#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh4 s VAL 4 N 0.00 3.29 0.15 0.00 -7.23 -1.26 -4.99 120.40 110.36 1sh4 s VAL 4 Ca 0.00 0.58 -0.09 0.00 -1.81 0.00 0.00 61.98 60.66 1sh4 s VAL 4 Cb 0.00 -3.10 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 1sh4 s VAL 4 CO 0.00 -0.39 1.48 0.50 -0.31 0.00 0.00 175.10 176.38 1sh4 h LYS 5 N -0.06 0.85 -2.53 4.82 3.64 -1.96 -3.50 116.57 117.83 1sh4 h LYS 5 Ca -0.46 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 58.47 1sh4 h LYS 5 Cb 1.24 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1sh4 h LYS 5 CO 0.54 1.11 -0.69 0.66 -2.27 0.00 0.00 179.45 178.81 1sh4 n TYR 6 N -4.03 -2.90 -3.69 1.91 4.01 -1.26 -5.02 117.16 106.18 1sh4 n TYR 6 Ca -0.03 1.57 -0.18 0.00 -0.16 0.00 0.00 57.90 59.11 1sh4 n TYR 6 Cb 0.57 -2.60 -0.17 0.00 -0.31 0.00 0.00 39.34 36.83 1sh4 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1sh4 s TYR 7 N -4.85 -0.04 0.47 -0.72 2.02 0.53 -4.89 117.35 109.87 1sh4 s TYR 7 Ca 0.00 0.37 -0.24 0.00 -0.37 0.00 0.00 57.07 56.84 1sh4 s TYR 7 Cb 0.00 -0.35 -0.07 0.00 -0.40 0.00 0.00 41.96 41.14 1sh4 s TYR 7 CO 0.00 -0.20 1.28 0.95 -1.57 0.00 0.00 175.55 176.01 1sh4 s THR 8 N 2.00 2.60 0.54 -0.71 -4.23 -1.26 -3.45 115.64 111.13 1sh4 s THR 8 Ca 0.02 0.48 0.29 0.00 -1.18 0.00 0.00 61.69 61.30 1sh4 s THR 8 Cb -0.12 -3.26 0.45 0.00 1.34 0.00 0.00 72.50 70.91 1sh4 s THR 8 CO -0.04 0.02 1.92 0.25 -0.54 0.00 0.00 174.62 176.23 1sh4 h LEU 9 N 2.07 0.00 -0.43 4.79 5.85 -1.96 0.60 115.31 126.23 1sh4 h LEU 9 Ca -0.50 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.31 1sh4 h LEU 9 Cb 1.26 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1sh4 h LEU 9 CO 0.60 0.00 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.41 1sh4 h GLU 10 N 0.00 -0.12 0.28 1.25 4.81 -1.96 0.43 114.58 119.27 1sh4 h GLU 10 Ca 0.35 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1sh4 h GLU 10 Cb 1.43 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.84 1sh4 h GLU 10 CO -0.00 -0.08 -0.13 1.49 -0.73 0.00 0.00 179.01 179.55 1sh4 h GLU 11 N -0.12 -0.36 -0.96 1.92 4.57 -0.25 -3.14 114.58 116.23 1sh4 h GLU 11 Ca 0.21 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.60 1sh4 h GLU 11 Cb 0.45 0.08 -0.11 0.00 -0.16 0.00 0.00 28.75 29.01 1sh4 h GLU 11 CO -0.51 -0.07 0.55 0.82 -1.18 0.00 0.00 179.01 178.62 1sh4 h ILE 12 N -0.65 0.66 -0.36 2.32 2.04 -0.61 0.18 117.51 121.09 1sh4 h ILE 12 Ca -0.04 -0.23 0.11 0.00 1.00 0.00 0.00 64.86 65.70 1sh4 h ILE 12 Cb 0.46 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1sh4 h ILE 12 CO 0.06 0.12 0.33 1.56 0.00 0.00 0.00 178.15 180.22 1sh4 h GLN 13 N 0.67 0.00 0.00 2.37 1.08 -0.10 -0.83 115.11 118.30 1sh4 h GLN 13 Ca 0.56 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.76 1sh4 h GLN 13 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1sh4 h GLN 13 CO -0.41 0.00 -0.28 0.87 -0.95 0.00 0.00 178.83 178.06 1sh4 h LYS 14 N 0.00 0.00 -3.58 1.46 1.57 -0.68 -3.41 116.57 111.93 1sh4 h LYS 14 Ca 0.17 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 58.17 1sh4 h LYS 14 Cb 0.82 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.85 1sh4 h LYS 14 CO -0.00 0.00 0.32 -1.01 -0.57 0.00 0.00 179.45 178.18 1sh4 s HIS 15 N -3.25 4.14 -0.41 -1.35 3.76 -0.32 -4.76 115.29 113.11 1sh4 s HIS 15 Ca 0.05 -2.62 0.08 0.00 -0.15 0.00 0.00 55.06 52.42 1sh4 s HIS 15 Cb 0.07 -3.75 0.36 0.00 1.11 0.00 0.00 32.58 30.36 1sh4 s HIS 15 CO 0.70 -0.93 1.30 0.27 -0.85 0.00 0.00 174.74 175.23 1sh4 n ASN 16 N 2.87 -1.95 0.00 1.40 0.23 -0.84 -0.40 115.26 116.56 1sh4 n ASN 16 Ca 0.22 -2.65 0.00 0.00 -0.53 0.00 0.00 54.58 51.61 1sh4 n ASN 16 Cb 0.40 1.19 0.00 0.00 -2.08 0.00 0.00 39.78 39.30 1sh4 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1sh4 n ASN 17 N -0.40 0.01 -0.36 0.53 2.85 0.20 -4.95 115.26 113.13 1sh4 n ASN 17 Ca -0.02 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.53 1sh4 n ASN 17 Cb 0.81 0.00 0.17 0.00 1.24 0.00 0.00 39.78 42.00 1sh4 n ASN 17 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1sh4 n SER 18 N 0.00 2.86 -0.07 1.20 7.64 -1.26 -4.30 113.62 119.70 1sh4 n SER 18 Ca 0.00 -2.95 -0.08 0.00 1.01 0.00 0.00 58.87 56.85 1sh4 n SER 18 Cb 0.00 -0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.72 1sh4 n SER 18 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sh4 h LYS 19 N 0.68 0.00 -3.34 1.43 1.79 -1.96 -3.48 116.57 111.69 1sh4 h LYS 19 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 1sh4 h LYS 19 Cb 1.10 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.60 1sh4 h LYS 19 CO 0.07 0.39 -0.21 -1.12 -1.08 0.00 0.00 179.45 177.50 1sh4 s SER 20 N -5.95 -0.14 -0.44 0.86 0.01 -1.26 -5.03 113.70 101.74 1sh4 s SER 20 Ca -0.12 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1sh4 s SER 20 Cb 0.01 0.39 0.13 0.00 0.21 0.00 0.00 66.02 66.75 1sh4 s SER 20 CO 0.30 -0.68 0.22 -0.89 0.41 0.00 0.00 173.24 172.60 1sh4 s THR 21 N -2.94 1.69 0.65 1.44 2.01 -1.26 -0.63 115.64 116.60 1sh4 s THR 21 Ca -0.02 -2.62 -0.10 0.00 0.31 0.00 0.00 61.69 59.26 1sh4 s THR 21 Cb 0.00 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1sh4 s THR 21 CO -0.06 -0.83 1.02 0.26 -0.69 0.00 0.00 174.62 174.32 1sh4 s TRP 22 N 0.35 3.39 0.25 4.92 0.52 0.46 -0.92 118.94 127.91 1sh4 s TRP 22 Ca 0.16 1.00 -0.20 0.00 0.02 0.00 0.00 56.10 57.09 1sh4 s TRP 22 Cb -0.24 -2.88 0.02 0.00 -1.15 0.00 0.00 33.47 29.22 1sh4 s TRP 22 CO -0.02 -0.95 0.65 -0.48 0.02 0.00 0.00 176.95 176.17 1sh4 s LEU 23 N -5.21 -0.19 -0.13 2.99 2.34 2.97 -0.04 118.68 121.40 1sh4 s LEU 23 Ca 0.56 -0.55 0.01 0.00 0.06 0.00 0.00 54.13 54.21 1sh4 s LEU 23 Cb -0.11 2.53 -0.01 0.00 -0.56 0.00 0.00 46.19 48.04 1sh4 s LEU 23 CO 0.50 -1.24 -0.16 -0.63 -1.06 0.00 0.00 176.35 173.77 1sh4 s ILE 24 N -3.90 2.73 -0.38 1.48 1.01 -1.08 -0.33 121.20 120.73 1sh4 s ILE 24 Ca 0.11 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1sh4 s ILE 24 Cb -0.04 -2.13 0.11 0.00 0.01 0.00 0.00 42.46 40.41 1sh4 s ILE 24 CO 0.03 0.53 0.14 -0.76 0.00 0.00 0.00 174.94 174.88 1sh4 s LEU 25 N 0.53 3.53 -0.49 2.97 1.43 -0.51 -0.46 118.68 125.69 1sh4 s LEU 25 Ca -0.10 -2.25 -0.02 0.00 -1.03 0.00 0.00 54.13 50.73 1sh4 s LEU 25 Cb -0.16 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1sh4 s LEU 25 CO 0.04 -0.34 0.43 1.41 0.23 0.00 0.00 176.35 178.12 1sh4 n HIS 26 N 4.09 -1.13 0.00 0.29 8.25 -1.26 -3.40 115.22 122.06 1sh4 n HIS 26 Ca 0.03 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 1sh4 n HIS 26 Cb 0.39 -3.27 0.00 0.00 1.12 0.00 0.00 29.99 28.23 1sh4 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sh4 n TYR 27 N -2.31 0.00 -2.67 4.41 4.01 -1.26 -4.97 117.16 114.37 1sh4 n TYR 27 Ca -0.04 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.33 1sh4 n TYR 27 Cb 0.56 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.41 1sh4 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1sh4 s LYS 28 N 0.00 4.42 -0.06 -0.72 1.02 -1.22 -0.62 119.74 122.57 1sh4 s LYS 28 Ca 0.00 1.42 -0.05 0.00 0.02 0.00 0.00 55.97 57.36 1sh4 s LYS 28 Cb 0.00 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 1sh4 s LYS 28 CO 0.00 0.11 0.17 0.08 -0.92 0.00 0.00 175.35 174.79 1sh4 s VAL 29 N -1.62 5.46 -0.15 3.17 1.01 0.55 -1.42 120.40 127.41 1sh4 s VAL 29 Ca 0.53 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1sh4 s VAL 29 Cb -0.20 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1sh4 s VAL 29 CO 0.26 0.48 0.04 -0.31 0.00 0.00 0.00 175.10 175.57 1sh4 s TYR 30 N -1.17 0.64 -0.29 5.22 1.51 0.55 -0.85 117.35 122.96 1sh4 s TYR 30 Ca 0.21 -0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 55.71 1sh4 s TYR 30 Cb -0.12 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1sh4 s TYR 30 CO 0.11 -0.49 0.16 0.34 -1.11 0.00 0.00 175.55 174.57 1sh4 s ASP 31 N 1.98 5.68 -0.00 2.29 -1.08 0.23 -0.73 116.67 125.04 1sh4 s ASP 31 Ca 0.02 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.76 1sh4 s ASP 31 Cb -0.15 -2.04 0.01 0.00 -1.46 0.00 0.00 42.92 39.27 1sh4 s ASP 31 CO -0.07 -0.13 0.82 0.18 0.52 0.00 0.00 175.17 176.49 1sh4 n LEU 32 N 5.01 1.25 -0.56 -1.34 4.77 -0.10 -4.78 117.00 121.26 1sh4 n LEU 32 Ca -0.14 -1.27 0.45 0.00 -0.03 0.00 0.00 56.01 55.02 1sh4 n LEU 32 Cb 0.51 -0.01 0.69 0.00 -2.33 0.00 0.00 43.42 42.28 1sh4 n LEU 32 CO 0.33 0.32 1.38 0.41 -1.33 0.00 0.00 177.39 178.51 1sh4 n THR 33 N -0.33 0.00 -0.09 -5.08 -1.04 -1.26 0.23 114.28 106.72 1sh4 n THR 33 Ca 0.00 1.38 -0.23 0.00 -2.04 0.00 0.00 64.05 63.17 1sh4 n THR 33 Cb 0.35 -2.35 -0.12 0.00 -1.82 0.00 0.00 70.33 66.40 1sh4 n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1sh4 n LYS 34 N -3.67 0.63 -0.30 -2.82 4.76 -1.26 -4.38 118.16 111.12 1sh4 n LYS 34 Ca 0.38 0.38 0.25 0.00 -2.87 0.00 0.00 58.31 56.45 1sh4 n LYS 34 Cb 1.84 -1.66 0.58 0.00 -1.84 0.00 0.00 35.03 33.94 1sh4 n LYS 34 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1sh4 h PHE 35 N -0.61 0.45 -0.44 2.13 3.57 -0.60 0.20 116.94 121.64 1sh4 h PHE 35 Ca -0.47 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.10 1sh4 h PHE 35 Cb 1.63 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 40.17 1sh4 h PHE 35 CO 0.05 0.05 -0.22 1.28 -2.23 0.00 0.00 178.31 177.24 1sh4 n LEU 36 N -4.49 -0.39 0.16 0.59 4.77 -0.64 -0.33 117.00 116.67 1sh4 n LEU 36 Ca 0.24 0.78 0.08 0.00 -0.03 0.00 0.00 56.01 57.08 1sh4 n LEU 36 Cb 0.93 -0.13 0.58 0.00 -2.33 0.00 0.00 43.42 42.46 1sh4 n LEU 36 CO 0.30 -0.67 1.11 -0.33 -1.33 0.00 0.00 177.39 176.47 1sh4 h GLU 37 N 0.00 0.17 0.02 3.23 5.08 -0.85 -3.23 114.58 119.00 1sh4 h GLU 37 Ca 0.11 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.07 1sh4 h GLU 37 Cb 0.22 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1sh4 h GLU 37 CO -0.43 0.11 -2.20 -1.91 -1.00 0.00 0.00 179.01 173.58 1sh4 n GLU 38 N -4.51 0.63 -1.69 2.33 4.07 0.55 -5.01 120.64 117.01 1sh4 n GLU 38 Ca 0.00 0.29 -0.55 0.00 -0.06 0.00 0.00 57.16 56.84 1sh4 n GLU 38 Cb 0.13 -1.58 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 1sh4 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1sh4 n HIS 39 N -3.86 2.07 0.27 4.31 -0.00 0.35 -4.88 115.22 113.48 1sh4 n HIS 39 Ca -0.44 0.43 0.13 0.00 0.46 0.00 0.00 57.72 58.30 1sh4 n HIS 39 Cb 0.91 -2.49 0.77 0.00 -0.12 0.00 0.00 29.99 29.05 1sh4 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sh4 h PRO 40 N 7.37 0.00 0.00 1.57 0.13 -1.91 0.14 132.00 139.29 1sh4 h PRO 40 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1sh4 h PRO 40 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1sh4 h PRO 40 CO 0.94 0.09 -0.03 0.78 -0.23 0.00 0.00 178.00 179.56 1sh4 h GLY 41 N 0.71 0.00 0.00 1.56 0.00 -1.96 -3.49 103.07 99.89 1sh4 h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sh4 h GLY 41 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1sh4 n GLY 42 N -1.00 1.44 0.09 4.60 0.00 0.48 -4.44 105.19 106.35 1sh4 n GLY 42 Ca -0.02 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 1sh4 n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sh4 h GLU 43 N 0.00 -0.08 -0.12 1.61 5.08 -1.79 -3.35 114.58 115.93 1sh4 h GLU 43 Ca 0.00 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1sh4 h GLU 43 Cb 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1sh4 h GLU 43 CO 0.00 0.51 -0.14 0.93 -1.00 0.00 0.00 179.01 179.32 1sh4 h GLU 44 N -0.86 0.18 -0.20 2.33 4.39 -1.91 0.98 114.58 119.50 1sh4 h GLU 44 Ca -0.01 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1sh4 h GLU 44 Cb 0.63 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1sh4 h GLU 44 CO 0.01 0.33 -0.19 1.25 -1.16 0.00 0.00 179.01 179.25 1sh4 h HIS 45 N 0.18 0.37 -0.08 4.33 2.76 -1.78 0.24 115.15 121.17 1sh4 h HIS 45 Ca 0.04 -0.06 -0.25 0.00 -2.20 0.00 0.00 60.37 57.90 1sh4 h HIS 45 Cb 0.35 -0.10 0.02 0.00 1.55 0.00 0.00 27.41 29.23 1sh4 h HIS 45 CO 0.00 0.52 -0.91 -0.07 -1.30 0.00 0.00 177.93 176.17 1sh4 h LEU 46 N 0.32 0.93 -0.39 0.26 3.38 -1.10 -3.34 115.31 115.37 1sh4 h LEU 46 Ca 0.06 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1sh4 h LEU 46 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sh4 h LEU 46 CO 0.03 1.48 0.03 -0.09 0.09 0.00 0.00 178.44 179.99 1sh4 h ARG 47 N 0.47 0.67 -0.85 1.13 9.65 -0.22 0.24 114.38 125.47 1sh4 h ARG 47 Ca -0.09 -0.20 0.18 0.00 -1.10 0.00 0.00 59.98 58.77 1sh4 h ARG 47 Cb 1.55 -0.07 -0.16 0.00 -1.39 0.00 0.00 29.97 29.90 1sh4 h ARG 47 CO 0.18 0.74 -0.17 1.49 2.80 0.00 0.00 179.97 185.01 1sh4 h GLU 48 N 0.50 0.01 0.03 0.20 4.57 -0.70 -1.32 114.58 117.86 1sh4 h GLU 48 Ca 0.11 -0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.02 1sh4 h GLU 48 Cb 0.42 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1sh4 h GLU 48 CO 0.01 0.01 -1.09 1.96 -1.18 0.00 0.00 179.01 178.72 1sh4 h GLN 49 N 0.01 0.68 -6.32 1.92 1.08 -1.52 -3.49 115.11 107.47 1sh4 h GLN 49 Ca 0.42 -0.77 -0.60 0.00 -1.45 0.00 0.00 58.65 56.26 1sh4 h GLN 49 Cb 0.68 0.23 0.16 0.00 -0.05 0.00 0.00 27.48 28.50 1sh4 h GLN 49 CO -0.86 1.34 -0.57 0.00 -0.95 0.00 0.00 178.83 177.78 1sh4 n ALA 50 N -2.65 -1.73 0.00 3.87 0.00 0.80 -3.52 120.51 117.28 1sh4 n ALA 50 Ca -0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1sh4 n ALA 50 Cb 0.91 -1.71 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1sh4 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sh4 n GLY 51 N 1.95 0.30 0.00 0.00 0.00 0.94 -4.77 105.19 103.62 1sh4 n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1sh4 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh4 n GLY 52 N -1.79 -1.23 0.00 -0.02 0.00 -1.23 -3.22 105.19 97.70 1sh4 n GLY 52 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1sh4 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sh4 n ASP 53 N 2.19 0.00 -0.94 1.61 -0.08 -1.25 -3.24 116.55 114.84 1sh4 n ASP 53 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1sh4 n ASP 53 Cb 0.00 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.48 1sh4 n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sh4 n ALA 54 N 0.37 2.21 0.13 -1.67 0.00 0.40 -4.76 120.51 117.19 1sh4 n ALA 54 Ca 0.00 -1.71 -0.13 0.00 0.00 0.00 0.00 53.44 51.60 1sh4 n ALA 54 Cb 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1sh4 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sh4 h THR 55 N 6.68 0.79 0.01 0.00 2.02 -1.88 0.25 112.91 120.77 1sh4 h THR 55 Ca -0.10 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.50 1sh4 h THR 55 Cb 1.61 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1sh4 h THR 55 CO 0.05 0.13 -0.27 -0.08 0.37 0.00 0.00 175.52 175.71 1sh4 h GLU 56 N -0.67 -0.40 -0.33 6.66 4.81 -1.91 -1.18 114.58 121.55 1sh4 h GLU 56 Ca -0.04 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1sh4 h GLU 56 Cb 0.47 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1sh4 h GLU 56 CO 0.06 -0.27 0.12 -0.91 -0.73 0.00 0.00 179.01 177.28 1sh4 h ASN 57 N -0.41 0.41 1.20 1.04 4.21 -1.91 0.22 115.58 120.34 1sh4 h ASN 57 Ca 0.06 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1sh4 h ASN 57 Cb 0.50 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 1sh4 h ASN 57 CO -0.23 0.39 0.00 0.15 -1.29 0.00 0.00 177.43 176.45 1sh4 h PHE 58 N 0.46 0.00 0.00 1.19 3.57 0.09 -3.30 116.94 118.95 1sh4 h PHE 58 Ca 0.11 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1sh4 h PHE 58 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1sh4 h PHE 58 CO 0.00 0.00 -1.27 -1.91 -2.23 0.00 0.00 178.31 172.90 1sh4 n GLU 59 N -2.95 0.12 0.22 1.11 4.07 -0.50 -3.05 120.64 119.65 1sh4 n GLU 59 Ca 0.02 0.03 -0.12 0.00 -0.06 0.00 0.00 57.16 57.03 1sh4 n GLU 59 Cb 0.35 -0.98 -0.07 0.00 -0.06 0.00 0.00 31.44 30.68 1sh4 n GLU 59 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1sh4 h ASP 60 N -0.05 -0.90 -0.30 4.31 3.58 -0.79 -2.51 116.42 119.76 1sh4 h ASP 60 Ca -0.11 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.42 1sh4 h ASP 60 Cb 1.15 0.29 -0.02 0.00 1.72 0.00 0.00 39.33 42.46 1sh4 h ASP 60 CO -0.03 -0.46 0.15 0.58 -2.88 0.00 0.00 179.24 176.59 1sh4 h VAL 61 N -0.70 0.99 -0.79 2.25 2.07 -1.75 -3.49 116.25 114.83 1sh4 h VAL 61 Ca -0.05 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.44 1sh4 h VAL 61 Cb 0.60 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1sh4 h VAL 61 CO -0.01 0.06 -0.29 0.61 0.02 0.00 0.00 177.57 177.96 1sh4 n GLY 62 N -1.19 -2.75 0.00 2.17 0.00 -0.95 -5.08 105.19 97.40 1sh4 n GLY 62 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1sh4 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sh4 n HIS 63 N -2.56 0.00 0.00 1.61 8.25 -1.23 -4.83 115.22 116.46 1sh4 n HIS 63 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1sh4 n HIS 63 Cb 0.16 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1sh4 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1sh4 n SER 64 N -0.92 0.00 -0.23 0.41 7.64 -1.26 0.66 113.62 119.92 1sh4 n SER 64 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1sh4 n SER 64 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1sh4 n SER 64 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1sh4 h THR 65 N 0.00 0.16 -0.50 0.44 1.35 -2.02 -0.81 112.91 111.54 1sh4 h THR 65 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 1sh4 h THR 65 Cb 0.00 0.16 -0.08 0.00 -1.73 0.00 0.00 68.15 66.50 1sh4 h THR 65 CO 0.00 0.00 -0.21 -0.67 -0.25 0.00 0.00 175.52 174.39 1sh4 n ASP 66 N -5.44 -0.35 -0.08 5.36 -0.08 -1.26 -0.11 116.55 114.59 1sh4 n ASP 66 Ca 0.05 0.87 -0.13 0.00 -1.51 0.00 0.00 54.79 54.08 1sh4 n ASP 66 Cb 0.36 -0.18 -0.00 0.00 2.34 0.00 0.00 41.12 43.63 1sh4 n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sh4 h ALA 67 N 0.61 0.59 -0.36 -1.67 0.00 -1.58 0.23 119.26 117.08 1sh4 h ALA 67 Ca 0.16 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1sh4 h ALA 67 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sh4 h ALA 67 CO -0.49 0.68 -0.24 0.00 0.00 0.00 0.00 179.25 179.20 1sh4 h ARG 68 N 0.66 0.81 -0.49 0.00 -0.00 -0.66 -0.66 114.38 114.05 1sh4 h ARG 68 Ca 0.04 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.98 59.12 1sh4 h ARG 68 Cb 1.04 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.98 1sh4 h ARG 68 CO 0.10 1.01 0.25 1.49 0.00 0.00 0.00 179.97 182.82 1sh4 h GLU 69 N 0.60 0.69 -0.38 0.04 4.57 -0.41 -2.68 114.58 117.01 1sh4 h GLU 69 Ca 0.07 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1sh4 h GLU 69 Cb 0.81 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 1sh4 h GLU 69 CO 0.07 0.57 0.13 1.25 -1.18 0.00 0.00 179.01 179.84 1sh4 h LEU 70 N 0.65 0.13 -1.10 1.64 5.85 -0.40 -3.18 115.31 118.89 1sh4 h LEU 70 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1sh4 h LEU 70 Cb 0.09 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1sh4 h LEU 70 CO -0.02 0.11 0.00 -1.54 -0.34 0.00 0.00 178.44 176.64 1sh4 n SER 71 N -5.02 0.50 -0.34 1.25 3.41 -0.27 -0.23 113.62 112.92 1sh4 n SER 71 Ca 0.02 0.71 0.15 0.00 -0.26 0.00 0.00 58.87 59.49 1sh4 n SER 71 Cb 0.14 -0.78 0.34 0.00 -0.26 0.00 0.00 64.21 63.66 1sh4 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sh4 h LYS 72 N 0.00 0.60 0.00 4.33 1.57 -1.65 0.25 116.57 121.67 1sh4 h LYS 72 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sh4 h LYS 72 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1sh4 h LYS 72 CO 0.00 0.40 0.00 -2.37 -0.57 0.00 0.00 179.45 176.91 1sh4 n THR 73 N -4.87 0.26 -0.05 -0.16 5.66 0.68 -3.37 114.28 112.43 1sh4 n THR 73 Ca 0.25 0.06 -0.01 0.00 -3.05 0.00 0.00 64.05 61.30 1sh4 n THR 73 Cb 0.66 -0.64 -0.13 0.00 -1.55 0.00 0.00 70.33 68.67 1sh4 n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1sh4 n PHE 74 N -1.41 0.00 -2.14 1.09 3.72 0.32 -5.00 117.46 114.04 1sh4 n PHE 74 Ca 0.08 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.13 1sh4 n PHE 74 Cb 0.25 -0.63 0.02 0.00 -0.94 0.00 0.00 39.48 38.18 1sh4 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1sh4 s ILE 75 N -2.72 2.89 -0.02 4.37 1.01 0.60 -0.60 121.20 126.72 1sh4 s ILE 75 Ca -0.07 0.57 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1sh4 s ILE 75 Cb 0.07 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1sh4 s ILE 75 CO 0.68 -0.10 0.03 2.30 0.00 0.00 0.00 174.94 177.85 1sh4 n ILE 76 N -1.31 0.13 0.00 2.92 -5.35 -0.03 -4.82 119.36 110.90 1sh4 n ILE 76 Ca 0.12 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1sh4 n ILE 76 Cb 0.50 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1sh4 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sh4 n GLY 77 N 2.67 -0.77 3.11 3.28 0.00 -1.17 -4.70 105.19 107.61 1sh4 n GLY 77 Ca -0.03 0.29 -0.08 0.00 0.00 0.00 0.00 46.02 46.20 1sh4 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sh4 s GLU 78 N 0.00 0.66 0.00 1.61 2.02 -1.26 -0.33 118.70 121.40 1sh4 s GLU 78 Ca 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1sh4 s GLU 78 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1sh4 s GLU 78 CO 0.00 -0.10 0.56 1.47 0.02 0.00 0.00 175.26 177.21 1sh4 n LEU 79 N 0.08 0.24 -0.72 1.80 -0.00 0.21 -0.34 117.00 118.27 1sh4 n LEU 79 Ca -0.13 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 1sh4 n LEU 79 Cb 0.61 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1sh4 n LEU 79 CO 0.28 0.06 -0.22 1.57 -0.00 0.00 0.00 177.39 179.09 1sh4 n HIS 80 N -0.26 -1.99 0.94 1.47 -0.00 -1.22 -4.12 115.22 110.04 1sh4 n HIS 80 Ca 0.00 1.07 0.12 0.00 -0.00 0.00 0.00 57.72 58.91 1sh4 n HIS 80 Cb 0.06 -2.03 0.56 0.00 -0.00 0.00 0.00 29.99 28.59 1sh4 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1sh4 n PRO 81 N -1.52 0.07 -0.90 1.57 -0.04 -1.26 -3.50 135.00 129.42 1sh4 n PRO 81 Ca 0.00 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 1sh4 n PRO 81 Cb 0.12 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.23 1sh4 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sh4 n ASP 82 N -1.46 3.66 0.00 3.54 2.03 -1.26 -4.04 116.55 119.01 1sh4 n ASP 82 Ca 0.07 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1sh4 n ASP 82 Cb 0.28 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1sh4 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1sh4 n ASP 83 N -0.62 0.00 0.00 1.67 -0.08 -1.24 -5.05 116.55 111.23 1sh4 n ASP 83 Ca 0.43 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 1sh4 n ASP 83 Cb 1.35 0.02 0.00 0.00 2.34 0.00 0.00 41.12 44.83 1sh4 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86