#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 -0.05 -2.67 3.38 -2.01 -2.90 115.31 111.06 1w4m h LEU 6 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1w4m h LEU 6 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1w4m h LEU 6 CO 0.00 0.63 -0.06 1.23 0.09 0.00 0.00 178.44 180.32 1w4m h GLY 7 N 1.99 0.14 0.98 0.83 0.00 -2.02 -1.94 103.07 103.04 1w4m h GLY 7 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.19 1w4m h GLY 7 CO 0.08 0.13 0.39 0.00 0.00 0.00 0.00 176.54 177.14 1w4m h ALA 8 N 0.52 0.76 -0.58 3.60 0.00 -2.00 -1.26 119.26 120.29 1w4m h ALA 8 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1w4m h ALA 8 Cb 0.59 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1w4m h ALA 8 CO 0.01 0.17 0.32 1.25 0.00 0.00 0.00 179.25 181.00 1w4m h LEU 9 N 0.79 0.73 -0.90 0.00 5.85 -1.55 -1.89 115.31 118.33 1w4m h LEU 9 Ca 0.22 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1w4m h LEU 9 Cb -0.07 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1w4m h LEU 9 CO -0.06 0.62 0.58 0.22 -0.34 0.00 0.00 178.44 179.46 1w4m h TYR 10 N 0.79 1.09 -0.29 1.25 3.20 -0.85 -1.07 116.97 121.08 1w4m h TYR 10 Ca 0.20 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1w4m h TYR 10 Cb 0.05 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 1w4m h TYR 10 CO -0.01 0.61 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.02 1w4m h LEU 11 N 1.11 0.43 -0.80 2.82 3.38 -0.71 -1.88 115.31 119.67 1w4m h LEU 11 Ca 0.37 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1w4m h LEU 11 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1w4m h LEU 11 CO -0.13 0.52 0.18 0.28 0.09 0.00 0.00 178.44 179.38 1w4m h SER 12 N 0.44 1.02 0.57 -0.43 0.02 -0.43 -2.18 113.55 112.56 1w4m h SER 12 Ca 0.09 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 1w4m h SER 12 Cb 0.34 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1w4m h SER 12 CO 0.01 0.97 -0.50 0.24 -1.14 0.00 0.00 176.83 176.42 1w4m h MET 13 N 1.04 0.00 0.00 3.45 2.86 -0.93 -2.42 114.93 118.93 1w4m h MET 13 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1w4m h MET 13 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1w4m h MET 13 CO -0.00 0.50 0.00 1.63 1.06 0.00 0.00 176.91 180.10 1w4m n LYS 14 N -3.85 0.04 -0.07 1.72 5.02 -0.76 -2.63 118.16 117.62 1w4m n LYS 14 Ca -0.01 0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 1w4m n LYS 14 Cb 0.53 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 -1.47 -1.46 0.00 4.39 2.03 -0.92 -5.01 116.55 114.11 1w4m n ASP 15 Ca 0.05 -0.40 0.00 0.00 0.52 0.00 0.00 54.79 54.95 1w4m n ASP 15 Cb 0.18 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.90 0.00 0.01 5.18 -2.24 -1.26 -4.53 114.28 108.54 1w4m n THR 16 Ca 0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 1w4m n THR 16 Cb 0.06 -0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.67 -0.78 4.81 -1.96 -3.37 114.58 112.79 1w4m h GLU 17 Ca 0.00 -0.31 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 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 0.96 0.36 0.87 -0.73 0.00 0.00 179.01 180.47 1w4m h LYS 18 N 0.05 0.64 0.00 1.92 1.79 -1.88 -3.43 116.57 115.66 1w4m h LYS 18 Ca -0.33 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 1w4m h LYS 18 Cb 2.02 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 1w4m h LYS 18 CO 0.10 0.42 0.00 0.41 -1.08 0.00 0.00 179.45 179.31 1w4m n GLY 19 N -1.29 1.24 0.00 3.86 0.00 -1.12 -4.92 105.19 102.96 1w4m n GLY 19 Ca 0.09 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.03 -0.61 -5.35 -1.08 -4.91 119.36 107.39 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 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.22 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 -1.50 2.26 -2.76 6.28 4.76 -1.26 -4.64 118.16 121.30 1w4m n LYS 21 Ca 0.00 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.42 1w4m n LYS 21 Cb 0.00 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.21 1w4m n LYS 21 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1w4m s GLU 22 N 0.07 0.51 -0.17 1.97 -1.05 -1.26 -4.98 118.70 113.79 1w4m s GLU 22 Ca 0.00 -0.43 0.01 0.00 -0.15 0.00 0.00 54.97 54.40 1w4m s GLU 22 Cb 0.00 -0.01 0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1w4m s GLU 22 CO 0.00 -0.65 -0.19 -0.51 0.95 0.00 0.00 175.26 174.86 1w4m s LEU 23 N 1.18 2.23 0.39 1.83 2.01 -1.26 -4.95 118.68 120.10 1w4m s LEU 23 Ca 0.23 -0.59 -0.26 0.00 0.01 0.00 0.00 54.13 53.52 1w4m s LEU 23 Cb 0.06 -1.50 -0.09 0.00 0.01 0.00 0.00 46.19 44.67 1w4m s LEU 23 CO -0.09 0.03 1.21 0.54 1.01 0.00 0.00 176.35 179.04 1w4m s ASN 24 N 1.12 6.56 0.00 2.29 2.20 -1.26 -1.95 114.94 123.90 1w4m s ASN 24 Ca 0.01 2.44 0.04 0.00 -0.94 0.00 0.00 52.86 54.41 1w4m s ASN 24 Cb -0.14 -2.62 -0.01 0.00 -2.00 0.00 0.00 41.25 36.47 1w4m s ASN 24 CO -0.08 -0.66 -0.13 -0.22 -2.94 0.00 0.00 177.10 173.08 1w4m s LEU 25 N -2.33 2.06 -0.10 3.54 0.20 -1.07 -4.90 118.68 116.08 1w4m s LEU 25 Ca 0.55 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 55.10 1w4m s LEU 25 Cb -0.33 -0.63 0.02 0.00 -0.43 0.00 0.00 46.19 44.82 1w4m s LEU 25 CO 0.42 0.12 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.79 1w4m s GLU 26 N -0.51 1.81 0.00 1.98 2.12 -1.26 -0.78 118.70 122.06 1w4m s GLU 26 Ca 0.04 -0.40 0.00 0.00 0.36 0.00 0.00 54.97 54.97 1w4m s GLU 26 Cb -0.06 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.67 1w4m s GLU 26 CO -0.00 -0.14 0.01 1.17 -0.54 0.00 0.00 175.26 175.75 1w4m n LYS 27 N 4.46 0.00 0.02 4.30 0.00 -0.90 -4.98 118.16 121.06 1w4m n LYS 27 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.14 1w4m n LYS 27 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.43 1w4m n LYS 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1w4m n ASP 28 N -0.07 0.45 0.00 3.14 2.03 -1.26 -4.91 116.55 115.93 1w4m n ASP 28 Ca 0.00 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1w4m n ASP 28 Cb 0.00 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.26 1w4m n ASP 28 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1w4m n LYS 29 N -3.20 2.05 -4.26 -0.67 3.00 -1.26 -5.06 118.16 108.75 1w4m n LYS 29 Ca 0.00 -0.08 -0.34 0.00 -0.00 0.00 0.00 58.31 57.89 1w4m n LYS 29 Cb 0.29 -0.41 -0.09 0.00 0.00 0.00 0.00 35.03 34.82 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 -0.32 2.95 -0.55 1.64 3.01 -1.26 -5.08 119.74 120.14 1w4m s LYS 30 Ca 0.00 -0.49 0.01 0.00 -1.01 0.00 0.00 55.97 54.48 1w4m s LYS 30 Cb 0.00 -2.78 0.14 0.00 -1.01 0.00 0.00 37.83 34.18 1w4m s LYS 30 CO 0.00 0.67 0.31 0.42 0.51 0.00 0.00 175.35 177.26 1w4m s ILE 31 N -1.03 3.03 0.61 2.17 -1.09 -1.26 -2.13 121.20 121.50 1w4m s ILE 31 Ca 0.18 -3.08 -0.17 0.00 -2.23 0.00 0.00 60.65 55.35 1w4m s ILE 31 Cb -0.12 -3.05 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1w4m s ILE 31 CO 0.08 -0.81 1.12 -0.36 -1.23 0.00 0.00 174.94 173.74 1w4m s PHE 32 N -0.08 2.61 0.00 3.97 0.08 0.04 -4.92 117.98 119.69 1w4m s PHE 32 Ca 0.16 1.55 0.03 0.00 0.12 0.00 0.00 56.93 58.79 1w4m s PHE 32 Cb -0.23 -3.24 -0.03 0.00 -0.57 0.00 0.00 43.02 38.95 1w4m s PHE 32 CO -0.02 -1.69 -0.04 -0.80 -0.10 0.00 0.00 175.22 172.57 1w4m s ASN 33 N -2.21 4.81 -1.24 1.36 -0.87 -1.26 -2.61 114.94 112.92 1w4m s ASN 33 Ca 0.70 -0.10 -0.07 0.00 -1.57 0.00 0.00 52.86 51.82 1w4m s ASN 33 Cb -0.22 -1.17 -0.01 0.00 -0.02 0.00 0.00 41.25 39.82 1w4m s ASN 33 CO 0.35 0.28 0.71 1.41 -2.57 0.00 0.00 177.10 177.29 1w4m n HIS 34 N 1.49 -1.93 -3.68 2.20 8.25 -1.26 -2.71 115.22 117.58 1w4m n HIS 34 Ca -0.15 0.71 -0.36 0.00 -0.26 0.00 0.00 57.72 57.66 1w4m n HIS 34 Cb 0.53 -3.97 -0.08 0.00 1.12 0.00 0.00 29.99 27.59 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 3.38 -0.04 -2.98 0.00 -1.74 -1.00 -4.24 117.46 110.83 1w4m n PHE 36 Ca -0.15 0.00 -0.18 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 41.54 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 -1.88 2.82 -0.06 1.97 -4.23 -1.26 -1.15 115.64 111.85 1w4m s THR 37 Ca 0.00 -0.97 -0.25 0.00 -1.18 0.00 0.00 61.69 59.29 1w4m s THR 37 Cb 0.00 -2.85 -0.25 0.00 1.34 0.00 0.00 72.50 70.75 1w4m s THR 37 CO 0.00 0.00 0.98 1.23 -0.54 0.00 0.00 174.62 176.29 1w4m h GLY 38 N 0.51 0.18 2.00 3.99 0.00 -1.43 -3.23 103.07 105.09 1w4m h GLY 38 Ca -0.38 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1w4m h GLY 38 CO 0.45 0.30 0.00 -0.57 0.00 0.00 0.00 176.54 176.72 1w4m h ASN 39 N -0.56 0.00 0.03 0.19 -1.24 -1.67 -2.71 115.58 109.62 1w4m h ASN 39 Ca -0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1w4m h ASN 39 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 1w4m h ASN 39 CO 0.05 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.18 1w4m h VAL 41 N -0.30 1.25 -0.43 0.00 2.07 -1.62 -1.59 116.25 115.64 1w4m h VAL 41 Ca -0.00 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1w4m h VAL 41 Cb 0.28 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1w4m h VAL 41 CO 0.01 0.35 0.12 0.40 0.02 0.00 0.00 177.57 178.48 1w4m h ILE 42 N 0.94 1.18 0.01 4.57 1.08 -1.55 -0.19 117.51 123.55 1w4m h ILE 42 Ca 0.20 -0.62 -0.25 0.00 -0.39 0.00 0.00 64.86 63.80 1w4m h ILE 42 Cb 0.37 0.72 0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1w4m h ILE 42 CO 0.00 0.23 -1.00 0.44 -0.69 0.00 0.00 178.15 177.13 1w4m h ASP 43 N 0.61 0.69 -0.16 1.72 5.19 -1.05 -2.31 116.42 121.11 1w4m h ASP 43 Ca 0.14 -0.56 -0.03 0.00 -0.62 0.00 0.00 57.03 55.96 1w4m h ASP 43 Cb 0.20 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 1w4m h ASP 43 CO -0.01 1.37 -0.03 -0.25 -3.12 0.00 0.00 179.24 177.20 1w4m h TRP 44 N 0.29 0.35 -0.56 4.55 7.01 -0.95 0.47 115.95 127.11 1w4m h TRP 44 Ca -0.10 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.81 1w4m h TRP 44 Cb 1.65 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 28.59 1w4m h TRP 44 CO 0.08 0.57 0.31 -0.07 -2.79 0.00 0.00 178.44 176.54 1w4m h LEU 45 N 0.03 0.70 -1.02 0.65 4.07 -1.12 -1.50 115.31 117.11 1w4m h LEU 45 Ca 0.04 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 1w4m h LEU 45 Cb 0.45 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 1w4m h LEU 45 CO 0.01 0.59 -0.16 0.58 -1.08 0.00 0.00 178.44 178.38 1w4m h VAL 46 N 0.76 1.24 0.00 1.22 2.07 -1.35 -2.23 116.25 117.97 1w4m h VAL 46 Ca 0.20 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1w4m h VAL 46 Cb 0.04 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1w4m h VAL 46 CO -0.03 0.36 -0.09 -1.28 0.02 0.00 0.00 177.57 176.54 1w4m h SER 47 N 0.47 0.00 -3.10 0.57 0.87 -0.40 -3.41 113.55 108.56 1w4m h SER 47 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1w4m h SER 47 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1w4m h SER 47 CO 0.04 0.09 0.00 0.59 -0.53 0.00 0.00 176.83 177.02 1w4m n ASN 48 N -3.20 0.00 -0.18 6.23 5.03 -0.61 -5.00 115.26 117.54 1w4m n ASN 48 Ca 0.01 -0.84 0.14 0.00 0.87 0.00 0.00 54.58 54.75 1w4m n ASN 48 Cb 0.39 0.00 0.51 0.00 -1.02 0.00 0.00 39.78 39.66 1w4m n ASN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1w4m n GLN 49 N -0.84 0.76 0.25 3.52 3.00 -1.26 -4.27 117.38 118.54 1w4m n GLN 49 Ca 0.00 -0.35 -0.10 0.00 -0.01 0.00 0.00 57.00 56.54 1w4m n GLN 49 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 28.70 1w4m n GLN 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1w4m h SER 50 N 0.86 -0.53 -2.75 1.08 4.64 -1.92 -3.47 113.55 111.47 1w4m h SER 50 Ca 0.00 0.02 -0.54 0.00 -0.47 0.00 0.00 61.79 60.80 1w4m h SER 50 Cb 0.42 0.14 -0.13 0.00 -0.31 0.00 0.00 62.40 62.52 1w4m h SER 50 CO 0.00 -0.38 -0.56 0.68 -0.87 0.00 0.00 176.83 175.70 1w4m s VAL 51 N -4.35 1.03 0.06 0.95 -7.23 -1.04 -5.04 120.40 104.78 1w4m s VAL 51 Ca -0.09 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1w4m s VAL 51 Cb 0.01 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1w4m s VAL 51 CO 0.28 0.00 0.00 -1.14 -0.31 0.00 0.00 175.10 173.93 1w4m n ARG 52 N -0.86 0.00 -2.40 4.82 0.00 -1.26 -4.15 116.66 112.81 1w4m n ARG 52 Ca -0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.48 1w4m n ARG 52 Cb 0.66 -0.44 -0.02 0.00 0.00 0.00 0.00 32.46 32.67 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 -5.44 6.46 0.30 6.15 0.01 -1.26 -4.81 114.94 116.35 1w4m s ASN 53 Ca 0.00 1.35 0.01 0.00 -0.71 0.00 0.00 52.86 53.51 1w4m s ASN 53 Cb 0.00 -2.42 0.46 0.00 0.41 0.00 0.00 41.25 39.70 1w4m s ASN 53 CO 0.00 -0.61 1.83 -0.09 -1.51 0.00 0.00 177.10 176.71 1w4m h ARG 54 N 0.61 0.69 -0.63 -0.60 2.43 -1.98 -2.52 114.38 112.38 1w4m h ARG 54 Ca -0.46 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 58.46 1w4m h ARG 54 Cb 1.19 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 1w4m h ARG 54 CO 0.62 0.68 0.03 1.96 -1.51 0.00 0.00 179.97 181.75 1w4m h GLN 55 N 0.65 1.09 -0.65 0.20 7.50 -1.97 -1.11 115.11 120.83 1w4m h GLN 55 Ca 0.14 -0.33 -0.03 0.00 0.50 0.00 0.00 58.65 58.93 1w4m h GLN 55 Cb 0.36 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.75 1w4m h GLN 55 CO 0.01 1.04 0.30 0.93 -1.50 0.00 0.00 178.83 179.61 1w4m h GLU 56 N 1.00 0.94 0.00 1.46 5.08 -1.86 -1.84 114.58 119.36 1w4m h GLU 56 Ca 0.18 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1w4m h GLU 56 Cb 0.53 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1w4m h GLU 56 CO 0.03 0.76 0.00 0.78 -1.00 0.00 0.00 179.01 179.58 1w4m h GLY 57 N 0.90 0.00 0.84 -3.84 0.00 -1.28 -2.81 103.07 96.87 1w4m h GLY 57 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.40 1w4m h GLY 57 CO -0.03 0.00 -0.57 -2.00 0.00 0.00 0.00 176.54 173.95 1w4m h LEU 58 N 0.00 0.58 -0.28 3.11 6.46 -0.39 -2.08 115.31 122.71 1w4m h LEU 58 Ca 0.00 -0.71 -0.14 0.00 -0.12 0.00 0.00 57.88 56.91 1w4m h LEU 58 Cb 0.65 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1w4m h LEU 58 CO 0.00 1.20 -0.37 0.00 -0.62 0.00 0.00 178.44 178.65 1w4m h MET 59 N 0.00 0.74 0.05 1.25 -0.00 -1.41 -1.93 114.93 113.63 1w4m h MET 59 Ca -0.06 -0.43 -0.00 0.00 -0.00 0.00 0.00 59.70 59.21 1w4m h MET 59 Cb 1.25 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 1w4m h MET 59 CO 0.11 1.05 -0.02 0.82 -0.00 0.00 0.00 176.91 178.87 1w4m h ILE 60 N 0.49 1.02 -0.13 -0.10 1.08 -1.59 -1.99 117.51 116.30 1w4m h ILE 60 Ca 0.03 -0.21 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1w4m h ILE 60 Cb 0.96 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 1w4m h ILE 60 CO 0.09 0.05 0.09 0.00 -0.69 0.00 0.00 178.15 177.69 1w4m h ALA 61 N 0.79 2.07 -0.80 1.87 0.00 -1.40 -0.38 119.26 121.41 1w4m h ALA 61 Ca -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1w4m h ALA 61 Cb 0.14 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1w4m h ALA 61 CO 0.01 -0.10 0.35 1.03 0.00 0.00 0.00 179.25 180.54 1w4m h SER 62 N 0.04 1.08 -0.09 0.00 0.87 -0.62 -1.83 113.55 113.00 1w4m h SER 62 Ca 0.06 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 1w4m h SER 62 Cb 0.18 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1w4m h SER 62 CO -0.00 0.94 -0.11 -1.28 -0.53 0.00 0.00 176.83 175.85 1w4m h SER 63 N 1.15 0.38 0.69 6.23 0.87 -0.56 0.07 113.55 122.39 1w4m h SER 63 Ca 0.27 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1w4m h SER 63 Cb 0.17 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1w4m h SER 63 CO -0.03 0.53 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.26 1w4m h LEU 64 N 0.38 -1.23 -1.15 2.23 3.38 -0.94 -0.85 115.31 117.14 1w4m h LEU 64 Ca 0.07 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1w4m h LEU 64 Cb 0.43 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1w4m h LEU 64 CO 0.02 -0.70 -0.28 0.25 0.09 0.00 0.00 178.44 177.82 1w4m h LEU 65 N -1.11 0.24 -1.51 1.67 5.85 -1.43 -1.17 115.31 117.85 1w4m h LEU 65 Ca -0.09 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1w4m h LEU 65 Cb 0.90 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1w4m h LEU 65 CO 0.06 0.52 0.03 -1.13 -0.34 0.00 0.00 178.44 177.59 1w4m h ASN 66 N 0.21 0.32 1.57 1.25 -0.73 -0.75 -1.08 115.58 116.38 1w4m h ASN 66 Ca 0.03 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1w4m h ASN 66 Cb 0.61 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.12 1w4m h ASN 66 CO 0.04 0.35 -0.19 -0.33 -0.37 0.00 0.00 177.43 176.94 1w4m h GLU 67 N 0.35 0.00 0.00 6.67 4.39 -0.78 -3.47 114.58 121.74 1w4m h GLU 67 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1w4m h GLU 67 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1w4m h GLU 67 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1w4m n GLY 68 N 1.21 1.08 0.11 -3.84 0.00 -0.41 -5.01 105.19 98.34 1w4m n GLY 68 Ca 0.04 0.00 -0.13 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 -0.16 -2.76 1.61 0.05 -1.41 -3.45 116.97 110.86 1w4m h TYR 69 Ca 0.00 -0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.32 1w4m h TYR 69 Cb 0.00 0.05 0.07 0.00 1.01 0.00 0.00 36.73 37.86 1w4m h TYR 69 CO 0.00 0.20 0.09 -0.51 -1.05 0.00 0.00 178.16 176.89 1w4m s LEU 70 N -9.46 3.04 -0.08 3.88 2.01 -1.25 -4.89 118.68 111.93 1w4m s LEU 70 Ca -0.15 -0.01 -0.02 0.00 0.01 0.00 0.00 54.13 53.96 1w4m s LEU 70 Cb 0.02 -2.61 0.04 0.00 0.01 0.00 0.00 46.19 43.66 1w4m s LEU 70 CO 0.61 -1.56 0.04 -1.58 1.01 0.00 0.00 176.35 174.88 1w4m s GLN 71 N -5.05 0.22 0.65 1.70 2.00 -0.76 -4.83 119.66 113.60 1w4m s GLN 71 Ca 0.62 0.15 -0.16 0.00 -2.00 0.00 0.00 55.36 53.97 1w4m s GLN 71 Cb -0.08 -1.01 -0.00 0.00 0.80 0.00 0.00 33.01 32.72 1w4m s GLN 71 CO 0.42 -0.40 1.15 -2.14 -0.50 0.00 0.00 175.29 173.83 1w4m s PRO 72 N 2.08 2.70 -0.15 1.67 0.02 -1.26 -1.36 135.00 138.70 1w4m s PRO 72 Ca 0.04 1.59 -0.09 0.00 0.02 0.00 0.00 61.00 62.56 1w4m s PRO 72 Cb -0.13 -1.92 0.05 0.00 0.02 0.00 0.00 34.50 32.52 1w4m s PRO 72 CO -0.05 -1.36 0.37 0.00 -0.33 0.00 0.00 177.00 175.63 1w4m s ALA 73 N -2.05 -0.93 0.00 -1.55 0.00 0.22 -4.86 121.76 112.59 1w4m s ALA 73 Ca 0.71 1.36 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1w4m s ALA 73 Cb -0.25 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1w4m s ALA 73 CO 0.39 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1w4m n GLY 74 N 4.10 1.66 0.12 0.00 0.00 -1.26 -1.70 105.19 108.11 1w4m n GLY 74 Ca -0.23 -2.22 -0.14 0.00 0.00 0.00 0.00 46.02 43.43 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 0.41 -0.14 1.61 3.58 -1.99 -3.10 116.42 116.79 1w4m h ASP 75 Ca 0.00 -0.41 -0.02 0.00 0.42 0.00 0.00 57.03 57.03 1w4m h ASP 75 Cb 0.00 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 1w4m h ASP 75 CO 0.00 1.28 0.03 -0.03 -2.88 0.00 0.00 179.24 177.64 1w4m h MET 76 N 0.11 0.23 0.00 0.28 4.05 -1.93 -2.63 114.93 115.04 1w4m h MET 76 Ca -0.11 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.23 1w4m h MET 76 Cb 1.84 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.61 1w4m h MET 76 CO 0.19 0.41 -0.09 0.66 0.23 0.00 0.00 176.91 178.30 1w4m h SER 77 N 0.02 0.00 -0.09 1.39 4.64 -1.81 -0.75 113.55 116.95 1w4m h SER 77 Ca 0.04 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.24 1w4m h SER 77 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1w4m h SER 77 CO 0.00 0.09 -0.33 0.50 -0.87 0.00 0.00 176.83 176.23 1w4m h LYS 78 N 0.00 0.58 0.00 4.77 3.64 -1.39 -2.81 116.57 121.36 1w4m h LYS 78 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1w4m h LYS 78 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1w4m h LYS 78 CO 0.01 0.83 -0.55 1.03 -2.27 0.00 0.00 179.45 178.51 1w4m h SER 79 N 0.49 0.00 0.07 4.20 0.87 -1.06 -3.28 113.55 114.83 1w4m h SER 79 Ca 0.06 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1w4m h SER 79 Cb 0.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1w4m h SER 79 CO 0.07 0.02 -0.03 0.00 -0.53 0.00 0.00 176.83 176.36 1w4m h ALA 80 N 2.15 -0.09 -0.05 6.23 0.00 -0.90 -2.20 119.26 124.40 1w4m h ALA 80 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1w4m h ALA 80 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1w4m h ALA 80 CO 0.00 -0.50 0.00 1.33 0.00 0.00 0.00 179.25 180.08 1w4m n VAL 81 N -5.08 0.06 0.00 0.00 0.24 -1.20 -3.68 118.33 108.67 1w4m n VAL 81 Ca -0.08 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1w4m n VAL 81 Cb 0.10 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.38 1w4m n VAL 81 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1w4m n ASP 82 N -0.46 0.00 0.00 -1.34 2.03 -0.85 -4.60 116.55 111.33 1w4m n ASP 82 Ca 0.16 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1w4m n ASP 82 Cb 0.16 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1w4m n ASP 82 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1w4m n GLY 83 N 2.35 -1.38 3.38 0.27 0.00 -1.09 -4.57 105.19 104.15 1w4m n GLY 83 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.31 4.95 -1.24 2.61 -4.23 -1.26 -4.86 115.64 111.30 1w4m s THR 84 Ca 0.00 -1.39 0.11 0.00 -1.18 0.00 0.00 61.69 59.23 1w4m s THR 84 Cb 0.00 -4.54 0.44 0.00 1.34 0.00 0.00 72.50 69.74 1w4m s THR 84 CO 0.00 -1.18 1.28 0.00 -0.54 0.00 0.00 174.62 174.18 1w4m n ALA 85 N 5.92 2.90 -0.04 3.99 0.00 -1.24 -4.25 120.51 127.79 1w4m n ALA 85 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 53.44 52.55 1w4m n ALA 85 Cb 0.44 -1.02 0.42 0.00 0.00 0.00 0.00 19.45 19.30 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 2.45 0.55 -3.59 0.00 4.81 -1.89 -3.34 114.58 113.58 1w4m h GLU 86 Ca 0.00 -0.03 -0.62 0.00 -0.13 0.00 0.00 59.36 58.58 1w4m h GLU 86 Cb 1.00 -0.12 -0.40 0.00 0.63 0.00 0.00 28.75 29.86 1w4m h GLU 86 CO 0.15 0.37 -0.73 0.54 -0.73 0.00 0.00 179.01 178.61 1w4m s ASN 87 N -6.55 4.10 0.04 1.04 2.20 -1.26 -5.01 114.94 109.49 1w4m s ASN 87 Ca -0.08 -2.24 -0.32 0.00 -0.94 0.00 0.00 52.86 49.28 1w4m s ASN 87 Cb 0.18 -1.17 -0.18 0.00 -2.00 0.00 0.00 41.25 38.07 1w4m s ASN 87 CO 0.74 -0.34 1.38 1.55 -2.94 0.00 0.00 177.10 177.50 1w4m h PRO 88 N 7.35 -1.06 -6.25 3.55 0.13 -1.84 -3.42 132.00 130.46 1w4m h PRO 88 Ca -0.07 0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.58 1w4m h PRO 88 Cb 0.97 0.24 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1w4m h PRO 88 CO 0.51 -0.70 0.85 0.12 -0.23 0.00 0.00 178.00 178.55 1w4m s PHE 89 N -5.43 2.87 0.26 1.56 2.19 -1.26 -4.88 117.98 113.28 1w4m s PHE 89 Ca -0.17 0.96 0.06 0.00 0.33 0.00 0.00 56.93 58.10 1w4m s PHE 89 Cb 0.02 -3.55 -0.03 0.00 -1.31 0.00 0.00 43.02 38.16 1w4m s PHE 89 CO 0.53 -1.93 0.35 -0.51 1.83 0.00 0.00 175.22 175.49 1w4m s LEU 90 N 2.96 4.13 -0.32 6.12 1.43 -1.26 -4.68 118.68 127.06 1w4m s LEU 90 Ca 0.58 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.71 1w4m s LEU 90 Cb -0.25 -2.72 0.60 0.00 0.03 0.00 0.00 46.19 43.85 1w4m s LEU 90 CO 0.20 -0.15 1.64 -0.90 0.23 0.00 0.00 176.35 177.38 1w4m n ASP 91 N -1.41 3.46 -4.83 2.29 5.75 -1.26 -4.18 116.55 116.38 1w4m n ASP 91 Ca -0.07 -3.52 -0.32 0.00 -0.01 0.00 0.00 54.79 50.88 1w4m n ASP 91 Cb 0.57 -0.70 -0.06 0.00 -1.03 0.00 0.00 41.12 39.91 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 -1.85 5.86 0.29 -1.12 -0.87 -1.26 -3.88 114.94 112.12 1w4m s ASN 92 Ca 0.49 0.14 0.13 0.00 -1.57 0.00 0.00 52.86 52.05 1w4m s ASN 92 Cb 0.42 -1.70 0.40 0.00 -0.02 0.00 0.00 41.25 40.35 1w4m s ASN 92 CO 0.07 0.21 1.62 1.55 -2.57 0.00 0.00 177.10 177.98 1w4m h PRO 93 N 3.54 0.00 -0.17 -0.60 0.13 -1.96 -2.96 132.00 129.98 1w4m h PRO 93 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1w4m h PRO 93 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1w4m h PRO 93 CO 0.68 0.57 0.10 -0.44 -0.23 0.00 0.00 178.00 178.68 1w4m h ASP 94 N 0.00 0.20 -2.77 1.44 5.19 -1.99 -3.42 116.42 115.08 1w4m h ASP 94 Ca -0.01 -0.05 -0.54 0.00 -0.62 0.00 0.00 57.03 55.82 1w4m h ASP 94 Cb 1.09 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1w4m h ASP 94 CO 0.07 0.19 0.95 0.00 -3.12 0.00 0.00 179.24 177.33 1w4m s ALA 95 N -6.02 3.63 0.18 3.45 0.00 -1.22 -4.95 121.76 116.83 1w4m s ALA 95 Ca -0.13 1.00 -0.06 0.00 0.00 0.00 0.00 51.96 52.76 1w4m s ALA 95 Cb 0.08 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 1w4m s ALA 95 CO 0.69 -1.09 0.45 -0.06 0.00 0.00 0.00 175.76 175.75 1w4m s PHE 96 N 2.86 3.45 -0.27 0.00 0.08 -0.69 -3.04 117.98 120.38 1w4m s PHE 96 Ca 0.69 0.67 -0.01 0.00 0.12 0.00 0.00 56.93 58.41 1w4m s PHE 96 Cb -0.35 -2.10 0.14 0.00 -0.57 0.00 0.00 43.02 40.14 1w4m s PHE 96 CO 0.29 0.36 0.33 0.71 -0.10 0.00 0.00 175.22 176.81 1w4m s TYR 97 N -1.74 -0.65 0.17 0.36 2.02 -0.30 -0.61 117.35 116.60 1w4m s TYR 97 Ca 0.44 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.39 1w4m s TYR 97 Cb -0.12 -0.26 0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1w4m s TYR 97 CO 0.24 -0.85 0.19 2.48 -1.57 0.00 0.00 175.55 176.04 1w4m n TYR 98 N 5.33 -2.11 0.72 2.71 4.11 -0.46 -2.37 117.16 125.09 1w4m n TYR 98 Ca -0.02 -0.67 0.09 0.00 -0.00 0.00 0.00 57.90 57.29 1w4m n TYR 98 Cb 0.48 -0.15 0.07 0.00 -0.00 0.00 0.00 39.34 39.74 1w4m n TYR 98 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05