#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 3.02 -0.22 0.54 0.74 -1.26 -5.10 119.66 117.38 1w5v s GLN 2 Ca 0.00 -0.81 -0.06 0.00 0.05 0.00 0.00 55.36 54.53 1w5v s GLN 2 Cb 0.00 -2.60 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 1w5v s GLN 2 CO 0.00 -0.21 0.04 0.42 -0.55 0.00 0.00 175.29 175.00 1w5v s ILE 3 N 1.30 4.21 0.69 -2.34 1.01 -1.26 -5.09 121.20 119.71 1w5v s ILE 3 Ca 0.05 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1w5v s ILE 3 Cb -0.13 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1w5v s ILE 3 CO -0.12 0.39 1.06 0.42 0.00 0.00 0.00 174.94 176.69 1w5v s THR 4 N 1.26 3.41 -0.21 2.92 -4.23 -1.26 -5.01 115.64 112.53 1w5v s THR 4 Ca 0.04 0.35 0.15 0.00 -1.18 0.00 0.00 61.69 61.05 1w5v s THR 4 Cb -0.15 -3.44 0.52 0.00 1.34 0.00 0.00 72.50 70.78 1w5v s THR 4 CO 0.02 -0.55 1.43 0.18 -0.54 0.00 0.00 174.62 175.16 1w5v n LEU 5 N -2.94 3.94 0.09 4.79 4.77 -1.26 -4.55 117.00 121.84 1w5v n LEU 5 Ca 0.07 -3.19 0.02 0.00 -0.03 0.00 0.00 56.01 52.88 1w5v n LEU 5 Cb 0.58 -0.57 0.39 0.00 -2.33 0.00 0.00 43.42 41.49 1w5v n LEU 5 CO 0.57 0.80 0.95 -0.50 -1.33 0.00 0.00 177.39 177.88 1w5v h TRP 6 N 1.56 0.33 -2.42 -1.77 4.06 -2.06 -3.43 115.95 112.22 1w5v h TRP 6 Ca 0.06 -0.03 -0.53 0.00 2.06 0.00 0.00 58.89 60.45 1w5v h TRP 6 Cb 1.51 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 29.43 1w5v h TRP 6 CO 0.61 0.37 -0.64 -0.65 -3.56 0.00 0.00 178.44 174.57 1w5v s GLN 7 N -4.91 1.70 0.31 0.49 1.11 -1.26 -5.10 119.66 112.00 1w5v s GLN 7 Ca -0.06 -1.91 -0.30 0.00 0.01 0.00 0.00 55.36 53.10 1w5v s GLN 7 Cb 0.16 -1.23 -0.11 0.00 -1.01 0.00 0.00 33.01 30.82 1w5v s GLN 7 CO 0.73 -0.04 1.58 1.03 0.01 0.00 0.00 175.29 178.60 1w5v s ARG 8 N -3.76 4.11 -1.29 2.91 0.52 -1.26 -4.85 118.95 115.32 1w5v s ARG 8 Ca 0.33 2.60 -0.18 0.00 -0.52 0.00 0.00 55.73 57.95 1w5v s ARG 8 Cb 0.07 -3.00 0.05 0.00 0.52 0.00 0.00 34.95 32.58 1w5v s ARG 8 CO 0.15 -0.63 1.79 -0.35 0.02 0.00 0.00 175.30 176.28 1w5v n PRO 9 N 1.78 2.96 -3.48 3.54 -0.04 -1.26 -4.95 135.00 133.56 1w5v n PRO 9 Ca 0.07 -3.13 -0.38 0.00 -0.04 0.00 0.00 63.50 60.02 1w5v n PRO 9 Cb 0.38 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 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 5.00 4.41 0.13 1.53 1.43 -1.26 -1.17 118.68 128.74 1w5v s LEU 10 Ca 0.56 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1w5v s LEU 10 Cb 0.04 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1w5v s LEU 10 CO 0.08 0.24 0.01 0.68 0.23 0.00 0.00 176.35 177.59 1w5v s VAL 11 N -0.56 0.38 -0.06 -1.59 -7.23 0.27 -4.95 120.40 106.66 1w5v s VAL 11 Ca 0.23 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 1w5v s VAL 11 Cb -0.16 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 1w5v s VAL 11 CO 0.11 -0.61 0.49 -0.89 -0.31 0.00 0.00 175.10 173.89 1w5v s THR 12 N -3.85 5.07 0.18 5.32 2.01 -1.26 -0.68 115.64 122.43 1w5v s THR 12 Ca 0.19 1.01 0.10 0.00 0.31 0.00 0.00 61.69 63.30 1w5v s THR 12 Cb 0.07 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1w5v s THR 12 CO -0.00 0.41 -0.20 0.27 -0.69 0.00 0.00 174.62 174.41 1w5v s ILE 13 N -0.02 2.05 -0.17 1.82 -4.36 0.12 -2.89 121.20 117.76 1w5v s ILE 13 Ca 0.27 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.66 1w5v s ILE 13 Cb -0.16 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.59 1w5v s ILE 13 CO 0.13 -0.26 -0.18 -0.75 0.24 0.00 0.00 174.94 174.11 1w5v s LYS 14 N -2.83 2.80 -0.09 0.37 2.20 -0.11 -0.68 119.74 121.40 1w5v s LYS 14 Ca 0.19 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 1w5v s LYS 14 Cb -0.06 -2.43 0.04 0.00 -1.51 0.00 0.00 37.83 33.86 1w5v s LYS 14 CO 0.08 -0.21 0.21 -1.50 -0.36 0.00 0.00 175.35 173.57 1w5v s ILE 15 N 1.32 -0.03 -1.55 5.43 2.07 0.01 -1.30 121.20 127.16 1w5v s ILE 15 Ca 0.04 0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 59.38 1w5v s ILE 15 Cb -0.13 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.15 1w5v s ILE 15 CO -0.12 0.04 0.11 0.61 -1.91 0.00 0.00 174.94 173.68 1w5v n GLY 16 N 3.82 -0.50 2.54 1.50 0.00 -1.26 -0.57 105.19 110.71 1w5v n GLY 16 Ca -0.22 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.04 0.60 3.58 -0.02 0.00 -1.26 -5.01 105.19 102.03 1w5v n GLY 17 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.23 2.54 -0.21 1.61 -0.21 0.26 -5.11 119.66 118.32 1w5v s GLN 18 Ca 0.00 -0.71 -0.12 0.00 0.02 0.00 0.00 55.36 54.55 1w5v s GLN 18 Cb 0.00 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.48 1w5v s GLN 18 CO 0.00 0.61 0.20 -0.51 -2.12 0.00 0.00 175.29 173.47 1w5v s LEU 19 N -1.30 4.17 0.14 2.90 1.43 -1.26 -0.81 118.68 123.95 1w5v s LEU 19 Ca 0.16 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1w5v s LEU 19 Cb -0.11 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1w5v s LEU 19 CO 0.06 0.09 0.01 -0.54 0.23 0.00 0.00 176.35 176.20 1w5v s LYS 20 N 0.79 0.99 -0.18 1.70 1.02 0.14 -4.96 119.74 119.24 1w5v s LYS 20 Ca 0.11 -1.46 -0.08 0.00 0.02 0.00 0.00 55.97 54.55 1w5v s LYS 20 Cb -0.13 -0.05 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 1w5v s LYS 20 CO 0.03 -0.17 0.08 -2.00 -0.92 0.00 0.00 175.35 172.37 1w5v s GLU 21 N -3.96 3.99 0.09 1.68 2.12 -1.26 0.10 118.70 121.46 1w5v s GLU 21 Ca 0.22 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 55.26 1w5v s GLU 21 Cb 0.07 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1w5v s GLU 21 CO 0.02 0.31 -0.06 0.00 -0.54 0.00 0.00 175.26 174.98 1w5v s ALA 22 N 0.28 0.88 -0.19 6.30 0.00 0.14 -4.41 121.76 124.76 1w5v s ALA 22 Ca 0.05 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 1w5v s ALA 22 Cb -0.12 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1w5v s ALA 22 CO -0.00 -0.23 0.19 -1.17 0.00 0.00 0.00 175.76 174.55 1w5v s LEU 23 N -2.88 4.22 -0.53 0.00 2.96 0.36 -0.57 118.68 122.24 1w5v s LEU 23 Ca 0.09 0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 1w5v s LEU 23 Cb 0.04 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1w5v s LEU 23 CO -0.05 0.15 1.17 -0.76 -1.32 0.00 0.00 176.35 175.55 1w5v s LEU 24 N 0.39 3.53 -0.35 -0.68 1.43 -0.32 -0.32 118.68 122.35 1w5v s LEU 24 Ca 0.11 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.49 1w5v s LEU 24 Cb -0.12 -3.34 0.09 0.00 0.03 0.00 0.00 46.19 42.86 1w5v s LEU 24 CO 0.00 -1.39 0.08 -0.62 0.23 0.00 0.00 176.35 174.65 1w5v s ASP 25 N 2.77 4.91 0.35 2.29 -1.08 -0.25 -4.78 116.67 120.89 1w5v s ASP 25 Ca 0.45 -1.94 0.27 0.00 -0.52 0.00 0.00 52.55 50.82 1w5v s ASP 25 Cb -0.07 -1.70 1.09 0.00 -1.46 0.00 0.00 42.92 40.78 1w5v s ASP 25 CO 0.28 -0.40 1.80 0.71 0.52 0.00 0.00 175.17 178.08 1w5v h THR 26 N 6.53 0.00 -0.00 1.71 1.35 -1.93 -2.42 112.91 118.14 1w5v h THR 26 Ca -0.10 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1w5v h THR 26 Cb 1.04 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1w5v h THR 26 CO 0.57 0.00 -0.16 0.61 -0.25 0.00 0.00 175.52 176.29 1w5v n GLY 27 N 0.09 -0.85 3.65 5.82 0.00 -1.26 -4.80 105.19 107.83 1w5v n GLY 27 Ca 0.02 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.51 3.59 0.14 4.61 0.00 -0.91 -4.97 121.76 121.71 1w5v s ALA 28 Ca 0.27 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 1w5v s ALA 28 Cb 0.20 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1w5v s ALA 28 CO 0.50 -0.30 1.49 -0.44 0.00 0.00 0.00 175.76 177.00 1w5v h ASP 29 N 7.69 1.00 -0.73 0.00 3.32 -1.87 0.40 116.42 126.24 1w5v h ASP 29 Ca -0.37 -0.45 -0.64 0.00 0.02 0.00 0.00 57.03 55.60 1w5v h ASP 29 Cb 1.17 -0.28 -0.11 0.00 0.22 0.00 0.00 39.33 40.34 1w5v h ASP 29 CO 0.64 1.23 -0.48 -1.81 -1.72 0.00 0.00 179.24 177.11 1w5v s ASP 30 N -6.79 4.25 -0.18 6.45 1.01 -1.26 -2.69 116.67 117.46 1w5v s ASP 30 Ca -0.11 -1.45 -0.06 0.00 0.71 0.00 0.00 52.55 51.64 1w5v s ASP 30 Cb 0.11 0.25 -0.03 0.00 1.01 0.00 0.00 42.92 44.26 1w5v s ASP 30 CO 0.88 -0.82 0.01 -0.89 0.21 0.00 0.00 175.17 174.56 1w5v s THR 31 N -2.80 4.27 -0.05 -1.27 2.01 -1.26 -3.16 115.64 113.38 1w5v s THR 31 Ca 0.20 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.00 1w5v s THR 31 Cb 0.02 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.64 1w5v s THR 31 CO 0.11 0.46 -0.06 0.54 -0.69 0.00 0.00 174.62 174.98 1w5v s VAL 32 N 0.57 0.68 0.20 3.82 0.11 -0.66 -0.26 120.40 124.86 1w5v s VAL 32 Ca 0.00 -0.21 0.10 0.00 -2.93 0.00 0.00 61.98 58.94 1w5v s VAL 32 Cb -0.14 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1w5v s VAL 32 CO 0.02 0.25 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.13 1w5v s LEU 33 N 0.80 2.75 0.89 2.54 1.43 0.75 -0.49 118.68 127.35 1w5v s LEU 33 Ca -0.12 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1w5v s LEU 33 Cb -0.15 -1.42 0.13 0.00 0.03 0.00 0.00 46.19 44.78 1w5v s LEU 33 CO 0.01 0.09 1.13 -1.83 0.23 0.00 0.00 176.35 175.98 1w5v s GLU 34 N -2.93 1.27 -0.00 1.70 -1.05 -1.26 -1.62 118.70 114.81 1w5v s GLU 34 Ca 0.25 1.42 -0.40 0.00 -0.15 0.00 0.00 54.97 56.08 1w5v s GLU 34 Cb -0.08 -1.77 -0.19 0.00 -0.44 0.00 0.00 34.13 31.65 1w5v s GLU 34 CO 0.14 -2.41 1.13 0.39 0.95 0.00 0.00 175.26 175.46 1w5v n GLU 35 N -4.07 0.19 -3.61 -4.83 -0.58 -1.19 -4.56 120.64 101.99 1w5v n GLU 35 Ca 0.11 0.07 -0.06 0.00 -0.42 0.00 0.00 57.16 56.86 1w5v n GLU 35 Cb 0.52 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 1w5v n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1w5v s MET 36 N 0.19 0.94 -0.14 3.49 0.23 -1.26 -5.02 119.30 117.73 1w5v s MET 36 Ca 0.90 -0.44 -0.17 0.00 -1.03 0.00 0.00 55.69 54.96 1w5v s MET 36 Cb -1.23 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 32.41 1w5v s MET 36 CO 0.56 -0.42 0.41 0.45 -2.03 0.00 0.00 175.02 173.99 1w5v s SER 37 N -2.69 6.58 0.09 -1.18 0.15 -1.26 -5.04 113.70 110.36 1w5v s SER 37 Ca 0.08 0.69 0.05 0.00 0.70 0.00 0.00 55.95 57.47 1w5v s SER 37 Cb -0.01 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.02 1w5v s SER 37 CO -0.04 0.03 -0.13 -0.76 1.20 0.00 0.00 173.24 173.54 1w5v s LEU 38 N 0.61 2.35 0.66 3.45 1.43 -1.26 -5.01 118.68 120.90 1w5v s LEU 38 Ca 0.22 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1w5v s LEU 38 Cb -0.14 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1w5v s LEU 38 CO 0.08 -0.15 1.06 -2.16 0.23 0.00 0.00 176.35 175.41 1w5v s PRO 39 N -2.28 3.27 0.00 1.29 0.04 -1.26 -4.96 135.00 131.09 1w5v s PRO 39 Ca 0.03 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1w5v s PRO 39 Cb -0.07 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1w5v s PRO 39 CO 0.02 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1w5v n GLY 40 N -2.86 -0.58 3.90 0.56 0.00 -1.26 -4.96 105.19 99.99 1w5v n GLY 40 Ca 0.06 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 1w5v n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1w5v s ARG 41 N -1.02 3.59 0.13 1.61 3.52 -1.26 -5.10 118.95 120.42 1w5v s ARG 41 Ca 0.00 0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.81 1w5v s ARG 41 Cb 0.00 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1w5v s ARG 41 CO 0.00 -0.11 -0.06 1.67 -0.81 0.00 0.00 175.30 175.99 1w5v s TRP 42 N -2.58 1.09 0.04 5.12 1.48 -1.26 -4.61 118.94 118.21 1w5v s TRP 42 Ca 0.47 -0.89 0.08 0.00 -1.06 0.00 0.00 56.10 54.70 1w5v s TRP 42 Cb -0.10 -0.60 -0.03 0.00 -1.16 0.00 0.00 33.47 31.58 1w5v s TRP 42 CO 0.40 -0.09 -0.22 0.15 -4.06 0.00 0.00 176.95 173.13 1w5v s LYS 43 N -3.83 1.55 0.43 3.25 1.02 -0.72 -4.88 119.74 116.56 1w5v s LYS 43 Ca 0.16 -0.97 -0.22 0.00 0.02 0.00 0.00 55.97 54.96 1w5v s LYS 43 Cb 0.05 -1.66 -0.09 0.00 -0.52 0.00 0.00 37.83 35.60 1w5v s LYS 43 CO -0.01 0.43 1.02 -1.25 -0.92 0.00 0.00 175.35 174.61 1w5v s PRO 44 N -1.11 4.09 0.03 -1.68 0.04 -1.26 0.19 135.00 135.29 1w5v s PRO 44 Ca 0.09 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.34 1w5v s PRO 44 Cb -0.09 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1w5v s PRO 44 CO 0.02 -0.18 0.33 0.21 0.04 0.00 0.00 177.00 177.42 1w5v s LYS 45 N -2.84 0.79 -0.13 4.56 2.20 -0.65 -4.86 119.74 118.81 1w5v s LYS 45 Ca 0.61 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.84 1w5v s LYS 45 Cb -0.17 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.49 1w5v s LYS 45 CO 0.22 -0.25 -0.16 1.41 -0.36 0.00 0.00 175.35 176.20 1w5v s MET 46 N -2.19 3.24 -0.02 4.03 -2.45 -1.26 -0.78 119.30 119.87 1w5v s MET 46 Ca -0.07 -0.75 0.07 0.00 -1.25 0.00 0.00 55.69 53.68 1w5v s MET 46 Cb -0.02 -2.55 -0.02 0.00 1.25 0.00 0.00 34.83 33.49 1w5v s MET 46 CO -0.01 0.13 -0.22 0.96 1.05 0.00 0.00 175.02 176.93 1w5v s ILE 47 N 0.52 1.77 -0.05 10.11 -4.36 -0.70 -4.95 121.20 123.55 1w5v s ILE 47 Ca -0.11 -0.96 0.03 0.00 -0.26 0.00 0.00 60.65 59.36 1w5v s ILE 47 Cb -0.16 -1.47 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1w5v s ILE 47 CO 0.04 0.50 -0.13 -0.83 0.24 0.00 0.00 174.94 174.76 1w5v s GLY 48 N -0.52 1.56 0.00 6.27 0.00 -1.26 -1.31 107.32 112.06 1w5v s GLY 48 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1w5v s GLY 48 CO -0.01 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 172.94 1w5v n GLY 49 N 2.26 5.34 3.71 0.20 0.00 -0.25 -4.97 105.19 111.47 1w5v n GLY 49 Ca -0.17 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1w5v n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1w5v s ILE 50 N -0.10 3.61 0.00 -0.61 1.09 -1.26 -2.62 121.20 121.32 1w5v s ILE 50 Ca 0.00 1.15 0.00 0.00 -1.10 0.00 0.00 60.65 60.70 1w5v s ILE 50 Cb 0.00 -3.74 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1w5v s ILE 50 CO 0.00 0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 1w5v n GLY 51 N 3.40 2.77 0.00 6.18 0.00 -1.26 -4.97 105.19 111.31 1w5v n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.67 0.85 3.76 -0.02 0.00 -1.08 -5.10 105.19 102.93 1w5v n GLY 52 Ca 0.00 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.20 3.06 0.06 1.61 0.40 -1.26 -1.09 117.98 118.56 1w5v s PHE 53 Ca 0.00 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1w5v s PHE 53 Cb 0.00 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 1w5v s PHE 53 CO 0.00 0.52 -0.10 0.96 0.70 0.00 0.00 175.22 177.30 1w5v s ILE 54 N -1.74 0.74 -0.09 0.64 -4.36 -0.43 -4.96 121.20 111.00 1w5v s ILE 54 Ca 0.30 -1.25 -0.18 0.00 -0.26 0.00 0.00 60.65 59.25 1w5v s ILE 54 Cb -0.10 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.69 1w5v s ILE 54 CO 0.22 -0.39 0.48 -0.75 0.24 0.00 0.00 174.94 174.74 1w5v s LYS 55 N -1.90 4.29 0.26 0.37 2.20 -1.26 -1.72 119.74 121.98 1w5v s LYS 55 Ca -0.05 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1w5v s LYS 55 Cb -0.08 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1w5v s LYS 55 CO 0.01 0.24 0.04 0.14 -0.36 0.00 0.00 175.35 175.41 1w5v s VAL 56 N 0.36 0.90 -0.18 4.02 -7.23 0.03 -4.42 120.40 113.88 1w5v s VAL 56 Ca 0.26 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.36 1w5v s VAL 56 Cb -0.16 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1w5v s VAL 56 CO 0.11 -0.16 0.03 -0.13 -0.31 0.00 0.00 175.10 174.64 1w5v s ARG 57 N -3.93 3.81 -0.27 4.82 0.52 0.11 -1.63 118.95 122.38 1w5v s ARG 57 Ca 0.33 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.98 1w5v s ARG 57 Cb 0.07 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1w5v s ARG 57 CO 0.11 0.18 0.31 -1.14 0.02 0.00 0.00 175.30 174.79 1w5v s GLN 58 N 0.58 3.99 -0.09 3.54 0.74 0.13 -0.72 119.66 127.82 1w5v s GLN 58 Ca 0.01 -0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.34 1w5v s GLN 58 Cb -0.13 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1w5v s GLN 58 CO 0.02 -0.25 -0.11 0.71 -0.55 0.00 0.00 175.29 175.11 1w5v s TYR 59 N 1.96 2.82 0.34 1.67 1.51 -0.24 -1.76 117.35 123.65 1w5v s TYR 59 Ca 0.12 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1w5v s TYR 59 Cb -0.16 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1w5v s TYR 59 CO 0.10 0.05 0.28 -0.51 -1.11 0.00 0.00 175.55 174.36 1w5v s ASP 60 N -0.25 5.22 -1.48 2.29 1.01 -1.26 -0.38 116.67 121.81 1w5v s ASP 60 Ca 0.02 -0.53 -0.10 0.00 0.71 0.00 0.00 52.55 52.65 1w5v s ASP 60 Cb -0.13 -0.94 0.06 0.00 1.01 0.00 0.00 42.92 42.92 1w5v s ASP 60 CO 0.03 -0.35 0.88 0.00 0.21 0.00 0.00 175.17 175.94 1w5v n GLN 61 N -1.35 -5.22 -3.55 8.23 3.00 -1.23 -4.92 117.38 112.34 1w5v n GLN 61 Ca -0.02 0.59 -0.37 0.00 -0.01 0.00 0.00 57.00 57.18 1w5v n GLN 61 Cb 0.60 -5.36 -0.06 0.00 0.00 0.00 0.00 30.24 25.42 1w5v n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1w5v s ILE 62 N -3.42 5.19 -0.12 5.09 -1.09 -0.39 -4.83 121.20 121.63 1w5v s ILE 62 Ca 0.47 0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 59.40 1w5v s ILE 62 Cb -0.24 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1w5v s ILE 62 CO 0.83 0.51 0.40 -0.22 -1.23 0.00 0.00 174.94 175.23 1w5v s LEU 63 N -0.49 4.28 0.01 2.97 2.96 -1.26 -1.60 118.68 125.54 1w5v s LEU 63 Ca 0.21 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.84 1w5v s LEU 63 Cb -0.15 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1w5v s LEU 63 CO 0.09 0.07 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.52 1w5v s ILE 64 N 0.42 0.30 -0.25 6.68 1.01 0.22 -4.51 121.20 125.07 1w5v s ILE 64 Ca 0.22 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 1w5v s ILE 64 Cb -0.14 -0.30 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 1w5v s ILE 64 CO 0.08 -0.05 0.02 -1.61 0.00 0.00 0.00 174.94 173.38 1w5v s GLU 65 N -0.44 3.31 -0.30 2.79 2.02 -0.42 -0.37 118.70 125.29 1w5v s GLU 65 Ca -0.02 -0.69 -0.05 0.00 0.02 0.00 0.00 54.97 54.23 1w5v s GLU 65 Cb -0.03 -3.18 0.03 0.00 0.10 0.00 0.00 34.13 31.04 1w5v s GLU 65 CO -0.00 -0.28 0.05 0.42 0.02 0.00 0.00 175.26 175.47 1w5v s ILE 66 N 1.50 3.60 -1.58 -1.63 1.01 0.68 -0.93 121.20 123.84 1w5v s ILE 66 Ca 0.04 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 1w5v s ILE 66 Cb -0.15 -2.93 0.10 0.00 0.01 0.00 0.00 42.46 39.49 1w5v s ILE 66 CO -0.00 0.01 0.77 0.00 0.00 0.00 0.00 174.94 175.71 1w5v n GLY 68 N -1.61 2.08 3.65 0.00 0.00 -1.26 -5.02 105.19 103.03 1w5v n GLY 68 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.52 3.33 0.14 1.61 4.02 0.59 -5.05 115.29 117.40 1w5v s HIS 69 Ca 0.00 0.59 -0.30 0.00 1.02 0.00 0.00 55.06 56.38 1w5v s HIS 69 Cb 0.00 -2.58 -0.06 0.00 -1.02 0.00 0.00 32.58 28.92 1w5v s HIS 69 CO 0.00 -0.10 0.95 0.15 1.02 0.00 0.00 174.74 176.75 1w5v s LYS 70 N 1.64 4.72 0.01 1.40 1.02 -1.26 -0.23 119.74 127.03 1w5v s LYS 70 Ca 0.19 1.44 -0.06 0.00 0.02 0.00 0.00 55.97 57.56 1w5v s LYS 70 Cb -0.15 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1w5v s LYS 70 CO 0.09 0.29 0.10 0.00 -0.92 0.00 0.00 175.35 174.90 1w5v s ALA 71 N -0.26 -0.21 -0.02 5.17 0.00 0.50 -4.86 121.76 122.07 1w5v s ALA 71 Ca 0.45 -0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1w5v s ALA 71 Cb -0.24 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1w5v s ALA 71 CO 0.30 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 176.09 1w5v s ILE 72 N -1.47 1.51 -0.56 0.00 1.01 -1.26 -0.61 121.20 119.82 1w5v s ILE 72 Ca -0.15 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1w5v s ILE 72 Cb -0.08 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1w5v s ILE 72 CO 0.01 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1w5v n GLY 73 N 2.77 -1.28 3.75 6.18 0.00 -0.63 -4.93 105.19 111.04 1w5v n GLY 73 Ca -0.16 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.25 3.89 -0.07 2.61 2.01 -1.26 -1.26 115.64 119.31 1w5v s THR 74 Ca 0.00 1.81 0.02 0.00 0.31 0.00 0.00 61.69 63.83 1w5v s THR 74 Cb 0.00 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1w5v s THR 74 CO 0.00 0.39 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.51 1w5v s VAL 75 N -0.87 1.14 -0.05 3.82 1.01 0.48 -4.48 120.40 121.45 1w5v s VAL 75 Ca 0.44 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 1w5v s VAL 75 Cb -0.28 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1w5v s VAL 75 CO 0.35 0.36 0.19 -0.76 0.00 0.00 0.00 175.10 175.24 1w5v s LEU 76 N 0.71 4.38 -0.08 3.92 1.43 0.64 -1.08 118.68 128.60 1w5v s LEU 76 Ca -0.14 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1w5v s LEU 76 Cb -0.16 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 43.66 1w5v s LEU 76 CO 0.03 0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 176.09 1w5v s VAL 77 N -1.20 1.40 -0.01 -1.59 1.01 0.10 -0.18 120.40 119.94 1w5v s VAL 77 Ca 0.22 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1w5v s VAL 77 Cb -0.13 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1w5v s VAL 77 CO 0.12 0.42 0.31 0.61 0.00 0.00 0.00 175.10 176.56 1w5v n GLY 78 N 3.86 0.48 2.26 4.51 0.00 -0.64 0.07 105.19 115.73 1w5v n GLY 78 Ca -0.21 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.22 1.19 -2.89 1.61 -0.04 -1.26 -3.14 135.00 130.25 1w5v n PRO 79 Ca 0.01 -0.63 -0.40 0.00 -0.04 0.00 0.00 63.50 62.44 1w5v n PRO 79 Cb 0.14 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.70 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 2.02 4.26 0.26 0.52 -1.32 -1.26 -4.95 115.64 115.16 1w5v s THR 80 Ca 0.37 1.86 0.34 0.00 -1.21 0.00 0.00 61.69 63.06 1w5v s THR 80 Cb 0.17 -4.22 0.38 0.00 -1.51 0.00 0.00 72.50 67.32 1w5v s THR 80 CO -0.00 0.51 2.06 1.55 -2.21 0.00 0.00 174.62 176.52 1w5v h PRO 81 N 4.30 0.00 -3.19 7.08 0.13 -1.98 -3.42 132.00 134.91 1w5v h PRO 81 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1w5v h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 1w5v h PRO 81 CO 0.67 0.04 -0.32 0.54 -0.23 0.00 0.00 178.00 178.70 1w5v s VAL 82 N -3.83 0.07 0.11 1.56 0.11 -1.26 -5.08 120.40 112.09 1w5v s VAL 82 Ca -0.01 -0.57 -0.31 0.00 -2.93 0.00 0.00 61.98 58.16 1w5v s VAL 82 Cb 0.10 -0.64 -0.07 0.00 -1.53 0.00 0.00 36.38 34.24 1w5v s VAL 82 CO 0.53 -0.31 1.27 0.20 -3.33 0.00 0.00 175.10 173.46 1w5v s ASN 83 N -1.49 6.97 -0.12 3.54 0.01 -1.26 -4.73 114.94 117.86 1w5v s ASN 83 Ca -0.12 2.19 0.02 0.00 -0.71 0.00 0.00 52.86 54.25 1w5v s ASN 83 Cb -0.05 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1w5v s ASN 83 CO 0.02 -0.52 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.27 1w5v s ILE 84 N 0.80 1.83 -0.41 0.60 1.01 0.35 -0.49 121.20 124.91 1w5v s ILE 84 Ca 0.60 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1w5v s ILE 84 Cb -0.33 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1w5v s ILE 84 CO 0.32 0.51 0.29 -0.63 0.00 0.00 0.00 174.94 175.42 1w5v s ILE 85 N 0.83 5.20 0.69 2.92 -1.09 0.57 -1.65 121.20 128.66 1w5v s ILE 85 Ca -0.08 -0.68 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1w5v s ILE 85 Cb -0.16 -3.89 0.13 0.00 -1.58 0.00 0.00 42.46 36.96 1w5v s ILE 85 CO -0.01 -0.30 0.94 0.61 -1.23 0.00 0.00 174.94 174.96 1w5v n GLY 86 N 5.14 0.89 0.39 6.18 0.00 -1.19 -1.09 105.19 115.51 1w5v n GLY 86 Ca -0.11 -2.07 0.16 0.00 0.00 0.00 0.00 46.02 44.01 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 0.43 -0.16 1.61 3.08 -0.95 -0.86 114.38 117.54 1w5v h ARG 87 Ca -0.31 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.76 1w5v h ARG 87 Cb 1.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1w5v h ARG 87 CO 0.35 0.29 0.14 -2.95 -1.07 0.00 0.00 179.97 176.73 1w5v h ASN 88 N 0.45 0.00 0.00 7.04 -1.07 -1.77 -2.03 115.58 118.20 1w5v h ASN 88 Ca 0.41 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.54 1w5v h ASN 88 Cb 0.94 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.14 1w5v h ASN 88 CO -0.15 0.00 -1.99 0.18 0.07 0.00 0.00 177.43 175.54 1w5v n LEU 89 N -4.12 0.00 -0.09 6.14 4.77 -0.59 -4.41 117.00 118.70 1w5v n LEU 89 Ca 0.01 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1w5v n LEU 89 Cb 0.27 0.34 0.32 0.00 -2.33 0.00 0.00 43.42 42.01 1w5v n LEU 89 CO 0.31 0.34 1.14 -0.07 -1.33 0.00 0.00 177.39 177.78 1w5v h LEU 90 N 0.00 0.65 -0.98 2.23 3.38 -0.88 -1.83 115.31 117.88 1w5v h LEU 90 Ca -0.37 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1w5v h LEU 90 Cb 1.82 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 1w5v h LEU 90 CO 0.02 0.52 0.07 0.71 0.09 0.00 0.00 178.44 179.85 1w5v h THR 91 N 0.75 1.23 0.00 0.22 1.35 -1.60 -1.75 112.91 113.11 1w5v h THR 91 Ca 0.19 -0.90 -0.03 0.00 -0.55 0.00 0.00 66.41 65.13 1w5v h THR 91 Cb 0.00 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1w5v h THR 91 CO -0.03 0.33 -0.15 1.56 -0.25 0.00 0.00 175.52 176.97 1w5v h GLN 92 N 0.77 0.00 -0.38 4.72 1.08 -1.54 -1.79 115.11 117.97 1w5v h GLN 92 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1w5v h GLN 92 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1w5v h GLN 92 CO 0.01 0.15 0.00 0.44 -0.95 0.00 0.00 178.83 178.48 1w5v n ILE 93 N -3.66 0.49 -2.15 2.54 -5.35 -1.05 -4.94 119.36 105.25 1w5v n ILE 93 Ca -0.02 -0.71 -0.07 0.00 -0.27 0.00 0.00 62.75 61.69 1w5v n ILE 93 Cb 0.27 0.87 -0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.47 0.11 3.73 3.28 0.00 -0.67 -5.00 105.19 108.10 1w5v n GLY 94 Ca 0.19 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 0.24 0.93 -0.19 0.00 -4.23 -1.26 -4.69 115.64 106.44 1w5v s THR 96 Ca 0.50 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1w5v s THR 96 Cb -0.25 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.59 1w5v s THR 96 CO 0.31 -0.65 0.12 -0.76 -0.54 0.00 0.00 174.62 173.09 1w5v s LEU 97 N -3.16 4.15 -0.01 4.79 1.02 -1.26 -5.09 118.68 119.11 1w5v s LEU 97 Ca 0.19 0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.58 1w5v s LEU 97 Cb 0.04 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 44.19 1w5v s LEU 97 CO 0.01 0.20 -0.06 0.20 0.02 0.00 0.00 176.35 176.73 1w5v s ASN 98 N 0.21 0.77 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.79 1w5v s ASN 98 Ca 0.08 -0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.25 1w5v s ASN 98 Cb -0.11 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 1w5v s ASN 98 CO -0.01 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.79