#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 1.10 0.17 2.12 -2.07 -1.26 -3.11 119.66 116.60 1wr1 s GLN 2 Ca 0.00 -1.54 -0.05 0.00 -1.82 0.00 0.00 55.36 51.96 1wr1 s GLN 2 Cb 0.00 -0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 31.78 1wr1 s GLN 2 CO 0.00 -0.19 0.19 0.96 -1.32 0.00 0.00 175.29 174.93 1wr1 s ILE 3 N -3.79 0.05 0.10 3.63 -5.25 -0.46 -0.40 121.20 115.08 1wr1 s ILE 3 Ca 0.26 -1.73 0.08 0.00 -0.99 0.00 0.00 60.65 58.27 1wr1 s ILE 3 Cb 0.07 -2.13 -0.03 0.00 2.95 0.00 0.00 42.46 43.32 1wr1 s ILE 3 CO 0.05 -0.24 -0.20 -0.36 -1.79 0.00 0.00 174.94 172.40 1wr1 s PHE 4 N -4.05 1.69 -0.03 1.37 0.40 0.40 -0.53 117.98 117.22 1wr1 s PHE 4 Ca 0.26 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1wr1 s PHE 4 Cb 0.05 -0.93 0.03 0.00 0.51 0.00 0.00 43.02 42.68 1wr1 s PHE 4 CO 0.05 0.18 0.03 0.08 0.70 0.00 0.00 175.22 176.26 1wr1 s VAL 5 N -1.21 0.01 -0.18 -0.44 1.01 -0.26 -0.97 120.40 118.36 1wr1 s VAL 5 Ca 0.05 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1wr1 s VAL 5 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1wr1 s VAL 5 CO 0.04 0.14 -0.13 -0.75 0.00 0.00 0.00 175.10 174.40 1wr1 s LYS 6 N 1.47 3.23 0.89 2.72 2.36 0.19 -0.21 119.74 130.39 1wr1 s LYS 6 Ca -0.04 -0.72 -0.11 0.00 -2.55 0.00 0.00 55.97 52.54 1wr1 s LYS 6 Cb -0.13 -2.73 0.13 0.00 -1.05 0.00 0.00 37.83 34.05 1wr1 s LYS 6 CO -0.03 -0.08 1.09 0.95 1.55 0.00 0.00 175.35 178.84 1wr1 s THR 7 N 1.07 2.70 0.38 3.43 -4.23 0.01 -1.38 115.64 117.63 1wr1 s THR 7 Ca -0.00 0.23 0.12 0.00 -1.18 0.00 0.00 61.69 60.86 1wr1 s THR 7 Cb -0.15 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.15 1wr1 s THR 7 CO -0.03 -0.30 1.86 -0.07 -0.54 0.00 0.00 174.62 175.54 1wr1 h LEU 8 N -1.55 0.05 -0.35 4.79 3.38 -1.91 -3.13 115.31 116.58 1wr1 h LEU 8 Ca -0.49 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 1wr1 h LEU 8 Cb 1.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1wr1 h LEU 8 CO 0.53 0.36 -0.26 0.74 0.09 0.00 0.00 178.44 179.90 1wr1 h THR 9 N 0.04 1.29 0.00 0.22 2.02 -1.93 -3.48 112.91 111.07 1wr1 h THR 9 Ca 0.00 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.77 1wr1 h THR 9 Cb 0.57 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1wr1 h THR 9 CO 0.04 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.01 1wr1 n GLY 10 N 0.05 -0.38 3.73 2.16 0.00 -1.18 -5.15 105.19 104.42 1wr1 n GLY 10 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 4.67 -0.29 1.61 2.47 -1.26 -4.83 119.74 122.11 1wr1 s LYS 11 Ca 0.00 1.43 -0.09 0.00 -1.56 0.00 0.00 55.97 55.75 1wr1 s LYS 11 Cb 0.00 -3.38 -0.01 0.00 -1.46 0.00 0.00 37.83 32.97 1wr1 s LYS 11 CO 0.00 0.19 0.13 0.99 0.16 0.00 0.00 175.35 176.82 1wr1 s THR 12 N 0.10 4.54 0.38 3.43 2.01 -1.26 -0.81 115.64 124.03 1wr1 s THR 12 Ca 0.47 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 62.07 1wr1 s THR 12 Cb -0.23 -3.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1wr1 s THR 12 CO 0.29 0.14 0.67 -0.63 -0.69 0.00 0.00 174.62 174.41 1wr1 s ILE 13 N 1.62 4.95 -0.03 1.82 -1.09 0.71 -4.94 121.20 124.23 1wr1 s ILE 13 Ca 0.05 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.63 1wr1 s ILE 13 Cb -0.17 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.93 1wr1 s ILE 13 CO 0.06 -0.57 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.24 1wr1 s THR 14 N -2.39 0.64 0.11 2.92 2.01 -1.26 -1.10 115.64 116.57 1wr1 s THR 14 Ca 0.46 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1wr1 s THR 14 Cb -0.10 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1wr1 s THR 14 CO 0.36 0.22 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.67 1wr1 s LEU 15 N 0.34 2.50 -0.36 4.42 1.43 0.31 -4.99 118.68 122.33 1wr1 s LEU 15 Ca -0.05 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1wr1 s LEU 15 Cb -0.09 -0.15 0.10 0.00 0.03 0.00 0.00 46.19 46.08 1wr1 s LEU 15 CO 0.00 -0.42 0.11 -0.70 0.23 0.00 0.00 176.35 175.57 1wr1 s GLU 16 N -3.69 1.86 0.40 1.70 2.12 -1.26 -1.35 118.70 118.48 1wr1 s GLU 16 Ca 0.12 -1.75 0.03 0.00 0.36 0.00 0.00 54.97 53.73 1wr1 s GLU 16 Cb 0.04 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1wr1 s GLU 16 CO -0.03 -0.94 0.10 0.14 -0.54 0.00 0.00 175.26 173.99 1wr1 s VAL 17 N 1.06 0.75 0.34 3.70 -7.23 -1.18 -5.00 120.40 112.85 1wr1 s VAL 17 Ca 0.07 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 1wr1 s VAL 17 Cb -0.21 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1wr1 s VAL 17 CO -0.05 0.00 0.06 -1.61 -0.31 0.00 0.00 175.10 173.19 1wr1 s GLU 18 N -3.76 2.18 0.65 4.82 2.02 -1.26 -4.09 118.70 119.25 1wr1 s GLU 18 Ca 0.24 -1.69 0.37 0.00 0.02 0.00 0.00 54.97 53.91 1wr1 s GLU 18 Cb 0.04 -2.01 2.05 0.00 0.10 0.00 0.00 34.13 34.30 1wr1 s GLU 18 CO 0.14 0.11 2.21 0.77 0.02 0.00 0.00 175.26 178.51 1wr1 h SER 19 N 1.70 0.00 -0.01 -0.19 0.02 -1.98 -2.47 113.55 110.62 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 -0.57 -1.20 -1.14 0.00 0.00 176.83 174.58 1wr1 n SER 20 N -3.26 1.80 -4.73 3.07 7.64 -1.26 -1.86 113.62 115.03 1wr1 n SER 20 Ca -0.02 -1.40 -0.31 0.00 1.01 0.00 0.00 58.87 58.15 1wr1 n SER 20 Cb 0.19 0.58 0.12 0.00 -1.01 0.00 0.00 64.21 64.09 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 -2.54 3.92 0.35 6.43 1.01 -0.93 -4.87 116.67 120.04 1wr1 s ASP 21 Ca 0.16 2.03 0.03 0.00 0.71 0.00 0.00 52.55 55.48 1wr1 s ASP 21 Cb 0.17 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 1wr1 s ASP 21 CO 0.62 -2.43 0.52 0.42 0.21 0.00 0.00 175.17 174.50 1wr1 s THR 22 N -2.68 4.56 0.24 -1.27 -4.23 -1.26 -2.48 115.64 108.51 1wr1 s THR 22 Ca 0.65 -0.74 -0.06 0.00 -1.18 0.00 0.00 61.69 60.35 1wr1 s THR 22 Cb -0.21 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.21 1wr1 s THR 22 CO 0.55 -0.33 1.86 0.40 -0.54 0.00 0.00 174.62 176.56 1wr1 h ILE 23 N 0.79 1.09 -0.77 2.99 1.08 -1.09 -0.43 117.51 121.17 1wr1 h ILE 23 Ca -0.48 -0.35 0.09 0.00 -0.39 0.00 0.00 64.86 63.73 1wr1 h ILE 23 Cb 1.24 -0.02 -0.07 0.00 -3.07 0.00 0.00 36.82 34.90 1wr1 h ILE 23 CO 0.58 0.19 0.42 -0.78 -0.69 0.00 0.00 178.15 177.86 1wr1 h ASP 24 N 1.01 0.58 -0.03 1.72 3.58 -1.72 -1.61 116.42 119.96 1wr1 h ASP 24 Ca 0.36 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.86 1wr1 h ASP 24 Cb 0.09 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1wr1 h ASP 24 CO -0.15 0.34 0.01 0.78 -2.88 0.00 0.00 179.24 177.34 1wr1 h ASN 25 N 0.71 0.04 -0.05 2.28 2.35 -1.63 -2.68 115.58 116.60 1wr1 h ASN 25 Ca 0.37 -0.23 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1wr1 h ASN 25 Cb 0.35 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1wr1 h ASN 25 CO -0.25 0.26 -0.29 0.58 -1.65 0.00 0.00 177.43 176.08 1wr1 h VAL 26 N -0.18 0.34 -0.75 2.81 2.07 -0.79 -1.51 116.25 118.23 1wr1 h VAL 26 Ca 0.01 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.70 1wr1 h VAL 26 Cb 0.24 0.34 -0.13 0.00 -1.52 0.00 0.00 31.29 30.22 1wr1 h VAL 26 CO 0.00 0.00 0.04 0.11 0.02 0.00 0.00 177.57 177.74 1wr1 h LYS 27 N -0.41 0.12 0.00 1.57 1.57 -1.33 -0.03 116.57 118.07 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 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1wr1 h LYS 27 CO -0.29 0.08 0.00 0.45 -0.57 0.00 0.00 179.45 179.13 1wr1 n SER 28 N -5.31 0.41 -0.00 0.86 2.88 -0.62 -2.65 113.62 109.18 1wr1 n SER 28 Ca 0.14 0.63 -0.11 0.00 -1.33 0.00 0.00 58.87 58.20 1wr1 n SER 28 Cb 0.48 -0.70 -0.14 0.00 -0.75 0.00 0.00 64.21 63.10 1wr1 n SER 28 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1wr1 h LYS 29 N 0.00 0.05 -0.82 -1.46 1.79 -0.42 -3.30 116.57 112.41 1wr1 h LYS 29 Ca 0.00 -0.09 0.12 0.00 -2.18 0.00 0.00 60.65 58.50 1wr1 h LYS 29 Cb 0.21 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.84 1wr1 h LYS 29 CO 0.00 0.68 0.53 0.82 -1.08 0.00 0.00 179.45 180.41 1wr1 h ILE 30 N 0.01 0.87 0.00 1.86 5.03 -1.47 -1.59 117.51 122.23 1wr1 h ILE 30 Ca -0.27 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 1wr1 h ILE 30 Cb 1.99 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 35.95 1wr1 h ILE 30 CO 0.09 0.12 0.00 -0.61 -0.68 0.00 0.00 178.15 177.07 1wr1 h GLN 31 N 0.65 0.00 0.00 2.37 4.15 -1.64 0.00 115.11 120.64 1wr1 h GLN 31 Ca 0.40 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.76 1wr1 h GLN 31 Cb 0.63 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1wr1 h GLN 31 CO -0.16 0.00 -0.25 0.22 -1.93 0.00 0.00 178.83 176.71 1wr1 h ASP 32 N 0.00 0.00 0.00 -0.69 3.58 -1.46 -3.12 116.42 114.73 1wr1 h ASP 32 Ca 0.00 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.04 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 0.25 -2.45 0.29 -2.88 0.00 0.00 179.24 174.45 1wr1 n LYS 33 N -3.17 0.59 0.00 0.28 4.76 -0.09 -4.82 118.16 115.71 1wr1 n LYS 33 Ca 0.03 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 1wr1 n LYS 33 Cb 0.63 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 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 -3.75 3.23 -0.28 1.97 -0.58 -0.73 -5.06 120.64 115.44 1wr1 n GLU 34 Ca -0.48 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.26 1wr1 n GLU 34 Cb 0.91 -0.49 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 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 0.81 0.78 3.66 0.62 0.00 -1.18 -5.00 105.19 104.87 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 -2.22 3.40 0.07 -0.61 1.01 -1.26 -4.81 121.20 116.78 1wr1 s ILE 36 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.82 1wr1 s ILE 36 Cb 0.00 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 1wr1 s ILE 36 CO 0.00 -0.06 1.41 -2.16 0.00 0.00 0.00 174.94 174.13 1wr1 s PRO 37 N 4.31 4.30 0.00 2.79 0.04 -1.26 -3.92 135.00 141.26 1wr1 s PRO 37 Ca 0.79 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.94 1wr1 s PRO 37 Cb -0.35 -3.40 0.32 0.00 0.04 0.00 0.00 34.50 31.11 1wr1 s PRO 37 CO 0.33 -0.50 1.17 -0.35 0.04 0.00 0.00 177.00 177.69 1wr1 n PRO 38 N 4.59 0.04 0.03 0.56 -0.04 -1.26 -1.51 135.00 137.41 1wr1 n PRO 38 Ca 0.12 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1wr1 n PRO 38 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.41 0.63 -0.03 3.54 2.03 -1.26 -4.25 116.55 115.79 1wr1 n ASP 39 Ca 0.02 -0.14 -0.06 0.00 0.52 0.00 0.00 54.79 55.13 1wr1 n ASP 39 Cb 0.07 0.68 -0.13 0.00 -0.72 0.00 0.00 41.12 41.01 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 -2.00 0.65 -3.38 -0.67 3.00 -0.57 -4.98 117.38 109.43 1wr1 n GLN 40 Ca 0.02 0.15 -0.28 0.00 -0.01 0.00 0.00 57.00 56.88 1wr1 n GLN 40 Cb 0.44 -1.69 -0.03 0.00 0.00 0.00 0.00 30.24 28.95 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 -2.70 3.62 0.22 -1.09 -2.07 -1.14 -0.95 119.66 115.54 1wr1 s GLN 41 Ca -0.06 -0.04 0.08 0.00 -1.82 0.00 0.00 55.36 53.52 1wr1 s GLN 41 Cb 0.08 -2.67 -0.05 0.00 -1.09 0.00 0.00 33.01 29.28 1wr1 s GLN 41 CO 0.83 0.24 -0.14 1.03 -1.32 0.00 0.00 175.29 175.92 1wr1 s ARG 42 N -3.52 1.37 0.16 9.60 0.52 0.51 -4.94 118.95 122.66 1wr1 s ARG 42 Ca 0.43 -1.62 0.10 0.00 -0.52 0.00 0.00 55.73 54.13 1wr1 s ARG 42 Cb -0.11 -1.17 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 1wr1 s ARG 42 CO 0.30 0.19 -0.22 -0.51 0.02 0.00 0.00 175.30 175.07 1wr1 s LEU 43 N -3.34 2.52 -0.05 2.53 1.43 -1.26 -0.82 118.68 119.69 1wr1 s LEU 43 Ca 0.24 -0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1wr1 s LEU 43 Cb -0.01 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.92 1wr1 s LEU 43 CO 0.08 0.15 -0.01 -0.63 0.23 0.00 0.00 176.35 176.16 1wr1 s ILE 44 N -1.38 0.36 -0.00 -0.59 -1.09 -0.69 -1.53 121.20 116.28 1wr1 s ILE 44 Ca 0.19 0.04 -0.12 0.00 -2.23 0.00 0.00 60.65 58.53 1wr1 s ILE 44 Cb -0.09 -0.46 0.01 0.00 -1.58 0.00 0.00 42.46 40.34 1wr1 s ILE 44 CO 0.09 0.22 0.24 0.12 -1.23 0.00 0.00 174.94 174.37 1wr1 s PHE 45 N 1.37 -0.08 -1.10 3.97 5.36 -0.83 -2.69 117.98 123.98 1wr1 s PHE 45 Ca -0.04 0.07 -0.08 0.00 -0.96 0.00 0.00 56.93 55.91 1wr1 s PHE 45 Cb -0.13 0.03 0.07 0.00 -0.34 0.00 0.00 43.02 42.65 1wr1 s PHE 45 CO -0.02 -0.36 0.35 0.00 -1.46 0.00 0.00 175.22 173.73 1wr1 n ALA 46 N 1.29 -1.03 -2.83 11.12 0.00 -1.26 -0.84 120.51 126.95 1wr1 n ALA 46 Ca -0.22 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1wr1 n ALA 46 Cb 0.56 -2.18 0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.99 -0.39 3.13 0.00 0.00 -1.26 -5.03 105.19 100.64 1wr1 n GLY 47 Ca -0.01 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.46 1.20 -0.50 1.61 2.47 -0.02 -5.12 119.74 113.91 1wr1 s LYS 48 Ca 0.22 -0.56 -0.27 0.00 -1.56 0.00 0.00 55.97 53.80 1wr1 s LYS 48 Cb -0.10 -1.16 0.03 0.00 -1.46 0.00 0.00 37.83 35.14 1wr1 s LYS 48 CO 0.28 0.32 1.07 -1.14 0.16 0.00 0.00 175.35 176.03 1wr1 s GLN 49 N -0.44 3.58 0.10 4.03 -0.44 -1.26 -1.97 119.66 123.26 1wr1 s GLN 49 Ca 0.05 0.28 -0.31 0.00 -2.50 0.00 0.00 55.36 52.89 1wr1 s GLN 49 Cb -0.06 -3.95 -0.07 0.00 -1.64 0.00 0.00 33.01 27.29 1wr1 s GLN 49 CO -0.00 -1.42 1.26 -0.51 0.50 0.00 0.00 175.29 175.13 1wr1 s LEU 50 N 4.31 4.38 0.19 3.68 1.43 -0.58 -5.02 118.68 127.07 1wr1 s LEU 50 Ca 0.42 2.16 -0.19 0.00 -1.03 0.00 0.00 54.13 55.48 1wr1 s LEU 50 Cb -0.09 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.47 1wr1 s LEU 50 CO 0.27 -0.52 0.68 -0.70 0.23 0.00 0.00 176.35 176.32 1wr1 s GLU 51 N 0.88 4.23 0.25 1.70 2.12 -1.26 -4.55 118.70 122.08 1wr1 s GLU 51 Ca 0.60 0.82 -0.04 0.00 0.36 0.00 0.00 54.97 56.71 1wr1 s GLU 51 Cb -0.32 -2.96 0.35 0.00 0.26 0.00 0.00 34.13 31.46 1wr1 s GLU 51 CO 0.31 0.45 1.88 -0.44 -0.54 0.00 0.00 175.26 176.92 1wr1 h ASP 52 N 3.63 1.01 0.36 -1.70 3.32 -1.95 -2.51 116.42 118.58 1wr1 h ASP 52 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1wr1 h ASP 52 Cb 1.20 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1wr1 h ASP 52 CO 0.65 0.67 0.00 0.61 -1.72 0.00 0.00 179.24 179.45 1wr1 n GLY 53 N -1.36 -1.17 3.87 2.75 0.00 -1.26 -2.23 105.19 105.78 1wr1 n GLY 53 Ca 0.14 -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 -2.37 2.44 0.44 1.61 1.81 -0.95 -4.89 118.95 117.04 1wr1 s ARG 54 Ca 0.35 0.42 0.08 0.00 -1.72 0.00 0.00 55.73 54.86 1wr1 s ARG 54 Cb 0.21 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 1wr1 s ARG 54 CO 0.42 -1.32 0.50 0.95 -0.68 0.00 0.00 175.30 175.17 1wr1 s THR 55 N -3.36 2.73 0.15 0.02 -4.23 -1.26 -0.99 115.64 108.70 1wr1 s THR 55 Ca 0.60 -1.17 -0.17 0.00 -1.18 0.00 0.00 61.69 59.77 1wr1 s THR 55 Cb -0.12 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1wr1 s THR 55 CO 0.52 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.33 1wr1 h LEU 56 N 0.78 0.39 -2.28 4.79 -0.00 -1.50 -2.95 115.31 114.54 1wr1 h LEU 56 Ca -0.40 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.49 1wr1 h LEU 56 Cb 1.28 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1wr1 h LEU 56 CO 0.51 0.28 0.07 0.77 -0.00 0.00 0.00 178.44 180.07 1wr1 h SER 57 N 0.46 0.00 -0.63 -0.43 4.64 -1.62 -1.93 113.55 114.04 1wr1 h SER 57 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1wr1 h SER 57 Cb -0.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 1wr1 h SER 57 CO -0.03 0.00 0.41 -0.78 -0.87 0.00 0.00 176.83 175.56 1wr1 h ASP 58 N 0.00 0.74 -0.62 4.97 3.58 -1.81 -1.97 116.42 121.31 1wr1 h ASP 58 Ca 0.03 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1wr1 h ASP 58 Cb 0.17 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1wr1 h ASP 58 CO -0.00 0.55 0.00 -1.22 -2.88 0.00 0.00 179.24 175.69 1wr1 n TYR 59 N -4.43 1.40 -2.15 0.28 4.01 -0.97 -4.95 117.16 110.36 1wr1 n TYR 59 Ca 0.06 -0.62 -0.18 0.00 -0.16 0.00 0.00 57.90 57.00 1wr1 n TYR 59 Cb 0.05 -0.23 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.02 -5.12 -4.66 7.72 3.02 -0.74 -4.94 115.26 111.56 1wr1 n ASN 60 Ca 0.25 0.17 -0.48 0.00 -0.03 0.00 0.00 54.58 54.49 1wr1 n ASN 60 Cb 0.87 -4.37 -0.05 0.00 -0.61 0.00 0.00 39.78 35.62 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 -3.32 0.14 -3.17 2.41 2.08 -0.76 -4.97 119.36 111.76 1wr1 n ILE 61 Ca -0.20 -0.02 -0.19 0.00 0.56 0.00 0.00 62.75 62.89 1wr1 n ILE 61 Cb 0.64 -1.47 0.01 0.00 -0.75 0.00 0.00 39.64 38.08 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 1.63 2.61 0.64 0.38 -1.52 -1.26 -4.61 119.66 117.53 1wr1 s GLN 62 Ca 0.84 -1.44 -0.18 0.00 -1.95 0.00 0.00 55.36 52.62 1wr1 s GLN 62 Cb -0.75 -2.62 -0.02 0.00 -0.22 0.00 0.00 33.01 29.40 1wr1 s GLN 62 CO 0.44 -0.42 1.27 -1.59 -0.25 0.00 0.00 175.29 174.73 1wr1 s LYS 63 N -4.38 2.64 -1.46 2.91 0.00 -1.26 -2.96 119.74 115.23 1wr1 s LYS 63 Ca 0.54 2.00 0.00 0.00 0.00 0.00 0.00 55.97 58.52 1wr1 s LYS 63 Cb -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 37.83 35.89 1wr1 s LYS 63 CO 0.33 -1.51 0.00 0.39 0.00 0.00 0.00 175.35 174.56 1wr1 n GLU 64 N -1.85 -1.56 -1.79 1.78 1.02 0.46 -4.97 120.64 113.73 1wr1 n GLU 64 Ca 0.15 0.81 -0.37 0.00 -0.02 0.00 0.00 57.16 57.73 1wr1 n GLU 64 Cb 0.48 -5.19 0.05 0.00 -0.02 0.00 0.00 31.44 26.77 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 -2.17 4.91 -0.70 1.62 0.01 -1.16 -4.73 113.70 111.49 1wr1 s SER 65 Ca 0.00 2.65 0.02 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 63.78 1wr1 s SER 65 CO 0.00 -1.80 0.51 0.42 0.41 0.00 0.00 173.24 172.78 1wr1 s THR 66 N -1.38 3.36 0.73 1.44 -4.23 -1.26 -0.46 115.64 113.84 1wr1 s THR 66 Ca 0.78 -3.74 -0.02 0.00 -1.18 0.00 0.00 61.69 57.53 1wr1 s THR 66 Cb -0.38 -3.18 0.12 0.00 1.34 0.00 0.00 72.50 70.40 1wr1 s THR 66 CO 0.42 -0.96 1.01 -0.76 -0.54 0.00 0.00 174.62 173.79 1wr1 s LEU 67 N -0.94 2.96 0.15 4.79 2.01 -0.14 -4.95 118.68 122.56 1wr1 s LEU 67 Ca 0.22 -0.24 0.08 0.00 0.01 0.00 0.00 54.13 54.21 1wr1 s LEU 67 Cb -0.13 -2.13 -0.04 0.00 0.01 0.00 0.00 46.19 43.90 1wr1 s LEU 67 CO -0.10 -1.89 -0.18 -1.00 1.01 0.00 0.00 176.35 174.20 1wr1 s HIS 68 N -3.20 1.73 0.10 0.29 3.76 -1.09 -0.64 115.29 116.25 1wr1 s HIS 68 Ca 0.66 -0.48 0.10 0.00 -0.15 0.00 0.00 55.06 55.19 1wr1 s HIS 68 Cb -0.06 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.72 1wr1 s HIS 68 CO 0.45 0.28 -0.26 -0.48 -0.85 0.00 0.00 174.74 173.88 1wr1 s LEU 69 N -2.58 2.31 -0.19 0.89 2.34 -0.48 -1.71 118.68 119.26 1wr1 s LEU 69 Ca 0.14 -0.67 -0.02 0.00 0.06 0.00 0.00 54.13 53.64 1wr1 s LEU 69 Cb -0.06 -1.28 0.06 0.00 -0.56 0.00 0.00 46.19 44.35 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 -0.98 0.81 0.03 1.48 1.01 -0.00 -3.66 120.40 119.08 1wr1 s VAL 70 Ca 0.14 -0.68 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1wr1 s VAL 70 Cb -0.10 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1wr1 s VAL 70 CO 0.05 -0.12 0.84 -0.76 0.00 0.00 0.00 175.10 175.11 1wr1 s LEU 71 N 1.73 4.42 0.02 3.92 2.01 -1.26 -0.36 118.68 129.16 1wr1 s LEU 71 Ca -0.02 1.52 0.18 0.00 0.01 0.00 0.00 54.13 55.82 1wr1 s LEU 71 Cb -0.17 -3.35 0.77 0.00 0.01 0.00 0.00 46.19 43.44 1wr1 s LEU 71 CO -0.07 -0.09 1.58 -2.11 1.01 0.00 0.00 176.35 176.66 1wr1 n ARG 72 N 3.24 0.02 -4.30 1.70 1.85 -0.13 -4.87 116.66 114.18 1wr1 n ARG 72 Ca 0.01 0.22 -0.17 0.00 -1.00 0.00 0.00 57.85 56.90 1wr1 n ARG 72 Cb 0.50 -1.53 -0.09 0.00 -1.05 0.00 0.00 32.46 30.29 1wr1 n ARG 72 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 1wr1 s LEU 73 N -3.14 1.58 0.34 2.89 2.34 -1.26 -5.07 118.68 116.36 1wr1 s LEU 73 Ca 0.08 -1.54 0.23 0.00 0.06 0.00 0.00 54.13 52.96 1wr1 s LEU 73 Cb 0.11 0.27 1.23 0.00 -0.56 0.00 0.00 46.19 47.24 1wr1 s LEU 73 CO 0.33 -0.89 1.72 0.08 -1.06 0.00 0.00 176.35 176.52 1wr1 h ARG 74 N 2.29 0.00 0.00 1.48 0.11 -2.02 -3.45 114.38 112.80 1wr1 h ARG 74 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1wr1 h ARG 74 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1wr1 h ARG 74 CO 0.51 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.99 1wr1 n GLY 75 N -1.08 1.20 3.26 0.08 0.00 -1.26 -5.18 105.19 102.21 1wr1 n GLY 75 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93