#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 0.51 -0.09 0.64 3.38 -2.00 -3.07 115.31 114.67 1w4m h LEU 6 Ca 0.00 -0.80 -0.07 0.00 0.09 0.00 0.00 57.88 57.10 1w4m h LEU 6 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1w4m h LEU 6 CO 0.00 1.68 -0.21 1.23 0.09 0.00 0.00 178.44 181.23 1w4m h GLY 7 N 1.09 0.34 0.91 0.83 0.00 -2.01 -2.19 103.07 102.04 1w4m h GLY 7 Ca -0.33 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1w4m h GLY 7 CO 0.16 0.37 0.09 0.00 0.00 0.00 0.00 176.54 177.16 1w4m h ALA 8 N 0.50 0.25 -0.71 3.60 0.00 -2.00 -1.16 119.26 119.75 1w4m h ALA 8 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1w4m h ALA 8 Cb 0.81 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1w4m h ALA 8 CO 0.05 -0.17 0.43 1.25 0.00 0.00 0.00 179.25 180.80 1w4m h LEU 9 N 0.18 0.67 -0.98 0.00 5.85 -1.61 -0.87 115.31 118.55 1w4m h LEU 9 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1w4m h LEU 9 Cb 0.14 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1w4m h LEU 9 CO -0.01 0.45 0.63 0.22 -0.34 0.00 0.00 178.44 179.39 1w4m h TYR 10 N 0.81 1.26 -0.08 1.25 3.20 -1.13 -1.26 116.97 121.02 1w4m h TYR 10 Ca 0.30 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 1w4m h TYR 10 Cb 0.10 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 1w4m h TYR 10 CO -0.05 0.81 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.99 1w4m h LEU 11 N 1.34 0.13 -0.43 2.82 3.38 -0.01 -2.30 115.31 120.25 1w4m h LEU 11 Ca 0.36 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 1w4m h LEU 11 Cb -0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1w4m h LEU 11 CO -0.07 0.35 -0.11 0.28 0.09 0.00 0.00 178.44 178.98 1w4m h SER 12 N 0.13 0.85 0.23 -0.43 0.02 -0.03 -2.77 113.55 111.55 1w4m h SER 12 Ca 0.02 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 1w4m h SER 12 Cb 0.45 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1w4m h SER 12 CO 0.03 1.02 -0.28 0.24 -1.14 0.00 0.00 176.83 176.70 1w4m h MET 13 N 0.67 0.08 0.00 3.45 2.86 -1.05 -1.94 114.93 119.00 1w4m h MET 13 Ca 0.11 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1w4m h MET 13 Cb 0.65 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1w4m h MET 13 CO 0.04 0.36 0.00 0.87 1.06 0.00 0.00 176.91 179.25 1w4m h LYS 14 N 0.08 0.00 0.00 1.72 1.57 -1.13 -3.03 116.57 115.78 1w4m h LYS 14 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 1w4m h LYS 14 Cb 0.54 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.95 1w4m h LYS 14 CO 0.04 0.00 -0.03 -3.47 -0.57 0.00 0.00 179.45 175.41 1w4m n ASP 15 N -2.70 -2.52 0.00 0.86 2.03 -0.75 -4.98 116.55 108.50 1w4m n ASP 15 Ca -0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1w4m n ASP 15 Cb 0.18 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 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 -4.12 0.00 0.03 5.18 -2.24 -1.26 -4.38 114.28 107.50 1w4m n THR 16 Ca 0.07 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 1w4m n THR 16 Cb 0.29 -0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 1w4m n THR 16 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1w4m h GLU 17 N 0.00 0.18 -0.99 -0.78 4.81 -1.96 -3.35 114.58 112.49 1w4m h GLU 17 Ca 0.00 -0.30 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1w4m h GLU 17 Cb 0.00 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1w4m h GLU 17 CO 0.00 0.98 0.65 0.87 -0.73 0.00 0.00 179.01 180.77 1w4m h LYS 18 N 0.05 1.20 0.00 1.92 1.79 -1.87 -3.44 116.57 116.23 1w4m h LYS 18 Ca -0.27 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 1w4m h LYS 18 Cb 2.00 -0.27 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1w4m h LYS 18 CO 0.13 0.80 0.00 0.41 -1.08 0.00 0.00 179.45 179.70 1w4m n GLY 19 N -1.38 0.77 3.05 3.86 0.00 -1.10 -4.86 105.19 105.54 1w4m n GLY 19 Ca 0.13 -1.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 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 0.00 0.00 -2.39 -0.61 -5.35 -1.14 -4.85 119.36 105.02 1w4m n ILE 20 Ca 0.00 -0.12 -0.43 0.00 -0.27 0.00 0.00 62.75 61.93 1w4m n ILE 20 Cb 0.00 -1.00 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 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 -5.33 3.22 -1.52 6.28 4.76 -1.26 -4.73 118.16 119.58 1w4m n LYS 21 Ca 0.13 -3.26 -0.40 0.00 -2.87 0.00 0.00 58.31 51.91 1w4m n LYS 21 Cb 0.56 -3.24 -0.08 0.00 -1.84 0.00 0.00 35.03 30.42 1w4m n LYS 21 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1w4m n GLU 22 N 6.40 0.63 -4.13 1.97 0.28 -1.26 -4.90 120.64 119.62 1w4m n GLU 22 Ca 0.46 0.03 -0.15 0.00 -0.16 0.00 0.00 57.16 57.34 1w4m n GLU 22 Cb 0.42 -2.56 -0.13 0.00 1.43 0.00 0.00 31.44 30.61 1w4m n GLU 22 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1w4m s LEU 23 N 10.38 2.17 0.38 -1.84 2.96 -1.26 -4.97 118.68 126.50 1w4m s LEU 23 Ca 1.15 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 54.55 1w4m s LEU 23 Cb -0.69 -0.26 -0.07 0.00 0.50 0.00 0.00 46.19 45.68 1w4m s LEU 23 CO 0.38 -0.09 0.74 0.20 -1.32 0.00 0.00 176.35 176.26 1w4m s ASN 24 N -1.09 6.55 -0.10 3.68 0.01 -1.26 -0.65 114.94 122.08 1w4m s ASN 24 Ca -0.05 1.10 -0.05 0.00 -0.71 0.00 0.00 52.86 53.16 1w4m s ASN 24 Cb -0.07 -2.31 0.05 0.00 0.41 0.00 0.00 41.25 39.32 1w4m s ASN 24 CO 0.00 -0.35 0.22 -0.22 -1.51 0.00 0.00 177.10 175.25 1w4m s LEU 25 N -3.69 0.43 0.05 0.60 0.20 -1.08 -4.84 118.68 110.37 1w4m s LEU 25 Ca 0.51 0.47 0.04 0.00 0.69 0.00 0.00 54.13 55.84 1w4m s LEU 25 Cb -0.10 0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 46.25 1w4m s LEU 25 CO 0.29 -0.17 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.46 1w4m s GLU 26 N 1.32 2.57 0.00 1.98 2.12 -1.26 -1.42 118.70 124.02 1w4m s GLU 26 Ca -0.08 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1w4m s GLU 26 Cb -0.11 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.74 1w4m s GLU 26 CO -0.08 0.57 0.00 1.17 -0.54 0.00 0.00 175.26 176.38 1w4m n LYS 27 N 0.98 0.00 0.00 4.30 3.00 -1.06 -5.00 118.16 120.38 1w4m n LYS 27 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.18 1w4m n LYS 27 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 -0.97 0.14 0.00 3.14 9.92 -1.26 -4.92 116.55 122.60 1w4m n ASP 28 Ca 0.00 0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 1w4m n ASP 28 Cb 0.00 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1w4m n ASP 28 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1w4m n LYS 29 N -2.63 0.40 -4.75 -1.24 0.00 -1.26 -5.04 118.16 103.64 1w4m n LYS 29 Ca -0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 58.31 57.32 1w4m n LYS 29 Cb 0.01 -0.82 -0.12 0.00 0.00 0.00 0.00 35.03 34.09 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 -0.26 2.67 -0.65 1.64 1.02 -1.26 -5.08 119.74 117.82 1w4m s LYS 30 Ca 0.00 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 1w4m s LYS 30 Cb 0.00 -2.50 0.17 0.00 -0.52 0.00 0.00 37.83 34.98 1w4m s LYS 30 CO 0.00 0.62 0.47 0.42 -0.92 0.00 0.00 175.35 175.95 1w4m s ILE 31 N -0.72 3.90 0.50 2.17 -1.09 -1.26 -2.55 121.20 122.15 1w4m s ILE 31 Ca 0.11 -2.92 -0.22 0.00 -2.23 0.00 0.00 60.65 55.39 1w4m s ILE 31 Cb -0.11 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.18 1w4m s ILE 31 CO 0.01 -0.89 1.24 -0.36 -1.23 0.00 0.00 174.94 173.71 1w4m s PHE 32 N -0.06 2.62 -0.09 3.97 0.08 -0.50 -4.93 117.98 119.08 1w4m s PHE 32 Ca 0.17 1.47 -0.02 0.00 0.12 0.00 0.00 56.93 58.67 1w4m s PHE 32 Cb -0.19 -3.54 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 1w4m s PHE 32 CO -0.04 -2.07 0.01 -0.80 -0.10 0.00 0.00 175.22 172.22 1w4m s ASN 33 N -1.23 5.29 -1.21 1.36 -0.87 -1.26 -2.62 114.94 114.40 1w4m s ASN 33 Ca 0.68 0.15 -0.12 0.00 -1.57 0.00 0.00 52.86 52.00 1w4m s ASN 33 Cb -0.33 -1.52 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1w4m s ASN 33 CO 0.39 0.37 0.73 1.41 -2.57 0.00 0.00 177.10 177.43 1w4m n HIS 34 N 2.19 -1.92 -3.63 2.20 8.25 -1.18 -2.58 115.22 118.55 1w4m n HIS 34 Ca -0.19 0.62 -0.36 0.00 -0.26 0.00 0.00 57.72 57.53 1w4m n HIS 34 Cb 0.54 -3.76 -0.08 0.00 1.12 0.00 0.00 29.99 27.81 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 3.78 -0.03 -3.45 0.00 -1.74 -0.96 -4.54 117.46 110.52 1w4m n PHE 36 Ca -0.14 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.56 1w4m n PHE 36 Cb 0.52 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.50 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 -1.76 3.23 0.09 1.97 -4.23 -1.26 -0.88 115.64 112.79 1w4m s THR 37 Ca 0.00 -1.19 -0.14 0.00 -1.18 0.00 0.00 61.69 59.18 1w4m s THR 37 Cb 0.00 -3.12 -0.13 0.00 1.34 0.00 0.00 72.50 70.58 1w4m s THR 37 CO 0.00 -0.07 1.33 1.23 -0.54 0.00 0.00 174.62 176.57 1w4m h GLY 38 N 0.95 0.79 2.00 3.99 0.00 -1.60 -3.03 103.07 106.17 1w4m h GLY 38 Ca -0.43 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 45.90 1w4m h GLY 38 CO 0.53 0.89 0.00 1.16 0.00 0.00 0.00 176.54 179.13 1w4m n ASN 39 N -4.11 0.66 -0.03 0.19 0.23 -1.25 -2.94 115.26 108.01 1w4m n ASN 39 Ca -0.06 0.68 -0.12 0.00 -0.53 0.00 0.00 54.58 54.54 1w4m n ASN 39 Cb 0.62 -0.81 -0.07 0.00 -2.08 0.00 0.00 39.78 37.44 1w4m n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1w4m h VAL 41 N -0.10 1.23 -0.64 0.00 2.07 -1.64 -0.76 116.25 116.41 1w4m h VAL 41 Ca 0.03 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.57 1w4m h VAL 41 Cb 0.39 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1w4m h VAL 41 CO 0.01 0.32 0.09 0.40 0.02 0.00 0.00 177.57 178.40 1w4m h ILE 42 N 0.68 1.26 -0.18 4.57 1.08 -1.58 -0.43 117.51 122.91 1w4m h ILE 42 Ca 0.14 -1.04 -0.20 0.00 -0.39 0.00 0.00 64.86 63.37 1w4m h ILE 42 Cb 0.38 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1w4m h ILE 42 CO 0.01 0.39 -0.69 -0.78 -0.69 0.00 0.00 178.15 176.39 1w4m h ASP 43 N 0.97 0.85 -0.27 1.72 1.82 -1.10 -1.36 116.42 119.05 1w4m h ASP 43 Ca 0.19 -0.52 -0.03 0.00 -0.39 0.00 0.00 57.03 56.28 1w4m h ASP 43 Cb 0.45 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1w4m h ASP 43 CO 0.02 1.30 0.04 -0.25 -1.61 0.00 0.00 179.24 178.73 1w4m h TRP 44 N 0.52 0.49 -0.39 0.28 7.01 -1.01 0.61 115.95 123.46 1w4m h TRP 44 Ca -0.03 -0.07 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 1w4m h TRP 44 Cb 1.29 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.21 1w4m h TRP 44 CO 0.07 0.57 0.03 -0.07 -2.79 0.00 0.00 178.44 176.25 1w4m h LEU 45 N 0.27 0.65 -0.90 0.65 4.07 -1.11 -2.37 115.31 116.56 1w4m h LEU 45 Ca 0.08 -0.29 -0.07 0.00 0.08 0.00 0.00 57.88 57.68 1w4m h LEU 45 Cb 0.35 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.90 1w4m h LEU 45 CO 0.01 0.77 -0.00 0.58 -1.08 0.00 0.00 178.44 178.72 1w4m h VAL 46 N 0.50 1.24 -0.18 1.22 2.07 -1.18 -1.81 116.25 118.12 1w4m h VAL 46 Ca 0.11 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1w4m h VAL 46 Cb 0.42 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1w4m h VAL 46 CO 0.01 0.36 0.00 -1.20 0.02 0.00 0.00 177.57 176.76 1w4m n SER 47 N -4.21 1.13 0.00 0.57 7.64 0.20 -4.44 113.62 114.50 1w4m n SER 47 Ca 0.03 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1w4m n SER 47 Cb 0.30 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1w4m n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1w4m n ASN 48 N 0.05 1.24 -1.09 6.43 4.05 -0.70 -5.02 115.26 120.22 1w4m n ASN 48 Ca 0.06 0.00 0.12 0.00 0.45 0.00 0.00 54.58 55.21 1w4m n ASN 48 Cb 0.19 0.00 0.18 0.00 1.23 0.00 0.00 39.78 41.39 1w4m n ASN 48 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 1w4m n GLN 49 N 0.00 2.43 0.00 1.20 7.27 -1.26 -4.55 117.38 122.47 1w4m n GLN 49 Ca 0.00 -2.18 -0.01 0.00 0.07 0.00 0.00 57.00 54.88 1w4m n GLN 49 Cb 0.00 -1.49 -0.00 0.00 2.41 0.00 0.00 30.24 31.15 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 4.45 -0.04 -1.40 1.69 0.87 -1.92 -3.49 113.55 113.71 1w4m h SER 50 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1w4m h SER 50 Cb 0.98 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.82 1w4m h SER 50 CO 0.00 0.14 -0.55 0.68 -0.53 0.00 0.00 176.83 176.57 1w4m s VAL 51 N -1.48 1.29 0.09 2.23 -7.23 -1.07 -5.05 120.40 109.19 1w4m s VAL 51 Ca -0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1w4m s VAL 51 Cb 0.00 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1w4m s VAL 51 CO 0.02 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.35 1w4m n ARG 52 N -1.08 0.00 -2.34 4.82 1.74 -1.26 -4.18 116.66 114.35 1w4m n ARG 52 Ca -0.12 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 1w4m n ARG 52 Cb 0.67 -0.38 -0.02 0.00 -1.02 0.00 0.00 32.46 31.71 1w4m n ARG 52 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1w4m s ASN 53 N -5.44 6.44 0.34 0.55 -0.87 -1.26 -4.80 114.94 109.90 1w4m s ASN 53 Ca 0.00 1.37 0.05 0.00 -1.57 0.00 0.00 52.86 52.72 1w4m s ASN 53 Cb 0.00 -2.43 0.62 0.00 -0.02 0.00 0.00 41.25 39.42 1w4m s ASN 53 CO 0.00 -0.64 1.86 -0.09 -2.57 0.00 0.00 177.10 175.66 1w4m h ARG 54 N 0.52 0.44 -0.68 -0.60 2.43 -1.98 -2.53 114.38 111.98 1w4m h ARG 54 Ca -0.46 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.53 1w4m h ARG 54 Cb 1.19 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1w4m h ARG 54 CO 0.62 0.53 0.13 1.96 -1.51 0.00 0.00 179.97 181.70 1w4m h GLN 55 N 0.42 1.11 -0.22 0.20 7.50 -1.98 -1.36 115.11 120.78 1w4m h GLN 55 Ca 0.08 -0.29 -0.02 0.00 0.50 0.00 0.00 58.65 58.93 1w4m h GLN 55 Cb 0.39 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.78 1w4m h GLN 55 CO 0.02 1.00 0.08 0.93 -1.50 0.00 0.00 178.83 179.36 1w4m h GLU 56 N 1.05 0.34 0.00 1.46 5.08 -1.85 -2.43 114.58 118.23 1w4m h GLU 56 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1w4m h GLU 56 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1w4m h GLU 56 CO 0.01 0.41 0.00 0.78 -1.00 0.00 0.00 179.01 179.21 1w4m h GLY 57 N 0.20 0.00 1.02 -3.84 0.00 -1.36 -2.45 103.07 96.64 1w4m h GLY 57 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 1w4m h GLY 57 CO -0.00 0.00 -0.85 -2.00 0.00 0.00 0.00 176.54 173.69 1w4m h LEU 58 N 0.00 0.74 -0.10 3.11 6.46 -0.78 -2.62 115.31 122.13 1w4m h LEU 58 Ca 0.00 -0.75 -0.24 0.00 -0.12 0.00 0.00 57.88 56.77 1w4m h LEU 58 Cb 0.46 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1w4m h LEU 58 CO 0.00 1.40 -0.90 0.00 -0.62 0.00 0.00 178.44 178.32 1w4m h MET 59 N 0.17 0.74 -0.18 1.25 -0.00 -1.33 -2.73 114.93 112.84 1w4m h MET 59 Ca -0.11 -0.69 -0.00 0.00 -0.00 0.00 0.00 59.70 58.91 1w4m h MET 59 Cb 1.53 0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 33.29 1w4m h MET 59 CO 0.17 1.28 0.11 0.82 -0.00 0.00 0.00 176.91 179.28 1w4m h ILE 60 N 0.46 1.08 -0.39 -0.10 1.08 -1.54 -1.90 117.51 116.21 1w4m h ILE 60 Ca -0.09 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1w4m h ILE 60 Cb 1.54 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 1w4m h ILE 60 CO 0.18 0.08 0.26 0.00 -0.69 0.00 0.00 178.15 177.98 1w4m h ALA 61 N 1.02 1.76 -0.67 1.87 0.00 -1.52 -0.35 119.26 121.36 1w4m h ALA 61 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1w4m h ALA 61 Cb 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1w4m h ALA 61 CO -0.01 0.21 0.35 0.77 0.00 0.00 0.00 179.25 180.57 1w4m h SER 62 N 0.50 0.83 -0.23 0.00 0.02 -1.03 -1.37 113.55 112.26 1w4m h SER 62 Ca 0.15 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1w4m h SER 62 Cb -0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1w4m h SER 62 CO -0.03 0.68 -0.13 -1.28 -1.14 0.00 0.00 176.83 174.93 1w4m h SER 63 N 0.94 0.63 0.26 3.07 0.87 -0.49 0.00 113.55 118.82 1w4m h SER 63 Ca 0.24 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1w4m h SER 63 Cb 0.05 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 1w4m h SER 63 CO -0.04 0.79 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.65 1w4m h LEU 64 N 0.58 -0.92 -1.05 2.23 3.38 -0.80 -1.05 115.31 117.67 1w4m h LEU 64 Ca 0.10 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1w4m h LEU 64 Cb 0.57 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1w4m h LEU 64 CO 0.04 -0.45 -0.43 0.25 0.09 0.00 0.00 178.44 177.93 1w4m h LEU 65 N -0.65 0.09 -1.91 1.67 5.85 -1.41 -1.14 115.31 117.81 1w4m h LEU 65 Ca -0.00 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1w4m h LEU 65 Cb 0.61 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1w4m h LEU 65 CO -0.11 0.51 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.30 1w4m h ASN 66 N 0.07 0.00 0.81 1.25 -0.73 -0.40 -0.24 115.58 116.34 1w4m h ASN 66 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1w4m h ASN 66 Cb 0.79 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1w4m h ASN 66 CO 0.06 0.07 -0.57 -0.62 -0.37 0.00 0.00 177.43 176.00 1w4m n GLU 67 N -4.35 0.23 -0.11 6.67 -0.58 -0.45 -4.93 120.64 117.12 1w4m n GLU 67 Ca -0.03 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1w4m n GLU 67 Cb 0.15 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1w4m n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1w4m n GLY 68 N 1.37 0.94 0.09 0.62 0.00 -0.10 -4.99 105.19 103.11 1w4m n GLY 68 Ca 0.04 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 0.18 -2.95 1.61 0.05 -1.40 -3.45 116.97 111.00 1w4m h TYR 69 Ca 0.00 -0.04 -0.45 0.00 0.05 0.00 0.00 58.73 58.29 1w4m h TYR 69 Cb 0.00 -0.04 0.07 0.00 1.01 0.00 0.00 36.73 37.76 1w4m h TYR 69 CO 0.00 0.50 0.09 -0.51 -1.05 0.00 0.00 178.16 177.19 1w4m s LEU 70 N -9.39 3.05 -0.30 3.88 2.01 -1.25 -4.85 118.68 111.83 1w4m s LEU 70 Ca -0.15 0.11 -0.03 0.00 0.01 0.00 0.00 54.13 54.08 1w4m s LEU 70 Cb 0.04 -2.81 0.11 0.00 0.01 0.00 0.00 46.19 43.54 1w4m s LEU 70 CO 0.70 -1.45 0.18 -1.58 1.01 0.00 0.00 176.35 175.21 1w4m s GLN 71 N -5.02 0.25 0.39 1.70 2.00 -0.75 -4.85 119.66 113.38 1w4m s GLN 71 Ca 0.60 -0.49 -0.26 0.00 -2.00 0.00 0.00 55.36 53.21 1w4m s GLN 71 Cb -0.10 -1.04 -0.11 0.00 0.80 0.00 0.00 33.01 32.56 1w4m s GLN 71 CO 0.42 -1.04 1.11 -0.35 -0.50 0.00 0.00 175.29 174.93 1w4m n PRO 72 N 5.17 1.58 -4.19 1.67 -0.04 -1.26 -2.29 135.00 135.64 1w4m n PRO 72 Ca -0.04 0.56 -0.19 0.00 -0.04 0.00 0.00 63.50 63.80 1w4m n PRO 72 Cb 0.43 -2.13 -0.16 0.00 -0.04 0.00 0.00 33.50 31.61 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 -1.20 0.61 0.00 0.55 0.00 -0.07 -4.90 121.76 116.75 1w4m s ALA 73 Ca 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1w4m s ALA 73 Cb -0.57 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1w4m s ALA 73 CO 0.58 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.80 1w4m n GLY 74 N 3.58 1.80 0.03 0.00 0.00 -1.26 -2.07 105.19 107.27 1w4m n GLY 74 Ca -0.21 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.75 1w4m n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1w4m n ASP 75 N 0.00 0.50 -0.07 1.61 8.00 -1.26 -3.20 116.55 122.13 1w4m n ASP 75 Ca 0.00 0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 1w4m n ASP 75 Cb 0.00 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 1w4m n ASP 75 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1w4m h MET 76 N 0.00 0.00 0.00 -1.24 4.05 -1.98 -3.18 114.93 112.58 1w4m h MET 76 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1w4m h MET 76 Cb 0.60 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1w4m h MET 76 CO 0.00 0.43 -0.07 0.66 0.23 0.00 0.00 176.91 178.16 1w4m h SER 77 N -1.00 0.00 1.27 1.39 4.64 -1.82 0.07 113.55 118.10 1w4m h SER 77 Ca -0.08 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 1w4m h SER 77 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1w4m h SER 77 CO -0.05 0.07 -0.58 0.50 -0.87 0.00 0.00 176.83 175.90 1w4m h LYS 78 N 0.00 0.00 0.00 4.77 1.63 -1.69 -3.14 116.57 118.14 1w4m h LYS 78 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1w4m h LYS 78 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1w4m h LYS 78 CO 0.01 0.58 -1.34 -1.13 -3.45 0.00 0.00 179.45 174.12 1w4m n SER 79 N -3.31 0.51 0.12 4.20 3.41 -0.74 -4.15 113.62 113.66 1w4m n SER 79 Ca 0.01 -0.30 0.01 0.00 -0.26 0.00 0.00 58.87 58.33 1w4m n SER 79 Cb 0.73 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.91 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 2.44 0.61 -0.20 7.33 0.00 -1.03 -3.16 119.26 125.26 1w4m h ALA 80 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1w4m h ALA 80 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1w4m h ALA 80 CO 0.00 0.76 0.00 1.33 0.00 0.00 0.00 179.25 181.34 1w4m n VAL 81 N -3.26 0.50 -0.24 0.00 0.24 -1.19 -4.07 118.33 110.32 1w4m n VAL 81 Ca 0.02 -0.34 -0.05 0.00 -2.04 0.00 0.00 64.34 61.93 1w4m n VAL 81 Cb 0.77 -0.09 0.11 0.00 -1.47 0.00 0.00 33.84 33.17 1w4m n VAL 81 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 1w4m h ASP 82 N 1.23 1.00 0.00 -1.34 2.03 -1.76 -3.43 116.42 114.15 1w4m h ASP 82 Ca 0.00 -0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1w4m h ASP 82 Cb 0.55 -0.26 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 1w4m h ASP 82 CO 0.06 0.90 0.00 0.61 -1.03 0.00 0.00 179.24 179.78 1w4m n GLY 83 N -0.88 0.87 3.71 7.15 0.00 -1.26 -5.00 105.19 109.77 1w4m n GLY 83 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 1.15 5.14 -0.71 2.61 -4.23 -1.26 -4.95 115.64 113.40 1w4m s THR 84 Ca 0.00 1.04 0.05 0.00 -1.18 0.00 0.00 61.69 61.60 1w4m s THR 84 Cb 0.00 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.27 1w4m s THR 84 CO 0.00 0.27 0.97 0.00 -0.54 0.00 0.00 174.62 175.32 1w4m n ALA 85 N 3.99 3.03 0.28 3.99 0.00 -1.26 -4.35 120.51 126.18 1w4m n ALA 85 Ca -0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1w4m n ALA 85 Cb 0.51 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 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 1.41 -0.69 -2.12 0.00 4.81 -1.95 -3.40 114.58 112.65 1w4m h GLU 86 Ca 0.01 0.05 -0.56 0.00 -0.13 0.00 0.00 59.36 58.73 1w4m h GLU 86 Cb 1.06 0.16 -0.41 0.00 0.63 0.00 0.00 28.75 30.19 1w4m h GLU 86 CO 0.19 -0.46 -0.89 0.09 -0.73 0.00 0.00 179.01 177.21 1w4m n ASN 87 N -4.27 2.30 -0.58 1.04 3.02 -1.26 -4.52 115.26 110.98 1w4m n ASN 87 Ca -0.09 -3.20 0.11 0.00 -0.03 0.00 0.00 54.58 51.37 1w4m n ASN 87 Cb 0.28 -0.62 0.37 0.00 -0.61 0.00 0.00 39.78 39.20 1w4m n ASN 87 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1w4m n PRO 88 N 0.58 1.76 -1.91 3.52 -0.04 -1.26 -4.92 135.00 132.74 1w4m n PRO 88 Ca 0.27 -1.14 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1w4m n PRO 88 Cb 0.50 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.79 2.48 -0.15 0.54 5.36 -1.26 -4.91 117.98 118.24 1w4m s PHE 89 Ca 0.33 0.33 -0.07 0.00 -0.96 0.00 0.00 56.93 56.56 1w4m s PHE 89 Cb 0.18 -3.98 -0.04 0.00 -0.34 0.00 0.00 43.02 38.84 1w4m s PHE 89 CO 0.27 -3.89 0.08 -0.51 -1.46 0.00 0.00 175.22 169.70 1w4m s LEU 90 N 2.47 3.95 -0.54 6.12 1.43 -1.26 -4.97 118.68 125.88 1w4m s LEU 90 Ca 0.74 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1w4m s LEU 90 Cb -0.41 -1.98 0.45 0.00 0.03 0.00 0.00 46.19 44.29 1w4m s LEU 90 CO 0.32 0.26 1.97 -0.90 0.23 0.00 0.00 176.35 178.24 1w4m n ASP 91 N 2.93 6.38 -4.71 2.29 5.75 -1.26 -4.20 116.55 123.73 1w4m n ASP 91 Ca -0.18 -3.58 -0.31 0.00 -0.01 0.00 0.00 54.79 50.72 1w4m n ASP 91 Cb 0.53 -0.94 -0.08 0.00 -1.03 0.00 0.00 41.12 39.60 1w4m n ASP 91 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1w4m s ASN 92 N -1.30 5.17 0.00 -1.12 0.02 -1.26 -4.27 114.94 112.18 1w4m s ASN 92 Ca 0.56 -0.09 0.02 0.00 -1.02 0.00 0.00 52.86 52.32 1w4m s ASN 92 Cb 0.44 -1.30 0.10 0.00 0.02 0.00 0.00 41.25 40.51 1w4m s ASN 92 CO 0.02 0.20 0.88 -0.81 0.02 0.00 0.00 177.10 177.41 1w4m n PRO 93 N 0.76 0.81 -0.13 -0.60 -0.04 -1.26 -3.30 135.00 131.24 1w4m n PRO 93 Ca -0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.13 1w4m n PRO 93 Cb 0.52 -1.03 -0.11 0.00 -0.04 0.00 0.00 33.50 32.84 1w4m n PRO 93 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1w4m n ASP 94 N -0.53 2.00 -4.77 3.54 5.68 -1.26 -4.95 116.55 116.26 1w4m n ASP 94 Ca 0.01 0.05 -0.37 0.00 -0.50 0.00 0.00 54.79 53.98 1w4m n ASP 94 Cb 0.01 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.45 1w4m n ASP 94 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1w4m s ALA 95 N -2.49 2.90 0.09 2.12 0.00 -1.21 -5.01 121.76 118.16 1w4m s ALA 95 Ca -0.35 1.02 0.05 0.00 0.00 0.00 0.00 51.96 52.68 1w4m s ALA 95 Cb 0.11 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1w4m s ALA 95 CO 0.53 -0.85 0.02 -0.06 0.00 0.00 0.00 175.76 175.39 1w4m s PHE 96 N -1.50 3.03 -0.28 0.00 0.08 -0.88 -3.26 117.98 115.16 1w4m s PHE 96 Ca 0.67 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.71 1w4m s PHE 96 Cb -0.31 -1.55 0.15 0.00 -0.57 0.00 0.00 43.02 40.74 1w4m s PHE 96 CO 0.37 0.49 0.38 0.71 -0.10 0.00 0.00 175.22 177.07 1w4m s TYR 97 N -1.35 -0.86 0.38 0.36 2.02 -0.06 -0.89 117.35 116.94 1w4m s TYR 97 Ca 0.27 0.30 0.05 0.00 -0.37 0.00 0.00 57.07 57.31 1w4m s TYR 97 Cb -0.12 -0.20 0.05 0.00 -0.40 0.00 0.00 41.96 41.30 1w4m s TYR 97 CO 0.19 -0.93 0.40 2.48 -1.57 0.00 0.00 175.55 176.13 1w4m n TYR 98 N 5.35 -1.70 0.74 2.71 4.11 -0.97 -2.27 117.16 125.12 1w4m n TYR 98 Ca -0.01 -1.48 0.09 0.00 -0.00 0.00 0.00 57.90 56.50 1w4m n TYR 98 Cb 0.49 -0.33 0.07 0.00 -0.00 0.00 0.00 39.34 39.57 1w4m n TYR 98 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05