#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 1.19 0.17 2.12 -2.07 -1.26 -3.02 119.66 116.79 1wr1 s GLN 2 Ca 0.00 -1.59 -0.06 0.00 -1.82 0.00 0.00 55.36 51.89 1wr1 s GLN 2 Cb 0.00 -0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 31.61 1wr1 s GLN 2 CO 0.00 -0.16 0.22 0.96 -1.32 0.00 0.00 175.29 174.99 1wr1 s ILE 3 N -3.66 0.06 0.10 3.63 -5.25 -0.50 -0.27 121.20 115.30 1wr1 s ILE 3 Ca 0.27 -1.62 0.08 0.00 -0.99 0.00 0.00 60.65 58.39 1wr1 s ILE 3 Cb 0.06 -2.04 -0.03 0.00 2.95 0.00 0.00 42.46 43.40 1wr1 s ILE 3 CO 0.06 -0.26 -0.20 -0.36 -1.79 0.00 0.00 174.94 172.39 1wr1 s PHE 4 N -4.02 1.73 -0.02 1.37 0.40 0.22 -0.60 117.98 117.05 1wr1 s PHE 4 Ca 0.23 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1wr1 s PHE 4 Cb 0.04 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.63 1wr1 s PHE 4 CO 0.03 0.18 -0.03 0.08 0.70 0.00 0.00 175.22 176.19 1wr1 s VAL 5 N -1.15 0.36 -0.16 -0.44 1.01 -0.29 -1.02 120.40 118.72 1wr1 s VAL 5 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1wr1 s VAL 5 Cb -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1wr1 s VAL 5 CO 0.04 0.15 -0.20 -0.75 0.00 0.00 0.00 175.10 174.34 1wr1 s LYS 6 N 0.55 3.05 0.99 2.72 2.36 0.22 -0.13 119.74 129.49 1wr1 s LYS 6 Ca -0.06 -0.83 -0.12 0.00 -2.55 0.00 0.00 55.97 52.41 1wr1 s LYS 6 Cb -0.10 -2.52 0.19 0.00 -1.05 0.00 0.00 37.83 34.35 1wr1 s LYS 6 CO -0.01 -0.08 1.09 0.95 1.55 0.00 0.00 175.35 178.85 1wr1 s THR 7 N 0.99 2.17 0.19 3.43 -4.23 -0.31 -1.59 115.64 116.31 1wr1 s THR 7 Ca -0.02 0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.66 1wr1 s THR 7 Cb -0.15 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 1wr1 s THR 7 CO -0.05 -0.07 1.57 -0.07 -0.54 0.00 0.00 174.62 175.45 1wr1 h LEU 8 N -1.90 0.00 -0.68 4.79 3.38 -1.91 -3.24 115.31 115.75 1wr1 h LEU 8 Ca -0.54 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 1wr1 h LEU 8 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1wr1 h LEU 8 CO 0.56 0.62 0.09 0.74 0.09 0.00 0.00 178.44 180.54 1wr1 h THR 9 N 0.00 1.26 0.00 0.22 2.02 -1.96 -3.47 112.91 110.98 1wr1 h THR 9 Ca -0.01 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1wr1 h THR 9 Cb 1.19 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1wr1 h THR 9 CO 0.08 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.98 1wr1 n GLY 10 N -0.55 0.22 3.71 2.16 0.00 -1.22 -5.14 105.19 104.37 1wr1 n GLY 10 Ca 0.04 0.00 -0.41 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 4.54 -0.36 1.61 2.47 -1.26 -4.85 119.74 121.88 1wr1 s LYS 11 Ca 0.00 1.29 -0.13 0.00 -1.56 0.00 0.00 55.97 55.56 1wr1 s LYS 11 Cb 0.00 -3.45 -0.00 0.00 -1.46 0.00 0.00 37.83 32.92 1wr1 s LYS 11 CO 0.00 0.01 0.25 0.99 0.16 0.00 0.00 175.35 176.76 1wr1 s THR 12 N 0.86 5.21 0.47 3.43 2.01 -1.26 -1.16 115.64 125.20 1wr1 s THR 12 Ca 0.48 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.97 1wr1 s THR 12 Cb -0.20 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 1wr1 s THR 12 CO 0.26 -0.12 0.85 -0.63 -0.69 0.00 0.00 174.62 174.29 1wr1 s ILE 13 N 1.69 4.76 -0.03 1.82 -1.09 0.82 -4.93 121.20 124.24 1wr1 s ILE 13 Ca 0.05 0.67 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1wr1 s ILE 13 Cb -0.18 -3.78 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1wr1 s ILE 13 CO 0.10 -0.72 -0.13 -0.89 -1.23 0.00 0.00 174.94 172.08 1wr1 s THR 14 N -2.62 1.05 0.12 2.92 2.01 -1.26 -1.14 115.64 116.73 1wr1 s THR 14 Ca 0.52 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.04 1wr1 s THR 14 Cb -0.10 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1wr1 s THR 14 CO 0.38 0.31 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.76 1wr1 s LEU 15 N 0.05 2.47 -0.39 4.42 1.43 0.23 -4.99 118.68 121.89 1wr1 s LEU 15 Ca -0.02 -0.92 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1wr1 s LEU 15 Cb -0.09 -0.32 0.10 0.00 0.03 0.00 0.00 46.19 45.91 1wr1 s LEU 15 CO 0.01 -0.30 0.16 -0.70 0.23 0.00 0.00 176.35 175.75 1wr1 s GLU 16 N -3.30 1.94 0.43 1.70 2.12 -1.26 -1.42 118.70 118.91 1wr1 s GLU 16 Ca 0.11 -1.79 0.03 0.00 0.36 0.00 0.00 54.97 53.68 1wr1 s GLU 16 Cb 0.00 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1wr1 s GLU 16 CO 0.00 -1.02 0.07 0.14 -0.54 0.00 0.00 175.26 173.92 1wr1 s VAL 17 N 1.11 0.94 0.30 3.70 -7.23 -1.17 -4.99 120.40 113.06 1wr1 s VAL 17 Ca 0.08 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1wr1 s VAL 17 Cb -0.22 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1wr1 s VAL 17 CO -0.05 0.00 0.07 -1.61 -0.31 0.00 0.00 175.10 173.21 1wr1 s GLU 18 N -3.79 2.37 0.49 4.82 2.02 -1.26 -4.05 118.70 119.30 1wr1 s GLU 18 Ca 0.21 -1.46 0.33 0.00 0.02 0.00 0.00 54.97 54.07 1wr1 s GLU 18 Cb 0.04 -2.19 1.77 0.00 0.10 0.00 0.00 34.13 33.85 1wr1 s GLU 18 CO 0.12 0.25 2.00 0.66 0.02 0.00 0.00 175.26 178.31 1wr1 h SER 19 N 1.71 0.00 -0.02 -0.19 4.64 -1.97 -2.43 113.55 115.29 1wr1 h SER 19 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 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 0.62 0.00 -0.40 -1.20 -0.87 0.00 0.00 176.83 174.98 1wr1 n SER 20 N -2.65 2.02 -4.73 4.97 7.64 -1.26 -1.90 113.62 117.71 1wr1 n SER 20 Ca -0.02 -1.51 -0.32 0.00 1.01 0.00 0.00 58.87 58.03 1wr1 n SER 20 Cb 0.06 0.43 0.10 0.00 -1.01 0.00 0.00 64.21 63.79 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 -2.27 4.15 0.44 6.43 1.01 -0.92 -4.87 116.67 120.65 1wr1 s ASP 21 Ca 0.18 2.12 -0.01 0.00 0.71 0.00 0.00 52.55 55.55 1wr1 s ASP 21 Cb 0.17 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 1wr1 s ASP 21 CO 0.50 -2.28 0.69 0.42 0.21 0.00 0.00 175.17 174.71 1wr1 s THR 22 N -2.43 4.46 0.24 -1.27 -4.23 -1.26 -2.50 115.64 108.65 1wr1 s THR 22 Ca 0.68 -0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.84 1wr1 s THR 22 Cb -0.23 -3.66 0.21 0.00 1.34 0.00 0.00 72.50 70.15 1wr1 s THR 22 CO 0.50 -0.52 1.86 0.40 -0.54 0.00 0.00 174.62 176.32 1wr1 h ILE 23 N 0.40 1.08 -0.75 2.99 1.08 -1.10 -0.81 117.51 120.40 1wr1 h ILE 23 Ca -0.47 -0.35 0.11 0.00 -0.39 0.00 0.00 64.86 63.76 1wr1 h ILE 23 Cb 1.23 -0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.89 1wr1 h ILE 23 CO 0.60 0.18 0.37 -0.78 -0.69 0.00 0.00 178.15 177.83 1wr1 h ASP 24 N 1.01 0.47 0.00 1.72 3.58 -1.72 -1.88 116.42 119.60 1wr1 h ASP 24 Ca 0.36 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.88 1wr1 h ASP 24 Cb 0.10 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1wr1 h ASP 24 CO -0.15 0.25 -0.00 0.78 -2.88 0.00 0.00 179.24 177.24 1wr1 h ASN 25 N 0.61 -0.00 -0.08 2.28 2.35 -1.62 -2.51 115.58 116.59 1wr1 h ASN 25 Ca 0.38 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1wr1 h ASN 25 Cb 0.45 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.76 1wr1 h ASN 25 CO -0.30 0.21 -0.28 0.58 -1.65 0.00 0.00 177.43 175.99 1wr1 h VAL 26 N -0.21 0.36 -0.69 2.81 2.07 -0.83 -1.31 116.25 118.45 1wr1 h VAL 26 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1wr1 h VAL 26 Cb 0.21 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 30.23 1wr1 h VAL 26 CO 0.00 0.00 0.05 0.11 0.02 0.00 0.00 177.57 177.76 1wr1 h LYS 27 N -0.38 0.15 0.00 1.57 1.57 -1.38 -0.13 116.57 117.98 1wr1 h LYS 27 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1wr1 h LYS 27 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1wr1 h LYS 27 CO -0.30 0.10 0.00 1.03 -0.57 0.00 0.00 179.45 179.71 1wr1 h SER 28 N 0.16 0.00 0.58 0.86 0.87 -0.81 -2.54 113.55 112.67 1wr1 h SER 28 Ca 0.37 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.65 1wr1 h SER 28 Cb 0.63 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1wr1 h SER 28 CO -0.56 0.00 -1.44 0.11 -0.53 0.00 0.00 176.83 174.41 1wr1 h LYS 29 N 0.00 0.15 -0.36 2.24 1.79 -0.04 -3.23 116.57 117.11 1wr1 h LYS 29 Ca 0.00 -0.25 0.05 0.00 -2.18 0.00 0.00 60.65 58.26 1wr1 h LYS 29 Cb 0.21 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1wr1 h LYS 29 CO 0.00 0.98 0.25 0.82 -1.08 0.00 0.00 179.45 180.42 1wr1 h ILE 30 N 0.04 0.97 0.00 1.86 5.03 -1.28 -1.45 117.51 122.69 1wr1 h ILE 30 Ca -0.20 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1wr1 h ILE 30 Cb 1.96 0.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.40 1wr1 h ILE 30 CO 0.14 0.05 0.00 -0.61 -0.68 0.00 0.00 178.15 177.05 1wr1 h GLN 31 N 0.29 0.00 0.00 2.37 4.15 -1.56 0.09 115.11 120.46 1wr1 h GLN 31 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 1wr1 h GLN 31 Cb 0.25 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 1wr1 h GLN 31 CO -0.03 0.00 -0.43 0.22 -1.93 0.00 0.00 178.83 176.66 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.41 -3.09 116.42 114.82 1wr1 h ASP 32 Ca 0.00 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.14 1wr1 h ASP 32 Cb 0.07 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.07 1wr1 h ASP 32 CO 0.00 0.12 -2.18 0.29 -2.88 0.00 0.00 179.24 174.59 1wr1 n LYS 33 N -3.00 0.64 0.00 0.28 4.76 -0.09 -4.80 118.16 115.95 1wr1 n LYS 33 Ca 0.02 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1wr1 n LYS 33 Cb 0.59 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 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 -3.04 3.08 -0.45 1.97 -0.58 -0.53 -5.05 120.64 116.05 1wr1 n GLU 34 Ca -0.35 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 1wr1 n GLU 34 Cb 0.91 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 31.05 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 1.21 0.77 3.64 0.62 0.00 -1.17 -5.01 105.19 105.26 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 -2.15 3.39 0.09 -0.61 1.01 -1.26 -4.84 121.20 116.84 1wr1 s ILE 36 Ca 0.00 0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 1wr1 s ILE 36 Cb 0.00 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 1wr1 s ILE 36 CO 0.00 -0.10 1.37 -2.16 0.00 0.00 0.00 174.94 174.04 1wr1 s PRO 37 N 4.63 4.33 0.25 2.79 0.04 -1.26 -3.86 135.00 141.92 1wr1 s PRO 37 Ca 0.80 2.03 0.18 0.00 0.04 0.00 0.00 61.00 64.05 1wr1 s PRO 37 Cb -0.33 -3.30 0.95 0.00 0.04 0.00 0.00 34.50 31.86 1wr1 s PRO 37 CO 0.33 -0.43 1.57 -0.35 0.04 0.00 0.00 177.00 178.16 1wr1 n PRO 38 N 4.12 0.12 0.23 0.56 -0.04 -1.26 -1.21 135.00 137.52 1wr1 n PRO 38 Ca 0.11 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 1wr1 n PRO 38 Cb 0.43 -1.87 0.30 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.00 3.54 3.32 -1.98 -3.35 116.42 117.95 1wr1 h ASP 39 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wr1 h ASP 39 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wr1 h ASP 39 CO 0.00 0.06 -0.25 0.00 -1.72 0.00 0.00 179.24 177.33 1wr1 n GLN 40 N -3.13 2.67 -4.19 3.56 6.02 -0.35 -5.01 117.38 116.96 1wr1 n GLN 40 Ca 0.03 -0.42 -0.27 0.00 -0.01 0.00 0.00 57.00 56.33 1wr1 n GLN 40 Cb 0.49 -1.02 -0.08 0.00 1.02 0.00 0.00 30.24 30.66 1wr1 n GLN 40 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1wr1 s GLN 41 N -1.44 2.46 0.28 -1.09 -2.07 -1.13 -0.59 119.66 116.08 1wr1 s GLN 41 Ca 0.06 -1.06 0.07 0.00 -1.82 0.00 0.00 55.36 52.61 1wr1 s GLN 41 Cb 0.07 -2.40 -0.06 0.00 -1.09 0.00 0.00 33.01 29.53 1wr1 s GLN 41 CO 0.27 0.47 -0.07 1.03 -1.32 0.00 0.00 175.29 175.67 1wr1 s ARG 42 N -2.90 1.57 0.14 9.60 0.52 0.20 -4.92 118.95 123.16 1wr1 s ARG 42 Ca 0.28 -1.80 0.10 0.00 -0.52 0.00 0.00 55.73 53.79 1wr1 s ARG 42 Cb -0.10 -1.21 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 1wr1 s ARG 42 CO 0.19 0.05 -0.23 -0.51 0.02 0.00 0.00 175.30 174.82 1wr1 s LEU 43 N -3.46 2.35 -0.06 2.53 1.43 -1.26 -0.84 118.68 119.37 1wr1 s LEU 43 Ca 0.30 -0.77 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1wr1 s LEU 43 Cb 0.03 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1wr1 s LEU 43 CO 0.12 0.10 -0.08 -0.63 0.23 0.00 0.00 176.35 176.10 1wr1 s ILE 44 N -1.34 0.80 -0.03 -0.59 -1.09 -0.39 -1.03 121.20 117.53 1wr1 s ILE 44 Ca 0.13 -0.27 -0.07 0.00 -2.23 0.00 0.00 60.65 58.21 1wr1 s ILE 44 Cb -0.09 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 40.02 1wr1 s ILE 44 CO 0.06 0.28 0.16 0.12 -1.23 0.00 0.00 174.94 174.34 1wr1 s PHE 45 N 0.84 -0.07 -0.84 3.97 5.36 -0.90 -2.50 117.98 123.84 1wr1 s PHE 45 Ca -0.12 0.15 -0.03 0.00 -0.96 0.00 0.00 56.93 55.97 1wr1 s PHE 45 Cb -0.15 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.56 1wr1 s PHE 45 CO 0.01 -0.20 0.13 0.00 -1.46 0.00 0.00 175.22 173.70 1wr1 n ALA 46 N 2.13 -0.92 -0.46 11.12 0.00 -1.26 -0.78 120.51 130.33 1wr1 n ALA 46 Ca -0.18 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1wr1 n ALA 46 Cb 0.57 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.50 3.74 0.00 0.00 -1.26 -5.02 105.19 103.33 1wr1 n GLY 47 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 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 4.43 -0.39 1.61 2.47 0.04 -5.04 119.74 122.72 1wr1 s LYS 48 Ca 0.00 0.90 -0.29 0.00 -1.56 0.00 0.00 55.97 55.02 1wr1 s LYS 48 Cb 0.00 -3.40 0.01 0.00 -1.46 0.00 0.00 37.83 32.98 1wr1 s LYS 48 CO 0.00 0.20 1.45 -1.14 0.16 0.00 0.00 175.35 176.02 1wr1 s GLN 49 N 0.32 3.57 0.17 4.03 0.74 -1.26 -2.11 119.66 125.12 1wr1 s GLN 49 Ca 0.36 1.02 -0.30 0.00 0.05 0.00 0.00 55.36 56.49 1wr1 s GLN 49 Cb -0.19 -4.04 -0.07 0.00 1.10 0.00 0.00 33.01 29.81 1wr1 s GLN 49 CO 0.19 -1.57 1.07 -0.51 -0.55 0.00 0.00 175.29 173.91 1wr1 s LEU 50 N 5.54 4.50 0.09 3.68 1.43 -0.20 -5.02 118.68 128.70 1wr1 s LEU 50 Ca 0.63 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 55.60 1wr1 s LEU 50 Cb -0.15 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 1wr1 s LEU 50 CO 0.32 -0.17 0.53 -0.70 0.23 0.00 0.00 176.35 176.56 1wr1 s GLU 51 N -0.39 4.05 0.26 1.70 2.12 -1.26 -4.51 118.70 120.67 1wr1 s GLU 51 Ca 0.48 0.56 -0.03 0.00 0.36 0.00 0.00 54.97 56.34 1wr1 s GLU 51 Cb -0.28 -3.11 0.37 0.00 0.26 0.00 0.00 34.13 31.37 1wr1 s GLU 51 CO 0.34 0.59 1.89 -0.44 -0.54 0.00 0.00 175.26 177.10 1wr1 h ASP 52 N 4.17 1.07 0.32 -1.70 3.32 -1.96 -2.50 116.42 119.14 1wr1 h ASP 52 Ca -0.50 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1wr1 h ASP 52 Cb 1.21 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1wr1 h ASP 52 CO 0.64 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 179.48 1wr1 n GLY 53 N -1.37 -1.14 3.85 2.75 0.00 -1.26 -2.27 105.19 105.75 1wr1 n GLY 53 Ca 0.15 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.32 2.16 0.45 1.61 1.81 -0.94 -4.89 118.95 116.82 1wr1 s ARG 54 Ca 0.36 0.40 0.07 0.00 -1.72 0.00 0.00 55.73 54.85 1wr1 s ARG 54 Cb 0.21 -1.95 -0.01 0.00 -0.45 0.00 0.00 34.95 32.75 1wr1 s ARG 54 CO 0.41 -1.52 0.37 0.95 -0.68 0.00 0.00 175.30 174.84 1wr1 s THR 55 N -3.34 2.40 0.15 0.02 -4.23 -1.26 -1.01 115.64 108.36 1wr1 s THR 55 Ca 0.61 -1.41 -0.17 0.00 -1.18 0.00 0.00 61.69 59.53 1wr1 s THR 55 Cb -0.13 -2.81 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 1wr1 s THR 55 CO 0.52 0.00 1.75 -0.07 -0.54 0.00 0.00 174.62 176.28 1wr1 h LEU 56 N 1.00 0.11 -2.00 4.79 -0.00 -1.52 -2.70 115.31 115.00 1wr1 h LEU 56 Ca -0.40 0.03 0.10 0.00 -0.00 0.00 0.00 57.88 57.61 1wr1 h LEU 56 Cb 1.27 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.94 1wr1 h LEU 56 CO 0.59 0.10 0.25 0.28 -0.00 0.00 0.00 178.44 179.65 1wr1 h SER 57 N 0.24 0.00 0.20 -0.43 0.02 -1.62 -1.60 113.55 110.37 1wr1 h SER 57 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1wr1 h SER 57 Cb 0.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1wr1 h SER 57 CO -0.14 0.00 -0.09 -0.78 -1.14 0.00 0.00 176.83 174.68 1wr1 h ASP 58 N 0.00 0.00 -0.38 3.07 3.58 -1.78 -1.36 116.42 119.54 1wr1 h ASP 58 Ca 0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1wr1 h ASP 58 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1wr1 h ASP 58 CO -0.00 0.09 0.00 -1.22 -2.88 0.00 0.00 179.24 175.22 1wr1 n TYR 59 N -3.84 0.86 -2.62 0.28 4.01 -0.96 -4.97 117.16 109.91 1wr1 n TYR 59 Ca -0.02 -0.66 -0.17 0.00 -0.16 0.00 0.00 57.90 56.89 1wr1 n TYR 59 Cb 0.18 -0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.30 -4.68 -4.68 7.72 5.15 -0.51 -4.93 115.26 113.62 1wr1 n ASN 60 Ca 0.18 0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.72 1wr1 n ASN 60 Cb 0.69 -3.91 -0.04 0.00 -0.53 0.00 0.00 39.78 36.00 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1wr1 n ILE 61 N -3.76 0.31 -2.84 -1.44 2.08 -0.64 -4.96 119.36 108.11 1wr1 n ILE 61 Ca -0.15 -0.06 -0.19 0.00 0.56 0.00 0.00 62.75 62.91 1wr1 n ILE 61 Cb 0.62 -1.89 0.03 0.00 -0.75 0.00 0.00 39.64 37.66 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 2.53 2.62 0.89 0.38 -1.52 -1.26 -4.54 119.66 118.76 1wr1 s GLN 62 Ca 0.84 -1.08 -0.10 0.00 -1.95 0.00 0.00 55.36 53.07 1wr1 s GLN 62 Cb -0.59 -2.62 0.13 0.00 -0.22 0.00 0.00 33.01 29.71 1wr1 s GLN 62 CO 0.41 -0.55 1.14 -1.59 -0.25 0.00 0.00 175.29 174.45 1wr1 s LYS 63 N -4.58 1.19 -1.02 2.91 0.00 -1.26 -3.49 119.74 113.50 1wr1 s LYS 63 Ca 0.57 1.49 0.00 0.00 0.00 0.00 0.00 55.97 58.03 1wr1 s LYS 63 Cb -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 37.83 35.98 1wr1 s LYS 63 CO 0.36 -2.49 0.00 -0.85 0.00 0.00 0.00 175.35 172.37 1wr1 n GLU 64 N -4.13 -1.45 -1.38 1.78 0.28 0.63 -4.97 120.64 111.40 1wr1 n GLU 64 Ca 0.11 0.57 -0.32 0.00 -0.16 0.00 0.00 57.16 57.36 1wr1 n GLU 64 Cb 0.52 -4.83 0.09 0.00 1.43 0.00 0.00 31.44 28.65 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1wr1 s SER 65 N -1.88 4.38 -0.49 -1.84 1.04 -1.23 -4.78 113.70 108.90 1wr1 s SER 65 Ca 0.00 2.07 0.03 0.00 0.48 0.00 0.00 55.95 58.53 1wr1 s SER 65 Cb 0.00 -2.55 0.14 0.00 0.10 0.00 0.00 66.02 63.70 1wr1 s SER 65 CO 0.00 -2.13 0.26 0.42 0.98 0.00 0.00 173.24 172.78 1wr1 s THR 66 N -2.45 1.97 0.59 2.02 -4.23 -1.26 -0.61 115.64 111.67 1wr1 s THR 66 Ca 0.67 -2.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.23 1wr1 s THR 66 Cb -0.22 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.32 1wr1 s THR 66 CO 0.49 -0.87 0.82 -0.76 -0.54 0.00 0.00 174.62 173.76 1wr1 s LEU 67 N -0.03 3.20 0.19 4.79 2.01 -0.19 -4.97 118.68 123.68 1wr1 s LEU 67 Ca 0.18 -0.39 0.10 0.00 0.01 0.00 0.00 54.13 54.03 1wr1 s LEU 67 Cb -0.23 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.67 1wr1 s LEU 67 CO -0.01 -1.37 -0.19 -1.00 1.01 0.00 0.00 176.35 174.79 1wr1 s HIS 68 N -2.80 1.98 0.09 0.29 3.76 -1.04 -0.61 115.29 116.94 1wr1 s HIS 68 Ca 0.61 -0.44 0.08 0.00 -0.15 0.00 0.00 55.06 55.17 1wr1 s HIS 68 Cb -0.08 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 1wr1 s HIS 68 CO 0.40 0.43 -0.22 -0.48 -0.85 0.00 0.00 174.74 174.01 1wr1 s LEU 69 N -2.88 2.25 -0.28 0.89 2.34 -0.62 -1.26 118.68 119.13 1wr1 s LEU 69 Ca 0.20 -0.64 -0.01 0.00 0.06 0.00 0.00 54.13 53.73 1wr1 s LEU 69 Cb -0.05 -1.00 0.09 0.00 -0.56 0.00 0.00 46.19 44.67 1wr1 s LEU 69 CO 0.09 0.12 0.07 -0.69 -1.06 0.00 0.00 176.35 174.88 1wr1 s VAL 70 N -1.01 0.84 0.05 1.48 1.01 -0.02 -4.30 120.40 118.44 1wr1 s VAL 70 Ca 0.08 -1.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.57 1wr1 s VAL 70 Cb -0.10 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.69 1wr1 s VAL 70 CO 0.04 -0.52 1.36 -0.76 0.00 0.00 0.00 175.10 175.22 1wr1 s LEU 71 N 1.66 4.34 0.53 3.92 2.01 -1.26 -0.63 118.68 129.26 1wr1 s LEU 71 Ca 0.06 2.17 0.18 0.00 0.01 0.00 0.00 54.13 56.55 1wr1 s LEU 71 Cb -0.17 -3.57 1.35 0.00 0.01 0.00 0.00 46.19 43.81 1wr1 s LEU 71 CO -0.20 -0.65 2.16 0.08 1.01 0.00 0.00 176.35 178.75 1wr1 h ARG 72 N 7.30 0.00 -0.27 1.70 0.11 -1.08 -1.17 114.38 120.96 1wr1 h ARG 72 Ca -0.40 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.63 1wr1 h ARG 72 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1wr1 h ARG 72 CO 0.87 0.00 -0.02 -0.07 0.10 0.00 0.00 179.97 180.86 1wr1 h LEU 73 N 0.00 0.48 -0.61 0.08 4.07 -1.90 -2.79 115.31 114.64 1wr1 h LEU 73 Ca 0.01 -0.32 -0.12 0.00 0.08 0.00 0.00 57.88 57.53 1wr1 h LEU 73 Cb 0.04 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1wr1 h LEU 73 CO -0.00 0.69 -0.19 -0.09 -1.08 0.00 0.00 178.44 177.77 1wr1 h ARG 74 N 0.26 0.90 0.00 1.13 9.65 -1.75 -3.45 114.38 121.12 1wr1 h ARG 74 Ca 0.07 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1wr1 h ARG 74 Cb 0.45 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1wr1 h ARG 74 CO 0.02 1.01 0.00 0.41 2.80 0.00 0.00 179.97 184.21 1wr1 n GLY 75 N -0.22 -1.64 0.00 2.80 0.00 -0.52 -5.05 105.19 100.56 1wr1 n GLY 75 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93