#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4m h LEU 6 N 0.00 0.00 -0.23 -2.67 3.38 -2.01 -1.81 115.31 111.96 1w4m h LEU 6 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1w4m h LEU 6 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1w4m h LEU 6 CO 0.00 0.01 -0.78 1.23 0.09 0.00 0.00 178.44 178.99 1w4m h GLY 7 N 0.07 0.73 0.97 0.83 0.00 -2.02 -2.51 103.07 101.14 1w4m h GLY 7 Ca -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 47.33 46.25 1w4m h GLY 7 CO 0.00 0.93 0.16 0.00 0.00 0.00 0.00 176.54 177.63 1w4m h ALA 8 N 0.68 0.63 -0.24 3.60 0.00 -1.77 -1.87 119.26 120.29 1w4m h ALA 8 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1w4m h ALA 8 Cb 1.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1w4m h ALA 8 CO 0.15 0.28 0.09 1.25 0.00 0.00 0.00 179.25 181.02 1w4m h LEU 9 N 0.65 0.33 -1.01 0.00 5.85 -1.55 -2.20 115.31 117.37 1w4m h LEU 9 Ca 0.16 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.79 1w4m h LEU 9 Cb 0.26 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1w4m h LEU 9 CO -0.01 0.43 0.64 0.22 -0.34 0.00 0.00 178.44 179.38 1w4m h TYR 10 N 0.22 1.17 -0.40 1.25 3.20 -1.31 0.05 116.97 121.15 1w4m h TYR 10 Ca 0.08 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1w4m h TYR 10 Cb 0.20 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1w4m h TYR 10 CO -0.00 0.53 0.01 -0.07 -1.64 0.00 0.00 178.16 176.98 1w4m h LEU 11 N 1.08 0.60 -1.17 2.82 3.38 -1.02 -1.43 115.31 119.57 1w4m h LEU 11 Ca 0.47 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1w4m h LEU 11 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1w4m h LEU 11 CO -0.22 0.66 0.26 0.28 0.09 0.00 0.00 178.44 179.51 1w4m h SER 12 N 0.60 0.76 1.69 -0.43 0.02 -0.38 -0.92 113.55 114.89 1w4m h SER 12 Ca 0.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1w4m h SER 12 Cb 0.37 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1w4m h SER 12 CO 0.01 0.67 -0.10 0.24 -1.14 0.00 0.00 176.83 176.51 1w4m h MET 13 N 0.84 0.00 -0.00 3.45 2.86 -0.92 -2.81 114.93 118.35 1w4m h MET 13 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1w4m h MET 13 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1w4m h MET 13 CO -0.02 0.10 -0.03 1.63 1.06 0.00 0.00 176.91 179.65 1w4m n LYS 14 N -3.14 0.38 -0.05 1.72 4.76 -0.40 -2.28 118.16 119.14 1w4m n LYS 14 Ca 0.03 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1w4m n LYS 14 Cb 0.52 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.23 1w4m n LYS 14 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1w4m n ASP 15 N -1.28 -1.45 0.00 4.39 2.03 -0.89 -4.96 116.55 114.39 1w4m n ASP 15 Ca 0.13 -0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1w4m n ASP 15 Cb 0.27 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1w4m n ASP 15 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1w4m n THR 16 N -2.85 0.00 0.11 5.18 -2.24 -1.26 -4.30 114.28 108.92 1w4m n THR 16 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.83 1w4m n THR 16 Cb 0.04 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1w4m n THR 16 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1w4m h GLU 17 N 0.00 0.00 -0.05 -0.78 5.08 -1.96 -3.31 114.58 113.56 1w4m h GLU 17 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1w4m h GLU 17 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1w4m h GLU 17 CO 0.00 0.33 -0.78 0.87 -1.00 0.00 0.00 179.01 178.43 1w4m h LYS 18 N 0.00 0.34 0.00 2.33 1.79 -1.86 -3.46 116.57 115.71 1w4m h LYS 18 Ca -0.05 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.11 1w4m h LYS 18 Cb 1.37 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1w4m h LYS 18 CO 0.05 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 179.79 1w4m n GLY 19 N 0.66 0.60 1.87 3.86 0.00 -1.08 -4.83 105.19 106.27 1w4m n GLY 19 Ca -0.04 -1.85 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 1w4m n GLY 19 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1w4m n ILE 20 N -0.12 0.00 -3.07 -0.61 -5.35 -0.97 -4.90 119.36 104.35 1w4m n ILE 20 Ca 0.00 -0.26 -0.44 0.00 -0.27 0.00 0.00 62.75 61.78 1w4m n ILE 20 Cb 0.00 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 1w4m n ILE 20 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1w4m n LYS 21 N -3.29 3.88 -1.53 6.28 5.02 -1.26 -4.82 118.16 122.44 1w4m n LYS 21 Ca 0.08 -4.33 -0.42 0.00 -2.02 0.00 0.00 58.31 51.62 1w4m n LYS 21 Cb 0.31 -2.63 -0.06 0.00 -0.02 0.00 0.00 35.03 32.64 1w4m n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1w4m n GLU 22 N 2.65 1.12 -4.58 1.97 1.02 -1.26 -4.92 120.64 116.64 1w4m n GLU 22 Ca 0.28 0.19 -0.25 0.00 -0.02 0.00 0.00 57.16 57.36 1w4m n GLU 22 Cb 0.37 -2.89 -0.17 0.00 -0.02 0.00 0.00 31.44 28.73 1w4m n GLU 22 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w4m s LEU 23 N 9.66 1.64 0.58 -4.62 2.96 -1.26 -4.86 118.68 122.79 1w4m s LEU 23 Ca 1.07 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 54.48 1w4m s LEU 23 Cb -0.53 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1w4m s LEU 23 CO 0.37 0.03 1.18 0.20 -1.32 0.00 0.00 176.35 176.82 1w4m s ASN 24 N 0.69 5.31 0.00 3.68 0.01 -1.26 -0.12 114.94 123.25 1w4m s ASN 24 Ca -0.14 2.32 -0.10 0.00 -0.71 0.00 0.00 52.86 54.23 1w4m s ASN 24 Cb -0.16 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 38.92 1w4m s ASN 24 CO 0.03 -1.51 0.19 -0.22 -1.51 0.00 0.00 177.10 174.09 1w4m s LEU 25 N -4.05 1.34 -0.02 0.60 0.20 -1.08 -4.77 118.68 110.89 1w4m s LEU 25 Ca 0.76 -0.16 0.07 0.00 0.69 0.00 0.00 54.13 55.48 1w4m s LEU 25 Cb -0.28 0.88 -0.02 0.00 -0.43 0.00 0.00 46.19 46.34 1w4m s LEU 25 CO 0.32 -0.42 -0.22 -0.70 -0.29 0.00 0.00 176.35 175.03 1w4m s GLU 26 N -1.58 1.89 0.00 1.98 2.12 -1.26 -1.07 118.70 120.78 1w4m s GLU 26 Ca -0.13 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.41 1w4m s GLU 26 Cb -0.06 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.55 1w4m s GLU 26 CO 0.01 0.45 0.00 1.17 -0.54 0.00 0.00 175.26 176.35 1w4m n LYS 27 N 2.64 0.00 0.04 4.30 3.00 -0.85 -5.03 118.16 122.26 1w4m n LYS 27 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1w4m n LYS 27 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 35.45 1w4m n LYS 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1w4m n ASP 28 N -1.01 0.81 0.00 3.14 8.00 -1.26 -4.91 116.55 121.31 1w4m n ASP 28 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1w4m n ASP 28 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1w4m n ASP 28 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1w4m n LYS 29 N -3.23 1.30 -4.71 -1.24 0.00 -1.26 -5.06 118.16 103.97 1w4m n LYS 29 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 58.31 57.12 1w4m n LYS 29 Cb 0.00 -0.74 -0.14 0.00 0.00 0.00 0.00 35.03 34.15 1w4m n LYS 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1w4m s LYS 30 N -0.44 1.49 -0.42 1.64 1.02 -1.26 -5.11 119.74 116.66 1w4m s LYS 30 Ca 0.00 -0.99 0.03 0.00 0.02 0.00 0.00 55.97 55.03 1w4m s LYS 30 Cb 0.00 -1.63 0.11 0.00 -0.52 0.00 0.00 37.83 35.79 1w4m s LYS 30 CO 0.00 0.42 0.15 0.42 -0.92 0.00 0.00 175.35 175.42 1w4m s ILE 31 N -0.81 2.53 0.67 2.17 1.01 -1.26 -2.00 121.20 123.51 1w4m s ILE 31 Ca 0.09 -2.71 -0.14 0.00 0.00 0.00 0.00 60.65 57.89 1w4m s ILE 31 Cb -0.09 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1w4m s ILE 31 CO 0.02 -0.69 1.09 -0.36 0.00 0.00 0.00 174.94 174.99 1w4m s PHE 32 N 0.44 2.78 -0.16 3.97 0.08 -0.23 -4.90 117.98 119.95 1w4m s PHE 32 Ca 0.13 1.52 -0.09 0.00 0.12 0.00 0.00 56.93 58.61 1w4m s PHE 32 Cb -0.22 -3.06 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 1w4m s PHE 32 CO -0.05 -1.50 0.15 -0.80 -0.10 0.00 0.00 175.22 172.93 1w4m s ASN 33 N -2.98 6.30 -1.07 1.36 -0.87 -1.26 -2.65 114.94 113.77 1w4m s ASN 33 Ca 0.64 0.35 -0.16 0.00 -1.57 0.00 0.00 52.86 52.11 1w4m s ASN 33 Cb -0.18 -2.09 -0.02 0.00 -0.02 0.00 0.00 41.25 38.95 1w4m s ASN 33 CO 0.45 0.26 0.79 1.41 -2.57 0.00 0.00 177.10 177.44 1w4m n HIS 34 N 2.94 -2.09 -3.53 2.20 8.25 -1.24 -2.42 115.22 119.33 1w4m n HIS 34 Ca -0.17 0.59 -0.37 0.00 -0.26 0.00 0.00 57.72 57.51 1w4m n HIS 34 Cb 0.53 -3.53 -0.08 0.00 1.12 0.00 0.00 29.99 28.03 1w4m n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1w4m n PHE 36 N 4.04 -0.26 -3.78 0.00 -1.74 -1.00 -4.43 117.46 110.29 1w4m n PHE 36 Ca -0.12 -0.78 -0.24 0.00 -0.56 0.00 0.00 57.45 55.76 1w4m n PHE 36 Cb 0.52 0.09 -0.02 0.00 1.52 0.00 0.00 39.48 41.58 1w4m n PHE 36 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1w4m s THR 37 N -2.39 5.22 0.07 1.97 -4.23 -1.26 -0.97 115.64 114.05 1w4m s THR 37 Ca 0.11 -0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.73 1w4m s THR 37 Cb 0.00 -3.82 -0.10 0.00 1.34 0.00 0.00 72.50 69.93 1w4m s THR 37 CO 0.08 -0.31 1.48 1.23 -0.54 0.00 0.00 174.62 176.56 1w4m h GLY 38 N 1.40 0.44 1.99 3.99 0.00 -1.67 -2.81 103.07 106.40 1w4m h GLY 38 Ca -0.50 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1w4m h GLY 38 CO 0.64 0.32 0.01 -0.57 0.00 0.00 0.00 176.54 176.93 1w4m h ASN 39 N 0.15 0.00 -0.11 0.19 -1.24 -1.72 -2.34 115.58 110.51 1w4m h ASN 39 Ca 0.06 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.05 1w4m h ASN 39 Cb 0.46 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.51 1w4m h ASN 39 CO 0.02 0.00 -0.02 0.00 -1.29 0.00 0.00 177.43 176.13 1w4m h VAL 41 N -0.11 1.10 -0.38 0.00 2.07 -1.51 -0.89 116.25 116.54 1w4m h VAL 41 Ca 0.03 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.21 1w4m h VAL 41 Cb 0.43 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1w4m h VAL 41 CO 0.01 0.11 -0.22 0.40 0.02 0.00 0.00 177.57 177.89 1w4m h ILE 42 N 0.51 1.28 -0.37 4.57 1.08 -1.54 -0.39 117.51 122.66 1w4m h ILE 42 Ca 0.14 -1.36 -0.12 0.00 -0.39 0.00 0.00 64.86 63.12 1w4m h ILE 42 Cb -0.03 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1w4m h ILE 42 CO -0.03 0.45 -0.27 -0.78 -0.69 0.00 0.00 178.15 176.83 1w4m h ASP 43 N 0.62 0.78 0.11 1.72 3.58 -0.90 -0.92 116.42 121.41 1w4m h ASP 43 Ca 0.08 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.23 1w4m h ASP 43 Cb 0.78 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1w4m h ASP 43 CO 0.06 1.01 -0.05 -0.25 -2.88 0.00 0.00 179.24 177.13 1w4m h TRP 44 N 0.65 -0.14 -0.92 0.28 7.01 -1.11 -0.03 115.95 121.69 1w4m h TRP 44 Ca 0.08 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.14 1w4m h TRP 44 Cb 0.79 0.05 -0.06 0.00 -2.10 0.00 0.00 29.16 27.83 1w4m h TRP 44 CO 0.04 0.29 0.59 -0.07 -2.79 0.00 0.00 178.44 176.49 1w4m h LEU 45 N -0.62 0.94 -0.82 0.65 4.07 -1.08 -1.18 115.31 117.25 1w4m h LEU 45 Ca -0.02 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1w4m h LEU 45 Cb 0.49 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 1w4m h LEU 45 CO 0.03 0.61 -0.41 0.58 -1.08 0.00 0.00 178.44 178.16 1w4m h VAL 46 N 1.08 1.31 0.00 1.22 2.07 -1.15 -2.54 116.25 118.23 1w4m h VAL 46 Ca 0.39 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1w4m h VAL 46 Cb 0.14 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1w4m h VAL 46 CO -0.16 0.47 0.00 -1.28 0.02 0.00 0.00 177.57 176.62 1w4m h SER 47 N 0.31 0.00 -3.05 0.57 0.87 0.23 -3.41 113.55 109.08 1w4m h SER 47 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1w4m h SER 47 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1w4m h SER 47 CO 0.07 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 176.96 1w4m n ASN 48 N -3.08 0.00 -0.49 6.23 3.02 -0.90 -5.00 115.26 115.04 1w4m n ASN 48 Ca -0.01 -0.75 0.14 0.00 -0.03 0.00 0.00 54.58 53.93 1w4m n ASN 48 Cb 0.23 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 39.88 1w4m n ASN 48 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1w4m n GLN 49 N -0.75 1.64 0.17 3.52 7.27 -1.26 -4.20 117.38 123.77 1w4m n GLN 49 Ca 0.00 -0.99 -0.14 0.00 0.07 0.00 0.00 57.00 55.94 1w4m n GLN 49 Cb 0.00 -1.48 -0.08 0.00 2.41 0.00 0.00 30.24 31.09 1w4m n GLN 49 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1w4m h SER 50 N 2.42 -0.35 -4.84 1.69 0.87 -1.90 -3.47 113.55 107.97 1w4m h SER 50 Ca 0.00 -0.12 -0.35 0.00 -1.23 0.00 0.00 61.79 60.09 1w4m h SER 50 Cb 0.54 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.44 1w4m h SER 50 CO 0.00 -0.07 -0.59 0.68 -0.53 0.00 0.00 176.83 176.31 1w4m s VAL 51 N -5.21 0.35 0.06 2.23 -7.23 -1.17 -5.02 120.40 104.42 1w4m s VAL 51 Ca -0.15 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1w4m s VAL 51 Cb 0.03 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1w4m s VAL 51 CO 0.59 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.92 1w4m n ARG 52 N -0.47 0.00 -2.30 4.82 3.00 -1.26 -4.36 116.66 116.08 1w4m n ARG 52 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.54 1w4m n ARG 52 Cb 0.66 -0.45 -0.01 0.00 0.00 0.00 0.00 32.46 32.66 1w4m n ARG 52 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1w4m s ASN 53 N -5.48 6.39 0.40 0.55 0.01 -1.26 -4.87 114.94 110.68 1w4m s ASN 53 Ca 0.00 1.33 0.14 0.00 -0.71 0.00 0.00 52.86 53.63 1w4m s ASN 53 Cb 0.00 -2.42 0.82 0.00 0.41 0.00 0.00 41.25 40.06 1w4m s ASN 53 CO 0.00 -0.67 1.87 -0.09 -1.51 0.00 0.00 177.10 176.70 1w4m h ARG 54 N 0.37 0.00 -0.30 -0.60 2.43 -1.98 -2.60 114.38 111.71 1w4m h ARG 54 Ca -0.46 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 1w4m h ARG 54 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1w4m h ARG 54 CO 0.62 0.32 -0.20 1.96 -1.51 0.00 0.00 179.97 181.16 1w4m h GLN 55 N 0.00 0.66 -0.63 0.20 4.20 -1.98 -1.28 115.11 116.28 1w4m h GLN 55 Ca -0.00 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.37 1w4m h GLN 55 Cb 0.58 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1w4m h GLN 55 CO 0.04 0.91 0.29 0.93 -0.67 0.00 0.00 178.83 180.33 1w4m h GLU 56 N 0.41 0.91 0.00 1.46 5.08 -1.90 -1.97 114.58 118.58 1w4m h GLU 56 Ca 0.06 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1w4m h GLU 56 Cb 0.74 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1w4m h GLU 56 CO 0.05 0.74 -0.03 0.78 -1.00 0.00 0.00 179.01 179.56 1w4m h GLY 57 N 0.87 0.00 0.92 -3.84 0.00 -1.43 -2.81 103.07 96.77 1w4m h GLY 57 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.41 1w4m h GLY 57 CO -0.02 0.00 -0.42 -2.00 0.00 0.00 0.00 176.54 174.10 1w4m h LEU 58 N 0.00 0.67 -0.20 3.11 6.46 -0.48 -2.12 115.31 122.75 1w4m h LEU 58 Ca -0.00 -0.57 -0.07 0.00 -0.12 0.00 0.00 57.88 57.12 1w4m h LEU 58 Cb 0.66 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.40 1w4m h LEU 58 CO 0.00 1.12 -0.15 0.00 -0.62 0.00 0.00 178.44 178.80 1w4m h MET 59 N 0.25 0.46 -0.30 1.25 -0.00 -1.38 -2.05 114.93 113.16 1w4m h MET 59 Ca -0.00 -0.22 0.03 0.00 -0.00 0.00 0.00 59.70 59.51 1w4m h MET 59 Cb 1.03 -0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.60 1w4m h MET 59 CO 0.09 0.78 0.11 0.82 -0.00 0.00 0.00 176.91 178.70 1w4m h ILE 60 N 0.14 0.93 -0.34 -0.10 1.08 -1.56 -1.21 117.51 116.45 1w4m h ILE 60 Ca 0.04 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 1w4m h ILE 60 Cb 0.67 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.07 1w4m h ILE 60 CO 0.04 0.04 0.17 0.00 -0.69 0.00 0.00 178.15 177.71 1w4m h ALA 61 N 1.18 1.67 -0.39 1.87 0.00 -1.37 -0.78 119.26 121.44 1w4m h ALA 61 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1w4m h ALA 61 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1w4m h ALA 61 CO -0.13 0.27 0.12 0.77 0.00 0.00 0.00 179.25 180.28 1w4m h SER 62 N 0.46 0.51 0.28 0.00 0.02 -0.49 -1.31 113.55 113.03 1w4m h SER 62 Ca 0.12 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1w4m h SER 62 Cb 0.04 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1w4m h SER 62 CO -0.02 0.50 -0.52 -1.28 -1.14 0.00 0.00 176.83 174.37 1w4m h SER 63 N 0.56 0.30 0.53 3.07 0.87 -0.48 -1.27 113.55 117.13 1w4m h SER 63 Ca 0.13 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1w4m h SER 63 Cb 0.17 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1w4m h SER 63 CO -0.01 0.77 -0.37 -0.07 -0.53 0.00 0.00 176.83 176.62 1w4m h LEU 64 N 0.21 -0.96 -1.44 2.23 3.38 -0.73 -1.92 115.31 116.09 1w4m h LEU 64 Ca 0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1w4m h LEU 64 Cb 1.00 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1w4m h LEU 64 CO 0.08 -0.56 -0.27 0.25 0.09 0.00 0.00 178.44 178.03 1w4m h LEU 65 N -0.87 0.00 -0.37 1.67 5.85 -1.49 -1.33 115.31 118.77 1w4m h LEU 65 Ca -0.06 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1w4m h LEU 65 Cb 0.73 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1w4m h LEU 65 CO 0.03 0.27 0.19 -1.13 -0.34 0.00 0.00 178.44 177.46 1w4m h ASN 66 N 0.00 0.28 1.08 1.25 -1.24 -0.68 -0.54 115.58 115.73 1w4m h ASN 66 Ca -0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1w4m h ASN 66 Cb 0.57 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1w4m h ASN 66 CO 0.04 0.20 0.00 -0.33 -1.29 0.00 0.00 177.43 176.05 1w4m h GLU 67 N 0.39 0.00 0.00 6.67 5.08 -1.16 -3.46 114.58 122.10 1w4m h GLU 67 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1w4m h GLU 67 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1w4m h GLU 67 CO -0.11 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.31 1w4m n GLY 68 N 0.22 1.08 0.23 -3.84 0.00 -0.21 -5.00 105.19 97.67 1w4m n GLY 68 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 1w4m n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1w4m h TYR 69 N 0.00 0.64 -1.03 1.61 0.05 -1.42 -3.45 116.97 113.37 1w4m h TYR 69 Ca 0.00 -0.17 -0.49 0.00 0.05 0.00 0.00 58.73 58.12 1w4m h TYR 69 Cb 0.00 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.60 1w4m h TYR 69 CO 0.00 0.84 -0.22 -0.51 -1.05 0.00 0.00 178.16 177.22 1w4m s LEU 70 N -8.56 3.22 -0.26 3.88 2.01 -1.26 -4.84 118.68 112.87 1w4m s LEU 70 Ca -0.07 -0.79 -0.03 0.00 0.01 0.00 0.00 54.13 53.25 1w4m s LEU 70 Cb 0.13 -1.88 0.11 0.00 0.01 0.00 0.00 46.19 44.55 1w4m s LEU 70 CO 0.82 -1.04 0.20 -1.58 1.01 0.00 0.00 176.35 175.76 1w4m s GLN 71 N -4.43 0.23 0.73 1.70 2.00 -0.73 -4.90 119.66 114.26 1w4m s GLN 71 Ca 0.53 -0.21 -0.16 0.00 -2.00 0.00 0.00 55.36 53.52 1w4m s GLN 71 Cb -0.06 -1.04 -0.02 0.00 0.80 0.00 0.00 33.01 32.69 1w4m s GLN 71 CO 0.33 -0.92 0.64 -0.35 -0.50 0.00 0.00 175.29 174.48 1w4m n PRO 72 N 5.29 0.32 -3.72 1.67 -0.04 -1.26 -2.07 135.00 135.19 1w4m n PRO 72 Ca -0.05 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1w4m n PRO 72 Cb 0.46 -1.93 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 1w4m n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1w4m s ALA 73 N -1.91 -0.91 0.00 0.55 0.00 0.43 -4.85 121.76 115.07 1w4m s ALA 73 Ca 0.67 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1w4m s ALA 73 Cb -0.34 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1w4m s ALA 73 CO 0.56 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1w4m n GLY 74 N 3.68 1.63 0.14 0.00 0.00 -1.26 -1.92 105.19 107.46 1w4m n GLY 74 Ca -0.19 -2.20 -0.15 0.00 0.00 0.00 0.00 46.02 43.47 1w4m n GLY 74 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1w4m h ASP 75 N 0.00 0.50 0.35 1.61 3.58 -1.98 -2.92 116.42 117.56 1w4m h ASP 75 Ca 0.00 -0.46 -0.02 0.00 0.42 0.00 0.00 57.03 56.97 1w4m h ASP 75 Cb 0.00 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1w4m h ASP 75 CO 0.00 1.30 -0.17 -0.03 -2.88 0.00 0.00 179.24 177.46 1w4m h MET 76 N 0.16 -0.45 0.00 0.28 4.05 -1.91 -2.72 114.93 114.34 1w4m h MET 76 Ca -0.11 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1w4m h MET 76 Cb 1.76 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 32.66 1w4m h MET 76 CO 0.18 -0.19 -0.09 0.66 0.23 0.00 0.00 176.91 177.70 1w4m h SER 77 N -0.66 0.00 1.14 1.39 4.64 -1.81 -1.04 113.55 117.21 1w4m h SER 77 Ca -0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1w4m h SER 77 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1w4m h SER 77 CO 0.08 0.09 -0.08 0.11 -0.87 0.00 0.00 176.83 176.16 1w4m h LYS 78 N 0.00 0.00 0.00 4.77 1.57 -1.30 -2.95 116.57 118.66 1w4m h LYS 78 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1w4m h LYS 78 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1w4m h LYS 78 CO 0.01 0.08 -1.73 -1.13 -0.57 0.00 0.00 179.45 176.11 1w4m n SER 79 N -3.18 0.33 0.21 0.86 3.41 -0.46 -4.13 113.62 110.65 1w4m n SER 79 Ca 0.01 0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.84 1w4m n SER 79 Cb 0.38 1.23 0.43 0.00 -0.26 0.00 0.00 64.21 65.99 1w4m n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1w4m h ALA 80 N 1.78 1.02 -0.01 7.33 0.00 -1.20 -2.61 119.26 125.57 1w4m h ALA 80 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1w4m h ALA 80 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1w4m h ALA 80 CO 0.01 0.33 -0.05 1.33 0.00 0.00 0.00 179.25 180.87 1w4m n VAL 81 N -3.45 0.00 0.35 0.00 0.24 -1.18 -4.33 118.33 109.96 1w4m n VAL 81 Ca -0.00 -0.23 -0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1w4m n VAL 81 Cb 0.45 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.24 1w4m n VAL 81 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1w4m h ASP 82 N 2.12 -0.75 0.00 -1.34 3.58 -1.63 -3.42 116.42 114.98 1w4m h ASP 82 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1w4m h ASP 82 Cb 0.50 0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1w4m h ASP 82 CO 0.00 -0.52 0.00 0.61 -2.88 0.00 0.00 179.24 176.45 1w4m n GLY 83 N -1.32 0.07 3.65 -0.78 0.00 -1.26 -4.86 105.19 100.68 1w4m n GLY 83 Ca -0.11 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1w4m n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1w4m s THR 84 N 0.00 3.77 -0.37 2.61 -4.23 -1.26 -4.89 115.64 111.27 1w4m s THR 84 Ca 0.00 0.91 0.04 0.00 -1.18 0.00 0.00 61.69 61.46 1w4m s THR 84 Cb 0.00 -3.67 0.57 0.00 1.34 0.00 0.00 72.50 70.74 1w4m s THR 84 CO 0.00 -0.17 1.75 0.00 -0.54 0.00 0.00 174.62 175.66 1w4m n ALA 85 N 7.56 4.97 -0.02 3.99 0.00 -1.26 -4.40 120.51 131.35 1w4m n ALA 85 Ca 0.17 -2.35 -0.15 0.00 0.00 0.00 0.00 53.44 51.11 1w4m n ALA 85 Cb 0.44 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 1w4m n ALA 85 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1w4m h GLU 86 N 1.05 0.18 -2.15 0.00 4.81 -1.94 -3.40 114.58 113.14 1w4m h GLU 86 Ca 0.49 -0.20 -0.58 0.00 -0.13 0.00 0.00 59.36 58.93 1w4m h GLU 86 Cb 2.50 0.06 -0.40 0.00 0.63 0.00 0.00 28.75 31.53 1w4m h GLU 86 CO 0.88 0.94 -0.85 0.27 -0.73 0.00 0.00 179.01 179.52 1w4m n ASN 87 N -4.48 1.86 -1.24 1.04 6.94 -1.26 -4.71 115.26 113.40 1w4m n ASN 87 Ca -0.10 -3.03 -0.05 0.00 -0.02 0.00 0.00 54.58 51.38 1w4m n ASN 87 Cb 0.52 -0.65 0.05 0.00 -2.36 0.00 0.00 39.78 37.34 1w4m n ASN 87 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1w4m n PRO 88 N 1.25 1.35 -3.61 -0.53 -0.04 -1.26 -4.82 135.00 127.33 1w4m n PRO 88 Ca 0.25 -0.70 -0.39 0.00 -0.04 0.00 0.00 63.50 62.62 1w4m n PRO 88 Cb 0.47 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1w4m n PRO 88 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1w4m s PHE 89 N -0.83 3.19 -0.14 0.54 2.19 -1.26 -4.93 117.98 116.74 1w4m s PHE 89 Ca 0.13 -0.25 -0.05 0.00 0.33 0.00 0.00 56.93 57.09 1w4m s PHE 89 Cb 0.11 -2.38 -0.03 0.00 -1.31 0.00 0.00 43.02 39.41 1w4m s PHE 89 CO 0.03 -0.33 0.02 -0.51 1.83 0.00 0.00 175.22 176.25 1w4m s LEU 90 N 1.69 3.61 -0.20 6.12 1.43 -1.26 -4.92 118.68 125.15 1w4m s LEU 90 Ca 0.06 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1w4m s LEU 90 Cb -0.17 -1.87 0.30 0.00 0.03 0.00 0.00 46.19 44.48 1w4m s LEU 90 CO 0.08 0.25 1.40 -0.90 0.23 0.00 0.00 176.35 177.41 1w4m n ASP 91 N 3.03 3.33 -4.72 2.29 5.75 -1.26 -4.14 116.55 120.84 1w4m n ASP 91 Ca -0.18 -2.71 -0.34 0.00 -0.01 0.00 0.00 54.79 51.55 1w4m n ASP 91 Cb 0.53 -0.65 -0.09 0.00 -1.03 0.00 0.00 41.12 39.88 1w4m n ASP 91 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1w4m s ASN 92 N -0.05 5.38 0.39 -1.12 3.84 -1.26 -3.98 114.94 118.15 1w4m s ASN 92 Ca 0.26 0.14 0.28 0.00 0.21 0.00 0.00 52.86 53.75 1w4m s ASN 92 Cb 0.22 -1.52 1.20 0.00 -0.55 0.00 0.00 41.25 40.60 1w4m s ASN 92 CO 0.05 0.34 1.84 1.55 -2.79 0.00 0.00 177.10 178.09 1w4m h PRO 93 N 4.77 0.00 -0.17 0.43 0.13 -1.97 -2.83 132.00 132.36 1w4m h PRO 93 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1w4m h PRO 93 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1w4m h PRO 93 CO 0.57 0.00 -0.29 -0.44 -0.23 0.00 0.00 178.00 177.61 1w4m h ASP 94 N 0.00 0.32 -3.67 1.44 5.19 -1.97 -3.44 116.42 114.30 1w4m h ASP 94 Ca 0.00 -0.11 -0.50 0.00 -0.62 0.00 0.00 57.03 55.80 1w4m h ASP 94 Cb 0.40 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1w4m h ASP 94 CO 0.00 0.60 0.08 0.00 -3.12 0.00 0.00 179.24 176.80 1w4m s ALA 95 N -4.41 3.37 0.10 3.45 0.00 -1.07 -4.93 121.76 118.27 1w4m s ALA 95 Ca -0.05 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.89 1w4m s ALA 95 Cb 0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 1w4m s ALA 95 CO 0.77 0.22 -0.18 -0.06 0.00 0.00 0.00 175.76 176.50 1w4m s PHE 96 N -2.12 2.53 -0.25 0.00 0.08 -0.81 -3.81 117.98 113.60 1w4m s PHE 96 Ca 0.52 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 1w4m s PHE 96 Cb -0.10 -1.37 0.13 0.00 -0.57 0.00 0.00 43.02 41.11 1w4m s PHE 96 CO 0.23 0.35 0.34 0.71 -0.10 0.00 0.00 175.22 176.75 1w4m s TYR 97 N -1.08 -0.69 0.52 0.36 2.02 -0.14 -0.43 117.35 117.91 1w4m s TYR 97 Ca 0.17 0.43 0.07 0.00 -0.37 0.00 0.00 57.07 57.37 1w4m s TYR 97 Cb -0.11 -0.18 0.07 0.00 -0.40 0.00 0.00 41.96 41.35 1w4m s TYR 97 CO 0.09 -0.79 0.57 2.48 -1.57 0.00 0.00 175.55 176.32 1w4m n TYR 98 N 5.34 -1.55 0.95 2.71 4.11 -0.88 -2.38 117.16 125.46 1w4m n TYR 98 Ca -0.03 -2.03 0.11 0.00 -0.00 0.00 0.00 57.90 55.96 1w4m n TYR 98 Cb 0.49 -0.46 0.10 0.00 -0.00 0.00 0.00 39.34 39.47 1w4m n TYR 98 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05