 35.14 2k39 h ILE 23 CO 0.66 0.03 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.98 2k39 h GLU 24 N -1.04 0.04 -0.08 2.37 4.81 -1.91 -1.70 114.58 117.08 2k39 h GLU 24 Ca -0.09 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2k39 h GLU 24 Cb 0.70 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.01 2k39 h GLU 24 CO 0.14 0.03 -0.48 -0.97 -0.73 0.00 0.00 179.01 177.00 2k39 h ASN 25 N 0.05 -1.52 -0.08 1.04 -1.24 -1.99 0.18 115.58 112.02 2k39 h ASN 25 Ca 0.42 0.18 -0.23 0.00 0.71 0.00 0.00 56.30 57.38 2k39 h ASN 25 Cb 0.73 0.59 0.01 0.00 0.73 0.00 0.00 38.32 40.38 2k39 h ASN 25 CO -0.77 -0.45 -0.84 0.58 -1.29 0.00 0.00 177.43 174.66 2k39 h VAL 26 N -0.55 1.28 0.00 2.57 2.07 -1.65 -3.27 116.25 116.70 2k39 h VAL 26 Ca 0.02 -2.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 2k39 h VAL 26 Cb 0.62 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2k39 h VAL 26 CO -0.36 0.65 -0.10 0.50 0.02 0.00 0.00 177.57 178.27 2k39 h LYS 27 N 0.49 0.00 0.00 1.57 3.64 -0.63 -3.07 116.57 118.57 2k39 h LYS 27 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2k39 h LYS 27 Cb 1.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2k39 h LYS 27 CO 0.17 0.10 -0.79 0.00 -2.27 0.00 0.00 179.45 176.66 2k39 n ALA 28 N -2.45 3.18 0.10 5.00 0.00 0.57 -4.31 120.51 122.60 2k39 n ALA 28 Ca -0.03 -0.32 0.19 0.00 0.00 0.00 0.00 53.44 53.28 2k39 n ALA 28 Cb 0.18 -1.08 0.75 0.00 0.00 0.00 0.00 19.45 19.30 2k39 n ALA 28 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k39 h LYS 29 N 0.00 0.00 -0.31 0.00 3.11 -1.58 -3.25 116.57 114.54 2k39 h LYS 29 Ca 0.00 0.00 0.09 0.00 -2.81 0.00 0.00 60.65 57.93 2k39 h LYS 29 Cb 0.72 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 2k39 h LYS 29 CO 0.00 0.00 0.67 0.97 -2.81 0.00 0.00 179.45 178.28 2k39 h ILE 30 N 0.00 0.10 0.00 2.00 6.09 -1.76 -2.91 117.51 121.03 2k39 h ILE 30 Ca 0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 2k39 h ILE 30 Cb 0.86 0.40 0.00 0.00 0.47 0.00 0.00 36.82 38.55 2k39 h ILE 30 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 2k39 n GLN 31 N -3.10 0.09 0.00 2.19 10.64 -1.23 -4.32 117.38 121.65 2k39 n GLN 31 Ca 0.06 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2k39 n GLN 31 Cb 0.79 -1.35 0.00 0.00 -0.86 0.00 0.00 30.24 28.82 2k39 n GLN 31 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2k39 n ASP 32 N -0.85 0.00 0.00 2.61 2.03 -1.10 -4.35 116.55 114.89 2k39 n ASP 32 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2k39 n ASP 32 Cb 0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2k39 n ASP 32 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2k39 n LYS 33 N -3.83 3.10 -4.51 -0.67 -0.00 -1.26 -5.01 118.16 105.97 2k39 n LYS 33 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.07 2k39 n LYS 33 Cb 0.00 -0.26 -0.11 0.00 -0.00 0.00 0.00 35.03 34.66 2k39 n LYS 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2k39 s GLU 34 N 0.00 1.75 -0.73 -1.58 1.03 -1.26 -5.09 118.70 112.81 2k39 s GLU 34 Ca 0.00 -1.97 0.03 0.00 0.03 0.00 0.00 54.97 53.06 2k39 s GLU 34 Cb 0.00 -1.19 0.32 0.00 -0.80 0.00 0.00 34.13 32.46 2k39 s GLU 34 CO 0.00 -0.11 1.17 0.41 -1.33 0.00 0.00 175.26 175.40 2k39 n GLY 35 N -0.78 5.61 3.85 -3.83 0.00 -1.26 -4.27 105.19 104.51 2k39 n GLY 35 Ca -0.04 -2.73 -0.33 0.00 0.00 0.00 0.00 46.02 42.92 2k39 n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k39 s ILE 36 N -4.05 4.70 0.18 -0.61 -4.36 -1.26 -5.04 121.20 110.77 2k39 s ILE 36 Ca 0.44 0.93 -0.30 0.00 -0.26 0.00 0.00 60.65 61.46 2k39 s ILE 36 Cb 0.22 -3.65 -0.08 0.00 1.25 0.00 0.00 42.46 40.21 2k39 s ILE 36 CO -0.10 -0.10 1.07 -2.16 0.24 0.00 0.00 174.94 173.89 2k39 s PRO 37 N -2.77 4.63 0.29 0.37 0.04 -1.26 -4.53 135.00 131.76 2k39 s PRO 37 Ca 0.51 1.68 0.26 0.00 0.04 0.00 0.00 61.00 63.48 2k39 s PRO 37 Cb -0.11 -3.28 0.80 0.00 0.04 0.00 0.00 34.50 31.95 2k39 s PRO 37 CO 0.18 0.14 1.75 -1.00 0.04 0.00 0.00 177.00 178.11 2k39 h PRO 38 N 4.96 0.00 0.00 0.56 0.13 -1.91 -2.97 132.00 132.77 2k39 h PRO 38 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k39 h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k39 h PRO 38 CO 0.71 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.70 2k39 h ASP 39 N 0.00 0.00 -0.34 1.44 3.58 -1.93 -2.77 116.42 116.40 2k39 h ASP 39 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k39 h ASP 39 Cb 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 2k39 h ASP 39 CO 0.00 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.36 2k39 n GLN 40 N -2.36 2.80 -4.01 0.28 1.13 -1.12 -4.86 117.38 109.24 2k39 n GLN 40 Ca 0.02 -1.64 -0.08 0.00 -1.94 0.00 0.00 57.00 53.37 2k39 n GLN 40 Cb 0.25 -1.76 -0.09 0.00 0.11 0.00 0.00 30.24 28.75 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 -1.82 0.69 -0.05 -1.09 1.03 -1.05 -4.79 119.66 112.58 2k39 s GLN 41 Ca 0.29 -1.14 -0.14 0.00 0.04 0.00 0.00 55.36 54.41 2k39 s GLN 41 Cb 0.20 0.25 0.03 0.00 0.03 0.00 0.00 33.01 33.52 2k39 s GLN 41 CO 0.11 -0.16 0.33 1.03 -2.54 0.00 0.00 175.29 174.06 2k39 s ARG 42 N -3.90 0.60 -0.25 9.60 0.52 0.71 -4.85 118.95 121.37 2k39 s ARG 42 Ca 0.07 0.02 -0.14 0.00 -0.52 0.00 0.00 55.73 55.16 2k39 s ARG 42 Cb 0.07 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.77 2k39 s ARG 42 CO -0.10 -0.15 0.32 -0.51 0.02 0.00 0.00 175.30 174.89 2k39 s LEU 43 N -0.87 4.07 0.11 2.53 2.01 -1.26 0.64 118.68 125.91 2k39 s LEU 43 Ca -0.09 0.27 -0.13 0.00 0.01 0.00 0.00 54.13 54.19 2k39 s LEU 43 Cb -0.04 -2.36 -0.06 0.00 0.01 0.00 0.00 46.19 43.73 2k39 s LEU 43 CO 0.03 -0.11 0.48 -0.63 1.01 0.00 0.00 176.35 177.14 2k39 s ILE 44 N 1.73 4.96 0.00 -0.59 1.01 0.40 -2.21 121.20 126.50 2k39 s ILE 44 Ca 0.14 0.69 0.00 0.00 0.00 0.00 0.00 60.65 61.48 2k39 s ILE 44 Cb -0.15 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2k39 s ILE 44 CO 0.09 0.29 0.00 2.22 0.00 0.00 0.00 174.94 177.54 2k39 n PHE 45 N 0.93 0.00 -3.65 3.97 -1.74 -0.69 -0.94 117.46 115.34 2k39 n PHE 45 Ca -0.07 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.54 2k39 n PHE 45 Cb 0.52 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.40 2k39 n PHE 45 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k39 s ALA 46 N -2.92 2.41 0.00 1.98 0.00 -1.26 -4.63 121.76 117.34 2k39 s ALA 46 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 49.01 2k39 s ALA 46 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.25 2k39 s ALA 46 CO 0.00 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.13 2k39 n GLY 47 N 2.76 2.43 3.47 0.00 0.00 -1.26 -4.94 105.19 107.65 2k39 n GLY 47 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 2k39 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k39 s LYS 48 N -0.70 1.59 -0.04 1.61 -2.85 -1.26 -5.12 119.74 112.97 2k39 s LYS 48 Ca 0.00 -1.51 -0.00 0.00 -1.00 0.00 0.00 55.97 53.46 2k39 s LYS 48 Cb 0.00 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2k39 s LYS 48 CO 0.00 -0.63 0.01 -0.65 0.10 0.00 0.00 175.35 174.18 2k39 s GLN 49 N -3.73 2.90 0.83 1.78 1.11 -1.26 -1.70 119.66 119.59 2k39 s GLN 49 Ca 0.29 -0.51 -0.12 0.00 0.01 0.00 0.00 55.36 55.03 2k39 s GLN 49 Cb 0.01 -2.74 0.09 0.00 -1.01 0.00 0.00 33.01 29.36 2k39 s GLN 49 CO 0.13 0.66 1.10 -0.51 0.01 0.00 0.00 175.29 176.69 2k39 s LEU 50 N -1.31 2.43 -0.01 2.90 1.43 -0.94 -5.00 118.68 118.19 2k39 s LEU 50 Ca 0.17 1.26 -0.18 0.00 -1.03 0.00 0.00 54.13 54.35 2k39 s LEU 50 Cb -0.11 -3.79 0.03 0.00 0.03 0.00 0.00 46.19 42.35 2k39 s LEU 50 CO 0.07 -2.17 0.39 -0.70 0.23 0.00 0.00 176.35 174.17 2k39 s GLU 51 N -5.15 0.78 0.09 1.70 2.12 -1.26 -4.77 118.70 112.20 2k39 s GLU 51 Ca 0.62 -0.15 -0.36 0.00 0.36 0.00 0.00 54.97 55.44 2k39 s GLU 51 Cb -0.15 0.35 -0.18 0.00 0.26 0.00 0.00 34.13 34.41 2k39 s GLU 51 CO 0.54 -0.23 1.07 -3.47 -0.54 0.00 0.00 175.26 172.64 2k39 n ASP 52 N 1.07 0.50 0.00 -1.70 2.03 -1.26 -3.91 116.55 113.28 2k39 n ASP 52 Ca -0.21 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.25 2k39 n ASP 52 Cb 0.57 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 2k39 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k39 n GLY 53 N 1.91 1.09 3.98 0.27 0.00 -1.26 -5.10 105.19 106.08 2k39 n GLY 53 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 3.21 0.47 1.61 3.00 -1.25 -5.06 118.95 120.93 2k39 s ARG 54 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 55.73 54.93 2k39 s ARG 54 Cb 0.00 -2.81 0.02 0.00 0.00 0.00 0.00 34.95 32.16 2k39 s ARG 54 CO 0.00 0.13 0.53 0.95 0.00 0.00 0.00 175.30 176.92 2k39 s THR 55 N -2.16 2.50 0.38 0.02 -4.23 -1.26 -3.34 115.64 107.55 2k39 s THR 55 Ca 0.42 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.81 2k39 s THR 55 Cb -0.09 -2.68 0.23 0.00 1.34 0.00 0.00 72.50 71.29 2k39 s THR 55 CO 0.31 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.32 2k39 h LEU 56 N 0.68 0.48 0.00 4.79 4.07 -1.34 -2.52 115.31 121.46 2k39 h LEU 56 Ca -0.38 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.54 2k39 h LEU 56 Cb 1.28 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.90 2k39 h LEU 56 CO 0.50 0.42 0.00 -1.54 -1.08 0.00 0.00 178.44 176.74 2k39 n SER 57 N -4.40 0.00 0.12 -0.43 3.41 -0.52 -0.96 113.62 110.84 2k39 n SER 57 Ca 0.03 0.35 -0.01 0.00 -0.26 0.00 0.00 58.87 58.97 2k39 n SER 57 Cb 0.13 -0.45 0.24 0.00 -0.26 0.00 0.00 64.21 63.87 2k39 n SER 57 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2k39 h ASP 58 N 0.00 0.17 -0.33 4.04 3.32 -1.74 -3.26 116.42 118.62 2k39 h ASP 58 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2k39 h ASP 58 Cb 0.42 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2k39 h ASP 58 CO 0.00 0.59 0.00 -1.22 -1.72 0.00 0.00 179.24 176.89 2k39 n TYR 59 N -4.01 0.53 -0.27 4.55 4.01 -0.66 -5.00 117.16 116.31 2k39 n TYR 59 Ca -0.02 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 2k39 n TYR 59 Cb 0.49 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.35 0.00 -4.74 7.72 4.13 -0.13 -4.95 115.26 117.63 2k39 n ASN 60 Ca 0.13 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.98 2k39 n ASN 60 Cb 0.49 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.70 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 -3.10 3.22 0.00 2.41 1.01 -1.02 -4.97 121.20 118.74 2k39 s ILE 61 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.68 2k39 s ILE 61 Cb 0.00 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2k39 s ILE 61 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 174.94 175.11 2k39 n GLN 62 N 2.38 0.21 -1.40 2.79 0.00 -1.26 -4.74 117.38 115.36 2k39 n GLN 62 Ca 0.05 0.00 -0.54 0.00 0.00 0.00 0.00 57.00 56.51 2k39 n GLN 62 Cb 0.43 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.58 2k39 n GLN 62 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2k39 n LYS 63 N 0.00 0.75 -2.26 2.61 -0.00 -1.26 -2.99 118.16 115.00 2k39 n LYS 63 Ca 0.00 0.21 -0.07 0.00 -0.00 0.00 0.00 58.31 58.45 2k39 n LYS 63 Cb 0.00 -2.14 0.00 0.00 -0.00 0.00 0.00 35.03 32.89 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 7.79 -0.93 -2.18 -1.58 1.02 -0.06 -5.01 120.64 119.69 2k39 n GLU 64 Ca 0.44 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.49 2k39 n GLU 64 Cb 0.14 -4.12 -0.03 0.00 -0.02 0.00 0.00 31.44 27.41 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 -2.76 6.79 -0.36 1.62 0.01 -1.16 -4.81 113.70 113.04 2k39 s SER 65 Ca 0.04 2.07 -0.15 0.00 1.31 0.00 0.00 55.95 59.21 2k39 s SER 65 Cb -0.02 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2k39 s SER 65 CO 0.04 -0.82 0.35 -0.89 0.41 0.00 0.00 173.24 172.34 2k39 s THR 66 N 3.31 5.18 0.17 1.44 2.01 -1.26 -1.72 115.64 124.77 2k39 s THR 66 Ca 0.66 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.55 2k39 s THR 66 Cb -0.30 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2k39 s THR 66 CO 0.25 -0.14 0.39 -0.76 -0.69 0.00 0.00 174.62 173.67 2k39 s LEU 67 N 1.98 4.24 -0.07 4.42 1.02 0.02 -4.82 118.68 125.47 2k39 s LEU 67 Ca 0.11 0.54 0.05 0.00 0.02 0.00 0.00 54.13 54.85 2k39 s LEU 67 Cb -0.17 -3.28 -0.01 0.00 0.02 0.00 0.00 46.19 42.75 2k39 s LEU 67 CO 0.12 0.01 -0.23 -2.28 0.02 0.00 0.00 176.35 173.99 2k39 s HIS 68 N -1.74 2.50 -0.24 0.29 2.46 -0.12 -1.61 115.29 116.84 2k39 s HIS 68 Ca 0.40 -0.70 -0.10 0.00 0.47 0.00 0.00 55.06 55.13 2k39 s HIS 68 Cb -0.12 -1.63 -0.05 0.00 -0.13 0.00 0.00 32.58 30.65 2k39 s HIS 68 CO 0.26 -0.20 0.14 -1.17 -2.47 0.00 0.00 174.74 171.30 2k39 s LEU 69 N -0.12 4.02 0.00 8.88 2.96 -1.08 -0.45 118.68 132.89 2k39 s LEU 69 Ca -0.05 0.07 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 2k39 s LEU 69 Cb -0.14 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.47 2k39 s LEU 69 CO 0.04 0.06 0.00 0.55 -1.32 0.00 0.00 176.35 175.68 2k39 n VAL 70 N 4.30 0.00 -3.91 1.68 3.14 0.21 -4.09 118.33 119.65 2k39 n VAL 70 Ca -0.15 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.13 2k39 n VAL 70 Cb 0.52 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 2k39 n VAL 70 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2k39 s LEU 71 N 0.00 0.65 -0.04 6.55 2.34 -1.26 -0.21 118.68 126.71 2k39 s LEU 71 Ca 0.00 -0.78 -0.30 0.00 0.06 0.00 0.00 54.13 53.11 2k39 s LEU 71 Cb 0.00 1.50 -0.06 0.00 -0.56 0.00 0.00 46.19 47.08 2k39 s LEU 71 CO 0.00 -0.97 1.60 -0.60 -1.06 0.00 0.00 176.35 175.33 2k39 s ARG 72 N -3.95 4.20 -0.45 1.48 3.52 -1.26 -4.91 118.95 117.58 2k39 s ARG 72 Ca 0.16 2.14 0.06 0.00 -0.13 0.00 0.00 55.73 57.97 2k39 s ARG 72 Cb 0.02 -3.89 0.41 0.00 -1.56 0.00 0.00 34.95 29.93 2k39 s ARG 72 CO 0.01 -0.80 1.07 1.28 -0.81 0.00 0.00 175.30 176.04 2k39 n LEU 73 N 6.77 4.31 -3.75 -0.88 4.32 -1.26 -4.97 117.00 121.54 2k39 n LEU 73 Ca 0.16 -5.15 -0.13 0.00 -0.02 0.00 0.00 56.01 50.88 2k39 n LEU 73 Cb 0.43 -0.37 -0.14 0.00 -1.62 0.00 0.00 43.42 41.72 2k39 n LEU 73 CO 0.62 2.20 -0.20 -0.60 -1.22 0.00 0.00 177.39 178.19 2k39 s ARG 74 N -3.47 0.13 0.00 3.23 3.52 -1.26 -5.06 118.95 116.04 2k39 s ARG 74 Ca 0.46 0.39 0.08 0.00 -0.13 0.00 0.00 55.73 56.53 2k39 s ARG 74 Cb 0.39 -0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.58 2k39 s ARG 74 CO -0.16 -0.15 0.37 0.41 -0.81 0.00 0.00 175.30 174.97 2k39 n GLY 75 N 4.05 0.18 0.30 8.12 0.00 -1.26 -5.27 105.19 111.31 2k39 n GLY 75 Ca -0.24 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.59 2k39 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93