#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr1 s GLN 2 N 0.00 1.12 0.19 2.12 -2.07 -1.26 -3.10 119.66 116.65 1wr1 s GLN 2 Ca 0.00 -1.56 -0.05 0.00 -1.82 0.00 0.00 55.36 51.93 1wr1 s GLN 2 Cb 0.00 -0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.77 1wr1 s GLN 2 CO 0.00 -0.20 0.21 0.96 -1.32 0.00 0.00 175.29 174.94 1wr1 s ILE 3 N -3.79 0.04 0.09 3.63 -5.25 -0.42 -0.41 121.20 115.09 1wr1 s ILE 3 Ca 0.27 -1.74 0.08 0.00 -0.99 0.00 0.00 60.65 58.27 1wr1 s ILE 3 Cb 0.07 -2.20 -0.03 0.00 2.95 0.00 0.00 42.46 43.24 1wr1 s ILE 3 CO 0.06 -0.17 -0.20 -0.36 -1.79 0.00 0.00 174.94 172.48 1wr1 s PHE 4 N -4.07 1.72 -0.05 1.37 0.40 0.20 -0.52 117.98 117.02 1wr1 s PHE 4 Ca 0.28 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1wr1 s PHE 4 Cb 0.05 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1wr1 s PHE 4 CO 0.07 0.18 0.02 0.08 0.70 0.00 0.00 175.22 176.26 1wr1 s VAL 5 N -1.13 0.21 -0.22 -0.44 1.01 -0.26 -1.17 120.40 118.39 1wr1 s VAL 5 Ca 0.05 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1wr1 s VAL 5 Cb -0.10 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1wr1 s VAL 5 CO 0.04 0.21 -0.08 -0.75 0.00 0.00 0.00 175.10 174.52 1wr1 s LYS 6 N 1.79 3.14 0.91 2.72 2.36 0.21 -0.25 119.74 130.62 1wr1 s LYS 6 Ca 0.01 -0.77 -0.11 0.00 -2.55 0.00 0.00 55.97 52.56 1wr1 s LYS 6 Cb -0.13 -2.92 0.14 0.00 -1.05 0.00 0.00 37.83 33.88 1wr1 s LYS 6 CO -0.04 -0.26 1.11 0.95 1.55 0.00 0.00 175.35 178.66 1wr1 s THR 7 N 1.40 2.49 0.37 3.43 -4.23 -0.04 -1.56 115.64 117.50 1wr1 s THR 7 Ca 0.04 0.16 0.07 0.00 -1.18 0.00 0.00 61.69 60.78 1wr1 s THR 7 Cb -0.15 -2.39 0.18 0.00 1.34 0.00 0.00 72.50 71.48 1wr1 s THR 7 CO -0.06 -0.21 1.93 -0.07 -0.54 0.00 0.00 174.62 175.67 1wr1 h LEU 8 N -1.73 0.37 -0.21 4.79 3.38 -1.91 -3.12 115.31 116.89 1wr1 h LEU 8 Ca -0.47 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1wr1 h LEU 8 Cb 1.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1wr1 h LEU 8 CO 0.48 0.44 -0.02 0.74 0.09 0.00 0.00 178.44 180.16 1wr1 h THR 9 N 0.39 1.27 0.00 0.22 2.02 -1.92 -3.48 112.91 111.41 1wr1 h THR 9 Ca 0.09 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1wr1 h THR 9 Cb 0.27 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1wr1 h THR 9 CO 0.01 0.29 0.00 0.61 0.37 0.00 0.00 175.52 176.80 1wr1 n GLY 10 N -0.23 -0.97 3.73 2.16 0.00 -1.18 -5.15 105.19 103.56 1wr1 n GLY 10 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1wr1 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 11 N 0.00 4.69 -0.33 1.61 2.47 -1.26 -4.82 119.74 122.10 1wr1 s LYS 11 Ca 0.00 1.50 -0.11 0.00 -1.56 0.00 0.00 55.97 55.80 1wr1 s LYS 11 Cb 0.00 -3.36 -0.01 0.00 -1.46 0.00 0.00 37.83 33.00 1wr1 s LYS 11 CO 0.00 0.20 0.19 0.99 0.16 0.00 0.00 175.35 176.89 1wr1 s THR 12 N -0.07 4.91 0.41 3.43 2.01 -1.26 -0.86 115.64 124.21 1wr1 s THR 12 Ca 0.47 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1wr1 s THR 12 Cb -0.24 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1wr1 s THR 12 CO 0.31 0.03 0.68 -0.63 -0.69 0.00 0.00 174.62 174.31 1wr1 s ILE 13 N 1.66 4.98 -0.03 1.82 -1.09 0.65 -4.94 121.20 124.25 1wr1 s ILE 13 Ca 0.05 0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 1wr1 s ILE 13 Cb -0.17 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 1wr1 s ILE 13 CO 0.08 -0.66 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.17 1wr1 s THR 14 N -2.49 0.64 0.11 2.92 2.01 -1.26 -1.10 115.64 116.47 1wr1 s THR 14 Ca 0.45 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 62.24 1wr1 s THR 14 Cb -0.10 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1wr1 s THR 14 CO 0.39 0.22 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.66 1wr1 s LEU 15 N 0.39 2.41 -0.38 4.42 1.43 0.32 -4.99 118.68 122.27 1wr1 s LEU 15 Ca -0.06 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1wr1 s LEU 15 Cb -0.10 -0.44 0.07 0.00 0.03 0.00 0.00 46.19 45.75 1wr1 s LEU 15 CO 0.00 -0.20 0.19 -0.70 0.23 0.00 0.00 176.35 175.87 1wr1 s GLU 16 N -2.79 2.51 0.34 1.70 2.12 -1.26 -1.30 118.70 120.02 1wr1 s GLU 16 Ca 0.08 -1.41 0.03 0.00 0.36 0.00 0.00 54.97 54.03 1wr1 s GLU 16 Cb -0.04 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1wr1 s GLU 16 CO 0.02 -0.86 0.13 0.14 -0.54 0.00 0.00 175.26 174.15 1wr1 s VAL 17 N 1.37 0.60 0.30 3.70 -7.23 -1.18 -5.00 120.40 112.95 1wr1 s VAL 17 Ca 0.02 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.27 1wr1 s VAL 17 Cb -0.22 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 1wr1 s VAL 17 CO 0.01 0.00 0.10 -1.61 -0.31 0.00 0.00 175.10 173.29 1wr1 s GLU 18 N -3.80 2.45 0.43 4.82 2.02 -1.26 -4.02 118.70 119.33 1wr1 s GLU 18 Ca 0.32 -1.40 0.29 0.00 0.02 0.00 0.00 54.97 54.19 1wr1 s GLU 18 Cb 0.05 -2.25 1.54 0.00 0.10 0.00 0.00 34.13 33.57 1wr1 s GLU 18 CO 0.16 0.26 1.89 0.66 0.02 0.00 0.00 175.26 178.25 1wr1 h SER 19 N 1.66 0.00 -0.01 -0.19 4.64 -1.97 -2.40 113.55 115.27 1wr1 h SER 19 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1wr1 h SER 19 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1wr1 h SER 19 CO 0.61 0.00 -0.57 -1.54 -0.87 0.00 0.00 176.83 174.47 1wr1 n SER 20 N -2.53 1.85 -4.74 4.97 3.41 -1.26 -1.38 113.62 113.93 1wr1 n SER 20 Ca -0.01 -1.42 -0.33 0.00 -0.26 0.00 0.00 58.87 56.84 1wr1 n SER 20 Cb 0.07 0.57 0.09 0.00 -0.26 0.00 0.00 64.21 64.68 1wr1 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wr1 s ASP 21 N -2.56 4.41 0.50 4.04 1.01 -0.91 -4.87 116.67 118.30 1wr1 s ASP 21 Ca 0.16 2.10 -0.03 0.00 0.71 0.00 0.00 52.55 55.50 1wr1 s ASP 21 Cb 0.18 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 1wr1 s ASP 21 CO 0.62 -2.10 0.77 0.42 0.21 0.00 0.00 175.17 175.09 1wr1 s THR 22 N -2.38 4.13 0.23 -1.27 -4.23 -1.26 -2.42 115.64 108.45 1wr1 s THR 22 Ca 0.68 -0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 1wr1 s THR 22 Cb -0.23 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.25 1wr1 s THR 22 CO 0.48 -0.50 1.91 0.40 -0.54 0.00 0.00 174.62 176.36 1wr1 h ILE 23 N 0.18 1.22 -0.94 2.99 1.08 -0.98 -1.46 117.51 119.60 1wr1 h ILE 23 Ca -0.46 -0.41 0.16 0.00 -0.39 0.00 0.00 64.86 63.75 1wr1 h ILE 23 Cb 1.24 -0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.81 1wr1 h ILE 23 CO 0.60 0.22 0.55 -0.78 -0.69 0.00 0.00 178.15 178.04 1wr1 h ASP 24 N 1.20 0.71 -0.39 1.72 3.58 -1.59 -1.39 116.42 120.26 1wr1 h ASP 24 Ca 0.33 0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.80 1wr1 h ASP 24 Cb -0.13 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1wr1 h ASP 24 CO -0.08 0.30 -0.00 0.78 -2.88 0.00 0.00 179.24 177.36 1wr1 h ASN 25 N 0.75 0.67 0.62 2.28 2.35 -1.65 -2.73 115.58 117.88 1wr1 h ASN 25 Ca 0.52 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 1wr1 h ASN 25 Cb 0.72 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 1wr1 h ASN 25 CO -0.35 0.82 -0.35 0.58 -1.65 0.00 0.00 177.43 176.47 1wr1 h VAL 26 N 0.51 0.28 -0.67 2.81 2.07 -0.29 -2.06 116.25 118.90 1wr1 h VAL 26 Ca 0.11 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1wr1 h VAL 26 Cb 0.47 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1wr1 h VAL 26 CO 0.02 0.00 0.45 0.07 0.02 0.00 0.00 177.57 178.13 1wr1 h LYS 27 N -0.91 0.58 0.00 1.57 2.10 -1.42 0.20 116.57 118.69 1wr1 h LYS 27 Ca -0.08 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 1wr1 h LYS 27 Cb 0.72 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1wr1 h LYS 27 CO 0.10 0.38 -0.08 1.03 -2.00 0.00 0.00 179.45 178.88 1wr1 h SER 28 N 0.60 0.00 0.50 7.07 0.87 -1.15 -3.03 113.55 118.40 1wr1 h SER 28 Ca 0.30 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.60 1wr1 h SER 28 Cb 0.40 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1wr1 h SER 28 CO -0.10 0.08 -1.17 0.11 -0.53 0.00 0.00 176.83 175.22 1wr1 h LYS 29 N 0.00 0.35 -0.26 2.24 1.79 -0.24 -3.23 116.57 117.22 1wr1 h LYS 29 Ca -0.00 -0.51 0.08 0.00 -2.18 0.00 0.00 60.65 58.03 1wr1 h LYS 29 Cb 0.30 0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 1wr1 h LYS 29 CO 0.01 1.21 0.19 0.82 -1.08 0.00 0.00 179.45 180.61 1wr1 h ILE 30 N 0.13 0.81 0.00 1.86 5.03 -1.47 -0.18 117.51 123.68 1wr1 h ILE 30 Ca -0.13 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.61 1wr1 h ILE 30 Cb 1.87 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 36.52 1wr1 h ILE 30 CO 0.20 0.00 0.00 -0.61 -0.68 0.00 0.00 178.15 177.06 1wr1 h GLN 31 N 0.00 0.00 0.00 2.37 4.15 -1.64 0.08 115.11 120.08 1wr1 h GLN 31 Ca 0.12 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 1wr1 h GLN 31 Cb 0.51 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1wr1 h GLN 31 CO -0.00 0.00 -0.86 0.22 -1.93 0.00 0.00 178.83 176.26 1wr1 h ASP 32 N 0.00 0.00 0.01 -0.69 3.58 -1.20 -3.11 116.42 115.01 1wr1 h ASP 32 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 1wr1 h ASP 32 Cb 0.11 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.10 1wr1 h ASP 32 CO 0.00 0.46 -2.43 0.29 -2.88 0.00 0.00 179.24 174.68 1wr1 n LYS 33 N -3.04 0.66 0.00 0.28 4.76 -0.14 -4.77 118.16 115.91 1wr1 n LYS 33 Ca -0.02 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1wr1 n LYS 33 Cb 0.75 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1wr1 n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1wr1 n GLU 34 N -3.11 3.07 -0.40 1.97 -0.58 -0.28 -5.05 120.64 116.25 1wr1 n GLU 34 Ca -0.41 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.33 1wr1 n GLU 34 Cb 1.04 -0.70 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 1wr1 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wr1 n GLY 35 N 1.15 0.77 3.68 0.62 0.00 -1.17 -5.00 105.19 105.24 1wr1 n GLY 35 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wr1 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wr1 s ILE 36 N -2.27 3.42 0.07 -0.61 1.01 -1.26 -4.83 121.20 116.73 1wr1 s ILE 36 Ca 0.00 0.78 -0.31 0.00 0.00 0.00 0.00 60.65 61.12 1wr1 s ILE 36 Cb 0.00 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.90 1wr1 s ILE 36 CO 0.00 -0.02 1.46 -2.16 0.00 0.00 0.00 174.94 174.22 1wr1 s PRO 37 N 2.85 4.27 0.00 2.79 0.04 -1.26 -3.88 135.00 139.81 1wr1 s PRO 37 Ca 0.70 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.90 1wr1 s PRO 37 Cb -0.35 -3.43 0.27 0.00 0.04 0.00 0.00 34.50 31.03 1wr1 s PRO 37 CO 0.29 -0.56 0.89 -0.35 0.04 0.00 0.00 177.00 177.32 1wr1 n PRO 38 N 4.78 0.11 0.01 0.56 -0.04 -1.26 -1.91 135.00 137.24 1wr1 n PRO 38 Ca 0.13 0.14 -0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1wr1 n PRO 38 Cb 0.42 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1wr1 n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wr1 n ASP 39 N -1.16 0.64 0.09 3.54 2.03 -1.26 -4.28 116.55 116.15 1wr1 n ASP 39 Ca 0.03 0.28 -0.16 0.00 0.52 0.00 0.00 54.79 55.47 1wr1 n ASP 39 Cb 0.03 0.47 -0.14 0.00 -0.72 0.00 0.00 41.12 40.76 1wr1 n ASP 39 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1wr1 h GLN 40 N 0.00 0.25 -6.83 -0.67 7.50 -1.78 -3.48 115.11 110.10 1wr1 h GLN 40 Ca -0.21 -0.42 -0.47 0.00 0.50 0.00 0.00 58.65 58.05 1wr1 h GLN 40 Cb 1.63 0.16 0.04 0.00 0.05 0.00 0.00 27.48 29.35 1wr1 h GLN 40 CO 0.04 1.17 0.00 1.14 -1.50 0.00 0.00 178.83 179.68 1wr1 s GLN 41 N -2.65 3.14 0.13 1.46 -2.07 -1.19 -1.20 119.66 117.29 1wr1 s GLN 41 Ca -0.05 -0.24 -0.04 0.00 -1.82 0.00 0.00 55.36 53.21 1wr1 s GLN 41 Cb 0.07 -2.46 -0.03 0.00 -1.09 0.00 0.00 33.01 29.50 1wr1 s GLN 41 CO 0.87 -0.34 0.13 1.03 -1.32 0.00 0.00 175.29 175.67 1wr1 s ARG 42 N -4.68 0.98 0.15 9.60 0.52 0.78 -4.94 118.95 121.36 1wr1 s ARG 42 Ca 0.49 -1.31 0.10 0.00 -0.52 0.00 0.00 55.73 54.49 1wr1 s ARG 42 Cb -0.10 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 1wr1 s ARG 42 CO 0.41 -0.30 -0.19 -0.51 0.02 0.00 0.00 175.30 174.72 1wr1 s LEU 43 N -3.00 2.64 -0.06 2.53 2.01 -1.26 -1.22 118.68 120.32 1wr1 s LEU 43 Ca 0.20 -0.67 0.02 0.00 0.01 0.00 0.00 54.13 53.68 1wr1 s LEU 43 Cb 0.06 -1.42 0.02 0.00 0.01 0.00 0.00 46.19 44.85 1wr1 s LEU 43 CO -0.00 0.15 -0.09 -0.63 1.01 0.00 0.00 176.35 176.78 1wr1 s ILE 44 N -1.40 0.92 -0.04 -0.59 -1.09 -0.09 -1.09 121.20 117.81 1wr1 s ILE 44 Ca 0.20 -0.35 -0.05 0.00 -2.23 0.00 0.00 60.65 58.22 1wr1 s ILE 44 Cb -0.09 -0.87 0.01 0.00 -1.58 0.00 0.00 42.46 39.93 1wr1 s ILE 44 CO 0.11 0.31 0.14 0.12 -1.23 0.00 0.00 174.94 174.38 1wr1 s PHE 45 N 0.78 -0.09 -0.94 3.97 5.36 -0.81 -2.38 117.98 123.86 1wr1 s PHE 45 Ca -0.13 0.22 -0.01 0.00 -0.96 0.00 0.00 56.93 56.05 1wr1 s PHE 45 Cb -0.15 0.02 0.01 0.00 -0.34 0.00 0.00 43.02 42.56 1wr1 s PHE 45 CO 0.02 -0.14 0.07 0.00 -1.46 0.00 0.00 175.22 173.71 1wr1 n ALA 46 N 2.55 -0.84 -0.45 11.12 0.00 -1.26 -0.93 120.51 130.70 1wr1 n ALA 46 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1wr1 n ALA 46 Cb 0.58 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1wr1 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wr1 n GLY 47 N -0.81 1.51 3.73 0.00 0.00 -1.26 -5.02 105.19 103.34 1wr1 n GLY 47 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1wr1 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wr1 s LYS 48 N -0.12 4.44 -0.29 1.61 2.47 -0.10 -5.05 119.74 122.70 1wr1 s LYS 48 Ca 0.00 0.92 -0.29 0.00 -1.56 0.00 0.00 55.97 55.04 1wr1 s LYS 48 Cb 0.00 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 1wr1 s LYS 48 CO 0.00 0.18 1.28 -1.14 0.16 0.00 0.00 175.35 175.84 1wr1 s GLN 49 N 0.37 3.95 0.38 4.03 0.74 -1.26 -1.92 119.66 125.95 1wr1 s GLN 49 Ca 0.37 1.27 -0.24 0.00 0.05 0.00 0.00 55.36 56.81 1wr1 s GLN 49 Cb -0.19 -3.86 -0.10 0.00 1.10 0.00 0.00 33.01 29.96 1wr1 s GLN 49 CO 0.20 -1.07 0.96 -0.51 -0.55 0.00 0.00 175.29 174.31 1wr1 s LEU 50 N 4.25 4.14 -0.06 3.68 1.43 -0.25 -5.01 118.68 126.87 1wr1 s LEU 50 Ca 0.55 1.79 -0.09 0.00 -1.03 0.00 0.00 54.13 55.35 1wr1 s LEU 50 Cb -0.17 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1wr1 s LEU 50 CO 0.22 -0.23 0.24 -0.70 0.23 0.00 0.00 176.35 176.10 1wr1 s GLU 51 N -2.59 3.59 0.30 1.70 2.12 -1.26 -4.56 118.70 117.99 1wr1 s GLU 51 Ca 0.56 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.89 1wr1 s GLU 51 Cb -0.15 -3.17 0.47 0.00 0.26 0.00 0.00 34.13 31.55 1wr1 s GLU 51 CO 0.19 0.72 1.95 -0.44 -0.54 0.00 0.00 175.26 177.14 1wr1 h ASP 52 N 4.64 0.94 0.40 -1.70 5.19 -1.97 -2.57 116.42 121.35 1wr1 h ASP 52 Ca -0.53 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1wr1 h ASP 52 Cb 1.22 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1wr1 h ASP 52 CO 0.61 0.65 -0.01 0.61 -3.12 0.00 0.00 179.24 177.98 1wr1 n GLY 53 N -1.40 -1.18 3.86 2.75 0.00 -1.26 -1.71 105.19 106.25 1wr1 n GLY 53 Ca 0.11 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1wr1 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr1 s ARG 54 N -2.41 1.30 0.44 1.61 1.81 -0.97 -4.88 118.95 115.86 1wr1 s ARG 54 Ca 0.34 0.04 0.07 0.00 -1.72 0.00 0.00 55.73 54.46 1wr1 s ARG 54 Cb 0.21 -1.88 -0.03 0.00 -0.45 0.00 0.00 34.95 32.80 1wr1 s ARG 54 CO 0.44 -2.04 0.28 0.95 -0.68 0.00 0.00 175.30 174.25 1wr1 s THR 55 N -3.53 2.29 0.14 0.02 -4.23 -1.26 -0.79 115.64 108.28 1wr1 s THR 55 Ca 0.65 -1.55 -0.18 0.00 -1.18 0.00 0.00 61.69 59.44 1wr1 s THR 55 Cb -0.10 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.88 1wr1 s THR 55 CO 0.51 0.00 1.77 -0.07 -0.54 0.00 0.00 174.62 176.29 1wr1 h LEU 56 N 1.17 0.21 -2.00 4.79 -0.00 -1.52 -2.89 115.31 115.07 1wr1 h LEU 56 Ca -0.41 0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.53 1wr1 h LEU 56 Cb 1.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.90 1wr1 h LEU 56 CO 0.64 0.16 0.13 -1.28 -0.00 0.00 0.00 178.44 178.08 1wr1 h SER 57 N 0.30 0.00 -0.64 -0.43 0.87 -1.48 -1.90 113.55 110.27 1wr1 h SER 57 Ca 0.13 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1wr1 h SER 57 Cb 0.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1wr1 h SER 57 CO -0.09 0.00 0.43 -0.78 -0.53 0.00 0.00 176.83 175.85 1wr1 h ASP 58 N 0.00 0.59 -0.59 6.23 3.58 -1.79 -1.22 116.42 123.22 1wr1 h ASP 58 Ca 0.08 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1wr1 h ASP 58 Cb 0.34 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1wr1 h ASP 58 CO -0.00 0.39 0.00 -1.22 -2.88 0.00 0.00 179.24 175.53 1wr1 n TYR 59 N -4.47 1.19 -2.69 0.28 4.01 -0.98 -4.96 117.16 109.54 1wr1 n TYR 59 Ca 0.09 -0.60 -0.19 0.00 -0.16 0.00 0.00 57.90 57.04 1wr1 n TYR 59 Cb 0.20 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1wr1 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1wr1 n ASN 60 N 0.98 -5.03 -4.69 7.72 2.85 -0.46 -4.96 115.26 111.67 1wr1 n ASN 60 Ca 0.23 -0.06 -0.43 0.00 -0.11 0.00 0.00 54.58 54.21 1wr1 n ASN 60 Cb 0.77 -4.17 -0.01 0.00 1.24 0.00 0.00 39.78 37.61 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1wr1 n ILE 61 N -3.92 1.69 -4.26 -1.44 2.08 -0.75 -4.98 119.36 107.78 1wr1 n ILE 61 Ca -0.15 -0.42 -0.28 0.00 0.56 0.00 0.00 62.75 62.45 1wr1 n ILE 61 Cb 0.63 -1.56 -0.05 0.00 -0.75 0.00 0.00 39.64 37.91 1wr1 n ILE 61 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1wr1 s GLN 62 N -1.44 2.22 0.52 0.38 -1.52 -1.26 -4.61 119.66 113.95 1wr1 s GLN 62 Ca 0.59 -2.12 -0.22 0.00 -1.95 0.00 0.00 55.36 51.66 1wr1 s GLN 62 Cb -0.59 -1.87 -0.06 0.00 -0.22 0.00 0.00 33.01 30.28 1wr1 s GLN 62 CO 0.58 -0.41 1.31 -1.59 -0.25 0.00 0.00 175.29 174.93 1wr1 s LYS 63 N -4.05 3.34 -1.61 2.91 0.00 -1.26 -3.06 119.74 116.01 1wr1 s LYS 63 Ca 0.25 2.13 0.00 0.00 0.00 0.00 0.00 55.97 58.35 1wr1 s LYS 63 Cb 0.01 -2.33 0.00 0.00 0.00 0.00 0.00 37.83 35.51 1wr1 s LYS 63 CO 0.15 -1.00 0.00 0.39 0.00 0.00 0.00 175.35 174.89 1wr1 n GLU 64 N -0.83 -1.46 -1.75 1.78 1.02 0.45 -4.97 120.64 114.88 1wr1 n GLU 64 Ca 0.09 0.95 -0.39 0.00 -0.02 0.00 0.00 57.16 57.79 1wr1 n GLU 64 Cb 0.46 -5.25 0.03 0.00 -0.02 0.00 0.00 31.44 26.66 1wr1 n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wr1 n SER 65 N -0.90 2.98 -4.08 1.62 7.64 -1.17 -4.69 113.62 115.02 1wr1 n SER 65 Ca -0.15 1.03 -0.36 0.00 1.01 0.00 0.00 58.87 60.41 1wr1 n SER 65 Cb 0.55 -1.59 -0.08 0.00 -1.01 0.00 0.00 64.21 62.07 1wr1 n SER 65 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1wr1 s THR 66 N -1.25 3.91 0.64 0.44 -4.23 -1.26 -0.63 115.64 113.26 1wr1 s THR 66 Ca 0.68 -3.47 0.01 0.00 -1.18 0.00 0.00 61.69 57.72 1wr1 s THR 66 Cb -0.43 -3.49 0.08 0.00 1.34 0.00 0.00 72.50 70.00 1wr1 s THR 66 CO 0.52 -0.98 0.88 -0.76 -0.54 0.00 0.00 174.62 173.75 1wr1 s LEU 67 N -0.74 3.11 0.15 4.79 2.01 -0.32 -4.96 118.68 122.72 1wr1 s LEU 67 Ca 0.22 -0.22 0.09 0.00 0.01 0.00 0.00 54.13 54.23 1wr1 s LEU 67 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 46.19 43.65 1wr1 s LEU 67 CO -0.08 -1.50 -0.19 -1.00 1.01 0.00 0.00 176.35 174.58 1wr1 s HIS 68 N -2.95 1.85 0.14 0.29 3.76 -1.00 -0.62 115.29 116.76 1wr1 s HIS 68 Ca 0.62 -0.45 0.10 0.00 -0.15 0.00 0.00 55.06 55.18 1wr1 s HIS 68 Cb -0.08 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.63 1wr1 s HIS 68 CO 0.41 0.31 -0.24 -0.48 -0.85 0.00 0.00 174.74 173.90 1wr1 s LEU 69 N -2.48 2.45 -0.01 0.89 2.34 -0.60 -0.92 118.68 120.34 1wr1 s LEU 69 Ca 0.14 -0.71 0.04 0.00 0.06 0.00 0.00 54.13 53.66 1wr1 s LEU 69 Cb -0.07 -1.31 -0.01 0.00 -0.56 0.00 0.00 46.19 44.24 1wr1 s LEU 69 CO 0.06 0.17 -0.14 -0.69 -1.06 0.00 0.00 176.35 174.69 1wr1 s VAL 70 N -1.18 1.11 -0.07 1.48 1.01 -0.36 -3.32 120.40 119.08 1wr1 s VAL 70 Ca 0.16 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1wr1 s VAL 70 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1wr1 s VAL 70 CO 0.08 0.32 -0.15 -0.76 0.00 0.00 0.00 175.10 174.58 1wr1 s LEU 71 N -0.25 2.66 0.61 3.92 1.02 -1.26 -0.15 118.68 125.22 1wr1 s LEU 71 Ca 0.04 -0.26 0.38 0.00 0.02 0.00 0.00 54.13 54.31 1wr1 s LEU 71 Cb -0.06 -1.55 2.06 0.00 0.02 0.00 0.00 46.19 46.66 1wr1 s LEU 71 CO -0.00 0.30 2.16 0.08 0.02 0.00 0.00 176.35 178.90 1wr1 h ARG 72 N 5.70 0.00 0.00 1.70 0.11 -1.53 -1.08 114.38 119.28 1wr1 h ARG 72 Ca -0.41 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.63 1wr1 h ARG 72 Cb 1.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 1wr1 h ARG 72 CO 0.51 0.00 -0.19 -0.07 0.10 0.00 0.00 179.97 180.32 1wr1 h LEU 73 N 0.00 0.00 0.90 0.08 4.07 -1.96 -3.47 115.31 114.93 1wr1 h LEU 73 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1wr1 h LEU 73 Cb 0.15 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.78 1wr1 h LEU 73 CO 0.00 0.19 -0.23 0.54 -1.08 0.00 0.00 178.44 177.86 1wr1 n ARG 74 N -4.04 -1.38 0.00 1.13 1.74 -0.41 -1.73 116.66 111.97 1wr1 n ARG 74 Ca -0.02 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.84 1wr1 n ARG 74 Cb 0.27 -4.99 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1wr1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wr1 n GLY 75 N -0.17 1.52 0.00 -0.13 0.00 -1.26 -5.10 105.19 100.06 1wr1 n GLY 75 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93