#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekw s GLN 2 N 0.00 3.75 -0.16 0.54 0.74 -1.26 -5.10 119.66 118.17 3ekw s GLN 2 Ca 0.00 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.01 3ekw s GLN 2 Cb 0.00 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 31.07 3ekw s GLN 2 CO 0.00 0.32 -0.20 0.42 -0.55 0.00 0.00 175.29 175.28 3ekw s ILE 3 N 0.20 1.98 0.77 -2.34 1.01 -1.26 -5.12 121.20 116.43 3ekw s ILE 3 Ca 0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 3ekw s ILE 3 Cb -0.13 -1.78 0.11 0.00 0.01 0.00 0.00 42.46 40.67 3ekw s ILE 3 CO 0.01 0.53 1.09 0.42 0.00 0.00 0.00 174.94 176.99 3ekw s THR 4 N 1.19 2.17 -0.09 2.92 -4.23 -1.26 -5.04 115.64 111.30 3ekw s THR 4 Ca 0.02 -0.27 0.13 0.00 -1.18 0.00 0.00 61.69 60.38 3ekw s THR 4 Cb -0.14 -2.90 0.20 0.00 1.34 0.00 0.00 72.50 71.00 3ekw s THR 4 CO -0.10 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.25 3ekw n LEU 5 N -3.11 1.94 -0.14 4.79 4.77 -1.26 -4.63 117.00 119.36 3ekw n LEU 5 Ca 0.11 -2.57 -0.00 0.00 -0.03 0.00 0.00 56.01 53.52 3ekw n LEU 5 Cb 0.60 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.65 3ekw n LEU 5 CO 0.48 0.60 1.11 -0.50 -1.33 0.00 0.00 177.39 177.76 3ekw h TRP 6 N 0.00 0.83 -1.81 -1.77 4.06 -2.07 -3.43 115.95 111.76 3ekw h TRP 6 Ca 0.00 -0.02 -0.61 0.00 2.06 0.00 0.00 58.89 60.31 3ekw h TRP 6 Cb 0.97 -0.26 -0.13 0.00 -1.00 0.00 0.00 29.16 28.74 3ekw h TRP 6 CO 0.01 0.60 -0.63 0.15 -3.56 0.00 0.00 178.44 175.01 3ekw s LYS 7 N -5.51 1.94 0.25 0.49 1.02 -1.26 -5.10 119.74 111.56 3ekw s LYS 7 Ca -0.10 -1.97 -0.31 0.00 0.02 0.00 0.00 55.97 53.61 3ekw s LYS 7 Cb 0.17 -1.73 -0.12 0.00 -0.52 0.00 0.00 37.83 35.62 3ekw s LYS 7 CO 0.78 0.05 1.57 0.54 -0.92 0.00 0.00 175.35 177.38 3ekw n ARG 8 N -0.91 2.48 -1.75 1.68 1.74 -1.26 -4.84 116.66 113.80 3ekw n ARG 8 Ca -0.05 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.51 3ekw n ARG 8 Cb 0.65 -2.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.42 3ekw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ekw n PRO 9 N 2.62 2.50 -3.60 5.56 -0.04 -1.26 -4.92 135.00 135.86 3ekw n PRO 9 Ca 0.12 -2.52 -0.36 0.00 -0.04 0.00 0.00 63.50 60.70 3ekw n PRO 9 Cb 0.34 -3.26 -0.07 0.00 -0.04 0.00 0.00 33.50 30.47 3ekw n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ekw s ILE 10 N 4.29 5.33 0.16 0.52 1.01 -1.26 -1.02 121.20 130.24 3ekw s ILE 10 Ca 0.52 0.45 0.05 0.00 0.00 0.00 0.00 60.65 61.67 3ekw s ILE 10 Cb 0.12 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3ekw s ILE 10 CO 0.00 0.41 -0.10 0.68 0.00 0.00 0.00 174.94 175.93 3ekw s VAL 11 N 0.37 1.27 0.11 2.92 -7.23 0.01 -4.92 120.40 112.94 3ekw s VAL 11 Ca 0.14 -2.09 -0.27 0.00 -1.81 0.00 0.00 61.98 57.95 3ekw s VAL 11 Cb -0.12 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 3ekw s VAL 11 CO 0.02 -0.69 0.84 -0.89 -0.31 0.00 0.00 175.10 174.07 3ekw s THR 12 N -3.26 4.51 0.22 5.32 2.01 -1.26 -0.89 115.64 122.28 3ekw s THR 12 Ca 0.18 1.82 0.10 0.00 0.31 0.00 0.00 61.69 64.11 3ekw s THR 12 Cb 0.02 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 3ekw s THR 12 CO 0.02 0.41 -0.20 0.27 -0.69 0.00 0.00 174.62 174.43 3ekw s ILE 13 N -0.44 2.19 -0.10 1.82 -4.36 0.11 -2.47 121.20 117.96 3ekw s ILE 13 Ca 0.40 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.64 3ekw s ILE 13 Cb -0.23 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.38 3ekw s ILE 13 CO 0.27 -0.34 -0.14 -0.60 0.24 0.00 0.00 174.94 174.37 3ekw s ARG 14 N -3.16 2.06 -0.10 0.37 3.52 0.08 -1.24 118.95 120.49 3ekw s ARG 14 Ca 0.23 -0.51 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3ekw s ARG 14 Cb -0.05 -1.76 0.05 0.00 -1.56 0.00 0.00 34.95 31.63 3ekw s ARG 14 CO 0.11 -0.05 0.21 -1.50 -0.81 0.00 0.00 175.30 173.26 3ekw s ILE 15 N 0.95 -0.14 -1.27 4.11 2.07 -0.16 -0.75 121.20 126.00 3ekw s ILE 15 Ca -0.08 0.21 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3ekw s ILE 15 Cb -0.15 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.09 3ekw s ILE 15 CO -0.00 0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.72 3ekw n GLY 16 N 4.58 -0.50 2.73 1.50 0.00 -1.26 -0.45 105.19 111.79 3ekw n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3ekw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekw n GLY 17 N -0.87 0.84 3.72 -0.02 0.00 -1.26 -5.02 105.19 102.57 3ekw n GLY 17 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3ekw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ekw s GLN 18 N -0.03 3.47 -0.16 1.61 -1.52 0.40 -5.10 119.66 118.34 3ekw s GLN 18 Ca 0.00 -0.31 -0.11 0.00 -1.95 0.00 0.00 55.36 52.99 3ekw s GLN 18 Cb 0.00 -3.05 -0.05 0.00 -0.22 0.00 0.00 33.01 29.69 3ekw s GLN 18 CO 0.00 0.57 0.22 -0.51 -0.25 0.00 0.00 175.29 175.32 3ekw s LEU 19 N -0.47 4.27 0.10 2.90 1.43 -1.26 -0.99 118.68 124.66 3ekw s LEU 19 Ca 0.10 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3ekw s LEU 19 Cb -0.12 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3ekw s LEU 19 CO 0.02 0.19 0.04 -0.54 0.23 0.00 0.00 176.35 176.29 3ekw s LYS 20 N 0.07 0.80 -0.15 1.70 1.02 -0.37 -4.98 119.74 117.83 3ekw s LYS 20 Ca 0.14 -1.30 -0.06 0.00 0.02 0.00 0.00 55.97 54.77 3ekw s LYS 20 Cb -0.12 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 3ekw s LYS 20 CO 0.03 -0.21 0.05 -1.21 -0.92 0.00 0.00 175.35 173.09 3ekw s GLU 21 N -3.98 3.65 0.03 1.68 0.41 -1.26 0.07 118.70 119.30 3ekw s GLU 21 Ca 0.15 -0.35 -0.03 0.00 -0.41 0.00 0.00 54.97 54.34 3ekw s GLU 21 Cb 0.07 -3.08 -0.02 0.00 -1.78 0.00 0.00 34.13 29.32 3ekw s GLU 21 CO -0.04 0.43 0.03 0.00 -0.49 0.00 0.00 175.26 175.19 3ekw s ALA 22 N -0.10 0.06 -0.19 5.21 0.00 -0.07 -4.65 121.76 122.03 3ekw s ALA 22 Ca 0.06 -0.61 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 3ekw s ALA 22 Cb -0.12 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3ekw s ALA 22 CO 0.01 -0.25 0.58 -1.17 0.00 0.00 0.00 175.76 174.94 3ekw s LEU 23 N -1.87 4.16 -0.31 0.00 2.96 0.01 -0.80 118.68 122.82 3ekw s LEU 23 Ca -0.09 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 3ekw s LEU 23 Cb -0.04 -2.81 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 3ekw s LEU 23 CO -0.03 -0.22 1.36 -0.76 -1.32 0.00 0.00 176.35 175.38 3ekw s LEU 24 N 1.71 3.83 -0.43 -0.68 1.43 -0.19 -0.48 118.68 123.88 3ekw s LEU 24 Ca 0.27 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 3ekw s LEU 24 Cb -0.16 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.65 3ekw s LEU 24 CO 0.10 -1.16 0.21 -0.62 0.23 0.00 0.00 176.35 175.11 3ekw s ASP 25 N 3.15 3.91 0.39 2.29 -1.08 -0.05 -4.80 116.67 120.48 3ekw s ASP 25 Ca 0.59 -2.53 0.28 0.00 -0.52 0.00 0.00 52.55 50.37 3ekw s ASP 25 Cb -0.17 -1.17 1.19 0.00 -1.46 0.00 0.00 42.92 41.31 3ekw s ASP 25 CO 0.25 -0.29 1.84 0.71 0.52 0.00 0.00 175.17 178.20 3ekw h THR 26 N 5.56 0.00 -0.23 1.71 1.35 -1.93 -2.32 112.91 117.05 3ekw h THR 26 Ca -0.04 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3ekw h THR 26 Cb 0.94 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3ekw h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3ekw n GLY 27 N -0.06 0.10 3.20 5.82 0.00 -1.26 -4.82 105.19 108.18 3ekw n GLY 27 Ca 0.01 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3ekw n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekw s ALA 28 N -1.69 2.40 0.23 4.61 0.00 -0.87 -5.00 121.76 121.44 3ekw s ALA 28 Ca 0.17 -1.11 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3ekw s ALA 28 Cb 0.09 -1.17 0.22 0.00 0.00 0.00 0.00 23.12 22.26 3ekw s ALA 28 CO 0.12 -0.14 1.75 -0.44 0.00 0.00 0.00 175.76 177.06 3ekw h ASP 29 N 7.52 0.96 -1.93 0.00 5.19 -1.87 0.13 116.42 126.42 3ekw h ASP 29 Ca -0.36 -0.20 -0.61 0.00 -0.62 0.00 0.00 57.03 55.24 3ekw h ASP 29 Cb 1.18 -0.25 -0.13 0.00 0.18 0.00 0.00 39.33 40.31 3ekw h ASP 29 CO 0.58 0.94 -0.66 -1.81 -3.12 0.00 0.00 179.24 175.17 3ekw s ASP 30 N -6.52 3.88 -0.21 6.45 1.01 -1.26 -2.94 116.67 117.08 3ekw s ASP 30 Ca -0.11 -1.13 -0.10 0.00 0.71 0.00 0.00 52.55 51.92 3ekw s ASP 30 Cb 0.15 -0.41 -0.05 0.00 1.01 0.00 0.00 42.92 43.62 3ekw s ASP 30 CO 0.83 -0.22 0.13 -0.89 0.21 0.00 0.00 175.17 175.24 3ekw s THR 31 N -2.58 5.33 -0.10 -1.27 2.01 -1.26 -3.11 115.64 114.66 3ekw s THR 31 Ca 0.33 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 3ekw s THR 31 Cb 0.02 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 69.11 3ekw s THR 31 CO 0.17 0.41 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 3ekw s VAL 32 N 0.61 0.67 0.18 3.82 1.01 -0.23 -0.76 120.40 125.70 3ekw s VAL 32 Ca 0.07 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.04 3ekw s VAL 32 Cb -0.12 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3ekw s VAL 32 CO 0.00 0.27 -0.12 -0.76 0.00 0.00 0.00 175.10 174.50 3ekw s LEU 33 N 1.85 2.90 0.92 3.92 1.43 0.09 -0.46 118.68 129.32 3ekw s LEU 33 Ca 0.04 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 3ekw s LEU 33 Cb -0.13 -1.59 0.12 0.00 0.03 0.00 0.00 46.19 44.63 3ekw s LEU 33 CO -0.07 0.11 0.99 -0.62 0.23 0.00 0.00 176.35 176.99 3ekw n GLU 34 N 0.07 -0.39 -1.54 1.70 1.02 -1.26 -1.76 120.64 118.48 3ekw n GLU 34 Ca -0.11 -0.05 -0.57 0.00 -0.02 0.00 0.00 57.16 56.41 3ekw n GLU 34 Cb 0.55 -2.27 -0.07 0.00 -0.02 0.00 0.00 31.44 29.63 3ekw n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ekw n GLU 35 N -3.66 0.34 -3.55 3.49 4.07 -1.19 -4.53 120.64 115.61 3ekw n GLU 35 Ca 0.11 0.12 -0.08 0.00 -0.06 0.00 0.00 57.16 57.26 3ekw n GLU 35 Cb 0.52 -1.66 -0.02 0.00 -0.06 0.00 0.00 31.44 30.22 3ekw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ekw s MET 36 N 0.27 0.94 -0.25 5.31 0.23 -1.26 -5.02 119.30 119.52 3ekw s MET 36 Ca 0.90 -0.39 -0.14 0.00 -1.03 0.00 0.00 55.69 55.02 3ekw s MET 36 Cb -1.19 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 32.48 3ekw s MET 36 CO 0.55 -0.42 0.32 -0.80 -2.03 0.00 0.00 175.02 172.64 3ekw s ASN 37 N -2.60 6.24 0.21 -1.18 0.02 -1.26 -5.02 114.94 111.36 3ekw s ASN 37 Ca 0.06 0.28 0.11 0.00 -1.02 0.00 0.00 52.86 52.29 3ekw s ASN 37 Cb -0.01 -2.19 -0.05 0.00 0.02 0.00 0.00 41.25 39.03 3ekw s ASN 37 CO -0.07 -0.10 -0.21 -0.76 0.02 0.00 0.00 177.10 175.98 3ekw s LEU 38 N 1.69 2.49 0.47 0.60 1.43 -1.26 -5.09 118.68 119.00 3ekw s LEU 38 Ca 0.14 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 52.10 3ekw s LEU 38 Cb -0.15 -1.05 -0.09 0.00 0.03 0.00 0.00 46.19 44.93 3ekw s LEU 38 CO 0.09 0.05 1.02 -2.16 0.23 0.00 0.00 176.35 175.58 3ekw s PRO 39 N -3.02 3.92 0.75 1.29 0.05 -1.26 -4.95 135.00 131.78 3ekw s PRO 39 Ca 0.23 1.33 0.00 0.00 0.05 0.00 0.00 61.00 62.61 3ekw s PRO 39 Cb -0.06 -2.16 0.00 0.00 0.05 0.00 0.00 34.50 32.33 3ekw s PRO 39 CO 0.11 -0.33 0.00 0.41 0.05 0.00 0.00 177.00 177.24 3ekw n GLY 40 N -0.25 -2.00 3.59 0.56 0.00 -1.26 -4.86 105.19 100.98 3ekw n GLY 40 Ca 0.08 -1.59 -0.52 0.00 0.00 0.00 0.00 46.02 44.00 3ekw n GLY 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ekw n LYS 41 N 0.00 1.15 -4.18 1.61 -0.00 -1.26 -5.02 118.16 110.46 3ekw n LYS 41 Ca 0.00 0.41 -0.15 0.00 -0.00 0.00 0.00 58.31 58.57 3ekw n LYS 41 Cb 0.00 -2.06 -0.11 0.00 -0.00 0.00 0.00 35.03 32.86 3ekw n LYS 41 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 3ekw s TRP 42 N 0.48 1.10 -0.09 5.58 1.48 -1.26 -4.65 118.94 121.59 3ekw s TRP 42 Ca 0.84 -0.62 0.04 0.00 -1.06 0.00 0.00 56.10 55.30 3ekw s TRP 42 Cb -0.95 -0.60 -0.01 0.00 -1.16 0.00 0.00 33.47 30.75 3ekw s TRP 42 CO 0.47 0.02 -0.21 0.15 -4.06 0.00 0.00 176.95 173.32 3ekw s LYS 43 N -2.62 2.89 0.35 3.25 -0.14 -0.90 -4.90 119.74 117.66 3ekw s LYS 43 Ca 0.04 -0.82 -0.28 0.00 -1.36 0.00 0.00 55.97 53.55 3ekw s LYS 43 Cb -0.04 -2.34 -0.11 0.00 -1.68 0.00 0.00 37.83 33.67 3ekw s LYS 43 CO 0.01 0.31 1.39 -2.14 -0.76 0.00 0.00 175.35 174.16 3ekw s PRO 44 N 0.04 4.24 0.01 -1.68 0.02 -1.26 -0.00 135.00 136.37 3ekw s PRO 44 Ca -0.08 2.38 -0.04 0.00 0.02 0.00 0.00 61.00 63.28 3ekw s PRO 44 Cb -0.15 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.34 3ekw s PRO 44 CO 0.05 -0.35 0.06 0.21 -0.33 0.00 0.00 177.00 176.65 3ekw s LYS 45 N -1.92 0.40 -0.13 5.54 2.20 0.03 -4.87 119.74 120.99 3ekw s LYS 45 Ca 0.51 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.62 3ekw s LYS 45 Cb -0.43 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.02 3ekw s LYS 45 CO 0.58 -0.08 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.78 3ekw s MET 46 N -1.38 3.39 0.23 4.03 -1.94 -1.26 -0.59 119.30 121.78 3ekw s MET 46 Ca -0.15 -0.56 0.09 0.00 -1.71 0.00 0.00 55.69 53.35 3ekw s MET 46 Cb -0.08 -2.77 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 3ekw s MET 46 CO 0.00 0.34 -0.15 0.96 -0.01 0.00 0.00 175.02 176.17 3ekw s ILE 47 N 0.07 1.92 0.00 2.53 -4.36 -0.54 -4.97 121.20 115.85 3ekw s ILE 47 Ca -0.02 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 3ekw s ILE 47 Cb -0.14 -2.16 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 3ekw s ILE 47 CO 0.03 -0.51 -0.04 -0.69 0.24 0.00 0.00 174.94 173.98 3ekw s VAL 48 N -2.86 0.27 0.00 8.37 1.01 -1.26 -0.84 120.40 125.10 3ekw s VAL 48 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3ekw s VAL 48 Cb -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3ekw s VAL 48 CO 0.10 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3ekw n GLY 49 N 2.80 3.45 3.75 4.51 0.00 -0.90 -5.02 105.19 113.78 3ekw n GLY 49 Ca -0.14 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 3ekw n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ekw s ILE 50 N -1.32 2.63 0.00 -0.61 1.01 -1.26 -1.69 121.20 119.95 3ekw s ILE 50 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.19 3ekw s ILE 50 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3ekw s ILE 50 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3ekw n GLY 51 N 2.07 1.55 0.00 6.18 0.00 -1.26 -4.96 105.19 108.77 3ekw n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3ekw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekw n GLY 52 N -2.00 0.14 3.87 -0.02 0.00 -0.68 -5.02 105.19 101.47 3ekw n GLY 52 Ca 0.00 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 3ekw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ekw s PHE 53 N 0.00 3.47 0.00 1.61 0.40 -1.26 -2.11 117.98 120.09 3ekw s PHE 53 Ca 0.00 0.92 0.01 0.00 -0.60 0.00 0.00 56.93 57.26 3ekw s PHE 53 Cb 0.00 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 3ekw s PHE 53 CO 0.00 0.32 -0.04 0.54 0.70 0.00 0.00 175.22 176.74 3ekw s VAL 54 N -1.72 0.31 -0.14 -0.44 0.11 -0.02 -4.99 120.40 113.52 3ekw s VAL 54 Ca 0.45 -0.25 -0.21 0.00 -2.93 0.00 0.00 61.98 59.03 3ekw s VAL 54 Cb -0.12 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3ekw s VAL 54 CO 0.20 0.03 0.63 -0.75 -3.33 0.00 0.00 175.10 171.88 3ekw s LYS 55 N -0.25 4.32 0.30 1.54 2.20 -1.26 -1.47 119.74 125.11 3ekw s LYS 55 Ca 0.00 0.68 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 3ekw s LYS 55 Cb -0.02 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3ekw s LYS 55 CO -0.00 -0.05 0.11 0.14 -0.36 0.00 0.00 175.35 175.19 3ekw s VAL 56 N 1.27 0.57 -0.11 4.02 -7.23 0.24 -4.44 120.40 114.72 3ekw s VAL 56 Ca 0.31 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.49 3ekw s VAL 56 Cb -0.16 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 3ekw s VAL 56 CO 0.13 0.00 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.65 3ekw s ARG 57 N -3.92 3.19 -0.24 4.82 0.52 0.88 -0.79 118.95 123.41 3ekw s ARG 57 Ca 0.36 -0.71 -0.10 0.00 -0.52 0.00 0.00 55.73 54.76 3ekw s ARG 57 Cb 0.07 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.94 3ekw s ARG 57 CO 0.15 0.29 0.14 -1.14 0.02 0.00 0.00 175.30 174.76 3ekw s GLN 58 N 0.15 3.98 -0.13 3.54 0.74 1.00 -0.52 119.66 128.42 3ekw s GLN 58 Ca -0.08 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.03 3ekw s GLN 58 Cb -0.15 -3.48 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 3ekw s GLN 58 CO 0.05 0.02 -0.17 0.71 -0.55 0.00 0.00 175.29 175.35 3ekw s TYR 59 N 1.15 2.73 0.21 1.67 1.51 -0.45 -2.12 117.35 122.05 3ekw s TYR 59 Ca 0.07 -0.87 0.06 0.00 -1.01 0.00 0.00 57.07 55.31 3ekw s TYR 59 Cb -0.14 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3ekw s TYR 59 CO 0.05 -0.35 0.19 -0.51 -1.11 0.00 0.00 175.55 173.82 3ekw s ASP 60 N 0.48 5.63 -1.38 2.29 1.01 -1.26 -0.68 116.67 122.76 3ekw s ASP 60 Ca -0.12 -0.16 -0.04 0.00 0.71 0.00 0.00 52.55 52.94 3ekw s ASP 60 Cb -0.16 -1.48 0.03 0.00 1.01 0.00 0.00 42.92 42.31 3ekw s ASP 60 CO 0.05 0.00 0.78 0.00 0.21 0.00 0.00 175.17 176.21 3ekw n GLN 61 N -0.85 -5.06 -3.54 8.23 1.13 -1.15 -4.91 117.38 111.23 3ekw n GLN 61 Ca -0.08 0.61 -0.38 0.00 -1.94 0.00 0.00 57.00 55.21 3ekw n GLN 61 Cb 0.56 -5.25 -0.09 0.00 0.11 0.00 0.00 30.24 25.57 3ekw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ekw s ILE 62 N -3.57 5.28 0.21 5.09 -1.09 0.06 -4.72 121.20 122.46 3ekw s ILE 62 Ca 0.21 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 3ekw s ILE 62 Cb -0.10 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.10 3ekw s ILE 62 CO 0.82 0.27 1.28 -2.84 -1.23 0.00 0.00 174.94 173.24 3ekw s PRO 63 N 1.49 4.41 -0.13 2.79 0.02 -1.26 -1.69 135.00 140.63 3ekw s PRO 63 Ca 0.11 2.03 -0.09 0.00 0.02 0.00 0.00 61.00 63.07 3ekw s PRO 63 Cb -0.15 -3.19 0.04 0.00 0.02 0.00 0.00 34.50 31.22 3ekw s PRO 63 CO 0.08 -0.20 0.32 -1.50 -0.33 0.00 0.00 177.00 175.37 3ekw s ILE 64 N -0.06 -0.02 -0.17 2.83 2.07 -0.31 -4.41 121.20 121.14 3ekw s ILE 64 Ca 0.55 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.82 3ekw s ILE 64 Cb -0.36 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 41.73 3ekw s ILE 64 CO 0.39 0.03 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.74 3ekw s GLU 65 N 0.90 3.72 -0.29 3.50 2.12 0.07 -1.04 118.70 127.68 3ekw s GLU 65 Ca -0.06 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.81 3ekw s GLU 65 Cb -0.07 -3.00 0.07 0.00 0.26 0.00 0.00 34.13 31.39 3ekw s GLU 65 CO -0.06 0.20 -0.05 0.42 -0.54 0.00 0.00 175.26 175.23 3ekw s ILE 66 N 0.48 2.27 -1.44 -3.70 1.01 0.44 -0.74 121.20 119.52 3ekw s ILE 66 Ca -0.02 -1.83 -0.10 0.00 0.00 0.00 0.00 60.65 58.70 3ekw s ILE 66 Cb -0.14 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 39.96 3ekw s ILE 66 CO 0.02 -0.20 0.70 0.00 0.00 0.00 0.00 174.94 175.46 3ekw n GLY 68 N -1.43 0.52 3.52 0.00 0.00 -1.26 -5.02 105.19 101.53 3ekw n GLY 68 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3ekw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ekw s HIS 69 N -2.17 3.12 0.13 1.61 4.02 -0.57 -5.09 115.29 116.34 3ekw s HIS 69 Ca 0.00 -0.23 -0.24 0.00 1.02 0.00 0.00 55.06 55.62 3ekw s HIS 69 Cb 0.00 -2.09 -0.07 0.00 -1.02 0.00 0.00 32.58 29.40 3ekw s HIS 69 CO 0.00 -0.09 0.71 0.15 1.02 0.00 0.00 174.74 176.54 3ekw s LYS 70 N 0.79 4.46 0.10 1.40 1.02 -1.26 -0.42 119.74 125.82 3ekw s LYS 70 Ca 0.02 1.03 0.03 0.00 0.02 0.00 0.00 55.97 57.07 3ekw s LYS 70 Cb -0.14 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 3ekw s LYS 70 CO 0.02 0.56 -0.09 0.00 -0.92 0.00 0.00 175.35 174.92 3ekw s ALA 71 N -1.02 1.06 -0.16 5.17 0.00 -0.21 -4.72 121.76 121.90 3ekw s ALA 71 Ca 0.34 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 3ekw s ALA 71 Cb -0.22 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.02 3ekw s ALA 71 CO 0.24 -0.08 0.09 0.42 0.00 0.00 0.00 175.76 176.42 3ekw s ILE 72 N -2.66 -0.08 0.00 0.00 1.01 -1.26 -1.16 121.20 117.05 3ekw s ILE 72 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.61 3ekw s ILE 72 Cb -0.01 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.92 3ekw s ILE 72 CO -0.01 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.31 3ekw n GLY 73 N 5.28 1.81 3.72 6.18 0.00 -0.68 -4.77 105.19 116.73 3ekw n GLY 73 Ca -0.07 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 3ekw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekw s THR 74 N -2.56 4.93 -0.12 2.61 2.01 -1.26 -0.76 115.64 120.49 3ekw s THR 74 Ca 0.00 1.60 0.02 0.00 0.31 0.00 0.00 61.69 63.62 3ekw s THR 74 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.41 3ekw s THR 74 CO 0.00 0.26 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.34 3ekw s VAL 75 N 0.62 1.57 0.06 3.82 1.01 0.15 -4.48 120.40 123.14 3ekw s VAL 75 Ca 0.40 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 3ekw s VAL 75 Cb -0.19 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3ekw s VAL 75 CO 0.21 0.46 0.37 -0.76 0.00 0.00 0.00 175.10 175.37 3ekw s LEU 76 N 1.00 4.36 -0.05 3.92 1.43 0.06 -1.34 118.68 128.05 3ekw s LEU 76 Ca -0.06 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 3ekw s LEU 76 Cb -0.15 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.21 3ekw s LEU 76 CO -0.02 0.20 -0.08 -0.69 0.23 0.00 0.00 176.35 175.99 3ekw s VAL 77 N -1.35 0.83 -0.71 -1.59 1.01 0.32 -0.73 120.40 118.18 3ekw s VAL 77 Ca 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.99 3ekw s VAL 77 Cb -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3ekw s VAL 77 CO 0.17 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3ekw n GLY 78 N 3.89 -1.27 2.34 4.51 0.00 -0.72 -0.09 105.19 113.84 3ekw n GLY 78 Ca -0.24 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3ekw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ekw n PRO 79 N -0.02 3.68 -2.79 1.61 -0.04 -1.26 -3.18 135.00 133.00 3ekw n PRO 79 Ca 0.00 -2.25 -0.38 0.00 -0.04 0.00 0.00 63.50 60.83 3ekw n PRO 79 Cb 0.00 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.57 3ekw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3ekw s THR 80 N 2.15 4.18 -0.58 0.52 -1.32 -1.26 -4.95 115.64 114.38 3ekw s THR 80 Ca 0.68 1.90 0.19 0.00 -1.21 0.00 0.00 61.69 63.25 3ekw s THR 80 Cb 0.18 -4.13 0.19 0.00 -1.51 0.00 0.00 72.50 67.22 3ekw s THR 80 CO -0.06 0.30 1.57 -2.65 -2.21 0.00 0.00 174.62 171.56 3ekw n PRO 81 N 0.96 0.12 -3.68 7.08 -0.02 -1.26 -4.75 135.00 133.45 3ekw n PRO 81 Ca -0.00 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 3ekw n PRO 81 Cb 0.49 -1.78 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 3ekw n PRO 81 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ekw s ALA 82 N -3.27 -1.38 0.12 3.55 0.00 -1.26 -5.13 121.76 114.38 3ekw s ALA 82 Ca 0.03 1.57 -0.31 0.00 0.00 0.00 0.00 51.96 53.25 3ekw s ALA 82 Cb 0.08 -0.92 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 3ekw s ALA 82 CO 0.28 -0.26 1.45 -0.80 0.00 0.00 0.00 175.76 176.42 3ekw s ASN 83 N 0.29 6.75 -0.07 0.00 0.01 -1.26 -4.78 114.94 115.89 3ekw s ASN 83 Ca -0.00 2.40 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 3ekw s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3ekw s ASN 83 CO 0.01 -0.72 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.21 3ekw s ILE 84 N 1.30 0.64 -0.42 0.60 1.01 0.39 -0.81 121.20 123.91 3ekw s ILE 84 Ca 0.66 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 61.04 3ekw s ILE 84 Cb -0.38 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.41 3ekw s ILE 84 CO 0.30 0.28 0.40 -0.63 0.00 0.00 0.00 174.94 175.30 3ekw s ILE 85 N 1.40 5.13 0.41 2.92 -1.09 0.37 -1.06 121.20 129.28 3ekw s ILE 85 Ca -0.03 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 57.95 3ekw s ILE 85 Cb -0.13 -4.02 0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3ekw s ILE 85 CO -0.03 -0.41 0.57 0.61 -1.23 0.00 0.00 174.94 174.45 3ekw n GLY 86 N 5.13 1.17 0.25 6.18 0.00 -1.18 -0.87 105.19 115.87 3ekw n GLY 86 Ca -0.08 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 43.94 3ekw n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ekw h ARG 87 N 0.00 0.00 -0.89 1.61 3.08 -0.79 -0.80 114.38 116.60 3ekw h ARG 87 Ca -0.19 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.98 3ekw h ARG 87 Cb 0.76 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.74 3ekw h ARG 87 CO 0.23 0.06 0.57 -2.95 -1.07 0.00 0.00 179.97 176.81 3ekw h ASN 88 N 0.00 0.71 0.05 7.04 -1.07 -1.79 -1.36 115.58 119.16 3ekw h ASN 88 Ca -0.00 0.03 -0.36 0.00 0.07 0.00 0.00 56.30 56.04 3ekw h ASN 88 Cb 0.11 -0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 36.18 3ekw h ASN 88 CO 0.01 0.38 -2.32 0.18 0.07 0.00 0.00 177.43 175.75 3ekw n LEU 89 N -4.55 0.17 -0.36 6.14 4.77 -0.62 -3.98 117.00 118.57 3ekw n LEU 89 Ca 0.16 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 3ekw n LEU 89 Cb 0.40 0.42 0.17 0.00 -2.33 0.00 0.00 43.42 42.09 3ekw n LEU 89 CO 0.30 0.50 1.25 -0.07 -1.33 0.00 0.00 177.39 178.04 3ekw h LEU 90 N 0.00 1.00 -1.05 2.23 3.38 -1.00 -1.16 115.31 118.71 3ekw h LEU 90 Ca -0.52 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 3ekw h LEU 90 Cb 2.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 3ekw h LEU 90 CO 0.03 0.63 -0.04 0.71 0.09 0.00 0.00 178.44 179.87 3ekw h THR 91 N 1.13 1.23 -0.18 0.22 1.35 -1.44 -0.88 112.91 114.35 3ekw h THR 91 Ca 0.42 -0.96 -0.06 0.00 -0.55 0.00 0.00 66.41 65.27 3ekw h THR 91 Cb 0.17 0.98 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 3ekw h THR 91 CO -0.17 0.33 -0.14 1.56 -0.25 0.00 0.00 175.52 176.84 3ekw h GLN 92 N 0.59 0.29 -0.39 4.72 4.20 -1.36 -2.32 115.11 120.85 3ekw h GLN 92 Ca 0.12 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3ekw h GLN 92 Cb 0.44 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3ekw h GLN 92 CO 0.02 0.43 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 3ekw n ILE 93 N -4.25 0.51 -1.97 2.54 -5.35 -0.94 -4.93 119.36 104.97 3ekw n ILE 93 Ca -0.00 -0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 61.84 3ekw n ILE 93 Cb 0.29 0.49 -0.00 0.00 -1.74 0.00 0.00 39.64 38.67 3ekw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ekw n GLY 94 N 1.30 0.28 3.73 3.28 0.00 -0.87 -5.01 105.19 107.90 3ekw n GLY 94 Ca 0.17 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 3ekw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekw s THR 96 N 0.46 1.51 -0.05 0.00 -4.23 -1.26 -4.67 115.64 107.40 3ekw s THR 96 Ca 0.44 -2.12 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 3ekw s THR 96 Cb -0.20 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.65 3ekw s THR 96 CO 0.24 -0.63 0.36 -0.76 -0.54 0.00 0.00 174.62 173.30 3ekw s LEU 97 N -3.18 4.41 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.76 3ekw s LEU 97 Ca 0.19 0.82 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 3ekw s LEU 97 Cb -0.00 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.73 3ekw s LEU 97 CO 0.04 0.28 -0.04 0.20 0.23 0.00 0.00 176.35 177.06 3ekw s ASN 98 N -0.70 0.57 0.00 2.29 0.01 -1.26 -5.30 114.94 110.56 3ekw s ASN 98 Ca 0.22 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 3ekw s ASN 98 Cb -0.15 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.36 3ekw s ASN 98 CO 0.10 0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.93