#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekq s GLN 2 N 0.00 3.98 -0.13 0.54 0.74 -1.26 -5.10 119.66 118.43 3ekq s GLN 2 Ca 0.00 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.19 3ekq s GLN 2 Cb 0.00 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.80 3ekq s GLN 2 CO 0.00 0.40 -0.15 0.42 -0.55 0.00 0.00 175.29 175.41 3ekq s ILE 3 N 0.06 1.57 0.68 -2.34 1.01 -1.26 -5.13 121.20 115.79 3ekq s ILE 3 Ca 0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3ekq s ILE 3 Cb -0.11 -1.45 0.09 0.00 0.01 0.00 0.00 42.46 40.99 3ekq s ILE 3 CO -0.00 0.46 0.94 0.42 0.00 0.00 0.00 174.94 176.76 3ekq s THR 4 N 1.24 2.32 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.45 3ekq s THR 4 Ca -0.00 -0.54 0.15 0.00 -1.18 0.00 0.00 61.69 60.12 3ekq s THR 4 Cb -0.14 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.23 3ekq s THR 4 CO -0.06 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.35 3ekq n LEU 5 N -2.73 2.19 0.14 4.79 4.77 -1.26 -4.54 117.00 120.35 3ekq n LEU 5 Ca 0.12 -3.08 -0.01 0.00 -0.03 0.00 0.00 56.01 53.01 3ekq n LEU 5 Cb 0.60 -0.40 0.16 0.00 -2.33 0.00 0.00 43.42 41.45 3ekq n LEU 5 CO 0.45 0.85 0.49 -0.50 -1.33 0.00 0.00 177.39 177.34 3ekq h TRP 6 N 0.30 0.00 -2.11 -1.77 6.55 -2.07 -3.44 115.95 113.42 3ekq h TRP 6 Ca -0.01 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.24 3ekq h TRP 6 Cb 1.07 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.25 3ekq h TRP 6 CO 0.22 0.62 -0.68 0.15 -1.05 0.00 0.00 178.44 177.69 3ekq s LYS 7 N -3.52 1.98 0.09 0.49 -0.14 -1.26 -5.09 119.74 112.28 3ekq s LYS 7 Ca -0.01 -1.67 -0.35 0.00 -1.36 0.00 0.00 55.97 52.58 3ekq s LYS 7 Cb 0.12 -1.92 -0.15 0.00 -1.68 0.00 0.00 37.83 34.20 3ekq s LYS 7 CO 0.76 0.27 1.53 0.54 -0.76 0.00 0.00 175.35 177.69 3ekq n ARG 8 N -0.81 1.76 -1.65 1.68 1.74 -1.26 -4.83 116.66 113.29 3ekq n ARG 8 Ca -0.05 0.63 -0.40 0.00 -0.77 0.00 0.00 57.85 57.27 3ekq n ARG 8 Cb 0.61 -2.36 -0.04 0.00 -1.02 0.00 0.00 32.46 29.64 3ekq n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ekq n PRO 9 N 3.49 2.02 -3.47 5.56 -0.04 -1.26 -4.91 135.00 136.39 3ekq n PRO 9 Ca 0.18 -2.32 -0.37 0.00 -0.04 0.00 0.00 63.50 60.95 3ekq n PRO 9 Cb 0.25 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 3ekq n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ekq s ILE 10 N 5.88 5.21 0.14 0.52 1.01 -1.26 -1.62 121.20 131.08 3ekq s ILE 10 Ca 0.57 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.99 3ekq s ILE 10 Cb 0.10 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 3ekq s ILE 10 CO 0.07 0.42 -0.06 0.68 0.00 0.00 0.00 174.94 176.05 3ekq s VAL 11 N 0.11 0.90 -0.02 2.92 -7.23 -0.50 -4.95 120.40 111.63 3ekq s VAL 11 Ca 0.21 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.11 3ekq s VAL 11 Cb -0.14 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3ekq s VAL 11 CO 0.08 -0.71 0.85 -0.89 -0.31 0.00 0.00 175.10 174.12 3ekq s THR 12 N -3.50 4.92 0.11 5.32 2.01 -1.26 -0.94 115.64 122.31 3ekq s THR 12 Ca 0.17 1.78 0.07 0.00 0.31 0.00 0.00 61.69 64.01 3ekq s THR 12 Cb 0.04 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 3ekq s THR 12 CO -0.00 0.22 -0.06 0.27 -0.69 0.00 0.00 174.62 174.35 3ekq s ILE 13 N 0.82 3.57 -0.17 1.82 -4.36 0.45 -2.40 121.20 120.93 3ekq s ILE 13 Ca 0.45 -1.25 -0.03 0.00 -0.26 0.00 0.00 60.65 59.56 3ekq s ILE 13 Cb -0.20 -2.70 -0.02 0.00 1.25 0.00 0.00 42.46 40.79 3ekq s ILE 13 CO 0.24 0.07 -0.06 -0.60 0.24 0.00 0.00 174.94 174.83 3ekq s ARG 14 N -2.37 3.53 -0.09 0.37 3.52 0.38 -1.31 118.95 122.98 3ekq s ARG 14 Ca 0.23 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3ekq s ARG 14 Cb -0.11 -2.89 0.05 0.00 -1.56 0.00 0.00 34.95 30.44 3ekq s ARG 14 CO 0.16 0.10 0.18 -1.50 -0.81 0.00 0.00 175.30 173.43 3ekq s ILE 15 N 0.70 -0.16 -1.62 4.11 2.07 0.37 -0.87 121.20 125.81 3ekq s ILE 15 Ca -0.03 0.24 -0.03 0.00 -1.41 0.00 0.00 60.65 59.43 3ekq s ILE 15 Cb -0.15 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.14 3ekq s ILE 15 CO 0.02 0.10 0.33 0.61 -1.91 0.00 0.00 174.94 174.09 3ekq n GLY 16 N 4.71 -0.48 3.34 1.50 0.00 -1.26 0.02 105.19 113.02 3ekq n GLY 16 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3ekq n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekq n GLY 17 N -1.29 1.40 3.80 -0.02 0.00 -1.26 -5.02 105.19 102.79 3ekq n GLY 17 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3ekq n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ekq s GLN 18 N -0.14 4.04 -0.12 1.61 -1.52 0.10 -5.09 119.66 118.55 3ekq s GLN 18 Ca 0.00 0.36 -0.14 0.00 -1.95 0.00 0.00 55.36 53.63 3ekq s GLN 18 Cb 0.00 -3.29 -0.05 0.00 -0.22 0.00 0.00 33.01 29.45 3ekq s GLN 18 CO 0.00 0.52 0.35 -0.51 -0.25 0.00 0.00 175.29 175.40 3ekq s LEU 19 N -0.51 4.31 0.08 2.90 1.43 -1.26 -0.48 118.68 125.14 3ekq s LEU 19 Ca 0.23 0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 53.95 3ekq s LEU 19 Cb -0.16 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 3ekq s LEU 19 CO 0.11 0.14 0.07 -0.54 0.23 0.00 0.00 176.35 176.37 3ekq s LYS 20 N 0.09 0.75 -0.15 1.70 1.02 -0.43 -5.00 119.74 117.73 3ekq s LYS 20 Ca 0.20 -1.14 -0.07 0.00 0.02 0.00 0.00 55.97 54.98 3ekq s LYS 20 Cb -0.14 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 3ekq s LYS 20 CO 0.07 -0.19 0.11 -1.21 -0.92 0.00 0.00 175.35 173.21 3ekq s GLU 21 N -3.91 3.71 0.02 1.68 0.41 -1.26 -0.41 118.70 118.93 3ekq s GLU 21 Ca 0.08 -0.22 -0.07 0.00 -0.41 0.00 0.00 54.97 54.34 3ekq s GLU 21 Cb 0.07 -3.22 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 3ekq s GLU 21 CO -0.09 0.54 0.14 0.00 -0.49 0.00 0.00 175.26 175.36 3ekq s ALA 22 N -0.37 -0.28 -0.24 5.21 0.00 -0.12 -4.60 121.76 121.36 3ekq s ALA 22 Ca 0.11 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 3ekq s ALA 22 Cb -0.12 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3ekq s ALA 22 CO 0.01 -0.26 0.42 -1.17 0.00 0.00 0.00 175.76 174.77 3ekq s LEU 23 N -1.66 4.08 -0.20 0.00 2.96 -0.08 -1.41 118.68 122.37 3ekq s LEU 23 Ca -0.11 0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 3ekq s LEU 23 Cb -0.05 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 3ekq s LEU 23 CO -0.01 -0.18 1.58 -0.76 -1.32 0.00 0.00 176.35 175.66 3ekq s LEU 24 N 1.88 3.97 -0.35 -0.68 1.43 -0.64 0.13 118.68 124.42 3ekq s LEU 24 Ca 0.18 1.67 -0.00 0.00 -1.03 0.00 0.00 54.13 54.95 3ekq s LEU 24 Cb -0.15 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.66 3ekq s LEU 24 CO 0.09 -1.17 0.19 -0.62 0.23 0.00 0.00 176.35 175.07 3ekq s ASP 25 N 3.88 3.30 0.51 2.29 -1.08 -0.55 -4.77 116.67 120.25 3ekq s ASP 25 Ca 0.70 -2.07 0.30 0.00 -0.52 0.00 0.00 52.55 50.95 3ekq s ASP 25 Cb -0.25 -0.56 1.10 0.00 -1.46 0.00 0.00 42.92 41.75 3ekq s ASP 25 CO 0.28 -0.33 1.89 0.71 0.52 0.00 0.00 175.17 178.23 3ekq h THR 26 N 5.44 0.15 -0.14 1.71 1.35 -1.93 -2.95 112.91 116.54 3ekq h THR 26 Ca -0.02 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3ekq h THR 26 Cb 0.97 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3ekq h THR 26 CO 0.36 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 3ekq n GLY 27 N 0.22 -0.06 3.43 5.82 0.00 -1.26 -4.79 105.19 108.55 3ekq n GLY 27 Ca 0.01 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3ekq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekq s ALA 28 N -1.82 2.76 0.26 4.61 0.00 -1.11 -4.99 121.76 121.46 3ekq s ALA 28 Ca 0.28 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 3ekq s ALA 28 Cb 0.15 -1.28 0.34 0.00 0.00 0.00 0.00 23.12 22.32 3ekq s ALA 28 CO 0.22 0.30 1.72 -0.44 0.00 0.00 0.00 175.76 177.56 3ekq h ASP 29 N 6.44 0.65 -2.42 0.00 3.32 -1.87 -0.47 116.42 122.07 3ekq h ASP 29 Ca -0.31 -0.20 -0.61 0.00 0.02 0.00 0.00 57.03 55.93 3ekq h ASP 29 Cb 1.20 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 3ekq h ASP 29 CO 0.57 0.82 -0.77 -1.81 -1.72 0.00 0.00 179.24 176.32 3ekq s ASP 30 N -6.74 3.53 -0.27 6.45 1.01 -1.26 -2.63 116.67 116.76 3ekq s ASP 30 Ca -0.08 -1.00 -0.11 0.00 0.71 0.00 0.00 52.55 52.07 3ekq s ASP 30 Cb 0.14 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 3ekq s ASP 30 CO 0.81 0.05 0.17 -0.89 0.21 0.00 0.00 175.17 175.52 3ekq s THR 31 N -2.37 5.27 -0.10 -1.27 2.01 -1.26 -3.03 115.64 114.89 3ekq s THR 31 Ca 0.28 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.43 3ekq s THR 31 Cb -0.05 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.99 3ekq s THR 31 CO 0.14 0.28 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.58 3ekq s VAL 32 N 1.54 0.97 0.20 3.82 1.01 -0.77 -0.69 120.40 126.48 3ekq s VAL 32 Ca 0.07 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 61.88 3ekq s VAL 32 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3ekq s VAL 32 CO 0.09 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.55 3ekq s LEU 33 N 1.49 2.48 1.07 3.92 1.43 0.27 -0.86 118.68 128.47 3ekq s LEU 33 Ca 0.00 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 3ekq s LEU 33 Cb -0.13 -1.20 0.23 0.00 0.03 0.00 0.00 46.19 45.12 3ekq s LEU 33 CO -0.05 0.12 1.03 -0.62 0.23 0.00 0.00 176.35 177.05 3ekq n GLU 34 N 0.21 -1.64 -1.69 1.70 1.02 -1.26 -1.47 120.64 117.51 3ekq n GLU 34 Ca -0.12 -0.43 -0.44 0.00 -0.02 0.00 0.00 57.16 56.15 3ekq n GLU 34 Cb 0.56 -2.23 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 3ekq n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ekq n GLU 35 N -4.56 2.38 -3.71 3.49 4.07 -1.18 -4.38 120.64 116.74 3ekq n GLU 35 Ca 0.07 0.85 -0.07 0.00 -0.06 0.00 0.00 57.16 57.95 3ekq n GLU 35 Cb 0.53 -2.62 -0.02 0.00 -0.06 0.00 0.00 31.44 29.27 3ekq n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ekq s MET 36 N 0.48 1.39 -0.26 5.31 0.23 -1.26 -5.01 119.30 120.18 3ekq s MET 36 Ca 0.73 -0.71 -0.14 0.00 -1.03 0.00 0.00 55.69 54.54 3ekq s MET 36 Cb -0.60 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 33.17 3ekq s MET 36 CO 0.41 -0.63 0.31 -0.80 -2.03 0.00 0.00 175.02 172.28 3ekq s ASN 37 N -2.85 6.21 0.08 -1.18 -0.87 -1.26 -5.02 114.94 110.05 3ekq s ASN 37 Ca 0.09 0.24 0.08 0.00 -1.57 0.00 0.00 52.86 51.70 3ekq s ASN 37 Cb -0.03 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 38.98 3ekq s ASN 37 CO 0.00 -0.11 -0.16 -0.76 -2.57 0.00 0.00 177.10 173.50 3ekq s LEU 38 N 1.78 2.75 0.33 0.60 1.43 -1.26 -5.10 118.68 119.21 3ekq s LEU 38 Ca 0.13 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.50 3ekq s LEU 38 Cb -0.15 -1.60 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 3ekq s LEU 38 CO 0.09 0.21 1.08 -2.84 0.23 0.00 0.00 176.35 175.12 3ekq s PRO 39 N -1.86 4.42 0.00 1.29 0.02 -1.26 -4.96 135.00 132.65 3ekq s PRO 39 Ca 0.17 1.68 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3ekq s PRO 39 Cb -0.11 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3ekq s PRO 39 CO 0.09 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 3ekq n GLY 40 N 0.83 3.86 3.75 0.52 0.00 -1.26 -5.00 105.19 107.89 3ekq n GLY 40 Ca 0.02 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 3ekq n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ekq s LYS 41 N -3.19 4.37 0.03 1.61 3.01 -1.26 -5.04 119.74 119.27 3ekq s LYS 41 Ca 0.00 2.13 0.07 0.00 -1.01 0.00 0.00 55.97 57.17 3ekq s LYS 41 Cb 0.00 -3.14 -0.02 0.00 -1.01 0.00 0.00 37.83 33.66 3ekq s LYS 41 CO 0.00 -0.23 -0.21 1.67 0.51 0.00 0.00 175.35 177.10 3ekq s TRP 42 N -0.41 1.83 -0.02 3.18 1.48 -1.26 -4.77 118.94 118.97 3ekq s TRP 42 Ca 0.54 -0.37 -0.20 0.00 -1.06 0.00 0.00 56.10 55.01 3ekq s TRP 42 Cb -0.38 -1.11 -0.05 0.00 -1.16 0.00 0.00 33.47 30.76 3ekq s TRP 42 CO 0.44 0.06 0.57 -1.59 -4.06 0.00 0.00 176.95 172.37 3ekq s LYS 43 N -1.00 4.30 0.28 3.25 0.00 -1.03 -4.86 119.74 120.68 3ekq s LYS 43 Ca 0.08 0.68 -0.29 0.00 0.00 0.00 0.00 55.97 56.43 3ekq s LYS 43 Cb -0.09 -3.35 -0.10 0.00 0.00 0.00 0.00 37.83 34.29 3ekq s LYS 43 CO 0.01 0.36 1.43 -2.14 0.00 0.00 0.00 175.35 175.01 3ekq s PRO 44 N -0.12 4.26 0.01 1.78 0.02 -1.26 -0.17 135.00 139.51 3ekq s PRO 44 Ca 0.30 2.34 -0.03 0.00 0.02 0.00 0.00 61.00 63.63 3ekq s PRO 44 Cb -0.18 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.26 3ekq s PRO 44 CO 0.16 -0.40 0.05 0.21 -0.33 0.00 0.00 177.00 176.69 3ekq s LYS 45 N -0.88 0.38 -0.14 5.54 2.20 -0.34 -4.88 119.74 121.62 3ekq s LYS 45 Ca 0.57 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.67 3ekq s LYS 45 Cb -0.42 0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.02 3ekq s LYS 45 CO 0.48 -0.08 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.67 3ekq s MET 46 N -1.36 3.49 0.38 4.03 -1.94 -1.26 -0.19 119.30 122.46 3ekq s MET 46 Ca -0.15 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 3ekq s MET 46 Cb -0.08 -2.77 -0.07 0.00 2.01 0.00 0.00 34.83 33.92 3ekq s MET 46 CO 0.00 0.26 0.04 0.96 -0.01 0.00 0.00 175.02 176.26 3ekq s ILE 47 N 0.29 1.53 0.02 2.53 -4.36 -0.23 -4.96 121.20 116.01 3ekq s ILE 47 Ca -0.06 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 3ekq s ILE 47 Cb -0.15 -2.82 -0.01 0.00 1.25 0.00 0.00 42.46 40.73 3ekq s ILE 47 CO 0.04 0.00 -0.03 0.54 0.24 0.00 0.00 174.94 175.73 3ekq s VAL 48 N -2.99 0.13 0.00 8.37 0.11 -1.26 -0.25 120.40 124.50 3ekq s VAL 48 Ca 0.33 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 3ekq s VAL 48 Cb 0.08 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.71 3ekq s VAL 48 CO 0.16 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.20 3ekq n GLY 49 N 2.04 3.84 3.74 6.54 0.00 -0.68 -5.00 105.19 115.67 3ekq n GLY 49 Ca -0.20 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3ekq n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ekq s ILE 50 N -0.90 3.21 0.00 -0.61 1.01 -1.26 -1.75 121.20 120.90 3ekq s ILE 50 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.67 3ekq s ILE 50 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3ekq s ILE 50 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3ekq n GLY 51 N 2.18 2.20 0.00 6.18 0.00 -1.26 -4.95 105.19 109.53 3ekq n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ekq n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekq n GLY 52 N -2.00 0.41 3.85 -0.02 0.00 -0.72 -5.03 105.19 101.68 3ekq n GLY 52 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 3ekq n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ekq s PHE 53 N 0.00 3.41 -0.05 1.61 0.40 -1.26 -1.69 117.98 120.40 3ekq s PHE 53 Ca 0.00 1.28 0.02 0.00 -0.60 0.00 0.00 56.93 57.63 3ekq s PHE 53 Cb 0.00 -2.61 0.01 0.00 0.51 0.00 0.00 43.02 40.93 3ekq s PHE 53 CO 0.00 -0.10 -0.11 0.08 0.70 0.00 0.00 175.22 175.80 3ekq s VAL 54 N -2.27 0.98 -0.09 -0.44 1.01 0.65 -4.96 120.40 115.28 3ekq s VAL 54 Ca 0.55 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.84 3ekq s VAL 54 Cb -0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3ekq s VAL 54 CO 0.24 0.31 0.87 -1.59 0.00 0.00 0.00 175.10 174.92 3ekq s LYS 55 N 0.44 4.42 0.26 2.72 0.00 -1.26 -1.07 119.74 125.24 3ekq s LYS 55 Ca -0.09 1.15 0.02 0.00 0.00 0.00 0.00 55.97 57.05 3ekq s LYS 55 Cb -0.12 -3.51 -0.05 0.00 0.00 0.00 0.00 37.83 34.14 3ekq s LYS 55 CO 0.02 -0.16 0.08 0.14 0.00 0.00 0.00 175.35 175.43 3ekq s VAL 56 N 1.51 0.63 -0.20 1.79 -7.23 0.74 -4.35 120.40 113.29 3ekq s VAL 56 Ca 0.43 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 3ekq s VAL 56 Cb -0.18 -2.60 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 3ekq s VAL 56 CO 0.19 -0.05 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.71 3ekq s ARG 57 N -4.01 3.28 -0.28 4.82 0.52 0.66 -1.20 118.95 122.74 3ekq s ARG 57 Ca 0.36 -0.68 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 3ekq s ARG 57 Cb 0.08 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 3ekq s ARG 57 CO 0.13 -0.18 0.62 -1.14 0.02 0.00 0.00 175.30 174.75 3ekq s GLN 58 N 1.36 3.99 -0.16 3.54 0.74 0.76 -1.20 119.66 128.69 3ekq s GLN 58 Ca 0.05 0.39 -0.03 0.00 0.05 0.00 0.00 55.36 55.82 3ekq s GLN 58 Cb -0.14 -3.69 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3ekq s GLN 58 CO -0.05 -0.50 -0.06 0.71 -0.55 0.00 0.00 175.29 174.84 3ekq s TYR 59 N 2.55 2.96 0.13 1.67 1.51 -0.33 -2.47 117.35 123.37 3ekq s TYR 59 Ca 0.25 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 3ekq s TYR 59 Cb -0.15 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3ekq s TYR 59 CO 0.10 -0.17 0.27 -0.51 -1.11 0.00 0.00 175.55 174.14 3ekq s ASP 60 N 0.55 6.35 -1.37 2.29 1.01 -1.26 -0.69 116.67 123.54 3ekq s ASP 60 Ca -0.04 0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.38 3ekq s ASP 60 Cb -0.15 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.88 3ekq s ASP 60 CO 0.03 0.08 0.77 0.00 0.21 0.00 0.00 175.17 176.26 3ekq n GLN 61 N -0.35 -5.06 -3.39 8.23 1.13 -1.12 -4.90 117.38 111.92 3ekq n GLN 61 Ca -0.06 0.61 -0.38 0.00 -1.94 0.00 0.00 57.00 55.22 3ekq n GLN 61 Cb 0.53 -5.25 -0.07 0.00 0.11 0.00 0.00 30.24 25.56 3ekq n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ekq s ILE 62 N -3.58 5.20 0.19 5.09 -1.09 0.79 -4.70 121.20 123.09 3ekq s ILE 62 Ca 0.18 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 59.01 3ekq s ILE 62 Cb -0.09 -3.73 -0.08 0.00 -1.58 0.00 0.00 42.46 36.98 3ekq s ILE 62 CO 0.82 0.25 1.14 -2.84 -1.23 0.00 0.00 174.94 173.08 3ekq s PRO 63 N 1.33 4.55 -0.16 2.79 0.02 -1.26 -1.56 135.00 140.71 3ekq s PRO 63 Ca 0.19 1.79 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 3ekq s PRO 63 Cb -0.15 -3.26 0.05 0.00 0.02 0.00 0.00 34.50 31.17 3ekq s PRO 63 CO 0.08 0.01 0.39 -1.50 -0.33 0.00 0.00 177.00 175.64 3ekq s ILE 64 N -0.20 -0.02 -0.22 2.83 2.07 0.02 -4.50 121.20 121.18 3ekq s ILE 64 Ca 0.51 0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.76 3ekq s ILE 64 Cb -0.31 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 3ekq s ILE 64 CO 0.36 0.03 0.03 -0.70 -1.91 0.00 0.00 174.94 172.75 3ekq s GLU 65 N 1.08 3.67 -0.34 3.50 2.12 -0.05 -1.00 118.70 127.68 3ekq s GLU 65 Ca -0.07 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 54.78 3ekq s GLU 65 Cb -0.07 -3.19 0.09 0.00 0.26 0.00 0.00 34.13 31.22 3ekq s GLU 65 CO -0.09 -0.04 0.05 0.42 -0.54 0.00 0.00 175.26 175.06 3ekq s ILE 66 N 1.18 2.66 -1.46 -3.70 1.01 0.11 -0.47 121.20 120.54 3ekq s ILE 66 Ca 0.04 -1.96 -0.10 0.00 0.00 0.00 0.00 60.65 58.64 3ekq s ILE 66 Cb -0.14 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.60 3ekq s ILE 66 CO 0.02 -0.42 0.88 0.00 0.00 0.00 0.00 174.94 175.42 3ekq n GLY 68 N -1.67 1.02 3.52 0.00 0.00 -1.26 -5.02 105.19 101.77 3ekq n GLY 68 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3ekq n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ekq s HIS 69 N -3.02 3.03 -0.05 1.61 4.02 -0.26 -5.09 115.29 115.54 3ekq s HIS 69 Ca 0.00 -0.25 -0.19 0.00 1.02 0.00 0.00 55.06 55.64 3ekq s HIS 69 Cb 0.00 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.58 29.57 3ekq s HIS 69 CO 0.00 0.01 0.53 0.15 1.02 0.00 0.00 174.74 176.45 3ekq s LYS 70 N 0.24 4.28 0.09 1.40 1.02 -1.26 0.06 119.74 125.57 3ekq s LYS 70 Ca -0.02 0.59 0.04 0.00 0.02 0.00 0.00 55.97 56.59 3ekq s LYS 70 Cb -0.14 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 3ekq s LYS 70 CO 0.03 0.32 -0.11 0.00 -0.92 0.00 0.00 175.35 174.67 3ekq s ALA 71 N 0.03 1.09 -0.20 5.17 0.00 -0.17 -4.75 121.76 122.93 3ekq s ALA 71 Ca 0.28 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 3ekq s ALA 71 Cb -0.17 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.03 3ekq s ALA 71 CO 0.14 -0.00 0.08 0.42 0.00 0.00 0.00 175.76 176.40 3ekq s ILE 72 N -2.18 0.14 0.00 0.00 1.01 -1.26 -0.80 121.20 118.11 3ekq s ILE 72 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3ekq s ILE 72 Cb -0.05 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.62 3ekq s ILE 72 CO 0.00 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.23 3ekq n GLY 73 N 5.19 2.13 3.73 6.18 0.00 -0.60 -4.75 105.19 117.06 3ekq n GLY 73 Ca -0.07 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 3ekq n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekq s THR 74 N -2.69 4.91 -0.14 2.61 2.01 -1.26 -0.15 115.64 120.93 3ekq s THR 74 Ca 0.00 1.53 0.00 0.00 0.31 0.00 0.00 61.69 63.53 3ekq s THR 74 Cb 0.00 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.46 3ekq s THR 74 CO 0.00 0.30 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.41 3ekq s VAL 75 N 0.43 1.46 -0.04 3.82 1.01 0.13 -4.54 120.40 122.66 3ekq s VAL 75 Ca 0.38 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3ekq s VAL 75 Cb -0.19 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3ekq s VAL 75 CO 0.20 0.42 0.42 -0.76 0.00 0.00 0.00 175.10 175.39 3ekq s LEU 76 N 1.53 4.40 -0.09 3.92 1.43 0.13 -1.18 118.68 128.83 3ekq s LEU 76 Ca 0.05 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 3ekq s LEU 76 Cb -0.13 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.50 3ekq s LEU 76 CO -0.10 0.22 -0.17 -0.69 0.23 0.00 0.00 176.35 175.84 3ekq s VAL 77 N -0.49 1.53 -0.94 -1.59 1.01 -0.34 -0.57 120.40 119.01 3ekq s VAL 77 Ca 0.24 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3ekq s VAL 77 Cb -0.16 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3ekq s VAL 77 CO 0.12 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3ekq n GLY 78 N 3.86 -1.34 1.99 4.51 0.00 -0.55 -0.24 105.19 113.42 3ekq n GLY 78 Ca -0.20 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 3ekq n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ekq n PRO 79 N -0.08 1.87 -2.28 1.61 -0.04 -1.26 -3.12 135.00 131.69 3ekq n PRO 79 Ca 0.00 -0.90 -0.40 0.00 -0.04 0.00 0.00 63.50 62.16 3ekq n PRO 79 Cb 0.00 -1.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 3ekq n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ekq s THR 80 N 1.01 3.09 -0.49 0.52 -1.32 -1.26 -4.94 115.64 112.25 3ekq s THR 80 Ca 0.60 1.02 0.22 0.00 -1.21 0.00 0.00 61.69 62.33 3ekq s THR 80 Cb 0.29 -3.62 0.23 0.00 -1.51 0.00 0.00 72.50 67.89 3ekq s THR 80 CO 0.00 0.19 1.68 -2.65 -2.21 0.00 0.00 174.62 171.62 3ekq n PRO 81 N 0.60 0.17 -3.65 7.08 -0.02 -1.26 -4.74 135.00 133.19 3ekq n PRO 81 Ca 0.01 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 3ekq n PRO 81 Cb 0.44 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.00 3ekq n PRO 81 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3ekq s THR 82 N -3.32 0.00 0.12 3.45 -4.23 -1.26 -5.11 115.64 105.29 3ekq s THR 82 Ca 0.04 -0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.22 3ekq s THR 82 Cb 0.09 -0.89 -0.09 0.00 1.34 0.00 0.00 72.50 72.95 3ekq s THR 82 CO 0.35 -0.01 1.55 0.20 -0.54 0.00 0.00 174.62 176.18 3ekq s ASN 83 N 0.14 6.65 -0.01 3.99 0.01 -1.26 -4.79 114.94 119.66 3ekq s ASN 83 Ca -0.01 2.49 0.03 0.00 -0.71 0.00 0.00 52.86 54.66 3ekq s ASN 83 Cb -0.04 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.03 3ekq s ASN 83 CO 0.02 -0.80 -0.10 0.27 -1.51 0.00 0.00 177.10 174.98 3ekq s ILE 84 N 1.65 0.77 -0.33 0.60 -4.36 -0.04 -0.90 121.20 118.59 3ekq s ILE 84 Ca 0.70 -0.40 -0.12 0.00 -0.26 0.00 0.00 60.65 60.57 3ekq s ILE 84 Cb -0.41 -0.66 -0.01 0.00 1.25 0.00 0.00 42.46 42.63 3ekq s ILE 84 CO 0.31 0.23 0.21 -0.63 0.24 0.00 0.00 174.94 175.30 3ekq s ILE 85 N -0.11 5.04 0.49 8.37 -1.09 0.12 -1.84 121.20 132.17 3ekq s ILE 85 Ca 0.02 -0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.15 3ekq s ILE 85 Cb -0.05 -3.60 0.09 0.00 -1.58 0.00 0.00 42.46 37.32 3ekq s ILE 85 CO -0.00 -0.00 0.67 0.61 -1.23 0.00 0.00 174.94 174.99 3ekq n GLY 86 N 5.06 1.22 0.28 6.18 0.00 -1.17 -1.48 105.19 115.29 3ekq n GLY 86 Ca -0.13 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.83 3ekq n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ekq h ARG 87 N 0.00 0.44 -1.06 1.61 3.08 -1.11 -0.65 114.38 116.69 3ekq h ARG 87 Ca -0.22 -0.05 0.29 0.00 0.07 0.00 0.00 59.98 60.06 3ekq h ARG 87 Cb 0.91 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.80 3ekq h ARG 87 CO 0.27 0.38 0.73 -2.95 -1.07 0.00 0.00 179.97 177.32 3ekq h ASN 88 N 0.44 0.23 0.00 7.04 -1.07 -1.77 -1.61 115.58 118.84 3ekq h ASN 88 Ca 0.11 0.04 -0.23 0.00 0.07 0.00 0.00 56.30 56.30 3ekq h ASN 88 Cb 0.11 0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 36.32 3ekq h ASN 88 CO -0.01 0.05 -1.85 0.18 0.07 0.00 0.00 177.43 175.87 3ekq n LEU 89 N -4.42 0.11 -0.15 6.14 4.77 -0.81 -4.23 117.00 118.41 3ekq n LEU 89 Ca 0.24 -0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 3ekq n LEU 89 Cb 1.01 0.27 0.36 0.00 -2.33 0.00 0.00 43.42 42.73 3ekq n LEU 89 CO 0.33 0.32 1.21 -0.07 -1.33 0.00 0.00 177.39 177.85 3ekq h LEU 90 N 0.00 0.64 -0.92 2.23 3.38 -0.91 -1.90 115.31 117.82 3ekq h LEU 90 Ca -0.34 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 3ekq h LEU 90 Cb 1.76 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3ekq h LEU 90 CO 0.02 0.43 -0.43 0.71 0.09 0.00 0.00 178.44 179.25 3ekq h THR 91 N 0.73 1.32 0.00 0.22 1.35 -1.51 -1.33 112.91 113.69 3ekq h THR 91 Ca 0.28 -1.57 -0.05 0.00 -0.55 0.00 0.00 66.41 64.52 3ekq h THR 91 Cb 0.18 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3ekq h THR 91 CO -0.08 0.47 -0.26 1.56 -0.25 0.00 0.00 175.52 176.95 3ekq h GLN 92 N 0.19 0.00 -0.69 4.72 4.20 -1.52 -2.84 115.11 119.17 3ekq h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3ekq h GLN 92 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3ekq h GLN 92 CO 0.07 0.26 0.00 0.44 -0.67 0.00 0.00 178.83 178.93 3ekq n ILE 93 N -3.71 1.01 -2.87 2.54 -5.35 -1.11 -4.89 119.36 104.99 3ekq n ILE 93 Ca -0.01 -1.00 -0.11 0.00 -0.27 0.00 0.00 62.75 61.35 3ekq n ILE 93 Cb 0.37 0.49 0.03 0.00 -1.74 0.00 0.00 39.64 38.79 3ekq n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ekq n GLY 94 N 1.51 0.21 3.71 3.28 0.00 -1.07 -5.00 105.19 107.83 3ekq n GLY 94 Ca 0.23 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3ekq n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekq s THR 96 N 0.78 1.31 -0.11 0.00 -4.23 -1.26 -4.66 115.64 107.47 3ekq s THR 96 Ca 0.24 -2.09 -0.10 0.00 -1.18 0.00 0.00 61.69 58.56 3ekq s THR 96 Cb -0.15 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 3ekq s THR 96 CO 0.09 -0.45 0.21 -0.76 -0.54 0.00 0.00 174.62 173.18 3ekq s LEU 97 N -3.31 4.37 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.57 3ekq s LEU 97 Ca 0.25 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3ekq s LEU 97 Cb 0.04 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3ekq s LEU 97 CO 0.07 0.33 0.05 0.20 0.23 0.00 0.00 176.35 177.23 3ekq s ASN 98 N -0.71 0.52 0.00 2.29 0.01 -1.26 -5.29 114.94 110.50 3ekq s ASN 98 Ca 0.16 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 3ekq s ASN 98 Cb -0.13 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.45 3ekq s ASN 98 CO 0.05 -0.18 0.00 2.22 -1.51 0.00 0.00 177.10 177.68