#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jy6 s GLN 2 N 0.00 2.53 0.20 3.17 -1.52 -1.26 -0.76 119.66 122.02 2jy6 s GLN 2 Ca 0.00 -1.21 -0.03 0.00 -1.95 0.00 0.00 55.36 52.17 2jy6 s GLN 2 Cb 0.00 -2.35 0.01 0.00 -0.22 0.00 0.00 33.01 30.46 2jy6 s GLN 2 CO 0.00 0.40 0.32 0.44 -0.25 0.00 0.00 175.29 176.21 2jy6 n ILE 3 N -0.75 0.00 -4.41 1.08 -5.35 -1.11 -4.76 119.36 104.05 2jy6 n ILE 3 Ca -0.08 -0.88 -0.20 0.00 -0.27 0.00 0.00 62.75 61.33 2jy6 n ILE 3 Cb 0.57 0.60 -0.15 0.00 -1.74 0.00 0.00 39.64 38.92 2jy6 n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2jy6 s PHE 4 N -4.23 0.95 -0.07 4.28 0.08 0.17 -3.86 117.98 115.30 2jy6 s PHE 4 Ca 0.14 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 57.00 2jy6 s PHE 4 Cb -0.01 -0.66 0.01 0.00 -0.57 0.00 0.00 43.02 41.80 2jy6 s PHE 4 CO 0.10 -0.07 -0.12 0.08 -0.10 0.00 0.00 175.22 175.11 2jy6 s VAL 5 N 0.05 1.15 0.44 -0.44 1.01 -0.07 -0.24 120.40 122.30 2jy6 s VAL 5 Ca -0.01 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.54 2jy6 s VAL 5 Cb -0.07 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 2jy6 s VAL 5 CO 0.00 0.36 0.07 -0.54 0.00 0.00 0.00 175.10 174.99 2jy6 s LYS 6 N 0.66 2.09 0.00 2.72 1.02 0.28 0.74 119.74 127.24 2jy6 s LYS 6 Ca -0.15 -2.11 0.00 0.00 0.02 0.00 0.00 55.97 53.73 2jy6 s LYS 6 Cb -0.16 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 2jy6 s LYS 6 CO 0.04 -0.16 0.00 0.25 -0.92 0.00 0.00 175.35 174.56 2jy6 n THR 7 N -1.14 0.00 0.53 2.17 -2.24 -1.26 0.61 114.28 112.96 2jy6 n THR 7 Ca -0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2jy6 n THR 7 Cb 0.66 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.33 2jy6 n THR 7 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jy6 n LEU 8 N 0.00 0.78 0.00 3.22 7.94 -1.16 -4.29 117.00 123.49 2jy6 n LEU 8 Ca 0.00 0.62 -0.05 0.00 -1.11 0.00 0.00 56.01 55.46 2jy6 n LEU 8 Cb 0.00 -0.42 -0.00 0.00 0.53 0.00 0.00 43.42 43.53 2jy6 n LEU 8 CO 0.00 -0.34 0.01 0.35 -1.11 0.00 0.00 177.39 176.30 2jy6 n THR 9 N -2.28 0.00 0.23 1.96 -2.24 -1.26 -5.01 114.28 105.68 2jy6 n THR 9 Ca 0.04 -0.45 -0.05 0.00 -2.27 0.00 0.00 64.05 61.32 2jy6 n THR 9 Cb 0.35 -0.39 0.09 0.00 -2.10 0.00 0.00 70.33 68.28 2jy6 n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jy6 n GLY 10 N 3.64 2.61 3.77 3.38 0.00 -1.26 -4.93 105.19 112.39 2jy6 n GLY 10 Ca -0.01 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 2jy6 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jy6 s LYS 11 N -1.35 3.04 -0.12 1.61 2.20 -1.26 -4.98 119.74 118.88 2jy6 s LYS 11 Ca 0.20 1.48 -0.01 0.00 -0.36 0.00 0.00 55.97 57.29 2jy6 s LYS 11 Cb 0.17 -1.97 0.03 0.00 -1.51 0.00 0.00 37.83 34.54 2jy6 s LYS 11 CO 0.05 -1.07 -0.06 0.99 -0.36 0.00 0.00 175.35 174.89 2jy6 s THR 12 N -2.09 0.98 -0.16 3.43 2.01 -1.26 -4.03 115.64 114.52 2jy6 s THR 12 Ca 0.69 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2jy6 s THR 12 Cb -0.22 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.24 2jy6 s THR 12 CO 0.35 0.29 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.76 2jy6 s ILE 13 N 1.72 2.40 0.15 1.82 1.01 0.23 -4.95 121.20 123.57 2jy6 s ILE 13 Ca 0.04 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.58 2jy6 s ILE 13 Cb -0.13 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.26 2jy6 s ILE 13 CO -0.08 0.53 0.76 0.42 0.00 0.00 0.00 174.94 176.57 2jy6 s THR 14 N 0.90 4.41 -0.10 2.92 -4.23 -1.26 -0.89 115.64 117.39 2jy6 s THR 14 Ca -0.04 1.66 -0.11 0.00 -1.18 0.00 0.00 61.69 62.02 2jy6 s THR 14 Cb -0.15 -4.12 0.03 0.00 1.34 0.00 0.00 72.50 69.60 2jy6 s THR 14 CO -0.02 0.52 0.31 -0.76 -0.54 0.00 0.00 174.62 174.12 2jy6 s LEU 15 N -1.09 0.84 -0.06 4.79 1.43 -1.25 -4.98 118.68 118.36 2jy6 s LEU 15 Ca 0.35 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.81 2jy6 s LEU 15 Cb -0.23 1.09 -0.05 0.00 0.03 0.00 0.00 46.19 47.03 2jy6 s LEU 15 CO 0.26 -0.16 0.47 -0.70 0.23 0.00 0.00 176.35 176.44 2jy6 s GLU 16 N -0.09 4.20 0.11 1.70 2.12 -1.26 -2.76 118.70 122.72 2jy6 s GLU 16 Ca -0.02 0.48 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 2jy6 s GLU 16 Cb -0.03 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 31.02 2jy6 s GLU 16 CO 0.01 0.37 0.17 1.33 -0.54 0.00 0.00 175.26 176.60 2jy6 n VAL 17 N 2.89 0.00 -3.85 3.70 0.24 0.06 -4.98 118.33 116.39 2jy6 n VAL 17 Ca -0.09 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.64 2jy6 n VAL 17 Cb 0.52 0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 2jy6 n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2jy6 s GLU 18 N -2.19 0.82 0.30 7.34 0.41 -1.26 0.78 118.70 124.89 2jy6 s GLU 18 Ca 0.08 -0.88 -0.00 0.00 -0.41 0.00 0.00 54.97 53.76 2jy6 s GLU 18 Cb -0.01 0.33 0.49 0.00 -1.78 0.00 0.00 34.13 33.17 2jy6 s GLU 18 CO 0.06 -0.26 1.92 -1.35 -0.49 0.00 0.00 175.26 175.14 2jy6 h PRO 19 N 2.90 1.04 -0.01 0.39 0.11 -1.97 -0.92 132.00 133.53 2jy6 h PRO 19 Ca -0.34 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2jy6 h PRO 19 Cb 1.20 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2jy6 h PRO 19 CO 0.54 0.69 0.00 -1.13 -0.21 0.00 0.00 178.00 177.89 2jy6 n SER 20 N -4.47 0.09 -4.72 -2.05 3.41 -1.26 -2.39 113.62 102.24 2jy6 n SER 20 Ca 0.13 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 2jy6 n SER 20 Cb 0.15 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 2jy6 n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jy6 s ASP 21 N -1.70 7.32 0.53 4.04 2.15 -0.35 -4.87 116.67 123.79 2jy6 s ASP 21 Ca 0.34 1.82 -0.18 0.00 0.43 0.00 0.00 52.55 54.96 2jy6 s ASP 21 Cb 0.16 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 40.13 2jy6 s ASP 21 CO 0.26 -0.26 1.03 -0.89 -0.17 0.00 0.00 175.17 175.14 2jy6 s THR 22 N 0.63 3.98 0.28 1.71 2.01 -1.26 -1.90 115.64 121.08 2jy6 s THR 22 Ca 0.52 1.06 -0.04 0.00 0.31 0.00 0.00 61.69 63.54 2jy6 s THR 22 Cb -0.24 -3.48 0.25 0.00 0.01 0.00 0.00 72.50 69.03 2jy6 s THR 22 CO 0.30 -0.44 1.94 0.40 -0.69 0.00 0.00 174.62 176.12 2jy6 h ILE 23 N 1.00 1.23 -0.94 1.82 1.08 -0.44 -1.37 117.51 119.90 2jy6 h ILE 23 Ca -0.48 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2jy6 h ILE 23 Cb 1.21 -0.03 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 2jy6 h ILE 23 CO 0.59 0.23 0.59 -0.08 -0.69 0.00 0.00 178.15 178.79 2jy6 h GLU 24 N 1.20 1.26 -0.52 2.37 4.81 -1.71 -0.16 114.58 121.84 2jy6 h GLU 24 Ca 0.32 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 2jy6 h GLU 24 Cb -0.10 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 28.97 2jy6 h GLU 24 CO -0.06 0.87 0.30 -0.91 -0.73 0.00 0.00 179.01 178.47 2jy6 h ASN 25 N 1.29 0.47 -0.29 1.04 4.21 -1.58 -0.84 115.58 119.89 2jy6 h ASN 25 Ca 0.34 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.85 2jy6 h ASN 25 Cb -0.09 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 2jy6 h ASN 25 CO -0.07 0.33 0.14 0.58 -1.29 0.00 0.00 177.43 177.12 2jy6 h VAL 26 N 0.59 1.15 -0.83 2.81 2.07 -0.74 -1.99 116.25 119.31 2jy6 h VAL 26 Ca 0.21 -0.45 0.14 0.00 0.82 0.00 0.00 66.70 67.42 2jy6 h VAL 26 Cb 0.05 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 2jy6 h VAL 26 CO -0.11 0.16 0.43 0.11 0.02 0.00 0.00 177.57 178.18 2jy6 h LYS 27 N 0.33 0.62 -0.56 1.57 1.57 -0.48 0.14 116.57 119.76 2jy6 h LYS 27 Ca 0.10 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2jy6 h LYS 27 Cb 0.13 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2jy6 h LYS 27 CO -0.01 0.41 0.15 0.00 -0.57 0.00 0.00 179.45 179.42 2jy6 h ALA 28 N 1.54 0.73 -0.47 3.86 0.00 -0.82 -0.20 119.26 123.91 2jy6 h ALA 28 Ca 0.45 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2jy6 h ALA 28 Cb 0.60 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2jy6 h ALA 28 CO -0.34 0.43 0.29 0.87 0.00 0.00 0.00 179.25 180.49 2jy6 h LYS 29 N 0.79 0.57 -0.96 0.00 1.57 -0.40 0.18 116.57 118.31 2jy6 h LYS 29 Ca 0.18 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2jy6 h LYS 29 Cb 0.33 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2jy6 h LYS 29 CO 0.00 0.37 0.62 0.82 -0.57 0.00 0.00 179.45 180.70 2jy6 h ILE 30 N 0.58 1.25 -0.63 1.86 2.04 -0.46 0.15 117.51 122.31 2jy6 h ILE 30 Ca 0.18 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2jy6 h ILE 30 Cb -0.02 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 35.89 2jy6 h ILE 30 CO -0.07 0.25 0.18 -0.61 0.00 0.00 0.00 178.15 177.90 2jy6 h GLN 31 N 1.30 0.96 0.05 2.37 4.15 -0.23 0.24 115.11 123.95 2jy6 h GLN 31 Ca 0.35 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2jy6 h GLN 31 Cb -0.13 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.42 2jy6 h GLN 31 CO -0.07 0.84 -0.02 0.22 -1.93 0.00 0.00 178.83 177.86 2jy6 h ASP 32 N 0.93 -0.05 0.52 -0.69 1.82 -0.32 -1.35 116.42 117.28 2jy6 h ASP 32 Ca 0.20 -0.43 -0.03 0.00 -0.39 0.00 0.00 57.03 56.39 2jy6 h ASP 32 Cb 0.29 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.32 2jy6 h ASP 32 CO -0.01 0.41 -0.25 0.11 -1.61 0.00 0.00 179.24 177.90 2jy6 h LYS 33 N -0.53 -0.68 0.00 0.28 1.57 -0.91 -3.40 116.57 112.90 2jy6 h LYS 33 Ca -0.01 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2jy6 h LYS 33 Cb 0.48 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2jy6 h LYS 33 CO 0.01 -0.38 -0.04 0.93 -0.57 0.00 0.00 179.45 179.40 2jy6 h GLU 34 N -1.07 0.00 0.00 3.15 4.39 -0.68 -3.50 114.58 116.87 2jy6 h GLU 34 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2jy6 h GLU 34 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2jy6 h GLU 34 CO 0.12 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.38 2jy6 n GLY 35 N 1.87 0.74 3.19 -3.84 0.00 -0.51 -5.00 105.19 101.64 2jy6 n GLY 35 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2jy6 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jy6 s ILE 36 N -0.82 2.20 0.23 -0.61 1.01 -1.25 -5.00 121.20 116.96 2jy6 s ILE 36 Ca 0.00 -0.93 -0.32 0.00 0.00 0.00 0.00 60.65 59.41 2jy6 s ILE 36 Cb 0.00 -1.89 -0.12 0.00 0.01 0.00 0.00 42.46 40.46 2jy6 s ILE 36 CO 0.00 0.54 1.67 -2.65 0.00 0.00 0.00 174.94 174.50 2jy6 n PRO 37 N 4.11 2.69 0.11 2.79 -0.02 -1.26 -4.07 135.00 139.35 2jy6 n PRO 37 Ca -0.20 0.97 0.20 0.00 -2.02 0.00 0.00 63.50 62.45 2jy6 n PRO 37 Cb 0.51 -2.78 0.72 0.00 -0.02 0.00 0.00 33.50 31.93 2jy6 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jy6 h PRO 38 N 6.02 0.00 0.00 0.52 0.11 -1.93 0.13 132.00 136.84 2jy6 h PRO 38 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2jy6 h PRO 38 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jy6 h PRO 38 CO 0.90 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.16 2jy6 h ASP 39 N 0.00 0.00 -0.03 -2.05 3.32 -1.99 -2.45 116.42 113.21 2jy6 h ASP 39 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2jy6 h ASP 39 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2jy6 h ASP 39 CO -0.00 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 2jy6 n GLN 40 N -3.19 1.65 -3.28 3.56 6.02 0.41 -4.94 117.38 117.62 2jy6 n GLN 40 Ca 0.01 -1.64 -0.38 0.00 -0.01 0.00 0.00 57.00 54.97 2jy6 n GLN 40 Cb 0.39 -1.36 -0.06 0.00 1.02 0.00 0.00 30.24 30.22 2jy6 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2jy6 s GLN 41 N -1.57 4.31 -0.12 -1.09 -0.21 -0.92 -4.67 119.66 115.40 2jy6 s GLN 41 Ca 0.22 0.48 0.00 0.00 0.02 0.00 0.00 55.36 56.08 2jy6 s GLN 41 Cb 0.16 -3.47 0.02 0.00 1.00 0.00 0.00 33.01 30.72 2jy6 s GLN 41 CO 0.24 0.08 -0.10 1.03 -2.12 0.00 0.00 175.29 174.41 2jy6 s ARG 42 N 0.88 1.79 -0.42 2.91 0.52 -1.19 -4.97 118.95 118.46 2jy6 s ARG 42 Ca 0.26 -0.37 -0.12 0.00 -0.52 0.00 0.00 55.73 54.99 2jy6 s ARG 42 Cb -0.15 -1.72 0.06 0.00 0.52 0.00 0.00 34.95 33.66 2jy6 s ARG 42 CO 0.11 -0.21 0.29 -0.51 0.02 0.00 0.00 175.30 175.00 2jy6 s LEU 43 N 1.48 5.19 -0.23 2.53 1.43 -1.26 -0.53 118.68 127.30 2jy6 s LEU 43 Ca 0.02 -1.28 -0.09 0.00 -1.03 0.00 0.00 54.13 51.75 2jy6 s LEU 43 Cb -0.13 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2jy6 s LEU 43 CO -0.07 -0.53 0.11 -0.63 0.23 0.00 0.00 176.35 175.46 2jy6 s ILE 44 N 1.54 4.90 -0.23 -0.59 1.09 0.18 0.39 121.20 128.48 2jy6 s ILE 44 Ca 0.03 0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.61 2jy6 s ILE 44 Cb -0.22 -3.27 0.06 0.00 -1.06 0.00 0.00 42.46 37.97 2jy6 s ILE 44 CO 0.05 0.37 -0.06 0.12 -0.10 0.00 0.00 174.94 175.32 2jy6 s PHE 45 N 1.05 2.36 -1.74 3.97 5.36 0.13 -0.82 117.98 128.29 2jy6 s PHE 45 Ca 0.06 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.32 2jy6 s PHE 45 Cb -0.14 -1.57 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 2jy6 s PHE 45 CO 0.04 -0.76 0.00 0.00 -1.46 0.00 0.00 175.22 173.03 2jy6 n ALA 46 N 4.68 -0.41 -0.29 11.12 0.00 -1.26 -1.50 120.51 132.85 2jy6 n ALA 46 Ca -0.12 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2jy6 n ALA 46 Cb 0.44 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2jy6 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jy6 n GLY 47 N -0.88 0.71 3.35 0.00 0.00 -1.26 -5.06 105.19 102.05 2jy6 n GLY 47 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2jy6 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jy6 s LYS 48 N -0.71 3.05 -0.10 1.61 1.02 -0.56 -5.09 119.74 118.95 2jy6 s LYS 48 Ca 0.00 -0.75 -0.27 0.00 0.02 0.00 0.00 55.97 54.97 2jy6 s LYS 48 Cb 0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 2jy6 s LYS 48 CO 0.00 0.31 0.89 -1.14 -0.92 0.00 0.00 175.35 174.49 2jy6 s GLN 49 N 0.08 4.40 -0.29 1.68 0.74 -1.26 0.22 119.66 125.23 2jy6 s GLN 49 Ca -0.07 1.18 -0.28 0.00 0.05 0.00 0.00 55.36 56.23 2jy6 s GLN 49 Cb -0.15 -3.52 0.01 0.00 1.10 0.00 0.00 33.01 30.45 2jy6 s GLN 49 CO 0.05 -0.21 1.03 -0.51 -0.55 0.00 0.00 175.29 175.10 2jy6 s LEU 50 N 1.69 4.01 0.34 3.68 1.43 0.16 -4.97 118.68 125.02 2jy6 s LEU 50 Ca 0.44 1.12 -0.27 0.00 -1.03 0.00 0.00 54.13 54.38 2jy6 s LEU 50 Cb -0.18 -3.48 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 2jy6 s LEU 50 CO 0.18 -0.77 1.16 -1.61 0.23 0.00 0.00 176.35 175.54 2jy6 s GLU 51 N 3.40 4.35 0.31 1.70 2.02 -1.26 -4.55 118.70 124.66 2jy6 s GLU 51 Ca 0.43 1.88 0.05 0.00 0.02 0.00 0.00 54.97 57.36 2jy6 s GLU 51 Cb -0.13 -2.94 0.70 0.00 0.10 0.00 0.00 34.13 31.85 2jy6 s GLU 51 CO 0.12 -0.08 1.81 -0.44 0.02 0.00 0.00 175.26 176.69 2jy6 h ASP 52 N 3.23 0.81 -0.06 -0.19 5.19 -1.95 -1.31 116.42 122.14 2jy6 h ASP 52 Ca -0.48 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2jy6 h ASP 52 Cb 1.22 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.65 2jy6 h ASP 52 CO 0.65 0.36 0.00 0.61 -3.12 0.00 0.00 179.24 177.74 2jy6 n GLY 53 N -1.36 -0.12 3.84 2.75 0.00 -1.26 -2.31 105.19 106.74 2jy6 n GLY 53 Ca 0.21 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2jy6 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jy6 s ARG 54 N -1.72 2.51 0.44 1.61 1.81 -0.50 -4.94 118.95 118.15 2jy6 s ARG 54 Ca 0.04 -1.54 0.07 0.00 -1.72 0.00 0.00 55.73 52.58 2jy6 s ARG 54 Cb 0.02 -2.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.18 2jy6 s ARG 54 CO 0.02 -0.10 0.29 0.95 -0.68 0.00 0.00 175.30 175.79 2jy6 s THR 55 N -2.46 2.33 -2.00 0.02 -4.23 -1.26 0.02 115.64 108.06 2jy6 s THR 55 Ca 0.45 -1.53 0.25 0.00 -1.18 0.00 0.00 61.69 59.68 2jy6 s THR 55 Cb -0.03 -2.85 0.72 0.00 1.34 0.00 0.00 72.50 71.68 2jy6 s THR 55 CO 0.26 0.00 1.87 0.18 -0.54 0.00 0.00 174.62 176.39 2jy6 n LEU 56 N -1.45 0.00 -0.00 4.79 4.77 -0.80 -2.16 117.00 122.16 2jy6 n LEU 56 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2jy6 n LEU 56 Cb 0.63 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 2jy6 n LEU 56 CO 0.43 0.00 -0.22 -1.54 -1.33 0.00 0.00 177.39 174.74 2jy6 n SER 57 N -0.99 0.97 -0.11 -1.43 3.41 -1.00 -3.92 113.62 110.54 2jy6 n SER 57 Ca 0.19 -0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 58.09 2jy6 n SER 57 Cb 0.09 1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 2jy6 n SER 57 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2jy6 h ASP 58 N 0.00 0.86 -0.30 4.04 3.32 -1.73 -3.05 116.42 119.55 2jy6 h ASP 58 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jy6 h ASP 58 Cb 0.42 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2jy6 h ASP 58 CO 0.00 1.13 0.00 -1.22 -1.72 0.00 0.00 179.24 177.43 2jy6 n TYR 59 N -4.19 1.09 -1.82 4.55 4.02 -1.26 -4.96 117.16 114.59 2jy6 n TYR 59 Ca -0.03 -0.38 -0.01 0.00 -0.01 0.00 0.00 57.90 57.47 2jy6 n TYR 59 Cb 0.48 -0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 39.48 2jy6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jy6 n ASN 60 N 0.33 -4.37 -4.74 7.72 5.15 -1.15 -4.92 115.26 113.28 2jy6 n ASN 60 Ca 0.15 0.88 -0.42 0.00 -0.60 0.00 0.00 54.58 54.59 2jy6 n ASN 60 Cb 0.75 -3.20 -0.02 0.00 -0.53 0.00 0.00 39.78 36.78 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2jy6 s ILE 61 N -0.32 2.28 -0.03 -1.44 1.10 -1.25 -4.97 121.20 116.56 2jy6 s ILE 61 Ca -0.05 0.23 0.03 0.00 -0.51 0.00 0.00 60.65 60.35 2jy6 s ILE 61 Cb 0.00 -3.15 0.00 0.00 0.15 0.00 0.00 42.46 39.47 2jy6 s ILE 61 CO 0.13 0.03 -0.12 -1.58 -2.11 0.00 0.00 174.94 171.30 2jy6 s GLN 62 N -0.23 1.21 0.42 3.50 0.74 -1.26 -5.12 119.66 118.90 2jy6 s GLN 62 Ca 0.63 -0.41 -0.26 0.00 0.05 0.00 0.00 55.36 55.37 2jy6 s GLN 62 Cb -0.46 -1.10 -0.09 0.00 1.10 0.00 0.00 33.01 32.46 2jy6 s GLN 62 CO 0.44 0.16 1.44 -1.59 -0.55 0.00 0.00 175.29 175.19 2jy6 s LYS 63 N 0.11 3.88 -1.16 1.67 0.00 -1.26 -2.95 119.74 120.03 2jy6 s LYS 63 Ca -0.03 2.45 -0.05 0.00 0.00 0.00 0.00 55.97 58.35 2jy6 s LYS 63 Cb -0.09 -2.79 -0.03 0.00 0.00 0.00 0.00 37.83 34.92 2jy6 s LYS 63 CO 0.01 -0.67 0.88 0.39 0.00 0.00 0.00 175.35 175.95 2jy6 n GLU 64 N 0.09 -4.03 -2.10 1.78 1.02 -1.26 -4.89 120.64 111.26 2jy6 n GLU 64 Ca 0.03 0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 2jy6 n GLU 64 Cb 0.41 -5.49 -0.03 0.00 -0.02 0.00 0.00 31.44 26.31 2jy6 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jy6 s SER 65 N -3.91 6.74 -0.57 1.62 0.01 -1.15 -4.87 113.70 111.57 2jy6 s SER 65 Ca 0.22 2.26 -0.05 0.00 1.31 0.00 0.00 55.95 59.68 2jy6 s SER 65 Cb -0.04 -2.56 0.15 0.00 0.21 0.00 0.00 66.02 63.78 2jy6 s SER 65 CO 0.77 -0.80 0.41 -0.89 0.41 0.00 0.00 173.24 173.14 2jy6 s THR 66 N 2.65 3.93 -0.01 1.44 2.01 -1.26 -0.66 115.64 123.75 2jy6 s THR 66 Ca 0.68 -2.49 -0.29 0.00 0.31 0.00 0.00 61.69 59.91 2jy6 s THR 66 Cb -0.35 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2jy6 s THR 66 CO 0.29 -0.84 0.92 -0.76 -0.69 0.00 0.00 174.62 173.54 2jy6 s LEU 67 N 0.49 4.36 -0.30 4.42 1.02 0.67 -4.75 118.68 124.59 2jy6 s LEU 67 Ca 0.13 1.57 -0.07 0.00 0.02 0.00 0.00 54.13 55.77 2jy6 s LEU 67 Cb -0.21 -3.47 0.01 0.00 0.02 0.00 0.00 46.19 42.54 2jy6 s LEU 67 CO -0.04 -0.22 0.09 -1.00 0.02 0.00 0.00 176.35 175.20 2jy6 s HIS 68 N 0.94 3.16 -0.83 0.29 3.76 -0.01 1.00 115.29 123.60 2jy6 s HIS 68 Ca 0.49 -0.92 -0.20 0.00 -0.15 0.00 0.00 55.06 54.27 2jy6 s HIS 68 Cb -0.20 -2.27 0.10 0.00 1.11 0.00 0.00 32.58 31.32 2jy6 s HIS 68 CO 0.26 -0.56 1.07 -1.17 -0.85 0.00 0.00 174.74 173.49 2jy6 s LEU 69 N 1.52 4.73 0.24 0.89 2.96 0.20 0.49 118.68 129.70 2jy6 s LEU 69 Ca 0.03 -1.61 -0.30 0.00 -0.22 0.00 0.00 54.13 52.03 2jy6 s LEU 69 Cb -0.17 -2.41 -0.09 0.00 0.50 0.00 0.00 46.19 44.02 2jy6 s LEU 69 CO 0.03 -1.23 0.97 -0.69 -1.32 0.00 0.00 176.35 174.11 2jy6 s VAL 70 N 3.32 3.99 -0.17 1.68 1.01 0.31 -2.99 120.40 127.55 2jy6 s VAL 70 Ca 0.29 1.98 0.01 0.00 0.00 0.00 0.00 61.98 64.26 2jy6 s VAL 70 Cb -0.10 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.05 2jy6 s VAL 70 CO -0.02 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.65 2jy6 s LEU 71 N -1.15 1.93 -0.20 3.92 1.43 -1.26 -3.16 118.68 120.20 2jy6 s LEU 71 Ca 0.42 -0.63 -0.17 0.00 -1.03 0.00 0.00 54.13 52.72 2jy6 s LEU 71 Cb -0.27 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2jy6 s LEU 71 CO 0.33 -0.07 0.43 -0.60 0.23 0.00 0.00 176.35 176.67 2jy6 s ARG 72 N 1.43 4.18 0.49 1.70 3.52 -1.26 -5.01 118.95 124.00 2jy6 s ARG 72 Ca 0.03 0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.75 2jy6 s ARG 72 Cb -0.14 -3.54 -0.07 0.00 -1.56 0.00 0.00 34.95 29.64 2jy6 s ARG 72 CO -0.10 -0.06 0.92 -0.51 -0.81 0.00 0.00 175.30 174.74 2jy6 s LEU 73 N 1.37 3.65 -0.21 -0.88 1.43 -1.26 -5.01 118.68 117.77 2jy6 s LEU 73 Ca 0.20 1.40 0.10 0.00 -1.03 0.00 0.00 54.13 54.81 2jy6 s LEU 73 Cb -0.15 -4.34 -0.20 0.00 0.03 0.00 0.00 46.19 41.54 2jy6 s LEU 73 CO 0.08 -0.56 -0.06 0.54 0.23 0.00 0.00 176.35 176.59 2jy6 n ARG 74 N -1.63 0.80 -3.88 1.70 5.12 -1.26 -5.03 116.66 112.48 2jy6 n ARG 74 Ca 0.05 0.06 -0.22 0.00 -1.93 0.00 0.00 57.85 55.80 2jy6 n ARG 74 Cb 0.54 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 2jy6 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jy6 n GLY 75 N 2.08 3.69 0.00 -0.13 0.00 -1.26 -5.38 105.19 104.19 2jy6 n GLY 75 Ca -0.36 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.39 2jy6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93