#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 2.42 0.20 0.00 0.11 -1.26 -4.97 120.40 116.89 1sh4 s VAL 4 Ca 0.00 0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1sh4 s VAL 4 Cb 0.00 -2.36 0.12 0.00 -1.53 0.00 0.00 36.38 32.61 1sh4 s VAL 4 CO 0.00 -0.18 1.73 0.50 -3.33 0.00 0.00 175.10 173.83 1sh4 h LYS 5 N -1.82 1.10 -3.22 1.54 3.64 -1.96 -3.50 116.57 112.35 1sh4 h LYS 5 Ca -0.48 -0.23 0.10 0.00 -1.27 0.00 0.00 60.65 58.76 1sh4 h LYS 5 Cb 1.28 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.88 1sh4 h LYS 5 CO 0.48 0.94 -0.94 0.66 -2.27 0.00 0.00 179.45 178.32 1sh4 n TYR 6 N -4.30 -3.66 -3.68 1.91 4.01 -1.26 -5.01 117.16 105.17 1sh4 n TYR 6 Ca 0.05 2.00 -0.17 0.00 -0.16 0.00 0.00 57.90 59.62 1sh4 n TYR 6 Cb 0.22 -3.19 -0.16 0.00 -0.31 0.00 0.00 39.34 35.89 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 -4.91 -0.13 0.34 -0.72 1.51 0.78 -4.87 117.35 109.35 1sh4 s TYR 7 Ca 0.00 0.52 -0.29 0.00 -1.01 0.00 0.00 57.07 56.29 1sh4 s TYR 7 Cb 0.00 -0.28 -0.10 0.00 -0.11 0.00 0.00 41.96 41.46 1sh4 s TYR 7 CO 0.00 -0.24 1.35 0.95 -1.11 0.00 0.00 175.55 176.50 1sh4 s THR 8 N 2.12 2.56 0.47 -0.71 -4.23 -1.26 -3.67 115.64 110.92 1sh4 s THR 8 Ca 0.02 0.56 0.25 0.00 -1.18 0.00 0.00 61.69 61.33 1sh4 s THR 8 Cb -0.12 -3.36 0.44 0.00 1.34 0.00 0.00 72.50 70.80 1sh4 s THR 8 CO -0.05 0.13 1.84 0.25 -0.54 0.00 0.00 174.62 176.25 1sh4 h LEU 9 N 3.30 0.24 -0.46 4.79 6.46 -1.96 0.58 115.31 128.26 1sh4 h LEU 9 Ca -0.49 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.38 1sh4 h LEU 9 Cb 1.23 -0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 41.06 1sh4 h LEU 9 CO 0.65 0.07 -0.39 -0.08 -0.62 0.00 0.00 178.44 178.07 1sh4 h GLU 10 N 0.22 -0.26 0.38 1.25 4.81 -1.94 0.45 114.58 119.49 1sh4 h GLU 10 Ca 0.50 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1sh4 h GLU 10 Cb 1.56 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 1sh4 h GLU 10 CO -0.13 -0.17 -0.25 1.49 -0.73 0.00 0.00 179.01 179.22 1sh4 h GLU 11 N -0.27 -0.59 -0.78 1.92 4.57 -0.22 -2.44 114.58 116.78 1sh4 h GLU 11 Ca 0.17 0.04 0.18 0.00 -1.18 0.00 0.00 59.36 58.57 1sh4 h GLU 11 Cb 0.57 0.13 -0.12 0.00 -0.16 0.00 0.00 28.75 29.17 1sh4 h GLU 11 CO -0.60 -0.39 0.15 0.82 -1.18 0.00 0.00 179.01 177.80 1sh4 h ILE 12 N -0.61 0.42 -0.38 2.32 2.04 -0.83 0.19 117.51 120.65 1sh4 h ILE 12 Ca -0.04 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1sh4 h ILE 12 Cb 0.51 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1sh4 h ILE 12 CO 0.03 0.04 0.27 1.56 0.00 0.00 0.00 178.15 180.05 1sh4 h GLN 13 N 0.21 0.08 0.00 2.37 1.08 0.37 -0.98 115.11 118.24 1sh4 h GLN 13 Ca 0.45 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.65 1sh4 h GLN 13 Cb 0.82 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1sh4 h GLN 13 CO -0.59 0.05 -0.00 1.63 -0.95 0.00 0.00 178.83 178.97 1sh4 n LYS 14 N -4.44 0.24 -3.40 1.46 5.02 0.67 -4.43 118.16 113.27 1sh4 n LYS 14 Ca 0.06 0.20 -0.44 0.00 -2.02 0.00 0.00 58.31 56.11 1sh4 n LYS 14 Cb 0.41 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1sh4 n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1sh4 s HIS 15 N -3.09 4.12 -0.28 2.13 3.76 -0.37 -4.69 115.29 116.87 1sh4 s HIS 15 Ca 0.11 -2.66 0.11 0.00 -0.15 0.00 0.00 55.06 52.46 1sh4 s HIS 15 Cb 0.13 -3.72 0.34 0.00 1.11 0.00 0.00 32.58 30.44 1sh4 s HIS 15 CO 0.59 -0.92 1.42 0.27 -0.85 0.00 0.00 174.74 175.26 1sh4 n ASN 16 N 2.82 -1.33 0.00 1.40 0.23 -0.67 -0.48 115.26 117.23 1sh4 n ASN 16 Ca 0.22 -2.11 0.00 0.00 -0.53 0.00 0.00 54.58 52.15 1sh4 n ASN 16 Cb 0.40 0.60 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 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 -1.29 3.61 -3.00 0.53 5.15 -0.77 -4.97 115.26 114.53 1sh4 n ASN 17 Ca -0.18 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.49 1sh4 n ASN 17 Cb 0.83 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 40.03 1sh4 n ASN 17 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1sh4 n SER 18 N 0.00 7.42 0.00 1.20 7.64 -1.26 -3.45 113.62 125.18 1sh4 n SER 18 Ca 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1sh4 n SER 18 Cb 0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1sh4 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1sh4 n LYS 19 N 3.41 0.00 -2.97 1.43 3.00 -1.26 -5.16 118.16 116.61 1sh4 n LYS 19 Ca 0.66 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.94 1sh4 n LYS 19 Cb 0.36 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.41 1sh4 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1sh4 n SER 20 N -2.16 -1.26 -3.52 3.14 7.64 -1.22 -5.03 113.62 111.20 1sh4 n SER 20 Ca 0.00 -1.74 -0.29 0.00 1.01 0.00 0.00 58.87 57.85 1sh4 n SER 20 Cb 0.00 2.07 -0.12 0.00 -1.01 0.00 0.00 64.21 65.15 1sh4 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sh4 s THR 21 N -2.29 0.50 0.63 0.44 2.01 -1.25 -1.68 115.64 114.00 1sh4 s THR 21 Ca 0.14 -2.01 -0.07 0.00 0.31 0.00 0.00 61.69 60.06 1sh4 s THR 21 Cb -0.02 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.14 1sh4 s THR 21 CO 0.05 -0.98 0.95 0.26 -0.69 0.00 0.00 174.62 174.21 1sh4 s TRP 22 N 0.80 3.21 0.20 4.92 0.52 0.37 -1.07 118.94 127.88 1sh4 s TRP 22 Ca 0.19 0.68 -0.23 0.00 0.02 0.00 0.00 56.10 56.76 1sh4 s TRP 22 Cb -0.21 -2.87 0.05 0.00 -1.15 0.00 0.00 33.47 29.28 1sh4 s TRP 22 CO -0.01 -0.99 0.81 -0.48 0.02 0.00 0.00 176.95 176.31 1sh4 s LEU 23 N -5.10 -0.27 -0.18 2.99 2.34 3.92 -0.08 118.68 122.30 1sh4 s LEU 23 Ca 0.56 -0.42 0.00 0.00 0.06 0.00 0.00 54.13 54.33 1sh4 s LEU 23 Cb -0.11 2.44 0.01 0.00 -0.56 0.00 0.00 46.19 47.97 1sh4 s LEU 23 CO 0.46 -1.08 -0.17 -0.63 -1.06 0.00 0.00 176.35 173.87 1sh4 s ILE 24 N -3.59 2.34 -0.39 1.48 1.01 -1.13 -0.49 121.20 120.43 1sh4 s ILE 24 Ca 0.10 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.93 1sh4 s ILE 24 Cb -0.03 -1.99 0.11 0.00 0.01 0.00 0.00 42.46 40.55 1sh4 s ILE 24 CO 0.02 0.52 0.11 -0.76 0.00 0.00 0.00 174.94 174.82 1sh4 s LEU 25 N 1.23 4.68 -0.63 2.97 1.43 -1.03 -0.58 118.68 126.75 1sh4 s LEU 25 Ca 0.03 -2.36 -0.03 0.00 -1.03 0.00 0.00 54.13 50.73 1sh4 s LEU 25 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1sh4 s LEU 25 CO -0.09 -0.35 0.55 1.41 0.23 0.00 0.00 176.35 178.10 1sh4 n HIS 26 N 3.98 -1.46 0.00 0.29 8.25 -1.26 -3.40 115.22 121.62 1sh4 n HIS 26 Ca 0.04 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1sh4 n HIS 26 Cb 0.40 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 28.03 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 -2.54 0.00 -2.39 4.41 4.01 -1.26 -4.95 117.16 114.44 1sh4 n TYR 27 Ca -0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.36 1sh4 n TYR 27 Cb 0.57 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 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 3.67 -0.11 -0.72 1.02 -1.22 -1.08 119.74 121.30 1sh4 s LYS 28 Ca 0.00 1.29 -0.05 0.00 0.02 0.00 0.00 55.97 57.23 1sh4 s LYS 28 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1sh4 s LYS 28 CO 0.00 -0.53 0.06 0.08 -0.92 0.00 0.00 175.35 174.04 1sh4 s VAL 29 N -2.16 4.85 -0.18 3.17 1.01 0.34 -2.47 120.40 124.96 1sh4 s VAL 29 Ca 0.66 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.59 1sh4 s VAL 29 Cb -0.16 -3.09 0.05 0.00 0.00 0.00 0.00 36.38 33.18 1sh4 s VAL 29 CO 0.25 0.59 -0.01 -0.31 0.00 0.00 0.00 175.10 175.63 1sh4 s TYR 30 N -0.78 1.37 -0.33 5.22 1.51 0.36 -0.67 117.35 124.02 1sh4 s TYR 30 Ca 0.13 -0.97 -0.09 0.00 -1.01 0.00 0.00 57.07 55.13 1sh4 s TYR 30 Cb -0.12 -1.16 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 1sh4 s TYR 30 CO 0.03 -0.60 0.15 0.34 -1.11 0.00 0.00 175.55 174.35 1sh4 s ASP 31 N 1.74 5.48 -0.11 2.29 -1.08 0.23 -0.54 116.67 124.68 1sh4 s ASP 31 Ca -0.00 -0.75 0.14 0.00 -0.52 0.00 0.00 52.55 51.41 1sh4 s ASP 31 Cb -0.16 -1.97 0.25 0.00 -1.46 0.00 0.00 42.92 39.58 1sh4 s ASP 31 CO -0.07 -0.26 1.13 0.18 0.52 0.00 0.00 175.17 176.67 1sh4 n LEU 32 N 4.94 1.82 0.26 -1.34 4.77 -0.24 -4.76 117.00 122.46 1sh4 n LEU 32 Ca -0.13 -2.69 0.09 0.00 -0.03 0.00 0.00 56.01 53.24 1sh4 n LEU 32 Cb 0.48 -0.33 0.49 0.00 -2.33 0.00 0.00 43.42 41.72 1sh4 n LEU 32 CO 0.34 0.70 0.96 0.74 -1.33 0.00 0.00 177.39 178.80 1sh4 h THR 33 N 2.03 0.00 0.00 -5.08 2.02 -1.94 0.25 112.91 110.20 1sh4 h THR 33 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1sh4 h THR 33 Cb 1.13 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1sh4 h THR 33 CO 0.01 0.00 -1.34 0.29 0.37 0.00 0.00 175.52 174.85 1sh4 n LYS 34 N -2.45 0.44 -0.18 6.66 5.02 -1.26 -4.47 118.16 121.93 1sh4 n LYS 34 Ca -0.01 -0.06 0.15 0.00 -2.02 0.00 0.00 58.31 56.37 1sh4 n LYS 34 Cb 0.46 -1.17 0.49 0.00 -0.02 0.00 0.00 35.03 34.79 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 0.00 0.52 -0.84 2.13 3.57 -0.89 0.78 116.94 122.22 1sh4 h PHE 35 Ca -0.02 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1sh4 h PHE 35 Cb 0.42 -0.16 -0.15 0.00 2.79 0.00 0.00 35.95 38.84 1sh4 h PHE 35 CO 0.00 0.19 0.15 1.28 -2.23 0.00 0.00 178.31 177.70 1sh4 n LEU 36 N -4.49 0.02 0.19 0.59 4.77 -0.94 -0.20 117.00 116.95 1sh4 n LEU 36 Ca 0.15 1.41 0.03 0.00 -0.03 0.00 0.00 56.01 57.57 1sh4 n LEU 36 Cb 0.53 -0.56 0.38 0.00 -2.33 0.00 0.00 43.42 41.44 1sh4 n LEU 36 CO 0.32 -1.47 0.74 -0.33 -1.33 0.00 0.00 177.39 175.32 1sh4 h GLU 37 N 0.00 0.00 0.00 3.23 5.08 -1.12 -3.31 114.58 118.46 1sh4 h GLU 37 Ca 0.57 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.55 1sh4 h GLU 37 Cb 1.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 1sh4 h GLU 37 CO -0.74 0.35 -2.25 -1.91 -1.00 0.00 0.00 179.01 173.46 1sh4 n GLU 38 N -4.05 0.48 -1.63 2.33 2.13 0.72 -5.03 120.64 115.59 1sh4 n GLU 38 Ca -0.02 0.21 -0.56 0.00 0.66 0.00 0.00 57.16 57.45 1sh4 n GLU 38 Cb 0.40 -1.30 -0.07 0.00 0.27 0.00 0.00 31.44 30.73 1sh4 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1sh4 n HIS 39 N -3.98 1.93 0.29 4.31 -0.00 0.67 -4.87 115.22 113.58 1sh4 n HIS 39 Ca -0.44 0.47 0.17 0.00 0.46 0.00 0.00 57.72 58.38 1sh4 n HIS 39 Cb 0.82 -2.48 0.90 0.00 -0.12 0.00 0.00 29.99 29.11 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 8.53 0.00 0.00 1.57 0.13 -1.94 0.73 132.00 141.01 1sh4 h PRO 40 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1sh4 h PRO 40 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1sh4 h PRO 40 CO 0.98 0.05 -0.10 0.78 -0.23 0.00 0.00 178.00 179.48 1sh4 h GLY 41 N 0.69 0.00 0.00 1.56 0.00 -1.99 -3.49 103.07 99.84 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 -1.23 2.31 0.08 4.60 0.00 0.25 -4.54 105.19 106.66 1sh4 n GLY 42 Ca -0.03 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.73 1sh4 n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1sh4 h GLU 43 N 0.00 0.00 -0.70 1.61 4.22 -1.80 -3.34 114.58 114.56 1sh4 h GLU 43 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.59 1sh4 h GLU 43 Cb 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.13 1sh4 h GLU 43 CO 0.00 0.56 -0.02 1.05 -2.18 0.00 0.00 179.01 178.42 1sh4 h GLU 44 N -1.00 0.09 -0.33 1.92 -0.00 -1.91 0.41 114.58 113.76 1sh4 h GLU 44 Ca -0.14 -0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.28 1sh4 h GLU 44 Cb 0.84 -0.02 -0.02 0.00 -0.00 0.00 0.00 28.75 29.56 1sh4 h GLU 44 CO -0.09 0.06 0.23 1.25 -0.00 0.00 0.00 179.01 180.46 1sh4 h HIS 45 N 0.09 0.17 0.10 2.06 2.76 -1.80 0.37 115.15 118.90 1sh4 h HIS 45 Ca 0.37 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.26 1sh4 h HIS 45 Cb 0.63 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 1sh4 h HIS 45 CO -0.42 0.09 -1.45 -0.07 -1.30 0.00 0.00 177.93 174.78 1sh4 h LEU 46 N 0.17 0.32 0.11 0.26 3.38 -0.73 -3.38 115.31 115.44 1sh4 h LEU 46 Ca 0.15 -0.43 -0.29 0.00 0.09 0.00 0.00 57.88 57.40 1sh4 h LEU 46 Cb 0.38 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.05 1sh4 h LEU 46 CO -0.02 1.35 -1.25 -0.09 0.09 0.00 0.00 178.44 178.52 1sh4 h ARG 47 N 0.06 0.49 -0.60 1.13 1.12 0.13 0.24 114.38 116.94 1sh4 h ARG 47 Ca -0.20 -0.71 0.12 0.00 -1.11 0.00 0.00 59.98 58.08 1sh4 h ARG 47 Cb 1.98 0.24 -0.11 0.00 -0.01 0.00 0.00 29.97 32.07 1sh4 h ARG 47 CO 0.16 1.32 -0.15 1.49 -3.11 0.00 0.00 179.97 179.68 1sh4 h GLU 48 N 0.19 0.00 -0.21 0.20 4.22 -0.56 -2.24 114.58 116.19 1sh4 h GLU 48 Ca -0.17 -0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.11 1sh4 h GLU 48 Cb 1.94 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1sh4 h GLU 48 CO 0.23 0.00 -0.46 1.96 -2.18 0.00 0.00 179.01 178.56 1sh4 h GLN 49 N 0.00 0.69 -6.38 1.92 1.08 -1.68 -3.48 115.11 107.25 1sh4 h GLN 49 Ca 0.29 -0.46 -0.57 0.00 -1.45 0.00 0.00 58.65 56.46 1sh4 h GLN 49 Cb 0.44 0.06 0.19 0.00 -0.05 0.00 0.00 27.48 28.12 1sh4 h GLN 49 CO -0.62 1.08 -0.78 0.00 -0.95 0.00 0.00 178.83 177.56 1sh4 n ALA 50 N -2.54 -2.38 -0.17 3.87 0.00 0.81 -4.00 120.51 116.11 1sh4 n ALA 50 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1sh4 n ALA 50 Cb 0.57 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 2.12 0.91 0.00 0.00 0.00 0.88 -4.76 105.19 104.34 1sh4 n GLY 51 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.17 -0.28 0.00 -0.02 0.00 -1.25 -2.55 105.19 98.92 1sh4 n GLY 52 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 3.00 0.00 -0.60 1.61 -0.08 -1.26 -3.21 116.55 116.01 1sh4 n ASP 53 Ca 0.00 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.32 1sh4 n ASP 53 Cb 0.00 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.52 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 0.23 2.30 -0.00 -1.67 0.00 0.26 -4.76 120.51 116.86 1sh4 n ALA 54 Ca 0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 53.44 51.43 1sh4 n ALA 54 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 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 4.74 1.32 0.14 0.00 2.02 -1.69 0.13 112.91 119.56 1sh4 h THR 55 Ca -0.04 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1sh4 h THR 55 Cb 1.36 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 1sh4 h THR 55 CO 0.02 0.26 -0.14 -0.08 0.37 0.00 0.00 175.52 175.95 1sh4 h GLU 56 N -0.45 -0.29 -0.18 6.66 4.81 -1.89 -1.53 114.58 121.70 1sh4 h GLU 56 Ca -0.00 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1sh4 h GLU 56 Cb 0.44 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1sh4 h GLU 56 CO 0.00 -0.20 -0.26 -0.97 -0.73 0.00 0.00 179.01 176.86 1sh4 h ASN 57 N -0.31 0.32 -0.20 1.04 -0.00 -1.91 0.17 115.58 114.69 1sh4 h ASN 57 Ca 0.00 -0.10 0.04 0.00 -0.00 0.00 0.00 56.30 56.24 1sh4 h ASN 57 Cb 0.29 -0.09 -0.04 0.00 -0.00 0.00 0.00 38.32 38.49 1sh4 h ASN 57 CO -0.04 0.59 -0.03 0.15 -0.00 0.00 0.00 177.43 178.10 1sh4 h PHE 58 N 0.29 -0.07 0.00 0.67 3.57 -0.50 -3.15 116.94 117.75 1sh4 h PHE 58 Ca 0.04 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 1sh4 h PHE 58 Cb 0.62 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1sh4 h PHE 58 CO 0.01 -0.06 -0.52 0.93 -2.23 0.00 0.00 178.31 176.44 1sh4 h GLU 59 N 0.02 0.00 0.17 1.11 4.39 -0.79 0.60 114.58 120.08 1sh4 h GLU 59 Ca 0.09 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1sh4 h GLU 59 Cb 0.14 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1sh4 h GLU 59 CO -0.19 0.52 -0.50 0.22 -1.16 0.00 0.00 179.01 177.91 1sh4 h ASP 60 N 0.00 -1.47 -0.43 1.42 3.58 -0.68 -2.37 116.42 116.47 1sh4 h ASP 60 Ca -0.01 0.15 -0.13 0.00 0.42 0.00 0.00 57.03 57.47 1sh4 h ASP 60 Cb 1.32 0.54 -0.01 0.00 1.72 0.00 0.00 39.33 42.90 1sh4 h ASP 60 CO 0.07 -0.56 -0.23 0.58 -2.88 0.00 0.00 179.24 176.22 1sh4 h VAL 61 N -0.76 1.27 0.00 2.25 2.07 -1.60 -3.47 116.25 116.01 1sh4 h VAL 61 Ca -0.00 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1sh4 h VAL 61 Cb 0.76 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1sh4 h VAL 61 CO -0.25 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1sh4 n GLY 62 N -0.05 1.06 3.73 2.17 0.00 0.21 -4.93 105.19 107.39 1sh4 n GLY 62 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1sh4 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sh4 s HIS 63 N -0.30 2.21 0.00 1.61 3.76 -1.26 -4.80 115.29 116.51 1sh4 s HIS 63 Ca 0.00 1.61 0.00 0.00 -0.15 0.00 0.00 55.06 56.52 1sh4 s HIS 63 Cb 0.00 -3.34 0.00 0.00 1.11 0.00 0.00 32.58 30.35 1sh4 s HIS 63 CO 0.00 -2.30 0.00 0.43 -0.85 0.00 0.00 174.74 172.02 1sh4 n SER 64 N -2.86 0.00 -0.03 1.40 7.64 -1.26 0.76 113.62 119.26 1sh4 n SER 64 Ca 0.12 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.86 1sh4 n SER 64 Cb 0.51 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 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 1.53 -0.50 0.44 1.35 -2.00 -3.28 112.91 110.45 1sh4 h THR 65 Ca 0.00 -1.67 0.08 0.00 -0.55 0.00 0.00 66.41 64.27 1sh4 h THR 65 Cb 0.00 2.61 -0.08 0.00 -1.73 0.00 0.00 68.15 68.95 1sh4 h THR 65 CO 0.00 0.44 -0.20 -0.67 -0.25 0.00 0.00 175.52 174.85 1sh4 n ASP 66 N -4.68 -0.33 -0.09 5.36 -0.08 -1.26 -0.15 116.55 115.32 1sh4 n ASP 66 Ca -0.09 0.88 -0.10 0.00 -1.51 0.00 0.00 54.79 53.97 1sh4 n ASP 66 Cb 0.38 -0.20 -0.03 0.00 2.34 0.00 0.00 41.12 43.62 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 0.69 0.38 -0.63 -1.67 0.00 -1.99 0.14 119.26 116.18 1sh4 h ALA 67 Ca 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1sh4 h ALA 67 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1sh4 h ALA 67 CO -0.50 -0.01 0.29 0.00 0.00 0.00 0.00 179.25 179.03 1sh4 h ARG 68 N 0.33 0.90 0.03 0.00 3.08 -0.60 0.15 114.38 118.26 1sh4 h ARG 68 Ca 0.10 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1sh4 h ARG 68 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1sh4 h ARG 68 CO -0.01 0.70 -0.01 0.93 -1.07 0.00 0.00 179.97 180.51 1sh4 h GLU 69 N 0.89 -0.04 -0.78 0.04 4.39 -0.36 -2.94 114.58 115.78 1sh4 h GLU 69 Ca 0.22 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.10 1sh4 h GLU 69 Cb 0.11 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.65 1sh4 h GLU 69 CO -0.03 0.26 0.20 1.25 -1.16 0.00 0.00 179.01 179.54 1sh4 h LEU 70 N -0.35 0.02 -1.72 1.33 7.12 -0.35 -2.23 115.31 119.13 1sh4 h LEU 70 Ca -0.00 0.16 0.21 0.00 0.13 0.00 0.00 57.88 58.38 1sh4 h LEU 70 Cb 0.32 0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.61 1sh4 h LEU 70 CO 0.01 -0.06 0.58 0.77 -0.13 0.00 0.00 178.44 179.61 1sh4 h SER 71 N 0.26 0.23 -1.00 1.25 4.64 -0.52 0.23 113.55 118.64 1sh4 h SER 71 Ca 0.45 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.84 1sh4 h SER 71 Cb 0.81 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.82 1sh4 h SER 71 CO -0.55 0.09 0.65 0.11 -0.87 0.00 0.00 176.83 176.27 1sh4 h LYS 72 N 0.23 1.22 -0.36 4.77 1.57 -1.46 0.36 116.57 122.91 1sh4 h LYS 72 Ca 0.43 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1sh4 h LYS 72 Cb 1.31 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1sh4 h LYS 72 CO -0.10 0.81 0.00 -2.37 -0.57 0.00 0.00 179.45 177.22 1sh4 n THR 73 N -4.44 0.49 0.00 -0.16 5.66 0.77 -3.62 114.28 112.98 1sh4 n THR 73 Ca 0.14 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1sh4 n THR 73 Cb 0.10 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.06 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 0.46 0.00 -2.04 1.09 3.72 -0.33 -5.05 117.46 115.31 1sh4 n PHE 74 Ca 0.11 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.17 1sh4 n PHE 74 Cb 0.30 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.96 3.07 -0.02 4.37 1.01 0.11 -0.60 121.20 127.17 1sh4 s ILE 75 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.28 1sh4 s ILE 75 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1sh4 s ILE 75 CO 0.00 -0.20 0.01 2.30 0.00 0.00 0.00 174.94 177.05 1sh4 n ILE 76 N -1.73 0.17 0.00 2.92 -5.35 0.15 -4.79 119.36 110.72 1sh4 n ILE 76 Ca 0.12 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1sh4 n ILE 76 Cb 0.51 -0.83 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 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 2.80 -0.83 3.17 3.28 0.00 -1.10 -4.77 105.19 107.74 1sh4 n GLY 77 Ca -0.04 0.43 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.89 -0.00 1.61 0.41 -1.26 -0.51 118.70 119.84 1sh4 s GLU 78 Ca 0.00 -1.39 0.02 0.00 -0.41 0.00 0.00 54.97 53.18 1sh4 s GLU 78 Cb 0.00 -0.05 0.05 0.00 -1.78 0.00 0.00 34.13 32.35 1sh4 s GLU 78 CO 0.00 -0.12 0.97 1.47 -0.49 0.00 0.00 175.26 177.09 1sh4 n LEU 79 N -0.08 0.44 -0.01 1.80 -0.00 -0.24 -0.15 117.00 118.76 1sh4 n LEU 79 Ca -0.09 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 1sh4 n LEU 79 Cb 0.62 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1sh4 n LEU 79 CO 0.31 0.10 -0.00 1.57 -0.00 0.00 0.00 177.39 179.37 1sh4 n HIS 80 N -0.29 -0.02 1.59 1.47 -0.00 -1.24 -4.06 115.22 112.68 1sh4 n HIS 80 Ca 0.02 0.01 0.15 0.00 -0.00 0.00 0.00 57.72 57.90 1sh4 n HIS 80 Cb 0.09 -0.69 0.74 0.00 -0.00 0.00 0.00 29.99 30.12 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 -1.32 0.79 -1.21 1.57 -0.04 -1.26 -2.14 135.00 131.39 1sh4 n PRO 81 Ca 0.00 -0.16 -0.27 0.00 -0.04 0.00 0.00 63.50 63.03 1sh4 n PRO 81 Cb 0.00 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.96 5.40 0.21 3.54 2.03 -1.26 -4.39 116.55 121.12 1sh4 n ASP 82 Ca 0.18 -3.60 0.00 0.00 0.52 0.00 0.00 54.79 51.89 1sh4 n ASP 82 Cb 0.23 -0.89 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 -0.93 -3.05 0.00 1.67 -0.08 -1.22 -5.03 116.55 107.91 1sh4 n ASP 83 Ca 0.58 0.80 0.00 0.00 -1.51 0.00 0.00 54.79 54.66 1sh4 n ASP 83 Cb 1.19 2.89 0.00 0.00 2.34 0.00 0.00 41.12 47.54 1sh4 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86