#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 3.66 0.10 3.17 -1.52 -1.26 -4.78 119.66 119.03 2jy6 s GLN 2 Ca 0.00 -0.01 -0.14 0.00 -1.95 0.00 0.00 55.36 53.26 2jy6 s GLN 2 Cb 0.00 -2.85 0.02 0.00 -0.22 0.00 0.00 33.01 29.97 2jy6 s GLN 2 CO 0.00 0.46 0.33 0.96 -0.25 0.00 0.00 175.29 176.79 2jy6 s ILE 3 N -1.64 0.09 -0.03 1.08 -4.36 -1.26 0.49 121.20 115.57 2jy6 s ILE 3 Ca 0.41 -0.76 0.05 0.00 -0.26 0.00 0.00 60.65 60.08 2jy6 s ILE 3 Cb -0.12 -1.19 -0.01 0.00 1.25 0.00 0.00 42.46 42.39 2jy6 s ILE 3 CO 0.23 -0.42 -0.17 -0.36 0.24 0.00 0.00 174.94 174.46 2jy6 s PHE 4 N -3.66 1.59 -0.18 1.37 0.08 0.25 -4.31 117.98 113.12 2jy6 s PHE 4 Ca 0.03 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2jy6 s PHE 4 Cb 0.02 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.44 2jy6 s PHE 4 CO -0.11 -0.10 -0.19 0.08 -0.10 0.00 0.00 175.22 174.80 2jy6 s VAL 5 N -0.15 2.05 -0.16 -0.44 1.01 -0.56 0.65 120.40 122.80 2jy6 s VAL 5 Ca 0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2jy6 s VAL 5 Cb -0.09 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 2jy6 s VAL 5 CO 0.01 0.50 -0.14 -0.54 0.00 0.00 0.00 175.10 174.92 2jy6 s LYS 6 N 1.29 3.22 0.96 2.72 1.02 0.10 -0.16 119.74 128.89 2jy6 s LYS 6 Ca 0.04 -0.74 -0.16 0.00 0.02 0.00 0.00 55.97 55.13 2jy6 s LYS 6 Cb -0.13 -2.66 0.20 0.00 -0.52 0.00 0.00 37.83 34.71 2jy6 s LYS 6 CO -0.12 -0.03 1.32 0.95 -0.92 0.00 0.00 175.35 176.55 2jy6 s THR 7 N 0.93 2.00 0.27 2.17 -4.23 -0.63 -0.08 115.64 116.07 2jy6 s THR 7 Ca -0.03 -0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.42 2jy6 s THR 7 Cb -0.15 -2.98 0.22 0.00 1.34 0.00 0.00 72.50 70.93 2jy6 s THR 7 CO -0.02 0.00 1.90 0.25 -0.54 0.00 0.00 174.62 176.21 2jy6 h LEU 8 N -1.62 0.99 -1.24 4.79 5.85 -1.65 -1.15 115.31 121.27 2jy6 h LEU 8 Ca -0.44 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 2jy6 h LEU 8 Cb 1.23 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2jy6 h LEU 8 CO 0.37 0.79 -0.24 0.74 -0.34 0.00 0.00 178.44 179.76 2jy6 h THR 9 N 1.12 0.63 0.00 1.05 2.02 -1.93 -3.46 112.91 112.33 2jy6 h THR 9 Ca 0.28 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2jy6 h THR 9 Cb 0.01 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2jy6 h THR 9 CO -0.05 0.23 0.00 0.61 0.37 0.00 0.00 175.52 176.68 2jy6 n GLY 10 N -0.01 1.41 3.83 2.16 0.00 -0.43 -5.11 105.19 107.04 2jy6 n GLY 10 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.06 3.64 -0.15 1.61 2.20 -1.26 -4.74 119.74 120.97 2jy6 s LYS 11 Ca 0.00 1.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 2jy6 s LYS 11 Cb 0.00 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 34.23 2jy6 s LYS 11 CO 0.00 -0.54 -0.16 0.99 -0.36 0.00 0.00 175.35 175.29 2jy6 s THR 12 N -2.66 2.64 -0.08 3.43 2.01 -1.26 -1.61 115.64 118.13 2jy6 s THR 12 Ca 0.60 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.82 2jy6 s THR 12 Cb -0.12 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.30 2jy6 s THR 12 CO 0.37 0.52 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.12 2jy6 s ILE 13 N 0.77 0.84 0.02 1.82 1.01 0.78 -4.97 121.20 121.46 2jy6 s ILE 13 Ca -0.06 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 2jy6 s ILE 13 Cb -0.15 -0.85 -0.06 0.00 0.01 0.00 0.00 42.46 41.41 2jy6 s ILE 13 CO 0.01 0.31 0.53 -0.89 0.00 0.00 0.00 174.94 174.90 2jy6 s THR 14 N 1.25 4.89 0.27 2.92 2.01 -1.26 -1.49 115.64 124.23 2jy6 s THR 14 Ca -0.05 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.09 2jy6 s THR 14 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2jy6 s THR 14 CO -0.02 0.50 0.24 -0.76 -0.69 0.00 0.00 174.62 173.89 2jy6 s LEU 15 N -0.66 1.36 -0.04 4.42 1.43 -1.26 -5.02 118.68 118.91 2jy6 s LEU 15 Ca 0.28 -1.54 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 2jy6 s LEU 15 Cb -0.18 0.62 0.01 0.00 0.03 0.00 0.00 46.19 46.67 2jy6 s LEU 15 CO 0.16 -0.99 -0.09 -0.70 0.23 0.00 0.00 176.35 174.97 2jy6 s GLU 16 N -3.74 1.06 0.09 1.70 2.12 -1.26 -4.47 118.70 114.19 2jy6 s GLU 16 Ca 0.38 -0.28 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 2jy6 s GLU 16 Cb 0.04 -0.97 0.08 0.00 0.26 0.00 0.00 34.13 33.54 2jy6 s GLU 16 CO 0.19 0.06 0.67 0.14 -0.54 0.00 0.00 175.26 175.78 2jy6 s VAL 17 N 0.43 0.00 0.13 3.70 -7.23 -1.26 -5.10 120.40 111.07 2jy6 s VAL 17 Ca -0.07 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.12 2jy6 s VAL 17 Cb -0.11 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2jy6 s VAL 17 CO 0.01 0.00 0.24 -1.61 -0.31 0.00 0.00 175.10 173.43 2jy6 s GLU 18 N -3.14 3.33 0.55 4.82 0.41 -1.26 -4.69 118.70 118.71 2jy6 s GLU 18 Ca -0.00 -0.61 0.37 0.00 -0.41 0.00 0.00 54.97 54.31 2jy6 s GLU 18 Cb -0.01 -2.92 1.96 0.00 -1.78 0.00 0.00 34.13 31.38 2jy6 s GLU 18 CO -0.08 0.54 2.13 -1.35 -0.49 0.00 0.00 175.26 176.00 2jy6 h PRO 19 N 2.43 0.00 -0.01 0.39 0.11 -1.97 0.11 132.00 133.06 2jy6 h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jy6 h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jy6 h PRO 19 CO 0.69 0.00 -0.11 -1.13 -0.21 0.00 0.00 178.00 177.24 2jy6 n SER 20 N -2.83 1.19 -4.80 -2.05 3.41 -1.26 -2.03 113.62 105.25 2jy6 n SER 20 Ca -0.02 -1.18 -0.33 0.00 -0.26 0.00 0.00 58.87 57.08 2jy6 n SER 20 Cb 0.09 0.05 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2jy6 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jy6 s ASP 21 N -2.23 5.94 0.39 4.04 1.11 0.02 -4.81 116.67 121.12 2jy6 s ASP 21 Ca 0.32 1.82 -0.02 0.00 0.18 0.00 0.00 52.55 54.86 2jy6 s ASP 21 Cb 0.20 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.62 2jy6 s ASP 21 CO 0.42 -1.06 0.62 0.42 1.18 0.00 0.00 175.17 176.75 2jy6 s THR 22 N -2.37 5.04 0.23 -1.27 -4.23 -1.26 -1.41 115.64 110.36 2jy6 s THR 22 Ca 0.64 -0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.85 2jy6 s THR 22 Cb -0.16 -3.86 0.20 0.00 1.34 0.00 0.00 72.50 70.03 2jy6 s THR 22 CO 0.33 -0.64 1.86 0.40 -0.54 0.00 0.00 174.62 176.03 2jy6 h ILE 23 N 0.62 1.26 -0.36 2.99 1.08 -0.93 -1.69 117.51 120.48 2jy6 h ILE 23 Ca -0.49 -0.63 -0.05 0.00 -0.39 0.00 0.00 64.86 63.30 2jy6 h ILE 23 Cb 1.21 0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 2jy6 h ILE 23 CO 0.62 0.29 -0.00 -0.08 -0.69 0.00 0.00 178.15 178.28 2jy6 h GLU 24 N 1.24 0.56 -0.76 2.37 4.81 -1.76 -1.67 114.58 119.38 2jy6 h GLU 24 Ca 0.31 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2jy6 h GLU 24 Cb 0.02 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 2jy6 h GLU 24 CO -0.05 0.59 0.46 -0.91 -0.73 0.00 0.00 179.01 178.36 2jy6 h ASN 25 N 0.54 0.90 -0.26 1.04 4.21 -1.64 -1.10 115.58 119.28 2jy6 h ASN 25 Ca 0.11 -0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.55 2jy6 h ASN 25 Cb 0.35 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2jy6 h ASN 25 CO 0.01 0.70 0.09 0.58 -1.29 0.00 0.00 177.43 177.52 2jy6 h VAL 26 N 1.03 1.19 -0.87 2.81 2.07 -0.91 -2.55 116.25 119.02 2jy6 h VAL 26 Ca 0.27 -0.59 0.15 0.00 0.82 0.00 0.00 66.70 67.35 2jy6 h VAL 26 Cb -0.05 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2jy6 h VAL 26 CO -0.05 0.19 0.56 0.11 0.02 0.00 0.00 177.57 178.41 2jy6 h LYS 27 N 0.26 0.60 -0.34 1.57 1.57 -0.81 -0.82 116.57 118.60 2jy6 h LYS 27 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2jy6 h LYS 27 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jy6 h LYS 27 CO -0.00 0.40 0.08 0.00 -0.57 0.00 0.00 179.45 179.35 2jy6 h ALA 28 N 1.61 0.44 -0.53 3.86 0.00 -0.81 0.20 119.26 124.04 2jy6 h ALA 28 Ca 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jy6 h ALA 28 Cb 0.79 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jy6 h ALA 28 CO -0.19 0.12 0.35 0.87 0.00 0.00 0.00 179.25 180.39 2jy6 h LYS 29 N 0.39 0.69 -0.79 0.00 1.57 -0.91 -0.33 116.57 117.19 2jy6 h LYS 29 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2jy6 h LYS 29 Cb 0.31 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2jy6 h LYS 29 CO 0.00 0.45 0.44 0.82 -0.57 0.00 0.00 179.45 180.60 2jy6 h ILE 30 N 0.71 1.23 -0.69 1.86 2.04 -0.99 0.87 117.51 122.54 2jy6 h ILE 30 Ca 0.20 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2jy6 h ILE 30 Cb -0.07 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 2jy6 h ILE 30 CO -0.05 0.26 0.36 -0.61 0.00 0.00 0.00 178.15 178.11 2jy6 h GLN 31 N 1.09 0.97 -0.16 2.37 4.15 -0.31 0.25 115.11 123.47 2jy6 h GLN 31 Ca 0.28 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 2jy6 h GLN 31 Cb 0.02 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.52 2jy6 h GLN 31 CO -0.05 0.73 -0.30 0.22 -1.93 0.00 0.00 178.83 177.50 2jy6 h ASP 32 N 0.97 0.54 0.31 -0.69 3.58 -0.46 -1.76 116.42 118.92 2jy6 h ASP 32 Ca 0.24 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 57.13 2jy6 h ASP 32 Cb 0.06 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2jy6 h ASP 32 CO -0.04 0.99 -0.15 0.11 -2.88 0.00 0.00 179.24 177.27 2jy6 h LYS 33 N 0.11 -0.41 0.03 0.28 1.57 -0.57 -3.41 116.57 114.18 2jy6 h LYS 33 Ca 0.01 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jy6 h LYS 33 Cb 0.89 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2jy6 h LYS 33 CO 0.07 -0.27 -0.02 0.93 -0.57 0.00 0.00 179.45 179.59 2jy6 h GLU 34 N -0.71 -0.04 0.00 3.15 4.39 -0.66 -3.49 114.58 117.21 2jy6 h GLU 34 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jy6 h GLU 34 Cb 0.32 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2jy6 h GLU 34 CO 0.07 -0.03 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 2jy6 n GLY 35 N 1.68 1.66 3.70 -3.84 0.00 -0.66 -5.02 105.19 102.71 2jy6 n GLY 35 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.70 5.23 0.30 -0.61 1.01 -1.26 -5.00 121.20 119.17 2jy6 s ILE 36 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 2jy6 s ILE 36 Cb 0.00 -3.72 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 2jy6 s ILE 36 CO 0.00 0.32 1.44 -2.65 0.00 0.00 0.00 174.94 174.05 2jy6 n PRO 37 N 3.96 2.33 0.11 2.79 -0.02 -1.26 -4.18 135.00 138.73 2jy6 n PRO 37 Ca -0.09 0.82 0.19 0.00 -2.02 0.00 0.00 63.50 62.41 2jy6 n PRO 37 Cb 0.51 -2.51 0.76 0.00 -0.02 0.00 0.00 33.50 32.25 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 3.82 0.00 0.00 0.52 0.11 -1.94 0.11 132.00 134.62 2jy6 h PRO 38 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2jy6 h PRO 38 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2jy6 h PRO 38 CO 0.72 0.00 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.03 2jy6 h ASP 39 N 0.00 0.00 -0.01 -2.05 5.19 -1.99 -2.32 116.42 115.24 2jy6 h ASP 39 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2jy6 h ASP 39 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2jy6 h ASP 39 CO -0.00 0.04 -0.30 0.00 -3.12 0.00 0.00 179.24 175.86 2jy6 n GLN 40 N -3.15 1.59 -3.53 3.56 6.02 0.35 -4.93 117.38 117.30 2jy6 n GLN 40 Ca 0.01 -1.30 -0.38 0.00 -0.01 0.00 0.00 57.00 55.32 2jy6 n GLN 40 Cb 0.35 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.08 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 -2.31 3.96 -0.04 -1.09 -0.21 -0.87 -2.68 119.66 116.42 2jy6 s GLN 41 Ca 0.22 0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.93 2jy6 s GLN 41 Cb 0.19 -3.27 0.02 0.00 1.00 0.00 0.00 33.01 30.95 2jy6 s GLN 41 CO 0.47 0.58 -0.03 1.03 -2.12 0.00 0.00 175.29 175.22 2jy6 s ARG 42 N -0.67 0.63 -0.33 2.91 0.52 -0.08 -4.98 118.95 116.94 2jy6 s ARG 42 Ca 0.22 -0.06 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 2jy6 s ARG 42 Cb -0.15 -0.68 0.01 0.00 0.52 0.00 0.00 34.95 34.65 2jy6 s ARG 42 CO 0.11 -0.08 0.14 -0.51 0.02 0.00 0.00 175.30 174.98 2jy6 s LEU 43 N 0.84 4.23 -0.21 2.53 1.43 -1.26 -0.12 118.68 126.13 2jy6 s LEU 43 Ca -0.10 -0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 2jy6 s LEU 43 Cb -0.13 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2jy6 s LEU 43 CO -0.00 -0.27 0.01 -0.63 0.23 0.00 0.00 176.35 175.69 2jy6 s ILE 44 N 1.53 4.03 -0.21 -0.59 1.09 0.12 -0.18 121.20 126.99 2jy6 s ILE 44 Ca 0.02 -0.28 -0.00 0.00 -1.10 0.00 0.00 60.65 59.29 2jy6 s ILE 44 Cb -0.18 -2.84 0.05 0.00 -1.06 0.00 0.00 42.46 38.44 2jy6 s ILE 44 CO 0.05 0.41 -0.04 0.12 -0.10 0.00 0.00 174.94 175.38 2jy6 s PHE 45 N 1.10 2.03 -1.41 3.97 5.36 0.13 -1.94 117.98 127.22 2jy6 s PHE 45 Ca 0.03 -1.45 -0.05 0.00 -0.96 0.00 0.00 56.93 54.50 2jy6 s PHE 45 Cb -0.14 -1.44 0.01 0.00 -0.34 0.00 0.00 43.02 41.10 2jy6 s PHE 45 CO 0.02 -0.71 0.62 0.00 -1.46 0.00 0.00 175.22 173.69 2jy6 n ALA 46 N 4.78 -0.93 0.00 11.12 0.00 -1.26 -1.79 120.51 132.43 2jy6 n ALA 46 Ca -0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2jy6 n ALA 46 Cb 0.46 -3.81 0.00 0.00 0.00 0.00 0.00 19.45 16.09 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 -1.52 2.96 3.81 0.00 0.00 -1.26 -5.00 105.19 104.18 2jy6 n GLY 47 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.20 4.27 -0.09 1.61 1.02 -0.74 -5.02 119.74 120.59 2jy6 s LYS 48 Ca 0.00 0.96 -0.15 0.00 0.02 0.00 0.00 55.97 56.80 2jy6 s LYS 48 Cb 0.00 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2jy6 s LYS 48 CO 0.00 0.28 0.37 -1.14 -0.92 0.00 0.00 175.35 173.94 2jy6 s GLN 49 N -2.32 4.11 -0.15 1.68 0.74 -1.26 0.20 119.66 122.66 2jy6 s GLN 49 Ca 0.49 0.28 -0.21 0.00 0.05 0.00 0.00 55.36 55.96 2jy6 s GLN 49 Cb -0.15 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 2jy6 s GLN 49 CO 0.20 0.41 0.61 -0.51 -0.55 0.00 0.00 175.29 175.45 2jy6 s LEU 50 N -0.12 4.21 0.24 3.68 1.43 0.75 -4.96 118.68 123.92 2jy6 s LEU 50 Ca 0.21 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 2jy6 s LEU 50 Cb -0.15 -2.89 -0.09 0.00 0.03 0.00 0.00 46.19 43.09 2jy6 s LEU 50 CO 0.09 -0.18 1.15 -1.61 0.23 0.00 0.00 176.35 176.03 2jy6 s GLU 51 N 1.36 4.56 0.30 1.70 2.02 -1.26 -4.58 118.70 122.81 2jy6 s GLU 51 Ca 0.30 1.85 0.03 0.00 0.02 0.00 0.00 54.97 57.17 2jy6 s GLU 51 Cb -0.16 -3.21 0.60 0.00 0.10 0.00 0.00 34.13 31.46 2jy6 s GLU 51 CO 0.12 0.06 1.87 -0.44 0.02 0.00 0.00 175.26 176.88 2jy6 h ASP 52 N 4.44 0.87 -0.26 -0.19 5.19 -1.96 -1.35 116.42 123.16 2jy6 h ASP 52 Ca -0.46 0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 55.92 2jy6 h ASP 52 Cb 1.21 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 40.54 2jy6 h ASP 52 CO 0.70 0.49 0.08 0.61 -3.12 0.00 0.00 179.24 178.00 2jy6 n GLY 53 N -1.38 2.34 3.67 2.75 0.00 -1.26 -2.67 105.19 108.64 2jy6 n GLY 53 Ca 0.17 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.50 2.09 0.37 1.61 1.81 -0.51 -4.99 118.95 117.83 2jy6 s ARG 54 Ca 0.20 -1.92 0.08 0.00 -1.72 0.00 0.00 55.73 52.37 2jy6 s ARG 54 Cb 0.16 -1.85 -0.03 0.00 -0.45 0.00 0.00 34.95 32.78 2jy6 s ARG 54 CO 0.05 -0.04 0.24 0.95 -0.68 0.00 0.00 175.30 175.83 2jy6 s THR 55 N -2.62 2.97 -1.05 0.02 -4.23 -1.26 -0.57 115.64 108.90 2jy6 s THR 55 Ca 0.38 -1.53 0.16 0.00 -1.18 0.00 0.00 61.69 59.52 2jy6 s THR 55 Cb 0.05 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 71.01 2jy6 s THR 55 CO 0.20 -0.11 1.52 0.18 -0.54 0.00 0.00 174.62 175.87 2jy6 n LEU 56 N -1.31 0.00 0.06 4.79 4.77 -0.50 -1.89 117.00 122.92 2jy6 n LEU 56 Ca -0.01 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.56 2jy6 n LEU 56 Cb 0.61 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2jy6 n LEU 56 CO 0.43 -0.21 -0.06 -1.54 -1.33 0.00 0.00 177.39 174.69 2jy6 n SER 57 N -1.47 0.65 -0.18 -1.43 3.41 -0.86 -1.66 113.62 112.07 2jy6 n SER 57 Ca 0.04 0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.67 2jy6 n SER 57 Cb 0.18 0.73 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 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 1.00 -0.41 4.04 3.32 -1.69 -3.01 116.42 119.67 2jy6 h ASP 58 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2jy6 h ASP 58 Cb 0.90 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.18 2jy6 h ASP 58 CO 0.00 1.11 0.00 -1.22 -1.72 0.00 0.00 179.24 177.41 2jy6 n TYR 59 N -4.18 0.53 -2.33 4.55 4.02 -1.25 -5.03 117.16 113.46 2jy6 n TYR 59 Ca 0.01 -0.28 -0.03 0.00 -0.01 0.00 0.00 57.90 57.59 2jy6 n TYR 59 Cb 0.39 -0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.69 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 1.42 -3.02 -4.65 7.72 5.15 -1.14 -4.98 115.26 115.77 2jy6 n ASN 60 Ca 0.19 1.01 -0.39 0.00 -0.60 0.00 0.00 54.58 54.79 2jy6 n ASN 60 Cb 0.59 -4.14 -0.07 0.00 -0.53 0.00 0.00 39.78 35.62 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 -0.77 5.16 0.20 -1.44 1.10 -0.67 -5.00 121.20 119.78 2jy6 s ILE 61 Ca -0.13 0.77 0.01 0.00 -0.51 0.00 0.00 60.65 60.79 2jy6 s ILE 61 Cb 0.01 -3.76 -0.04 0.00 0.15 0.00 0.00 42.46 38.82 2jy6 s ILE 61 CO 0.58 0.20 0.37 0.00 -2.11 0.00 0.00 174.94 173.98 2jy6 s GLN 62 N 1.60 3.48 0.38 3.50 0.00 -1.26 -5.03 119.66 122.34 2jy6 s GLN 62 Ca 0.20 -0.47 -0.26 0.00 -0.00 0.00 0.00 55.36 54.83 2jy6 s GLN 62 Cb -0.15 -2.87 -0.09 0.00 0.00 0.00 0.00 33.01 29.90 2jy6 s GLN 62 CO 0.09 0.42 1.14 -1.59 0.00 0.00 0.00 175.29 175.35 2jy6 s LYS 63 N -3.47 4.17 -1.13 9.60 -2.85 -1.26 -3.28 119.74 121.52 2jy6 s LYS 63 Ca 0.37 1.79 -0.06 0.00 -1.00 0.00 0.00 55.97 57.07 2jy6 s LYS 63 Cb -0.11 -2.74 0.01 0.00 -2.06 0.00 0.00 37.83 32.93 2jy6 s LYS 63 CO 0.29 -0.20 0.78 0.39 0.10 0.00 0.00 175.35 176.71 2jy6 n GLU 64 N 0.24 -5.48 -2.62 1.78 4.71 0.18 -4.99 120.64 114.45 2jy6 n GLU 64 Ca 0.03 0.68 -0.26 0.00 -0.01 0.00 0.00 57.16 57.60 2jy6 n GLU 64 Cb 0.47 -5.18 0.02 0.00 -1.01 0.00 0.00 31.44 25.73 2jy6 n GLU 64 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2jy6 s SER 65 N -3.09 5.87 -0.45 1.62 1.04 -1.21 -4.83 113.70 112.66 2jy6 s SER 65 Ca 0.39 0.68 -0.04 0.00 0.48 0.00 0.00 55.95 57.46 2jy6 s SER 65 Cb -0.17 -1.85 0.12 0.00 0.10 0.00 0.00 66.02 64.22 2jy6 s SER 65 CO 0.48 -0.82 0.27 -0.89 0.98 0.00 0.00 173.24 173.26 2jy6 s THR 66 N -2.81 3.54 -0.17 2.02 2.01 -1.26 -0.58 115.64 118.40 2jy6 s THR 66 Ca 0.50 -2.13 -0.29 0.00 0.31 0.00 0.00 61.69 60.08 2jy6 s THR 66 Cb -0.10 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 2jy6 s THR 66 CO 0.43 -0.74 1.00 -0.76 -0.69 0.00 0.00 174.62 173.87 2jy6 s LEU 67 N 1.01 4.18 -0.40 4.42 1.43 0.21 -4.84 118.68 124.69 2jy6 s LEU 67 Ca 0.09 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.48 2jy6 s LEU 67 Cb -0.23 -3.52 0.01 0.00 0.03 0.00 0.00 46.19 42.49 2jy6 s LEU 67 CO -0.03 -0.54 0.28 -1.00 0.23 0.00 0.00 176.35 175.29 2jy6 s HIS 68 N 2.54 3.24 -0.53 0.29 3.76 -0.82 0.02 115.29 123.79 2jy6 s HIS 68 Ca 0.45 -0.56 -0.18 0.00 -0.15 0.00 0.00 55.06 54.63 2jy6 s HIS 68 Cb -0.17 -2.56 0.08 0.00 1.11 0.00 0.00 32.58 31.05 2jy6 s HIS 68 CO 0.12 -0.56 0.58 -1.17 -0.85 0.00 0.00 174.74 172.86 2jy6 s LEU 69 N 1.68 5.40 0.16 0.89 2.96 0.88 0.10 118.68 130.75 2jy6 s LEU 69 Ca 0.05 -1.27 -0.16 0.00 -0.22 0.00 0.00 54.13 52.53 2jy6 s LEU 69 Cb -0.19 -2.31 -0.07 0.00 0.50 0.00 0.00 46.19 44.12 2jy6 s LEU 69 CO 0.10 -0.89 0.60 -0.69 -1.32 0.00 0.00 176.35 174.14 2jy6 s VAL 70 N 2.28 4.77 -0.06 1.68 1.01 0.83 -1.61 120.40 129.30 2jy6 s VAL 70 Ca 0.10 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.09 2jy6 s VAL 70 Cb -0.23 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2jy6 s VAL 70 CO 0.08 0.26 -0.15 -0.76 0.00 0.00 0.00 175.10 174.53 2jy6 s LEU 71 N -1.89 2.70 -0.31 3.92 1.43 -1.26 -0.91 118.68 122.37 2jy6 s LEU 71 Ca 0.38 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 2jy6 s LEU 71 Cb -0.16 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 2jy6 s LEU 71 CO 0.20 0.32 0.42 -0.60 0.23 0.00 0.00 176.35 176.92 2jy6 s ARG 72 N -0.60 3.81 0.19 1.70 3.00 -1.09 -5.00 118.95 120.95 2jy6 s ARG 72 Ca 0.09 -0.10 -0.15 0.00 -1.00 0.00 0.00 55.73 54.57 2jy6 s ARG 72 Cb -0.11 -3.73 -0.07 0.00 0.00 0.00 0.00 34.95 31.03 2jy6 s ARG 72 CO 0.01 -0.44 0.60 -0.51 0.00 0.00 0.00 175.30 174.96 2jy6 s LEU 73 N 2.16 4.29 -0.23 -0.88 1.43 -1.26 -4.93 118.68 119.26 2jy6 s LEU 73 Ca 0.16 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 2jy6 s LEU 73 Cb -0.16 -3.46 -0.15 0.00 0.03 0.00 0.00 46.19 42.46 2jy6 s LEU 73 CO 0.11 0.04 -0.20 0.54 0.23 0.00 0.00 176.35 177.07 2jy6 n ARG 74 N 0.56 0.57 0.00 1.70 5.12 -1.26 -5.03 116.66 118.32 2jy6 n ARG 74 Ca -0.03 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2jy6 n ARG 74 Cb 0.52 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 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 2.41 2.04 0.00 -0.13 0.00 -1.26 -5.37 105.19 102.88 2jy6 n GLY 75 Ca -0.40 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2jy6 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93