#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 0.18 2.12 -2.07 -1.26 -3.28 119.66 116.39 1wr1 s GLN 2 Ca 0.00 -1.51 -0.06 0.00 -1.82 0.00 0.00 55.36 51.97 1wr1 s GLN 2 Cb 0.00 0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 31.97 1wr1 s GLN 2 CO 0.00 -0.24 0.23 0.96 -1.32 0.00 0.00 175.29 174.92 1wr1 s ILE 3 N -3.94 0.05 0.08 3.63 -5.25 -0.48 -0.17 121.20 115.12 1wr1 s ILE 3 Ca 0.27 -1.65 0.07 0.00 -0.99 0.00 0.00 60.65 58.35 1wr1 s ILE 3 Cb 0.07 -2.11 -0.03 0.00 2.95 0.00 0.00 42.46 43.34 1wr1 s ILE 3 CO 0.04 -0.21 -0.19 -0.36 -1.79 0.00 0.00 174.94 172.44 1wr1 s PHE 4 N -4.04 1.63 -0.05 1.37 0.40 0.30 -0.52 117.98 117.08 1wr1 s PHE 4 Ca 0.25 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1wr1 s PHE 4 Cb 0.04 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.68 1wr1 s PHE 4 CO 0.05 0.15 -0.02 0.08 0.70 0.00 0.00 175.22 176.18 1wr1 s VAL 5 N -1.12 0.41 -0.22 -0.44 1.01 -0.27 -1.00 120.40 118.77 1wr1 s VAL 5 Ca 0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1wr1 s VAL 5 Cb -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1wr1 s VAL 5 CO 0.03 0.22 -0.06 -0.75 0.00 0.00 0.00 175.10 174.54 1wr1 s LYS 6 N 1.29 3.18 0.93 2.72 2.36 0.28 -0.23 119.74 130.27 1wr1 s LYS 6 Ca -0.06 -0.75 -0.11 0.00 -2.55 0.00 0.00 55.97 52.50 1wr1 s LYS 6 Cb -0.13 -2.96 0.15 0.00 -1.05 0.00 0.00 37.83 33.84 1wr1 s LYS 6 CO -0.02 -0.26 1.09 0.95 1.55 0.00 0.00 175.35 178.66 1wr1 s THR 7 N 1.42 2.51 0.31 3.43 -4.23 0.01 -2.34 115.64 116.75 1wr1 s THR 7 Ca 0.04 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 60.77 1wr1 s THR 7 Cb -0.15 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1wr1 s THR 7 CO -0.05 -0.22 1.78 -0.07 -0.54 0.00 0.00 174.62 175.53 1wr1 h LEU 8 N -1.75 0.40 -0.67 4.79 3.38 -1.91 -3.10 115.31 116.46 1wr1 h LEU 8 Ca -0.49 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 1wr1 h LEU 8 Cb 1.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1wr1 h LEU 8 CO 0.50 0.62 0.16 0.74 0.09 0.00 0.00 178.44 180.55 1wr1 h THR 9 N 0.37 1.26 0.00 0.22 2.02 -1.94 -3.47 112.91 111.36 1wr1 h THR 9 Ca 0.06 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1wr1 h THR 9 Cb 0.57 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1wr1 h THR 9 CO 0.04 0.36 0.00 0.61 0.37 0.00 0.00 175.52 176.90 1wr1 n GLY 10 N -0.66 0.10 3.73 2.16 0.00 -1.17 -5.14 105.19 104.20 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 4.68 -0.34 1.61 2.47 -1.26 -4.84 119.74 122.06 1wr1 s LYS 11 Ca 0.00 1.45 -0.11 0.00 -1.56 0.00 0.00 55.97 55.75 1wr1 s LYS 11 Cb 0.00 -3.39 -0.00 0.00 -1.46 0.00 0.00 37.83 32.98 1wr1 s LYS 11 CO 0.00 0.17 0.20 0.99 0.16 0.00 0.00 175.35 176.87 1wr1 s THR 12 N 0.15 4.87 0.45 3.43 2.01 -1.26 -0.81 115.64 124.48 1wr1 s THR 12 Ca 0.48 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.91 1wr1 s THR 12 Cb -0.23 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 1wr1 s THR 12 CO 0.30 -0.03 0.84 -0.63 -0.69 0.00 0.00 174.62 174.41 1wr1 s ILE 13 N 1.64 4.71 -0.03 1.82 -1.09 0.68 -4.93 121.20 124.00 1wr1 s ILE 13 Ca 0.05 0.81 0.02 0.00 -2.23 0.00 0.00 60.65 59.30 1wr1 s ILE 13 Cb -0.18 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1wr1 s ILE 13 CO 0.08 -0.59 -0.08 -0.89 -1.23 0.00 0.00 174.94 172.22 1wr1 s THR 14 N -2.47 0.75 0.10 2.92 2.01 -1.26 -1.11 115.64 116.57 1wr1 s THR 14 Ca 0.54 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1wr1 s THR 14 Cb -0.10 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 1wr1 s THR 14 CO 0.32 0.24 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.64 1wr1 s LEU 15 N 0.25 2.44 -0.41 4.42 1.43 0.32 -4.99 118.68 122.13 1wr1 s LEU 15 Ca -0.04 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.15 1wr1 s LEU 15 Cb -0.09 -0.22 0.11 0.00 0.03 0.00 0.00 46.19 46.02 1wr1 s LEU 15 CO 0.00 -0.33 0.22 -0.70 0.23 0.00 0.00 176.35 175.77 1wr1 s GLU 16 N -3.12 2.05 0.45 1.70 2.12 -1.26 -1.39 118.70 119.25 1wr1 s GLU 16 Ca 0.07 -1.81 0.03 0.00 0.36 0.00 0.00 54.97 53.62 1wr1 s GLU 16 Cb -0.00 -3.62 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 1wr1 s GLU 16 CO -0.01 -1.08 0.10 0.14 -0.54 0.00 0.00 175.26 173.86 1wr1 s VAL 17 N 1.16 0.70 0.29 3.70 -7.23 -1.20 -5.00 120.40 112.82 1wr1 s VAL 17 Ca 0.08 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.35 1wr1 s VAL 17 Cb -0.23 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 1wr1 s VAL 17 CO -0.04 0.00 -0.15 -1.61 -0.31 0.00 0.00 175.10 173.00 1wr1 s GLU 18 N -3.74 1.68 0.62 4.82 2.02 -1.26 -4.16 118.70 118.67 1wr1 s GLU 18 Ca 0.17 -1.81 0.34 0.00 0.02 0.00 0.00 54.97 53.69 1wr1 s GLU 18 Cb 0.01 -1.63 1.87 0.00 0.10 0.00 0.00 34.13 34.48 1wr1 s GLU 18 CO 0.11 0.22 2.04 0.77 0.02 0.00 0.00 175.26 178.43 1wr1 h SER 19 N 2.21 0.00 0.30 -0.19 0.02 -1.97 -1.08 113.55 112.85 1wr1 h SER 19 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 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 0.64 0.00 -0.64 -1.20 -1.14 0.00 0.00 176.83 174.49 1wr1 n SER 20 N -2.86 0.75 -4.77 3.07 7.64 -1.26 -1.32 113.62 114.88 1wr1 n SER 20 Ca -0.02 -0.58 -0.40 0.00 1.01 0.00 0.00 58.87 58.88 1wr1 n SER 20 Cb 0.22 0.49 -0.00 0.00 -1.01 0.00 0.00 64.21 63.91 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 -2.95 6.29 0.61 6.43 1.01 -0.41 -4.83 116.67 122.81 1wr1 s ASP 21 Ca 0.11 2.85 -0.09 0.00 0.71 0.00 0.00 52.55 56.14 1wr1 s ASP 21 Cb 0.17 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 1wr1 s ASP 21 CO 0.74 -0.89 0.97 0.42 0.21 0.00 0.00 175.17 176.62 1wr1 s THR 22 N -1.18 4.14 0.23 -1.27 -4.23 -1.26 -1.88 115.64 110.18 1wr1 s THR 22 Ca 0.55 0.41 -0.07 0.00 -1.18 0.00 0.00 61.69 61.40 1wr1 s THR 22 Cb -0.42 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 69.95 1wr1 s THR 22 CO 0.56 -0.77 1.84 0.40 -0.54 0.00 0.00 174.62 176.11 1wr1 h ILE 23 N -0.27 1.03 -0.71 2.99 1.08 -1.14 -0.53 117.51 119.97 1wr1 h ILE 23 Ca -0.45 -0.30 0.10 0.00 -0.39 0.00 0.00 64.86 63.81 1wr1 h ILE 23 Cb 1.23 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.97 1wr1 h ILE 23 CO 0.62 0.16 0.34 -0.78 -0.69 0.00 0.00 178.15 177.80 1wr1 h ASP 24 N 0.89 0.42 -0.04 1.72 3.58 -1.72 -1.85 116.42 119.42 1wr1 h ASP 24 Ca 0.34 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.86 1wr1 h ASP 24 Cb 0.15 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1wr1 h ASP 24 CO -0.17 0.23 0.01 0.78 -2.88 0.00 0.00 179.24 177.22 1wr1 h ASN 25 N 0.57 0.06 -0.05 2.28 2.35 -1.63 -2.56 115.58 116.60 1wr1 h ASN 25 Ca 0.36 -0.22 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1wr1 h ASN 25 Cb 0.41 -0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1wr1 h ASN 25 CO -0.29 0.26 -0.22 0.58 -1.65 0.00 0.00 177.43 176.11 1wr1 h VAL 26 N -0.15 0.47 -0.71 2.81 2.07 -0.81 -1.09 116.25 118.84 1wr1 h VAL 26 Ca 0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.69 1wr1 h VAL 26 Cb 0.23 0.47 -0.12 0.00 -1.52 0.00 0.00 31.29 30.35 1wr1 h VAL 26 CO -0.00 0.00 0.07 0.11 0.02 0.00 0.00 177.57 177.77 1wr1 h LYS 27 N -0.32 0.16 0.00 1.57 1.57 -1.38 0.09 116.57 118.25 1wr1 h LYS 27 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1wr1 h LYS 27 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1wr1 h LYS 27 CO -0.24 0.11 0.00 1.03 -0.57 0.00 0.00 179.45 179.78 1wr1 h SER 28 N 0.17 0.00 0.50 0.86 0.87 -0.80 -2.67 113.55 112.46 1wr1 h SER 28 Ca 0.39 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.65 1wr1 h SER 28 Cb 0.67 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1wr1 h SER 28 CO -0.57 0.00 -1.58 0.11 -0.53 0.00 0.00 176.83 174.26 1wr1 h LYS 29 N 0.00 0.14 -0.61 2.24 1.79 0.13 -3.29 116.57 116.96 1wr1 h LYS 29 Ca 0.00 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.30 1wr1 h LYS 29 Cb 0.26 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.96 1wr1 h LYS 29 CO 0.00 0.91 0.40 0.82 -1.08 0.00 0.00 179.45 180.50 1wr1 h ILE 30 N 0.04 0.99 0.00 1.86 5.03 -1.22 -1.43 117.51 122.78 1wr1 h ILE 30 Ca -0.25 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1wr1 h ILE 30 Cb 1.98 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 1wr1 h ILE 30 CO 0.12 0.11 0.00 -0.61 -0.68 0.00 0.00 178.15 177.09 1wr1 h GLN 31 N 0.58 0.00 0.00 2.37 4.15 -1.62 -0.29 115.11 120.31 1wr1 h GLN 31 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1wr1 h GLN 31 Cb 0.30 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1wr1 h GLN 31 CO -0.08 0.00 -0.07 0.22 -1.93 0.00 0.00 178.83 176.97 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.40 -3.14 116.42 114.77 1wr1 h ASP 32 Ca 0.00 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 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 0.06 -2.36 0.29 -2.88 0.00 0.00 179.24 174.36 1wr1 n LYS 33 N -3.11 0.54 0.00 0.28 4.76 -0.19 -4.83 118.16 115.61 1wr1 n LYS 33 Ca 0.04 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1wr1 n LYS 33 Cb 0.56 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 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 -3.79 3.23 -0.16 1.97 -0.58 -0.79 -5.06 120.64 115.47 1wr1 n GLU 34 Ca -0.46 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 1wr1 n GLU 34 Cb 0.88 -0.47 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 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 0.80 0.78 3.67 0.62 0.00 -1.18 -5.01 105.19 104.86 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 -2.13 3.34 0.01 -0.61 1.01 -1.26 -4.81 121.20 116.74 1wr1 s ILE 36 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1wr1 s ILE 36 Cb 0.00 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 1wr1 s ILE 36 CO 0.00 -0.04 1.52 -2.16 0.00 0.00 0.00 174.94 174.27 1wr1 s PRO 37 N 3.88 4.24 0.00 2.79 0.04 -1.26 -3.99 135.00 140.70 1wr1 s PRO 37 Ca 0.77 2.11 0.08 0.00 0.04 0.00 0.00 61.00 64.00 1wr1 s PRO 37 Cb -0.37 -3.66 0.37 0.00 0.04 0.00 0.00 34.50 30.88 1wr1 s PRO 37 CO 0.33 -0.68 1.18 -0.35 0.04 0.00 0.00 177.00 177.52 1wr1 n PRO 38 N 5.79 0.06 0.03 0.56 -0.04 -1.26 -1.55 135.00 138.58 1wr1 n PRO 38 Ca 0.15 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1wr1 n PRO 38 Cb 0.42 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.38 0.63 -0.08 3.54 2.03 -1.26 -4.36 116.55 115.66 1wr1 n ASP 39 Ca 0.03 -0.20 -0.09 0.00 0.52 0.00 0.00 54.79 55.06 1wr1 n ASP 39 Cb 0.07 0.51 -0.12 0.00 -0.72 0.00 0.00 41.12 40.86 1wr1 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1wr1 n GLN 40 N -1.84 1.25 -2.57 -0.67 3.00 -0.60 -5.00 117.38 110.95 1wr1 n GLN 40 Ca 0.03 0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.71 1wr1 n GLN 40 Cb 0.40 -1.41 -0.05 0.00 0.00 0.00 0.00 30.24 29.18 1wr1 n GLN 40 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1wr1 s GLN 41 N -2.39 4.00 0.11 -1.09 -2.07 -1.06 -1.42 119.66 115.74 1wr1 s GLN 41 Ca -0.11 1.10 0.05 0.00 -1.82 0.00 0.00 55.36 54.58 1wr1 s GLN 41 Cb 0.05 -2.14 -0.04 0.00 -1.09 0.00 0.00 33.01 29.79 1wr1 s GLN 41 CO 0.63 -0.23 -0.13 1.03 -1.32 0.00 0.00 175.29 175.28 1wr1 s ARG 42 N -3.57 0.94 0.11 9.60 0.52 0.46 -4.93 118.95 122.08 1wr1 s ARG 42 Ca 0.62 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 1wr1 s ARG 42 Cb -0.11 -0.77 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 1wr1 s ARG 42 CO 0.22 0.14 -0.19 -0.51 0.02 0.00 0.00 175.30 174.98 1wr1 s LEU 43 N -2.37 2.63 -0.08 2.53 1.43 -1.26 -0.92 118.68 120.64 1wr1 s LEU 43 Ca 0.06 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1wr1 s LEU 43 Cb -0.05 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.70 1wr1 s LEU 43 CO 0.02 0.19 -0.07 -0.63 0.23 0.00 0.00 176.35 176.08 1wr1 s ILE 44 N -1.10 0.85 -0.00 -0.59 -1.09 -0.42 -1.30 121.20 117.54 1wr1 s ILE 44 Ca 0.17 -0.25 -0.03 0.00 -2.23 0.00 0.00 60.65 58.31 1wr1 s ILE 44 Cb -0.10 -0.85 -0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1wr1 s ILE 44 CO 0.09 0.31 0.05 0.12 -1.23 0.00 0.00 174.94 174.28 1wr1 s PHE 45 N 1.21 0.06 -0.73 3.97 5.36 -0.96 -2.47 117.98 124.43 1wr1 s PHE 45 Ca -0.05 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 1wr1 s PHE 45 Cb -0.14 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 1wr1 s PHE 45 CO -0.02 -0.15 0.00 0.00 -1.46 0.00 0.00 175.22 173.59 1wr1 n ALA 46 N 2.19 -0.77 -0.52 11.12 0.00 -1.26 -0.90 120.51 130.37 1wr1 n ALA 46 Ca -0.19 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wr1 n ALA 46 Cb 0.57 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.65 1.40 3.82 0.00 0.00 -1.26 -5.03 105.19 103.48 1wr1 n GLY 47 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1wr1 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wr1 s LYS 48 N -0.13 4.17 -0.58 1.61 -0.14 -0.08 -5.05 119.74 119.55 1wr1 s LYS 48 Ca 0.00 0.73 -0.27 0.00 -1.36 0.00 0.00 55.97 55.07 1wr1 s LYS 48 Cb 0.00 -3.01 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 1wr1 s LYS 48 CO 0.00 0.50 1.12 -1.14 -0.76 0.00 0.00 175.35 175.07 1wr1 s GLN 49 N -1.69 3.45 0.00 1.68 -0.44 -1.26 -2.26 119.66 119.13 1wr1 s GLN 49 Ca 0.37 0.07 -0.30 0.00 -2.50 0.00 0.00 55.36 53.00 1wr1 s GLN 49 Cb -0.17 -4.03 -0.05 0.00 -1.64 0.00 0.00 33.01 27.12 1wr1 s GLN 49 CO 0.20 -1.64 1.29 -0.51 0.50 0.00 0.00 175.29 175.14 1wr1 s LEU 50 N 4.67 4.32 0.23 3.68 1.43 -0.42 -5.01 118.68 127.58 1wr1 s LEU 50 Ca 0.39 2.01 -0.27 0.00 -1.03 0.00 0.00 54.13 55.23 1wr1 s LEU 50 Cb -0.09 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.48 1wr1 s LEU 50 CO 0.23 -0.62 0.88 -0.70 0.23 0.00 0.00 176.35 176.36 1wr1 s GLU 51 N 1.99 4.67 0.26 1.70 2.12 -1.26 -4.55 118.70 123.62 1wr1 s GLU 51 Ca 0.60 1.31 -0.04 0.00 0.36 0.00 0.00 54.97 57.21 1wr1 s GLU 51 Cb -0.29 -3.15 0.38 0.00 0.26 0.00 0.00 34.13 31.33 1wr1 s GLU 51 CO 0.26 0.48 1.87 -0.44 -0.54 0.00 0.00 175.26 176.88 1wr1 h ASP 52 N 3.95 0.95 0.30 -1.70 3.32 -1.95 -2.39 116.42 118.89 1wr1 h ASP 52 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1wr1 h ASP 52 Cb 1.20 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1wr1 h ASP 52 CO 0.67 0.60 -0.01 0.61 -1.72 0.00 0.00 179.24 179.39 1wr1 n GLY 53 N -1.35 -1.10 3.84 2.75 0.00 -1.26 -2.23 105.19 105.84 1wr1 n GLY 53 Ca 0.14 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.31 2.55 0.39 1.61 1.81 -0.90 -4.89 118.95 117.21 1wr1 s ARG 54 Ca 0.37 0.60 0.08 0.00 -1.72 0.00 0.00 55.73 55.05 1wr1 s ARG 54 Cb 0.21 -1.97 -0.01 0.00 -0.45 0.00 0.00 34.95 32.72 1wr1 s ARG 54 CO 0.42 -1.28 0.41 0.95 -0.68 0.00 0.00 175.30 175.12 1wr1 s THR 55 N -3.23 3.12 0.21 0.02 -4.23 -1.26 -1.10 115.64 109.17 1wr1 s THR 55 Ca 0.59 -1.23 -0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1wr1 s THR 55 Cb -0.13 -3.09 0.15 0.00 1.34 0.00 0.00 72.50 70.77 1wr1 s THR 55 CO 0.53 -0.06 1.87 -0.07 -0.54 0.00 0.00 174.62 176.35 1wr1 h LEU 56 N 0.97 0.81 -1.75 4.79 3.38 -1.37 -2.57 115.31 119.58 1wr1 h LEU 56 Ca -0.42 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.61 1wr1 h LEU 56 Cb 1.27 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1wr1 h LEU 56 CO 0.54 0.57 0.32 -1.28 0.09 0.00 0.00 178.44 178.68 1wr1 h SER 57 N 0.96 0.27 0.09 -0.43 0.87 -1.46 -1.71 113.55 112.14 1wr1 h SER 57 Ca 0.28 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 1wr1 h SER 57 Cb -0.05 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1wr1 h SER 57 CO -0.08 0.17 -0.08 -0.78 -0.53 0.00 0.00 176.83 175.53 1wr1 h ASP 58 N 0.30 0.00 -0.54 6.23 3.58 -1.74 -1.54 116.42 122.70 1wr1 h ASP 58 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1wr1 h ASP 58 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1wr1 h ASP 58 CO -0.05 0.08 0.00 -1.22 -2.88 0.00 0.00 179.24 175.17 1wr1 n TYR 59 N -4.31 0.97 -2.29 0.28 4.01 -0.92 -4.97 117.16 109.92 1wr1 n TYR 59 Ca -0.03 -0.57 -0.17 0.00 -0.16 0.00 0.00 57.90 56.97 1wr1 n TYR 59 Cb 0.16 -0.11 -0.02 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 0.94 -4.95 -4.67 7.72 2.85 -0.58 -4.94 115.26 111.62 1wr1 n ASN 60 Ca 0.21 0.12 -0.46 0.00 -0.11 0.00 0.00 54.58 54.34 1wr1 n ASN 60 Cb 0.67 -4.19 -0.04 0.00 1.24 0.00 0.00 39.78 37.46 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 -3.52 0.11 -3.65 -1.44 2.08 -0.69 -4.98 119.36 107.27 1wr1 n ILE 61 Ca -0.20 -0.03 -0.23 0.00 0.56 0.00 0.00 62.75 62.86 1wr1 n ILE 61 Cb 0.64 -1.53 -0.02 0.00 -0.75 0.00 0.00 39.64 37.98 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 0.75 2.41 0.71 0.38 -1.52 -1.26 -4.61 119.66 116.52 1wr1 s GLN 62 Ca 0.77 -1.71 -0.16 0.00 -1.95 0.00 0.00 55.36 52.31 1wr1 s GLN 62 Cb -0.67 -2.29 0.02 0.00 -0.22 0.00 0.00 33.01 29.85 1wr1 s GLN 62 CO 0.39 -0.38 1.20 0.36 -0.25 0.00 0.00 175.29 176.62 1wr1 n LYS 63 N -1.65 0.70 -1.97 2.91 -0.00 -1.26 -2.95 118.16 113.94 1wr1 n LYS 63 Ca 0.03 0.30 -0.07 0.00 -0.00 0.00 0.00 58.31 58.57 1wr1 n LYS 63 Cb 0.63 -2.44 -0.01 0.00 -0.00 0.00 0.00 35.03 33.20 1wr1 n LYS 63 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1wr1 n GLU 64 N -2.32 -1.98 -1.73 -1.58 0.28 0.76 -4.94 120.64 109.13 1wr1 n GLU 64 Ca 0.15 0.39 -0.36 0.00 -0.16 0.00 0.00 57.16 57.18 1wr1 n GLU 64 Cb 0.49 -4.78 0.07 0.00 1.43 0.00 0.00 31.44 28.64 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1wr1 s SER 65 N -1.86 4.63 -0.53 -1.84 0.01 -1.15 -4.76 113.70 108.19 1wr1 s SER 65 Ca 0.00 2.50 0.04 0.00 1.31 0.00 0.00 55.95 59.80 1wr1 s SER 65 Cb 0.00 -2.61 0.14 0.00 0.21 0.00 0.00 66.02 63.76 1wr1 s SER 65 CO 0.00 -1.98 0.29 0.42 0.41 0.00 0.00 173.24 172.38 1wr1 s THR 66 N -1.59 2.48 0.59 1.44 -4.23 -1.26 -0.54 115.64 112.54 1wr1 s THR 66 Ca 0.79 -3.35 0.06 0.00 -1.18 0.00 0.00 61.69 58.01 1wr1 s THR 66 Cb -0.34 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 70.87 1wr1 s THR 66 CO 0.39 -0.84 0.82 -0.76 -0.54 0.00 0.00 174.62 173.70 1wr1 s LEU 67 N -0.36 3.15 0.17 4.79 2.01 -0.17 -4.97 118.68 123.30 1wr1 s LEU 67 Ca 0.18 -0.59 0.09 0.00 0.01 0.00 0.00 54.13 53.81 1wr1 s LEU 67 Cb -0.23 -1.96 -0.04 0.00 0.01 0.00 0.00 46.19 43.97 1wr1 s LEU 67 CO -0.02 -1.40 -0.18 -1.00 1.01 0.00 0.00 176.35 174.76 1wr1 s HIS 68 N -2.77 1.82 0.08 0.29 3.76 -1.03 -0.55 115.29 116.89 1wr1 s HIS 68 Ca 0.62 -0.47 0.08 0.00 -0.15 0.00 0.00 55.06 55.14 1wr1 s HIS 68 Cb -0.06 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.69 1wr1 s HIS 68 CO 0.40 0.34 -0.22 -0.48 -0.85 0.00 0.00 174.74 173.92 1wr1 s LEU 69 N -2.73 2.25 -0.02 0.89 2.34 -0.99 -1.30 118.68 119.12 1wr1 s LEU 69 Ca 0.16 -0.64 0.03 0.00 0.06 0.00 0.00 54.13 53.75 1wr1 s LEU 69 Cb -0.05 -1.01 -0.00 0.00 -0.56 0.00 0.00 46.19 44.57 1wr1 s LEU 69 CO 0.07 0.13 -0.09 0.54 -1.06 0.00 0.00 176.35 175.93 1wr1 s VAL 70 N -0.99 0.79 -0.18 1.48 0.11 -0.10 -3.87 120.40 117.64 1wr1 s VAL 70 Ca 0.09 -0.39 -0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1wr1 s VAL 70 Cb -0.10 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1wr1 s VAL 70 CO 0.04 0.24 0.06 -0.76 -3.33 0.00 0.00 175.10 171.34 1wr1 s LEU 71 N 0.05 3.79 0.00 2.54 2.01 -1.26 -0.40 118.68 125.41 1wr1 s LEU 71 Ca -0.01 0.08 0.17 0.00 0.01 0.00 0.00 54.13 54.38 1wr1 s LEU 71 Cb -0.07 -1.95 0.71 0.00 0.01 0.00 0.00 46.19 44.89 1wr1 s LEU 71 CO 0.00 0.18 1.53 -2.11 1.01 0.00 0.00 176.35 176.97 1wr1 n ARG 72 N 3.49 0.00 -0.06 1.70 1.85 -0.50 -4.05 116.66 119.09 1wr1 n ARG 72 Ca -0.17 0.22 0.19 0.00 -1.00 0.00 0.00 57.85 57.09 1wr1 n ARG 72 Cb 0.52 -1.51 0.63 0.00 -1.05 0.00 0.00 32.46 31.06 1wr1 n ARG 72 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1wr1 h LEU 73 N 0.00 0.13 -2.15 2.89 -0.00 -1.93 -0.88 115.31 113.37 1wr1 h LEU 73 Ca 0.00 0.01 0.06 0.00 -0.00 0.00 0.00 57.88 57.95 1wr1 h LEU 73 Cb 0.29 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1wr1 h LEU 73 CO 0.00 0.07 0.29 -0.09 -0.00 0.00 0.00 178.44 178.70 1wr1 h ARG 74 N 0.13 0.00 0.00 1.13 2.43 -2.01 -3.44 114.38 112.63 1wr1 h ARG 74 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1wr1 h ARG 74 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1wr1 h ARG 74 CO -0.04 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.83 1wr1 n GLY 75 N -1.39 -0.08 0.00 2.80 0.00 -0.41 -5.26 105.19 100.85 1wr1 n GLY 75 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93