#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 3.01 0.29 3.17 -1.52 -1.26 -0.04 119.66 123.32 2jy6 s GLN 2 Ca 0.00 -0.85 -0.04 0.00 -1.95 0.00 0.00 55.36 52.52 2jy6 s GLN 2 Cb 0.00 -2.69 -0.01 0.00 -0.22 0.00 0.00 33.01 30.09 2jy6 s GLN 2 CO 0.00 0.48 0.41 0.96 -0.25 0.00 0.00 175.29 176.88 2jy6 s ILE 3 N -1.82 0.00 -0.05 1.08 -4.36 -0.53 -0.06 121.20 115.45 2jy6 s ILE 3 Ca 0.32 -1.64 0.06 0.00 -0.26 0.00 0.00 60.65 59.13 2jy6 s ILE 3 Cb -0.10 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.11 2jy6 s ILE 3 CO 0.25 0.00 -0.23 -0.36 0.24 0.00 0.00 174.94 174.84 2jy6 s PHE 4 N -3.51 2.22 -0.22 1.37 0.08 0.10 -3.11 117.98 114.90 2jy6 s PHE 4 Ca 0.30 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2jy6 s PHE 4 Cb 0.01 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 41.05 2jy6 s PHE 4 CO 0.16 -0.20 -0.10 0.08 -0.10 0.00 0.00 175.22 175.07 2jy6 s VAL 5 N -0.11 1.76 -0.16 -0.44 1.01 -0.09 0.20 120.40 122.57 2jy6 s VAL 5 Ca -0.03 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 2jy6 s VAL 5 Cb -0.13 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 2jy6 s VAL 5 CO 0.03 0.08 -0.09 -0.75 0.00 0.00 0.00 175.10 174.37 2jy6 s LYS 6 N 1.32 3.47 0.81 2.72 2.20 0.13 0.36 119.74 130.75 2jy6 s LYS 6 Ca -0.04 -0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 54.85 2jy6 s LYS 6 Cb -0.18 -2.79 0.12 0.00 -1.51 0.00 0.00 37.83 33.48 2jy6 s LYS 6 CO -0.07 0.14 1.14 0.95 -0.36 0.00 0.00 175.35 177.14 2jy6 s THR 7 N 0.59 2.12 0.32 3.43 -4.23 -0.80 -0.76 115.64 116.31 2jy6 s THR 7 Ca -0.05 -0.20 0.33 0.00 -1.18 0.00 0.00 61.69 60.59 2jy6 s THR 7 Cb -0.15 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.13 2jy6 s THR 7 CO 0.03 0.00 2.08 -0.07 -0.54 0.00 0.00 174.62 176.12 2jy6 h LEU 8 N -1.01 0.00 -0.54 4.79 3.38 -1.89 -1.15 115.31 118.88 2jy6 h LEU 8 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2jy6 h LEU 8 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2jy6 h LEU 8 CO 0.50 0.06 0.00 0.71 0.09 0.00 0.00 178.44 179.80 2jy6 h THR 9 N 0.00 0.00 0.00 0.22 1.35 -1.92 -3.47 112.91 109.09 2jy6 h THR 9 Ca -0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 65.05 2jy6 h THR 9 Cb 0.37 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2jy6 h THR 9 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 2jy6 n GLY 10 N 0.71 1.03 3.79 5.82 0.00 -0.44 -5.08 105.19 111.02 2jy6 n GLY 10 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.83 4.12 -0.29 1.61 2.20 -1.26 -4.81 119.74 120.49 2jy6 s LYS 11 Ca 0.00 1.41 0.01 0.00 -0.36 0.00 0.00 55.97 57.02 2jy6 s LYS 11 Cb 0.00 -2.41 0.06 0.00 -1.51 0.00 0.00 37.83 33.97 2jy6 s LYS 11 CO 0.00 -0.16 -0.04 0.99 -0.36 0.00 0.00 175.35 175.79 2jy6 s THR 12 N -1.80 2.60 -0.23 3.43 2.01 -1.26 -1.90 115.64 118.49 2jy6 s THR 12 Ca 0.60 -1.58 -0.08 0.00 0.31 0.00 0.00 61.69 60.95 2jy6 s THR 12 Cb -0.19 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2jy6 s THR 12 CO 0.23 -0.12 0.08 -0.63 -0.69 0.00 0.00 174.62 173.49 2jy6 s ILE 13 N 1.16 4.52 -0.18 1.82 1.01 0.16 -4.94 121.20 124.75 2jy6 s ILE 13 Ca -0.05 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 2jy6 s ILE 13 Cb -0.20 -3.09 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 2jy6 s ILE 13 CO -0.03 0.37 0.71 0.42 0.00 0.00 0.00 174.94 176.40 2jy6 s THR 14 N 1.27 4.97 0.08 2.92 -4.23 -1.26 -0.91 115.64 118.48 2jy6 s THR 14 Ca 0.05 1.37 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 2jy6 s THR 14 Cb -0.15 -4.02 -0.03 0.00 1.34 0.00 0.00 72.50 69.64 2jy6 s THR 14 CO 0.04 0.09 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.34 2jy6 s LEU 15 N 1.93 2.36 -0.10 4.79 1.43 -1.18 -5.01 118.68 122.90 2jy6 s LEU 15 Ca 0.33 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2jy6 s LEU 15 Cb -0.16 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2jy6 s LEU 15 CO 0.11 -0.23 -0.04 -0.70 0.23 0.00 0.00 176.35 175.73 2jy6 s GLU 16 N -2.46 3.09 0.02 1.70 2.12 -1.26 -1.46 118.70 120.45 2jy6 s GLU 16 Ca 0.02 -0.50 -0.00 0.00 0.36 0.00 0.00 54.97 54.85 2jy6 s GLU 16 Cb -0.05 -2.75 0.00 0.00 0.26 0.00 0.00 34.13 31.59 2jy6 s GLU 16 CO 0.00 0.56 0.03 1.33 -0.54 0.00 0.00 175.26 176.63 2jy6 n VAL 17 N 2.57 0.00 -3.84 3.70 0.24 0.95 -4.97 118.33 116.98 2jy6 n VAL 17 Ca -0.18 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 61.92 2jy6 n VAL 17 Cb 0.53 0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.89 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 -2.05 0.81 0.35 7.34 0.41 -1.26 0.85 118.70 125.15 2jy6 s GLU 18 Ca 0.02 -0.85 0.09 0.00 -0.41 0.00 0.00 54.97 53.81 2jy6 s GLU 18 Cb -0.00 0.33 0.82 0.00 -1.78 0.00 0.00 34.13 33.50 2jy6 s GLU 18 CO 0.01 -0.25 1.85 -1.35 -0.49 0.00 0.00 175.26 175.02 2jy6 h PRO 19 N 2.93 0.68 -0.12 0.39 0.11 -1.92 0.77 132.00 134.84 2jy6 h PRO 19 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2jy6 h PRO 19 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jy6 h PRO 19 CO 0.54 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 2jy6 n SER 20 N -4.60 0.88 -4.76 -2.05 3.41 -1.26 -0.94 113.62 104.31 2jy6 n SER 20 Ca 0.19 -1.73 -0.40 0.00 -0.26 0.00 0.00 58.87 56.67 2jy6 n SER 20 Cb 0.51 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.35 7.34 0.33 4.04 2.15 0.26 -4.80 116.67 124.64 2jy6 s ASP 21 Ca 0.23 2.20 -0.20 0.00 0.43 0.00 0.00 52.55 55.21 2jy6 s ASP 21 Cb 0.12 -2.62 -0.10 0.00 -0.30 0.00 0.00 42.92 40.02 2jy6 s ASP 21 CO 0.18 -0.08 0.84 -0.89 -0.17 0.00 0.00 175.17 175.04 2jy6 s THR 22 N -1.14 4.47 0.18 1.71 2.01 -1.26 -0.54 115.64 121.07 2jy6 s THR 22 Ca 0.44 1.37 -0.14 0.00 0.31 0.00 0.00 61.69 63.68 2jy6 s THR 22 Cb -0.31 -3.75 0.07 0.00 0.01 0.00 0.00 72.50 68.52 2jy6 s THR 22 CO 0.39 -0.06 1.78 0.40 -0.69 0.00 0.00 174.62 176.43 2jy6 h ILE 23 N 2.26 0.93 -0.23 1.82 1.08 -0.87 -0.98 117.51 121.52 2jy6 h ILE 23 Ca -0.48 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 63.79 2jy6 h ILE 23 Cb 1.18 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 2jy6 h ILE 23 CO 0.64 0.08 -0.08 -0.08 -0.69 0.00 0.00 178.15 178.02 2jy6 h GLU 24 N 0.44 0.36 -0.65 2.37 4.81 -1.77 -2.15 114.58 118.00 2jy6 h GLU 24 Ca 0.21 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2jy6 h GLU 24 Cb 0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2jy6 h GLU 24 CO -0.17 0.46 0.19 -0.97 -0.73 0.00 0.00 179.01 177.79 2jy6 h ASN 25 N 0.35 0.94 -0.42 1.04 -1.24 -1.54 -1.86 115.58 112.86 2jy6 h ASN 25 Ca 0.07 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 56.87 2jy6 h ASN 25 Cb 0.37 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 2jy6 h ASN 25 CO 0.02 0.89 0.10 0.58 -1.29 0.00 0.00 177.43 177.73 2jy6 h VAL 26 N 0.97 1.23 -0.92 2.57 2.07 -0.69 -2.57 116.25 118.91 2jy6 h VAL 26 Ca 0.21 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 67.06 2jy6 h VAL 26 Cb 0.30 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 2jy6 h VAL 26 CO -0.01 0.28 0.59 0.11 0.02 0.00 0.00 177.57 178.56 2jy6 h LYS 27 N 0.54 0.81 -0.75 1.57 1.57 -0.96 -0.22 116.57 119.12 2jy6 h LYS 27 Ca 0.13 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2jy6 h LYS 27 Cb 0.31 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2jy6 h LYS 27 CO 0.00 0.54 0.31 0.00 -0.57 0.00 0.00 179.45 179.72 2jy6 h ALA 28 N 1.57 0.97 -0.49 3.86 0.00 -0.96 0.96 119.26 125.18 2jy6 h ALA 28 Ca 0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jy6 h ALA 28 Cb 0.56 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jy6 h ALA 28 CO -0.21 0.59 0.28 0.87 0.00 0.00 0.00 179.25 180.78 2jy6 h LYS 29 N 1.08 0.66 -0.88 0.00 1.57 -0.80 -0.76 116.57 117.45 2jy6 h LYS 29 Ca 0.25 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2jy6 h LYS 29 Cb 0.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2jy6 h LYS 29 CO -0.02 0.50 0.51 0.82 -0.57 0.00 0.00 179.45 180.68 2jy6 h ILE 30 N 0.65 1.25 -0.29 1.86 2.04 -0.65 -0.53 117.51 121.83 2jy6 h ILE 30 Ca 0.17 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 2jy6 h ILE 30 Cb 0.01 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 2jy6 h ILE 30 CO -0.03 0.27 0.12 -0.61 0.00 0.00 0.00 178.15 177.90 2jy6 h GLN 31 N 1.22 0.40 -0.08 2.37 4.15 -0.20 0.33 115.11 123.31 2jy6 h GLN 31 Ca 0.31 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 2jy6 h GLN 31 Cb -0.01 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2jy6 h GLN 31 CO -0.05 0.34 -0.30 0.22 -1.93 0.00 0.00 178.83 177.10 2jy6 h ASP 32 N 0.41 0.40 0.37 -0.69 3.58 -0.25 -1.27 116.42 118.97 2jy6 h ASP 32 Ca 0.10 -0.63 -0.02 0.00 0.42 0.00 0.00 57.03 56.90 2jy6 h ASP 32 Cb 0.09 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2jy6 h ASP 32 CO -0.01 0.97 -0.18 0.11 -2.88 0.00 0.00 179.24 177.25 2jy6 h LYS 33 N -0.14 -0.48 0.00 0.28 1.57 -0.70 -3.40 116.57 113.70 2jy6 h LYS 33 Ca -0.02 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jy6 h LYS 33 Cb 0.94 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2jy6 h LYS 33 CO 0.06 -0.17 -0.36 0.93 -0.57 0.00 0.00 179.45 179.35 2jy6 h GLU 34 N -0.94 0.00 0.00 3.15 4.39 -0.51 -3.50 114.58 117.18 2jy6 h GLU 34 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jy6 h GLU 34 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2jy6 h GLU 34 CO 0.08 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.34 2jy6 n GLY 35 N 1.67 0.98 3.69 -3.84 0.00 -0.48 -5.01 105.19 102.20 2jy6 n GLY 35 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.73 3.62 0.44 -0.61 1.01 -1.26 -4.91 121.20 118.77 2jy6 s ILE 36 Ca 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 2jy6 s ILE 36 Cb 0.00 -3.66 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 2jy6 s ILE 36 CO 0.00 0.00 1.37 -2.84 0.00 0.00 0.00 174.94 173.47 2jy6 s PRO 37 N 2.35 3.73 0.61 2.79 0.02 -1.26 -3.97 135.00 139.27 2jy6 s PRO 37 Ca 0.65 2.29 0.29 0.00 0.02 0.00 0.00 61.00 64.25 2jy6 s PRO 37 Cb -0.33 -2.64 1.59 0.00 0.02 0.00 0.00 34.50 33.14 2jy6 s PRO 37 CO 0.27 -0.73 1.97 -1.35 -0.33 0.00 0.00 177.00 176.83 2jy6 h PRO 38 N 2.35 0.00 0.00 5.54 0.11 -1.93 0.60 132.00 138.67 2jy6 h PRO 38 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 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 0.61 0.00 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.85 2jy6 h ASP 39 N 0.00 0.00 -0.16 -2.05 3.32 -1.98 -2.56 116.42 112.99 2jy6 h ASP 39 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2jy6 h ASP 39 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2jy6 h ASP 39 CO -0.00 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 2jy6 n GLN 40 N -3.18 2.40 -3.98 3.56 6.02 0.18 -4.94 117.38 117.45 2jy6 n GLN 40 Ca 0.02 -2.07 -0.35 0.00 -0.01 0.00 0.00 57.00 54.59 2jy6 n GLN 40 Cb 0.45 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 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 -1.82 3.32 -0.04 -1.09 -0.21 -0.97 -4.34 119.66 114.52 2jy6 s GLN 41 Ca 0.32 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.41 2jy6 s GLN 41 Cb 0.21 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 31.19 2jy6 s GLN 41 CO 0.31 0.71 -0.05 1.03 -2.12 0.00 0.00 175.29 175.16 2jy6 s ARG 42 N -1.51 0.82 -0.25 2.91 0.52 -0.44 -4.97 118.95 116.03 2jy6 s ARG 42 Ca 0.21 -0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.22 2jy6 s ARG 42 Cb -0.12 -0.81 -0.01 0.00 0.52 0.00 0.00 34.95 34.53 2jy6 s ARG 42 CO 0.11 -0.04 0.04 -0.51 0.02 0.00 0.00 175.30 174.92 2jy6 s LEU 43 N 0.73 3.38 -0.17 2.53 1.43 -1.26 0.55 118.68 125.87 2jy6 s LEU 43 Ca -0.10 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 2jy6 s LEU 43 Cb -0.13 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2jy6 s LEU 43 CO 0.00 -0.07 -0.07 -0.63 0.23 0.00 0.00 176.35 175.82 2jy6 s ILE 44 N 1.55 3.46 -0.04 -0.59 1.09 0.92 -0.03 121.20 127.56 2jy6 s ILE 44 Ca 0.05 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.11 2jy6 s ILE 44 Cb -0.15 -2.52 0.02 0.00 -1.06 0.00 0.00 42.46 38.75 2jy6 s ILE 44 CO 0.01 0.48 -0.02 0.12 -0.10 0.00 0.00 174.94 175.43 2jy6 s PHE 45 N 0.70 0.55 -1.97 3.97 5.36 0.93 -0.52 117.98 127.00 2jy6 s PHE 45 Ca -0.03 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 2jy6 s PHE 45 Cb -0.15 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.97 2jy6 s PHE 45 CO 0.02 -0.17 0.00 0.00 -1.46 0.00 0.00 175.22 173.61 2jy6 n ALA 46 N 4.18 -0.30 -0.28 11.12 0.00 -1.26 -1.42 120.51 132.55 2jy6 n ALA 46 Ca -0.24 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2jy6 n ALA 46 Cb 0.51 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.69 0.67 3.39 0.00 0.00 -1.26 -5.06 105.19 102.24 2jy6 n GLY 47 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.69 1.41 0.23 1.61 1.02 -0.50 -5.11 119.74 117.71 2jy6 s LYS 48 Ca 0.00 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 2jy6 s LYS 48 Cb 0.00 -1.78 -0.09 0.00 -0.52 0.00 0.00 37.83 35.44 2jy6 s LYS 48 CO 0.00 0.40 0.85 -1.14 -0.92 0.00 0.00 175.35 174.54 2jy6 s GLN 49 N -2.36 4.59 0.03 1.68 0.74 -1.26 -0.05 119.66 123.04 2jy6 s GLN 49 Ca 0.16 1.24 -0.04 0.00 0.05 0.00 0.00 55.36 56.77 2jy6 s GLN 49 Cb -0.09 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 2jy6 s GLN 49 CO 0.07 0.46 0.25 -0.51 -0.55 0.00 0.00 175.29 175.02 2jy6 s LEU 50 N -1.52 4.35 0.07 3.68 1.43 0.95 -4.91 118.68 122.73 2jy6 s LEU 50 Ca 0.42 0.46 -0.17 0.00 -1.03 0.00 0.00 54.13 53.81 2jy6 s LEU 50 Cb -0.22 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 2jy6 s LEU 50 CO 0.26 0.21 0.52 -1.61 0.23 0.00 0.00 176.35 175.96 2jy6 s GLU 51 N -2.08 4.07 0.20 1.70 0.41 -1.26 -4.63 118.70 117.12 2jy6 s GLU 51 Ca 0.31 0.59 -0.09 0.00 -0.41 0.00 0.00 54.97 55.37 2jy6 s GLU 51 Cb -0.13 -3.16 0.14 0.00 -1.78 0.00 0.00 34.13 29.20 2jy6 s GLU 51 CO 0.20 0.61 1.79 -0.44 -0.49 0.00 0.00 175.26 176.94 2jy6 h ASP 52 N 4.33 0.98 -0.25 -0.19 5.19 -1.98 -3.03 116.42 121.47 2jy6 h ASP 52 Ca -0.50 -0.13 -0.23 0.00 -0.62 0.00 0.00 57.03 55.55 2jy6 h ASP 52 Cb 1.21 -0.25 -0.09 0.00 0.18 0.00 0.00 39.33 40.38 2jy6 h ASP 52 CO 0.63 0.84 -0.12 0.61 -3.12 0.00 0.00 179.24 178.08 2jy6 n GLY 53 N -0.98 3.27 3.16 2.75 0.00 -1.26 -2.86 105.19 109.27 2jy6 n GLY 53 Ca 0.06 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 0.11 0.86 0.32 1.61 1.81 -1.14 -5.05 118.95 117.47 2jy6 s ARG 54 Ca 0.52 -1.31 0.08 0.00 -1.72 0.00 0.00 55.73 53.31 2jy6 s ARG 54 Cb 0.28 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 35.00 2jy6 s ARG 54 CO -0.05 -0.24 0.20 0.95 -0.68 0.00 0.00 175.30 175.48 2jy6 s THR 55 N -3.99 3.45 -0.43 0.02 -4.23 -1.26 -0.44 115.64 108.76 2jy6 s THR 55 Ca 0.17 -1.55 0.24 0.00 -1.18 0.00 0.00 61.69 59.37 2jy6 s THR 55 Cb 0.07 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 71.05 2jy6 s THR 55 CO -0.03 -0.22 1.71 0.18 -0.54 0.00 0.00 174.62 175.73 2jy6 n LEU 56 N -1.22 0.68 0.15 4.79 4.77 0.30 -1.47 117.00 125.00 2jy6 n LEU 56 Ca -0.03 0.68 0.04 0.00 -0.03 0.00 0.00 56.01 56.67 2jy6 n LEU 56 Cb 0.60 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 2jy6 n LEU 56 CO 0.43 -0.62 0.48 0.77 -1.33 0.00 0.00 177.39 177.11 2jy6 h SER 57 N 0.00 0.00 -0.13 -1.43 4.64 -1.29 0.19 113.55 115.54 2jy6 h SER 57 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2jy6 h SER 57 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2jy6 h SER 57 CO 0.00 0.43 -0.09 0.44 -0.87 0.00 0.00 176.83 176.74 2jy6 h ASP 58 N 0.00 0.29 -0.11 4.97 3.32 -1.55 -2.94 116.42 120.40 2jy6 h ASP 58 Ca -0.01 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2jy6 h ASP 58 Cb 1.34 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2jy6 h ASP 58 CO 0.05 0.67 0.00 -1.22 -1.72 0.00 0.00 179.24 177.03 2jy6 n TYR 59 N -4.65 0.14 -3.30 4.55 4.01 -1.23 -4.95 117.16 111.74 2jy6 n TYR 59 Ca -0.06 -0.07 -0.15 0.00 -0.16 0.00 0.00 57.90 57.46 2jy6 n TYR 59 Cb 0.31 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.39 2jy6 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jy6 n ASN 60 N 0.16 -6.62 -4.67 7.72 2.85 -1.02 -4.93 115.26 108.75 2jy6 n ASN 60 Ca 0.17 -0.65 -0.43 0.00 -0.11 0.00 0.00 54.58 53.56 2jy6 n ASN 60 Cb 0.31 -4.87 -0.02 0.00 1.24 0.00 0.00 39.78 36.44 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2jy6 s ILE 61 N -3.32 4.69 0.56 -1.44 -1.09 0.65 -5.02 121.20 116.22 2jy6 s ILE 61 Ca 0.37 2.00 0.05 0.00 -2.23 0.00 0.00 60.65 60.84 2jy6 s ILE 61 Cb -0.07 -4.28 0.06 0.00 -1.58 0.00 0.00 42.46 36.59 2jy6 s ILE 61 CO 0.76 -0.08 0.77 -1.10 -1.23 0.00 0.00 174.94 174.07 2jy6 s GLN 62 N 2.58 2.37 0.22 2.79 1.11 -1.26 -4.87 119.66 122.59 2jy6 s GLN 62 Ca 0.47 -1.23 -0.31 0.00 0.01 0.00 0.00 55.36 54.30 2jy6 s GLN 62 Cb -0.17 -2.58 -0.11 0.00 -1.01 0.00 0.00 33.01 29.14 2jy6 s GLN 62 CO 0.13 -0.79 1.56 0.21 0.01 0.00 0.00 175.29 176.41 2jy6 s LYS 63 N -4.70 4.20 -1.11 2.91 2.20 -1.26 -2.81 119.74 119.17 2jy6 s LYS 63 Ca 0.60 2.42 -0.06 0.00 -0.36 0.00 0.00 55.97 58.57 2jy6 s LYS 63 Cb -0.08 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 2jy6 s LYS 63 CO 0.38 -0.58 0.97 0.39 -0.36 0.00 0.00 175.35 176.15 2jy6 n GLU 64 N 3.16 -6.51 -2.71 4.03 1.02 0.91 -4.99 120.64 115.55 2jy6 n GLU 64 Ca 0.11 0.70 -0.35 0.00 -0.02 0.00 0.00 57.16 57.59 2jy6 n GLU 64 Cb 0.38 -5.33 -0.06 0.00 -0.02 0.00 0.00 31.44 26.42 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 -3.41 6.98 -0.58 1.62 0.01 -1.12 -4.64 113.70 112.56 2jy6 s SER 65 Ca 0.41 1.86 -0.19 0.00 1.31 0.00 0.00 55.95 59.34 2jy6 s SER 65 Cb -0.18 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.57 2jy6 s SER 65 CO 0.61 -0.33 0.71 -0.89 0.41 0.00 0.00 173.24 173.75 2jy6 s THR 66 N -1.82 4.78 -0.15 1.44 2.01 -1.26 -0.72 115.64 119.92 2jy6 s THR 66 Ca 0.57 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.63 2jy6 s THR 66 Cb -0.17 -4.47 -0.05 0.00 0.01 0.00 0.00 72.50 67.83 2jy6 s THR 66 CO 0.21 -1.08 0.27 -0.76 -0.69 0.00 0.00 174.62 172.57 2jy6 s LEU 67 N 2.81 4.27 -0.30 4.42 1.02 0.13 -4.67 118.68 126.37 2jy6 s LEU 67 Ca 0.13 0.50 -0.10 0.00 0.02 0.00 0.00 54.13 54.69 2jy6 s LEU 67 Cb -0.22 -2.33 -0.02 0.00 0.02 0.00 0.00 46.19 43.64 2jy6 s LEU 67 CO 0.08 0.15 0.16 -1.00 0.02 0.00 0.00 176.35 175.76 2jy6 s HIS 68 N 0.20 3.18 -0.29 0.29 3.76 0.33 0.22 115.29 122.98 2jy6 s HIS 68 Ca 0.16 -0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 54.54 2jy6 s HIS 68 Cb -0.13 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 2jy6 s HIS 68 CO 0.04 -0.35 0.67 -1.17 -0.85 0.00 0.00 174.74 173.08 2jy6 s LEU 69 N 1.67 4.11 -0.14 0.89 2.96 0.06 -0.05 118.68 128.17 2jy6 s LEU 69 Ca 0.06 0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 2jy6 s LEU 69 Cb -0.16 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 2jy6 s LEU 69 CO 0.08 -0.48 0.10 -0.69 -1.32 0.00 0.00 176.35 174.03 2jy6 s VAL 70 N 2.67 5.12 -0.20 1.68 1.01 0.19 -2.95 120.40 127.91 2jy6 s VAL 70 Ca 0.27 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.34 2jy6 s VAL 70 Cb -0.15 -3.25 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2jy6 s VAL 70 CO 0.11 0.55 -0.12 -0.76 0.00 0.00 0.00 175.10 174.89 2jy6 s LEU 71 N -0.48 2.40 -0.12 3.92 1.43 -1.26 -1.33 118.68 123.24 2jy6 s LEU 71 Ca 0.11 -0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 52.12 2jy6 s LEU 71 Cb -0.12 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2jy6 s LEU 71 CO 0.02 -0.13 0.47 -0.60 0.23 0.00 0.00 176.35 176.34 2jy6 s ARG 72 N 1.34 4.33 -0.13 1.70 6.06 -1.26 -5.06 118.95 125.93 2jy6 s ARG 72 Ca -0.01 0.43 -0.12 0.00 -2.50 0.00 0.00 55.73 53.53 2jy6 s ARG 72 Cb -0.16 -3.44 -0.05 0.00 0.06 0.00 0.00 34.95 31.36 2jy6 s ARG 72 CO -0.08 0.14 0.24 -0.51 -2.50 0.00 0.00 175.30 172.59 2jy6 s LEU 73 N 0.67 4.31 0.20 -0.88 1.43 -1.26 -4.97 118.68 118.18 2jy6 s LEU 73 Ca 0.25 0.52 0.19 0.00 -1.03 0.00 0.00 54.13 54.07 2jy6 s LEU 73 Cb -0.15 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.80 2jy6 s LEU 73 CO 0.10 0.23 1.12 0.03 0.23 0.00 0.00 176.35 178.06 2jy6 h ARG 74 N 5.91 0.00 -6.40 1.70 2.47 -2.03 -3.46 114.38 112.56 2jy6 h ARG 74 Ca -0.46 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.74 2jy6 h ARG 74 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2jy6 h ARG 74 CO 0.69 0.20 -0.17 0.20 0.56 0.00 0.00 179.97 181.45 2jy6 s GLY 75 N -4.51 1.94 0.00 0.04 0.00 -1.26 -5.39 107.32 98.15 2jy6 s GLY 75 Ca 0.01 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.88 2jy6 s GLY 75 CO 0.77 -1.77 0.00 0.61 0.00 0.00 0.00 173.10 172.71