#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 0.28 -0.62 -2.67 3.38 -2.01 -2.74 115.31 110.92 1w4m h LEU 6 Ca 0.00 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1w4m h LEU 6 Cb 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1w4m h LEU 6 CO 0.00 0.56 -0.20 1.23 0.09 0.00 0.00 178.44 180.12 1w4m h GLY 7 N 1.03 0.95 0.68 0.83 0.00 -2.02 -1.70 103.07 102.84 1w4m h GLY 7 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1w4m h GLY 7 CO 0.05 0.73 -0.08 0.00 0.00 0.00 0.00 176.54 177.24 1w4m h ALA 8 N 1.01 -0.23 -0.50 3.60 0.00 -1.96 -2.03 119.26 119.14 1w4m h ALA 8 Ca 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1w4m h ALA 8 Cb 0.74 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1w4m h ALA 8 CO 0.06 -0.47 0.26 1.25 0.00 0.00 0.00 179.25 180.35 1w4m h LEU 9 N -0.56 0.38 -0.55 0.00 5.85 -1.52 -1.45 115.31 117.46 1w4m h LEU 9 Ca -0.02 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1w4m h LEU 9 Cb 0.42 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1w4m h LEU 9 CO 0.04 0.27 0.25 0.22 -0.34 0.00 0.00 178.44 178.88 1w4m h TYR 10 N 0.51 0.46 -0.23 1.25 3.20 -1.30 -0.52 116.97 120.33 1w4m h TYR 10 Ca 0.21 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1w4m h TYR 10 Cb 0.11 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1w4m h TYR 10 CO -0.10 0.19 0.08 -0.07 -1.64 0.00 0.00 178.16 176.62 1w4m h LEU 11 N 0.48 0.29 -0.99 2.82 3.38 -0.67 -1.38 115.31 119.24 1w4m h LEU 11 Ca 0.26 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1w4m h LEU 11 Cb 0.23 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1w4m h LEU 11 CO -0.21 0.28 -0.09 0.28 0.09 0.00 0.00 178.44 178.79 1w4m h SER 12 N 0.33 0.61 0.51 -0.43 0.02 -0.08 -2.19 113.55 112.31 1w4m h SER 12 Ca 0.08 -0.16 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 1w4m h SER 12 Cb 0.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1w4m h SER 12 CO -0.01 0.74 -0.54 0.24 -1.14 0.00 0.00 176.83 176.13 1w4m h MET 13 N 0.58 0.03 0.00 3.45 2.86 -0.68 -2.38 114.93 118.78 1w4m h MET 13 Ca 0.11 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1w4m h MET 13 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1w4m h MET 13 CO 0.03 0.56 0.00 1.63 1.06 0.00 0.00 176.91 180.18 1w4m n LYS 14 N -3.90 0.50 0.00 1.72 4.76 -0.85 -2.49 118.16 117.89 1w4m n LYS 14 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1w4m n LYS 14 Cb 0.55 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 -1.21 -1.23 0.00 4.39 -0.08 -0.92 -4.99 116.55 112.51 1w4m n ASP 15 Ca 0.14 -0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1w4m n ASP 15 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1w4m n ASP 15 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1w4m n THR 16 N -2.54 0.00 -0.01 5.18 -2.24 -1.26 -4.46 114.28 108.94 1w4m n THR 16 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1w4m n THR 16 Cb 0.00 -0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.01 1w4m n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w4m n GLU 17 N -0.17 0.68 0.03 -0.78 1.02 -1.26 -4.12 120.64 116.05 1w4m n GLU 17 Ca 0.00 0.28 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1w4m n GLU 17 Cb 0.00 -1.76 0.50 0.00 -0.02 0.00 0.00 31.44 30.17 1w4m n GLU 17 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1w4m h LYS 18 N 0.03 0.37 0.00 3.49 1.57 -1.87 -3.43 116.57 116.72 1w4m h LYS 18 Ca -0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1w4m h LYS 18 Cb 2.03 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1w4m h LYS 18 CO 0.08 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 1w4m n GLY 19 N -1.51 0.57 2.08 3.86 0.00 -1.08 -4.83 105.19 104.29 1w4m n GLY 19 Ca 0.04 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.35 0.00 -2.57 -0.61 -5.35 -1.04 -4.88 119.36 104.56 1w4m n ILE 20 Ca 0.00 -0.15 -0.43 0.00 -0.27 0.00 0.00 62.75 61.90 1w4m n ILE 20 Cb 0.00 -0.88 0.00 0.00 -1.74 0.00 0.00 39.64 37.02 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 -3.99 3.37 -1.55 6.28 5.02 -1.26 -4.83 118.16 121.21 1w4m n LYS 21 Ca 0.09 -3.53 -0.39 0.00 -2.02 0.00 0.00 58.31 52.45 1w4m n LYS 21 Cb 0.37 -3.10 -0.04 0.00 -0.02 0.00 0.00 35.03 32.24 1w4m n LYS 21 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1w4m n GLU 22 N 5.51 1.18 -4.14 1.97 0.28 -1.26 -4.92 120.64 119.26 1w4m n GLU 22 Ca 0.41 0.15 -0.19 0.00 -0.16 0.00 0.00 57.16 57.37 1w4m n GLU 22 Cb 0.41 -3.16 -0.16 0.00 1.43 0.00 0.00 31.44 29.96 1w4m n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1w4m s LEU 23 N 10.63 1.43 -0.34 -1.84 1.02 -1.26 -4.97 118.68 123.35 1w4m s LEU 23 Ca 1.03 -0.11 -0.29 0.00 0.02 0.00 0.00 54.13 54.78 1w4m s LEU 23 Cb -0.36 -0.39 -0.00 0.00 0.02 0.00 0.00 46.19 45.45 1w4m s LEU 23 CO 0.32 -0.04 1.51 0.20 0.02 0.00 0.00 176.35 178.36 1w4m s ASN 24 N 0.74 6.32 -0.60 2.29 0.01 -1.26 -2.66 114.94 119.77 1w4m s ASN 24 Ca -0.09 1.15 -0.18 0.00 -0.71 0.00 0.00 52.86 53.03 1w4m s ASN 24 Cb -0.12 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.12 1w4m s ASN 24 CO -0.00 -1.39 0.67 -0.22 -1.51 0.00 0.00 177.10 174.65 1w4m s LEU 25 N 5.48 5.65 0.25 0.60 0.20 -0.38 -4.92 118.68 125.55 1w4m s LEU 25 Ca 0.66 -1.60 -0.02 0.00 0.69 0.00 0.00 54.13 53.86 1w4m s LEU 25 Cb -0.18 -2.28 -0.04 0.00 -0.43 0.00 0.00 46.19 43.26 1w4m s LEU 25 CO 0.30 -1.03 0.47 -0.70 -0.29 0.00 0.00 176.35 175.11 1w4m s GLU 26 N 2.30 3.56 0.00 1.98 2.12 -1.26 -0.45 118.70 126.95 1w4m s GLU 26 Ca 0.10 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.23 1w4m s GLU 26 Cb -0.24 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.40 1w4m s GLU 26 CO 0.04 0.30 0.00 1.17 -0.54 0.00 0.00 175.26 176.23 1w4m n LYS 27 N -0.91 0.00 0.01 4.30 3.00 -0.97 -4.96 118.16 118.63 1w4m n LYS 27 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1w4m n LYS 27 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.57 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 -0.31 0.42 0.00 3.14 9.92 -1.26 -4.91 116.55 123.55 1w4m n ASP 28 Ca 0.00 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1w4m n ASP 28 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 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 -2.89 0.71 -4.68 -1.24 3.00 -1.26 -5.04 118.16 106.76 1w4m n LYS 29 Ca -0.01 -0.80 -0.27 0.00 -0.00 0.00 0.00 58.31 57.23 1w4m n LYS 29 Cb 0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 35.03 34.04 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 -0.36 1.51 -0.46 1.64 1.02 -1.26 -5.11 119.74 116.73 1w4m s LYS 30 Ca 0.00 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 54.97 1w4m s LYS 30 Cb 0.00 -1.70 0.12 0.00 -0.52 0.00 0.00 37.83 35.73 1w4m s LYS 30 CO 0.00 0.43 0.20 0.42 -0.92 0.00 0.00 175.35 175.48 1w4m s ILE 31 N -0.86 2.38 -0.45 2.17 1.01 -1.26 -2.28 121.20 121.91 1w4m s ILE 31 Ca 0.10 -2.96 -0.27 0.00 0.00 0.00 0.00 60.65 57.52 1w4m s ILE 31 Cb -0.09 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.63 1w4m s ILE 31 CO 0.03 -0.75 2.25 -0.36 0.00 0.00 0.00 174.94 176.11 1w4m s PHE 32 N 0.13 1.22 -0.28 3.97 0.08 0.41 -4.86 117.98 118.65 1w4m s PHE 32 Ca 0.15 1.20 -0.28 0.00 0.12 0.00 0.00 56.93 58.13 1w4m s PHE 32 Cb -0.24 -3.76 -0.04 0.00 -0.57 0.00 0.00 43.02 38.41 1w4m s PHE 32 CO -0.03 -2.82 2.14 1.21 -0.10 0.00 0.00 175.22 175.63 1w4m s ASN 33 N 10.49 5.44 -0.80 1.36 3.84 -1.26 -1.25 114.94 132.75 1w4m s ASN 33 Ca 0.92 1.65 -0.01 0.00 0.21 0.00 0.00 52.86 55.63 1w4m s ASN 33 Cb -0.20 -2.51 -0.00 0.00 -0.55 0.00 0.00 41.25 37.99 1w4m s ASN 33 CO 0.27 -2.01 0.69 1.41 -2.79 0.00 0.00 177.10 174.67 1w4m n HIS 34 N 11.84 -2.66 -3.50 0.43 8.25 -1.11 -2.33 115.22 126.14 1w4m n HIS 34 Ca 0.29 1.01 -0.38 0.00 -0.26 0.00 0.00 57.72 58.38 1w4m n HIS 34 Cb 0.46 -3.73 -0.09 0.00 1.12 0.00 0.00 29.99 27.76 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 4.72 0.00 -3.52 0.00 -1.74 -1.01 -4.78 117.46 111.12 1w4m n PHE 36 Ca -0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.58 1w4m n PHE 36 Cb 0.51 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.49 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 -1.47 2.98 0.10 1.97 -4.23 -1.26 -0.82 115.64 112.91 1w4m s THR 37 Ca 0.00 -1.27 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1w4m s THR 37 Cb 0.00 -3.06 -0.15 0.00 1.34 0.00 0.00 72.50 70.63 1w4m s THR 37 CO 0.00 -0.05 1.31 1.23 -0.54 0.00 0.00 174.62 176.57 1w4m h GLY 38 N 1.01 0.86 2.00 3.99 0.00 -1.59 -3.07 103.07 106.27 1w4m h GLY 38 Ca -0.42 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 45.73 1w4m h GLY 38 CO 0.55 1.05 0.00 -2.01 0.00 0.00 0.00 176.54 176.13 1w4m n ASN 39 N -3.99 0.57 0.21 0.19 2.85 -1.26 -3.21 115.26 110.63 1w4m n ASN 39 Ca -0.07 0.65 -0.13 0.00 -0.11 0.00 0.00 54.58 54.92 1w4m n ASN 39 Cb 0.71 -0.76 -0.07 0.00 1.24 0.00 0.00 39.78 40.90 1w4m n ASN 39 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1w4m h VAL 41 N -0.96 0.78 -0.30 0.00 2.07 -1.65 -0.74 116.25 115.45 1w4m h VAL 41 Ca -0.06 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1w4m h VAL 41 Cb 0.56 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1w4m h VAL 41 CO 0.10 0.02 -0.15 0.40 0.02 0.00 0.00 177.57 177.95 1w4m h ILE 42 N 0.11 1.29 -0.34 4.57 1.08 -1.60 -0.66 117.51 121.96 1w4m h ILE 42 Ca 0.26 -1.25 -0.13 0.00 -0.39 0.00 0.00 64.86 63.34 1w4m h ILE 42 Cb 0.88 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1w4m h ILE 42 CO -0.03 0.40 -0.32 -0.78 -0.69 0.00 0.00 178.15 176.73 1w4m h ASP 43 N 0.37 0.79 -0.09 1.72 1.82 -0.82 -1.11 116.42 119.11 1w4m h ASP 43 Ca 0.06 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.36 1w4m h ASP 43 Cb 0.68 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 1w4m h ASP 43 CO 0.04 1.05 -0.02 -0.25 -1.61 0.00 0.00 179.24 178.46 1w4m h TRP 44 N 0.64 0.19 -0.58 0.28 7.01 -1.15 -0.16 115.95 122.17 1w4m h TRP 44 Ca 0.07 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1w4m h TRP 44 Cb 0.86 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.84 1w4m h TRP 44 CO 0.04 0.47 0.35 -0.07 -2.79 0.00 0.00 178.44 176.45 1w4m h LEU 45 N -0.16 0.70 -1.30 0.65 4.07 -1.10 -1.96 115.31 116.21 1w4m h LEU 45 Ca 0.02 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.86 1w4m h LEU 45 Cb 0.41 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1w4m h LEU 45 CO 0.01 0.55 -0.20 0.58 -1.08 0.00 0.00 178.44 178.30 1w4m h VAL 46 N 0.78 1.21 0.00 1.22 2.07 -1.15 -2.02 116.25 118.37 1w4m h VAL 46 Ca 0.21 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1w4m h VAL 46 Cb -0.02 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1w4m h VAL 46 CO -0.04 0.29 -0.20 0.77 0.02 0.00 0.00 177.57 178.41 1w4m h SER 47 N 0.21 0.00 -1.46 0.57 4.64 -0.33 -3.41 113.55 113.76 1w4m h SER 47 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1w4m h SER 47 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1w4m h SER 47 CO 0.03 0.20 0.00 -3.20 -0.87 0.00 0.00 176.83 172.99 1w4m n ASN 48 N -3.33 0.00 -0.94 4.97 5.15 -0.76 -5.00 115.26 115.35 1w4m n ASN 48 Ca 0.00 -0.28 0.12 0.00 -0.60 0.00 0.00 54.58 53.83 1w4m n ASN 48 Cb 0.43 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.89 1w4m n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1w4m n GLN 49 N -0.28 2.27 0.16 1.20 1.13 -1.26 -4.41 117.38 116.19 1w4m n GLN 49 Ca 0.00 -1.88 -0.13 0.00 -1.94 0.00 0.00 57.00 53.06 1w4m n GLN 49 Cb 0.00 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.80 1w4m n GLN 49 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1w4m h SER 50 N 4.19 -0.37 -3.56 1.08 0.87 -1.92 -3.47 113.55 110.36 1w4m h SER 50 Ca 0.00 -0.17 -0.49 0.00 -1.23 0.00 0.00 61.79 59.90 1w4m h SER 50 Cb 0.90 0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.82 1w4m h SER 50 CO 0.00 0.03 -0.56 0.68 -0.53 0.00 0.00 176.83 176.45 1w4m s VAL 51 N -4.33 0.74 0.10 2.23 -7.23 -1.19 -5.02 120.40 105.69 1w4m s VAL 51 Ca -0.13 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1w4m s VAL 51 Cb 0.02 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1w4m s VAL 51 CO 0.50 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.83 1w4m n ARG 52 N -0.74 0.00 -2.09 4.82 5.12 -1.26 -4.37 116.66 118.13 1w4m n ARG 52 Ca -0.03 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.60 1w4m n ARG 52 Cb 0.66 -0.40 0.04 0.00 -1.16 0.00 0.00 32.46 31.59 1w4m n ARG 52 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1w4m s ASN 53 N -5.57 5.54 0.32 0.55 3.84 -1.26 -4.84 114.94 113.53 1w4m s ASN 53 Ca 0.00 0.98 0.11 0.00 0.21 0.00 0.00 52.86 54.15 1w4m s ASN 53 Cb 0.00 -1.87 0.54 0.00 -0.55 0.00 0.00 41.25 39.37 1w4m s ASN 53 CO 0.00 -1.21 1.73 -0.09 -2.79 0.00 0.00 177.10 174.74 1w4m h ARG 54 N -0.45 0.05 -0.43 0.43 2.43 -1.98 -2.71 114.38 111.73 1w4m h ARG 54 Ca -0.45 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 58.55 1w4m h ARG 54 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1w4m h ARG 54 CO 0.63 0.51 -0.30 0.37 -1.51 0.00 0.00 179.97 179.67 1w4m h GLN 55 N 0.04 0.94 -0.35 0.20 4.15 -1.98 -1.41 115.11 116.70 1w4m h GLN 55 Ca -0.00 -0.44 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1w4m h GLN 55 Cb 0.84 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1w4m h GLN 55 CO 0.06 1.10 0.08 0.93 -1.93 0.00 0.00 178.83 179.07 1w4m h GLU 56 N 0.79 0.57 0.00 1.69 5.08 -1.91 -2.28 114.58 118.52 1w4m h GLU 56 Ca 0.09 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1w4m h GLU 56 Cb 0.88 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1w4m h GLU 56 CO 0.08 0.63 0.00 0.78 -1.00 0.00 0.00 179.01 179.50 1w4m h GLY 57 N 0.42 0.00 0.95 -3.84 0.00 -1.44 -2.67 103.07 96.49 1w4m h GLY 57 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.24 1w4m h GLY 57 CO 0.00 0.00 -0.80 -2.00 0.00 0.00 0.00 176.54 173.74 1w4m h LEU 58 N 0.00 0.68 -0.39 3.11 6.46 -0.86 -2.61 115.31 121.70 1w4m h LEU 58 Ca 0.00 -0.77 -0.17 0.00 -0.12 0.00 0.00 57.88 56.82 1w4m h LEU 58 Cb 0.59 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1w4m h LEU 58 CO 0.00 1.36 -0.53 0.00 -0.62 0.00 0.00 178.44 178.65 1w4m h MET 59 N 0.07 0.78 -0.39 1.25 -0.00 -1.37 -1.72 114.93 113.55 1w4m h MET 59 Ca -0.10 -0.48 -0.02 0.00 -0.00 0.00 0.00 59.70 59.09 1w4m h MET 59 Cb 1.50 0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 33.13 1w4m h MET 59 CO 0.16 1.11 0.16 0.82 -0.00 0.00 0.00 176.91 179.15 1w4m h ILE 60 N 0.60 1.19 0.00 -0.10 1.08 -1.56 -2.11 117.51 116.61 1w4m h ILE 60 Ca 0.02 -0.59 -0.06 0.00 -0.39 0.00 0.00 64.86 63.83 1w4m h ILE 60 Cb 1.11 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 1w4m h ILE 60 CO 0.11 0.21 -0.31 0.00 -0.69 0.00 0.00 178.15 177.48 1w4m h ALA 61 N 1.00 1.40 -0.28 1.87 0.00 -1.45 -2.76 119.26 119.05 1w4m h ALA 61 Ca 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1w4m h ALA 61 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1w4m h ALA 61 CO -0.01 0.38 0.16 0.77 0.00 0.00 0.00 179.25 180.55 1w4m h SER 62 N 0.00 0.26 0.11 0.00 0.02 -0.64 -2.67 113.55 110.63 1w4m h SER 62 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1w4m h SER 62 Cb 0.57 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1w4m h SER 62 CO 0.04 0.19 -0.09 0.77 -1.14 0.00 0.00 176.83 176.60 1w4m h SER 63 N 0.33 -0.23 -0.75 3.07 4.64 -1.19 -1.36 113.55 118.05 1w4m h SER 63 Ca 0.11 0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.52 1w4m h SER 63 Cb 0.00 0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.08 1w4m h SER 63 CO -0.06 -0.14 -0.44 0.18 -0.87 0.00 0.00 176.83 175.50 1w4m n LEU 64 N -5.20 -0.80 -0.05 5.97 4.77 -1.03 0.01 117.00 120.67 1w4m n LEU 64 Ca -0.08 1.46 -0.05 0.00 -0.03 0.00 0.00 56.01 57.32 1w4m n LEU 64 Cb 0.13 -0.24 0.16 0.00 -2.33 0.00 0.00 43.42 41.14 1w4m n LEU 64 CO 0.32 -1.15 0.78 0.25 -1.33 0.00 0.00 177.39 176.26 1w4m h LEU 65 N 0.00 0.65 -1.78 2.23 5.85 -1.42 -2.06 115.31 118.78 1w4m h LEU 65 Ca 0.12 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1w4m h LEU 65 Cb 0.31 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1w4m h LEU 65 CO -0.71 0.82 0.22 -1.13 -0.34 0.00 0.00 178.44 177.31 1w4m h ASN 66 N 0.60 0.24 1.65 1.25 -1.24 0.76 0.42 115.58 119.26 1w4m h ASN 66 Ca 0.10 -0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 1w4m h ASN 66 Cb 0.60 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 1w4m h ASN 66 CO 0.04 0.17 -0.30 -0.33 -1.29 0.00 0.00 177.43 175.72 1w4m h GLU 67 N 0.28 0.00 0.00 6.67 5.08 -0.40 -3.47 114.58 122.74 1w4m h GLU 67 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1w4m h GLU 67 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1w4m h GLU 67 CO -0.03 0.30 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 1w4m n GLY 68 N 1.11 1.16 0.12 -3.84 0.00 0.14 -5.01 105.19 98.87 1w4m n GLY 68 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.31 -2.69 1.61 0.05 -1.55 -3.45 116.97 111.25 1w4m h TYR 69 Ca 0.00 -0.04 -0.45 0.00 0.05 0.00 0.00 58.73 58.28 1w4m h TYR 69 Cb 0.00 -0.09 0.08 0.00 1.01 0.00 0.00 36.73 37.73 1w4m h TYR 69 CO 0.00 0.45 0.11 -0.51 -1.05 0.00 0.00 178.16 177.16 1w4m s LEU 70 N -9.62 3.02 -0.18 3.88 2.01 -1.26 -4.91 118.68 111.62 1w4m s LEU 70 Ca -0.14 -0.06 -0.04 0.00 0.01 0.00 0.00 54.13 53.90 1w4m s LEU 70 Cb 0.06 -2.49 0.06 0.00 0.01 0.00 0.00 46.19 43.84 1w4m s LEU 70 CO 0.72 -1.65 0.07 -1.58 1.01 0.00 0.00 176.35 174.92 1w4m s GLN 71 N -5.10 0.24 0.55 1.70 2.00 -0.64 -4.90 119.66 113.51 1w4m s GLN 71 Ca 0.63 -0.19 -0.22 0.00 -2.00 0.00 0.00 55.36 53.59 1w4m s GLN 71 Cb -0.08 -1.91 -0.05 0.00 0.80 0.00 0.00 33.01 31.77 1w4m s GLN 71 CO 0.43 -0.67 1.29 -2.30 -0.50 0.00 0.00 175.29 173.55 1w4m n PRO 72 N 5.21 1.58 -3.85 1.67 -0.02 -1.26 -1.68 135.00 136.65 1w4m n PRO 72 Ca -0.08 0.58 -0.15 0.00 -2.02 0.00 0.00 63.50 61.84 1w4m n PRO 72 Cb 0.48 -2.50 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 1w4m n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w4m s ALA 73 N -1.31 0.13 0.00 3.55 0.00 0.16 -4.86 121.76 119.43 1w4m s ALA 73 Ca 0.72 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1w4m s ALA 73 Cb -0.43 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1w4m s ALA 73 CO 0.49 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1w4m n GLY 74 N 3.83 1.23 0.14 0.00 0.00 -1.26 -2.10 105.19 107.03 1w4m n GLY 74 Ca -0.23 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.70 1w4m n GLY 74 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1w4m h ASP 75 N 0.00 0.00 0.62 1.61 5.19 -1.98 -3.12 116.42 118.74 1w4m h ASP 75 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1w4m h ASP 75 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1w4m h ASP 75 CO 0.00 0.31 -0.30 -0.03 -3.12 0.00 0.00 179.24 176.10 1w4m h MET 76 N 0.00 -0.80 -0.29 3.56 4.05 -1.89 -2.02 114.93 117.54 1w4m h MET 76 Ca -0.04 0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1w4m h MET 76 Cb 1.27 0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 32.23 1w4m h MET 76 CO 0.03 -0.53 0.07 0.77 0.23 0.00 0.00 176.91 177.48 1w4m h SER 77 N -1.02 0.37 0.28 1.39 0.02 -1.81 -1.43 113.55 111.35 1w4m h SER 77 Ca -0.08 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1w4m h SER 77 Cb 0.64 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 1w4m h SER 77 CO 0.14 0.39 -0.15 0.11 -1.14 0.00 0.00 176.83 176.18 1w4m h LYS 78 N 0.41 0.00 0.00 3.45 1.79 -1.52 -2.17 116.57 118.53 1w4m h LYS 78 Ca 0.10 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.36 1w4m h LYS 78 Cb 0.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 1w4m h LYS 78 CO -0.00 0.15 -1.29 1.03 -1.08 0.00 0.00 179.45 178.26 1w4m h SER 79 N 0.00 0.00 -0.43 0.86 0.87 -0.51 -3.16 113.55 111.18 1w4m h SER 79 Ca -0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1w4m h SER 79 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 1w4m h SER 79 CO 0.02 0.78 -0.20 0.00 -0.53 0.00 0.00 176.83 176.90 1w4m h ALA 80 N 1.22 0.60 -0.00 6.23 0.00 -0.78 -2.80 119.26 123.73 1w4m h ALA 80 Ca -0.15 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1w4m h ALA 80 Cb 1.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1w4m h ALA 80 CO 0.08 0.57 -0.11 1.33 0.00 0.00 0.00 179.25 181.12 1w4m n VAL 81 N -4.19 0.00 0.03 0.00 0.24 -0.95 -3.91 118.33 109.55 1w4m n VAL 81 Ca -0.01 -0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.21 1w4m n VAL 81 Cb 0.44 -0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.71 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 0.58 -0.09 0.00 -1.34 3.58 -1.45 -3.44 116.42 114.26 1w4m h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1w4m h ASP 82 Cb 0.35 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1w4m h ASP 82 CO 0.00 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 1w4m n GLY 83 N 0.94 1.67 3.59 -0.78 0.00 -1.22 -4.84 105.19 104.55 1w4m n GLY 83 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1w4m n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w4m s THR 84 N 0.17 4.02 -0.82 2.61 2.01 -1.26 -4.87 115.64 117.50 1w4m s THR 84 Ca 0.00 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.02 1w4m s THR 84 Cb 0.00 -4.61 0.32 0.00 0.01 0.00 0.00 72.50 68.21 1w4m s THR 84 CO 0.00 -1.18 1.01 0.00 -0.69 0.00 0.00 174.62 173.76 1w4m n ALA 85 N 8.48 2.99 0.21 7.40 0.00 -1.25 -4.19 120.51 134.15 1w4m n ALA 85 Ca 0.11 -0.73 0.07 0.00 0.00 0.00 0.00 53.44 52.89 1w4m n ALA 85 Cb 0.49 -1.04 0.58 0.00 0.00 0.00 0.00 19.45 19.47 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 1.57 0.09 -2.83 0.00 4.81 -1.89 -3.31 114.58 113.02 1w4m h GLU 86 Ca 0.00 -0.01 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 1w4m h GLU 86 Cb 1.02 -0.02 -0.40 0.00 0.63 0.00 0.00 28.75 29.98 1w4m h GLU 86 CO 0.18 0.10 -0.77 -0.80 -0.73 0.00 0.00 179.01 176.99 1w4m s ASN 87 N -7.00 3.31 -0.06 1.04 -0.87 -1.26 -4.98 114.94 105.12 1w4m s ASN 87 Ca -0.05 -3.04 -0.27 0.00 -1.57 0.00 0.00 52.86 47.93 1w4m s ASN 87 Cb 0.17 -1.00 -0.22 0.00 -0.02 0.00 0.00 41.25 40.18 1w4m s ASN 87 CO 0.69 -0.20 1.08 1.55 -2.57 0.00 0.00 177.10 177.64 1w4m h PRO 88 N 6.11 -0.01 -6.27 -0.60 0.13 -1.89 -3.44 132.00 126.02 1w4m h PRO 88 Ca 0.11 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.68 1w4m h PRO 88 Cb 0.88 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.98 1w4m h PRO 88 CO 0.50 0.64 0.68 0.12 -0.23 0.00 0.00 178.00 179.71 1w4m s PHE 89 N -3.53 3.27 -0.16 1.56 2.19 -1.26 -4.88 117.98 115.17 1w4m s PHE 89 Ca -0.17 1.33 -0.03 0.00 0.33 0.00 0.00 56.93 58.39 1w4m s PHE 89 Cb 0.00 -3.35 -0.02 0.00 -1.31 0.00 0.00 43.02 38.34 1w4m s PHE 89 CO 0.66 -0.97 -0.06 -0.51 1.83 0.00 0.00 175.22 176.17 1w4m s LEU 90 N 2.29 3.07 -0.21 6.12 1.43 -1.26 -4.96 118.68 125.16 1w4m s LEU 90 Ca 0.53 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1w4m s LEU 90 Cb -0.22 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.38 1w4m s LEU 90 CO 0.19 0.13 2.08 -0.90 0.23 0.00 0.00 176.35 178.08 1w4m n ASP 91 N 3.80 6.07 -4.37 2.29 5.75 -1.26 -4.19 116.55 124.63 1w4m n ASP 91 Ca -0.18 -2.84 -0.30 0.00 -0.01 0.00 0.00 54.79 51.47 1w4m n ASP 91 Cb 0.52 -1.10 -0.14 0.00 -1.03 0.00 0.00 41.12 39.38 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 0.84 3.27 0.48 -1.12 -0.87 -1.26 -4.38 114.94 111.91 1w4m s ASN 92 Ca 0.22 -0.67 0.28 0.00 -1.57 0.00 0.00 52.86 51.12 1w4m s ASN 92 Cb 0.17 -0.27 1.10 0.00 -0.02 0.00 0.00 41.25 42.23 1w4m s ASN 92 CO -0.01 0.22 1.89 1.55 -2.57 0.00 0.00 177.10 178.18 1w4m h PRO 93 N 4.30 0.00 -0.15 -0.60 0.13 -1.97 -2.96 132.00 130.75 1w4m h PRO 93 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1w4m h PRO 93 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1w4m h PRO 93 CO 0.41 0.14 -0.18 -0.44 -0.23 0.00 0.00 178.00 177.70 1w4m h ASP 94 N 0.00 0.24 -3.33 1.44 3.32 -1.96 -3.42 116.42 112.71 1w4m h ASP 94 Ca -0.00 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 56.42 1w4m h ASP 94 Cb 0.65 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 1w4m h ASP 94 CO 0.02 0.45 -0.03 0.00 -1.72 0.00 0.00 179.24 177.95 1w4m s ALA 95 N -4.61 3.43 0.11 3.45 0.00 -1.12 -4.87 121.76 118.15 1w4m s ALA 95 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1w4m s ALA 95 Cb 0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1w4m s ALA 95 CO 0.74 -0.00 0.23 -0.06 0.00 0.00 0.00 175.76 176.68 1w4m s PHE 96 N 0.52 3.47 -0.26 0.00 0.08 -0.89 -3.13 117.98 117.77 1w4m s PHE 96 Ca 0.31 0.17 -0.01 0.00 0.12 0.00 0.00 56.93 57.51 1w4m s PHE 96 Cb -0.17 -1.70 0.14 0.00 -0.57 0.00 0.00 43.02 40.72 1w4m s PHE 96 CO 0.14 0.55 0.36 0.71 -0.10 0.00 0.00 175.22 176.88 1w4m s TYR 97 N -1.62 -0.76 0.58 0.36 2.02 -0.00 -0.67 117.35 117.26 1w4m s TYR 97 Ca 0.34 0.49 0.07 0.00 -0.37 0.00 0.00 57.07 57.60 1w4m s TYR 97 Cb -0.12 -0.14 0.07 0.00 -0.40 0.00 0.00 41.96 41.37 1w4m s TYR 97 CO 0.28 -0.81 0.59 1.52 -1.57 0.00 0.00 175.55 175.56 1w4m s TYR 98 N 2.49 1.34 -2.75 2.71 1.13 -0.68 -2.41 117.35 119.20 1w4m s TYR 98 Ca 0.11 -0.84 0.26 0.00 -1.41 0.00 0.00 57.07 55.18 1w4m s TYR 98 Cb -0.14 -2.01 0.63 0.00 -1.10 0.00 0.00 41.96 39.33 1w4m s TYR 98 CO -0.22 -0.85 1.51 1.19 -2.51 0.00 0.00 175.55 174.67