#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w5w s GLN 2 N 0.00 3.31 -0.19 0.54 0.74 -1.26 -5.10 119.66 117.69 1w5w s GLN 2 Ca 0.00 -0.69 -0.03 0.00 0.05 0.00 0.00 55.36 54.69 1w5w s GLN 2 Cb 0.00 -2.77 -0.01 0.00 1.10 0.00 0.00 33.01 31.33 1w5w s GLN 2 CO 0.00 -0.02 -0.06 0.42 -0.55 0.00 0.00 175.29 175.08 1w5w s ILE 3 N 0.96 3.38 0.78 -2.34 1.01 -1.26 -5.11 121.20 118.62 1w5w s ILE 3 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 1w5w s ILE 3 Cb -0.15 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 39.91 1w5w s ILE 3 CO -0.01 0.45 1.12 0.42 0.00 0.00 0.00 174.94 176.92 1w5w s THR 4 N 1.11 2.13 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.10 1w5w s THR 4 Ca 0.01 -0.17 0.15 0.00 -1.18 0.00 0.00 61.69 60.50 1w5w s THR 4 Cb -0.15 -2.96 0.40 0.00 1.34 0.00 0.00 72.50 71.13 1w5w s THR 4 CO -0.01 0.00 1.26 0.18 -0.54 0.00 0.00 174.62 175.52 1w5w n LEU 5 N -3.19 2.98 0.24 4.79 4.77 -1.26 -4.61 117.00 120.74 1w5w n LEU 5 Ca 0.10 -3.41 0.11 0.00 -0.03 0.00 0.00 56.01 52.78 1w5w n LEU 5 Cb 0.60 -0.51 0.61 0.00 -2.33 0.00 0.00 43.42 41.79 1w5w n LEU 5 CO 0.51 0.98 0.89 -0.50 -1.33 0.00 0.00 177.39 177.95 1w5w h TRP 6 N 0.73 0.00 -3.29 -1.77 4.06 -2.06 -3.43 115.95 110.19 1w5w h TRP 6 Ca 0.04 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.58 1w5w h TRP 6 Cb 1.18 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.20 1w5w h TRP 6 CO 0.45 0.18 -0.62 1.14 -3.56 0.00 0.00 178.44 176.03 1w5w s GLN 7 N -3.96 1.48 0.32 0.49 -2.07 -1.26 -5.11 119.66 109.54 1w5w s GLN 7 Ca -0.01 -1.80 -0.29 0.00 -1.82 0.00 0.00 55.36 51.44 1w5w s GLN 7 Cb 0.12 -0.60 -0.11 0.00 -1.09 0.00 0.00 33.01 31.33 1w5w s GLN 7 CO 0.61 -0.20 1.52 1.03 -1.32 0.00 0.00 175.29 176.94 1w5w s ARG 8 N -3.93 4.15 -1.26 9.60 0.52 -1.26 -4.86 118.95 121.91 1w5w s ARG 8 Ca 0.35 2.53 -0.17 0.00 -0.52 0.00 0.00 55.73 57.91 1w5w s ARG 8 Cb 0.08 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.52 1w5w s ARG 8 CO 0.13 -0.55 2.04 -0.35 0.02 0.00 0.00 175.30 176.59 1w5w n PRO 9 N 1.52 2.54 -3.31 3.54 -0.04 -1.26 -4.93 135.00 133.06 1w5w n PRO 9 Ca 0.05 -2.57 -0.38 0.00 -0.04 0.00 0.00 63.50 60.55 1w5w n PRO 9 Cb 0.39 -3.29 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 1w5w n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w5w s LEU 10 N 3.09 4.41 0.19 1.53 1.43 -1.26 -1.34 118.68 126.72 1w5w s LEU 10 Ca 0.52 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 1w5w s LEU 10 Cb 0.11 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 1w5w s LEU 10 CO 0.01 0.15 0.02 0.68 0.23 0.00 0.00 176.35 177.43 1w5w s VAL 11 N -0.29 0.68 -0.08 -1.59 -7.23 0.17 -4.95 120.40 107.12 1w5w s VAL 11 Ca 0.28 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.31 1w5w s VAL 11 Cb -0.17 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 1w5w s VAL 11 CO 0.15 -0.38 0.39 -0.89 -0.31 0.00 0.00 175.10 174.06 1w5w s THR 12 N -3.66 5.16 0.22 5.32 2.01 -1.26 -0.85 115.64 122.58 1w5w s THR 12 Ca 0.27 0.78 0.10 0.00 0.31 0.00 0.00 61.69 63.16 1w5w s THR 12 Cb 0.06 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.81 1w5w s THR 12 CO 0.06 0.46 -0.20 0.27 -0.69 0.00 0.00 174.62 174.52 1w5w s ILE 13 N -0.18 2.18 -0.11 1.82 -4.36 0.55 -2.16 121.20 118.95 1w5w s ILE 13 Ca 0.22 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.45 1w5w s ILE 13 Cb -0.15 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.46 1w5w s ILE 13 CO 0.10 -0.34 -0.16 -0.75 0.24 0.00 0.00 174.94 174.02 1w5w s LYS 14 N -3.17 2.32 -0.12 0.37 2.20 0.24 -1.06 119.74 120.52 1w5w s LYS 14 Ca 0.23 -0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 55.16 1w5w s LYS 14 Cb -0.05 -1.95 0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1w5w s LYS 14 CO 0.11 -0.06 0.31 -1.50 -0.36 0.00 0.00 175.35 173.85 1w5w s ILE 15 N 0.96 -0.02 -1.63 5.43 2.07 -0.34 -1.08 121.20 126.59 1w5w s ILE 15 Ca -0.07 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.23 1w5w s ILE 15 Cb -0.15 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1w5w s ILE 15 CO -0.02 0.03 0.22 0.61 -1.91 0.00 0.00 174.94 173.87 1w5w n GLY 16 N 3.69 -0.46 2.47 1.50 0.00 -1.26 -1.38 105.19 109.74 1w5w n GLY 16 Ca -0.20 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1w5w n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5w n GLY 17 N -1.20 0.28 3.40 -0.02 0.00 -1.26 -5.00 105.19 101.39 1w5w n GLY 17 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1w5w n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w5w s GLN 18 N -0.91 1.83 -0.06 1.61 -0.21 -0.48 -5.12 119.66 116.33 1w5w s GLN 18 Ca 0.00 -1.11 -0.16 0.00 0.02 0.00 0.00 55.36 54.11 1w5w s GLN 18 Cb 0.00 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 1w5w s GLN 18 CO 0.00 0.51 0.41 -0.51 -2.12 0.00 0.00 175.29 173.58 1w5w s LEU 19 N -1.52 4.38 0.06 2.90 1.43 -1.26 -1.20 118.68 123.47 1w5w s LEU 19 Ca 0.14 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 1w5w s LEU 19 Cb -0.10 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1w5w s LEU 19 CO 0.05 0.20 -0.02 -0.54 0.23 0.00 0.00 176.35 176.26 1w5w s LYS 20 N -0.35 0.64 -0.14 1.70 1.02 -0.22 -4.98 119.74 117.41 1w5w s LYS 20 Ca 0.23 -1.22 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 1w5w s LYS 20 Cb -0.16 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 1w5w s LYS 20 CO 0.11 -0.13 0.10 -1.21 -0.92 0.00 0.00 175.35 173.30 1w5w s GLU 21 N -3.93 3.62 0.06 1.68 2.02 -1.26 -0.33 118.70 120.56 1w5w s GLU 21 Ca 0.08 -0.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.83 1w5w s GLU 21 Cb 0.08 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 1w5w s GLU 21 CO -0.09 0.57 -0.04 0.00 0.02 0.00 0.00 175.26 175.72 1w5w s ALA 22 N -0.46 0.63 -0.20 5.21 0.00 -0.03 -4.43 121.76 122.49 1w5w s ALA 22 Ca 0.11 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1w5w s ALA 22 Cb -0.12 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1w5w s ALA 22 CO 0.02 -0.33 0.12 -1.17 0.00 0.00 0.00 175.76 174.40 1w5w s LEU 23 N -2.95 4.17 -0.50 0.00 2.96 0.40 -0.65 118.68 122.11 1w5w s LEU 23 Ca 0.08 0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 53.93 1w5w s LEU 23 Cb 0.07 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.72 1w5w s LEU 23 CO -0.09 0.19 1.12 -0.76 -1.32 0.00 0.00 176.35 175.49 1w5w s LEU 24 N 0.31 3.66 -0.34 -0.68 1.43 -0.45 -0.60 118.68 122.02 1w5w s LEU 24 Ca 0.08 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1w5w s LEU 24 Cb -0.11 -3.41 0.09 0.00 0.03 0.00 0.00 46.19 42.79 1w5w s LEU 24 CO -0.02 -1.27 0.05 -0.62 0.23 0.00 0.00 176.35 174.72 1w5w s ASP 25 N 2.54 4.81 0.43 2.29 -1.08 -0.37 -4.79 116.67 120.51 1w5w s ASP 25 Ca 0.45 -1.96 0.30 0.00 -0.52 0.00 0.00 52.55 50.82 1w5w s ASP 25 Cb -0.08 -1.66 1.33 0.00 -1.46 0.00 0.00 42.92 41.06 1w5w s ASP 25 CO 0.30 -0.37 1.90 0.71 0.52 0.00 0.00 175.17 178.22 1w5w h THR 26 N 6.58 0.00 -0.00 1.71 1.35 -1.94 -2.29 112.91 118.33 1w5w h THR 26 Ca -0.09 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1w5w h THR 26 Cb 1.03 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1w5w h THR 26 CO 0.54 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.27 1w5w n GLY 27 N -0.23 -1.08 3.63 5.82 0.00 -1.26 -4.79 105.19 107.28 1w5w n GLY 27 Ca 0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1w5w n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5w s ALA 28 N -2.65 3.57 0.19 4.61 0.00 -0.86 -4.97 121.76 121.65 1w5w s ALA 28 Ca 0.23 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1w5w s ALA 28 Cb 0.19 -2.35 0.12 0.00 0.00 0.00 0.00 23.12 21.09 1w5w s ALA 28 CO 0.52 -0.29 1.58 -0.44 0.00 0.00 0.00 175.76 177.13 1w5w h ASP 29 N 7.74 0.81 -0.69 0.00 3.32 -1.86 0.70 116.42 126.44 1w5w h ASP 29 Ca -0.37 -0.33 -0.66 0.00 0.02 0.00 0.00 57.03 55.69 1w5w h ASP 29 Cb 1.18 -0.23 -0.12 0.00 0.22 0.00 0.00 39.33 40.38 1w5w h ASP 29 CO 0.63 1.06 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.88 1w5w s ASP 30 N -6.80 4.14 -0.20 6.45 1.01 -1.26 -2.66 116.67 117.35 1w5w s ASP 30 Ca -0.09 -1.53 -0.06 0.00 0.71 0.00 0.00 52.55 51.57 1w5w s ASP 30 Cb 0.12 0.28 -0.03 0.00 1.01 0.00 0.00 42.92 44.31 1w5w s ASP 30 CO 0.85 -0.78 0.02 -0.89 0.21 0.00 0.00 175.17 174.57 1w5w s THR 31 N -2.82 4.16 -0.05 -1.27 2.01 -1.26 -2.95 115.64 113.46 1w5w s THR 31 Ca 0.16 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1w5w s THR 31 Cb 0.03 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.67 1w5w s THR 31 CO 0.08 0.43 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 1w5w s VAL 32 N 0.91 0.78 0.22 3.82 1.01 -0.59 -0.37 120.40 126.19 1w5w s VAL 32 Ca 0.02 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.81 1w5w s VAL 32 Cb -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1w5w s VAL 32 CO 0.02 0.27 -0.12 -0.76 0.00 0.00 0.00 175.10 174.52 1w5w s LEU 33 N 0.68 2.86 0.72 3.92 1.43 0.99 -0.61 118.68 128.68 1w5w s LEU 33 Ca -0.11 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.11 1w5w s LEU 33 Cb -0.14 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.63 1w5w s LEU 33 CO 0.02 0.07 1.17 -1.61 0.23 0.00 0.00 176.35 176.23 1w5w s GLU 34 N -3.14 2.25 -0.11 1.70 2.02 -1.26 -1.85 118.70 118.30 1w5w s GLU 34 Ca 0.27 1.63 -0.37 0.00 0.02 0.00 0.00 54.97 56.52 1w5w s GLU 34 Cb -0.07 -1.86 -0.18 0.00 0.10 0.00 0.00 34.13 32.12 1w5w s GLU 34 CO 0.15 -1.72 1.06 -1.91 0.02 0.00 0.00 175.26 172.86 1w5w n GLU 35 N -2.76 0.00 -3.78 1.61 4.07 -1.22 -4.68 120.64 113.87 1w5w n GLU 35 Ca 0.12 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.18 1w5w n GLU 35 Cb 0.51 -1.33 -0.01 0.00 -0.06 0.00 0.00 31.44 30.55 1w5w n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1w5w s MET 36 N 0.66 1.33 -0.21 5.31 0.23 -1.26 -5.05 119.30 120.31 1w5w s MET 36 Ca 0.84 -0.75 -0.10 0.00 -1.03 0.00 0.00 55.69 54.65 1w5w s MET 36 Cb -1.17 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.52 1w5w s MET 36 CO 0.56 -0.61 0.14 0.45 -2.03 0.00 0.00 175.02 173.53 1w5w s SER 37 N -2.97 6.19 0.13 -1.18 0.15 -1.26 -5.05 113.70 109.71 1w5w s SER 37 Ca 0.13 0.21 0.07 0.00 0.70 0.00 0.00 55.95 57.05 1w5w s SER 37 Cb -0.02 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1w5w s SER 37 CO 0.04 0.14 -0.15 -0.76 1.20 0.00 0.00 173.24 173.71 1w5w s LEU 38 N 0.56 2.40 0.60 3.45 1.43 -1.26 -5.02 118.68 120.85 1w5w s LEU 38 Ca 0.08 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 1w5w s LEU 38 Cb -0.12 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1w5w s LEU 38 CO -0.00 -0.10 1.03 -2.16 0.23 0.00 0.00 176.35 175.34 1w5w s PRO 39 N -2.65 3.51 0.50 1.29 0.04 -1.26 -4.95 135.00 131.48 1w5w s PRO 39 Ca 0.10 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1w5w s PRO 39 Cb -0.05 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1w5w s PRO 39 CO 0.04 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.85 1w5w n GLY 40 N -2.04 -2.26 3.91 0.56 0.00 -1.26 -4.94 105.19 99.16 1w5w n GLY 40 Ca 0.07 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 1w5w n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w5w s ARG 41 N -0.32 3.58 0.23 1.61 0.52 -1.26 -5.10 118.95 118.22 1w5w s ARG 41 Ca 0.00 0.01 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1w5w s ARG 41 Cb 0.00 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 1w5w s ARG 41 CO 0.00 0.06 -0.14 1.67 0.02 0.00 0.00 175.30 176.92 1w5w s TRP 42 N -2.35 1.86 0.18 -0.53 1.48 -1.26 -4.67 118.94 113.65 1w5w s TRP 42 Ca 0.44 -0.56 0.11 0.00 -1.06 0.00 0.00 56.10 55.04 1w5w s TRP 42 Cb -0.10 -0.89 -0.04 0.00 -1.16 0.00 0.00 33.47 31.27 1w5w s TRP 42 CO 0.36 0.40 -0.24 0.15 -4.06 0.00 0.00 176.95 173.56 1w5w s LYS 43 N -3.64 1.47 0.40 3.25 1.02 -0.58 -4.89 119.74 116.78 1w5w s LYS 43 Ca 0.25 -1.48 -0.21 0.00 0.02 0.00 0.00 55.97 54.55 1w5w s LYS 43 Cb -0.01 -1.80 -0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1w5w s LYS 43 CO 0.09 0.39 0.93 -1.25 -0.92 0.00 0.00 175.35 174.59 1w5w s PRO 44 N -2.58 4.26 -0.07 -1.68 0.04 -1.26 -0.23 135.00 133.47 1w5w s PRO 44 Ca 0.19 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1w5w s PRO 44 Cb -0.08 -2.29 0.05 0.00 0.04 0.00 0.00 34.50 32.21 1w5w s PRO 44 CO 0.09 0.03 0.48 0.21 0.04 0.00 0.00 177.00 177.85 1w5w s LYS 45 N -3.00 0.78 -0.13 4.56 2.20 -1.01 -4.85 119.74 118.28 1w5w s LYS 45 Ca 0.60 0.20 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 1w5w s LYS 45 Cb -0.10 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1w5w s LYS 45 CO 0.15 -0.20 -0.16 -1.64 -0.36 0.00 0.00 175.35 173.14 1w5w s MET 46 N -0.85 3.27 -0.03 4.03 -1.94 -1.26 -1.00 119.30 121.51 1w5w s MET 46 Ca -0.09 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.21 1w5w s MET 46 Cb -0.03 -2.56 -0.01 0.00 2.01 0.00 0.00 34.83 34.23 1w5w s MET 46 CO 0.05 0.15 -0.22 0.96 -0.01 0.00 0.00 175.02 175.95 1w5w s ILE 47 N 0.49 1.78 -0.17 2.53 -4.36 -0.89 -4.97 121.20 115.61 1w5w s ILE 47 Ca -0.11 -0.94 -0.06 0.00 -0.26 0.00 0.00 60.65 59.28 1w5w s ILE 47 Cb -0.16 -1.50 -0.04 0.00 1.25 0.00 0.00 42.46 42.02 1w5w s ILE 47 CO 0.05 0.50 0.03 -0.83 0.24 0.00 0.00 174.94 174.93 1w5w s GLY 48 N -0.31 1.85 0.00 6.27 0.00 -1.26 -1.77 107.32 112.10 1w5w s GLY 48 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1w5w s GLY 48 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.69 1w5w n GLY 49 N 3.41 6.36 0.25 0.20 0.00 0.13 -4.98 105.19 110.56 1w5w n GLY 49 Ca -0.17 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 43.83 1w5w n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1w5w h ILE 50 N 0.20 1.11 -0.31 -0.61 2.10 -2.02 -3.02 117.51 114.96 1w5w h ILE 50 Ca 0.00 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1w5w h ILE 50 Cb 0.00 1.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1w5w h ILE 50 CO 0.00 0.15 0.00 0.61 -1.08 0.00 0.00 178.15 177.83 1w5w n GLY 51 N -1.16 1.54 0.00 8.18 0.00 -1.26 -5.08 105.19 107.40 1w5w n GLY 51 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1w5w n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5w n GLY 52 N 1.16 0.81 3.65 -0.02 0.00 -1.14 -5.11 105.19 104.54 1w5w n GLY 52 Ca 0.16 -1.95 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 1w5w n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w5w s PHE 53 N -2.26 2.78 0.04 1.61 0.40 -1.26 0.17 117.98 119.46 1w5w s PHE 53 Ca 0.00 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1w5w s PHE 53 Cb 0.00 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 1w5w s PHE 53 CO 0.00 0.55 -0.06 0.96 0.70 0.00 0.00 175.22 177.37 1w5w s ILE 54 N -1.92 0.39 -0.08 0.64 -4.36 -0.73 -4.98 121.20 110.15 1w5w s ILE 54 Ca 0.28 -1.08 -0.16 0.00 -0.26 0.00 0.00 60.65 59.43 1w5w s ILE 54 Cb -0.08 -0.57 -0.05 0.00 1.25 0.00 0.00 42.46 43.01 1w5w s ILE 54 CO 0.19 -0.47 0.43 -0.54 0.24 0.00 0.00 174.94 174.79 1w5w s LYS 55 N -1.72 4.18 0.25 0.37 1.02 -1.26 -2.09 119.74 120.48 1w5w s LYS 55 Ca -0.11 0.39 0.04 0.00 0.02 0.00 0.00 55.97 56.31 1w5w s LYS 55 Cb -0.09 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 1w5w s LYS 55 CO -0.01 0.37 0.01 0.14 -0.92 0.00 0.00 175.35 174.94 1w5w s VAL 56 N -0.04 1.05 -0.20 3.17 -7.23 -0.17 -4.53 120.40 112.46 1w5w s VAL 56 Ca 0.24 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.29 1w5w s VAL 56 Cb -0.15 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1w5w s VAL 56 CO 0.11 -0.26 0.09 -0.13 -0.31 0.00 0.00 175.10 174.59 1w5w s ARG 57 N -3.87 4.00 -0.26 4.82 0.52 0.64 -2.41 118.95 122.38 1w5w s ARG 57 Ca 0.30 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.08 1w5w s ARG 57 Cb 0.06 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.19 1w5w s ARG 57 CO 0.10 0.22 0.17 -1.14 0.02 0.00 0.00 175.30 174.67 1w5w s GLN 58 N 0.54 4.00 -0.09 3.54 0.74 0.68 -0.59 119.66 128.47 1w5w s GLN 58 Ca 0.04 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1w5w s GLN 58 Cb -0.12 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 1w5w s GLN 58 CO 0.01 -0.07 -0.13 0.71 -0.55 0.00 0.00 175.29 175.26 1w5w s TYR 59 N 1.43 2.77 0.19 1.67 1.51 -0.27 -1.53 117.35 123.11 1w5w s TYR 59 Ca 0.07 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1w5w s TYR 59 Cb -0.15 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1w5w s TYR 59 CO 0.08 -0.02 0.15 -0.51 -1.11 0.00 0.00 175.55 174.14 1w5w s ASP 60 N -0.15 5.51 -1.29 2.29 1.01 -1.26 -0.85 116.67 121.92 1w5w s ASP 60 Ca -0.01 -0.17 -0.02 0.00 0.71 0.00 0.00 52.55 53.06 1w5w s ASP 60 Cb -0.13 -1.42 -0.00 0.00 1.01 0.00 0.00 42.92 42.37 1w5w s ASP 60 CO 0.03 0.04 0.68 1.67 0.21 0.00 0.00 175.17 177.80 1w5w n GLN 61 N -0.58 -4.33 -3.67 8.23 7.27 -1.12 -4.92 117.38 118.27 1w5w n GLN 61 Ca -0.08 0.59 -0.36 0.00 0.07 0.00 0.00 57.00 57.22 1w5w n GLN 61 Cb 0.56 -5.04 -0.07 0.00 2.41 0.00 0.00 30.24 28.09 1w5w n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1w5w s ILE 62 N -3.68 5.36 -0.01 1.69 -1.09 0.47 -4.75 121.20 119.18 1w5w s ILE 62 Ca 0.05 0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.57 1w5w s ILE 62 Cb -0.02 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1w5w s ILE 62 CO 0.82 0.47 0.98 -0.22 -1.23 0.00 0.00 174.94 175.76 1w5w s LEU 63 N -0.03 4.36 -0.11 2.97 2.96 -1.26 -1.43 118.68 126.13 1w5w s LEU 63 Ca 0.14 1.64 -0.06 0.00 -0.22 0.00 0.00 54.13 55.63 1w5w s LEU 63 Cb -0.12 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.05 1w5w s LEU 63 CO 0.03 -0.28 0.27 -0.51 -1.32 0.00 0.00 176.35 174.54 1w5w s ILE 64 N 1.12 -0.04 -0.21 6.68 2.07 0.12 -4.54 121.20 126.40 1w5w s ILE 64 Ca 0.51 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.80 1w5w s ILE 64 Cb -0.21 -0.41 -0.05 0.00 0.13 0.00 0.00 42.46 41.93 1w5w s ILE 64 CO 0.27 0.05 0.11 -0.70 -1.91 0.00 0.00 174.94 172.76 1w5w s GLU 65 N 1.23 4.04 -0.22 3.50 2.12 -0.24 -0.41 118.70 128.71 1w5w s GLU 65 Ca -0.09 -0.30 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1w5w s GLU 65 Cb -0.10 -3.38 0.04 0.00 0.26 0.00 0.00 34.13 30.95 1w5w s GLU 65 CO -0.09 0.18 -0.15 0.42 -0.54 0.00 0.00 175.26 175.08 1w5w s ILE 66 N 0.67 2.12 -1.58 -3.70 1.01 0.96 -0.59 121.20 120.10 1w5w s ILE 66 Ca 0.06 -1.32 -0.15 0.00 0.00 0.00 0.00 60.65 59.23 1w5w s ILE 66 Cb -0.13 -2.09 0.12 0.00 0.01 0.00 0.00 42.46 40.37 1w5w s ILE 66 CO 0.01 0.23 0.84 0.00 0.00 0.00 0.00 174.94 176.02 1w5w n GLY 68 N -1.50 2.00 3.64 0.00 0.00 -1.26 -5.02 105.19 103.06 1w5w n GLY 68 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1w5w n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w5w s HIS 69 N -2.59 3.32 0.02 1.61 4.02 0.82 -5.05 115.29 117.45 1w5w s HIS 69 Ca 0.00 0.66 -0.29 0.00 1.02 0.00 0.00 55.06 56.46 1w5w s HIS 69 Cb 0.00 -2.65 -0.04 0.00 -1.02 0.00 0.00 32.58 28.87 1w5w s HIS 69 CO 0.00 -0.16 0.92 0.15 1.02 0.00 0.00 174.74 176.67 1w5w s LYS 70 N 1.86 4.57 0.09 1.40 1.02 -1.26 -0.03 119.74 127.39 1w5w s LYS 70 Ca 0.21 1.33 0.04 0.00 0.02 0.00 0.00 55.97 57.57 1w5w s LYS 70 Cb -0.15 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 1w5w s LYS 70 CO 0.09 0.05 -0.11 0.00 -0.92 0.00 0.00 175.35 174.46 1w5w s ALA 71 N 0.66 1.16 -0.16 5.17 0.00 0.45 -4.94 121.76 124.09 1w5w s ALA 71 Ca 0.48 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1w5w s ALA 71 Cb -0.21 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1w5w s ALA 71 CO 0.27 0.03 0.05 0.42 0.00 0.00 0.00 175.76 176.53 1w5w s ILE 72 N -2.09 0.26 0.00 0.00 1.01 -1.26 -0.70 121.20 118.42 1w5w s ILE 72 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1w5w s ILE 72 Cb -0.05 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1w5w s ILE 72 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1w5w n GLY 73 N 5.15 2.34 3.71 6.18 0.00 -0.51 -4.78 105.19 117.27 1w5w n GLY 73 Ca -0.08 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1w5w n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w5w s THR 74 N -2.84 4.86 -0.07 2.61 2.01 -1.26 -0.39 115.64 120.55 1w5w s THR 74 Ca 0.00 2.04 0.03 0.00 0.31 0.00 0.00 61.69 64.07 1w5w s THR 74 Cb 0.00 -4.31 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1w5w s THR 74 CO 0.00 0.14 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.21 1w5w s VAL 75 N 1.16 1.47 -0.03 3.82 1.01 -0.03 -4.55 120.40 123.26 1w5w s VAL 75 Ca 0.51 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1w5w s VAL 75 Cb -0.20 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1w5w s VAL 75 CO 0.26 0.43 0.16 -0.76 0.00 0.00 0.00 175.10 175.19 1w5w s LEU 76 N 0.47 4.28 -0.07 3.92 1.43 0.50 -1.12 118.68 128.10 1w5w s LEU 76 Ca -0.14 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1w5w s LEU 76 Cb -0.16 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1w5w s LEU 76 CO 0.05 0.29 -0.14 -0.69 0.23 0.00 0.00 176.35 176.09 1w5w s VAL 77 N -1.25 1.31 -0.01 -1.59 1.01 0.24 -0.01 120.40 120.11 1w5w s VAL 77 Ca 0.24 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 1w5w s VAL 77 Cb -0.12 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1w5w s VAL 77 CO 0.15 0.39 0.25 0.61 0.00 0.00 0.00 175.10 176.51 1w5w n GLY 78 N 3.74 0.47 2.37 4.51 0.00 -0.77 -0.26 105.19 115.25 1w5w n GLY 78 Ca -0.22 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1w5w n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w5w n PRO 79 N -0.18 1.55 -2.99 1.61 -0.04 -1.26 -3.46 135.00 130.22 1w5w n PRO 79 Ca 0.01 -0.94 -0.36 0.00 -0.04 0.00 0.00 63.50 62.17 1w5w n PRO 79 Cb 0.11 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1w5w n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1w5w s THR 80 N 2.45 4.44 0.44 0.52 -1.32 -1.26 -4.96 115.64 115.95 1w5w s THR 80 Ca 0.39 1.47 0.18 0.00 -1.21 0.00 0.00 61.69 62.52 1w5w s THR 80 Cb 0.15 -3.90 0.21 0.00 -1.51 0.00 0.00 72.50 67.46 1w5w s THR 80 CO -0.01 0.16 2.01 -0.65 -2.21 0.00 0.00 174.62 173.92 1w5w h PRO 81 N 3.27 0.00 -3.52 7.08 0.11 -1.98 -3.44 132.00 133.53 1w5w h PRO 81 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1w5w h PRO 81 Cb 1.19 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1w5w h PRO 81 CO 0.65 0.17 -0.16 0.14 -0.21 0.00 0.00 178.00 178.59 1w5w s VAL 82 N -4.48 0.09 0.04 3.15 -7.23 -1.26 -5.08 120.40 105.63 1w5w s VAL 82 Ca -0.04 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 1w5w s VAL 82 Cb 0.15 -1.23 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 1w5w s VAL 82 CO 0.66 -0.41 1.28 0.20 -0.31 0.00 0.00 175.10 176.52 1w5w s ASN 83 N -2.82 6.97 -0.12 4.85 0.01 -1.26 -4.70 114.94 117.87 1w5w s ASN 83 Ca 0.04 2.07 0.03 0.00 -0.71 0.00 0.00 52.86 54.29 1w5w s ASN 83 Cb 0.03 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1w5w s ASN 83 CO -0.12 -0.58 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.04 1w5w s ILE 84 N 1.55 2.00 -0.38 0.60 1.01 0.22 -0.45 121.20 125.75 1w5w s ILE 84 Ca 0.61 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 1w5w s ILE 84 Cb -0.31 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1w5w s ILE 84 CO 0.28 0.54 0.25 -0.63 0.00 0.00 0.00 174.94 175.38 1w5w s ILE 85 N 0.58 5.00 0.54 2.92 -1.09 0.23 -1.54 121.20 127.84 1w5w s ILE 85 Ca -0.13 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1w5w s ILE 85 Cb -0.17 -3.74 0.10 0.00 -1.58 0.00 0.00 42.46 37.08 1w5w s ILE 85 CO 0.04 -0.21 0.74 0.61 -1.23 0.00 0.00 174.94 174.88 1w5w n GLY 86 N 5.09 0.96 0.36 6.18 0.00 -1.15 -1.23 105.19 115.39 1w5w n GLY 86 Ca -0.12 -2.06 0.16 0.00 0.00 0.00 0.00 46.02 44.01 1w5w n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w5w h ARG 87 N 0.00 0.14 -0.67 1.61 3.08 -0.87 -0.46 114.38 117.22 1w5w h ARG 87 Ca -0.24 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.84 1w5w h ARG 87 Cb 0.95 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 1w5w h ARG 87 CO 0.28 0.09 0.44 -2.95 -1.07 0.00 0.00 179.97 176.76 1w5w h ASN 88 N 0.15 0.67 0.19 7.04 -1.07 -1.77 -1.68 115.58 119.11 1w5w h ASN 88 Ca 0.24 -0.01 -0.22 0.00 0.07 0.00 0.00 56.30 56.39 1w5w h ASN 88 Cb 0.78 -0.15 -0.04 0.00 -2.07 0.00 0.00 38.32 36.83 1w5w h ASN 88 CO -0.03 0.45 -2.02 0.18 0.07 0.00 0.00 177.43 176.08 1w5w n LEU 89 N -4.46 0.25 -0.14 6.14 4.77 -0.69 -3.99 117.00 118.87 1w5w n LEU 89 Ca 0.09 0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1w5w n LEU 89 Cb 0.16 0.25 0.25 0.00 -2.33 0.00 0.00 43.42 41.75 1w5w n LEU 89 CO 0.35 0.28 1.10 -0.07 -1.33 0.00 0.00 177.39 177.71 1w5w h LEU 90 N 0.00 0.74 -1.03 2.23 3.38 -0.81 -1.65 115.31 118.17 1w5w h LEU 90 Ca -0.30 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1w5w h LEU 90 Cb 1.75 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1w5w h LEU 90 CO 0.03 0.64 -0.35 0.71 0.09 0.00 0.00 178.44 179.55 1w5w h THR 91 N 0.83 1.28 -0.13 0.22 1.35 -1.48 -1.09 112.91 113.90 1w5w h THR 91 Ca 0.21 -1.38 -0.08 0.00 -0.55 0.00 0.00 66.41 64.61 1w5w h THR 91 Cb 0.09 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1w5w h THR 91 CO -0.03 0.41 -0.26 1.56 -0.25 0.00 0.00 175.52 176.96 1w5w h GLN 92 N 0.21 0.23 -0.26 4.72 4.20 -1.44 -2.46 115.11 120.31 1w5w h GLN 92 Ca 0.02 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1w5w h GLN 92 Cb 0.73 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1w5w h GLN 92 CO 0.06 0.48 0.00 0.44 -0.67 0.00 0.00 178.83 179.14 1w5w n ILE 93 N -4.16 0.33 -2.51 2.54 -5.35 -1.03 -4.94 119.36 104.25 1w5w n ILE 93 Ca -0.01 -0.49 -0.09 0.00 -0.27 0.00 0.00 62.75 61.88 1w5w n ILE 93 Cb 0.37 0.57 0.01 0.00 -1.74 0.00 0.00 39.64 38.84 1w5w n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1w5w n GLY 94 N 1.26 0.15 3.74 3.28 0.00 -0.93 -5.01 105.19 107.68 1w5w n GLY 94 Ca 0.17 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1w5w n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5w s THR 96 N -0.14 0.74 -0.14 0.00 -4.23 -1.26 -4.70 115.64 105.91 1w5w s THR 96 Ca 0.43 -1.94 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1w5w s THR 96 Cb -0.22 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.88 1w5w s THR 96 CO 0.27 -0.86 0.17 -0.76 -0.54 0.00 0.00 174.62 172.90 1w5w s LEU 97 N -3.04 4.32 0.01 4.79 1.43 -1.26 -5.10 118.68 119.84 1w5w s LEU 97 Ca 0.12 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1w5w s LEU 97 Cb 0.05 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1w5w s LEU 97 CO -0.04 0.30 -0.06 0.20 0.23 0.00 0.00 176.35 176.97 1w5w s ASN 98 N -0.43 0.72 0.00 2.29 0.01 -1.26 -5.29 114.94 110.97 1w5w s ASN 98 Ca 0.13 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1w5w s ASN 98 Cb -0.12 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.51 1w5w s ASN 98 CO 0.02 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.80