#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 3.99 -0.16 0.54 0.74 -1.26 -5.09 119.66 118.42 3ekq s GLN 2 Ca 0.00 -0.34 -0.00 0.00 0.05 0.00 0.00 55.36 55.07 3ekq s GLN 2 Cb 0.00 -3.23 0.00 0.00 1.10 0.00 0.00 33.01 30.88 3ekq s GLN 2 CO 0.00 0.27 -0.15 0.42 -0.55 0.00 0.00 175.29 175.28 3ekq s ILE 3 N 0.39 2.64 0.50 -2.34 1.01 -1.26 -5.12 121.20 117.02 3ekq s ILE 3 Ca 0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3ekq s ILE 3 Cb -0.12 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.22 3ekq s ILE 3 CO 0.00 0.51 0.76 0.28 0.00 0.00 0.00 174.94 176.49 3ekq s THR 4 N 0.95 3.96 -0.25 2.92 -1.32 -1.26 -5.04 115.64 115.61 3ekq s THR 4 Ca -0.03 -0.27 0.13 0.00 -1.21 0.00 0.00 61.69 60.31 3ekq s THR 4 Cb -0.15 -3.50 0.32 0.00 -1.51 0.00 0.00 72.50 67.65 3ekq s THR 4 CO -0.02 -0.42 1.23 0.18 -2.21 0.00 0.00 174.62 173.37 3ekq n LEU 5 N -2.26 2.87 -0.06 9.08 4.77 -1.26 -4.64 117.00 125.50 3ekq n LEU 5 Ca 0.02 -2.69 -0.05 0.00 -0.03 0.00 0.00 56.01 53.27 3ekq n LEU 5 Cb 0.57 -0.36 0.17 0.00 -2.33 0.00 0.00 43.42 41.48 3ekq n LEU 5 CO 0.50 0.66 0.80 -0.50 -1.33 0.00 0.00 177.39 177.52 3ekq h TRP 6 N 0.91 0.74 -0.91 -1.77 4.06 -2.06 -3.43 115.95 113.48 3ekq h TRP 6 Ca 0.00 -0.13 -0.65 0.00 2.06 0.00 0.00 58.89 60.17 3ekq h TRP 6 Cb 1.01 -0.19 -0.12 0.00 -1.00 0.00 0.00 29.16 28.85 3ekq h TRP 6 CO 0.20 0.77 -0.53 0.15 -3.56 0.00 0.00 178.44 175.46 3ekq s LYS 7 N -4.76 2.12 0.23 0.49 1.02 -1.26 -5.11 119.74 112.47 3ekq s LYS 7 Ca -0.09 -2.24 -0.31 0.00 0.02 0.00 0.00 55.97 53.35 3ekq s LYS 7 Cb 0.14 -1.63 -0.12 0.00 -0.52 0.00 0.00 37.83 35.70 3ekq s LYS 7 CO 0.81 -0.25 1.69 1.03 -0.92 0.00 0.00 175.35 177.71 3ekq s ARG 8 N -3.84 4.12 -1.17 1.68 0.52 -1.26 -4.86 118.95 114.14 3ekq s ARG 8 Ca 0.20 2.60 -0.16 0.00 -0.52 0.00 0.00 55.73 57.85 3ekq s ARG 8 Cb 0.04 -3.06 -0.06 0.00 0.52 0.00 0.00 34.95 32.40 3ekq s ARG 8 CO 0.11 -0.72 2.18 -0.35 0.02 0.00 0.00 175.30 176.53 3ekq n PRO 9 N 3.53 2.36 -3.99 3.54 -0.04 -1.26 -4.92 135.00 134.22 3ekq n PRO 9 Ca 0.14 -2.17 -0.36 0.00 -0.04 0.00 0.00 63.50 61.07 3ekq n PRO 9 Cb 0.36 -3.02 -0.07 0.00 -0.04 0.00 0.00 33.50 30.72 3ekq n PRO 9 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3ekq s ILE 10 N 3.79 5.16 0.17 0.52 -4.36 -1.26 -1.42 121.20 123.80 3ekq s ILE 10 Ca 0.52 0.08 0.03 0.00 -0.26 0.00 0.00 60.65 61.03 3ekq s ILE 10 Cb 0.14 -3.25 -0.05 0.00 1.25 0.00 0.00 42.46 40.55 3ekq s ILE 10 CO -0.00 0.58 -0.04 0.68 0.24 0.00 0.00 174.94 176.40 3ekq s VAL 11 N -0.73 0.96 0.05 8.37 -7.23 -0.27 -4.92 120.40 116.63 3ekq s VAL 11 Ca 0.13 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 3ekq s VAL 11 Cb -0.12 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3ekq s VAL 11 CO 0.03 -0.57 1.13 -0.89 -0.31 0.00 0.00 175.10 174.48 3ekq s THR 12 N -3.47 4.27 0.20 5.32 2.01 -1.26 -1.13 115.64 121.58 3ekq s THR 12 Ca 0.21 1.65 0.10 0.00 0.31 0.00 0.00 61.69 63.97 3ekq s THR 12 Cb 0.05 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3ekq s THR 12 CO 0.03 0.14 -0.16 0.27 -0.69 0.00 0.00 174.62 174.21 3ekq s ILE 13 N 0.96 2.77 -0.08 1.82 -4.36 0.41 -2.17 121.20 120.56 3ekq s ILE 13 Ca 0.56 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 59.07 3ekq s ILE 13 Cb -0.27 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.09 3ekq s ILE 13 CO 0.29 -0.15 -0.09 -0.13 0.24 0.00 0.00 174.94 175.11 3ekq s ARG 14 N -2.85 1.48 -0.10 0.37 3.00 -0.07 -0.46 118.95 120.31 3ekq s ARG 14 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 55.73 55.63 3ekq s ARG 14 Cb -0.08 -1.38 0.05 0.00 0.00 0.00 0.00 34.95 33.54 3ekq s ARG 14 CO 0.13 -0.11 0.23 -1.50 0.00 0.00 0.00 175.30 174.04 3ekq s ILE 15 N 1.14 -0.17 -1.71 1.52 2.07 -0.46 0.07 121.20 123.66 3ekq s ILE 15 Ca -0.06 0.21 -0.19 0.00 -1.41 0.00 0.00 60.65 59.21 3ekq s ILE 15 Cb -0.14 -0.37 0.16 0.00 0.13 0.00 0.00 42.46 42.24 3ekq s ILE 15 CO -0.02 0.09 0.78 0.61 -1.91 0.00 0.00 174.94 174.49 3ekq n GLY 16 N 4.67 -0.45 2.94 1.50 0.00 -1.26 0.58 105.19 113.17 3ekq n GLY 16 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.36 0.59 3.76 -0.02 0.00 -1.26 -5.02 105.19 101.88 3ekq n GLY 17 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.38 4.19 -0.34 1.61 -1.52 0.20 -5.07 119.66 118.35 3ekq s GLN 18 Ca 0.00 0.33 -0.13 0.00 -1.95 0.00 0.00 55.36 53.61 3ekq s GLN 18 Cb 0.00 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 3ekq s GLN 18 CO 0.00 0.33 0.23 -1.17 -0.25 0.00 0.00 175.29 174.44 3ekq s LEU 19 N 0.10 4.48 0.12 2.90 0.20 -1.26 -1.36 118.68 123.85 3ekq s LEU 19 Ca 0.22 -0.41 -0.01 0.00 0.69 0.00 0.00 54.13 54.62 3ekq s LEU 19 Cb -0.15 -2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 43.44 3ekq s LEU 19 CO 0.09 -0.22 0.04 -0.54 -0.29 0.00 0.00 176.35 175.42 3ekq s LYS 20 N 1.72 0.87 -0.03 1.98 1.02 0.39 -5.00 119.74 120.69 3ekq s LYS 20 Ca 0.06 -1.40 0.01 0.00 0.02 0.00 0.00 55.97 54.66 3ekq s LYS 20 Cb -0.17 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 3ekq s LYS 20 CO 0.10 -0.23 -0.03 -1.21 -0.92 0.00 0.00 175.35 173.07 3ekq s GLU 21 N -4.02 2.78 0.02 1.68 0.41 -1.26 0.16 118.70 118.47 3ekq s GLU 21 Ca 0.21 -0.57 -0.07 0.00 -0.41 0.00 0.00 54.97 54.13 3ekq s GLU 21 Cb 0.08 -2.65 -0.00 0.00 -1.78 0.00 0.00 34.13 29.77 3ekq s GLU 21 CO -0.00 0.65 0.13 0.00 -0.49 0.00 0.00 175.26 175.54 3ekq s ALA 22 N -0.96 -0.22 -0.02 5.21 0.00 -0.29 -4.40 121.76 121.09 3ekq s ALA 22 Ca 0.16 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 3ekq s ALA 22 Cb -0.11 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3ekq s ALA 22 CO 0.06 -0.28 0.95 -0.51 0.00 0.00 0.00 175.76 175.97 3ekq s LEU 23 N -1.83 4.35 -0.60 0.00 1.43 0.67 -1.11 118.68 121.59 3ekq s LEU 23 Ca -0.09 1.58 -0.27 0.00 -1.03 0.00 0.00 54.13 54.33 3ekq s LEU 23 Cb -0.04 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.71 3ekq s LEU 23 CO -0.02 -0.26 1.13 -0.76 0.23 0.00 0.00 176.35 176.67 3ekq s LEU 24 N 1.08 3.62 -0.34 1.79 1.43 -0.51 0.41 118.68 126.16 3ekq s LEU 24 Ca 0.50 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3ekq s LEU 24 Cb -0.20 -2.94 0.10 0.00 0.03 0.00 0.00 46.19 43.18 3ekq s LEU 24 CO 0.26 -1.47 0.08 -0.62 0.23 0.00 0.00 176.35 174.82 3ekq s ASP 25 N 3.10 4.52 0.38 2.29 -1.08 -0.40 -4.78 116.67 120.70 3ekq s ASP 25 Ca 0.37 -2.07 0.28 0.00 -0.52 0.00 0.00 52.55 50.61 3ekq s ASP 25 Cb -0.09 -1.41 1.29 0.00 -1.46 0.00 0.00 42.92 41.25 3ekq s ASP 25 CO 0.21 -0.38 1.84 0.71 0.52 0.00 0.00 175.17 178.07 3ekq h THR 26 N 6.49 0.00 -0.00 1.71 1.35 -1.94 -2.57 112.91 117.95 3ekq h THR 26 Ca -0.07 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3ekq h THR 26 Cb 1.01 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 3ekq h THR 26 CO 0.51 0.00 -0.39 0.61 -0.25 0.00 0.00 175.52 176.01 3ekq n GLY 27 N -0.47 -1.14 3.67 5.82 0.00 -1.26 -4.82 105.19 106.98 3ekq n GLY 27 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.88 3.53 0.20 4.61 0.00 -0.97 -4.93 121.76 121.33 3ekq s ALA 28 Ca 0.15 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 3ekq s ALA 28 Cb 0.18 -2.94 0.16 0.00 0.00 0.00 0.00 23.12 20.52 3ekq s ALA 28 CO 0.64 -0.50 1.57 -0.44 0.00 0.00 0.00 175.76 177.03 3ekq h ASP 29 N 7.41 0.70 -2.31 0.00 3.32 -1.87 0.58 116.42 124.24 3ekq h ASP 29 Ca -0.33 -0.31 -0.59 0.00 0.02 0.00 0.00 57.03 55.83 3ekq h ASP 29 Cb 1.15 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.36 3ekq h ASP 29 CO 0.77 1.01 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.74 3ekq s ASP 30 N -6.84 3.47 -0.21 6.45 1.01 -1.26 -3.01 116.67 116.27 3ekq s ASP 30 Ca -0.08 -1.05 -0.15 0.00 0.71 0.00 0.00 52.55 51.97 3ekq s ASP 30 Cb 0.12 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 3ekq s ASP 30 CO 0.84 -0.02 0.37 -0.89 0.21 0.00 0.00 175.17 175.68 3ekq s THR 31 N -2.59 5.21 -0.18 -1.27 2.01 -1.26 -3.51 115.64 114.05 3ekq s THR 31 Ca 0.29 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.95 3ekq s THR 31 Cb -0.03 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.80 3ekq s THR 31 CO 0.14 0.25 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.49 3ekq s VAL 32 N 1.34 1.77 0.12 3.82 1.01 -0.38 -0.29 120.40 127.80 3ekq s VAL 32 Ca 0.18 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3ekq s VAL 32 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 3ekq s VAL 32 CO 0.08 0.39 0.08 -0.76 0.00 0.00 0.00 175.10 174.89 3ekq s LEU 33 N 1.38 3.70 1.22 3.92 1.43 0.37 0.30 118.68 131.00 3ekq s LEU 33 Ca 0.03 -0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 52.83 3ekq s LEU 33 Cb -0.14 -2.36 0.25 0.00 0.03 0.00 0.00 46.19 43.97 3ekq s LEU 33 CO -0.11 0.12 0.57 -0.62 0.23 0.00 0.00 176.35 176.54 3ekq n GLU 34 N 0.11 -2.91 -2.20 1.70 1.02 -1.26 -2.71 120.64 114.37 3ekq n GLU 34 Ca -0.09 -0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 55.80 3ekq n GLU 34 Cb 0.53 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 3ekq n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3ekq s GLU 35 N -4.13 4.42 -0.15 3.49 -6.30 -1.26 -4.56 118.70 110.21 3ekq s GLU 35 Ca 0.59 2.10 -0.30 0.00 -2.50 0.00 0.00 54.97 54.86 3ekq s GLU 35 Cb -0.15 -3.12 0.13 0.00 0.00 0.00 0.00 34.13 30.99 3ekq s GLU 35 CO 0.57 -0.13 0.99 0.00 0.02 0.00 0.00 175.26 176.71 3ekq s MET 36 N -1.29 0.60 -0.44 4.30 0.23 -1.26 -5.08 119.30 116.37 3ekq s MET 36 Ca 0.50 0.11 -0.28 0.00 -1.03 0.00 0.00 55.69 54.99 3ekq s MET 36 Cb -0.38 0.28 0.03 0.00 -1.53 0.00 0.00 34.83 33.23 3ekq s MET 36 CO 0.47 -0.20 1.07 0.54 -2.03 0.00 0.00 175.02 174.87 3ekq s ASN 37 N -1.23 6.66 0.18 -1.18 2.20 -1.26 -5.02 114.94 115.29 3ekq s ASN 37 Ca -0.01 0.51 0.05 0.00 -0.94 0.00 0.00 52.86 52.47 3ekq s ASN 37 Cb -0.00 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.69 3ekq s ASN 37 CO 0.01 -1.11 0.20 -0.76 -2.94 0.00 0.00 177.10 172.50 3ekq s LEU 38 N 4.09 3.98 0.68 3.54 1.43 -1.26 -5.12 118.68 126.02 3ekq s LEU 38 Ca 0.44 -0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 3ekq s LEU 38 Cb -0.09 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3ekq s LEU 38 CO 0.27 0.03 1.07 -2.16 0.23 0.00 0.00 176.35 175.79 3ekq s PRO 39 N -3.35 3.00 0.00 1.29 0.05 -1.26 -4.96 135.00 129.77 3ekq s PRO 39 Ca 0.32 0.48 0.00 0.00 0.05 0.00 0.00 61.00 61.85 3ekq s PRO 39 Cb -0.10 -2.05 0.00 0.00 0.05 0.00 0.00 34.50 32.40 3ekq s PRO 39 CO 0.25 -0.92 0.00 0.41 0.05 0.00 0.00 177.00 176.79 3ekq n GLY 40 N -2.93 -0.14 3.76 0.56 0.00 -1.26 -4.93 105.19 100.25 3ekq n GLY 40 Ca 0.07 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.20 4.70 -0.02 1.61 3.01 -1.26 -5.07 119.74 121.51 3ekq s LYS 41 Ca 0.00 1.33 0.05 0.00 -1.01 0.00 0.00 55.97 56.34 3ekq s LYS 41 Cb 0.00 -3.29 -0.03 0.00 -1.01 0.00 0.00 37.83 33.50 3ekq s LYS 41 CO 0.00 0.48 -0.17 1.67 0.51 0.00 0.00 175.35 177.84 3ekq s TRP 42 N -0.93 2.61 -0.11 3.18 1.48 -1.26 -4.56 118.94 119.35 3ekq s TRP 42 Ca 0.40 -0.22 -0.04 0.00 -1.06 0.00 0.00 56.10 55.17 3ekq s TRP 42 Cb -0.24 -1.57 -0.04 0.00 -1.16 0.00 0.00 33.47 30.46 3ekq s TRP 42 CO 0.29 0.17 0.04 0.15 -4.06 0.00 0.00 176.95 173.54 3ekq s LYS 43 N -0.88 3.22 0.48 3.25 -0.14 -0.83 -4.88 119.74 119.96 3ekq s LYS 43 Ca 0.12 -0.33 -0.24 0.00 -1.36 0.00 0.00 55.97 54.16 3ekq s LYS 43 Cb -0.10 -2.94 -0.07 0.00 -1.68 0.00 0.00 37.83 33.04 3ekq s LYS 43 CO 0.01 0.67 1.32 -1.25 -0.76 0.00 0.00 175.35 175.34 3ekq s PRO 44 N -0.76 3.56 -0.08 -1.68 0.04 -1.26 -0.07 135.00 134.74 3ekq s PRO 44 Ca 0.12 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 3ekq s PRO 44 Cb -0.12 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 31.97 3ekq s PRO 44 CO 0.03 -0.83 0.31 0.21 0.04 0.00 0.00 177.00 176.76 3ekq s LYS 45 N -2.63 0.48 -0.26 4.56 2.20 -0.63 -4.86 119.74 118.60 3ekq s LYS 45 Ca 0.65 0.20 -0.09 0.00 -0.36 0.00 0.00 55.97 56.37 3ekq s LYS 45 Cb -0.38 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 3ekq s LYS 45 CO 0.47 -0.09 0.12 -1.64 -0.36 0.00 0.00 175.35 173.84 3ekq s MET 46 N -0.40 3.78 0.10 4.03 -1.94 -1.26 -0.73 119.30 122.88 3ekq s MET 46 Ca -0.05 -0.41 0.10 0.00 -1.71 0.00 0.00 55.69 53.62 3ekq s MET 46 Cb -0.03 -3.46 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 3ekq s MET 46 CO 0.02 -0.19 -0.26 0.96 -0.01 0.00 0.00 175.02 175.54 3ekq s ILE 47 N 1.68 2.13 -0.08 2.53 -4.36 -0.35 -4.93 121.20 117.82 3ekq s ILE 47 Ca 0.07 -1.61 -0.24 0.00 -0.26 0.00 0.00 60.65 58.60 3ekq s ILE 47 Cb -0.15 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 3ekq s ILE 47 CO 0.07 0.14 0.72 -0.69 0.24 0.00 0.00 174.94 175.42 3ekq s VAL 48 N -1.00 5.02 0.33 8.37 1.01 -1.26 -0.60 120.40 132.28 3ekq s VAL 48 Ca 0.12 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.60 3ekq s VAL 48 Cb -0.10 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.24 3ekq s VAL 48 CO 0.05 0.22 0.14 0.61 0.00 0.00 0.00 175.10 176.12 3ekq n GLY 49 N 3.15 3.27 0.23 4.51 0.00 0.11 -4.97 105.19 111.48 3ekq n GLY 49 Ca -0.00 -2.28 0.08 0.00 0.00 0.00 0.00 46.02 43.82 3ekq n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ekq h ILE 50 N 0.85 0.89 -0.02 -0.61 2.10 -2.02 -2.45 117.51 116.25 3ekq h ILE 50 Ca -0.24 -0.78 0.00 0.00 1.08 0.00 0.00 64.86 64.92 3ekq h ILE 50 Cb 0.80 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.98 3ekq h ILE 50 CO 0.39 0.20 -0.02 0.61 -1.08 0.00 0.00 178.15 178.25 3ekq n GLY 51 N -0.67 0.33 0.00 8.18 0.00 -1.26 -5.06 105.19 106.71 3ekq n GLY 51 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.25 0.43 3.80 -0.02 0.00 -0.92 -5.09 105.19 104.64 3ekq n GLY 52 Ca 0.17 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.53 3.57 0.09 1.61 0.40 -1.26 -0.71 117.98 121.14 3ekq s PHE 53 Ca 0.00 1.63 0.05 0.00 -0.60 0.00 0.00 56.93 58.02 3ekq s PHE 53 Cb 0.00 -2.83 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 3ekq s PHE 53 CO 0.00 0.14 -0.14 0.14 0.70 0.00 0.00 175.22 176.06 3ekq s VAL 54 N -1.77 1.19 0.02 -0.44 -7.23 0.23 -4.92 120.40 107.48 3ekq s VAL 54 Ca 0.52 -1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 59.00 3ekq s VAL 54 Cb -0.15 -1.25 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 3ekq s VAL 54 CO 0.20 -0.30 0.68 -0.75 -0.31 0.00 0.00 175.10 174.62 3ekq s LYS 55 N -2.10 4.40 0.30 4.82 2.20 -1.26 -1.21 119.74 126.90 3ekq s LYS 55 Ca 0.02 0.89 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 3ekq s LYS 55 Cb -0.08 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 3ekq s LYS 55 CO 0.02 0.32 0.20 0.14 -0.36 0.00 0.00 175.35 175.68 3ekq s VAL 56 N -0.12 0.14 -0.10 4.02 -7.23 0.09 -4.53 120.40 112.67 3ekq s VAL 56 Ca 0.35 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.54 3ekq s VAL 56 Cb -0.19 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 3ekq s VAL 56 CO 0.20 0.00 -0.18 -0.13 -0.31 0.00 0.00 175.10 174.68 3ekq s ARG 57 N -3.71 3.09 -0.29 4.82 0.52 0.15 -1.61 118.95 121.92 3ekq s ARG 57 Ca 0.38 -0.77 -0.11 0.00 -0.52 0.00 0.00 55.73 54.71 3ekq s ARG 57 Cb 0.04 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3ekq s ARG 57 CO 0.21 0.27 0.20 -1.14 0.02 0.00 0.00 175.30 174.86 3ekq s GLN 58 N 0.16 3.80 -0.03 3.54 0.74 0.90 -0.38 119.66 128.39 3ekq s GLN 58 Ca -0.10 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 54.91 3ekq s GLN 58 Cb -0.16 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 3ekq s GLN 58 CO 0.06 -0.25 -0.05 0.71 -0.55 0.00 0.00 175.29 175.20 3ekq s TYR 59 N 1.74 2.95 0.26 1.67 1.51 0.02 -1.96 117.35 123.53 3ekq s TYR 59 Ca 0.07 0.02 0.08 0.00 -1.01 0.00 0.00 57.07 56.23 3ekq s TYR 59 Cb -0.16 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.98 3ekq s TYR 59 CO 0.10 0.37 0.10 -0.51 -1.11 0.00 0.00 175.55 174.51 3ekq s ASP 60 N -1.14 5.07 -1.58 2.29 1.01 -1.26 -0.67 116.67 120.39 3ekq s ASP 60 Ca 0.15 -0.43 -0.08 0.00 0.71 0.00 0.00 52.55 52.90 3ekq s ASP 60 Cb -0.11 -1.15 0.07 0.00 1.01 0.00 0.00 42.92 42.74 3ekq s ASP 60 CO 0.05 -0.02 0.41 0.00 0.21 0.00 0.00 175.17 175.82 3ekq n GLN 61 N -1.04 -2.26 -3.05 8.23 1.13 -1.12 -4.90 117.38 114.37 3ekq n GLN 61 Ca -0.07 0.27 -0.41 0.00 -1.94 0.00 0.00 57.00 54.85 3ekq n GLN 61 Cb 0.58 -4.42 -0.06 0.00 0.11 0.00 0.00 30.24 26.46 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 -3.83 4.95 0.29 5.09 -1.09 0.25 -4.70 121.20 122.17 3ekq s ILE 62 Ca 0.29 1.28 -0.28 0.00 -2.23 0.00 0.00 60.65 59.71 3ekq s ILE 62 Cb -0.16 -3.99 -0.09 0.00 -1.58 0.00 0.00 42.46 36.63 3ekq s ILE 62 CO 0.95 0.03 0.99 -2.84 -1.23 0.00 0.00 174.94 172.84 3ekq s PRO 63 N 2.38 4.67 -0.11 2.79 0.02 -1.26 -1.13 135.00 142.35 3ekq s PRO 63 Ca 0.30 1.52 -0.07 0.00 0.02 0.00 0.00 61.00 62.77 3ekq s PRO 63 Cb -0.16 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.35 3ekq s PRO 63 CO 0.09 0.32 0.28 -1.50 -0.33 0.00 0.00 177.00 175.86 3ekq s ILE 64 N -1.34 -0.03 -0.28 2.83 2.07 0.15 -4.48 121.20 120.12 3ekq s ILE 64 Ca 0.46 0.10 -0.17 0.00 -1.41 0.00 0.00 60.65 59.63 3ekq s ILE 64 Cb -0.25 -0.41 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 3ekq s ILE 64 CO 0.32 0.04 0.48 -0.70 -1.91 0.00 0.00 174.94 173.16 3ekq s GLU 65 N 0.97 3.97 -0.35 3.50 2.12 0.11 -0.84 118.70 128.19 3ekq s GLU 65 Ca -0.07 0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 3ekq s GLU 65 Cb -0.08 -3.68 0.06 0.00 0.26 0.00 0.00 34.13 30.70 3ekq s GLU 65 CO -0.07 -0.39 0.11 0.42 -0.54 0.00 0.00 175.26 174.79 3ekq s ILE 66 N 2.26 3.42 -1.48 -3.70 1.01 0.95 -0.89 121.20 122.78 3ekq s ILE 66 Ca 0.19 -1.48 -0.07 0.00 0.00 0.00 0.00 60.65 59.29 3ekq s ILE 66 Cb -0.16 -3.06 0.03 0.00 0.01 0.00 0.00 42.46 39.28 3ekq s ILE 66 CO 0.10 -0.31 0.73 0.00 0.00 0.00 0.00 174.94 175.46 3ekq n GLY 68 N -1.57 0.60 3.19 0.00 0.00 -1.26 -5.04 105.19 101.11 3ekq n GLY 68 Ca -0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 2.42 0.05 1.61 4.02 -0.07 -5.11 115.29 116.21 3ekq s HIS 69 Ca 0.00 -0.99 -0.30 0.00 1.02 0.00 0.00 55.06 54.79 3ekq s HIS 69 Cb 0.00 -1.63 -0.05 0.00 -1.02 0.00 0.00 32.58 29.88 3ekq s HIS 69 CO 0.00 -0.41 1.06 -1.59 1.02 0.00 0.00 174.74 174.83 3ekq s LYS 70 N 0.40 4.54 0.04 1.40 0.00 -1.26 -0.03 119.74 124.82 3ekq s LYS 70 Ca -0.18 1.57 0.02 0.00 0.00 0.00 0.00 55.97 57.38 3ekq s LYS 70 Cb -0.18 -3.39 -0.02 0.00 0.00 0.00 0.00 37.83 34.24 3ekq s LYS 70 CO 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 175.35 175.29 3ekq s ALA 71 N 0.77 0.46 -0.07 0.59 0.00 -0.02 -4.81 121.76 118.68 3ekq s ALA 71 Ca 0.53 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 3ekq s ALA 71 Cb -0.25 0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.98 3ekq s ALA 71 CO 0.29 -0.05 0.14 0.42 0.00 0.00 0.00 175.76 176.56 3ekq s ILE 72 N -1.36 -0.19 -0.38 0.00 1.01 -1.26 0.29 121.20 119.30 3ekq s ILE 72 Ca -0.11 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3ekq s ILE 72 Cb -0.10 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3ekq s ILE 72 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 3ekq n GLY 73 N 5.03 -0.59 3.73 6.18 0.00 -0.28 -4.86 105.19 114.40 3ekq n GLY 73 Ca -0.10 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.14 4.30 -0.07 2.61 2.01 -1.26 -0.58 115.64 119.51 3ekq s THR 74 Ca 0.00 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.85 3ekq s THR 74 Cb 0.00 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.36 3ekq s THR 74 CO 0.00 0.24 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 3ekq s VAL 75 N 0.30 1.14 -0.08 3.82 1.01 0.15 -4.52 120.40 122.22 3ekq s VAL 75 Ca 0.51 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 3ekq s VAL 75 Cb -0.26 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3ekq s VAL 75 CO 0.31 0.36 0.15 -0.76 0.00 0.00 0.00 175.10 175.16 3ekq s LEU 76 N 0.82 4.34 -0.08 3.92 1.43 0.60 -0.80 118.68 128.90 3ekq s LEU 76 Ca -0.12 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3ekq s LEU 76 Cb -0.15 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.86 3ekq s LEU 76 CO 0.02 0.36 -0.13 -0.69 0.23 0.00 0.00 176.35 176.14 3ekq s VAL 77 N -1.11 1.25 0.00 -1.59 1.01 0.49 -0.48 120.40 119.97 3ekq s VAL 77 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3ekq s VAL 77 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3ekq s VAL 77 CO 0.08 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3ekq n GLY 78 N 4.07 1.14 3.55 4.51 0.00 -1.10 0.33 105.19 117.69 3ekq n GLY 78 Ca -0.20 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 3ekq n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ekq s PRO 79 N -1.48 3.85 0.03 1.61 0.04 -1.26 -4.02 135.00 133.77 3ekq s PRO 79 Ca 0.00 -1.77 0.07 0.00 0.04 0.00 0.00 61.00 59.33 3ekq s PRO 79 Cb 0.00 -5.40 -0.03 0.00 0.04 0.00 0.00 34.50 29.11 3ekq s PRO 79 CO 0.00 -2.16 -0.17 -0.08 0.04 0.00 0.00 177.00 174.62 3ekq s THR 80 N 4.09 2.83 -1.47 1.26 -1.32 -1.26 -5.02 115.64 114.76 3ekq s THR 80 Ca 0.49 -1.12 0.28 0.00 -1.21 0.00 0.00 61.69 60.13 3ekq s THR 80 Cb 0.02 -2.18 0.51 0.00 -1.51 0.00 0.00 72.50 69.34 3ekq s THR 80 CO 0.01 0.37 1.97 -0.81 -2.21 0.00 0.00 174.62 173.95 3ekq n PRO 81 N 1.66 0.43 -3.73 7.08 -0.05 -1.26 -4.70 135.00 134.42 3ekq n PRO 81 Ca -0.16 0.02 -0.13 0.00 -0.05 0.00 0.00 63.50 63.17 3ekq n PRO 81 Cb 0.52 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.38 3ekq n PRO 81 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 3ekq s THR 82 N -2.53 0.02 0.05 0.52 -1.32 -1.26 -5.09 115.64 106.03 3ekq s THR 82 Ca 0.27 -0.18 -0.31 0.00 -1.21 0.00 0.00 61.69 60.26 3ekq s THR 82 Cb 0.19 -0.60 -0.08 0.00 -1.51 0.00 0.00 72.50 70.50 3ekq s THR 82 CO 0.42 -0.10 1.58 0.20 -2.21 0.00 0.00 174.62 174.51 3ekq s ASN 83 N -0.47 6.67 -0.11 8.08 0.01 -1.26 -4.55 114.94 123.30 3ekq s ASN 83 Ca -0.06 2.39 0.02 0.00 -0.71 0.00 0.00 52.86 54.51 3ekq s ASN 83 Cb -0.04 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.07 3ekq s ASN 83 CO 0.03 -0.84 -0.18 -0.63 -1.51 0.00 0.00 177.10 173.97 3ekq s ILE 84 N 2.52 1.69 -0.32 0.60 1.01 0.15 -0.24 121.20 126.61 3ekq s ILE 84 Ca 0.71 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 3ekq s ILE 84 Cb -0.38 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3ekq s ILE 84 CO 0.31 0.48 0.20 -0.63 0.00 0.00 0.00 174.94 175.29 3ekq s ILE 85 N 0.79 4.99 0.60 2.92 -1.09 0.17 -1.24 121.20 128.33 3ekq s ILE 85 Ca -0.10 -0.26 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 3ekq s ILE 85 Cb -0.16 -3.54 0.09 0.00 -1.58 0.00 0.00 42.46 37.28 3ekq s ILE 85 CO 0.01 0.05 0.82 -0.83 -1.23 0.00 0.00 174.94 173.76 3ekq s GLY 86 N 1.68 1.76 0.37 6.18 0.00 -1.23 -1.28 107.32 114.80 3ekq s GLY 86 Ca 0.06 -1.97 0.09 0.00 0.00 0.00 0.00 44.72 42.90 3ekq s GLY 86 CO 0.09 -1.51 1.91 3.21 0.00 0.00 0.00 173.10 176.80 3ekq h ARG 87 N 0.03 0.66 -1.00 2.90 3.08 -0.93 -0.45 114.38 118.67 3ekq h ARG 87 Ca -0.33 -0.04 0.21 0.00 0.07 0.00 0.00 59.98 59.90 3ekq h ARG 87 Cb 1.28 -0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.08 3ekq h ARG 87 CO 0.41 0.44 0.62 -2.95 -1.07 0.00 0.00 179.97 177.42 3ekq h ASN 88 N 0.68 0.67 0.15 7.04 -1.07 -1.80 -1.24 115.58 120.01 3ekq h ASN 88 Ca 0.38 0.10 -0.19 0.00 0.07 0.00 0.00 56.30 56.66 3ekq h ASN 88 Cb 0.56 -0.02 -0.04 0.00 -2.07 0.00 0.00 38.32 36.75 3ekq h ASN 88 CO -0.15 0.20 -2.04 0.18 0.07 0.00 0.00 177.43 175.69 3ekq n LEU 89 N -4.74 0.19 -0.06 6.14 4.77 -0.70 -4.28 117.00 118.32 3ekq n LEU 89 Ca 0.24 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 3ekq n LEU 89 Cb 0.67 0.23 0.18 0.00 -2.33 0.00 0.00 43.42 42.16 3ekq n LEU 89 CO 0.22 0.24 0.82 -0.07 -1.33 0.00 0.00 177.39 177.27 3ekq h LEU 90 N 0.00 0.65 -1.27 2.23 3.38 -0.61 -2.31 115.31 117.39 3ekq h LEU 90 Ca -0.27 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.46 3ekq h LEU 90 Cb 1.65 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 3ekq h LEU 90 CO 0.02 0.79 -0.13 0.71 0.09 0.00 0.00 178.44 179.92 3ekq h THR 91 N 0.61 1.20 0.00 0.22 1.35 -1.44 -2.08 112.91 112.77 3ekq h THR 91 Ca 0.11 -0.89 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 3ekq h THR 91 Cb 0.54 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3ekq h THR 91 CO 0.03 0.28 -0.18 1.56 -0.25 0.00 0.00 175.52 176.97 3ekq h GLN 92 N 0.32 0.00 -0.48 4.72 4.20 -1.60 -2.62 115.11 119.65 3ekq h GLN 92 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ekq h GLN 92 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3ekq h GLN 92 CO 0.02 0.18 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 3ekq n ILE 93 N -3.52 0.89 -1.50 2.54 -5.35 -1.14 -4.96 119.36 106.33 3ekq n ILE 93 Ca -0.01 -0.94 -0.04 0.00 -0.27 0.00 0.00 62.75 61.49 3ekq n ILE 93 Cb 0.33 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.82 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 1.07 0.49 3.69 3.28 0.00 -0.99 -4.99 105.19 107.74 3ekq n GLY 94 Ca 0.17 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 2.28 2.50 -0.08 0.00 -4.23 -1.26 -4.70 115.64 110.16 3ekq s THR 96 Ca 0.63 -2.33 -0.16 0.00 -1.18 0.00 0.00 61.69 58.65 3ekq s THR 96 Cb -0.31 -2.30 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 3ekq s THR 96 CO 0.26 -0.35 0.41 -0.76 -0.54 0.00 0.00 174.62 173.64 3ekq s LEU 97 N -3.38 4.35 -0.02 4.79 1.43 -1.26 -5.08 118.68 119.51 3ekq s LEU 97 Ca 0.29 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 3ekq s LEU 97 Cb -0.06 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 3ekq s LEU 97 CO 0.14 0.16 -0.11 0.20 0.23 0.00 0.00 176.35 176.97 3ekq s ASN 98 N -0.13 1.42 0.00 2.29 -0.87 -1.26 -5.29 114.94 111.10 3ekq s ASN 98 Ca 0.23 -0.22 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 3ekq s ASN 98 Cb -0.15 -0.31 0.00 0.00 -0.02 0.00 0.00 41.25 40.76 3ekq s ASN 98 CO 0.10 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.96