#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 1.04 0.17 2.12 -2.07 -1.26 -3.01 119.66 116.65 1wr1 s GLN 2 Ca 0.00 -1.51 -0.06 0.00 -1.82 0.00 0.00 55.36 51.98 1wr1 s GLN 2 Cb 0.00 0.02 -0.02 0.00 -1.09 0.00 0.00 33.01 31.92 1wr1 s GLN 2 CO 0.00 -0.22 0.21 0.96 -1.32 0.00 0.00 175.29 174.92 1wr1 s ILE 3 N -3.89 0.06 0.07 3.63 -5.25 -0.41 -0.43 121.20 114.99 1wr1 s ILE 3 Ca 0.26 -1.65 0.07 0.00 -0.99 0.00 0.00 60.65 58.34 1wr1 s ILE 3 Cb 0.07 -2.04 -0.03 0.00 2.95 0.00 0.00 42.46 43.41 1wr1 s ILE 3 CO 0.04 -0.28 -0.19 -0.36 -1.79 0.00 0.00 174.94 172.37 1wr1 s PHE 4 N -4.03 1.63 -0.04 1.37 0.40 0.41 -0.57 117.98 117.15 1wr1 s PHE 4 Ca 0.23 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1wr1 s PHE 4 Cb 0.05 -0.92 0.03 0.00 0.51 0.00 0.00 43.02 42.69 1wr1 s PHE 4 CO 0.03 0.13 0.03 0.08 0.70 0.00 0.00 175.22 176.20 1wr1 s VAL 5 N -1.05 0.03 -0.26 -0.44 1.01 -0.10 -1.12 120.40 118.47 1wr1 s VAL 5 Ca 0.05 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.27 1wr1 s VAL 5 Cb -0.09 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.08 1wr1 s VAL 5 CO 0.03 0.17 -0.01 -0.75 0.00 0.00 0.00 175.10 174.54 1wr1 s LYS 6 N 1.74 2.92 0.70 2.72 2.36 0.16 -0.29 119.74 130.05 1wr1 s LYS 6 Ca -0.00 -0.94 -0.11 0.00 -2.55 0.00 0.00 55.97 52.37 1wr1 s LYS 6 Cb -0.12 -3.11 0.01 0.00 -1.05 0.00 0.00 37.83 33.56 1wr1 s LYS 6 CO -0.03 -0.41 1.07 -0.08 1.55 0.00 0.00 175.35 177.45 1wr1 s THR 7 N 1.38 3.84 0.44 3.43 -1.32 -0.49 -1.65 115.64 121.27 1wr1 s THR 7 Ca 0.01 0.60 0.11 0.00 -1.21 0.00 0.00 61.69 61.20 1wr1 s THR 7 Cb -0.17 -3.47 0.29 0.00 -1.51 0.00 0.00 72.50 67.64 1wr1 s THR 7 CO -0.02 -0.78 2.06 -0.07 -2.21 0.00 0.00 174.62 173.59 1wr1 h LEU 8 N -0.69 0.33 -0.92 9.08 3.38 -1.91 -2.33 115.31 122.25 1wr1 h LEU 8 Ca -0.45 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1wr1 h LEU 8 Cb 1.23 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1wr1 h LEU 8 CO 0.61 0.22 0.02 0.74 0.09 0.00 0.00 178.44 180.12 1wr1 h THR 9 N 0.38 1.24 0.00 0.22 2.02 -1.93 -3.47 112.91 111.36 1wr1 h THR 9 Ca 0.16 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1wr1 h THR 9 Cb 0.15 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1wr1 h THR 9 CO -0.04 0.35 0.00 0.61 0.37 0.00 0.00 175.52 176.81 1wr1 n GLY 10 N -0.66 0.27 3.74 2.16 0.00 -0.88 -5.14 105.19 104.68 1wr1 n GLY 10 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 4.49 -0.35 1.61 2.47 -1.26 -4.88 119.74 121.82 1wr1 s LYS 11 Ca 0.00 1.05 -0.12 0.00 -1.56 0.00 0.00 55.97 55.33 1wr1 s LYS 11 Cb 0.00 -3.38 -0.00 0.00 -1.46 0.00 0.00 37.83 32.98 1wr1 s LYS 11 CO 0.00 0.23 0.23 0.99 0.16 0.00 0.00 175.35 176.96 1wr1 s THR 12 N 0.13 5.07 0.46 3.43 2.01 -1.26 -1.39 115.64 124.09 1wr1 s THR 12 Ca 0.39 -0.39 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1wr1 s THR 12 Cb -0.20 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.59 1wr1 s THR 12 CO 0.22 -0.07 0.82 -0.63 -0.69 0.00 0.00 174.62 174.28 1wr1 s ILE 13 N 1.68 4.78 -0.03 1.82 -1.09 0.60 -4.93 121.20 124.03 1wr1 s ILE 13 Ca 0.05 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.09 1wr1 s ILE 13 Cb -0.18 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1wr1 s ILE 13 CO 0.09 -0.68 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.17 1wr1 s THR 14 N -2.56 0.65 0.09 2.92 2.01 -1.26 -0.92 115.64 116.56 1wr1 s THR 14 Ca 0.51 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.31 1wr1 s THR 14 Cb -0.10 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1wr1 s THR 14 CO 0.37 0.23 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.66 1wr1 s LEU 15 N 0.53 2.38 -0.47 4.42 1.43 0.27 -5.00 118.68 122.24 1wr1 s LEU 15 Ca -0.08 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 1wr1 s LEU 15 Cb -0.11 -0.33 0.12 0.00 0.03 0.00 0.00 46.19 45.90 1wr1 s LEU 15 CO 0.01 -0.23 0.31 -0.70 0.23 0.00 0.00 176.35 175.97 1wr1 s GLU 16 N -2.58 2.32 0.44 1.70 2.12 -1.26 -1.29 118.70 120.15 1wr1 s GLU 16 Ca 0.04 -1.89 0.03 0.00 0.36 0.00 0.00 54.97 53.51 1wr1 s GLU 16 Cb -0.04 -3.78 -0.02 0.00 0.26 0.00 0.00 34.13 30.54 1wr1 s GLU 16 CO 0.00 -1.15 0.07 0.14 -0.54 0.00 0.00 175.26 173.79 1wr1 s VAL 17 N 1.09 0.91 0.35 3.70 -7.23 -1.16 -4.99 120.40 113.07 1wr1 s VAL 17 Ca 0.08 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.34 1wr1 s VAL 17 Cb -0.24 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1wr1 s VAL 17 CO -0.03 0.00 0.08 -1.61 -0.31 0.00 0.00 175.10 173.24 1wr1 s GLU 18 N -3.78 2.20 0.67 4.82 2.02 -1.26 -3.92 118.70 119.44 1wr1 s GLU 18 Ca 0.18 -1.71 0.41 0.00 0.02 0.00 0.00 54.97 53.88 1wr1 s GLU 18 Cb 0.03 -2.01 2.24 0.00 0.10 0.00 0.00 34.13 34.49 1wr1 s GLU 18 CO 0.10 0.08 2.27 0.77 0.02 0.00 0.00 175.26 178.51 1wr1 h SER 19 N 1.66 0.00 -0.01 -0.19 0.02 -1.97 -2.58 113.55 110.47 1wr1 h SER 19 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1wr1 h SER 19 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wr1 h SER 19 CO 0.66 0.00 -0.38 -1.20 -1.14 0.00 0.00 176.83 174.78 1wr1 n SER 20 N -3.07 1.84 -4.74 3.07 7.64 -1.26 -1.22 113.62 115.87 1wr1 n SER 20 Ca -0.03 -1.42 -0.35 0.00 1.01 0.00 0.00 58.87 58.09 1wr1 n SER 20 Cb 0.14 0.45 0.06 0.00 -1.01 0.00 0.00 64.21 63.86 1wr1 n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wr1 s ASP 21 N -2.12 4.77 0.50 6.43 1.01 -0.97 -4.87 116.67 121.42 1wr1 s ASP 21 Ca 0.16 2.32 -0.06 0.00 0.71 0.00 0.00 52.55 55.68 1wr1 s ASP 21 Cb 0.15 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 1wr1 s ASP 21 CO 0.47 -1.87 0.82 0.42 0.21 0.00 0.00 175.17 175.21 1wr1 s THR 22 N -1.85 4.81 0.24 -1.27 -4.23 -1.26 -2.62 115.64 109.46 1wr1 s THR 22 Ca 0.75 0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 61.46 1wr1 s THR 22 Cb -0.29 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 69.93 1wr1 s THR 22 CO 0.39 -0.86 1.85 0.40 -0.54 0.00 0.00 174.62 175.86 1wr1 h ILE 23 N 0.14 1.05 -0.63 2.99 1.08 -1.05 -0.99 117.51 120.10 1wr1 h ILE 23 Ca -0.47 -0.34 0.10 0.00 -0.39 0.00 0.00 64.86 63.77 1wr1 h ILE 23 Cb 1.21 -0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.87 1wr1 h ILE 23 CO 0.62 0.18 0.23 -0.78 -0.69 0.00 0.00 178.15 177.70 1wr1 h ASP 24 N 0.98 0.21 -0.15 1.72 3.58 -1.73 -2.15 116.42 118.88 1wr1 h ASP 24 Ca 0.37 0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1wr1 h ASP 24 Cb 0.15 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1wr1 h ASP 24 CO -0.17 0.12 0.06 0.78 -2.88 0.00 0.00 179.24 177.16 1wr1 h ASN 25 N 0.40 0.20 -0.13 2.28 2.35 -1.62 -2.63 115.58 116.43 1wr1 h ASN 25 Ca 0.32 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1wr1 h ASN 25 Cb 0.42 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 1wr1 h ASN 25 CO -0.33 0.29 -0.18 0.58 -1.65 0.00 0.00 177.43 176.14 1wr1 h VAL 26 N 0.10 0.54 -0.63 2.81 2.07 -0.85 -1.62 116.25 118.67 1wr1 h VAL 26 Ca 0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1wr1 h VAL 26 Cb 0.15 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 1wr1 h VAL 26 CO -0.01 0.00 0.11 0.11 0.02 0.00 0.00 177.57 177.80 1wr1 h LYS 27 N -0.22 0.22 0.00 1.57 1.57 -1.39 -0.06 116.57 118.27 1wr1 h LYS 27 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1wr1 h LYS 27 Cb 0.36 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1wr1 h LYS 27 CO -0.26 0.15 0.00 0.43 -0.57 0.00 0.00 179.45 179.20 1wr1 n SER 28 N -5.16 0.57 0.01 0.86 7.64 -0.74 -2.41 113.62 114.39 1wr1 n SER 28 Ca 0.10 0.70 -0.13 0.00 1.01 0.00 0.00 58.87 60.54 1wr1 n SER 28 Cb 0.35 -0.80 -0.14 0.00 -1.01 0.00 0.00 64.21 62.62 1wr1 n SER 28 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1wr1 h LYS 29 N 0.00 0.12 -0.83 1.43 1.79 -0.10 -3.31 116.57 115.67 1wr1 h LYS 29 Ca 0.00 -0.20 0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1wr1 h LYS 29 Cb 0.19 0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.85 1wr1 h LYS 29 CO 0.00 0.84 0.54 0.82 -1.08 0.00 0.00 179.45 180.57 1wr1 h ILE 30 N 0.03 0.94 0.00 1.86 5.03 -1.31 -1.35 117.51 122.71 1wr1 h ILE 30 Ca -0.27 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.20 1wr1 h ILE 30 Cb 1.99 0.11 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 1wr1 h ILE 30 CO 0.11 0.14 0.00 -0.61 -0.68 0.00 0.00 178.15 177.11 1wr1 h GLN 31 N 0.76 0.00 0.00 2.37 4.15 -1.64 -0.30 115.11 120.46 1wr1 h GLN 31 Ca 0.39 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.78 1wr1 h GLN 31 Cb 0.47 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1wr1 h GLN 31 CO -0.16 0.00 -0.14 0.22 -1.93 0.00 0.00 178.83 176.82 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.39 -3.14 116.42 114.78 1wr1 h ASP 32 Ca 0.00 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 1wr1 h ASP 32 Cb 0.10 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.08 1wr1 h ASP 32 CO 0.00 0.14 -2.46 0.29 -2.88 0.00 0.00 179.24 174.34 1wr1 n LYS 33 N -3.14 0.58 0.00 0.28 4.76 -0.19 -4.83 118.16 115.62 1wr1 n LYS 33 Ca 0.03 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 1wr1 n LYS 33 Cb 0.58 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 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 -3.87 3.24 -0.10 1.97 -0.58 -0.77 -5.07 120.64 115.47 1wr1 n GLU 34 Ca -0.49 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 1wr1 n GLU 34 Cb 0.90 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 31.22 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 0.89 0.80 3.66 0.62 0.00 -1.19 -5.01 105.19 104.97 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 -2.07 3.36 0.00 -0.61 1.01 -1.26 -4.81 121.20 116.82 1wr1 s ILE 36 Ca 0.00 0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 1wr1 s ILE 36 Cb 0.00 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.11 1wr1 s ILE 36 CO 0.00 -0.04 1.52 -2.16 0.00 0.00 0.00 174.94 174.26 1wr1 s PRO 37 N 4.08 4.23 0.00 2.79 0.04 -1.26 -4.02 135.00 140.86 1wr1 s PRO 37 Ca 0.78 2.11 0.06 0.00 0.04 0.00 0.00 61.00 63.99 1wr1 s PRO 37 Cb -0.37 -3.67 0.29 0.00 0.04 0.00 0.00 34.50 30.79 1wr1 s PRO 37 CO 0.34 -0.68 1.03 -0.35 0.04 0.00 0.00 177.00 177.37 1wr1 n PRO 38 N 5.86 0.08 0.04 0.56 -0.04 -1.26 -1.57 135.00 138.67 1wr1 n PRO 38 Ca 0.15 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.83 1wr1 n PRO 38 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1wr1 n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wr1 h ASP 39 N 0.00 0.00 0.48 3.54 3.32 -1.97 -3.38 116.42 118.40 1wr1 h ASP 39 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1wr1 h ASP 39 Cb 0.05 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1wr1 h ASP 39 CO 0.00 0.64 -1.64 1.56 -1.72 0.00 0.00 179.24 178.08 1wr1 h GLN 40 N 0.00 0.10 -6.83 3.56 7.50 -1.68 -3.48 115.11 114.28 1wr1 h GLN 40 Ca -0.15 -0.16 -0.49 0.00 0.50 0.00 0.00 58.65 58.34 1wr1 h GLN 40 Cb 1.62 0.06 -0.00 0.00 0.05 0.00 0.00 27.48 29.21 1wr1 h GLN 40 CO 0.06 0.80 0.12 1.14 -1.50 0.00 0.00 178.83 179.44 1wr1 s GLN 41 N -2.61 3.82 0.22 1.46 -2.07 -1.16 -1.48 119.66 117.83 1wr1 s GLN 41 Ca -0.08 0.51 0.05 0.00 -1.82 0.00 0.00 55.36 54.02 1wr1 s GLN 41 Cb 0.08 -2.39 -0.05 0.00 -1.09 0.00 0.00 33.01 29.55 1wr1 s GLN 41 CO 0.82 -0.01 -0.05 1.03 -1.32 0.00 0.00 175.29 175.76 1wr1 s ARG 42 N -3.71 1.31 0.05 9.60 3.00 0.38 -4.93 118.95 124.65 1wr1 s ARG 42 Ca 0.52 -1.63 0.06 0.00 0.00 0.00 0.00 55.73 54.68 1wr1 s ARG 42 Cb -0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 34.95 34.04 1wr1 s ARG 42 CO 0.29 0.00 -0.12 -0.51 0.00 0.00 0.00 175.30 174.96 1wr1 s LEU 43 N -3.30 2.91 -0.11 2.53 1.43 -1.26 -1.02 118.68 119.86 1wr1 s LEU 43 Ca 0.25 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1wr1 s LEU 43 Cb 0.04 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1wr1 s LEU 43 CO 0.07 0.24 -0.09 -0.63 0.23 0.00 0.00 176.35 176.17 1wr1 s ILE 44 N -1.03 1.11 -0.01 -0.59 -1.09 -0.31 -0.86 121.20 118.41 1wr1 s ILE 44 Ca 0.17 -0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1wr1 s ILE 44 Cb -0.11 -1.09 0.00 0.00 -1.58 0.00 0.00 42.46 39.68 1wr1 s ILE 44 CO 0.08 0.37 0.09 0.12 -1.23 0.00 0.00 174.94 174.38 1wr1 s PHE 45 N 1.43 0.02 -0.71 3.97 5.36 -0.95 -2.80 117.98 124.30 1wr1 s PHE 45 Ca 0.00 -0.04 -0.01 0.00 -0.96 0.00 0.00 56.93 55.92 1wr1 s PHE 45 Cb -0.13 -0.04 0.01 0.00 -0.34 0.00 0.00 43.02 42.51 1wr1 s PHE 45 CO -0.06 -0.18 0.05 0.00 -1.46 0.00 0.00 175.22 173.58 1wr1 n ALA 46 N 2.09 -0.89 -0.66 11.12 0.00 -1.26 -1.05 120.51 129.86 1wr1 n ALA 46 Ca -0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wr1 n ALA 46 Cb 0.57 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.73 1.13 3.75 0.00 0.00 -1.26 -5.02 105.19 103.06 1wr1 n GLY 47 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.18 4.31 -0.45 1.61 2.47 -0.21 -5.04 119.74 122.24 1wr1 s LYS 48 Ca 0.00 0.66 -0.28 0.00 -1.56 0.00 0.00 55.97 54.78 1wr1 s LYS 48 Cb 0.00 -3.37 0.01 0.00 -1.46 0.00 0.00 37.83 33.01 1wr1 s LYS 48 CO 0.00 0.31 1.48 -1.14 0.16 0.00 0.00 175.35 176.16 1wr1 s GLN 49 N 0.04 3.43 0.13 4.03 0.74 -1.26 -2.23 119.66 124.54 1wr1 s GLN 49 Ca 0.30 0.85 -0.31 0.00 0.05 0.00 0.00 55.36 56.25 1wr1 s GLN 49 Cb -0.17 -4.09 -0.08 0.00 1.10 0.00 0.00 33.01 29.77 1wr1 s GLN 49 CO 0.15 -1.76 1.35 -0.51 -0.55 0.00 0.00 175.29 173.97 1wr1 s LEU 50 N 5.95 4.38 0.19 3.68 1.43 -0.04 -5.00 118.68 129.28 1wr1 s LEU 50 Ca 0.62 2.32 -0.25 0.00 -1.03 0.00 0.00 54.13 55.79 1wr1 s LEU 50 Cb -0.14 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1wr1 s LEU 50 CO 0.30 -0.60 0.79 -0.70 0.23 0.00 0.00 176.35 176.38 1wr1 s GLU 51 N 0.73 4.53 0.29 1.70 2.12 -1.26 -4.55 118.70 122.24 1wr1 s GLU 51 Ca 0.62 1.14 -0.01 0.00 0.36 0.00 0.00 54.97 57.07 1wr1 s GLU 51 Cb -0.36 -3.15 0.47 0.00 0.26 0.00 0.00 34.13 31.35 1wr1 s GLU 51 CO 0.32 0.51 1.90 -0.44 -0.54 0.00 0.00 175.26 177.02 1wr1 h ASP 52 N 4.04 0.97 0.37 -1.70 3.32 -1.94 -2.27 116.42 119.22 1wr1 h ASP 52 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1wr1 h ASP 52 Cb 1.20 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1wr1 h ASP 52 CO 0.66 0.62 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 1wr1 n GLY 53 N -1.38 -1.19 3.86 2.75 0.00 -1.26 -2.33 105.19 105.64 1wr1 n GLY 53 Ca 0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.37 2.04 0.45 1.61 1.81 -0.85 -4.89 118.95 116.74 1wr1 s ARG 54 Ca 0.35 0.29 0.07 0.00 -1.72 0.00 0.00 55.73 54.72 1wr1 s ARG 54 Cb 0.21 -1.94 -0.02 0.00 -0.45 0.00 0.00 34.95 32.75 1wr1 s ARG 54 CO 0.43 -1.58 0.32 0.95 -0.68 0.00 0.00 175.30 174.74 1wr1 s THR 55 N -3.43 2.26 0.17 0.02 -4.23 -1.26 -0.89 115.64 108.28 1wr1 s THR 55 Ca 0.61 -1.50 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 1wr1 s THR 55 Cb -0.12 -2.76 0.05 0.00 1.34 0.00 0.00 72.50 71.00 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 1.09 0.27 -1.64 4.79 -0.00 -1.49 -2.79 115.31 115.54 1wr1 h LEU 56 Ca -0.41 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.58 1wr1 h LEU 56 Cb 1.27 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.88 1wr1 h LEU 56 CO 0.62 0.20 0.36 -1.28 -0.00 0.00 0.00 178.44 178.34 1wr1 h SER 57 N 0.40 0.38 0.07 -0.43 0.87 -1.42 -1.81 113.55 111.62 1wr1 h SER 57 Ca 0.19 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1wr1 h SER 57 Cb 0.12 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1wr1 h SER 57 CO -0.15 0.24 -0.03 -0.78 -0.53 0.00 0.00 176.83 175.59 1wr1 h ASP 58 N 0.43 0.00 -0.39 6.23 3.58 -1.77 -0.96 116.42 123.54 1wr1 h ASP 58 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1wr1 h ASP 58 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1wr1 h ASP 58 CO -0.06 0.03 0.00 -1.22 -2.88 0.00 0.00 179.24 175.10 1wr1 n TYR 59 N -3.93 0.84 -2.08 0.28 4.01 -0.92 -4.98 117.16 110.40 1wr1 n TYR 59 Ca -0.03 -0.64 -0.18 0.00 -0.16 0.00 0.00 57.90 56.89 1wr1 n TYR 59 Cb 0.11 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 38.95 1wr1 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1wr1 n ASN 60 N 0.35 -5.02 -4.66 7.72 4.13 -0.37 -4.94 115.26 112.48 1wr1 n ASN 60 Ca 0.18 0.20 -0.47 0.00 1.68 0.00 0.00 54.58 56.17 1wr1 n ASN 60 Cb 0.68 -4.31 -0.05 0.00 -1.54 0.00 0.00 39.78 34.56 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1wr1 n ILE 61 N -3.19 0.04 -3.16 2.41 2.08 -0.73 -4.97 119.36 111.85 1wr1 n ILE 61 Ca -0.20 -0.01 -0.18 0.00 0.56 0.00 0.00 62.75 62.92 1wr1 n ILE 61 Cb 0.63 -1.43 0.01 0.00 -0.75 0.00 0.00 39.64 38.10 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 1.07 2.67 0.63 0.38 -1.52 -1.26 -4.60 119.66 117.03 1wr1 s GLN 62 Ca 0.81 -1.38 -0.18 0.00 -1.95 0.00 0.00 55.36 52.65 1wr1 s GLN 62 Cb -0.73 -2.64 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 1wr1 s GLN 62 CO 0.41 -0.35 1.28 -1.59 -0.25 0.00 0.00 175.29 174.79 1wr1 s LYS 63 N -4.34 2.64 -1.54 2.91 0.00 -1.26 -2.98 119.74 115.16 1wr1 s LYS 63 Ca 0.54 2.04 0.00 0.00 0.00 0.00 0.00 55.97 58.54 1wr1 s LYS 63 Cb -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 37.83 35.88 1wr1 s LYS 63 CO 0.32 -1.52 0.00 0.39 0.00 0.00 0.00 175.35 174.54 1wr1 n GLU 64 N -1.82 -1.54 -1.78 1.78 1.02 0.43 -4.97 120.64 113.76 1wr1 n GLU 64 Ca 0.15 0.86 -0.37 0.00 -0.02 0.00 0.00 57.16 57.78 1wr1 n GLU 64 Cb 0.48 -5.24 0.06 0.00 -0.02 0.00 0.00 31.44 26.72 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wr1 s SER 65 N -2.22 4.78 -0.72 1.62 0.01 -1.16 -4.73 113.70 111.27 1wr1 s SER 65 Ca 0.00 2.63 0.03 0.00 1.31 0.00 0.00 55.95 59.92 1wr1 s SER 65 Cb 0.00 -2.62 0.17 0.00 0.21 0.00 0.00 66.02 63.79 1wr1 s SER 65 CO 0.00 -1.89 0.52 0.42 0.41 0.00 0.00 173.24 172.71 1wr1 s THR 66 N -1.40 3.17 0.76 1.44 -4.23 -1.26 -0.45 115.64 113.67 1wr1 s THR 66 Ca 0.80 -4.09 -0.05 0.00 -1.18 0.00 0.00 61.69 57.18 1wr1 s THR 66 Cb -0.37 -3.06 0.12 0.00 1.34 0.00 0.00 72.50 70.53 1wr1 s THR 66 CO 0.40 -1.00 1.05 -0.76 -0.54 0.00 0.00 174.62 173.78 1wr1 s LEU 67 N -1.30 2.91 0.14 4.79 2.01 -0.27 -4.94 118.68 122.02 1wr1 s LEU 67 Ca 0.24 -0.04 0.11 0.00 0.01 0.00 0.00 54.13 54.45 1wr1 s LEU 67 Cb -0.07 -2.34 -0.04 0.00 0.01 0.00 0.00 46.19 43.75 1wr1 s LEU 67 CO -0.14 -1.94 -0.26 -1.00 1.01 0.00 0.00 176.35 174.01 1wr1 s HIS 68 N -3.29 2.30 0.03 0.29 3.76 -1.12 -0.67 115.29 116.59 1wr1 s HIS 68 Ca 0.66 -0.38 0.07 0.00 -0.15 0.00 0.00 55.06 55.26 1wr1 s HIS 68 Cb -0.06 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.36 1wr1 s HIS 68 CO 0.46 0.36 -0.17 -0.48 -0.85 0.00 0.00 174.74 174.06 1wr1 s LEU 69 N -2.15 2.65 -0.02 0.89 2.34 -0.66 -1.17 118.68 120.57 1wr1 s LEU 69 Ca 0.15 -0.39 0.03 0.00 0.06 0.00 0.00 54.13 53.98 1wr1 s LEU 69 Cb -0.10 -1.54 -0.00 0.00 -0.56 0.00 0.00 46.19 43.99 1wr1 s LEU 69 CO 0.07 0.26 -0.09 0.68 -1.06 0.00 0.00 176.35 176.21 1wr1 s VAL 70 N -0.91 0.78 -0.12 1.48 -7.23 -0.19 -3.65 120.40 110.56 1wr1 s VAL 70 Ca 0.15 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.90 1wr1 s VAL 70 Cb -0.11 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 1wr1 s VAL 70 CO 0.05 0.23 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.31 1wr1 s LEU 71 N -0.01 3.51 0.66 1.32 2.01 -1.26 -0.47 118.68 124.44 1wr1 s LEU 71 Ca 0.00 0.06 0.44 0.00 0.01 0.00 0.00 54.13 54.64 1wr1 s LEU 71 Cb -0.06 -1.82 2.38 0.00 0.01 0.00 0.00 46.19 46.69 1wr1 s LEU 71 CO 0.00 0.29 2.36 0.08 1.01 0.00 0.00 176.35 180.09 1wr1 h ARG 72 N 5.78 0.00 0.00 1.70 0.11 -1.64 -3.04 114.38 117.29 1wr1 h ARG 72 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1wr1 h ARG 72 Cb 1.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.27 1wr1 h ARG 72 CO 0.59 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.94 1wr1 n LEU 73 N -3.12 0.15 0.22 0.08 4.32 -1.26 -2.48 117.00 114.91 1wr1 n LEU 73 Ca -0.03 0.55 0.15 0.00 -0.02 0.00 0.00 56.01 56.67 1wr1 n LEU 73 Cb 0.08 -0.55 0.78 0.00 -1.62 0.00 0.00 43.42 42.11 1wr1 n LEU 73 CO 0.21 -0.46 0.96 0.03 -1.22 0.00 0.00 177.39 176.91 1wr1 h ARG 74 N 0.00 0.00 -4.90 3.23 2.47 -1.97 -3.45 114.38 109.77 1wr1 h ARG 74 Ca 0.00 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.26 1wr1 h ARG 74 Cb 0.15 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.33 1wr1 h ARG 74 CO 0.00 0.00 -0.51 0.20 0.56 0.00 0.00 179.97 180.22 1wr1 s GLY 75 N -3.80 2.29 0.00 0.04 0.00 -1.03 -5.21 107.32 99.61 1wr1 s GLY 75 Ca -0.02 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.83 1wr1 s GLY 75 CO 0.33 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.51