#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 1.25 0.22 2.12 -2.07 -1.26 -2.57 119.66 117.34 1wr1 s GLN 2 Ca 0.00 -1.61 -0.07 0.00 -1.82 0.00 0.00 55.36 51.85 1wr1 s GLN 2 Cb 0.00 -0.51 -0.02 0.00 -1.09 0.00 0.00 33.01 31.39 1wr1 s GLN 2 CO 0.00 -0.09 0.30 0.96 -1.32 0.00 0.00 175.29 175.14 1wr1 s ILE 3 N -3.48 0.01 0.07 3.63 -5.25 -0.47 -0.16 121.20 115.56 1wr1 s ILE 3 Ca 0.26 -1.66 0.06 0.00 -0.99 0.00 0.00 60.65 58.32 1wr1 s ILE 3 Cb 0.05 -2.28 -0.03 0.00 2.95 0.00 0.00 42.46 43.15 1wr1 s ILE 3 CO 0.07 -0.05 -0.17 -0.36 -1.79 0.00 0.00 174.94 172.64 1wr1 s PHE 4 N -4.07 1.50 -0.04 1.37 0.40 0.32 -0.57 117.98 116.89 1wr1 s PHE 4 Ca 0.29 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 1wr1 s PHE 4 Cb 0.03 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.73 1wr1 s PHE 4 CO 0.09 0.11 -0.02 0.08 0.70 0.00 0.00 175.22 176.18 1wr1 s VAL 5 N -1.10 0.40 -0.16 -0.44 1.01 -0.24 -1.14 120.40 118.74 1wr1 s VAL 5 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1wr1 s VAL 5 Cb -0.09 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1wr1 s VAL 5 CO 0.03 0.20 -0.19 -0.75 0.00 0.00 0.00 175.10 174.39 1wr1 s LYS 6 N 1.08 3.08 0.99 2.72 2.36 0.21 -0.17 119.74 130.01 1wr1 s LYS 6 Ca -0.09 -0.81 -0.12 0.00 -2.55 0.00 0.00 55.97 52.40 1wr1 s LYS 6 Cb -0.14 -2.54 0.18 0.00 -1.05 0.00 0.00 37.83 34.29 1wr1 s LYS 6 CO -0.01 -0.06 1.08 0.95 1.55 0.00 0.00 175.35 178.86 1wr1 s THR 7 N 0.95 2.28 0.28 3.43 -4.23 -0.10 -1.39 115.64 116.86 1wr1 s THR 7 Ca -0.03 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1wr1 s THR 7 Cb -0.15 -2.47 0.06 0.00 1.34 0.00 0.00 72.50 71.28 1wr1 s THR 7 CO -0.04 -0.12 1.71 -0.07 -0.54 0.00 0.00 174.62 175.56 1wr1 h LEU 8 N -1.91 0.43 -0.57 4.79 3.38 -1.91 -3.24 115.31 116.28 1wr1 h LEU 8 Ca -0.53 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.17 1wr1 h LEU 8 Cb 1.31 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1wr1 h LEU 8 CO 0.54 0.72 -0.08 0.74 0.09 0.00 0.00 178.44 180.45 1wr1 h THR 9 N 0.37 1.27 0.00 0.22 2.02 -1.95 -3.47 112.91 111.37 1wr1 h THR 9 Ca 0.05 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1wr1 h THR 9 Cb 0.72 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1wr1 h THR 9 CO 0.05 0.44 0.00 0.61 0.37 0.00 0.00 175.52 177.00 1wr1 n GLY 10 N -0.31 -0.12 3.71 2.16 0.00 -1.22 -5.14 105.19 104.28 1wr1 n GLY 10 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.31 1.61 2.47 -1.26 -4.85 119.74 121.93 1wr1 s LYS 11 Ca 0.00 1.27 -0.07 0.00 -1.56 0.00 0.00 55.97 55.61 1wr1 s LYS 11 Cb 0.00 -3.45 0.02 0.00 -1.46 0.00 0.00 37.83 32.94 1wr1 s LYS 11 CO 0.00 0.01 0.09 0.99 0.16 0.00 0.00 175.35 176.60 1wr1 s THR 12 N 0.83 3.95 0.46 3.43 2.01 -1.26 -0.92 115.64 124.13 1wr1 s THR 12 Ca 0.47 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1wr1 s THR 12 Cb -0.20 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.16 1wr1 s THR 12 CO 0.25 0.01 0.84 -0.63 -0.69 0.00 0.00 174.62 174.40 1wr1 s ILE 13 N 1.48 4.75 -0.03 1.82 -1.09 0.77 -4.93 121.20 123.97 1wr1 s ILE 13 Ca 0.02 0.68 0.02 0.00 -2.23 0.00 0.00 60.65 59.14 1wr1 s ILE 13 Cb -0.18 -3.77 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1wr1 s ILE 13 CO 0.03 -0.68 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.10 1wr1 s THR 14 N -2.57 0.65 0.12 2.92 2.01 -1.26 -1.08 115.64 116.43 1wr1 s THR 14 Ca 0.52 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1wr1 s THR 14 Cb -0.10 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1wr1 s THR 14 CO 0.36 0.22 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.65 1wr1 s LEU 15 N 0.30 2.48 -0.44 4.42 1.43 0.27 -4.99 118.68 122.14 1wr1 s LEU 15 Ca -0.04 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 1wr1 s LEU 15 Cb -0.09 -0.29 0.12 0.00 0.03 0.00 0.00 46.19 45.96 1wr1 s LEU 15 CO 0.00 -0.32 0.22 -0.70 0.23 0.00 0.00 176.35 175.78 1wr1 s GLU 16 N -3.37 1.98 0.42 1.70 2.12 -1.26 -1.36 118.70 118.92 1wr1 s GLU 16 Ca 0.11 -2.04 0.04 0.00 0.36 0.00 0.00 54.97 53.44 1wr1 s GLU 16 Cb 0.01 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1wr1 s GLU 16 CO -0.00 -1.06 0.11 0.14 -0.54 0.00 0.00 175.26 173.90 1wr1 s VAL 17 N 0.73 0.69 0.27 3.70 -7.23 -1.06 -4.98 120.40 112.51 1wr1 s VAL 17 Ca 0.11 -2.00 0.12 0.00 -1.81 0.00 0.00 61.98 58.40 1wr1 s VAL 17 Cb -0.22 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1wr1 s VAL 17 CO -0.05 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.95 1wr1 s GLU 18 N -3.73 1.71 0.45 4.82 0.41 -1.26 -3.24 118.70 117.85 1wr1 s GLU 18 Ca 0.22 -1.71 0.26 0.00 -0.41 0.00 0.00 54.97 53.34 1wr1 s GLU 18 Cb 0.03 -1.81 1.43 0.00 -1.78 0.00 0.00 34.13 31.99 1wr1 s GLU 18 CO 0.13 0.34 1.79 0.66 -0.49 0.00 0.00 175.26 177.69 1wr1 h SER 19 N 2.36 0.00 0.37 -0.19 4.64 -1.97 -0.73 113.55 118.03 1wr1 h SER 19 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 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 0.58 0.00 -0.57 -1.54 -0.87 0.00 0.00 176.83 174.43 1wr1 n SER 20 N -2.49 0.68 -4.76 4.97 3.41 -1.26 -0.96 113.62 113.22 1wr1 n SER 20 Ca -0.02 -0.49 -0.39 0.00 -0.26 0.00 0.00 58.87 57.72 1wr1 n SER 20 Cb 0.14 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1wr1 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1wr1 s ASP 21 N -2.94 6.05 0.68 4.04 1.01 -0.28 -4.84 116.67 120.39 1wr1 s ASP 21 Ca 0.12 2.62 -0.11 0.00 0.71 0.00 0.00 52.55 55.89 1wr1 s ASP 21 Cb 0.17 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 1wr1 s ASP 21 CO 0.71 -1.03 1.05 0.42 0.21 0.00 0.00 175.17 176.54 1wr1 s THR 22 N -1.32 4.16 0.20 -1.27 -4.23 -1.26 -2.08 115.64 109.85 1wr1 s THR 22 Ca 0.61 0.70 -0.10 0.00 -1.18 0.00 0.00 61.69 61.73 1wr1 s THR 22 Cb -0.37 -3.56 0.13 0.00 1.34 0.00 0.00 72.50 70.04 1wr1 s THR 22 CO 0.46 -0.92 1.80 0.40 -0.54 0.00 0.00 174.62 175.82 1wr1 h ILE 23 N -0.59 0.95 -0.80 2.99 1.08 -1.02 -1.17 117.51 118.95 1wr1 h ILE 23 Ca -0.44 -0.22 0.15 0.00 -0.39 0.00 0.00 64.86 63.96 1wr1 h ILE 23 Cb 1.21 0.27 -0.09 0.00 -3.07 0.00 0.00 36.82 35.13 1wr1 h ILE 23 CO 0.60 0.12 0.37 -0.78 -0.69 0.00 0.00 178.15 177.76 1wr1 h ASP 24 N 0.63 0.41 -0.01 1.72 3.58 -1.63 -1.12 116.42 120.00 1wr1 h ASP 24 Ca 0.28 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.83 1wr1 h ASP 24 Cb 0.19 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.28 1wr1 h ASP 24 CO -0.18 0.16 0.00 0.78 -2.88 0.00 0.00 179.24 177.12 1wr1 h ASN 25 N 0.53 0.01 0.32 2.28 2.35 -1.70 -2.81 115.58 116.56 1wr1 h ASN 25 Ca 0.44 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1wr1 h ASN 25 Cb 0.65 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1wr1 h ASN 25 CO -0.38 0.23 -0.28 0.58 -1.65 0.00 0.00 177.43 175.93 1wr1 h VAL 26 N -0.22 0.42 -0.38 2.81 2.07 -0.46 -1.96 116.25 118.54 1wr1 h VAL 26 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1wr1 h VAL 26 Cb 0.23 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1wr1 h VAL 26 CO 0.00 0.00 0.25 0.07 0.02 0.00 0.00 177.57 177.91 1wr1 h LYS 27 N -0.61 0.31 0.00 1.57 2.10 -1.34 -0.26 116.57 118.33 1wr1 h LYS 27 Ca -0.02 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1wr1 h LYS 27 Cb 0.54 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1wr1 h LYS 27 CO -0.03 0.20 -0.09 1.03 -2.00 0.00 0.00 179.45 178.56 1wr1 h SER 28 N 0.32 0.00 0.97 7.07 0.87 -1.12 -3.16 113.55 118.50 1wr1 h SER 28 Ca 0.16 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.51 1wr1 h SER 28 Cb 0.24 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1wr1 h SER 28 CO -0.03 0.09 -1.05 0.11 -0.53 0.00 0.00 176.83 175.42 1wr1 h LYS 29 N 0.00 0.00 -0.84 2.24 1.79 -0.32 -3.15 116.57 116.29 1wr1 h LYS 29 Ca -0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 1wr1 h LYS 29 Cb 0.39 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.98 1wr1 h LYS 29 CO 0.01 0.92 0.54 0.82 -1.08 0.00 0.00 179.45 180.67 1wr1 h ILE 30 N 0.00 0.91 0.00 1.86 5.03 -1.53 -1.75 117.51 122.02 1wr1 h ILE 30 Ca -0.04 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1wr1 h ILE 30 Cb 1.78 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 35.68 1wr1 h ILE 30 CO 0.12 0.13 0.00 -0.61 -0.68 0.00 0.00 178.15 177.11 1wr1 h GLN 31 N 0.72 0.00 0.00 2.37 4.15 -1.67 -0.26 115.11 120.42 1wr1 h GLN 31 Ca 0.40 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.76 1wr1 h GLN 31 Cb 0.55 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1wr1 h GLN 31 CO -0.17 0.00 -0.29 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 -1.46 -3.13 116.42 114.73 1wr1 h ASP 32 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 1wr1 h ASP 32 Cb 0.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 1wr1 h ASP 32 CO 0.00 0.29 -2.10 0.29 -2.88 0.00 0.00 179.24 174.84 1wr1 n LYS 33 N -3.27 0.59 0.00 0.28 4.76 -0.17 -4.85 118.16 115.50 1wr1 n LYS 33 Ca 0.02 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1wr1 n LYS 33 Cb 0.57 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 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 -4.24 3.77 0.00 1.97 -0.58 -0.81 -5.07 120.64 115.68 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 0.83 -0.57 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 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 0.71 0.85 3.65 0.62 0.00 -1.18 -5.01 105.19 104.83 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 -2.00 3.43 0.02 -0.61 1.01 -1.26 -4.79 121.20 116.99 1wr1 s ILE 36 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 1wr1 s ILE 36 Cb 0.00 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 39.04 1wr1 s ILE 36 CO 0.00 -0.09 1.47 -2.16 0.00 0.00 0.00 174.94 174.15 1wr1 s PRO 37 N 4.47 4.26 0.18 2.79 0.04 -1.26 -3.97 135.00 141.52 1wr1 s PRO 37 Ca 0.79 2.06 0.18 0.00 0.04 0.00 0.00 61.00 64.07 1wr1 s PRO 37 Cb -0.34 -3.57 0.81 0.00 0.04 0.00 0.00 34.50 31.44 1wr1 s PRO 37 CO 0.33 -0.61 1.54 -0.35 0.04 0.00 0.00 177.00 177.94 1wr1 n PRO 38 N 5.38 0.11 0.21 0.56 -0.04 -1.26 -1.32 135.00 138.64 1wr1 n PRO 38 Ca 0.14 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 64.16 1wr1 n PRO 38 Cb 0.43 -1.76 0.17 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.95 -3.37 116.42 117.96 1wr1 h ASP 39 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1wr1 h ASP 39 Cb 0.19 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 1wr1 h ASP 39 CO 0.00 0.07 -2.11 0.00 -1.72 0.00 0.00 179.24 175.48 1wr1 n GLN 40 N -3.12 1.15 -2.54 3.56 6.02 -0.44 -5.00 117.38 117.02 1wr1 n GLN 40 Ca 0.04 0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.77 1wr1 n GLN 40 Cb 0.55 -1.41 -0.01 0.00 1.02 0.00 0.00 30.24 30.39 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 -2.39 3.62 0.19 -1.09 -2.07 -0.93 -1.05 119.66 115.94 1wr1 s GLN 41 Ca -0.13 0.39 0.03 0.00 -1.82 0.00 0.00 55.36 53.82 1wr1 s GLN 41 Cb 0.05 -2.32 -0.05 0.00 -1.09 0.00 0.00 33.01 29.61 1wr1 s GLN 41 CO 0.60 -0.23 -0.01 1.03 -1.32 0.00 0.00 175.29 175.36 1wr1 s ARG 42 N -4.58 1.18 0.16 9.60 0.52 0.42 -4.88 118.95 121.37 1wr1 s ARG 42 Ca 0.50 -1.57 0.11 0.00 -0.52 0.00 0.00 55.73 54.24 1wr1 s ARG 42 Cb -0.10 -0.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.92 1wr1 s ARG 42 CO 0.43 -0.10 -0.23 -0.51 0.02 0.00 0.00 175.30 174.90 1wr1 s LEU 43 N -3.22 2.48 -0.04 2.53 1.43 -1.26 -0.98 118.68 119.62 1wr1 s LEU 43 Ca 0.25 -0.76 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1wr1 s LEU 43 Cb 0.06 -1.28 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1wr1 s LEU 43 CO 0.05 0.15 -0.07 -0.63 0.23 0.00 0.00 176.35 176.08 1wr1 s ILE 44 N -1.37 0.69 -0.02 -0.59 -1.09 -0.56 -1.14 121.20 117.12 1wr1 s ILE 44 Ca 0.18 -0.26 -0.16 0.00 -2.23 0.00 0.00 60.65 58.18 1wr1 s ILE 44 Cb -0.09 -0.65 0.03 0.00 -1.58 0.00 0.00 42.46 40.16 1wr1 s ILE 44 CO 0.09 0.24 0.34 0.12 -1.23 0.00 0.00 174.94 174.49 1wr1 s PHE 45 N 0.52 -0.22 -0.82 3.97 5.36 -0.92 -2.95 117.98 122.93 1wr1 s PHE 45 Ca -0.08 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1wr1 s PHE 45 Cb -0.11 0.12 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 1wr1 s PHE 45 CO 0.01 -0.41 0.00 0.00 -1.46 0.00 0.00 175.22 173.36 1wr1 n ALA 46 N 1.25 -0.73 -0.46 11.12 0.00 -1.26 -0.85 120.51 129.57 1wr1 n ALA 46 Ca -0.21 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wr1 n ALA 46 Cb 0.56 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.12 3.76 0.00 0.00 -1.26 -5.01 105.19 103.15 1wr1 n GLY 47 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.23 4.42 -0.33 1.61 2.47 -0.03 -5.04 119.74 122.61 1wr1 s LYS 48 Ca 0.00 0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 55.07 1wr1 s LYS 48 Cb 0.00 -3.33 -0.00 0.00 -1.46 0.00 0.00 37.83 33.04 1wr1 s LYS 48 CO 0.00 0.40 1.49 -1.14 0.16 0.00 0.00 175.35 176.25 1wr1 s GLN 49 N -0.40 3.67 -0.01 4.03 0.74 -1.26 -2.16 119.66 124.27 1wr1 s GLN 49 Ca 0.35 1.24 -0.30 0.00 0.05 0.00 0.00 55.36 56.70 1wr1 s GLN 49 Cb -0.20 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 29.85 1wr1 s GLN 49 CO 0.21 -1.44 1.11 -0.51 -0.55 0.00 0.00 175.29 174.12 1wr1 s LEU 50 N 5.33 4.33 0.21 3.68 1.43 -0.29 -5.02 118.68 128.35 1wr1 s LEU 50 Ca 0.65 1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.35 1wr1 s LEU 50 Cb -0.18 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 1wr1 s LEU 50 CO 0.30 -0.44 0.72 -0.70 0.23 0.00 0.00 176.35 176.46 1wr1 s GLU 51 N 1.46 4.28 0.34 1.70 2.56 -1.26 -4.49 118.70 123.28 1wr1 s GLU 51 Ca 0.55 0.89 0.05 0.00 0.00 0.00 0.00 54.97 56.45 1wr1 s GLU 51 Cb -0.24 -2.95 0.68 0.00 2.00 0.00 0.00 34.13 33.62 1wr1 s GLU 51 CO 0.26 0.43 1.92 -0.44 -0.56 0.00 0.00 175.26 176.87 1wr1 h ASP 52 N 3.59 0.76 0.40 -1.70 3.32 -1.96 -2.00 116.42 118.83 1wr1 h ASP 52 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1wr1 h ASP 52 Cb 1.20 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1wr1 h ASP 52 CO 0.65 0.47 -0.05 0.61 -1.72 0.00 0.00 179.24 179.20 1wr1 n GLY 53 N -1.42 -1.08 3.83 2.75 0.00 -1.26 -1.85 105.19 106.15 1wr1 n GLY 53 Ca 0.13 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.46 1.47 0.44 1.61 1.81 -0.75 -4.89 118.95 116.18 1wr1 s ARG 54 Ca 0.31 0.24 0.07 0.00 -1.72 0.00 0.00 55.73 54.63 1wr1 s ARG 54 Cb 0.20 -1.88 -0.03 0.00 -0.45 0.00 0.00 34.95 32.79 1wr1 s ARG 54 CO 0.46 -1.97 0.24 0.95 -0.68 0.00 0.00 175.30 174.30 1wr1 s THR 55 N -3.38 2.22 0.11 0.02 -4.23 -1.26 -0.85 115.64 108.27 1wr1 s THR 55 Ca 0.63 -1.61 -0.20 0.00 -1.18 0.00 0.00 61.69 59.33 1wr1 s THR 55 Cb -0.13 -2.84 -0.08 0.00 1.34 0.00 0.00 72.50 70.79 1wr1 s THR 55 CO 0.52 0.00 1.72 -0.07 -0.54 0.00 0.00 174.62 176.25 1wr1 h LEU 56 N 1.25 0.23 -2.09 4.79 3.38 -1.44 -2.84 115.31 118.59 1wr1 h LEU 56 Ca -0.42 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.55 1wr1 h LEU 56 Cb 1.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1wr1 h LEU 56 CO 0.66 0.23 0.17 -1.28 0.09 0.00 0.00 178.44 178.31 1wr1 h SER 57 N 0.22 0.00 -0.01 -0.43 0.87 -1.29 -1.76 113.55 111.14 1wr1 h SER 57 Ca 0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1wr1 h SER 57 Cb 0.05 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1wr1 h SER 57 CO -0.01 0.00 -0.01 -0.78 -0.53 0.00 0.00 176.83 175.50 1wr1 h ASP 58 N 0.00 0.07 -0.53 6.23 3.58 -1.78 -1.63 116.42 122.37 1wr1 h ASP 58 Ca 0.10 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1wr1 h ASP 58 Cb 0.44 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1wr1 h ASP 58 CO -0.00 0.10 0.00 -1.22 -2.88 0.00 0.00 179.24 175.24 1wr1 n TYR 59 N -4.48 1.10 -2.61 0.28 4.01 -0.85 -4.96 117.16 109.64 1wr1 n TYR 59 Ca -0.02 -0.61 -0.17 0.00 -0.16 0.00 0.00 57.90 56.94 1wr1 n TYR 59 Cb 0.13 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.78 -4.64 -4.68 7.72 5.15 -0.61 -4.94 115.26 114.04 1wr1 n ASN 60 Ca 0.22 0.01 -0.45 0.00 -0.60 0.00 0.00 54.58 53.75 1wr1 n ASN 60 Cb 0.75 -3.88 -0.04 0.00 -0.53 0.00 0.00 39.78 36.08 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 -3.74 0.55 -2.58 -1.44 2.08 -0.72 -4.97 119.36 108.54 1wr1 n ILE 61 Ca -0.15 -0.10 -0.22 0.00 0.56 0.00 0.00 62.75 62.84 1wr1 n ILE 61 Cb 0.62 -2.01 0.05 0.00 -0.75 0.00 0.00 39.64 37.56 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 3.70 2.34 0.92 0.38 -1.52 -1.26 -4.55 119.66 119.67 1wr1 s GLN 62 Ca 0.89 -0.78 -0.11 0.00 -1.95 0.00 0.00 55.36 53.41 1wr1 s GLN 62 Cb -0.59 -2.42 0.15 0.00 -0.22 0.00 0.00 33.01 29.93 1wr1 s GLN 62 CO 0.46 -0.91 1.11 -1.59 -0.25 0.00 0.00 175.29 174.10 1wr1 s LYS 63 N -4.89 1.01 -0.94 2.91 0.00 -1.26 -3.49 119.74 113.08 1wr1 s LYS 63 Ca 0.59 1.26 0.00 0.00 0.00 0.00 0.00 55.97 57.82 1wr1 s LYS 63 Cb -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 37.83 35.99 1wr1 s LYS 63 CO 0.40 -2.54 0.00 0.39 0.00 0.00 0.00 175.35 173.60 1wr1 n GLU 64 N -4.14 -1.24 -1.61 1.78 1.02 0.78 -4.96 120.64 112.27 1wr1 n GLU 64 Ca 0.09 0.52 -0.34 0.00 -0.02 0.00 0.00 57.16 57.41 1wr1 n GLU 64 Cb 0.53 -4.70 0.07 0.00 -0.02 0.00 0.00 31.44 27.32 1wr1 n GLU 64 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1wr1 s SER 65 N -1.77 4.59 -0.70 1.62 1.04 -1.23 -4.74 113.70 112.52 1wr1 s SER 65 Ca 0.00 2.26 0.05 0.00 0.48 0.00 0.00 55.95 58.74 1wr1 s SER 65 Cb 0.00 -2.58 0.17 0.00 0.10 0.00 0.00 66.02 63.71 1wr1 s SER 65 CO 0.00 -1.99 0.51 0.35 0.98 0.00 0.00 173.24 173.09 1wr1 n THR 66 N -2.47 1.62 -2.29 2.02 -2.24 -1.26 -0.53 114.28 109.13 1wr1 n THR 66 Ca 0.13 -4.86 -0.26 0.00 -2.27 0.00 0.00 64.05 56.79 1wr1 n THR 66 Cb 0.51 -2.17 0.10 0.00 -2.10 0.00 0.00 70.33 66.67 1wr1 n THR 66 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1wr1 s LEU 67 N -1.50 2.88 0.14 3.22 2.01 -0.29 -4.93 118.68 120.22 1wr1 s LEU 67 Ca 0.26 0.14 0.08 0.00 0.01 0.00 0.00 54.13 54.63 1wr1 s LEU 67 Cb -0.03 -2.60 -0.04 0.00 0.01 0.00 0.00 46.19 43.53 1wr1 s LEU 67 CO -0.16 -1.87 -0.20 -1.00 1.01 0.00 0.00 176.35 174.13 1wr1 s HIS 68 N -3.31 1.83 0.06 0.29 3.76 -1.15 -0.62 115.29 116.14 1wr1 s HIS 68 Ca 0.64 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.18 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 0.46 0.29 -0.18 -0.48 -0.85 0.00 0.00 174.74 173.98 1wr1 s LEU 69 N -2.37 2.65 -0.12 0.89 2.34 -0.49 -1.50 118.68 120.09 1wr1 s LEU 69 Ca 0.12 -0.45 -0.01 0.00 0.06 0.00 0.00 54.13 53.86 1wr1 s LEU 69 Cb -0.07 -1.54 0.04 0.00 -0.56 0.00 0.00 46.19 44.05 1wr1 s LEU 69 CO 0.06 0.24 -0.03 0.54 -1.06 0.00 0.00 176.35 176.10 1wr1 s VAL 70 N -0.98 0.75 0.17 1.48 0.11 -0.16 -4.00 120.40 117.77 1wr1 s VAL 70 Ca 0.16 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.67 1wr1 s VAL 70 Cb -0.11 -0.93 -0.08 0.00 -1.53 0.00 0.00 36.38 33.73 1wr1 s VAL 70 CO 0.07 0.18 0.80 -0.76 -3.33 0.00 0.00 175.10 172.06 1wr1 s LEU 71 N 1.80 4.59 0.00 2.54 1.43 -1.26 -0.44 118.68 127.34 1wr1 s LEU 71 Ca 0.03 1.68 0.22 0.00 -1.03 0.00 0.00 54.13 55.04 1wr1 s LEU 71 Cb -0.14 -3.34 1.01 0.00 0.03 0.00 0.00 46.19 43.74 1wr1 s LEU 71 CO -0.07 0.18 1.72 -2.11 0.23 0.00 0.00 176.35 176.30 1wr1 n ARG 72 N 1.69 0.09 -2.13 1.70 1.85 -0.22 -4.89 116.66 114.75 1wr1 n ARG 72 Ca -0.05 0.10 -0.43 0.00 -1.00 0.00 0.00 57.85 56.48 1wr1 n ARG 72 Cb 0.49 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.37 1wr1 n ARG 72 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1wr1 s LEU 73 N -2.88 3.88 0.00 2.89 1.02 -1.26 -4.86 118.68 117.47 1wr1 s LEU 73 Ca 0.14 1.58 0.00 0.00 0.02 0.00 0.00 54.13 55.86 1wr1 s LEU 73 Cb 0.15 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.83 1wr1 s LEU 73 CO 0.39 -1.26 0.00 0.54 0.02 0.00 0.00 176.35 176.04 1wr1 n ARG 74 N 7.66 2.95 0.00 1.70 5.12 -1.26 -4.90 116.66 127.93 1wr1 n ARG 74 Ca 0.19 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.24 1wr1 n ARG 74 Cb 0.45 -0.23 0.47 0.00 -1.16 0.00 0.00 32.46 31.99 1wr1 n ARG 74 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wr1 n GLY 75 N 0.45 -1.28 0.00 -0.13 0.00 -1.26 -5.34 105.19 97.62 1wr1 n GLY 75 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1wr1 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93