#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 3.29 0.30 3.17 -1.52 -1.26 -0.83 119.66 122.81 2jy6 s GLN 2 Ca 0.00 -0.66 -0.05 0.00 -1.95 0.00 0.00 55.36 52.69 2jy6 s GLN 2 Cb 0.00 -2.88 -0.00 0.00 -0.22 0.00 0.00 33.01 29.90 2jy6 s GLN 2 CO 0.00 0.51 0.44 0.96 -0.25 0.00 0.00 175.29 176.95 2jy6 s ILE 3 N -1.73 0.00 -0.02 1.08 -4.36 -0.87 -2.72 121.20 112.57 2jy6 s ILE 3 Ca 0.34 -1.59 0.06 0.00 -0.26 0.00 0.00 60.65 59.19 2jy6 s ILE 3 Cb -0.11 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 2jy6 s ILE 3 CO 0.27 0.00 -0.18 -0.36 0.24 0.00 0.00 174.94 174.91 2jy6 s PHE 4 N -3.45 1.67 -0.08 1.37 0.08 0.38 -3.54 117.98 114.42 2jy6 s PHE 4 Ca 0.29 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.02 2jy6 s PHE 4 Cb 0.00 -1.08 0.01 0.00 -0.57 0.00 0.00 43.02 41.38 2jy6 s PHE 4 CO 0.16 -0.05 -0.13 0.08 -0.10 0.00 0.00 175.22 175.19 2jy6 s VAL 5 N -0.37 1.23 -0.08 -0.44 1.01 -0.74 -0.12 120.40 120.89 2jy6 s VAL 5 Ca 0.06 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.56 2jy6 s VAL 5 Cb -0.08 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.18 2jy6 s VAL 5 CO -0.00 0.38 -0.17 -0.54 0.00 0.00 0.00 175.10 174.77 2jy6 s LYS 6 N 0.86 2.23 0.95 2.72 1.02 0.14 0.09 119.74 127.76 2jy6 s LYS 6 Ca -0.10 -0.60 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 2jy6 s LYS 6 Cb -0.15 -1.76 0.20 0.00 -0.52 0.00 0.00 37.83 35.59 2jy6 s LYS 6 CO 0.01 0.08 1.31 0.95 -0.92 0.00 0.00 175.35 176.79 2jy6 s THR 7 N 0.54 2.01 0.50 2.17 -4.23 -0.57 0.01 115.64 116.06 2jy6 s THR 7 Ca -0.16 -0.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.52 2jy6 s THR 7 Cb -0.17 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 70.96 2jy6 s THR 7 CO 0.06 0.00 2.12 0.25 -0.54 0.00 0.00 174.62 176.50 2jy6 h LEU 8 N -1.60 0.00 0.10 4.79 5.85 -1.34 -2.56 115.31 120.56 2jy6 h LEU 8 Ca -0.44 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.11 2jy6 h LEU 8 Cb 1.24 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.28 2jy6 h LEU 8 CO 0.38 0.07 -0.73 0.71 -0.34 0.00 0.00 178.44 178.53 2jy6 h THR 9 N 0.00 1.50 0.00 1.05 1.35 -1.92 -3.48 112.91 111.41 2jy6 h THR 9 Ca -0.00 -2.41 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 2jy6 h THR 9 Cb 0.14 3.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2jy6 h THR 9 CO 0.01 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 2jy6 n GLY 10 N 1.51 -0.43 3.77 5.82 0.00 -0.96 -5.14 105.19 109.75 2jy6 n GLY 10 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 3.28 -0.15 1.61 2.20 -1.26 -4.72 119.74 120.70 2jy6 s LYS 11 Ca 0.00 1.67 0.02 0.00 -0.36 0.00 0.00 55.97 57.30 2jy6 s LYS 11 Cb 0.00 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 2jy6 s LYS 11 CO 0.00 -0.92 -0.20 0.99 -0.36 0.00 0.00 175.35 174.85 2jy6 s THR 12 N -1.71 1.98 -0.12 3.43 2.01 -1.25 -1.52 115.64 118.45 2jy6 s THR 12 Ca 0.74 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2jy6 s THR 12 Cb -0.26 -1.77 0.01 0.00 0.01 0.00 0.00 72.50 70.49 2jy6 s THR 12 CO 0.29 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.94 2jy6 s ILE 13 N 1.04 1.76 -0.09 1.82 1.01 0.11 -4.97 121.20 121.89 2jy6 s ILE 13 Ca -0.02 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.59 2jy6 s ILE 13 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 2jy6 s ILE 13 CO -0.06 0.49 0.73 -0.89 0.00 0.00 0.00 174.94 175.21 2jy6 s THR 14 N 0.91 5.01 0.05 2.92 2.01 -1.26 -1.79 115.64 123.49 2jy6 s THR 14 Ca -0.07 1.50 -0.00 0.00 0.31 0.00 0.00 61.69 63.43 2jy6 s THR 14 Cb -0.15 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 2jy6 s THR 14 CO -0.02 0.20 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.31 2jy6 s LEU 15 N 1.10 2.43 -0.09 4.42 1.43 -1.23 -5.03 118.68 121.71 2jy6 s LEU 15 Ca 0.38 -0.87 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2jy6 s LEU 15 Cb -0.18 0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 2jy6 s LEU 15 CO 0.17 -0.49 -0.11 -0.70 0.23 0.00 0.00 176.35 175.46 2jy6 s GLU 16 N -3.24 2.93 0.35 1.70 2.12 -1.26 -2.06 118.70 119.24 2jy6 s GLU 16 Ca 0.02 -0.63 -0.02 0.00 0.36 0.00 0.00 54.97 54.70 2jy6 s GLU 16 Cb 0.03 -2.57 0.01 0.00 0.26 0.00 0.00 34.13 31.86 2jy6 s GLU 16 CO -0.07 0.49 0.49 1.33 -0.54 0.00 0.00 175.26 176.96 2jy6 n VAL 17 N 2.73 0.00 -4.39 3.70 0.24 -0.01 -4.96 118.33 115.64 2jy6 n VAL 17 Ca -0.18 -1.74 -0.23 0.00 -2.04 0.00 0.00 64.34 60.16 2jy6 n VAL 17 Cb 0.53 1.08 -0.11 0.00 -1.47 0.00 0.00 33.84 33.87 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 -2.77 1.43 0.36 7.34 0.41 -1.26 0.43 118.70 124.63 2jy6 s GLU 18 Ca 0.28 -1.56 0.05 0.00 -0.41 0.00 0.00 54.97 53.34 2jy6 s GLU 18 Cb -0.01 -1.49 0.72 0.00 -1.78 0.00 0.00 34.13 31.58 2jy6 s GLU 18 CO 0.20 0.29 1.97 -1.35 -0.49 0.00 0.00 175.26 175.89 2jy6 h PRO 19 N 2.85 0.75 -0.64 0.39 0.11 -1.97 -0.96 132.00 132.53 2jy6 h PRO 19 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jy6 h PRO 19 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jy6 h PRO 19 CO 0.55 0.49 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 2jy6 n SER 20 N -4.47 4.19 -4.73 -2.05 3.41 -1.26 -2.44 113.62 106.27 2jy6 n SER 20 Ca 0.10 -2.49 -0.41 0.00 -0.26 0.00 0.00 58.87 55.80 2jy6 n SER 20 Cb 0.19 -0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 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 -0.74 7.35 0.41 4.04 2.15 -0.37 -4.81 116.67 124.70 2jy6 s ASP 21 Ca 0.41 1.93 -0.23 0.00 0.43 0.00 0.00 52.55 55.10 2jy6 s ASP 21 Cb 0.29 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 40.22 2jy6 s ASP 21 CO 0.17 -0.18 1.03 -0.89 -0.17 0.00 0.00 175.17 175.12 2jy6 s THR 22 N 0.06 3.85 0.25 1.71 2.01 -1.26 -1.72 115.64 120.54 2jy6 s THR 22 Ca 0.49 1.36 -0.03 0.00 0.31 0.00 0.00 61.69 63.83 2jy6 s THR 22 Cb -0.26 -3.68 0.23 0.00 0.01 0.00 0.00 72.50 68.80 2jy6 s THR 22 CO 0.32 -0.05 1.81 0.40 -0.69 0.00 0.00 174.62 176.41 2jy6 h ILE 23 N 2.12 0.89 -0.83 1.82 1.08 -0.61 -0.89 117.51 121.09 2jy6 h ILE 23 Ca -0.48 -0.28 0.06 0.00 -0.39 0.00 0.00 64.86 63.77 2jy6 h ILE 23 Cb 1.21 0.02 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 2jy6 h ILE 23 CO 0.62 0.15 0.51 -0.08 -0.69 0.00 0.00 178.15 178.66 2jy6 h GLU 24 N 0.81 0.90 -0.76 2.37 4.81 -1.74 -0.65 114.58 120.32 2jy6 h GLU 24 Ca 0.42 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 2jy6 h GLU 24 Cb 0.41 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2jy6 h GLU 24 CO -0.26 0.60 0.49 -0.91 -0.73 0.00 0.00 179.01 178.20 2jy6 h ASN 25 N 0.93 0.82 -0.11 1.04 2.35 -1.49 -0.70 115.58 118.42 2jy6 h ASN 25 Ca 0.37 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.10 2jy6 h ASN 25 Cb 0.18 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2jy6 h ASN 25 CO -0.18 0.58 0.05 0.58 -1.65 0.00 0.00 177.43 176.81 2jy6 h VAL 26 N 0.97 1.14 -0.97 2.81 2.07 -0.86 -2.08 116.25 119.34 2jy6 h VAL 26 Ca 0.29 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.50 2jy6 h VAL 26 Cb -0.04 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 2jy6 h VAL 26 CO -0.09 0.13 0.62 0.11 0.02 0.00 0.00 177.57 178.35 2jy6 h LYS 27 N 0.03 0.94 -0.50 1.57 1.57 -0.67 0.65 116.57 120.15 2jy6 h LYS 27 Ca 0.04 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2jy6 h LYS 27 Cb 0.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2jy6 h LYS 27 CO -0.00 0.62 0.11 0.00 -0.57 0.00 0.00 179.45 179.61 2jy6 h ALA 28 N 1.54 0.65 -0.34 3.86 0.00 -0.85 -0.14 119.26 123.98 2jy6 h ALA 28 Ca 0.46 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jy6 h ALA 28 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2jy6 h ALA 28 CO -0.22 0.35 0.22 0.87 0.00 0.00 0.00 179.25 180.47 2jy6 h LYS 29 N 0.68 0.43 -1.00 0.00 1.57 -0.51 -0.69 116.57 117.05 2jy6 h LYS 29 Ca 0.15 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2jy6 h LYS 29 Cb 0.34 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 2jy6 h LYS 29 CO 0.00 0.29 0.66 0.82 -0.57 0.00 0.00 179.45 180.64 2jy6 h ILE 30 N 0.45 1.20 -0.30 1.86 2.04 -0.65 -1.07 117.51 121.04 2jy6 h ILE 30 Ca 0.13 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2jy6 h ILE 30 Cb -0.04 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 35.82 2jy6 h ILE 30 CO -0.04 0.24 -0.04 -0.61 0.00 0.00 0.00 178.15 177.69 2jy6 h GLN 31 N 1.29 0.47 -0.20 2.37 4.15 -0.40 0.33 115.11 123.12 2jy6 h GLN 31 Ca 0.39 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.65 2jy6 h GLN 31 Cb -0.05 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2jy6 h GLN 31 CO -0.11 0.53 -0.08 0.22 -1.93 0.00 0.00 178.83 177.46 2jy6 h ASP 32 N 0.45 0.42 0.40 -0.69 3.58 -0.05 -0.28 116.42 120.25 2jy6 h ASP 32 Ca 0.09 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.13 2jy6 h ASP 32 Cb 0.36 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2jy6 h ASP 32 CO 0.02 0.72 -0.19 0.11 -2.88 0.00 0.00 179.24 177.01 2jy6 h LYS 33 N 0.12 -0.52 0.00 0.28 1.57 -0.95 -3.40 116.57 113.66 2jy6 h LYS 33 Ca 0.05 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2jy6 h LYS 33 Cb 0.55 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2jy6 h LYS 33 CO 0.03 -0.35 -0.07 0.93 -0.57 0.00 0.00 179.45 179.41 2jy6 h GLU 34 N -1.10 0.00 0.00 3.15 4.39 -0.49 -3.49 114.58 117.04 2jy6 h GLU 34 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2jy6 h GLU 34 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2jy6 h GLU 34 CO 0.09 0.44 0.00 0.41 -1.16 0.00 0.00 179.01 178.79 2jy6 n GLY 35 N 1.69 1.11 3.68 -3.84 0.00 -0.11 -5.02 105.19 102.70 2jy6 n GLY 35 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 4.29 0.31 -0.61 1.01 -1.26 -4.96 121.20 117.98 2jy6 s ILE 36 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 60.65 61.96 2jy6 s ILE 36 Cb 0.00 -4.03 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 2jy6 s ILE 36 CO 0.00 -0.03 1.40 -2.65 0.00 0.00 0.00 174.94 173.65 2jy6 n PRO 37 N 5.51 2.27 0.12 2.79 -0.02 -1.26 -4.19 135.00 140.22 2jy6 n PRO 37 Ca 0.11 0.80 0.18 0.00 -2.02 0.00 0.00 63.50 62.58 2jy6 n PRO 37 Cb 0.46 -2.45 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 3.39 0.00 0.00 0.52 0.11 -1.94 0.11 132.00 134.19 2jy6 h PRO 38 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jy6 h PRO 38 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2jy6 h PRO 38 CO 0.69 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.04 2jy6 h ASP 39 N 0.00 0.00 -0.09 -2.05 3.32 -1.99 -2.57 116.42 113.04 2jy6 h ASP 39 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2jy6 h ASP 39 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2jy6 h ASP 39 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2jy6 n GLN 40 N -2.47 1.22 -3.39 3.56 6.02 0.35 -4.94 117.38 117.73 2jy6 n GLN 40 Ca 0.02 -1.45 -0.39 0.00 -0.01 0.00 0.00 57.00 55.17 2jy6 n GLN 40 Cb 0.30 -1.27 -0.09 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.08 3.95 -0.13 -1.09 -0.21 -0.97 -4.72 119.66 115.41 2jy6 s GLN 41 Ca 0.18 -0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.55 2jy6 s GLN 41 Cb 0.12 -3.68 -0.00 0.00 1.00 0.00 0.00 33.01 30.45 2jy6 s GLN 41 CO 0.17 -0.32 -0.19 1.03 -2.12 0.00 0.00 175.29 173.86 2jy6 s ARG 42 N 2.07 3.15 -0.34 2.91 0.52 -1.13 -4.98 118.95 121.14 2jy6 s ARG 42 Ca 0.15 -0.81 -0.09 0.00 -0.52 0.00 0.00 55.73 54.46 2jy6 s ARG 42 Cb -0.16 -2.47 0.02 0.00 0.52 0.00 0.00 34.95 32.86 2jy6 s ARG 42 CO 0.10 0.11 0.15 -0.51 0.02 0.00 0.00 175.30 175.17 2jy6 s LEU 43 N 0.55 4.36 -0.15 2.53 1.43 -1.26 -0.37 118.68 125.77 2jy6 s LEU 43 Ca -0.12 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.07 2jy6 s LEU 43 Cb -0.16 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2jy6 s LEU 43 CO 0.04 -0.30 -0.01 -0.63 0.23 0.00 0.00 176.35 175.68 2jy6 s ILE 44 N 1.53 4.18 -0.04 -0.59 1.09 0.19 0.21 121.20 127.76 2jy6 s ILE 44 Ca 0.02 -0.26 -0.01 0.00 -1.10 0.00 0.00 60.65 59.30 2jy6 s ILE 44 Cb -0.18 -2.84 0.03 0.00 -1.06 0.00 0.00 42.46 38.41 2jy6 s ILE 44 CO 0.05 0.50 0.04 0.12 -0.10 0.00 0.00 174.94 175.55 2jy6 s PHE 45 N 0.18 0.23 -1.66 3.97 5.36 0.88 -0.94 117.98 125.99 2jy6 s PHE 45 Ca 0.00 0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 2jy6 s PHE 45 Cb -0.13 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.02 2jy6 s PHE 45 CO 0.02 -0.21 0.08 0.00 -1.46 0.00 0.00 175.22 173.65 2jy6 n ALA 46 N 5.04 -0.63 -0.96 11.12 0.00 -1.26 -1.55 120.51 132.28 2jy6 n ALA 46 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jy6 n ALA 46 Cb 0.50 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.08 0.50 3.29 0.00 0.00 -1.26 -5.03 105.19 101.60 2jy6 n GLY 47 Ca -0.22 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.39 1.16 0.01 1.61 1.02 -0.59 -5.13 119.74 117.43 2jy6 s LYS 48 Ca 0.00 -1.15 -0.20 0.00 0.02 0.00 0.00 55.97 54.64 2jy6 s LYS 48 Cb 0.00 -1.43 -0.06 0.00 -0.52 0.00 0.00 37.83 35.83 2jy6 s LYS 48 CO 0.00 0.34 0.59 1.14 -0.92 0.00 0.00 175.35 176.50 2jy6 s GLN 49 N -1.85 4.30 -0.21 1.68 -2.07 -1.26 -0.08 119.66 120.16 2jy6 s GLN 49 Ca 0.07 0.74 -0.15 0.00 -1.82 0.00 0.00 55.36 54.19 2jy6 s GLN 49 Cb -0.10 -3.33 -0.04 0.00 -1.09 0.00 0.00 33.01 28.46 2jy6 s GLN 49 CO 0.04 0.41 0.38 -0.51 -1.32 0.00 0.00 175.29 174.29 2jy6 s LEU 50 N -0.33 4.14 0.38 2.60 1.43 0.13 -4.95 118.68 122.08 2jy6 s LEU 50 Ca 0.31 0.46 -0.25 0.00 -1.03 0.00 0.00 54.13 53.62 2jy6 s LEU 50 Cb -0.18 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 2jy6 s LEU 50 CO 0.17 -0.08 1.02 -1.61 0.23 0.00 0.00 176.35 176.08 2jy6 s GLU 51 N 1.40 4.30 0.41 1.70 2.02 -1.26 -4.48 118.70 122.79 2jy6 s GLU 51 Ca 0.18 1.45 0.10 0.00 0.02 0.00 0.00 54.97 56.72 2jy6 s GLU 51 Cb -0.15 -2.61 0.87 0.00 0.10 0.00 0.00 34.13 32.34 2jy6 s GLU 51 CO 0.08 -0.01 1.97 -0.44 0.02 0.00 0.00 175.26 176.88 2jy6 h ASP 52 N 2.69 0.21 -0.18 -0.19 3.32 -1.97 -2.42 116.42 117.88 2jy6 h ASP 52 Ca -0.48 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 2jy6 h ASP 52 Cb 1.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2jy6 h ASP 52 CO 0.63 0.32 0.04 0.61 -1.72 0.00 0.00 179.24 179.11 2jy6 n GLY 53 N -1.03 2.07 3.48 2.75 0.00 -1.26 -2.61 105.19 108.58 2jy6 n GLY 53 Ca -0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.34 1.68 0.42 1.61 1.81 -0.91 -5.00 118.95 117.22 2jy6 s ARG 54 Ca 0.15 -1.85 0.07 0.00 -1.72 0.00 0.00 55.73 52.39 2jy6 s ARG 54 Cb 0.11 -1.48 -0.03 0.00 -0.45 0.00 0.00 34.95 33.10 2jy6 s ARG 54 CO 0.04 0.13 0.30 0.95 -0.68 0.00 0.00 175.30 176.03 2jy6 s THR 55 N -2.76 2.49 -1.03 0.02 -4.23 -1.26 -0.12 115.64 108.76 2jy6 s THR 55 Ca 0.31 -1.49 0.16 0.00 -1.18 0.00 0.00 61.69 59.48 2jy6 s THR 55 Cb 0.02 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 71.01 2jy6 s THR 55 CO 0.14 0.00 1.50 0.18 -0.54 0.00 0.00 174.62 175.90 2jy6 n LEU 56 N -1.42 0.00 0.06 4.79 4.77 -0.70 -1.79 117.00 122.70 2jy6 n LEU 56 Ca 0.02 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.53 2jy6 n LEU 56 Cb 0.63 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2jy6 n LEU 56 CO 0.44 -0.23 -0.20 -1.54 -1.33 0.00 0.00 177.39 174.54 2jy6 n SER 57 N -1.49 0.82 -0.17 -1.43 3.41 -1.02 -1.21 113.62 112.53 2jy6 n SER 57 Ca 0.04 0.34 -0.09 0.00 -0.26 0.00 0.00 58.87 58.91 2jy6 n SER 57 Cb 0.18 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.71 -0.28 4.04 3.32 -1.68 -2.45 116.42 120.08 2jy6 h ASP 58 Ca -0.10 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2jy6 h ASP 58 Cb 1.35 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jy6 h ASP 58 CO 0.03 0.74 0.00 -1.22 -1.72 0.00 0.00 179.24 177.07 2jy6 n TYR 59 N -4.50 0.36 -3.80 4.55 4.01 -1.24 -4.92 117.16 111.61 2jy6 n TYR 59 Ca 0.01 -0.18 -0.27 0.00 -0.16 0.00 0.00 57.90 57.30 2jy6 n TYR 59 Cb 0.20 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.28 2jy6 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jy6 n ASN 60 N 0.69 -4.65 -4.72 7.72 4.13 -0.92 -4.90 115.26 112.61 2jy6 n ASN 60 Ca 0.16 -0.72 -0.42 0.00 1.68 0.00 0.00 54.58 55.28 2jy6 n ASN 60 Cb 0.40 -4.23 -0.03 0.00 -1.54 0.00 0.00 39.78 34.38 2jy6 n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jy6 s ILE 61 N -3.35 3.31 0.69 2.41 1.01 -0.35 -5.01 121.20 119.90 2jy6 s ILE 61 Ca 0.54 0.95 -0.07 0.00 0.00 0.00 0.00 60.65 62.07 2jy6 s ILE 61 Cb -0.26 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.66 2jy6 s ILE 61 CO 0.80 0.08 1.00 -1.10 0.00 0.00 0.00 174.94 175.72 2jy6 s GLN 62 N 1.03 2.27 0.81 2.79 1.11 -1.26 -4.85 119.66 121.56 2jy6 s GLN 62 Ca 0.64 -0.23 -0.11 0.00 0.01 0.00 0.00 55.36 55.67 2jy6 s GLN 62 Cb -0.37 -2.18 0.08 0.00 -1.01 0.00 0.00 33.01 29.53 2jy6 s GLN 62 CO 0.31 -1.19 1.09 0.15 0.01 0.00 0.00 175.29 175.66 2jy6 s LYS 63 N -5.22 1.94 -1.55 2.91 1.02 -1.26 -3.69 119.74 113.89 2jy6 s LYS 63 Ca 0.60 0.79 -0.04 0.00 0.02 0.00 0.00 55.97 57.34 2jy6 s LYS 63 Cb -0.11 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.32 2jy6 s LYS 63 CO 0.45 -1.76 0.44 0.39 -0.92 0.00 0.00 175.35 173.95 2jy6 n GLU 64 N -3.55 -3.94 -2.27 1.68 4.71 -1.10 -4.96 120.64 111.21 2jy6 n GLU 64 Ca 0.07 0.87 -0.32 0.00 -0.01 0.00 0.00 57.16 57.77 2jy6 n GLU 64 Cb 0.55 -5.67 -0.02 0.00 -1.01 0.00 0.00 31.44 25.30 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 -2.53 6.29 -0.80 1.62 1.04 -1.24 -4.73 113.70 113.35 2jy6 s SER 65 Ca 0.23 1.68 -0.05 0.00 0.48 0.00 0.00 55.95 58.29 2jy6 s SER 65 Cb -0.11 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.69 2jy6 s SER 65 CO 0.29 -0.82 0.67 -0.89 0.98 0.00 0.00 173.24 173.47 2jy6 s THR 66 N -2.54 4.43 0.03 2.02 2.01 -1.26 -0.47 115.64 119.87 2jy6 s THR 66 Ca 0.61 -3.26 -0.30 0.00 0.31 0.00 0.00 61.69 59.05 2jy6 s THR 66 Cb -0.12 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2jy6 s THR 66 CO 0.33 -1.00 1.25 -0.76 -0.69 0.00 0.00 174.62 173.74 2jy6 s LEU 67 N -0.60 4.34 -0.28 4.42 1.02 0.83 -4.83 118.68 123.57 2jy6 s LEU 67 Ca 0.22 2.00 -0.08 0.00 0.02 0.00 0.00 54.13 56.29 2jy6 s LEU 67 Cb -0.13 -3.57 -0.01 0.00 0.02 0.00 0.00 46.19 42.49 2jy6 s LEU 67 CO -0.08 -0.55 0.11 -1.00 0.02 0.00 0.00 176.35 174.85 2jy6 s HIS 68 N 1.58 3.14 -0.62 0.29 3.76 -0.12 0.28 115.29 123.61 2jy6 s HIS 68 Ca 0.59 -0.56 -0.22 0.00 -0.15 0.00 0.00 55.06 54.72 2jy6 s HIS 68 Cb -0.29 -2.29 0.07 0.00 1.11 0.00 0.00 32.58 31.17 2jy6 s HIS 68 CO 0.27 -0.43 0.91 -1.17 -0.85 0.00 0.00 174.74 173.47 2jy6 s LEU 69 N 1.60 4.45 0.11 0.89 2.96 0.10 0.53 118.68 129.32 2jy6 s LEU 69 Ca 0.05 -0.88 -0.23 0.00 -0.22 0.00 0.00 54.13 52.85 2jy6 s LEU 69 Cb -0.16 -2.50 -0.07 0.00 0.50 0.00 0.00 46.19 43.96 2jy6 s LEU 69 CO 0.05 -1.32 0.69 -0.69 -1.32 0.00 0.00 176.35 173.76 2jy6 s VAL 70 N 3.81 4.56 0.46 1.68 1.01 0.50 -0.81 120.40 131.61 2jy6 s VAL 70 Ca 0.22 1.51 0.06 0.00 0.00 0.00 0.00 61.98 63.76 2jy6 s VAL 70 Cb -0.17 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 2jy6 s VAL 70 CO 0.12 0.51 0.19 -0.76 0.00 0.00 0.00 175.10 175.16 2jy6 s LEU 71 N -0.95 2.85 -0.13 3.92 1.43 -1.26 -2.86 118.68 121.68 2jy6 s LEU 71 Ca 0.33 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 2jy6 s LEU 71 Cb -0.21 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.83 2jy6 s LEU 71 CO 0.23 -0.73 -0.02 -0.60 0.23 0.00 0.00 176.35 175.46 2jy6 s ARG 72 N -3.98 1.04 -0.31 1.70 6.06 -1.26 -5.06 118.95 117.15 2jy6 s ARG 72 Ca 0.32 -0.25 -0.29 0.00 -2.50 0.00 0.00 55.73 53.01 2jy6 s ARG 72 Cb 0.02 -1.63 -0.01 0.00 0.06 0.00 0.00 34.95 33.40 2jy6 s ARG 72 CO 0.18 -0.40 1.48 -0.51 -2.50 0.00 0.00 175.30 173.55 2jy6 s LEU 73 N 1.80 3.77 0.06 -0.88 1.43 -1.26 -4.84 118.68 118.75 2jy6 s LEU 73 Ca 0.03 1.25 0.24 0.00 -1.03 0.00 0.00 54.13 54.61 2jy6 s LEU 73 Cb -0.14 -3.54 0.21 0.00 0.03 0.00 0.00 46.19 42.75 2jy6 s LEU 73 CO -0.07 -1.30 1.18 0.54 0.23 0.00 0.00 176.35 176.93 2jy6 n ARG 74 N 7.74 0.22 -3.82 1.70 5.12 -1.26 -4.86 116.66 121.51 2jy6 n ARG 74 Ca 0.17 0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.97 2jy6 n ARG 74 Cb 0.47 -1.60 -0.16 0.00 -1.16 0.00 0.00 32.46 30.01 2jy6 n ARG 74 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2jy6 s GLY 75 N -3.50 0.10 0.00 -0.13 0.00 -1.26 -5.39 107.32 97.14 2jy6 s GLY 75 Ca 0.06 0.22 0.18 0.00 0.00 0.00 0.00 44.72 45.18 2jy6 s GLY 75 CO 0.76 0.52 1.07 0.61 0.00 0.00 0.00 173.10 176.07