#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 3.19 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.56 1w5w s GLN 2 Ca 0.00 -0.74 -0.06 0.00 0.05 0.00 0.00 55.36 54.62 1w5w s GLN 2 Cb 0.00 -2.71 -0.02 0.00 1.10 0.00 0.00 33.01 31.37 1w5w s GLN 2 CO 0.00 -0.11 0.02 0.42 -0.55 0.00 0.00 175.29 175.07 1w5w s ILE 3 N 1.14 4.00 0.65 -2.34 1.01 -1.26 -5.10 121.20 119.29 1w5w s ILE 3 Ca 0.01 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 1w5w s ILE 3 Cb -0.14 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.50 1w5w s ILE 3 CO -0.05 0.40 1.00 0.42 0.00 0.00 0.00 174.94 176.71 1w5w s THR 4 N 1.26 3.66 -0.24 2.92 -4.23 -1.26 -5.01 115.64 112.74 1w5w s THR 4 Ca 0.04 0.29 0.13 0.00 -1.18 0.00 0.00 61.69 60.97 1w5w s THR 4 Cb -0.15 -3.50 0.54 0.00 1.34 0.00 0.00 72.50 70.74 1w5w s THR 4 CO 0.02 -0.59 1.49 0.18 -0.54 0.00 0.00 174.62 175.17 1w5w n LEU 5 N -2.79 4.25 0.07 4.79 4.77 -1.26 -4.53 117.00 122.30 1w5w n LEU 5 Ca 0.06 -3.35 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 1w5w n LEU 5 Cb 0.57 -0.61 0.32 0.00 -2.33 0.00 0.00 43.42 41.37 1w5w n LEU 5 CO 0.55 0.93 0.84 -0.50 -1.33 0.00 0.00 177.39 177.88 1w5w h TRP 6 N 1.49 0.36 -2.51 -1.77 4.06 -2.06 -3.43 115.95 112.10 1w5w h TRP 6 Ca 0.13 -0.05 -0.52 0.00 2.06 0.00 0.00 58.89 60.51 1w5w h TRP 6 Cb 1.65 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.58 1w5w h TRP 6 CO 0.80 0.49 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.90 1w5w s GLN 7 N -4.66 1.71 0.30 0.49 1.11 -1.26 -5.10 119.66 112.25 1w5w s GLN 7 Ca -0.06 -1.94 -0.30 0.00 0.01 0.00 0.00 55.36 53.07 1w5w s GLN 7 Cb 0.15 -1.12 -0.11 0.00 -1.01 0.00 0.00 33.01 30.92 1w5w s GLN 7 CO 0.75 -0.11 1.57 1.03 0.01 0.00 0.00 175.29 178.55 1w5w s ARG 8 N -3.81 4.13 -1.32 2.91 0.52 -1.26 -4.86 118.95 115.25 1w5w s ARG 8 Ca 0.35 2.56 -0.17 0.00 -0.52 0.00 0.00 55.73 57.95 1w5w s ARG 8 Cb 0.08 -3.02 0.04 0.00 0.52 0.00 0.00 34.95 32.58 1w5w s ARG 8 CO 0.15 -0.61 1.89 -0.35 0.02 0.00 0.00 175.30 176.41 1w5w n PRO 9 N 1.93 2.94 -3.37 3.54 -0.04 -1.26 -4.95 135.00 133.79 1w5w n PRO 9 Ca 0.07 -3.00 -0.38 0.00 -0.04 0.00 0.00 63.50 60.15 1w5w n PRO 9 Cb 0.38 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.34 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 4.05 4.46 0.10 1.53 1.43 -1.26 -1.20 118.68 127.79 1w5w s LEU 10 Ca 0.53 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1w5w s LEU 10 Cb 0.07 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1w5w s LEU 10 CO 0.04 0.24 -0.01 0.68 0.23 0.00 0.00 176.35 177.53 1w5w s VAL 11 N -0.77 0.34 -0.03 -1.59 -7.23 0.76 -4.94 120.40 106.93 1w5w s VAL 11 Ca 0.27 -1.89 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 1w5w s VAL 11 Cb -0.18 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1w5w s VAL 11 CO 0.15 -0.75 0.49 -0.89 -0.31 0.00 0.00 175.10 173.79 1w5w s THR 12 N -3.86 5.02 0.19 5.32 2.01 -1.26 -0.37 115.64 122.68 1w5w s THR 12 Ca 0.15 1.01 0.08 0.00 0.31 0.00 0.00 61.69 63.24 1w5w s THR 12 Cb 0.07 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1w5w s THR 12 CO -0.04 0.46 -0.17 0.27 -0.69 0.00 0.00 174.62 174.45 1w5w s ILE 13 N -0.33 1.82 -0.15 1.82 -4.36 0.73 -3.05 121.20 117.68 1w5w s ILE 13 Ca 0.27 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1w5w s ILE 13 Cb -0.17 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.62 1w5w s ILE 13 CO 0.14 -0.43 -0.17 -0.75 0.24 0.00 0.00 174.94 173.97 1w5w s LYS 14 N -3.17 2.57 -0.11 0.37 2.20 -0.28 -1.09 119.74 120.23 1w5w s LYS 14 Ca 0.19 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 55.06 1w5w s LYS 14 Cb -0.04 -2.24 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 1w5w s LYS 14 CO 0.07 -0.18 0.26 -1.50 -0.36 0.00 0.00 175.35 173.65 1w5w s ILE 15 N 1.27 -0.02 -1.65 5.43 2.07 -0.22 -1.46 121.20 126.62 1w5w s ILE 15 Ca 0.02 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1w5w s ILE 15 Cb -0.14 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1w5w s ILE 15 CO -0.09 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 1w5w n GLY 16 N 3.71 -0.32 2.66 1.50 0.00 -1.26 -0.64 105.19 110.84 1w5w n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.92 0.69 3.65 -0.02 0.00 -1.26 -5.01 105.19 102.32 1w5w n GLY 17 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.16 2.63 -0.20 1.61 -0.21 0.19 -5.10 119.66 118.42 1w5w s GLN 18 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.36 54.55 1w5w s GLN 18 Cb 0.00 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 1w5w s GLN 18 CO 0.00 0.59 0.18 -0.51 -2.12 0.00 0.00 175.29 173.43 1w5w s LEU 19 N -1.72 4.20 0.08 2.90 1.43 -1.26 -1.06 118.68 123.25 1w5w s LEU 19 Ca 0.20 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.59 1w5w s LEU 19 Cb -0.11 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 1w5w s LEU 19 CO 0.11 0.14 -0.02 -0.54 0.23 0.00 0.00 176.35 176.27 1w5w s LYS 20 N 0.52 0.72 -0.16 1.70 1.02 -0.25 -4.98 119.74 118.31 1w5w s LYS 20 Ca 0.10 -1.29 -0.08 0.00 0.02 0.00 0.00 55.97 54.72 1w5w s LYS 20 Cb -0.12 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1w5w s LYS 20 CO 0.01 -0.12 0.12 -2.00 -0.92 0.00 0.00 175.35 172.44 1w5w s GLU 21 N -3.93 3.85 0.05 1.68 2.12 -1.26 -0.19 118.70 121.02 1w5w s GLU 21 Ca 0.11 -0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 1w5w s GLU 21 Cb 0.07 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1w5w s GLU 21 CO -0.07 0.48 -0.03 0.00 -0.54 0.00 0.00 175.26 175.10 1w5w s ALA 22 N -0.18 0.48 -0.20 6.30 0.00 0.51 -4.44 121.76 124.23 1w5w s ALA 22 Ca 0.10 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 1w5w s ALA 22 Cb -0.12 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1w5w s ALA 22 CO 0.01 -0.34 0.19 -1.17 0.00 0.00 0.00 175.76 174.44 1w5w s LEU 23 N -2.74 4.20 -0.48 0.00 2.96 -0.09 -0.17 118.68 122.35 1w5w s LEU 23 Ca 0.04 0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.95 1w5w s LEU 23 Cb 0.06 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1w5w s LEU 23 CO -0.09 0.13 1.23 -0.76 -1.32 0.00 0.00 176.35 175.54 1w5w s LEU 24 N 0.56 3.58 -0.37 -0.68 1.43 -0.34 -0.49 118.68 122.37 1w5w s LEU 24 Ca 0.10 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1w5w s LEU 24 Cb -0.12 -3.46 0.10 0.00 0.03 0.00 0.00 46.19 42.74 1w5w s LEU 24 CO 0.01 -1.37 0.10 -0.62 0.23 0.00 0.00 176.35 174.71 1w5w s ASP 25 N 3.04 4.91 0.35 2.29 -1.08 -0.18 -4.77 116.67 121.24 1w5w s ASP 25 Ca 0.51 -2.14 0.27 0.00 -0.52 0.00 0.00 52.55 50.67 1w5w s ASP 25 Cb -0.09 -1.69 1.11 0.00 -1.46 0.00 0.00 42.92 40.79 1w5w s ASP 25 CO 0.31 -0.43 1.80 0.71 0.52 0.00 0.00 175.17 178.08 1w5w h THR 26 N 6.51 0.00 -0.01 1.71 1.35 -1.93 -2.38 112.91 118.16 1w5w h THR 26 Ca -0.07 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1w5w h THR 26 Cb 1.03 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1w5w h THR 26 CO 0.58 0.00 -0.11 0.61 -0.25 0.00 0.00 175.52 176.35 1w5w n GLY 27 N 0.01 -0.66 3.62 5.82 0.00 -1.26 -4.79 105.19 107.94 1w5w n GLY 27 Ca 0.02 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.33 3.52 0.16 4.61 0.00 -0.90 -4.98 121.76 121.85 1w5w s ALA 28 Ca 0.32 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1w5w s ALA 28 Cb 0.20 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 21.04 1w5w s ALA 28 CO 0.44 -0.26 1.54 -0.44 0.00 0.00 0.00 175.76 177.04 1w5w h ASP 29 N 7.69 1.01 -0.86 0.00 3.32 -1.86 0.32 116.42 126.04 1w5w h ASP 29 Ca -0.37 -0.40 -0.66 0.00 0.02 0.00 0.00 57.03 55.62 1w5w h ASP 29 Cb 1.17 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 1w5w h ASP 29 CO 0.63 1.20 -0.52 -1.81 -1.72 0.00 0.00 179.24 177.02 1w5w s ASP 30 N -6.75 3.91 -0.20 6.45 1.01 -1.26 -2.51 116.67 117.31 1w5w s ASP 30 Ca -0.11 -1.65 -0.08 0.00 0.71 0.00 0.00 52.55 51.43 1w5w s ASP 30 Cb 0.12 0.49 -0.04 0.00 1.01 0.00 0.00 42.92 44.50 1w5w s ASP 30 CO 0.87 -0.85 0.07 -0.89 0.21 0.00 0.00 175.17 174.58 1w5w s THR 31 N -2.92 4.73 -0.04 -1.27 2.01 -1.26 -3.17 115.64 113.72 1w5w s THR 31 Ca 0.10 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1w5w s THR 31 Cb 0.02 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.40 1w5w s THR 31 CO 0.05 0.43 -0.05 0.54 -0.69 0.00 0.00 174.62 174.90 1w5w s VAL 32 N 0.61 0.58 0.22 3.82 0.11 -0.72 -0.30 120.40 124.73 1w5w s VAL 32 Ca 0.03 -0.17 0.11 0.00 -2.93 0.00 0.00 61.98 59.03 1w5w s VAL 32 Cb -0.13 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.09 1w5w s VAL 32 CO 0.01 0.23 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.06 1w5w s LEU 33 N 0.77 2.62 0.88 2.54 1.43 0.55 -0.46 118.68 127.01 1w5w s LEU 33 Ca -0.11 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 1w5w s LEU 33 Cb -0.14 -1.27 0.13 0.00 0.03 0.00 0.00 46.19 44.94 1w5w s LEU 33 CO 0.01 0.09 1.15 -1.83 0.23 0.00 0.00 176.35 175.99 1w5w s GLU 34 N -3.00 1.27 -0.06 1.70 -1.05 -1.26 -1.52 118.70 114.77 1w5w s GLU 34 Ca 0.25 1.52 -0.40 0.00 -0.15 0.00 0.00 54.97 56.19 1w5w s GLU 34 Cb -0.07 -1.76 -0.19 0.00 -0.44 0.00 0.00 34.13 31.67 1w5w s GLU 34 CO 0.13 -2.44 1.24 0.39 0.95 0.00 0.00 175.26 175.52 1w5w n GLU 35 N -4.02 0.32 -3.64 -4.83 -0.58 -1.20 -4.56 120.64 102.13 1w5w n GLU 35 Ca 0.12 0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.91 1w5w n GLU 35 Cb 0.52 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1w5w n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1w5w s MET 36 N 0.70 1.13 -0.19 3.49 0.23 -1.26 -5.03 119.30 118.37 1w5w s MET 36 Ca 0.92 -0.55 -0.15 0.00 -1.03 0.00 0.00 55.69 54.88 1w5w s MET 36 Cb -1.22 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 32.47 1w5w s MET 36 CO 0.59 -0.51 0.35 0.45 -2.03 0.00 0.00 175.02 173.87 1w5w s SER 37 N -2.76 6.42 0.11 -1.18 0.15 -1.26 -5.04 113.70 110.14 1w5w s SER 37 Ca 0.09 0.50 0.07 0.00 0.70 0.00 0.00 55.95 57.30 1w5w s SER 37 Cb -0.02 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1w5w s SER 37 CO -0.03 -0.01 -0.17 -0.76 1.20 0.00 0.00 173.24 173.47 1w5w s LEU 38 N 1.01 2.35 0.67 3.45 1.43 -1.26 -5.01 118.68 121.32 1w5w s LEU 38 Ca 0.18 -0.74 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 1w5w s LEU 38 Cb -0.14 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1w5w s LEU 38 CO 0.07 -0.04 1.07 -2.16 0.23 0.00 0.00 176.35 175.52 1w5w s PRO 39 N -2.24 3.14 0.00 1.29 0.04 -1.26 -4.96 135.00 131.02 1w5w s PRO 39 Ca 0.07 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1w5w s PRO 39 Cb -0.08 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1w5w s PRO 39 CO 0.04 -0.86 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1w5w n GLY 40 N -2.86 -0.60 3.90 0.56 0.00 -1.26 -4.96 105.19 99.97 1w5w n GLY 40 Ca 0.07 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1w5w n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w5w s ARG 41 N -1.14 3.59 0.19 1.61 3.52 -1.26 -5.10 118.95 120.36 1w5w s ARG 41 Ca 0.00 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1w5w s ARG 41 Cb 0.00 -2.43 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 1w5w s ARG 41 CO 0.00 -0.09 -0.00 1.67 -0.81 0.00 0.00 175.30 176.06 1w5w s TRP 42 N -2.56 1.35 0.00 5.12 1.48 -1.26 -4.62 118.94 118.45 1w5w s TRP 42 Ca 0.47 -0.97 0.06 0.00 -1.06 0.00 0.00 56.10 54.60 1w5w s TRP 42 Cb -0.10 -0.77 -0.02 0.00 -1.16 0.00 0.00 33.47 31.42 1w5w s TRP 42 CO 0.40 -0.14 -0.19 0.15 -4.06 0.00 0.00 176.95 173.11 1w5w s LYS 43 N -3.89 1.42 0.44 3.25 1.02 -0.60 -4.88 119.74 116.49 1w5w s LYS 43 Ca 0.26 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 55.29 1w5w s LYS 43 Cb 0.06 -1.42 -0.09 0.00 -0.52 0.00 0.00 37.83 35.86 1w5w s LYS 43 CO 0.06 0.38 1.03 -1.25 -0.92 0.00 0.00 175.35 174.65 1w5w s PRO 44 N -0.68 4.01 0.05 -1.68 0.04 -1.26 0.49 135.00 135.97 1w5w s PRO 44 Ca 0.07 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 1w5w s PRO 44 Cb -0.08 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.18 1w5w s PRO 44 CO 0.00 -0.26 0.31 0.21 0.04 0.00 0.00 177.00 177.30 1w5w s LYS 45 N -2.89 0.82 -0.14 4.56 2.20 -0.46 -4.85 119.74 118.98 1w5w s LYS 45 Ca 0.62 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.74 1w5w s LYS 45 Cb -0.18 0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 1w5w s LYS 45 CO 0.23 -0.26 -0.19 1.41 -0.36 0.00 0.00 175.35 176.17 1w5w s MET 46 N -2.61 3.12 -0.01 4.03 -2.45 -1.26 -0.64 119.30 119.49 1w5w s MET 46 Ca -0.05 -0.81 0.08 0.00 -1.25 0.00 0.00 55.69 53.66 1w5w s MET 46 Cb -0.01 -2.49 -0.02 0.00 1.25 0.00 0.00 34.83 33.56 1w5w s MET 46 CO -0.04 0.05 -0.25 0.96 1.05 0.00 0.00 175.02 176.79 1w5w s ILE 47 N 0.69 1.96 0.06 10.11 -4.36 -0.72 -4.95 121.20 123.99 1w5w s ILE 47 Ca -0.09 -1.12 0.10 0.00 -0.26 0.00 0.00 60.65 59.28 1w5w s ILE 47 Cb -0.16 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 1w5w s ILE 47 CO 0.01 0.50 -0.26 -0.83 0.24 0.00 0.00 174.94 174.60 1w5w s GLY 48 N -0.72 1.42 0.00 6.27 0.00 -1.26 -1.32 107.32 111.71 1w5w s GLY 48 Ca 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1w5w s GLY 48 CO -0.00 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1w5w n GLY 49 N 1.60 4.17 3.72 0.20 0.00 -0.45 -4.97 105.19 109.46 1w5w n GLY 49 Ca -0.17 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1w5w n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w5w s ILE 50 N -0.74 2.95 0.00 -0.61 1.09 -1.26 -2.14 121.20 120.49 1w5w s ILE 50 Ca 0.00 0.70 0.00 0.00 -1.10 0.00 0.00 60.65 60.25 1w5w s ILE 50 Cb 0.00 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 1w5w s ILE 50 CO 0.00 0.06 0.00 0.61 -0.10 0.00 0.00 174.94 175.51 1w5w n GLY 51 N 3.43 3.49 0.00 6.18 0.00 -1.26 -4.95 105.19 112.07 1w5w n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.99 0.63 3.78 -0.02 0.00 -0.91 -5.09 105.19 101.60 1w5w n GLY 52 Ca 0.00 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.85 3.07 0.06 1.61 0.40 -1.26 -1.34 117.98 119.67 1w5w s PHE 53 Ca 0.00 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1w5w s PHE 53 Cb 0.00 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1w5w s PHE 53 CO 0.00 0.52 -0.10 0.96 0.70 0.00 0.00 175.22 177.31 1w5w s ILE 54 N -1.89 0.74 -0.12 0.64 -4.36 -0.44 -4.96 121.20 110.81 1w5w s ILE 54 Ca 0.31 -1.26 -0.16 0.00 -0.26 0.00 0.00 60.65 59.28 1w5w s ILE 54 Cb -0.09 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1w5w s ILE 54 CO 0.23 -0.40 0.40 -0.75 0.24 0.00 0.00 174.94 174.67 1w5w s LYS 55 N -1.91 4.26 0.28 0.37 2.20 -1.26 -1.76 119.74 121.92 1w5w s LYS 55 Ca -0.05 0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.91 1w5w s LYS 55 Cb -0.08 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 1w5w s LYS 55 CO 0.00 0.24 0.05 0.14 -0.36 0.00 0.00 175.35 175.43 1w5w s VAL 56 N 0.39 1.00 -0.18 4.02 -7.23 0.19 -4.45 120.40 114.14 1w5w s VAL 56 Ca 0.22 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1w5w s VAL 56 Cb -0.14 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1w5w s VAL 56 CO 0.08 -0.08 0.01 -0.13 -0.31 0.00 0.00 175.10 174.67 1w5w s ARG 57 N -3.92 3.75 -0.26 4.82 0.52 0.68 -1.35 118.95 123.20 1w5w s ARG 57 Ca 0.35 -0.47 -0.14 0.00 -0.52 0.00 0.00 55.73 54.95 1w5w s ARG 57 Cb 0.08 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 1w5w s ARG 57 CO 0.13 0.17 0.34 -1.14 0.02 0.00 0.00 175.30 174.81 1w5w s GLN 58 N 0.61 4.04 -0.08 3.54 0.74 0.18 -0.74 119.66 127.94 1w5w s GLN 58 Ca -0.00 -0.00 0.02 0.00 0.05 0.00 0.00 55.36 55.43 1w5w s GLN 58 Cb -0.14 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 1w5w s GLN 58 CO 0.02 -0.19 -0.14 0.71 -0.55 0.00 0.00 175.29 175.14 1w5w s TYR 59 N 1.80 2.74 0.31 1.67 1.51 -0.27 -1.56 117.35 123.55 1w5w s TYR 59 Ca 0.14 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1w5w s TYR 59 Cb -0.15 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1w5w s TYR 59 CO 0.09 0.01 0.24 -0.51 -1.11 0.00 0.00 175.55 174.28 1w5w s ASP 60 N -0.27 5.26 -1.44 2.29 1.01 -1.26 -0.58 116.67 121.68 1w5w s ASP 60 Ca 0.02 -0.47 -0.08 0.00 0.71 0.00 0.00 52.55 52.74 1w5w s ASP 60 Cb -0.13 -1.05 0.05 0.00 1.01 0.00 0.00 42.92 42.79 1w5w s ASP 60 CO 0.03 -0.26 0.84 0.00 0.21 0.00 0.00 175.17 176.00 1w5w n GLN 61 N -1.29 -5.19 -3.59 8.23 3.00 -1.23 -4.93 117.38 112.38 1w5w n GLN 61 Ca -0.04 0.60 -0.37 0.00 -0.01 0.00 0.00 57.00 57.18 1w5w n GLN 61 Cb 0.59 -5.32 -0.06 0.00 0.00 0.00 0.00 30.24 25.45 1w5w n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1w5w s ILE 62 N -3.48 5.25 -0.10 5.09 -1.09 -0.45 -4.82 121.20 121.60 1w5w s ILE 62 Ca 0.36 0.59 -0.18 0.00 -2.23 0.00 0.00 60.65 59.19 1w5w s ILE 62 Cb -0.18 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1w5w s ILE 62 CO 0.83 0.50 0.47 -0.22 -1.23 0.00 0.00 174.94 175.29 1w5w s LEU 63 N -0.37 4.30 0.01 2.97 2.96 -1.26 -1.78 118.68 125.51 1w5w s LEU 63 Ca 0.19 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 1w5w s LEU 63 Cb -0.14 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 1w5w s LEU 63 CO 0.07 0.04 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.47 1w5w s ILE 64 N 0.42 0.25 -0.21 6.68 1.01 0.04 -4.53 121.20 124.86 1w5w s ILE 64 Ca 0.26 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1w5w s ILE 64 Cb -0.15 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 1w5w s ILE 64 CO 0.11 -0.18 -0.04 -1.61 0.00 0.00 0.00 174.94 173.22 1w5w s GLU 65 N -0.75 3.43 -0.29 2.79 2.02 -0.54 -0.51 118.70 124.84 1w5w s GLU 65 Ca -0.06 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.30 1w5w s GLU 65 Cb -0.05 -3.00 0.04 0.00 0.10 0.00 0.00 34.13 31.22 1w5w s GLU 65 CO -0.00 -0.13 -0.01 0.42 0.02 0.00 0.00 175.26 175.56 1w5w s ILE 66 N 1.32 3.04 -1.51 -1.63 1.01 0.80 -1.13 121.20 123.10 1w5w s ILE 66 Ca 0.04 -1.27 -0.13 0.00 0.00 0.00 0.00 60.65 59.28 1w5w s ILE 66 Cb -0.14 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.71 1w5w s ILE 66 CO -0.02 -0.04 0.89 0.00 0.00 0.00 0.00 174.94 175.78 1w5w n GLY 68 N -1.61 1.40 3.62 0.00 0.00 -1.26 -5.02 105.19 102.32 1w5w n GLY 68 Ca 0.03 0.00 -0.37 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 -2.96 3.27 0.19 1.61 4.02 0.19 -5.07 115.29 116.54 1w5w s HIS 69 Ca 0.00 0.21 -0.29 0.00 1.02 0.00 0.00 55.06 56.00 1w5w s HIS 69 Cb 0.00 -2.36 -0.08 0.00 -1.02 0.00 0.00 32.58 29.12 1w5w s HIS 69 CO 0.00 -0.06 0.92 0.15 1.02 0.00 0.00 174.74 176.76 1w5w s LYS 70 N 1.47 4.77 -0.00 1.40 1.02 -1.26 -0.14 119.74 127.00 1w5w s LYS 70 Ca 0.08 1.42 -0.09 0.00 0.02 0.00 0.00 55.97 57.41 1w5w s LYS 70 Cb -0.15 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1w5w s LYS 70 CO 0.08 0.45 0.19 0.00 -0.92 0.00 0.00 175.35 175.14 1w5w s ALA 71 N -0.86 -0.45 -0.01 5.17 0.00 0.33 -4.86 121.76 121.08 1w5w s ALA 71 Ca 0.42 0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.45 1w5w s ALA 71 Cb -0.25 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1w5w s ALA 71 CO 0.30 -0.22 -0.22 0.42 0.00 0.00 0.00 175.76 176.04 1w5w s ILE 72 N -1.32 1.76 -0.97 0.00 1.09 -1.26 -0.78 121.20 119.71 1w5w s ILE 72 Ca -0.14 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.43 1w5w s ILE 72 Cb -0.07 -1.46 0.00 0.00 -1.06 0.00 0.00 42.46 39.87 1w5w s ILE 72 CO 0.02 0.47 0.00 0.61 -0.10 0.00 0.00 174.94 175.94 1w5w n GLY 73 N 2.46 -1.41 3.75 6.18 0.00 -0.73 -4.93 105.19 110.51 1w5w n GLY 73 Ca -0.16 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.22 3.82 -0.07 2.61 2.01 -1.26 -1.34 115.64 119.18 1w5w s THR 74 Ca 0.00 1.75 0.02 0.00 0.31 0.00 0.00 61.69 63.77 1w5w s THR 74 Cb 0.00 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.41 1w5w s THR 74 CO 0.00 0.38 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.51 1w5w s VAL 75 N -0.89 1.10 -0.07 3.82 1.01 0.26 -4.47 120.40 121.15 1w5w s VAL 75 Ca 0.45 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 1w5w s VAL 75 Cb -0.29 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1w5w s VAL 75 CO 0.36 0.35 0.19 -0.76 0.00 0.00 0.00 175.10 175.24 1w5w s LEU 76 N 0.83 4.39 -0.10 3.92 1.43 0.59 -1.12 118.68 128.63 1w5w s LEU 76 Ca -0.12 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1w5w s LEU 76 Cb -0.15 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1w5w s LEU 76 CO 0.02 0.35 -0.16 -0.69 0.23 0.00 0.00 176.35 176.10 1w5w s VAL 77 N -1.14 1.48 -0.00 -1.59 1.01 0.08 -0.33 120.40 119.92 1w5w s VAL 77 Ca 0.20 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 1w5w s VAL 77 Cb -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1w5w s VAL 77 CO 0.10 0.44 0.26 0.61 0.00 0.00 0.00 175.10 176.50 1w5w n GLY 78 N 4.01 0.60 2.24 4.51 0.00 -0.58 -0.23 105.19 115.74 1w5w n GLY 78 Ca -0.20 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.19 1.18 -2.84 1.61 -0.04 -1.26 -3.20 135.00 130.26 1w5w n PRO 79 Ca 0.01 -0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 62.46 1w5w n PRO 79 Cb 0.12 -1.82 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 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 1.95 4.19 0.32 0.52 -1.32 -1.26 -4.95 115.64 115.09 1w5w s THR 80 Ca 0.38 1.93 0.35 0.00 -1.21 0.00 0.00 61.69 63.14 1w5w s THR 80 Cb 0.18 -4.24 0.38 0.00 -1.51 0.00 0.00 72.50 67.31 1w5w s THR 80 CO -0.00 0.49 2.10 1.55 -2.21 0.00 0.00 174.62 176.55 1w5w h PRO 81 N 4.16 0.00 -2.97 7.08 0.13 -1.98 -3.43 132.00 134.99 1w5w h PRO 81 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 1w5w h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1w5w h PRO 81 CO 0.67 0.03 -0.23 0.54 -0.23 0.00 0.00 178.00 178.78 1w5w s VAL 82 N -3.89 0.05 0.12 1.56 0.11 -1.26 -5.09 120.40 112.01 1w5w s VAL 82 Ca -0.01 -0.45 -0.31 0.00 -2.93 0.00 0.00 61.98 58.28 1w5w s VAL 82 Cb 0.11 -0.67 -0.07 0.00 -1.53 0.00 0.00 36.38 34.21 1w5w s VAL 82 CO 0.52 -0.25 1.30 0.20 -3.33 0.00 0.00 175.10 173.53 1w5w s ASN 83 N -1.39 6.94 -0.11 3.54 0.01 -1.26 -4.75 114.94 117.92 1w5w s ASN 83 Ca -0.13 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 54.28 1w5w s ASN 83 Cb -0.04 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1w5w s ASN 83 CO 0.04 -0.54 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.26 1w5w s ILE 84 N 0.80 1.83 -0.38 0.60 1.01 0.39 -0.91 121.20 124.54 1w5w s ILE 84 Ca 0.60 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 1w5w s ILE 84 Cb -0.34 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1w5w s ILE 84 CO 0.32 0.51 0.26 -0.63 0.00 0.00 0.00 174.94 175.39 1w5w s ILE 85 N 0.70 5.02 0.55 2.92 -1.09 0.36 -1.75 121.20 127.91 1w5w s ILE 85 Ca -0.11 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 1w5w s ILE 85 Cb -0.16 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.07 1w5w s ILE 85 CO 0.02 -0.22 0.75 0.61 -1.23 0.00 0.00 174.94 174.87 1w5w n GLY 86 N 5.09 1.12 0.37 6.18 0.00 -1.19 -1.01 105.19 115.76 1w5w n GLY 86 Ca -0.12 -2.08 0.14 0.00 0.00 0.00 0.00 46.02 43.96 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 0.47 -0.14 1.61 3.08 -0.93 -0.79 114.38 117.68 1w5w h ARG 87 Ca -0.25 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.81 1w5w h ARG 87 Cb 1.00 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1w5w h ARG 87 CO 0.30 0.31 0.14 -2.95 -1.07 0.00 0.00 179.97 176.70 1w5w h ASN 88 N 0.48 0.00 0.00 7.04 -1.07 -1.75 -2.03 115.58 118.25 1w5w h ASN 88 Ca 0.37 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.53 1w5w h ASN 88 Cb 0.76 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.97 1w5w h ASN 88 CO -0.13 0.00 -1.87 0.18 0.07 0.00 0.00 177.43 175.68 1w5w n LEU 89 N -3.97 0.00 -0.16 6.14 4.77 -0.73 -4.42 117.00 118.64 1w5w n LEU 89 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1w5w n LEU 89 Cb 0.26 0.28 0.29 0.00 -2.33 0.00 0.00 43.42 41.92 1w5w n LEU 89 CO 0.29 0.28 1.21 -0.07 -1.33 0.00 0.00 177.39 177.78 1w5w h LEU 90 N 0.00 0.76 -0.94 2.23 3.38 -0.81 -1.93 115.31 118.00 1w5w h LEU 90 Ca -0.31 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1w5w h LEU 90 Cb 1.66 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 1w5w h LEU 90 CO 0.02 0.55 0.12 0.71 0.09 0.00 0.00 178.44 179.93 1w5w h THR 91 N 0.89 1.24 0.00 0.22 1.35 -1.60 -1.84 112.91 113.17 1w5w h THR 91 Ca 0.24 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 1w5w h THR 91 Cb -0.10 0.66 -0.00 0.00 -1.73 0.00 0.00 68.15 66.98 1w5w h THR 91 CO -0.05 0.33 -0.16 1.56 -0.25 0.00 0.00 175.52 176.95 1w5w h GLN 92 N 0.86 0.00 -0.25 4.72 1.08 -1.56 -1.60 115.11 118.36 1w5w h GLN 92 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1w5w h GLN 92 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1w5w h GLN 92 CO 0.00 0.16 0.00 0.44 -0.95 0.00 0.00 178.83 178.48 1w5w n ILE 93 N -3.81 0.31 -2.04 2.54 -5.35 -1.07 -4.94 119.36 105.00 1w5w n ILE 93 Ca -0.02 -0.57 -0.06 0.00 -0.27 0.00 0.00 62.75 61.84 1w5w n ILE 93 Cb 0.26 0.88 -0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.36 0.18 3.73 3.28 0.00 -0.60 -5.01 105.19 108.13 1w5w n GLY 94 Ca 0.18 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 0.26 0.84 -0.17 0.00 -4.23 -1.26 -4.70 115.64 106.38 1w5w s THR 96 Ca 0.51 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.96 1w5w s THR 96 Cb -0.27 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 1w5w s THR 96 CO 0.31 -0.83 0.12 -0.76 -0.54 0.00 0.00 174.62 172.93 1w5w s LEU 97 N -3.08 4.18 -0.01 4.79 1.02 -1.26 -5.09 118.68 119.23 1w5w s LEU 97 Ca 0.14 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.58 1w5w s LEU 97 Cb 0.04 -2.06 -0.00 0.00 0.02 0.00 0.00 46.19 44.19 1w5w s LEU 97 CO -0.03 0.25 -0.07 0.20 0.02 0.00 0.00 176.35 176.72 1w5w s ASN 98 N -0.06 0.83 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.57 1w5w s ASN 98 Ca 0.09 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1w5w s ASN 98 Cb -0.11 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.02 1w5w s ASN 98 CO 0.00 0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.84