#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 1.84 0.08 0.00 -7.23 -1.26 -5.01 120.40 108.83 1sh4 s VAL 4 Ca 0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.99 1sh4 s VAL 4 Cb 0.00 -2.73 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 1sh4 s VAL 4 CO 0.00 0.00 1.49 0.50 -0.31 0.00 0.00 175.10 176.78 1sh4 h LYS 5 N -1.98 0.46 -2.64 4.82 3.64 -1.95 -3.50 116.57 115.43 1sh4 h LYS 5 Ca -0.46 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 1sh4 h LYS 5 Cb 1.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1sh4 h LYS 5 CO 0.43 0.66 -0.65 0.66 -2.27 0.00 0.00 179.45 178.28 1sh4 n TYR 6 N -4.59 -3.12 -3.82 1.91 4.01 -1.26 -5.02 117.16 105.28 1sh4 n TYR 6 Ca -0.04 1.66 -0.27 0.00 -0.16 0.00 0.00 57.90 59.10 1sh4 n TYR 6 Cb 0.27 -2.78 -0.17 0.00 -0.31 0.00 0.00 39.34 36.35 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 -3.24 1.27 0.52 -0.72 1.51 0.53 -4.89 117.35 112.33 1sh4 s TYR 7 Ca 0.00 -0.80 -0.22 0.00 -1.01 0.00 0.00 57.07 55.04 1sh4 s TYR 7 Cb 0.00 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.68 1sh4 s TYR 7 CO 0.00 -0.54 1.28 0.95 -1.11 0.00 0.00 175.55 176.12 1sh4 s THR 8 N 1.78 2.48 0.56 -0.71 -4.23 -1.26 -3.95 115.64 110.30 1sh4 s THR 8 Ca 0.01 0.35 0.31 0.00 -1.18 0.00 0.00 61.69 61.19 1sh4 s THR 8 Cb -0.15 -3.17 0.46 0.00 1.34 0.00 0.00 72.50 70.98 1sh4 s THR 8 CO -0.07 -0.01 1.84 0.25 -0.54 0.00 0.00 174.62 176.09 1sh4 h LEU 9 N 1.57 0.00 -0.20 4.79 5.85 -1.96 0.63 115.31 125.99 1sh4 h LEU 9 Ca -0.50 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1sh4 h LEU 9 Cb 1.28 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 1sh4 h LEU 9 CO 0.58 0.00 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.27 1sh4 h GLU 10 N 0.00 -0.35 0.56 1.25 4.81 -1.95 0.44 114.58 119.33 1sh4 h GLU 10 Ca 0.38 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1sh4 h GLU 10 Cb 1.71 0.08 0.01 0.00 0.63 0.00 0.00 28.75 31.18 1sh4 h GLU 10 CO -0.00 -0.24 -0.27 1.49 -0.73 0.00 0.00 179.01 179.26 1sh4 h GLU 11 N -0.37 -0.72 -0.87 1.92 4.57 -0.12 -2.83 114.58 116.17 1sh4 h GLU 11 Ca 0.11 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 58.54 1sh4 h GLU 11 Cb 0.55 0.16 -0.12 0.00 -0.16 0.00 0.00 28.75 29.19 1sh4 h GLU 11 CO -0.40 -0.48 0.38 0.82 -1.18 0.00 0.00 179.01 178.15 1sh4 h ILE 12 N -0.75 0.54 -0.01 2.32 2.04 -1.07 0.12 117.51 120.70 1sh4 h ILE 12 Ca -0.08 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1sh4 h ILE 12 Cb 0.57 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1sh4 h ILE 12 CO 0.13 0.08 0.01 1.56 0.00 0.00 0.00 178.15 179.92 1sh4 h GLN 13 N 0.44 0.00 0.00 2.37 1.08 0.13 -1.31 115.11 117.81 1sh4 h GLN 13 Ca 0.52 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.72 1sh4 h GLN 13 Cb 0.93 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1sh4 h GLN 13 CO -0.49 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.02 1sh4 n LYS 14 N -3.97 0.25 -3.66 1.46 4.01 0.42 -4.58 118.16 112.09 1sh4 n LYS 14 Ca -0.03 0.28 -0.37 0.00 -0.51 0.00 0.00 58.31 57.68 1sh4 n LYS 14 Cb 0.09 -1.83 -0.08 0.00 -0.51 0.00 0.00 35.03 32.70 1sh4 n LYS 14 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 1sh4 s HIS 15 N -3.17 3.58 -0.27 2.13 3.76 -0.49 -4.84 115.29 116.00 1sh4 s HIS 15 Ca 0.09 -2.77 0.09 0.00 -0.15 0.00 0.00 55.06 52.31 1sh4 s HIS 15 Cb 0.11 -3.26 0.29 0.00 1.11 0.00 0.00 32.58 30.83 1sh4 s HIS 15 CO 0.54 -0.81 1.24 0.27 -0.85 0.00 0.00 174.74 175.13 1sh4 n ASN 16 N 3.13 -1.16 0.00 1.40 0.23 -0.53 -0.51 115.26 117.81 1sh4 n ASN 16 Ca 0.13 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1sh4 n ASN 16 Cb 0.38 0.60 0.00 0.00 -2.08 0.00 0.00 39.78 38.68 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 -0.99 3.25 -3.24 0.53 5.15 0.24 -4.93 115.26 115.28 1sh4 n ASN 17 Ca -0.12 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.49 1sh4 n ASN 17 Cb 0.77 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.99 1sh4 n ASN 17 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1sh4 n SER 18 N 0.00 7.88 0.22 1.20 2.88 -1.26 -3.16 113.62 121.37 1sh4 n SER 18 Ca 0.00 -2.99 0.00 0.00 -1.33 0.00 0.00 58.87 54.55 1sh4 n SER 18 Cb 0.00 -1.39 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 1sh4 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1sh4 n LYS 19 N 2.06 0.00 -3.75 -1.46 4.76 -1.26 -5.15 118.16 113.37 1sh4 n LYS 19 Ca 0.63 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 56.02 1sh4 n LYS 19 Cb 0.32 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.49 1sh4 n LYS 19 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1sh4 s SER 20 N -2.57 -0.25 -0.37 4.39 0.01 -1.19 -5.01 113.70 108.70 1sh4 s SER 20 Ca 0.00 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1sh4 s SER 20 Cb 0.00 0.57 0.15 0.00 0.21 0.00 0.00 66.02 66.95 1sh4 s SER 20 CO 0.00 -1.04 0.28 -0.89 0.41 0.00 0.00 173.24 172.01 1sh4 s THR 21 N -3.52 0.08 0.70 1.44 2.01 -1.26 -0.59 115.64 114.50 1sh4 s THR 21 Ca 0.10 -1.82 -0.11 0.00 0.31 0.00 0.00 61.69 60.17 1sh4 s THR 21 Cb -0.03 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1sh4 s THR 21 CO 0.02 -0.97 1.08 0.26 -0.69 0.00 0.00 174.62 174.32 1sh4 s TRP 22 N 0.86 3.32 0.33 4.92 0.52 0.33 -0.92 118.94 128.31 1sh4 s TRP 22 Ca 0.22 1.13 -0.18 0.00 0.02 0.00 0.00 56.10 57.29 1sh4 s TRP 22 Cb -0.14 -2.99 0.05 0.00 -1.15 0.00 0.00 33.47 29.24 1sh4 s TRP 22 CO -0.05 -1.15 0.80 -0.48 0.02 0.00 0.00 176.95 176.09 1sh4 s LEU 23 N -5.38 -0.06 -0.12 2.99 2.34 3.64 -0.11 118.68 121.97 1sh4 s LEU 23 Ca 0.58 -0.95 -0.00 0.00 0.06 0.00 0.00 54.13 53.81 1sh4 s LEU 23 Cb -0.12 2.73 0.03 0.00 -0.56 0.00 0.00 46.19 48.27 1sh4 s LEU 23 CO 0.53 -1.52 -0.07 -0.63 -1.06 0.00 0.00 176.35 173.60 1sh4 s ILE 24 N -2.70 1.01 -0.35 1.48 -1.09 -0.99 -0.22 121.20 118.33 1sh4 s ILE 24 Ca 0.15 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.25 1sh4 s ILE 24 Cb -0.05 -1.06 0.09 0.00 -1.58 0.00 0.00 42.46 39.86 1sh4 s ILE 24 CO 0.09 0.33 0.09 -0.76 -1.23 0.00 0.00 174.94 173.46 1sh4 s LEU 25 N 1.71 4.70 -0.89 2.97 1.43 -0.50 -0.40 118.68 127.70 1sh4 s LEU 25 Ca 0.04 -1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 51.22 1sh4 s LEU 25 Cb -0.13 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1sh4 s LEU 25 CO -0.08 -0.41 0.76 1.41 0.23 0.00 0.00 176.35 178.26 1sh4 n HIS 26 N 4.46 -1.80 0.00 0.29 8.25 -1.26 -2.70 115.22 122.46 1sh4 n HIS 26 Ca -0.03 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.14 1sh4 n HIS 26 Cb 0.42 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 27.38 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 -3.20 0.00 -3.28 4.41 4.01 -1.26 -4.97 117.16 112.86 1sh4 n TYR 27 Ca -0.16 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.20 1sh4 n TYR 27 Cb 0.62 -0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 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 4.32 0.08 -0.72 1.02 -1.10 -0.57 119.74 122.78 1sh4 s LYS 28 Ca 0.00 0.54 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 1sh4 s LYS 28 Cb 0.00 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 1sh4 s LYS 28 CO 0.00 0.22 0.51 0.08 -0.92 0.00 0.00 175.35 175.24 1sh4 s VAL 29 N 0.39 4.87 -0.14 3.17 1.01 0.33 -1.42 120.40 128.61 1sh4 s VAL 29 Ca 0.28 0.94 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1sh4 s VAL 29 Cb -0.16 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1sh4 s VAL 29 CO 0.12 0.43 -0.00 -0.31 0.00 0.00 0.00 175.10 175.34 1sh4 s TYR 30 N -1.25 1.08 -0.37 5.22 2.02 0.69 -0.92 117.35 123.82 1sh4 s TYR 30 Ca 0.31 -0.64 -0.10 0.00 -0.37 0.00 0.00 57.07 56.26 1sh4 s TYR 30 Cb -0.17 -1.02 0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1sh4 s TYR 30 CO 0.18 -0.50 0.19 0.34 -1.57 0.00 0.00 175.55 174.19 1sh4 s ASP 31 N 1.84 5.68 -0.08 2.29 -1.08 -0.29 -0.40 116.67 124.64 1sh4 s ASP 31 Ca 0.02 -0.98 0.11 0.00 -0.52 0.00 0.00 52.55 51.18 1sh4 s ASP 31 Cb -0.15 -2.01 0.17 0.00 -1.46 0.00 0.00 42.92 39.47 1sh4 s ASP 31 CO -0.07 -0.37 1.07 0.18 0.52 0.00 0.00 175.17 176.51 1sh4 n LEU 32 N 4.98 2.05 -0.21 -1.34 4.77 -0.09 -4.82 117.00 122.34 1sh4 n LEU 32 Ca -0.12 -2.53 0.30 0.00 -0.03 0.00 0.00 56.01 53.63 1sh4 n LEU 32 Cb 0.46 -0.25 0.63 0.00 -2.33 0.00 0.00 43.42 41.93 1sh4 n LEU 32 CO 0.36 0.60 1.28 0.74 -1.33 0.00 0.00 177.39 179.03 1sh4 h THR 33 N 0.41 0.17 0.01 -5.08 2.02 -1.92 0.34 112.91 108.86 1sh4 h THR 33 Ca 0.00 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.81 1sh4 h THR 33 Cb 0.85 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1sh4 h THR 33 CO 0.00 0.00 -2.30 0.29 0.37 0.00 0.00 175.52 173.88 1sh4 n LYS 34 N -3.61 0.68 -0.18 6.66 5.02 -1.26 -4.38 118.16 121.09 1sh4 n LYS 34 Ca 0.22 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.75 1sh4 n LYS 34 Cb 1.29 -1.57 0.47 0.00 -0.02 0.00 0.00 35.03 35.21 1sh4 n LYS 34 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1sh4 h PHE 35 N 0.01 0.56 -0.44 2.13 3.57 -0.73 -0.00 116.94 122.03 1sh4 h PHE 35 Ca -0.52 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.06 1sh4 h PHE 35 Cb 2.10 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 40.60 1sh4 h PHE 35 CO 0.01 0.22 -0.19 1.28 -2.23 0.00 0.00 178.31 177.40 1sh4 n LEU 36 N -4.49 -0.33 0.13 0.59 4.77 -0.76 -0.33 117.00 116.58 1sh4 n LEU 36 Ca 0.14 0.76 0.05 0.00 -0.03 0.00 0.00 56.01 56.94 1sh4 n LEU 36 Cb 0.50 -0.16 0.50 0.00 -2.33 0.00 0.00 43.42 41.93 1sh4 n LEU 36 CO 0.32 -0.67 1.05 -0.33 -1.33 0.00 0.00 177.39 176.43 1sh4 h GLU 37 N 0.00 0.24 0.00 3.23 5.08 -1.26 -3.27 114.58 118.60 1sh4 h GLU 37 Ca 0.13 -0.03 -0.42 0.00 -1.00 0.00 0.00 59.36 58.05 1sh4 h GLU 37 Cb 0.24 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1sh4 h GLU 37 CO -0.43 0.23 -2.48 -1.91 -1.00 0.00 0.00 179.01 173.42 1sh4 n GLU 38 N -4.44 0.61 -1.65 2.33 4.07 0.56 -5.02 120.64 117.10 1sh4 n GLU 38 Ca -0.00 0.20 -0.51 0.00 -0.06 0.00 0.00 57.16 56.79 1sh4 n GLU 38 Cb 0.13 -1.49 -0.06 0.00 -0.06 0.00 0.00 31.44 29.97 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 -3.70 2.14 -1.79 4.31 -0.00 0.35 -4.92 115.22 111.61 1sh4 n HIS 39 Ca -0.49 0.15 -0.42 0.00 0.46 0.00 0.00 57.72 57.41 1sh4 n HIS 39 Cb 0.93 -2.60 -0.03 0.00 -0.12 0.00 0.00 29.99 28.17 1sh4 n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1sh4 s PRO 40 N 4.44 3.77 0.00 1.57 0.04 -1.26 -1.01 135.00 142.55 1sh4 s PRO 40 Ca 0.97 2.17 0.00 0.00 0.04 0.00 0.00 61.00 64.19 1sh4 s PRO 40 Cb -0.78 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 29.58 1sh4 s PRO 40 CO 0.54 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1sh4 n GLY 41 N 4.88 4.57 0.00 0.56 0.00 -1.26 -5.12 105.19 108.82 1sh4 n GLY 41 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1sh4 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh4 n GLY 42 N 0.00 1.14 0.11 -0.02 0.00 -0.18 -4.46 105.19 101.77 1sh4 n GLY 42 Ca 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.15 0.00 1.61 5.08 -1.84 -3.31 114.58 115.97 1sh4 h GLU 43 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1sh4 h GLU 43 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1sh4 h GLU 43 CO 0.00 0.19 -0.20 0.93 -1.00 0.00 0.00 179.01 178.93 1sh4 h GLU 44 N -0.98 0.00 -0.25 2.33 5.08 -1.91 -0.08 114.58 118.76 1sh4 h GLU 44 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1sh4 h GLU 44 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1sh4 h GLU 44 CO 0.03 0.20 -0.11 1.25 -1.00 0.00 0.00 179.01 179.38 1sh4 h HIS 45 N 0.00 0.43 0.07 4.33 2.76 -1.78 0.27 115.15 121.23 1sh4 h HIS 45 Ca -0.00 -0.06 -0.25 0.00 -2.20 0.00 0.00 60.37 57.86 1sh4 h HIS 45 Cb 0.40 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 29.24 1sh4 h HIS 45 CO 0.00 0.51 -1.10 -0.07 -1.30 0.00 0.00 177.93 175.98 1sh4 h LEU 46 N 0.39 0.50 -0.35 0.26 3.38 -1.17 -3.36 115.31 114.96 1sh4 h LEU 46 Ca 0.08 -0.46 -0.18 0.00 0.09 0.00 0.00 57.88 57.40 1sh4 h LEU 46 Cb 0.43 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1sh4 h LEU 46 CO 0.02 1.30 -0.51 -0.09 0.09 0.00 0.00 178.44 179.25 1sh4 h ARG 47 N 0.16 0.85 -0.70 1.13 1.12 -0.38 0.17 114.38 116.72 1sh4 h ARG 47 Ca -0.11 -0.52 0.15 0.00 -1.11 0.00 0.00 59.98 58.39 1sh4 h ARG 47 Cb 1.77 0.05 -0.12 0.00 -0.01 0.00 0.00 29.97 31.66 1sh4 h ARG 47 CO 0.19 1.15 -0.03 1.49 -3.11 0.00 0.00 179.97 179.66 1sh4 h GLU 48 N 0.66 0.09 -0.12 0.20 4.57 -0.66 -0.99 114.58 118.31 1sh4 h GLU 48 Ca 0.02 -0.01 -0.20 0.00 -1.18 0.00 0.00 59.36 58.00 1sh4 h GLU 48 Cb 1.11 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1sh4 h GLU 48 CO 0.11 0.06 -0.73 1.96 -1.18 0.00 0.00 179.01 179.24 1sh4 h GLN 49 N 0.09 0.59 -6.76 1.92 1.08 -1.60 -3.48 115.11 106.93 1sh4 h GLN 49 Ca 0.37 -0.46 -0.55 0.00 -1.45 0.00 0.00 58.65 56.55 1sh4 h GLN 49 Cb 0.62 0.09 0.19 0.00 -0.05 0.00 0.00 27.48 28.34 1sh4 h GLN 49 CO -0.63 1.09 -0.32 0.00 -0.95 0.00 0.00 178.83 178.01 1sh4 n ALA 50 N -2.55 -1.51 -0.29 3.87 0.00 0.55 -3.91 120.51 116.67 1sh4 n ALA 50 Ca -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1sh4 n ALA 50 Cb 0.71 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.46 0.82 0.00 0.00 0.00 0.84 -4.84 105.19 103.47 1sh4 n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.24 2.49 0.11 -0.02 0.00 -1.25 -2.82 105.19 101.46 1sh4 n GLY 52 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.50 -0.92 1.61 2.03 -1.26 -4.74 116.55 112.76 1sh4 n ASP 53 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1sh4 n ASP 53 Cb 0.00 -0.18 -0.00 0.00 -0.72 0.00 0.00 41.12 40.22 1sh4 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sh4 n ALA 54 N 2.23 2.39 0.16 -1.67 0.00 0.47 -4.59 120.51 119.50 1sh4 n ALA 54 Ca 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 53.44 52.03 1sh4 n ALA 54 Cb 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 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 6.39 0.73 -0.20 0.00 2.02 -1.82 0.18 112.91 120.20 1sh4 h THR 55 Ca -0.17 -0.45 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1sh4 h THR 55 Cb 1.51 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 68.86 1sh4 h THR 55 CO -0.01 0.09 -0.01 -0.08 0.37 0.00 0.00 175.52 175.89 1sh4 h GLU 56 N -0.65 0.06 -0.52 6.66 4.81 -1.93 -1.65 114.58 121.35 1sh4 h GLU 56 Ca -0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sh4 h GLU 56 Cb 0.46 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1sh4 h GLU 56 CO 0.07 0.04 0.33 -0.97 -0.73 0.00 0.00 179.01 177.74 1sh4 h ASN 57 N 0.06 0.62 -0.78 1.04 -0.73 -1.93 0.26 115.58 114.12 1sh4 h ASN 57 Ca 0.10 -0.04 0.10 0.00 1.87 0.00 0.00 56.30 58.33 1sh4 h ASN 57 Cb 0.12 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.50 1sh4 h ASN 57 CO -0.17 0.47 0.51 0.15 -0.37 0.00 0.00 177.43 178.03 1sh4 h PHE 58 N 0.71 0.72 0.02 0.67 3.57 -0.09 -1.08 116.94 121.45 1sh4 h PHE 58 Ca 0.19 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.41 1sh4 h PHE 58 Cb -0.04 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.42 1sh4 h PHE 58 CO -0.03 0.33 -1.72 0.93 -2.23 0.00 0.00 178.31 175.59 1sh4 h GLU 59 N 0.67 0.03 0.04 1.11 4.39 -0.99 0.55 114.58 120.37 1sh4 h GLU 59 Ca 0.36 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.01 1sh4 h GLU 59 Cb 0.50 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1sh4 h GLU 59 CO -0.14 0.60 -0.07 0.22 -1.16 0.00 0.00 179.01 178.46 1sh4 h ASP 60 N 0.01 -0.19 -0.23 1.42 3.58 -0.23 -2.32 116.42 118.45 1sh4 h ASP 60 Ca -0.29 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 1sh4 h ASP 60 Cb 2.01 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 43.13 1sh4 h ASP 60 CO 0.08 -0.11 -0.01 0.58 -2.88 0.00 0.00 179.24 176.91 1sh4 h VAL 61 N -0.14 1.26 -5.31 2.25 2.07 -1.34 -3.49 116.25 111.56 1sh4 h VAL 61 Ca 0.02 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1sh4 h VAL 61 Cb 0.15 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1sh4 h VAL 61 CO -0.05 0.29 -0.11 0.61 0.02 0.00 0.00 177.57 178.34 1sh4 n GLY 62 N -0.28 -1.24 0.00 2.17 0.00 0.19 -4.97 105.19 101.06 1sh4 n GLY 62 Ca -0.04 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.44 0.00 0.00 1.61 8.25 -1.15 -4.97 115.22 117.52 1sh4 n HIS 63 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1sh4 n HIS 63 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 0.00 0.00 -0.34 0.41 7.64 -1.26 0.73 113.62 120.80 1sh4 n SER 64 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 1sh4 n SER 64 Cb 0.00 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.05 -0.67 0.44 1.35 -1.99 0.23 112.91 112.31 1sh4 h THR 65 Ca 0.00 -0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 1sh4 h THR 65 Cb 0.00 0.04 -0.11 0.00 -1.73 0.00 0.00 68.15 66.35 1sh4 h THR 65 CO 0.00 0.00 -0.27 0.47 -0.25 0.00 0.00 175.52 175.47 1sh4 n ASP 66 N -5.56 -0.45 -0.03 5.36 9.92 -1.26 -0.22 116.55 124.30 1sh4 n ASP 66 Ca 0.17 1.17 -0.09 0.00 -0.53 0.00 0.00 54.79 55.51 1sh4 n ASP 66 Cb 0.56 -0.26 0.06 0.00 -0.64 0.00 0.00 41.12 40.84 1sh4 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sh4 h ALA 67 N 0.90 0.74 -0.57 2.24 0.00 -0.98 0.26 119.26 121.84 1sh4 h ALA 67 Ca 0.23 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1sh4 h ALA 67 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sh4 h ALA 67 CO -0.67 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.31 1sh4 h ARG 68 N 0.53 0.93 -0.04 0.00 -0.00 -0.33 0.10 114.38 115.56 1sh4 h ARG 68 Ca 0.04 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.98 59.26 1sh4 h ARG 68 Cb 0.98 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.83 1sh4 h ARG 68 CO 0.09 0.88 -0.02 1.49 0.00 0.00 0.00 179.97 182.41 1sh4 h GLU 69 N 0.87 0.09 -0.88 0.04 4.81 -0.49 -2.75 114.58 116.28 1sh4 h GLU 69 Ca 0.17 -0.04 0.22 0.00 -0.13 0.00 0.00 59.36 59.59 1sh4 h GLU 69 Cb 0.43 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.67 1sh4 h GLU 69 CO 0.01 0.49 0.32 1.25 -0.73 0.00 0.00 179.01 180.35 1sh4 h LEU 70 N -0.30 0.18 -1.28 1.64 7.12 -0.78 -1.05 115.31 120.83 1sh4 h LEU 70 Ca 0.01 0.17 0.24 0.00 0.13 0.00 0.00 57.88 58.43 1sh4 h LEU 70 Cb 0.46 0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 40.69 1sh4 h LEU 70 CO 0.01 -0.07 0.64 0.77 -0.13 0.00 0.00 178.44 179.65 1sh4 h SER 71 N 0.31 0.53 -0.90 1.25 4.64 -0.48 0.17 113.55 119.07 1sh4 h SER 71 Ca 0.55 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 62.04 1sh4 h SER 71 Cb 1.07 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 1sh4 h SER 71 CO -0.58 0.14 0.58 0.11 -0.87 0.00 0.00 176.83 176.21 1sh4 h LYS 72 N 0.49 0.89 -0.32 4.77 1.57 -1.20 0.28 116.57 123.06 1sh4 h LYS 72 Ca 0.57 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 1sh4 h LYS 72 Cb 1.29 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1sh4 h LYS 72 CO -0.31 0.59 0.00 -2.37 -0.57 0.00 0.00 179.45 176.79 1sh4 n THR 73 N -4.52 0.42 -0.01 -0.16 5.66 0.58 -3.81 114.28 112.43 1sh4 n THR 73 Ca 0.15 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.67 1sh4 n THR 73 Cb 0.28 0.39 -0.05 0.00 -1.55 0.00 0.00 70.33 69.41 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 0.65 0.00 -1.37 1.09 3.72 -0.17 -5.03 117.46 116.34 1sh4 n PHE 74 Ca 0.15 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.21 1sh4 n PHE 74 Cb 0.37 -0.18 0.10 0.00 -0.94 0.00 0.00 39.48 38.83 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 -2.35 2.26 0.00 4.37 1.01 0.81 -1.14 121.20 126.16 1sh4 s ILE 75 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1sh4 s ILE 75 Cb 0.03 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.83 1sh4 s ILE 75 CO 0.25 -0.07 0.00 2.30 0.00 0.00 0.00 174.94 177.42 1sh4 n ILE 76 N -2.82 0.00 0.00 2.92 -5.35 -0.10 -4.76 119.36 109.25 1sh4 n ILE 76 Ca 0.13 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1sh4 n ILE 76 Cb 0.50 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 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 2.20 -0.54 3.41 3.28 0.00 -1.20 -4.83 105.19 107.50 1sh4 n GLY 77 Ca 0.00 0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 1.50 0.00 1.61 0.41 -1.26 -0.52 118.70 120.45 1sh4 s GLU 78 Ca 0.00 -1.75 0.10 0.00 -0.41 0.00 0.00 54.97 52.91 1sh4 s GLU 78 Cb 0.00 -1.09 0.41 0.00 -1.78 0.00 0.00 34.13 31.66 1sh4 s GLU 78 CO 0.00 0.04 1.30 -0.11 -0.49 0.00 0.00 175.26 175.99 1sh4 n LEU 79 N -0.54 1.02 -0.42 1.80 7.94 0.27 -0.35 117.00 126.72 1sh4 n LEU 79 Ca -0.06 -0.49 0.00 0.00 -1.11 0.00 0.00 56.01 54.36 1sh4 n LEU 79 Cb 0.63 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1sh4 n LEU 79 CO 0.39 0.24 -0.12 1.57 -1.11 0.00 0.00 177.39 178.36 1sh4 n HIS 80 N 0.00 -1.15 1.59 1.96 -0.00 -1.25 -4.34 115.22 112.03 1sh4 n HIS 80 Ca 0.09 0.61 0.15 0.00 -0.00 0.00 0.00 57.72 58.58 1sh4 n HIS 80 Cb 0.18 -1.60 0.79 0.00 -0.00 0.00 0.00 29.99 29.36 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 -1.12 0.64 -1.31 1.57 -0.04 -1.26 -3.35 135.00 130.14 1sh4 n PRO 81 Ca 0.00 -0.05 -0.29 0.00 -0.04 0.00 0.00 63.50 63.12 1sh4 n PRO 81 Cb 0.02 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.10 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 -1.13 6.03 0.02 3.54 2.03 -1.26 -4.50 116.55 121.26 1sh4 n ASP 82 Ca 0.17 -3.73 0.00 0.00 0.52 0.00 0.00 54.79 51.75 1sh4 n ASP 82 Cb 0.21 -0.88 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 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 -0.99 -0.19 0.00 1.67 -0.08 -1.23 -5.04 116.55 110.69 1sh4 n ASP 83 Ca 0.59 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.93 1sh4 n ASP 83 Cb 1.02 0.40 0.00 0.00 2.34 0.00 0.00 41.12 44.88 1sh4 n ASP 83 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21