#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w5v s GLN 2 N 0.00 3.57 -0.19 0.54 0.74 -1.26 -5.09 119.66 117.97 1w5v s GLN 2 Ca 0.00 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 54.83 1w5v s GLN 2 Cb 0.00 -2.96 -0.00 0.00 1.10 0.00 0.00 33.01 31.15 1w5v s GLN 2 CO 0.00 0.09 -0.09 0.42 -0.55 0.00 0.00 175.29 175.15 1w5v s ILE 3 N 0.77 3.05 0.76 -2.34 1.01 -1.26 -5.11 121.20 118.09 1w5v s ILE 3 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 1w5v s ILE 3 Cb -0.14 -2.35 0.09 0.00 0.01 0.00 0.00 42.46 40.06 1w5v s ILE 3 CO 0.02 0.47 1.09 0.42 0.00 0.00 0.00 174.94 176.94 1w5v s THR 4 N 1.17 2.17 -0.18 2.92 -4.23 -1.26 -5.03 115.64 111.20 1w5v s THR 4 Ca 0.02 -0.20 0.15 0.00 -1.18 0.00 0.00 61.69 60.48 1w5v s THR 4 Cb -0.14 -2.97 0.40 0.00 1.34 0.00 0.00 72.50 71.13 1w5v s THR 4 CO -0.03 0.00 1.27 0.18 -0.54 0.00 0.00 174.62 175.50 1w5v n LEU 5 N -3.11 3.00 0.23 4.79 4.77 -1.26 -4.59 117.00 120.83 1w5v n LEU 5 Ca 0.09 -3.40 0.10 0.00 -0.03 0.00 0.00 56.01 52.78 1w5v n LEU 5 Cb 0.60 -0.51 0.56 0.00 -2.33 0.00 0.00 43.42 41.75 1w5v n LEU 5 CO 0.52 0.97 0.86 -0.50 -1.33 0.00 0.00 177.39 177.91 1w5v h TRP 6 N 0.73 0.00 -2.92 -1.77 4.06 -2.06 -3.43 115.95 110.56 1w5v h TRP 6 Ca 0.04 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.54 1w5v h TRP 6 Cb 1.19 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.21 1w5v h TRP 6 CO 0.45 0.21 -0.66 1.14 -3.56 0.00 0.00 178.44 176.02 1w5v s GLN 7 N -3.98 1.48 0.35 0.49 -2.07 -1.26 -5.11 119.66 109.56 1w5v s GLN 7 Ca -0.02 -1.76 -0.29 0.00 -1.82 0.00 0.00 55.36 51.48 1w5v s GLN 7 Cb 0.12 -0.91 -0.11 0.00 -1.09 0.00 0.00 33.01 31.02 1w5v s GLN 7 CO 0.63 -0.04 1.54 1.03 -1.32 0.00 0.00 175.29 177.13 1w5v s ARG 8 N -3.80 4.10 -1.34 9.60 0.52 -1.26 -4.84 118.95 121.93 1w5v s ARG 8 Ca 0.30 2.60 -0.16 0.00 -0.52 0.00 0.00 55.73 57.94 1w5v s ARG 8 Cb 0.05 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.57 1w5v s ARG 8 CO 0.11 -0.59 2.03 -0.35 0.02 0.00 0.00 175.30 176.52 1w5v n PRO 9 N 1.12 2.80 -3.34 3.54 -0.04 -1.26 -4.93 135.00 132.89 1w5v n PRO 9 Ca 0.04 -2.76 -0.38 0.00 -0.04 0.00 0.00 63.50 60.36 1w5v n PRO 9 Cb 0.38 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 1w5v n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w5v s LEU 10 N 3.20 4.41 0.19 1.53 1.43 -1.26 -1.33 118.68 126.85 1w5v s LEU 10 Ca 0.51 1.02 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1w5v s LEU 10 Cb 0.10 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 1w5v s LEU 10 CO -0.01 0.17 0.03 0.68 0.23 0.00 0.00 176.35 177.45 1w5v s VAL 11 N -0.39 0.60 -0.06 -1.59 -7.23 0.25 -4.94 120.40 107.04 1w5v s VAL 11 Ca 0.27 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 1w5v s VAL 11 Cb -0.17 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1w5v s VAL 11 CO 0.14 -0.38 0.41 -0.89 -0.31 0.00 0.00 175.10 174.08 1w5v s THR 12 N -3.71 5.11 0.21 5.32 2.01 -1.26 -0.67 115.64 122.65 1w5v s THR 12 Ca 0.27 0.83 0.10 0.00 0.31 0.00 0.00 61.69 63.20 1w5v s THR 12 Cb 0.06 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1w5v s THR 12 CO 0.06 0.48 -0.19 0.27 -0.69 0.00 0.00 174.62 174.55 1w5v s ILE 13 N -0.36 2.08 -0.12 1.82 -4.36 0.34 -2.11 121.20 118.50 1w5v s ILE 13 Ca 0.23 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1w5v s ILE 13 Cb -0.16 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.51 1w5v s ILE 13 CO 0.11 -0.36 -0.16 -0.75 0.24 0.00 0.00 174.94 174.02 1w5v s LYS 14 N -3.15 2.30 -0.11 0.37 2.20 0.36 -1.28 119.74 120.43 1w5v s LYS 14 Ca 0.22 -0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 55.17 1w5v s LYS 14 Cb -0.05 -1.98 0.04 0.00 -1.51 0.00 0.00 37.83 34.33 1w5v s LYS 14 CO 0.10 -0.10 0.27 -1.50 -0.36 0.00 0.00 175.35 173.75 1w5v s ILE 15 N 1.08 -0.02 -1.65 5.43 2.07 -0.43 -1.13 121.20 126.55 1w5v s ILE 15 Ca -0.04 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1w5v s ILE 15 Cb -0.14 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1w5v s ILE 15 CO -0.04 0.03 0.37 0.61 -1.91 0.00 0.00 174.94 174.01 1w5v n GLY 16 N 3.55 -0.52 2.72 1.50 0.00 -1.26 -1.24 105.19 109.95 1w5v n GLY 16 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1w5v n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5v n GLY 17 N -1.33 0.31 3.48 -0.02 0.00 -1.26 -4.99 105.19 101.37 1w5v n GLY 17 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1w5v n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w5v s GLN 18 N -0.89 2.01 -0.05 1.61 -0.21 -0.37 -5.12 119.66 116.65 1w5v s GLN 18 Ca 0.00 -1.03 -0.16 0.00 0.02 0.00 0.00 55.36 54.19 1w5v s GLN 18 Cb 0.00 -2.18 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1w5v s GLN 18 CO 0.00 0.52 0.41 -0.51 -2.12 0.00 0.00 175.29 173.60 1w5v s LEU 19 N -1.69 4.40 0.05 2.90 1.43 -1.26 -1.32 118.68 123.19 1w5v s LEU 19 Ca 0.16 0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1w5v s LEU 19 Cb -0.11 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1w5v s LEU 19 CO 0.07 0.22 -0.00 -0.54 0.23 0.00 0.00 176.35 176.33 1w5v s LYS 20 N -0.47 0.64 -0.13 1.70 1.02 -0.40 -4.98 119.74 117.11 1w5v s LYS 20 Ca 0.24 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 54.97 1w5v s LYS 20 Cb -0.16 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1w5v s LYS 20 CO 0.12 -0.13 0.10 -1.21 -0.92 0.00 0.00 175.35 173.31 1w5v s GLU 21 N -3.90 3.51 0.05 1.68 2.02 -1.26 -0.50 118.70 120.29 1w5v s GLU 21 Ca 0.07 -0.22 -0.01 0.00 0.02 0.00 0.00 54.97 54.83 1w5v s GLU 21 Cb 0.08 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 31.12 1w5v s GLU 21 CO -0.10 0.65 -0.03 0.00 0.02 0.00 0.00 175.26 175.79 1w5v s ALA 22 N -0.67 0.49 -0.18 5.21 0.00 0.15 -4.43 121.76 122.34 1w5v s ALA 22 Ca 0.12 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.82 1w5v s ALA 22 Cb -0.12 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1w5v s ALA 22 CO 0.02 -0.34 0.20 -1.17 0.00 0.00 0.00 175.76 174.47 1w5v s LEU 23 N -2.76 4.23 -0.45 0.00 2.96 0.22 -0.58 118.68 122.29 1w5v s LEU 23 Ca 0.05 0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 1w5v s LEU 23 Cb 0.06 -2.21 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1w5v s LEU 23 CO -0.09 0.15 1.11 -0.76 -1.32 0.00 0.00 176.35 175.44 1w5v s LEU 24 N 0.39 3.70 -0.34 -0.68 1.43 -0.44 -0.54 118.68 122.20 1w5v s LEU 24 Ca 0.12 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1w5v s LEU 24 Cb -0.12 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.68 1w5v s LEU 24 CO 0.00 -1.19 0.05 -0.62 0.23 0.00 0.00 176.35 174.83 1w5v s ASP 25 N 2.33 4.73 0.52 2.29 -1.08 -0.40 -4.78 116.67 120.28 1w5v s ASP 25 Ca 0.47 -2.13 0.34 0.00 -0.52 0.00 0.00 52.55 50.71 1w5v s ASP 25 Cb -0.08 -1.59 1.55 0.00 -1.46 0.00 0.00 42.92 41.34 1w5v s ASP 25 CO 0.29 -0.38 2.02 0.71 0.52 0.00 0.00 175.17 178.33 1w5v h THR 26 N 6.61 0.00 -0.00 1.71 1.35 -1.93 -2.15 112.91 118.49 1w5v h THR 26 Ca -0.05 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1w5v h THR 26 Cb 1.02 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1w5v h THR 26 CO 0.52 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 176.31 1w5v n GLY 27 N -0.32 -1.07 3.59 5.82 0.00 -1.26 -4.77 105.19 107.18 1w5v n GLY 27 Ca -0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1w5v n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5v s ALA 28 N -2.53 3.47 0.19 4.61 0.00 -0.81 -4.98 121.76 121.71 1w5v s ALA 28 Ca 0.28 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1w5v s ALA 28 Cb 0.20 -2.26 0.10 0.00 0.00 0.00 0.00 23.12 21.16 1w5v s ALA 28 CO 0.48 -0.30 1.58 -0.44 0.00 0.00 0.00 175.76 177.08 1w5v h ASP 29 N 7.79 0.87 -0.56 0.00 3.32 -1.86 0.15 116.42 126.12 1w5v h ASP 29 Ca -0.37 -0.34 -0.66 0.00 0.02 0.00 0.00 57.03 55.68 1w5v h ASP 29 Cb 1.18 -0.24 -0.12 0.00 0.22 0.00 0.00 39.33 40.36 1w5v h ASP 29 CO 0.62 1.08 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.90 1w5v s ASP 30 N -6.77 4.14 -0.20 6.45 1.01 -1.26 -2.53 116.67 117.52 1w5v s ASP 30 Ca -0.10 -1.58 -0.05 0.00 0.71 0.00 0.00 52.55 51.53 1w5v s ASP 30 Cb 0.12 0.38 -0.03 0.00 1.01 0.00 0.00 42.92 44.40 1w5v s ASP 30 CO 0.85 -0.81 0.01 -0.89 0.21 0.00 0.00 175.17 174.54 1w5v s THR 31 N -2.84 4.12 -0.05 -1.27 2.01 -1.26 -2.90 115.64 113.44 1w5v s THR 31 Ca 0.12 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1w5v s THR 31 Cb 0.02 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1w5v s THR 31 CO 0.07 0.43 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.63 1w5v s VAL 32 N 0.87 0.97 0.21 3.82 1.01 -0.59 -0.32 120.40 126.37 1w5v s VAL 32 Ca 0.01 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 61.70 1w5v s VAL 32 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1w5v s VAL 32 CO 0.02 0.31 -0.13 -0.76 0.00 0.00 0.00 175.10 174.55 1w5v s LEU 33 N 0.62 2.84 0.78 3.92 1.43 0.79 -0.42 118.68 128.65 1w5v s LEU 33 Ca -0.12 -0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 52.14 1w5v s LEU 33 Cb -0.14 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.65 1w5v s LEU 33 CO 0.03 0.09 1.17 -1.61 0.23 0.00 0.00 176.35 176.25 1w5v s GLU 34 N -3.00 1.91 -0.09 1.70 2.02 -1.26 -1.85 118.70 118.14 1w5v s GLU 34 Ca 0.25 1.61 -0.41 0.00 0.02 0.00 0.00 54.97 56.44 1w5v s GLU 34 Cb -0.08 -1.82 -0.20 0.00 0.10 0.00 0.00 34.13 32.13 1w5v s GLU 34 CO 0.15 -1.97 1.15 -1.91 0.02 0.00 0.00 175.26 172.70 1w5v n GLU 35 N -3.18 0.00 -3.81 1.61 4.07 -1.22 -4.66 120.64 113.45 1w5v n GLU 35 Ca 0.12 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.18 1w5v n GLU 35 Cb 0.51 -1.49 -0.00 0.00 -0.06 0.00 0.00 31.44 30.40 1w5v n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1w5v s MET 36 N 0.52 1.43 -0.21 5.31 0.23 -1.26 -5.05 119.30 120.27 1w5v s MET 36 Ca 0.93 -0.85 -0.09 0.00 -1.03 0.00 0.00 55.69 54.65 1w5v s MET 36 Cb -1.30 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.41 1w5v s MET 36 CO 0.61 -0.66 0.11 0.45 -2.03 0.00 0.00 175.02 173.50 1w5v s SER 37 N -3.07 5.89 0.13 -1.18 0.15 -1.26 -5.06 113.70 109.30 1w5v s SER 37 Ca 0.15 0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.97 1w5v s SER 37 Cb -0.03 -2.04 -0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1w5v s SER 37 CO 0.05 0.12 -0.17 -0.76 1.20 0.00 0.00 173.24 173.68 1w5v s LEU 38 N 0.74 2.40 0.66 3.45 1.43 -1.26 -5.00 118.68 121.09 1w5v s LEU 38 Ca 0.06 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 1w5v s LEU 38 Cb -0.13 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 1w5v s LEU 38 CO 0.02 -0.07 1.05 -2.16 0.23 0.00 0.00 176.35 175.42 1w5v s PRO 39 N -2.57 3.27 0.54 1.29 0.04 -1.26 -4.96 135.00 131.35 1w5v s PRO 39 Ca 0.11 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1w5v s PRO 39 Cb -0.06 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1w5v s PRO 39 CO 0.05 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1w5v n GLY 40 N -2.54 -2.24 3.91 0.56 0.00 -1.26 -4.93 105.19 98.68 1w5v n GLY 40 Ca 0.07 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 1w5v n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w5v s ARG 41 N -0.34 3.62 0.21 1.61 0.52 -1.26 -5.10 118.95 118.20 1w5v s ARG 41 Ca 0.00 0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.37 1w5v s ARG 41 Cb 0.00 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 1w5v s ARG 41 CO 0.00 0.08 -0.16 1.67 0.02 0.00 0.00 175.30 176.91 1w5v s TRP 42 N -2.30 1.83 0.19 -0.53 1.48 -1.26 -4.66 118.94 113.69 1w5v s TRP 42 Ca 0.45 -0.51 0.11 0.00 -1.06 0.00 0.00 56.10 55.09 1w5v s TRP 42 Cb -0.10 -0.85 -0.04 0.00 -1.16 0.00 0.00 33.47 31.31 1w5v s TRP 42 CO 0.34 0.41 -0.20 0.15 -4.06 0.00 0.00 176.95 173.60 1w5v s LYS 43 N -3.45 1.68 0.36 3.25 1.02 -0.61 -4.88 119.74 117.11 1w5v s LYS 43 Ca 0.22 -1.46 -0.21 0.00 0.02 0.00 0.00 55.97 54.54 1w5v s LYS 43 Cb -0.02 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 1w5v s LYS 43 CO 0.08 0.41 0.89 -1.25 -0.92 0.00 0.00 175.35 174.56 1w5v s PRO 44 N -2.73 4.30 -0.04 -1.68 0.04 -1.26 -0.22 135.00 133.41 1w5v s PRO 44 Ca 0.22 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 1w5v s PRO 44 Cb -0.08 -2.47 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1w5v s PRO 44 CO 0.11 0.13 0.38 0.21 0.04 0.00 0.00 177.00 177.88 1w5v s LYS 45 N -2.71 0.71 -0.13 4.56 2.20 -1.00 -4.85 119.74 118.51 1w5v s LYS 45 Ca 0.56 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 56.17 1w5v s LYS 45 Cb -0.13 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.51 1w5v s LYS 45 CO 0.18 -0.19 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.16 1w5v s MET 46 N -1.09 3.20 -0.03 4.03 -1.94 -1.26 -1.13 119.30 121.08 1w5v s MET 46 Ca -0.11 -0.78 0.06 0.00 -1.71 0.00 0.00 55.69 53.15 1w5v s MET 46 Cb -0.04 -2.52 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 1w5v s MET 46 CO 0.05 0.11 -0.21 0.96 -0.01 0.00 0.00 175.02 175.91 1w5v s ILE 47 N 0.56 1.72 -0.13 2.53 -4.36 -0.91 -4.98 121.20 115.64 1w5v s ILE 47 Ca -0.11 -0.91 -0.04 0.00 -0.26 0.00 0.00 60.65 59.33 1w5v s ILE 47 Cb -0.16 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1w5v s ILE 47 CO 0.04 0.49 0.01 -0.83 0.24 0.00 0.00 174.94 174.89 1w5v s GLY 48 N -0.31 1.84 0.00 6.27 0.00 -1.26 -1.83 107.32 112.02 1w5v s GLY 48 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1w5v s GLY 48 CO 0.01 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.48 1w5v n GLY 49 N 2.94 4.91 0.32 0.20 0.00 0.84 -4.98 105.19 109.41 1w5v n GLY 49 Ca -0.18 -2.06 0.10 0.00 0.00 0.00 0.00 46.02 43.88 1w5v n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1w5v h ILE 50 N 0.77 0.96 -0.16 -0.61 2.10 -2.02 -2.73 117.51 115.82 1w5v h ILE 50 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1w5v h ILE 50 Cb 0.00 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.41 1w5v h ILE 50 CO 0.00 0.05 0.00 0.61 -1.08 0.00 0.00 178.15 177.73 1w5v n GLY 51 N -1.53 1.19 0.00 8.18 0.00 -1.26 -5.08 105.19 106.69 1w5v n GLY 51 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1w5v n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w5v n GLY 52 N 1.34 0.84 3.62 -0.02 0.00 -1.03 -5.11 105.19 104.83 1w5v n GLY 52 Ca 0.15 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 1w5v n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w5v s PHE 53 N -2.53 2.75 0.05 1.61 0.40 -1.26 -0.11 117.98 118.88 1w5v s PHE 53 Ca 0.00 -0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1w5v s PHE 53 Cb 0.00 -1.34 -0.03 0.00 0.51 0.00 0.00 43.02 42.16 1w5v s PHE 53 CO 0.00 0.51 -0.08 0.96 0.70 0.00 0.00 175.22 177.31 1w5v s ILE 54 N -1.69 0.58 -0.08 0.64 -4.36 -0.76 -4.98 121.20 110.54 1w5v s ILE 54 Ca 0.26 -1.14 -0.18 0.00 -0.26 0.00 0.00 60.65 59.34 1w5v s ILE 54 Cb -0.09 -0.69 -0.05 0.00 1.25 0.00 0.00 42.46 42.88 1w5v s ILE 54 CO 0.17 -0.40 0.48 -0.54 0.24 0.00 0.00 174.94 174.89 1w5v s LYS 55 N -1.71 4.25 0.25 0.37 1.02 -1.26 -2.13 119.74 120.54 1w5v s LYS 55 Ca -0.08 0.48 0.03 0.00 0.02 0.00 0.00 55.97 56.42 1w5v s LYS 55 Cb -0.09 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1w5v s LYS 55 CO 0.00 0.30 0.02 0.14 -0.92 0.00 0.00 175.35 174.89 1w5v s VAL 56 N 0.15 1.04 -0.18 3.17 -7.23 -0.29 -4.49 120.40 112.57 1w5v s VAL 56 Ca 0.26 -2.03 -0.07 0.00 -1.81 0.00 0.00 61.98 58.33 1w5v s VAL 56 Cb -0.16 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1w5v s VAL 56 CO 0.12 -0.22 0.06 -0.13 -0.31 0.00 0.00 175.10 174.61 1w5v s ARG 57 N -3.88 3.95 -0.27 4.82 0.52 0.90 -2.38 118.95 122.62 1w5v s ARG 57 Ca 0.31 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 1w5v s ARG 57 Cb 0.06 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 1w5v s ARG 57 CO 0.11 0.26 0.18 -1.14 0.02 0.00 0.00 175.30 174.72 1w5v s GLN 58 N 0.41 3.96 -0.09 3.54 0.74 0.69 -0.52 119.66 128.38 1w5v s GLN 58 Ca 0.03 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.13 1w5v s GLN 58 Cb -0.13 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.34 1w5v s GLN 58 CO 0.00 -0.13 -0.12 0.71 -0.55 0.00 0.00 175.29 175.20 1w5v s TYR 59 N 1.62 2.81 0.21 1.67 1.51 -0.30 -1.57 117.35 123.30 1w5v s TYR 59 Ca 0.07 -0.34 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1w5v s TYR 59 Cb -0.15 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1w5v s TYR 59 CO 0.09 0.03 0.14 -0.51 -1.11 0.00 0.00 175.55 174.19 1w5v s ASP 60 N -0.20 5.42 -1.31 2.29 1.01 -1.26 -0.96 116.67 121.65 1w5v s ASP 60 Ca 0.01 -0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.04 1w5v s ASP 60 Cb -0.13 -1.36 -0.00 0.00 1.01 0.00 0.00 42.92 42.43 1w5v s ASP 60 CO 0.03 0.02 0.68 1.67 0.21 0.00 0.00 175.17 177.78 1w5v n GLN 61 N -0.70 -4.59 -3.63 8.23 7.27 -1.13 -4.92 117.38 117.91 1w5v n GLN 61 Ca -0.08 0.60 -0.36 0.00 0.07 0.00 0.00 57.00 57.22 1w5v n GLN 61 Cb 0.56 -5.09 -0.07 0.00 2.41 0.00 0.00 30.24 28.05 1w5v n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1w5v s ILE 62 N -3.69 5.33 -0.03 1.69 -1.09 0.33 -4.75 121.20 118.98 1w5v s ILE 62 Ca 0.02 0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 58.61 1w5v s ILE 62 Cb -0.01 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1w5v s ILE 62 CO 0.82 0.47 0.97 -0.22 -1.23 0.00 0.00 174.94 175.75 1w5v s LEU 63 N -0.07 4.33 -0.09 2.97 2.96 -1.26 -1.30 118.68 126.23 1w5v s LEU 63 Ca 0.16 1.59 -0.05 0.00 -0.22 0.00 0.00 54.13 55.61 1w5v s LEU 63 Cb -0.13 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1w5v s LEU 63 CO 0.04 -0.30 0.21 -0.51 -1.32 0.00 0.00 176.35 174.47 1w5v s ILE 64 N 1.28 -0.04 -0.21 6.68 2.07 0.32 -4.55 121.20 126.76 1w5v s ILE 64 Ca 0.50 0.14 -0.09 0.00 -1.41 0.00 0.00 60.65 59.79 1w5v s ILE 64 Cb -0.20 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.01 1w5v s ILE 64 CO 0.25 0.06 0.10 -0.70 -1.91 0.00 0.00 174.94 172.73 1w5v s GLU 65 N 1.08 3.97 -0.23 3.50 2.12 -0.28 -0.23 118.70 128.63 1w5v s GLU 65 Ca -0.08 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 54.93 1w5v s GLU 65 Cb -0.09 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 30.97 1w5v s GLU 65 CO -0.07 0.12 -0.13 0.42 -0.54 0.00 0.00 175.26 175.06 1w5v s ILE 66 N 0.82 2.28 -1.42 -3.70 1.01 0.16 -0.49 121.20 119.87 1w5v s ILE 66 Ca 0.05 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1w5v s ILE 66 Cb -0.13 -2.16 0.08 0.00 0.01 0.00 0.00 42.46 40.26 1w5v s ILE 66 CO 0.02 0.23 0.65 0.00 0.00 0.00 0.00 174.94 175.84 1w5v n GLY 68 N -1.34 2.75 3.68 0.00 0.00 -1.26 -5.02 105.19 104.00 1w5v n GLY 68 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1w5v n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w5v s HIS 69 N -2.22 3.46 0.04 1.61 4.02 0.69 -5.04 115.29 117.85 1w5v s HIS 69 Ca 0.00 1.13 -0.26 0.00 1.02 0.00 0.00 55.06 56.95 1w5v s HIS 69 Cb 0.00 -2.85 -0.05 0.00 -1.02 0.00 0.00 32.58 28.66 1w5v s HIS 69 CO 0.00 -0.09 0.80 0.15 1.02 0.00 0.00 174.74 176.61 1w5v s LYS 70 N 1.56 4.52 0.07 1.40 1.02 -1.26 0.36 119.74 127.41 1w5v s LYS 70 Ca 0.34 1.11 0.03 0.00 0.02 0.00 0.00 55.97 57.48 1w5v s LYS 70 Cb -0.17 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1w5v s LYS 70 CO 0.14 0.22 -0.10 0.00 -0.92 0.00 0.00 175.35 174.69 1w5v s ALA 71 N 0.14 0.91 -0.16 5.17 0.00 0.68 -4.93 121.76 123.56 1w5v s ALA 71 Ca 0.40 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1w5v s ALA 71 Cb -0.21 0.03 0.05 0.00 0.00 0.00 0.00 23.12 22.99 1w5v s ALA 71 CO 0.24 -0.02 0.03 0.42 0.00 0.00 0.00 175.76 176.43 1w5v s ILE 72 N -1.97 0.44 0.00 0.00 1.01 -1.26 -0.52 121.20 118.90 1w5v s ILE 72 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1w5v s ILE 72 Cb -0.06 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1w5v s ILE 72 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1w5v n GLY 73 N 5.09 2.15 3.71 6.18 0.00 -0.42 -4.79 105.19 117.12 1w5v n GLY 73 Ca -0.08 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1w5v n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w5v s THR 74 N -2.76 4.82 -0.06 2.61 2.01 -1.26 -0.51 115.64 120.49 1w5v s THR 74 Ca 0.00 2.06 0.03 0.00 0.31 0.00 0.00 61.69 64.08 1w5v s THR 74 Cb 0.00 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1w5v s THR 74 CO 0.00 0.18 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.27 1w5v s VAL 75 N 0.88 1.31 -0.01 3.82 1.01 -0.14 -4.54 120.40 122.73 1w5v s VAL 75 Ca 0.51 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1w5v s VAL 75 Cb -0.21 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1w5v s VAL 75 CO 0.28 0.39 0.17 -0.76 0.00 0.00 0.00 175.10 175.18 1w5v s LEU 76 N 0.47 4.30 -0.08 3.92 1.43 0.57 -1.15 118.68 128.13 1w5v s LEU 76 Ca -0.12 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1w5v s LEU 76 Cb -0.15 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.54 1w5v s LEU 76 CO 0.04 0.27 -0.13 -0.69 0.23 0.00 0.00 176.35 176.07 1w5v s VAL 77 N -1.30 1.24 0.01 -1.59 1.01 0.32 -0.14 120.40 119.94 1w5v s VAL 77 Ca 0.26 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1w5v s VAL 77 Cb -0.12 -1.14 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1w5v s VAL 77 CO 0.18 0.38 0.29 0.61 0.00 0.00 0.00 175.10 176.56 1w5v n GLY 78 N 3.99 0.70 2.35 4.51 0.00 -0.77 -0.07 105.19 115.90 1w5v n GLY 78 Ca -0.21 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1w5v n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1w5v n PRO 79 N -0.21 1.70 -3.03 1.61 -0.04 -1.26 -3.38 135.00 130.38 1w5v n PRO 79 Ca 0.01 -1.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.09 1w5v n PRO 79 Cb 0.14 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 1w5v n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1w5v s THR 80 N 2.38 4.50 0.39 0.52 -1.32 -1.26 -4.96 115.64 115.89 1w5v s THR 80 Ca 0.43 1.38 0.23 0.00 -1.21 0.00 0.00 61.69 62.51 1w5v s THR 80 Cb 0.16 -3.87 0.24 0.00 -1.51 0.00 0.00 72.50 67.52 1w5v s THR 80 CO -0.02 0.17 2.00 -0.65 -2.21 0.00 0.00 174.62 173.92 1w5v h PRO 81 N 3.30 0.00 -3.43 7.08 0.11 -1.98 -3.43 132.00 133.65 1w5v h PRO 81 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1w5v h PRO 81 Cb 1.19 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 1w5v h PRO 81 CO 0.65 0.18 -0.18 0.14 -0.21 0.00 0.00 178.00 178.58 1w5v s VAL 82 N -4.23 0.09 0.07 3.15 -7.23 -1.26 -5.08 120.40 105.91 1w5v s VAL 82 Ca -0.03 -0.72 -0.31 0.00 -1.81 0.00 0.00 61.98 59.11 1w5v s VAL 82 Cb 0.14 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 1w5v s VAL 82 CO 0.63 -0.40 1.26 0.20 -0.31 0.00 0.00 175.10 176.48 1w5v s ASN 83 N -2.58 7.00 -0.13 4.85 0.01 -1.26 -4.69 114.94 118.15 1w5v s ASN 83 Ca 0.01 2.10 0.03 0.00 -0.71 0.00 0.00 52.86 54.28 1w5v s ASN 83 Cb 0.02 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.11 1w5v s ASN 83 CO -0.09 -0.53 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.13 1w5v s ILE 84 N 1.15 1.95 -0.39 0.60 1.01 0.44 -0.61 121.20 125.35 1w5v s ILE 84 Ca 0.60 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1w5v s ILE 84 Cb -0.31 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1w5v s ILE 84 CO 0.29 0.53 0.29 -0.63 0.00 0.00 0.00 174.94 175.42 1w5v s ILE 85 N 0.79 5.26 0.62 2.92 -1.09 0.30 -1.54 121.20 128.46 1w5v s ILE 85 Ca -0.08 -0.55 -0.00 0.00 -2.23 0.00 0.00 60.65 57.79 1w5v s ILE 85 Cb -0.16 -3.88 0.12 0.00 -1.58 0.00 0.00 42.46 36.96 1w5v s ILE 85 CO -0.01 -0.24 0.85 0.61 -1.23 0.00 0.00 174.94 174.93 1w5v n GLY 86 N 5.15 0.68 0.36 6.18 0.00 -1.14 -1.28 105.19 115.14 1w5v n GLY 86 Ca -0.11 -2.02 0.16 0.00 0.00 0.00 0.00 46.02 44.04 1w5v n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w5v h ARG 87 N 0.00 0.17 -0.60 1.61 3.08 -0.69 -0.46 114.38 117.50 1w5v h ARG 87 Ca -0.28 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.81 1w5v h ARG 87 Cb 1.05 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 1w5v h ARG 87 CO 0.30 0.11 0.40 -2.95 -1.07 0.00 0.00 179.97 176.76 1w5v h ASN 88 N 0.18 0.52 0.10 7.04 -1.07 -1.75 -1.68 115.58 118.92 1w5v h ASN 88 Ca 0.25 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.32 1w5v h ASN 88 Cb 0.75 -0.11 -0.06 0.00 -2.07 0.00 0.00 38.32 36.83 1w5v h ASN 88 CO -0.04 0.34 -2.20 0.18 0.07 0.00 0.00 177.43 175.78 1w5v n LEU 89 N -4.47 0.16 -0.16 6.14 4.77 -0.65 -4.02 117.00 118.76 1w5v n LEU 89 Ca 0.08 0.07 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1w5v n LEU 89 Cb 0.22 0.37 0.30 0.00 -2.33 0.00 0.00 43.42 41.98 1w5v n LEU 89 CO 0.34 0.40 1.22 -0.07 -1.33 0.00 0.00 177.39 177.95 1w5v h LEU 90 N 0.00 0.76 -0.96 2.23 3.38 -0.84 -1.16 115.31 118.72 1w5v h LEU 90 Ca -0.43 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1w5v h LEU 90 Cb 2.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 1w5v h LEU 90 CO 0.03 0.55 -0.34 0.71 0.09 0.00 0.00 178.44 179.48 1w5v h THR 91 N 0.89 1.28 -0.12 0.22 1.35 -1.48 -0.57 112.91 114.48 1w5v h THR 91 Ca 0.24 -1.39 -0.07 0.00 -0.55 0.00 0.00 66.41 64.65 1w5v h THR 91 Cb -0.10 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1w5v h THR 91 CO -0.05 0.42 -0.25 1.56 -0.25 0.00 0.00 175.52 176.95 1w5v h GLN 92 N 0.29 0.21 -0.27 4.72 4.20 -1.36 -2.27 115.11 120.64 1w5v h GLN 92 Ca 0.04 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1w5v h GLN 92 Cb 0.74 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1w5v h GLN 92 CO 0.06 0.45 0.00 0.44 -0.67 0.00 0.00 178.83 179.11 1w5v n ILE 93 N -4.17 0.34 -2.31 2.54 -5.35 -1.01 -4.93 119.36 104.48 1w5v n ILE 93 Ca -0.01 -0.50 -0.08 0.00 -0.27 0.00 0.00 62.75 61.89 1w5v n ILE 93 Cb 0.35 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1w5v n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1w5v n GLY 94 N 1.25 0.13 3.73 3.28 0.00 -0.85 -5.01 105.19 107.72 1w5v n GLY 94 Ca 0.17 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1w5v n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w5v s THR 96 N -0.17 0.63 -0.14 0.00 -4.23 -1.26 -4.69 115.64 105.79 1w5v s THR 96 Ca 0.47 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 1w5v s THR 96 Cb -0.24 -1.53 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1w5v s THR 96 CO 0.31 -0.82 0.22 -0.76 -0.54 0.00 0.00 174.62 173.03 1w5v s LEU 97 N -2.84 4.31 0.01 4.79 1.43 -1.26 -5.09 118.68 120.02 1w5v s LEU 97 Ca 0.09 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1w5v s LEU 97 Cb 0.03 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1w5v s LEU 97 CO -0.05 0.25 -0.06 0.20 0.23 0.00 0.00 176.35 176.92 1w5v s ASN 98 N -0.23 0.64 0.00 2.29 0.01 -1.26 -5.29 114.94 111.10 1w5v s ASN 98 Ca 0.15 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.10 1w5v s ASN 98 Cb -0.13 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1w5v s ASN 98 CO 0.04 -0.00 0.00 2.22 -1.51 0.00 0.00 177.10 177.84