#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 1.14 0.20 2.12 -2.07 -1.26 -3.28 119.66 116.51 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 -0.16 -0.03 0.00 -1.09 0.00 0.00 33.01 31.73 1wr1 s GLN 2 CO 0.00 -0.19 0.22 0.96 -1.32 0.00 0.00 175.29 174.96 1wr1 s ILE 3 N -3.76 0.02 0.09 3.63 -5.25 -0.61 -0.46 121.20 114.87 1wr1 s ILE 3 Ca 0.27 -1.79 0.08 0.00 -0.99 0.00 0.00 60.65 58.22 1wr1 s ILE 3 Cb 0.07 -2.31 -0.03 0.00 2.95 0.00 0.00 42.46 43.13 1wr1 s ILE 3 CO 0.06 -0.08 -0.21 -0.36 -1.79 0.00 0.00 174.94 172.56 1wr1 s PHE 4 N -4.09 1.76 -0.05 1.37 0.40 0.23 -0.57 117.98 117.02 1wr1 s PHE 4 Ca 0.31 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 1wr1 s PHE 4 Cb 0.05 -0.98 0.02 0.00 0.51 0.00 0.00 43.02 42.63 1wr1 s PHE 4 CO 0.09 0.19 -0.02 0.08 0.70 0.00 0.00 175.22 176.25 1wr1 s VAL 5 N -1.13 0.42 -0.18 -0.44 1.01 -0.30 -1.12 120.40 118.66 1wr1 s VAL 5 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 1wr1 s VAL 5 Cb -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.80 1wr1 s VAL 5 CO 0.04 0.22 -0.16 -0.75 0.00 0.00 0.00 175.10 174.45 1wr1 s LYS 6 N 1.23 3.11 0.88 2.72 2.36 0.39 -0.16 119.74 130.27 1wr1 s LYS 6 Ca -0.06 -0.77 -0.11 0.00 -2.55 0.00 0.00 55.97 52.47 1wr1 s LYS 6 Cb -0.14 -2.67 0.12 0.00 -1.05 0.00 0.00 37.83 34.10 1wr1 s LYS 6 CO -0.02 -0.16 1.10 0.95 1.55 0.00 0.00 175.35 178.77 1wr1 s THR 7 N 1.22 2.74 0.21 3.43 -4.23 0.01 -1.56 115.64 117.46 1wr1 s THR 7 Ca 0.03 0.24 0.31 0.00 -1.18 0.00 0.00 61.69 61.09 1wr1 s THR 7 Cb -0.14 -2.60 0.34 0.00 1.34 0.00 0.00 72.50 71.44 1wr1 s THR 7 CO -0.08 -0.31 2.00 -0.07 -0.54 0.00 0.00 174.62 175.62 1wr1 h LEU 8 N -1.54 0.00 -0.09 4.79 3.38 -1.91 -3.02 115.31 116.91 1wr1 h LEU 8 Ca -0.47 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1wr1 h LEU 8 Cb 1.27 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.02 1wr1 h LEU 8 CO 0.51 0.08 -0.41 0.74 0.09 0.00 0.00 178.44 179.44 1wr1 h THR 9 N 0.00 1.39 0.00 0.22 2.02 -1.93 -3.49 112.91 111.12 1wr1 h THR 9 Ca -0.00 -1.76 0.00 0.00 0.77 0.00 0.00 66.41 65.42 1wr1 h THR 9 Cb 0.49 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1wr1 h THR 9 CO 0.01 0.52 0.00 0.61 0.37 0.00 0.00 175.52 177.03 1wr1 n GLY 10 N 0.68 -0.64 3.74 2.16 0.00 -1.14 -5.15 105.19 104.84 1wr1 n GLY 10 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.30 1.61 2.47 -1.26 -4.81 119.74 122.13 1wr1 s LYS 11 Ca 0.00 1.60 -0.09 0.00 -1.56 0.00 0.00 55.97 55.92 1wr1 s LYS 11 Cb 0.00 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 33.07 1wr1 s LYS 11 CO 0.00 0.23 0.13 0.99 0.16 0.00 0.00 175.35 176.86 1wr1 s THR 12 N -0.49 4.47 0.43 3.43 2.01 -1.26 -0.81 115.64 123.43 1wr1 s THR 12 Ca 0.46 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1wr1 s THR 12 Cb -0.27 -3.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1wr1 s THR 12 CO 0.33 0.09 0.73 -0.63 -0.69 0.00 0.00 174.62 174.46 1wr1 s ILE 13 N 1.59 4.93 -0.02 1.82 -1.09 0.78 -4.94 121.20 124.26 1wr1 s ILE 13 Ca 0.04 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 1wr1 s ILE 13 Cb -0.17 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 1wr1 s ILE 13 CO 0.05 -0.70 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.08 1wr1 s THR 14 N -2.56 0.80 0.12 2.92 2.01 -1.26 -1.15 115.64 116.53 1wr1 s THR 14 Ca 0.47 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1wr1 s THR 14 Cb -0.10 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1wr1 s THR 14 CO 0.40 0.25 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.73 1wr1 s LEU 15 N 0.14 2.51 -0.34 4.42 1.43 0.26 -4.99 118.68 122.11 1wr1 s LEU 15 Ca -0.02 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.05 1wr1 s LEU 15 Cb -0.08 -0.24 0.06 0.00 0.03 0.00 0.00 46.19 45.96 1wr1 s LEU 15 CO 0.00 -0.38 0.08 -0.70 0.23 0.00 0.00 176.35 175.59 1wr1 s GLU 16 N -3.71 2.35 0.35 1.70 2.12 -1.26 -1.57 118.70 118.68 1wr1 s GLU 16 Ca 0.14 -1.40 0.04 0.00 0.36 0.00 0.00 54.97 54.10 1wr1 s GLU 16 Cb 0.03 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1wr1 s GLU 16 CO -0.02 -0.76 0.14 0.14 -0.54 0.00 0.00 175.26 174.23 1wr1 s VAL 17 N 1.26 0.51 0.28 3.70 -7.23 -1.21 -5.01 120.40 112.70 1wr1 s VAL 17 Ca -0.01 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1wr1 s VAL 17 Cb -0.21 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1wr1 s VAL 17 CO -0.01 0.00 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.12 1wr1 s GLU 18 N -3.75 2.09 0.31 4.82 2.02 -1.26 -4.16 118.70 118.76 1wr1 s GLU 18 Ca 0.31 -1.57 0.21 0.00 0.02 0.00 0.00 54.97 53.93 1wr1 s GLU 18 Cb 0.04 -2.01 1.12 0.00 0.10 0.00 0.00 34.13 33.38 1wr1 s GLU 18 CO 0.17 0.31 1.63 -1.13 0.02 0.00 0.00 175.26 176.26 1wr1 n SER 19 N -0.83 0.54 -0.12 -0.19 3.41 -1.26 -1.38 113.62 113.78 1wr1 n SER 19 Ca -0.06 0.75 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 1wr1 n SER 19 Cb 0.60 -0.82 0.18 0.00 -0.26 0.00 0.00 64.21 63.91 1wr1 n SER 19 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wr1 n SER 20 N -2.22 0.92 -4.77 4.04 7.64 -1.26 -1.51 113.62 116.46 1wr1 n SER 20 Ca -0.01 -0.72 -0.41 0.00 1.01 0.00 0.00 58.87 58.73 1wr1 n SER 20 Cb 0.04 0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.63 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 -2.81 6.34 0.73 6.43 1.11 -0.48 -4.84 116.67 123.16 1wr1 s ASP 21 Ca 0.15 3.02 -0.11 0.00 0.18 0.00 0.00 52.55 55.78 1wr1 s ASP 21 Cb 0.18 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.54 1wr1 s ASP 21 CO 0.67 -0.90 1.09 0.42 1.18 0.00 0.00 175.17 177.63 1wr1 s THR 22 N -0.62 3.49 0.21 -1.27 -4.23 -1.26 -1.82 115.64 110.15 1wr1 s THR 22 Ca 0.58 0.48 -0.09 0.00 -1.18 0.00 0.00 61.69 61.48 1wr1 s THR 22 Cb -0.47 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.12 1wr1 s THR 22 CO 0.57 -0.63 1.81 0.40 -0.54 0.00 0.00 174.62 176.22 1wr1 h ILE 23 N -0.77 0.97 -0.47 2.99 1.08 -0.88 -0.62 117.51 119.82 1wr1 h ILE 23 Ca -0.45 -0.23 0.09 0.00 -0.39 0.00 0.00 64.86 63.87 1wr1 h ILE 23 Cb 1.25 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 35.15 1wr1 h ILE 23 CO 0.62 0.12 0.02 -0.78 -0.69 0.00 0.00 178.15 177.44 1wr1 h ASP 24 N 0.68 -0.15 -0.07 1.72 3.58 -1.68 -1.70 116.42 118.80 1wr1 h ASP 24 Ca 0.30 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.79 1wr1 h ASP 24 Cb 0.18 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 1wr1 h ASP 24 CO -0.18 -0.04 -0.12 0.78 -2.88 0.00 0.00 179.24 176.79 1wr1 h ASN 25 N 0.14 0.37 0.14 2.28 -0.26 -1.66 -2.42 115.58 114.16 1wr1 h ASN 25 Ca 0.24 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1wr1 h ASN 25 Cb 0.35 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 1wr1 h ASN 25 CO -0.37 0.53 -0.07 0.58 -1.06 0.00 0.00 177.43 177.04 1wr1 h VAL 26 N 0.36 1.02 -0.85 2.81 2.07 -0.75 -3.20 116.25 117.71 1wr1 h VAL 26 Ca 0.07 -0.93 0.20 0.00 0.82 0.00 0.00 66.70 66.85 1wr1 h VAL 26 Cb 0.44 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.67 1wr1 h VAL 26 CO 0.03 0.21 0.34 0.11 0.02 0.00 0.00 177.57 178.28 1wr1 h LYS 27 N -0.65 0.38 0.00 1.57 1.57 -1.22 -0.09 116.57 118.13 1wr1 h LYS 27 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1wr1 h LYS 27 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1wr1 h LYS 27 CO 0.03 0.25 0.00 0.77 -0.57 0.00 0.00 179.45 179.93 1wr1 h SER 28 N 0.39 0.00 0.35 0.86 0.02 -1.46 -2.46 113.55 111.25 1wr1 h SER 28 Ca 0.51 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.14 1wr1 h SER 28 Cb 0.92 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.48 1wr1 h SER 28 CO -0.51 0.00 -1.51 0.11 -1.14 0.00 0.00 176.83 173.79 1wr1 h LYS 29 N 0.00 0.41 -0.33 3.45 1.79 -1.00 -3.34 116.57 117.55 1wr1 h LYS 29 Ca 0.00 -0.69 0.09 0.00 -2.18 0.00 0.00 60.65 57.87 1wr1 h LYS 29 Cb 0.13 0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1wr1 h LYS 29 CO 0.00 1.31 0.24 0.82 -1.08 0.00 0.00 179.45 180.75 1wr1 h ILE 30 N 0.11 0.79 0.00 1.86 5.03 -1.47 -0.13 117.51 123.70 1wr1 h ILE 30 Ca -0.25 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1wr1 h ILE 30 Cb 2.09 0.83 0.00 0.00 -3.03 0.00 0.00 36.82 36.71 1wr1 h ILE 30 CO 0.22 0.00 0.00 -0.61 -0.68 0.00 0.00 178.15 177.08 1wr1 h GLN 31 N 0.00 0.00 0.00 2.37 4.15 -1.67 0.06 115.11 120.02 1wr1 h GLN 31 Ca 0.16 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 1wr1 h GLN 31 Cb 0.64 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1wr1 h GLN 31 CO -0.00 0.00 -0.68 0.22 -1.93 0.00 0.00 178.83 176.44 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.22 -3.12 116.42 114.97 1wr1 h ASP 32 Ca 0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 1wr1 h ASP 32 Cb 0.09 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 1wr1 h ASP 32 CO 0.00 0.19 -2.20 0.29 -2.88 0.00 0.00 179.24 174.64 1wr1 n LYS 33 N -2.94 0.74 0.00 0.28 4.76 -0.15 -4.80 118.16 116.05 1wr1 n LYS 33 Ca -0.00 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1wr1 n LYS 33 Cb 0.63 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.39 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 -2.98 2.63 -0.28 1.97 -0.58 -0.29 -5.06 120.64 116.05 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 0.94 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 31.09 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 1.35 0.78 3.66 0.62 0.00 -1.16 -5.00 105.19 105.45 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 -2.20 3.58 0.11 -0.61 1.01 -1.26 -4.82 121.20 117.02 1wr1 s ILE 36 Ca 0.00 0.70 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 1wr1 s ILE 36 Cb 0.00 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.93 1wr1 s ILE 36 CO 0.00 -0.07 1.47 -2.16 0.00 0.00 0.00 174.94 174.18 1wr1 s PRO 37 N 4.10 4.27 0.00 2.79 0.04 -1.26 -3.86 135.00 141.08 1wr1 s PRO 37 Ca 0.74 2.18 0.08 0.00 0.04 0.00 0.00 61.00 64.03 1wr1 s PRO 37 Cb -0.33 -3.29 0.41 0.00 0.04 0.00 0.00 34.50 31.33 1wr1 s PRO 37 CO 0.30 -0.53 1.05 -0.35 0.04 0.00 0.00 177.00 177.50 1wr1 n PRO 38 N 4.26 0.15 0.04 0.56 -0.04 -1.26 -1.37 135.00 137.35 1wr1 n PRO 38 Ca 0.13 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 1wr1 n PRO 38 Cb 0.41 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.20 0.56 0.04 3.54 2.03 -1.26 -4.34 116.55 115.91 1wr1 n ASP 39 Ca 0.04 -0.01 -0.18 0.00 0.52 0.00 0.00 54.79 55.17 1wr1 n ASP 39 Cb 0.05 0.94 -0.14 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.24 -6.81 -0.67 7.50 -1.61 -3.48 115.11 110.28 1wr1 h GLN 40 Ca 0.00 -0.41 -0.50 0.00 0.50 0.00 0.00 58.65 58.25 1wr1 h GLN 40 Cb 0.86 0.15 0.01 0.00 0.05 0.00 0.00 27.48 28.56 1wr1 h GLN 40 CO 0.00 1.08 0.06 1.14 -1.50 0.00 0.00 178.83 179.60 1wr1 s GLN 41 N -2.59 3.65 0.21 1.46 -2.07 -1.17 -0.74 119.66 118.40 1wr1 s GLN 41 Ca -0.13 0.25 0.04 0.00 -1.82 0.00 0.00 55.36 53.70 1wr1 s GLN 41 Cb 0.07 -2.44 -0.05 0.00 -1.09 0.00 0.00 33.01 29.50 1wr1 s GLN 41 CO 0.83 -0.06 -0.05 1.03 -1.32 0.00 0.00 175.29 175.73 1wr1 s ARG 42 N -4.18 1.27 0.17 9.60 0.52 0.77 -4.94 118.95 122.15 1wr1 s ARG 42 Ca 0.48 -1.61 0.11 0.00 -0.52 0.00 0.00 55.73 54.19 1wr1 s ARG 42 Cb -0.10 -0.68 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 1wr1 s ARG 42 CO 0.37 -0.02 -0.25 -0.51 0.02 0.00 0.00 175.30 174.91 1wr1 s LEU 43 N -3.27 2.39 -0.05 2.53 1.43 -1.26 -0.64 118.68 119.80 1wr1 s LEU 43 Ca 0.25 -0.82 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1wr1 s LEU 43 Cb 0.04 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.08 1wr1 s LEU 43 CO 0.06 0.15 -0.12 -0.63 0.23 0.00 0.00 176.35 176.03 1wr1 s ILE 44 N -1.42 1.10 -0.02 -0.59 -1.09 -0.34 -1.24 121.20 117.59 1wr1 s ILE 44 Ca 0.18 -0.50 -0.02 0.00 -2.23 0.00 0.00 60.65 58.08 1wr1 s ILE 44 Cb -0.09 -0.98 0.01 0.00 -1.58 0.00 0.00 42.46 39.82 1wr1 s ILE 44 CO 0.08 0.34 0.06 0.12 -1.23 0.00 0.00 174.94 174.31 1wr1 s PHE 45 N 0.36 -0.06 -1.16 3.97 5.36 -0.82 -2.23 117.98 123.40 1wr1 s PHE 45 Ca -0.08 0.17 -0.07 0.00 -0.96 0.00 0.00 56.93 55.99 1wr1 s PHE 45 Cb -0.12 -0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.60 1wr1 s PHE 45 CO 0.02 -0.04 0.36 0.00 -1.46 0.00 0.00 175.22 174.10 1wr1 n ALA 46 N 3.23 -1.00 0.00 11.12 0.00 -1.26 -1.06 120.51 131.53 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 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.05 2.61 3.72 0.00 0.00 -1.26 -5.01 105.19 104.20 1wr1 n GLY 47 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.43 -0.34 1.61 2.36 -0.23 -5.04 119.74 122.53 1wr1 s LYS 48 Ca 0.00 0.86 -0.29 0.00 -2.55 0.00 0.00 55.97 53.99 1wr1 s LYS 48 Cb 0.00 -3.43 0.00 0.00 -1.05 0.00 0.00 37.83 33.35 1wr1 s LYS 48 CO 0.00 0.11 1.39 -1.14 1.55 0.00 0.00 175.35 177.26 1wr1 s GLN 49 N 0.65 3.75 0.39 4.03 0.74 -1.26 -1.94 119.66 126.02 1wr1 s GLN 49 Ca 0.36 1.15 -0.24 0.00 0.05 0.00 0.00 55.36 56.69 1wr1 s GLN 49 Cb -0.18 -3.96 -0.10 0.00 1.10 0.00 0.00 33.01 29.87 1wr1 s GLN 49 CO 0.18 -1.34 0.99 -0.51 -0.55 0.00 0.00 175.29 174.06 1wr1 s LEU 50 N 4.95 4.12 -0.03 3.68 1.43 -0.37 -5.02 118.68 127.45 1wr1 s LEU 50 Ca 0.60 1.88 -0.16 0.00 -1.03 0.00 0.00 54.13 55.42 1wr1 s LEU 50 Cb -0.16 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 1wr1 s LEU 50 CO 0.28 -0.36 0.43 -0.70 0.23 0.00 0.00 176.35 176.23 1wr1 s GLU 51 N -2.60 4.06 0.30 1.70 2.12 -1.26 -4.60 118.70 118.40 1wr1 s GLU 51 Ca 0.57 0.43 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1wr1 s GLU 51 Cb -0.17 -3.28 0.51 0.00 0.26 0.00 0.00 34.13 31.44 1wr1 s GLU 51 CO 0.22 0.54 1.91 -0.44 -0.54 0.00 0.00 175.26 176.95 1wr1 h ASP 52 N 5.27 0.93 0.28 -1.70 5.19 -1.97 -2.08 116.42 122.34 1wr1 h ASP 52 Ca -0.48 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1wr1 h ASP 52 Cb 1.21 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1wr1 h ASP 52 CO 0.66 0.60 -0.04 0.61 -3.12 0.00 0.00 179.24 177.94 1wr1 n GLY 53 N -1.39 -0.97 3.89 2.75 0.00 -1.26 -2.04 105.19 106.18 1wr1 n GLY 53 Ca 0.14 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.33 3.28 0.63 1.61 1.81 -0.78 -4.90 118.95 118.27 1wr1 s ARG 54 Ca 0.35 0.40 0.03 0.00 -1.72 0.00 0.00 55.73 54.79 1wr1 s ARG 54 Cb 0.21 -2.17 0.09 0.00 -0.45 0.00 0.00 34.95 32.62 1wr1 s ARG 54 CO 0.43 -0.62 0.87 0.95 -0.68 0.00 0.00 175.30 176.25 1wr1 s THR 55 N -3.08 2.31 0.11 0.02 -4.23 -1.26 -0.61 115.64 108.89 1wr1 s THR 55 Ca 0.54 -0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 60.18 1wr1 s THR 55 Cb -0.11 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 71.06 1wr1 s THR 55 CO 0.50 0.00 1.42 -0.07 -0.54 0.00 0.00 174.62 175.93 1wr1 h LEU 56 N -0.16 0.81 -1.29 4.79 3.38 -1.35 -3.19 115.31 118.29 1wr1 h LEU 56 Ca -0.36 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.24 1wr1 h LEU 56 Cb 1.28 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1wr1 h LEU 56 CO 0.43 1.12 0.55 -1.28 0.09 0.00 0.00 178.44 179.36 1wr1 h SER 57 N 0.51 0.69 -0.18 -0.43 0.87 -1.55 -1.87 113.55 111.60 1wr1 h SER 57 Ca 0.04 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1wr1 h SER 57 Cb 0.91 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1wr1 h SER 57 CO 0.08 0.39 0.17 0.44 -0.53 0.00 0.00 176.83 177.38 1wr1 h ASP 58 N 0.76 0.00 -0.35 6.23 3.32 -1.84 -1.17 116.42 123.37 1wr1 h ASP 58 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1wr1 h ASP 58 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1wr1 h ASP 58 CO -0.17 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.13 1wr1 n TYR 59 N -4.02 0.77 -2.58 4.55 4.01 -0.83 -4.98 117.16 114.08 1wr1 n TYR 59 Ca 0.01 -0.66 -0.17 0.00 -0.16 0.00 0.00 57.90 56.93 1wr1 n TYR 59 Cb 0.30 -0.16 -0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.20 -4.63 -4.67 7.72 3.02 -0.44 -4.95 115.26 111.51 1wr1 n ASN 60 Ca 0.17 0.03 -0.44 0.00 -0.03 0.00 0.00 54.58 54.32 1wr1 n ASN 60 Cb 0.66 -3.87 -0.01 0.00 -0.61 0.00 0.00 39.78 35.94 1wr1 n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1wr1 n ILE 61 N -3.72 1.63 -3.99 2.41 2.08 -0.77 -4.99 119.36 112.01 1wr1 n ILE 61 Ca -0.16 -0.41 -0.25 0.00 0.56 0.00 0.00 62.75 62.49 1wr1 n ILE 61 Cb 0.63 -1.46 -0.04 0.00 -0.75 0.00 0.00 39.64 38.02 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 -1.32 2.29 0.53 0.38 -1.52 -1.26 -4.69 119.66 114.07 1wr1 s GLN 62 Ca 0.60 -1.90 -0.21 0.00 -1.95 0.00 0.00 55.36 51.90 1wr1 s GLN 62 Cb -0.62 -2.06 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 1wr1 s GLN 62 CO 0.58 -0.33 1.28 -1.59 -0.25 0.00 0.00 175.29 174.97 1wr1 s LYS 63 N -4.08 3.27 -1.60 2.91 0.00 -1.26 -2.92 119.74 116.06 1wr1 s LYS 63 Ca 0.37 2.03 0.00 0.00 0.00 0.00 0.00 55.97 58.37 1wr1 s LYS 63 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 37.83 35.60 1wr1 s LYS 63 CO 0.21 -1.02 0.00 0.39 0.00 0.00 0.00 175.35 174.93 1wr1 n GLU 64 N -0.99 -1.43 -1.77 1.78 1.02 0.40 -4.97 120.64 114.68 1wr1 n GLU 64 Ca 0.10 0.93 -0.38 0.00 -0.02 0.00 0.00 57.16 57.79 1wr1 n GLU 64 Cb 0.47 -5.22 0.05 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 -2.34 5.04 -0.82 1.62 0.01 -1.15 -4.68 113.70 111.39 1wr1 s SER 65 Ca 0.00 2.72 0.01 0.00 1.31 0.00 0.00 55.95 59.99 1wr1 s SER 65 Cb 0.00 -2.63 0.20 0.00 0.21 0.00 0.00 66.02 63.80 1wr1 s SER 65 CO 0.00 -1.72 0.67 0.42 0.41 0.00 0.00 173.24 173.02 1wr1 s THR 66 N -1.33 3.81 0.76 1.44 -4.23 -1.26 -0.61 115.64 114.22 1wr1 s THR 66 Ca 0.75 -3.99 -0.06 0.00 -1.18 0.00 0.00 61.69 57.21 1wr1 s THR 66 Cb -0.40 -3.41 0.11 0.00 1.34 0.00 0.00 72.50 70.15 1wr1 s THR 66 CO 0.45 -1.05 1.06 -0.76 -0.54 0.00 0.00 174.62 173.78 1wr1 s LEU 67 N -1.35 2.87 0.17 4.79 2.01 -0.27 -4.93 118.68 121.97 1wr1 s LEU 67 Ca 0.26 0.12 0.08 0.00 0.01 0.00 0.00 54.13 54.60 1wr1 s LEU 67 Cb -0.07 -2.55 -0.04 0.00 0.01 0.00 0.00 46.19 43.54 1wr1 s LEU 67 CO -0.14 -1.91 -0.16 -1.00 1.01 0.00 0.00 176.35 174.15 1wr1 s HIS 68 N -3.33 1.72 0.08 0.29 3.76 -0.94 -0.47 115.29 116.40 1wr1 s HIS 68 Ca 0.65 -0.52 0.10 0.00 -0.15 0.00 0.00 55.06 55.14 1wr1 s HIS 68 Cb -0.07 -0.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.74 1wr1 s HIS 68 CO 0.46 0.31 -0.26 -0.48 -0.85 0.00 0.00 174.74 173.92 1wr1 s LEU 69 N -2.85 2.24 -0.18 0.89 2.34 -0.60 -1.20 118.68 119.31 1wr1 s LEU 69 Ca 0.17 -0.66 -0.02 0.00 0.06 0.00 0.00 54.13 53.68 1wr1 s LEU 69 Cb -0.04 -1.22 0.05 0.00 -0.56 0.00 0.00 46.19 44.43 1wr1 s LEU 69 CO 0.06 0.21 0.00 -0.69 -1.06 0.00 0.00 176.35 174.87 1wr1 s VAL 70 N -0.93 0.77 0.02 1.48 1.01 0.19 -3.67 120.40 119.27 1wr1 s VAL 70 Ca 0.12 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 1wr1 s VAL 70 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1wr1 s VAL 70 CO 0.04 -0.09 0.87 -0.76 0.00 0.00 0.00 175.10 175.16 1wr1 s LEU 71 N 1.76 4.40 0.09 3.92 1.02 -1.26 -0.16 118.68 128.44 1wr1 s LEU 71 Ca -0.01 1.54 0.08 0.00 0.02 0.00 0.00 54.13 55.76 1wr1 s LEU 71 Cb -0.17 -3.39 0.41 0.00 0.02 0.00 0.00 46.19 43.07 1wr1 s LEU 71 CO -0.07 -0.13 1.26 -2.11 0.02 0.00 0.00 176.35 175.32 1wr1 n ARG 72 N 3.40 0.04 -0.05 1.70 1.85 0.08 -1.43 116.66 122.25 1wr1 n ARG 72 Ca 0.02 0.49 0.02 0.00 -1.00 0.00 0.00 57.85 57.38 1wr1 n ARG 72 Cb 0.51 -1.63 0.05 0.00 -1.05 0.00 0.00 32.46 30.34 1wr1 n ARG 72 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1wr1 n LEU 73 N -1.72 2.26 0.00 2.89 -0.00 -1.26 -5.06 117.00 114.11 1wr1 n LEU 73 Ca 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 56.01 53.88 1wr1 n LEU 73 Cb 0.05 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1wr1 n LEU 73 CO 0.05 0.57 0.00 -1.14 -0.00 0.00 0.00 177.39 176.87 1wr1 n ARG 74 N -0.40 0.00 -1.04 1.47 0.63 -0.52 -4.73 116.66 112.08 1wr1 n ARG 74 Ca 0.04 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.96 1wr1 n ARG 74 Cb 0.34 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.24 1wr1 n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wr1 n GLY 75 N 0.00 0.47 0.00 5.14 0.00 -1.26 -4.59 105.19 104.95 1wr1 n GLY 75 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93