#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 -0.75 -2.12 3.38 -2.02 -3.04 115.31 111.04 1w4m h LEU 6 Ca 0.00 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 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 0.69 -0.21 1.23 0.09 0.00 0.00 178.44 180.23 1w4m h GLY 7 N 1.24 0.78 0.83 0.83 0.00 -2.03 -2.44 103.07 102.28 1w4m h GLY 7 Ca 0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1w4m h GLY 7 CO 0.07 0.59 -0.06 0.00 0.00 0.00 0.00 176.54 177.14 1w4m h ALA 8 N 1.13 -0.16 -0.45 3.60 0.00 -1.97 -1.12 119.26 120.29 1w4m h ALA 8 Ca 0.09 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1w4m h ALA 8 Cb 0.70 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1w4m h ALA 8 CO 0.05 -0.50 0.21 1.25 0.00 0.00 0.00 179.25 180.26 1w4m h LEU 9 N -0.33 0.29 -0.85 0.00 5.85 -1.54 -0.99 115.31 117.74 1w4m h LEU 9 Ca -0.02 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1w4m h LEU 9 Cb 0.27 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 1w4m h LEU 9 CO 0.03 0.21 0.53 0.22 -0.34 0.00 0.00 178.44 179.09 1w4m h TYR 10 N 0.43 0.99 -0.00 1.25 3.20 -1.35 -0.22 116.97 121.27 1w4m h TYR 10 Ca 0.20 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1w4m h TYR 10 Cb 0.13 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1w4m h TYR 10 CO -0.11 0.53 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.66 1w4m h LEU 11 N 1.00 0.01 -0.79 2.82 3.38 -0.27 -1.95 115.31 119.50 1w4m h LEU 11 Ca 0.36 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 1w4m h LEU 11 Cb 0.11 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1w4m h LEU 11 CO -0.15 0.21 -0.17 0.28 0.09 0.00 0.00 178.44 178.70 1w4m h SER 12 N 0.01 0.73 0.65 -0.43 0.02 0.22 -2.51 113.55 112.24 1w4m h SER 12 Ca -0.00 -0.24 -0.11 0.00 -0.84 0.00 0.00 61.79 60.60 1w4m h SER 12 Cb 0.37 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1w4m h SER 12 CO 0.03 0.91 -0.53 0.24 -1.14 0.00 0.00 176.83 176.34 1w4m h MET 13 N 0.65 0.00 0.00 3.45 2.86 -0.88 -2.46 114.93 118.54 1w4m h MET 13 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1w4m h MET 13 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1w4m h MET 13 CO 0.05 0.53 0.00 1.63 1.06 0.00 0.00 176.91 180.17 1w4m n LYS 14 N -3.77 0.24 -0.09 1.72 5.02 -0.87 -2.60 118.16 117.81 1w4m n LYS 14 Ca -0.01 0.09 -0.04 0.00 -2.02 0.00 0.00 58.31 56.34 1w4m n LYS 14 Cb 0.56 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1w4m n LYS 14 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1w4m n ASP 15 N -1.33 -1.51 0.00 4.39 2.03 -0.95 -4.99 116.55 114.18 1w4m n ASP 15 Ca 0.09 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1w4m n ASP 15 Cb 0.19 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 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 -2.98 0.00 -0.02 5.18 -2.24 -1.26 -4.47 114.28 108.49 1w4m n THR 16 Ca 0.02 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1w4m n THR 16 Cb 0.07 -0.13 -0.14 0.00 -2.10 0.00 0.00 70.33 68.04 1w4m n THR 16 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1w4m n GLU 17 N -0.23 0.65 -0.32 -0.78 0.00 -1.26 -4.17 120.64 114.54 1w4m n GLU 17 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 57.16 57.44 1w4m n GLU 17 Cb 0.00 -1.77 0.12 0.00 0.00 0.00 0.00 31.44 29.79 1w4m n GLU 17 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1w4m h LYS 18 N 0.01 1.03 0.00 5.31 1.79 -1.87 -3.44 116.57 119.41 1w4m h LYS 18 Ca -0.31 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1w4m h LYS 18 Cb 2.02 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.44 1w4m h LYS 18 CO 0.08 0.68 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1w4m n GLY 19 N -1.33 0.60 0.00 3.86 0.00 -1.07 -4.88 105.19 102.37 1w4m n GLY 19 Ca 0.11 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -0.61 -5.35 -1.07 -4.92 119.36 107.41 1w4m n ILE 20 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1w4m n ILE 20 Cb 0.00 -0.65 0.00 0.00 -1.74 0.00 0.00 39.64 37.25 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 -1.53 1.94 -3.04 6.28 5.02 -1.26 -4.75 118.16 120.83 1w4m n LYS 21 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1w4m n LYS 21 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1w4m n LYS 21 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1w4m s GLU 22 N 0.00 0.40 -0.08 1.97 -1.05 -1.26 -5.04 118.70 113.63 1w4m s GLU 22 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 1w4m s GLU 22 Cb 0.00 0.09 0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1w4m s GLU 22 CO 0.00 -0.63 -0.08 -0.51 0.95 0.00 0.00 175.26 175.00 1w4m s LEU 23 N 2.31 1.28 -0.44 1.83 1.02 -1.26 -4.97 118.68 118.46 1w4m s LEU 23 Ca 0.17 -0.25 -0.29 0.00 0.02 0.00 0.00 54.13 53.78 1w4m s LEU 23 Cb -0.02 -0.74 0.01 0.00 0.02 0.00 0.00 46.19 45.47 1w4m s LEU 23 CO -0.17 -0.07 1.40 0.20 0.02 0.00 0.00 176.35 177.73 1w4m s ASN 24 N 1.31 6.32 -0.37 2.29 -0.87 -1.26 -1.37 114.94 120.98 1w4m s ASN 24 Ca -0.03 0.74 -0.21 0.00 -1.57 0.00 0.00 52.86 51.78 1w4m s ASN 24 Cb -0.14 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.56 1w4m s ASN 24 CO -0.03 -1.46 0.69 -0.22 -2.57 0.00 0.00 177.10 173.51 1w4m s LEU 25 N 5.47 4.24 0.07 0.60 0.20 -0.27 -4.93 118.68 124.05 1w4m s LEU 25 Ca 0.59 0.15 -0.10 0.00 0.69 0.00 0.00 54.13 55.46 1w4m s LEU 25 Cb -0.13 -2.87 -0.06 0.00 -0.43 0.00 0.00 46.19 42.71 1w4m s LEU 25 CO 0.32 -0.68 0.40 -0.70 -0.29 0.00 0.00 176.35 175.40 1w4m s GLU 26 N 2.89 3.77 0.00 1.98 2.12 -1.26 -1.30 118.70 126.89 1w4m s GLU 26 Ca 0.27 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.79 1w4m s GLU 26 Cb -0.14 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1w4m s GLU 26 CO 0.16 0.58 0.00 1.17 -0.54 0.00 0.00 175.26 176.63 1w4m n LYS 27 N 1.03 1.90 0.53 4.30 3.00 -0.38 -4.97 118.16 123.56 1w4m n LYS 27 Ca -0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.02 1w4m n LYS 27 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.46 1w4m n LYS 27 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1w4m h ASP 28 N 0.00 -1.13 0.00 3.14 1.82 -2.06 -3.38 116.42 114.81 1w4m h ASP 28 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1w4m h ASP 28 Cb 0.00 0.29 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1w4m h ASP 28 CO 0.00 -0.81 0.00 1.17 -1.61 0.00 0.00 179.24 177.99 1w4m n LYS 29 N -5.60 0.28 -4.18 0.28 3.00 -1.26 -5.05 118.16 105.63 1w4m n LYS 29 Ca -0.17 -0.54 -0.36 0.00 -0.00 0.00 0.00 58.31 57.25 1w4m n LYS 29 Cb 0.53 -0.74 -0.08 0.00 0.00 0.00 0.00 35.03 34.73 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 -0.19 3.20 -0.70 1.64 1.02 -1.26 -5.07 119.74 118.38 1w4m s LYS 30 Ca 0.00 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1w4m s LYS 30 Cb 0.00 -2.95 0.17 0.00 -0.52 0.00 0.00 37.83 34.53 1w4m s LYS 30 CO 0.00 0.70 0.51 0.42 -0.92 0.00 0.00 175.35 176.06 1w4m s ILE 31 N -0.85 3.45 -0.35 2.17 -1.09 -1.26 -1.25 121.20 122.01 1w4m s ILE 31 Ca 0.13 -3.65 -0.29 0.00 -2.23 0.00 0.00 60.65 54.62 1w4m s ILE 31 Cb -0.12 -3.24 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 1w4m s ILE 31 CO 0.03 -0.96 1.60 -0.36 -1.23 0.00 0.00 174.94 174.03 1w4m s PHE 32 N -0.85 2.11 -0.31 3.97 0.08 -0.42 -4.96 117.98 117.59 1w4m s PHE 32 Ca 0.22 0.64 -0.26 0.00 0.12 0.00 0.00 56.93 57.65 1w4m s PHE 32 Cb -0.14 -4.18 0.01 0.00 -0.57 0.00 0.00 43.02 38.14 1w4m s PHE 32 CO -0.09 -2.52 0.93 -0.80 -0.10 0.00 0.00 175.22 172.64 1w4m s ASN 33 N 4.89 6.80 -1.10 1.36 0.01 -1.26 -1.12 114.94 124.52 1w4m s ASN 33 Ca 0.71 0.86 -0.12 0.00 -0.71 0.00 0.00 52.86 53.59 1w4m s ASN 33 Cb -0.19 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 1w4m s ASN 33 CO 0.33 -0.74 0.86 1.41 -1.51 0.00 0.00 177.10 177.44 1w4m n HIS 34 N 6.52 -2.21 -3.34 2.20 8.25 -1.20 -2.48 115.22 122.97 1w4m n HIS 34 Ca 0.08 0.68 -0.38 0.00 -0.26 0.00 0.00 57.72 57.83 1w4m n HIS 34 Cb 0.48 -3.84 -0.06 0.00 1.12 0.00 0.00 29.99 27.68 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 2.20 -0.02 -3.93 0.00 -1.74 -0.99 -4.56 117.46 108.42 1w4m n PHE 36 Ca -0.10 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.50 1w4m n PHE 36 Cb 0.51 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.48 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 -1.99 5.36 0.40 1.97 -4.23 -1.26 -0.66 115.64 115.23 1w4m s THR 37 Ca 0.00 -0.54 0.15 0.00 -1.18 0.00 0.00 61.69 60.12 1w4m s THR 37 Cb 0.00 -3.69 0.14 0.00 1.34 0.00 0.00 72.50 70.30 1w4m s THR 37 CO 0.00 0.03 1.91 1.23 -0.54 0.00 0.00 174.62 177.25 1w4m h GLY 38 N 2.62 0.00 2.00 3.99 0.00 -1.61 -1.96 103.07 108.10 1w4m h GLY 38 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1w4m h GLY 38 CO 0.72 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.25 1w4m n ASN 39 N -4.14 0.72 -0.03 0.19 5.15 -1.26 -3.36 115.26 112.54 1w4m n ASN 39 Ca -0.02 0.62 -0.13 0.00 -0.60 0.00 0.00 54.58 54.45 1w4m n ASN 39 Cb 0.33 -0.79 -0.10 0.00 -0.53 0.00 0.00 39.78 38.69 1w4m n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1w4m h VAL 41 N -0.42 1.07 -0.22 0.00 2.07 -1.63 -0.88 116.25 116.23 1w4m h VAL 41 Ca 0.00 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1w4m h VAL 41 Cb 0.59 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1w4m h VAL 41 CO 0.01 0.09 -0.06 0.40 0.02 0.00 0.00 177.57 178.03 1w4m h ILE 42 N 0.23 1.29 -0.33 4.57 1.08 -1.59 -0.58 117.51 122.17 1w4m h ILE 42 Ca 0.06 -1.06 -0.09 0.00 -0.39 0.00 0.00 64.86 63.37 1w4m h ILE 42 Cb 0.06 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1w4m h ILE 42 CO -0.01 0.33 -0.18 0.44 -0.69 0.00 0.00 178.15 178.04 1w4m h ASP 43 N 0.16 0.61 0.19 1.72 5.19 -1.03 -0.94 116.42 122.32 1w4m h ASP 43 Ca 0.06 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.26 1w4m h ASP 43 Cb 0.52 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1w4m h ASP 43 CO 0.02 0.80 -0.09 -0.25 -3.12 0.00 0.00 179.24 176.60 1w4m h TRP 44 N 0.55 -0.24 -0.82 4.55 7.01 -1.08 0.27 115.95 126.19 1w4m h TRP 44 Ca 0.09 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.12 1w4m h TRP 44 Cb 0.62 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 1w4m h TRP 44 CO 0.03 0.11 0.52 -0.07 -2.79 0.00 0.00 178.44 176.24 1w4m h LEU 45 N -0.63 0.85 -1.04 0.65 4.07 -1.08 -1.49 115.31 116.65 1w4m h LEU 45 Ca -0.03 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.84 1w4m h LEU 45 Cb 0.46 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1w4m h LEU 45 CO 0.04 0.58 -0.32 0.58 -1.08 0.00 0.00 178.44 178.24 1w4m h VAL 46 N 1.00 1.27 0.00 1.22 2.07 -1.15 -2.01 116.25 118.66 1w4m h VAL 46 Ca 0.33 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1w4m h VAL 46 Cb 0.04 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1w4m h VAL 46 CO -0.12 0.40 0.00 -1.54 0.02 0.00 0.00 177.57 176.33 1w4m n SER 47 N -4.10 0.00 -0.61 0.57 3.41 0.08 -4.57 113.62 108.41 1w4m n SER 47 Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1w4m n SER 47 Cb 0.42 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1w4m n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1w4m n ASN 48 N -1.30 0.43 -0.75 4.04 5.03 -0.77 -5.02 115.26 116.92 1w4m n ASN 48 Ca 0.12 -0.30 0.13 0.00 0.87 0.00 0.00 54.58 55.40 1w4m n ASN 48 Cb 0.22 0.00 0.30 0.00 -1.02 0.00 0.00 39.78 39.28 1w4m n ASN 48 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1w4m n GLN 49 N -0.24 2.03 0.00 3.52 7.27 -1.26 -4.49 117.38 124.22 1w4m n GLN 49 Ca 0.00 -1.51 0.00 0.00 0.07 0.00 0.00 57.00 55.56 1w4m n GLN 49 Cb 0.00 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.18 1w4m n GLN 49 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1w4m n SER 50 N 0.81 0.00 -4.78 1.69 3.41 -1.25 -4.96 113.62 108.54 1w4m n SER 50 Ca 0.17 0.72 -0.28 0.00 -0.26 0.00 0.00 58.87 59.21 1w4m n SER 50 Cb 0.48 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1w4m n SER 50 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1w4m s VAL 51 N -1.89 1.71 0.10 -3.33 -7.23 -1.14 -5.06 120.40 103.56 1w4m s VAL 51 Ca 0.00 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1w4m s VAL 51 Cb 0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1w4m s VAL 51 CO 0.00 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.65 1w4m n ARG 52 N -1.36 0.00 -2.11 4.82 0.63 -1.26 -4.32 116.66 113.06 1w4m n ARG 52 Ca -0.08 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.56 1w4m n ARG 52 Cb 0.66 -0.37 0.02 0.00 0.45 0.00 0.00 32.46 33.22 1w4m n ARG 52 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1w4m s ASN 53 N -5.50 5.85 0.25 6.15 0.01 -1.26 -4.83 114.94 115.60 1w4m s ASN 53 Ca 0.00 1.10 -0.02 0.00 -0.71 0.00 0.00 52.86 53.24 1w4m s ASN 53 Cb 0.00 -2.10 0.30 0.00 0.41 0.00 0.00 41.25 39.85 1w4m s ASN 53 CO 0.00 -1.01 1.70 -0.09 -1.51 0.00 0.00 177.10 176.19 1w4m h ARG 54 N -0.31 0.71 -0.65 -0.60 2.43 -1.98 -2.67 114.38 111.30 1w4m h ARG 54 Ca -0.45 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.44 1w4m h ARG 54 Cb 1.23 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1w4m h ARG 54 CO 0.62 0.82 0.26 0.37 -1.51 0.00 0.00 179.97 180.53 1w4m h GLN 55 N 0.64 0.98 -0.24 0.20 4.15 -1.99 -1.60 115.11 117.25 1w4m h GLN 55 Ca 0.11 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1w4m h GLN 55 Cb 0.61 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1w4m h GLN 55 CO 0.04 0.82 0.16 0.93 -1.93 0.00 0.00 178.83 178.85 1w4m h GLU 56 N 0.92 0.31 0.00 1.69 5.08 -1.89 -1.80 114.58 118.90 1w4m h GLU 56 Ca 0.22 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1w4m h GLU 56 Cb 0.21 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1w4m h GLU 56 CO -0.02 0.20 -0.01 0.78 -1.00 0.00 0.00 179.01 178.97 1w4m h GLY 57 N 0.32 0.00 0.40 -3.84 0.00 -1.30 -2.75 103.07 95.90 1w4m h GLY 57 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1w4m h GLY 57 CO -0.03 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.50 1w4m h LEU 58 N 0.00 0.03 -0.39 3.11 6.46 -0.45 -1.72 115.31 122.35 1w4m h LEU 58 Ca -0.00 -0.62 -0.01 0.00 -0.12 0.00 0.00 57.88 57.13 1w4m h LEU 58 Cb 0.44 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1w4m h LEU 58 CO 0.00 0.64 0.19 0.00 -0.62 0.00 0.00 178.44 178.65 1w4m h MET 59 N -0.58 0.56 -0.07 1.25 -0.00 -1.35 -0.59 114.93 114.15 1w4m h MET 59 Ca -0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 59.70 59.62 1w4m h MET 59 Cb 0.64 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 1w4m h MET 59 CO 0.00 0.50 0.02 0.82 -0.00 0.00 0.00 176.91 178.25 1w4m h ILE 60 N 0.49 0.98 0.00 -0.10 1.08 -1.57 -1.60 117.51 116.80 1w4m h ILE 60 Ca 0.13 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.58 1w4m h ILE 60 Cb 0.12 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1w4m h ILE 60 CO -0.02 0.01 -0.04 0.00 -0.69 0.00 0.00 178.15 177.42 1w4m h ALA 61 N 1.04 1.90 -0.76 1.87 0.00 -1.15 -1.25 119.26 120.91 1w4m h ALA 61 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1w4m h ALA 61 Cb 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1w4m h ALA 61 CO -0.03 0.05 0.26 1.03 0.00 0.00 0.00 179.25 180.55 1w4m h SER 62 N 0.00 1.10 -0.10 0.00 0.87 -0.14 -2.16 113.55 113.12 1w4m h SER 62 Ca -0.00 -0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.28 1w4m h SER 62 Cb 0.07 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1w4m h SER 62 CO 0.00 1.00 -0.18 -1.28 -0.53 0.00 0.00 176.83 175.85 1w4m h SER 63 N 1.13 0.48 0.58 6.23 0.87 -0.73 -0.23 113.55 121.88 1w4m h SER 63 Ca 0.25 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1w4m h SER 63 Cb 0.28 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1w4m h SER 63 CO -0.01 0.68 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.44 1w4m h LEU 64 N 0.44 -1.20 -1.25 2.23 3.38 -0.99 -1.50 115.31 116.42 1w4m h LEU 64 Ca 0.07 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1w4m h LEU 64 Cb 0.57 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1w4m h LEU 64 CO 0.04 -0.65 -0.37 0.25 0.09 0.00 0.00 178.44 177.80 1w4m h LEU 65 N -1.01 0.00 -0.58 1.67 5.85 -1.44 -1.83 115.31 117.97 1w4m h LEU 65 Ca -0.07 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1w4m h LEU 65 Cb 0.85 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 1w4m h LEU 65 CO 0.01 0.37 0.35 -1.13 -0.34 0.00 0.00 178.44 177.70 1w4m h ASN 66 N 0.00 0.58 1.03 1.25 -1.24 -0.64 -1.01 115.58 115.55 1w4m h ASN 66 Ca -0.00 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1w4m h ASN 66 Cb 0.67 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 1w4m h ASN 66 CO 0.05 0.40 -0.13 -0.33 -1.29 0.00 0.00 177.43 176.14 1w4m h GLU 67 N 0.70 0.00 0.00 6.67 5.08 -1.11 -3.47 114.58 122.45 1w4m h GLU 67 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1w4m h GLU 67 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1w4m h GLU 67 CO -0.10 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.45 1w4m n GLY 68 N 0.17 1.34 0.22 -3.84 0.00 -0.38 -5.01 105.19 97.69 1w4m n GLY 68 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.90 -1.35 1.61 0.05 -1.51 -3.46 116.97 113.21 1w4m h TYR 69 Ca 0.00 -0.35 -0.45 0.00 0.05 0.00 0.00 58.73 57.98 1w4m h TYR 69 Cb 0.00 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 37.59 1w4m h TYR 69 CO 0.00 1.14 -0.26 -0.51 -1.05 0.00 0.00 178.16 177.48 1w4m s LEU 70 N -8.41 3.52 -0.24 3.88 2.01 -1.26 -4.83 118.68 113.35 1w4m s LEU 70 Ca -0.09 -0.55 -0.04 0.00 0.01 0.00 0.00 54.13 53.46 1w4m s LEU 70 Cb 0.10 -2.39 0.09 0.00 0.01 0.00 0.00 46.19 44.00 1w4m s LEU 70 CO 0.87 -0.82 0.14 -1.58 1.01 0.00 0.00 176.35 175.97 1w4m s GLN 71 N -4.35 0.16 0.59 1.70 0.74 -0.83 -4.90 119.66 112.77 1w4m s GLN 71 Ca 0.54 -0.29 -0.18 0.00 0.05 0.00 0.00 55.36 55.48 1w4m s GLN 71 Cb -0.08 -1.35 -0.09 0.00 1.10 0.00 0.00 33.01 32.59 1w4m s GLN 71 CO 0.32 -0.87 0.42 -0.35 -0.55 0.00 0.00 175.29 174.26 1w4m n PRO 72 N 5.27 0.40 -3.77 1.67 -0.04 -1.26 -2.15 135.00 135.12 1w4m n PRO 72 Ca -0.06 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1w4m n PRO 72 Cb 0.45 -1.62 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.79 -0.77 0.00 0.55 0.00 0.63 -4.83 121.76 115.55 1w4m s ALA 73 Ca 0.66 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1w4m s ALA 73 Cb -0.43 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1w4m s ALA 73 CO 0.57 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1w4m n GLY 74 N 1.83 0.29 0.07 0.00 0.00 -1.26 -2.05 105.19 104.07 1w4m n GLY 74 Ca -0.19 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.70 1w4m n GLY 74 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1w4m h ASP 75 N 0.00 0.05 0.88 1.61 3.04 -1.97 -3.10 116.42 116.92 1w4m h ASP 75 Ca 0.00 -0.05 -0.04 0.00 -3.24 0.00 0.00 57.03 53.70 1w4m h ASP 75 Cb 0.00 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 1w4m h ASP 75 CO 0.00 1.04 -0.49 -0.03 -2.04 0.00 0.00 179.24 177.72 1w4m h MET 76 N 0.01 -1.22 0.00 4.15 4.05 -1.83 0.43 114.93 120.52 1w4m h MET 76 Ca -0.04 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1w4m h MET 76 Cb 1.81 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 32.88 1w4m h MET 76 CO 0.13 -0.81 0.00 -1.13 0.23 0.00 0.00 176.91 175.33 1w4m n SER 77 N -5.64 0.28 0.07 1.39 3.41 -1.26 -1.75 113.62 110.13 1w4m n SER 77 Ca -0.16 0.58 0.03 0.00 -0.26 0.00 0.00 58.87 59.07 1w4m n SER 77 Cb 0.51 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.79 1w4m n SER 77 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1w4m h LYS 78 N 0.00 0.00 0.02 4.33 1.63 -1.29 -3.21 116.57 118.05 1w4m h LYS 78 Ca 0.00 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 1w4m h LYS 78 Cb 0.23 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.82 1w4m h LYS 78 CO 0.00 0.28 -1.50 1.03 -3.45 0.00 0.00 179.45 175.81 1w4m h SER 79 N 0.00 0.08 0.77 4.20 0.87 -0.08 -3.33 113.55 116.05 1w4m h SER 79 Ca -0.10 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.22 1w4m h SER 79 Cb 1.42 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 1w4m h SER 79 CO 0.04 1.11 -0.59 0.00 -0.53 0.00 0.00 176.83 176.86 1w4m h ALA 80 N 0.88 0.89 -0.11 6.23 0.00 -1.59 -2.95 119.26 122.62 1w4m h ALA 80 Ca -0.21 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1w4m h ALA 80 Cb 1.95 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1w4m h ALA 80 CO 0.11 0.73 0.00 1.33 0.00 0.00 0.00 179.25 181.42 1w4m n VAL 81 N -3.64 0.30 0.14 0.00 0.24 -1.21 -4.09 118.33 110.06 1w4m n VAL 81 Ca -0.01 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 1w4m n VAL 81 Cb 0.63 -0.19 -0.08 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.67 -0.31 0.00 -1.34 3.58 -1.67 -3.45 116.42 113.90 1w4m h ASP 82 Ca 0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1w4m h ASP 82 Cb 0.44 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1w4m h ASP 82 CO 0.04 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 1w4m n GLY 83 N -0.38 1.42 2.44 -0.78 0.00 -1.26 -4.91 105.19 101.72 1w4m n GLY 83 Ca -0.09 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1w4m n GLY 83 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1w4m n THR 84 N 0.00 4.44 -2.54 2.61 -1.04 -1.26 -4.67 114.28 111.82 1w4m n THR 84 Ca 0.00 -3.17 -0.33 0.00 -2.04 0.00 0.00 64.05 58.51 1w4m n THR 84 Cb 0.00 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.04 1w4m n THR 84 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1w4m n ALA 85 N 3.46 5.50 -0.26 2.41 0.00 -1.26 -4.83 120.51 125.53 1w4m n ALA 85 Ca 0.69 -4.47 0.33 0.00 0.00 0.00 0.00 53.44 50.00 1w4m n ALA 85 Cb 0.26 -1.29 0.73 0.00 0.00 0.00 0.00 19.45 19.16 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 3.17 0.00 -2.58 0.00 4.57 -1.93 -2.93 114.58 114.88 1w4m h GLU 86 Ca 0.36 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.94 1w4m h GLU 86 Cb 0.47 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.66 1w4m h GLU 86 CO 1.04 0.00 -0.78 0.27 -1.18 0.00 0.00 179.01 178.36 1w4m n ASN 87 N -4.10 1.52 -2.32 1.04 0.23 -1.26 -4.72 115.26 105.65 1w4m n ASN 87 Ca 0.23 -2.88 -0.30 0.00 -0.53 0.00 0.00 54.58 51.10 1w4m n ASN 87 Cb 1.17 -0.66 0.05 0.00 -2.08 0.00 0.00 39.78 38.27 1w4m n ASN 87 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1w4m n PRO 88 N 2.07 2.44 -1.70 -0.53 -0.04 -1.11 -4.96 135.00 131.18 1w4m n PRO 88 Ca 0.25 -2.79 -0.37 0.00 -0.04 0.00 0.00 63.50 60.55 1w4m n PRO 88 Cb 0.43 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 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 -3.15 1.24 -0.11 0.54 2.19 -1.26 -4.94 117.98 112.49 1w4m s PHE 89 Ca 0.54 1.33 -0.14 0.00 0.33 0.00 0.00 56.93 58.99 1w4m s PHE 89 Cb 0.42 -3.73 -0.05 0.00 -1.31 0.00 0.00 43.02 38.35 1w4m s PHE 89 CO -0.09 -2.48 0.32 -0.51 1.83 0.00 0.00 175.22 174.29 1w4m s LEU 90 N 11.26 4.33 -0.22 6.12 1.43 -1.26 -4.90 118.68 135.44 1w4m s LEU 90 Ca 0.89 0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1w4m s LEU 90 Cb -0.16 -2.42 0.15 0.00 0.03 0.00 0.00 46.19 43.79 1w4m s LEU 90 CO 0.25 0.19 1.98 -0.90 0.23 0.00 0.00 176.35 178.09 1w4m n ASP 91 N 2.92 6.00 -4.57 2.29 5.75 -1.26 -4.10 116.55 123.59 1w4m n ASP 91 Ca -0.13 -2.86 -0.30 0.00 -0.01 0.00 0.00 54.79 51.50 1w4m n ASP 91 Cb 0.52 -1.06 -0.10 0.00 -1.03 0.00 0.00 41.12 39.46 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 0.69 4.35 0.00 -1.12 0.01 -1.26 -4.13 114.94 113.48 1w4m s ASN 92 Ca 0.22 -0.39 0.18 0.00 -0.71 0.00 0.00 52.86 52.15 1w4m s ASN 92 Cb 0.17 -0.82 0.81 0.00 0.41 0.00 0.00 41.25 41.82 1w4m s ASN 92 CO -0.00 0.18 1.56 -0.81 -1.51 0.00 0.00 177.10 176.52 1w4m n PRO 93 N 0.75 0.09 0.09 -0.60 -0.04 -1.26 -2.82 135.00 131.20 1w4m n PRO 93 Ca -0.14 0.17 -0.17 0.00 -0.04 0.00 0.00 63.50 63.33 1w4m n PRO 93 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1w4m n PRO 93 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1w4m h ASP 94 N 0.00 0.58 -3.42 3.54 5.19 -1.95 -3.45 116.42 116.91 1w4m h ASP 94 Ca 0.00 -0.53 -0.54 0.00 -0.62 0.00 0.00 57.03 55.33 1w4m h ASP 94 Cb 0.26 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 1w4m h ASP 94 CO 0.00 1.37 0.11 0.00 -3.12 0.00 0.00 179.24 177.60 1w4m s ALA 95 N -2.97 3.48 0.13 3.45 0.00 -1.13 -4.63 121.76 120.10 1w4m s ALA 95 Ca -0.06 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1w4m s ALA 95 Cb 0.07 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1w4m s ALA 95 CO 0.89 0.29 -0.05 -0.06 0.00 0.00 0.00 175.76 176.83 1w4m s PHE 96 N -0.95 2.81 -0.25 0.00 0.08 -0.87 -3.14 117.98 115.67 1w4m s PHE 96 Ca 0.34 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.23 1w4m s PHE 96 Cb -0.22 -1.42 0.13 0.00 -0.57 0.00 0.00 43.02 40.95 1w4m s PHE 96 CO 0.23 0.48 0.37 0.71 -0.10 0.00 0.00 175.22 176.91 1w4m s TYR 97 N -1.47 -0.79 0.51 0.36 2.02 0.17 -0.27 117.35 117.88 1w4m s TYR 97 Ca 0.25 0.71 0.07 0.00 -0.37 0.00 0.00 57.07 57.73 1w4m s TYR 97 Cb -0.10 -0.04 0.07 0.00 -0.40 0.00 0.00 41.96 41.49 1w4m s TYR 97 CO 0.16 -0.74 0.61 2.48 -1.57 0.00 0.00 175.55 176.49 1w4m n TYR 98 N 5.36 -1.87 1.00 2.71 4.11 -0.91 -2.35 117.16 125.21 1w4m n TYR 98 Ca -0.03 -1.93 0.12 0.00 -0.00 0.00 0.00 57.90 56.06 1w4m n TYR 98 Cb 0.50 -0.46 0.10 0.00 -0.00 0.00 0.00 39.34 39.48 1w4m n TYR 98 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05