#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa4 n GLU 7 N 0.00 0.00 -0.56 1.97 1.02 -1.26 -5.00 120.64 116.82 1pa4 n GLU 7 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 1pa4 n GLU 7 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1pa4 n GLU 7 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pa4 n ARG 8 N -1.78 -1.12 -0.28 3.49 1.74 -1.26 -2.00 116.66 115.44 1pa4 n ARG 8 Ca 0.00 0.74 0.33 0.00 -0.77 0.00 0.00 57.85 58.15 1pa4 n ARG 8 Cb 0.00 -1.37 0.74 0.00 -1.02 0.00 0.00 32.46 30.82 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 1pa4 h LEU 9 N 0.00 0.00 -0.08 0.55 -0.00 -2.02 -0.91 115.31 112.85 1pa4 h LEU 9 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1pa4 h LEU 9 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.12 1pa4 h LEU 9 CO 0.00 0.00 -0.41 -0.08 -0.00 0.00 0.00 178.44 177.95 1pa4 h GLU 10 N 0.00 -0.44 -0.42 0.17 4.81 -1.98 0.39 114.58 117.11 1pa4 h GLU 10 Ca 0.53 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.85 1pa4 h GLU 10 Cb 2.12 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.58 1pa4 h GLU 10 CO -0.01 -0.29 0.29 -0.97 -0.73 0.00 0.00 179.01 177.30 1pa4 h ASN 11 N -0.46 0.25 0.21 1.04 -0.73 -0.54 -1.28 115.58 114.07 1pa4 h ASN 11 Ca 0.02 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1pa4 h ASN 11 Cb 0.52 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 1pa4 h ASN 11 CO -0.32 0.16 -0.14 -0.78 -0.37 0.00 0.00 177.43 175.98 1pa4 h ASP 12 N 0.29 -0.37 0.07 1.15 1.82 -0.45 0.19 116.42 119.12 1pa4 h ASP 12 Ca 0.19 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.87 1pa4 h ASP 12 Cb 0.37 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.47 1pa4 h ASP 12 CO -0.04 -0.23 -0.17 0.40 -1.61 0.00 0.00 179.24 177.59 1pa4 h ILE 13 N -0.35 0.59 -0.67 2.25 5.03 0.71 0.14 117.51 125.22 1pa4 h ILE 13 Ca -0.01 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.86 1pa4 h ILE 13 Cb 0.31 0.59 -0.10 0.00 -3.03 0.00 0.00 36.82 34.59 1pa4 h ILE 13 CO 0.00 0.00 0.12 0.40 -0.68 0.00 0.00 178.15 177.99 1pa4 h ILE 14 N -0.32 0.54 0.00 -0.67 5.03 -1.06 1.04 117.51 122.07 1pa4 h ILE 14 Ca 0.03 -0.08 -0.02 0.00 -0.12 0.00 0.00 64.86 64.68 1pa4 h ILE 14 Cb 0.36 0.29 -0.00 0.00 -3.03 0.00 0.00 36.82 34.44 1pa4 h ILE 14 CO -0.12 0.04 -0.08 -0.09 -0.68 0.00 0.00 178.15 177.22 1pa4 h ARG 15 N 0.23 0.00 0.55 2.37 2.43 0.25 -2.69 114.38 117.52 1pa4 h ARG 15 Ca 0.37 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.51 1pa4 h ARG 15 Cb 0.60 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1pa4 h ARG 15 CO -0.49 0.08 -0.26 1.25 -1.51 0.00 0.00 179.97 179.04 1pa4 h LEU 16 N 0.00 -0.63 -1.63 3.80 5.85 0.39 0.17 115.31 123.27 1pa4 h LEU 16 Ca -0.00 0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.96 1pa4 h LEU 16 Cb 0.36 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1pa4 h LEU 16 CO 0.01 -0.40 0.61 0.40 -0.34 0.00 0.00 178.44 178.72 1pa4 h ILE 17 N -0.84 0.64 -0.42 4.05 1.08 -1.33 0.42 117.51 121.11 1pa4 h ILE 17 Ca -0.08 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.23 1pa4 h ILE 17 Cb 0.57 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 1pa4 h ILE 17 CO 0.12 0.05 0.02 -1.13 -0.69 0.00 0.00 178.15 176.53 1pa4 h ASN 18 N 0.30 0.70 -0.99 1.72 -1.24 -1.20 0.58 115.58 115.45 1pa4 h ASN 18 Ca 0.46 -0.29 0.16 0.00 0.71 0.00 0.00 56.30 57.34 1pa4 h ASN 18 Cb 1.31 -0.19 -0.10 0.00 0.73 0.00 0.00 38.32 40.08 1pa4 h ASN 18 CO -0.14 0.82 0.61 -0.09 -1.29 0.00 0.00 177.43 177.34 1pa4 h ARG 19 N 0.56 0.83 0.05 6.67 1.12 0.29 0.18 114.38 124.08 1pa4 h ARG 19 Ca 0.12 -0.05 -0.24 0.00 -1.11 0.00 0.00 59.98 58.70 1pa4 h ARG 19 Cb 0.44 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 1pa4 h ARG 19 CO 0.02 0.55 -1.04 0.00 -3.11 0.00 0.00 179.97 176.38 1pa4 h THR 20 N 0.85 1.45 0.00 0.20 1.03 -1.11 -2.93 112.91 112.40 1pa4 h THR 20 Ca 0.54 -2.68 0.00 0.00 -0.01 0.00 0.00 66.41 64.26 1pa4 h THR 20 Cb 0.71 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.41 1pa4 h THR 20 CO -0.33 0.79 0.00 0.52 -0.01 0.00 0.00 175.52 176.49 1pa4 n VAL 21 N -3.66 0.40 -0.18 0.00 0.31 0.17 -1.56 118.33 113.81 1pa4 n VAL 21 Ca -0.07 0.10 -0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1pa4 n VAL 21 Cb 0.90 -0.81 0.01 0.00 -0.91 0.00 0.00 33.84 33.03 1pa4 n VAL 21 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1pa4 h ILE 22 N 0.00 0.22 0.00 2.52 1.08 -0.55 -3.37 117.51 117.42 1pa4 h ILE 22 Ca 0.00 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.34 1pa4 h ILE 22 Cb 0.14 0.22 -0.13 0.00 -3.07 0.00 0.00 36.82 33.99 1pa4 h ILE 22 CO 0.00 0.00 -0.28 1.41 -0.69 0.00 0.00 178.15 178.59 1pa4 n HIS 23 N -5.43 0.00 -2.47 1.37 8.25 -1.22 -4.96 115.22 110.76 1pa4 n HIS 23 Ca 0.04 -0.48 -0.21 0.00 -0.26 0.00 0.00 57.72 56.80 1pa4 n HIS 23 Cb 0.35 0.49 0.01 0.00 1.12 0.00 0.00 29.99 31.96 1pa4 n HIS 23 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pa4 n GLU 24 N 0.00 2.89 -2.81 -0.41 4.07 -0.60 -4.73 120.64 119.04 1pa4 n GLU 24 Ca -0.27 -4.14 -0.01 0.00 -0.06 0.00 0.00 57.16 52.68 1pa4 n GLU 24 Cb 0.69 -2.01 0.05 0.00 -0.06 0.00 0.00 31.44 30.11 1pa4 n GLU 24 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1pa4 n ILE 25 N -0.44 1.18 0.00 6.31 2.08 -1.26 -4.70 119.36 122.53 1pa4 n ILE 25 Ca 0.32 -2.86 0.00 0.00 0.56 0.00 0.00 62.75 60.77 1pa4 n ILE 25 Cb 0.75 1.21 0.00 0.00 -0.75 0.00 0.00 39.64 40.85 1pa4 n ILE 25 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1pa4 n TYR 26 N -0.57 0.00 -4.02 1.39 4.02 -1.26 -4.05 117.16 112.67 1pa4 n TYR 26 Ca 0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.62 1pa4 n TYR 26 Cb 0.81 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.98 1pa4 n TYR 26 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1pa4 s ASN 27 N -4.00 4.12 -0.53 7.72 3.84 -1.26 -5.04 114.94 119.80 1pa4 s ASN 27 Ca 0.00 -0.98 -0.35 0.00 0.21 0.00 0.00 52.86 51.74 1pa4 s ASN 27 Cb 0.00 -1.60 -0.17 0.00 -0.55 0.00 0.00 41.25 38.93 1pa4 s ASN 27 CO 0.00 -0.12 1.95 1.21 -2.79 0.00 0.00 177.10 177.35 1pa4 n GLU 28 N 4.59 0.00 0.03 0.43 4.07 -1.26 -4.54 120.64 123.97 1pa4 n GLU 28 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 1pa4 n GLU 28 Cb 0.46 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.55 1pa4 n GLU 28 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1pa4 n THR 29 N 5.79 0.00 0.17 6.31 -1.04 -1.26 -4.85 114.28 119.40 1pa4 n THR 29 Ca 0.49 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.60 1pa4 n THR 29 Cb -0.02 -0.06 0.51 0.00 -1.82 0.00 0.00 70.33 68.94 1pa4 n THR 29 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1pa4 h VAL 30 N 0.00 0.00 -0.81 12.58 -1.51 -1.84 -1.58 116.25 123.09 1pa4 h VAL 30 Ca 0.00 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.71 1pa4 h VAL 30 Cb 0.00 0.41 -0.03 0.00 -2.13 0.00 0.00 31.29 29.54 1pa4 h VAL 30 CO 0.00 0.00 0.90 0.50 -1.23 0.00 0.00 177.57 177.74 1pa4 h LYS 31 N 0.00 0.00 0.11 5.19 1.63 -1.88 1.75 116.57 123.37 1pa4 h LYS 31 Ca 0.00 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.50 1pa4 h LYS 31 Cb 0.28 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 31.94 1pa4 h LYS 31 CO 0.00 0.00 -1.24 0.00 -3.45 0.00 0.00 179.45 174.76 1pa4 h THR 32 N 0.00 1.28 -0.82 1.00 1.03 -1.68 -3.46 112.91 110.26 1pa4 h THR 32 Ca 0.39 -2.45 -0.63 0.00 -0.01 0.00 0.00 66.41 63.71 1pa4 h THR 32 Cb 2.18 2.67 0.05 0.00 -1.07 0.00 0.00 68.15 71.99 1pa4 h THR 32 CO -0.00 0.75 -0.03 0.61 -0.01 0.00 0.00 175.52 176.83 1pa4 n GLY 33 N 1.36 -0.44 0.00 2.99 0.00 0.60 -4.71 105.19 104.99 1pa4 n GLY 33 Ca -0.14 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1pa4 n GLY 33 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pa4 n HIS 34 N 1.02 0.00 0.00 1.61 -0.00 -1.26 -5.01 115.22 111.58 1pa4 n HIS 34 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 1pa4 n HIS 34 Cb 0.09 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1pa4 n HIS 34 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1pa4 n VAL 35 N -0.39 0.00 0.00 3.57 0.31 -0.19 -4.63 118.33 116.99 1pa4 n VAL 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1pa4 n VAL 35 Cb 0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1pa4 n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1pa4 n THR 36 N 0.00 0.00 0.00 2.52 5.66 -1.24 -3.00 114.28 118.22 1pa4 n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pa4 n THR 36 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1pa4 n THR 36 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1pa4 n HIS 37 N 0.00 0.00 -2.32 1.09 -0.00 -1.26 -5.07 115.22 107.65 1pa4 n HIS 37 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pa4 n HIS 37 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.99 29.97 1pa4 n HIS 37 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 1pa4 n VAL 38 N -1.20-11.32 -3.79 3.57 3.14 -1.21 -4.94 118.33 102.57 1pa4 n VAL 38 Ca 0.00 2.66 -0.36 0.00 -2.96 0.00 0.00 64.34 63.69 1pa4 n VAL 38 Cb 0.00 -5.40 -0.12 0.00 -1.06 0.00 0.00 33.84 27.26 1pa4 n VAL 38 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1pa4 s LYS 39 N -0.51 2.04 -0.72 1.45 2.36 0.11 -4.95 119.74 119.53 1pa4 s LYS 39 Ca -0.01 -1.76 -0.26 0.00 -2.55 0.00 0.00 55.97 51.40 1pa4 s LYS 39 Cb 0.00 -3.54 -0.07 0.00 -1.05 0.00 0.00 37.83 33.18 1pa4 s LYS 39 CO 0.03 -1.02 2.13 -1.17 1.55 0.00 0.00 175.35 176.88 1pa4 s LEU 40 N 1.15 3.17 -0.02 5.43 1.98 -1.26 -2.28 118.68 126.85 1pa4 s LEU 40 Ca 0.07 0.12 -0.22 0.00 -2.89 0.00 0.00 54.13 51.20 1pa4 s LEU 40 Cb -0.22 -2.54 -0.05 0.00 0.66 0.00 0.00 46.19 44.04 1pa4 s LEU 40 CO -0.04 -2.97 0.67 -0.55 -1.89 0.00 0.00 176.35 171.57 1pa4 s SER 41 N 9.61 7.03 0.02 3.68 0.15 -0.31 -4.69 113.70 129.19 1pa4 s SER 41 Ca 0.80 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.68 1pa4 s SER 41 Cb -0.12 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1pa4 s SER 41 CO 0.12 0.01 0.00 0.47 1.20 0.00 0.00 173.24 175.04 1pa4 n ASP 42 N 3.12 0.00 -2.69 5.45 8.00 -1.26 -2.85 116.55 126.31 1pa4 n ASP 42 Ca -0.04 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.40 1pa4 n ASP 42 Cb 0.51 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.71 1pa4 n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1pa4 n ASP 43 N 4.01 -1.76 0.00 -2.24 2.03 -1.26 -4.91 116.55 112.43 1pa4 n ASP 43 Ca 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1pa4 n ASP 43 Cb 0.00 1.49 0.00 0.00 -0.72 0.00 0.00 41.12 41.89 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pa4 n LEU 44 N 0.51 0.00 -0.29 -2.67 4.77 -1.14 -4.86 117.00 113.32 1pa4 n LEU 44 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1pa4 n LEU 44 Cb 0.73 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.94 1pa4 n LEU 44 CO -0.04 0.00 1.17 -0.07 -1.33 0.00 0.00 177.39 177.12 1pa4 h LEU 45 N 0.00 1.05 -6.81 2.23 3.38 -1.70 -3.38 115.31 110.08 1pa4 h LEU 45 Ca 0.00 -0.09 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 1pa4 h LEU 45 Cb 0.00 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.08 1pa4 h LEU 45 CO 0.00 0.84 -0.79 -1.00 0.09 0.00 0.00 178.44 177.59 1pa4 s HIS 46 N -5.78 0.54 -0.72 1.13 3.76 -1.13 -3.95 115.29 109.14 1pa4 s HIS 46 Ca -0.12 -1.09 -0.19 0.00 -0.15 0.00 0.00 55.06 53.52 1pa4 s HIS 46 Cb 0.17 -1.01 0.12 0.00 1.11 0.00 0.00 32.58 32.98 1pa4 s HIS 46 CO 0.82 -0.83 0.85 0.08 -0.85 0.00 0.00 174.74 174.80 1pa4 s VAL 47 N 1.90 4.86 -0.86 -0.90 1.01 -1.26 -1.16 120.40 123.98 1pa4 s VAL 47 Ca 0.10 -1.29 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 1pa4 s VAL 47 Cb -0.17 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1pa4 s VAL 47 CO -0.31 -1.25 1.39 -0.89 0.00 0.00 0.00 175.10 174.05 1pa4 s THR 48 N 2.47 3.78 -0.25 3.92 2.01 -0.97 -1.74 115.64 124.87 1pa4 s THR 48 Ca 0.19 -0.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 1pa4 s THR 48 Cb -0.16 -4.92 -0.03 0.00 0.01 0.00 0.00 72.50 67.40 1pa4 s THR 48 CO 0.00 -1.83 0.48 0.68 -0.69 0.00 0.00 174.62 173.26 1pa4 s VAL 49 N 5.67 5.11 -2.02 3.82 -7.23 0.16 0.07 120.40 125.98 1pa4 s VAL 49 Ca 0.42 0.81 0.30 0.00 -1.81 0.00 0.00 61.98 61.70 1pa4 s VAL 49 Cb -0.05 -3.80 0.65 0.00 0.56 0.00 0.00 36.38 33.74 1pa4 s VAL 49 CO 0.04 0.13 1.96 -1.22 -0.31 0.00 0.00 175.10 175.70 1pa4 n TYR 50 N 5.31 0.00 0.00 2.82 4.02 -1.26 0.23 117.16 128.28 1pa4 n TYR 50 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1pa4 n TYR 50 Cb 0.50 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 1pa4 n TYR 50 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1pa4 n LEU 51 N -0.65 0.00 0.00 7.72 4.77 -1.16 -3.77 117.00 123.91 1pa4 n LEU 51 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1pa4 n LEU 51 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1pa4 n LEU 51 CO 0.20 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.59 1pa4 n ASP 52 N 2.44 -1.02 0.00 -1.43 -0.08 -1.26 -1.02 116.55 114.19 1pa4 n ASP 52 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1pa4 n ASP 52 Cb 0.00 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 42.58 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa4 h TYR 54 N 0.00 0.48 0.00 0.00 3.20 -1.90 -3.41 116.97 115.35 1pa4 h TYR 54 Ca 0.00 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.52 1pa4 h TYR 54 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1pa4 h TYR 54 CO 0.00 1.77 0.00 0.09 -1.64 0.00 0.00 178.16 178.38 1pa4 n ASN 55 N -3.54 0.00 0.00 -2.11 4.13 -1.24 -5.09 115.26 107.41 1pa4 n ASN 55 Ca -0.31 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.95 1pa4 n ASN 55 Cb 1.03 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.27 1pa4 n ASN 55 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1pa4 n ARG 56 N -1.13 0.00 0.00 3.52 1.85 -1.26 -4.93 116.66 114.71 1pa4 n ARG 56 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 56.95 1pa4 n ARG 56 Cb 0.00 0.00 0.57 0.00 -1.05 0.00 0.00 32.46 31.98 1pa4 n ARG 56 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1pa4 n GLU 57 N 0.00 0.53 -0.02 2.89 0.28 -1.26 -1.98 120.64 121.07 1pa4 n GLU 57 Ca 0.00 0.03 0.06 0.00 -0.16 0.00 0.00 57.16 57.09 1pa4 n GLU 57 Cb 0.00 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.24 1pa4 n GLU 57 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1pa4 n GLN 58 N -1.09 0.67 -0.08 3.44 7.27 -1.26 -4.51 117.38 121.81 1pa4 n GLN 58 Ca 0.13 -0.13 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 1pa4 n GLN 58 Cb 0.10 -1.40 -0.01 0.00 2.41 0.00 0.00 30.24 31.34 1pa4 n GLN 58 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 1pa4 h ILE 59 N 0.00 0.34 -1.17 1.69 6.09 -1.77 0.36 117.51 123.05 1pa4 h ILE 59 Ca -0.07 0.00 0.45 0.00 -1.37 0.00 0.00 64.86 63.87 1pa4 h ILE 59 Cb 0.96 0.34 -0.16 0.00 0.47 0.00 0.00 36.82 38.43 1pa4 h ILE 59 CO 0.00 0.00 0.69 -0.78 -3.07 0.00 0.00 178.15 174.99 1pa4 h ASP 60 N -0.23 0.27 0.00 2.19 1.82 -1.79 2.13 116.42 120.81 1pa4 h ASP 60 Ca 0.16 0.22 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1pa4 h ASP 60 Cb 0.48 0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.72 1pa4 h ASP 60 CO -0.45 -0.37 -0.01 0.03 -1.61 0.00 0.00 179.24 176.83 1pa4 h ARG 61 N 0.00 0.01 0.28 0.28 2.47 -0.67 -2.48 114.38 114.27 1pa4 h ARG 61 Ca 0.87 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.57 1pa4 h ARG 61 Cb 2.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.84 1pa4 h ARG 61 CO -0.64 0.86 -0.13 0.28 0.56 0.00 0.00 179.97 180.90 1pa4 h VAL 62 N -0.85 0.00 -0.93 2.04 2.07 0.26 -1.50 116.25 117.34 1pa4 h VAL 62 Ca -0.00 -0.08 0.26 0.00 0.82 0.00 0.00 66.70 67.69 1pa4 h VAL 62 Cb 0.86 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.47 1pa4 h VAL 62 CO 0.00 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.27 1pa4 h VAL 63 N -0.45 0.13 -0.88 2.57 2.07 0.29 1.89 116.25 121.86 1pa4 h VAL 63 Ca -0.04 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1pa4 h VAL 63 Cb 0.28 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.05 1pa4 h VAL 63 CO 0.06 0.01 0.57 1.23 0.02 0.00 0.00 177.57 179.47 1pa4 h GLY 64 N 0.06 1.27 1.08 2.17 0.00 -1.37 -1.31 103.07 104.98 1pa4 h GLY 64 Ca 0.57 -0.39 -0.25 0.00 0.00 0.00 0.00 47.33 47.26 1pa4 h GLY 64 CO -0.82 0.27 -1.02 0.00 0.00 0.00 0.00 176.54 174.97 1pa4 h ALA 65 N 1.53 0.04 -0.09 3.60 0.00 0.36 -3.13 119.26 121.57 1pa4 h ALA 65 Ca 0.39 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1pa4 h ALA 65 Cb 0.25 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pa4 h ALA 65 CO -0.15 0.59 0.22 0.74 0.00 0.00 0.00 179.25 180.64 1pa4 h PHE 66 N 0.17 0.00 0.00 0.00 -1.00 0.15 -2.05 116.94 114.21 1pa4 h PHE 66 Ca -0.15 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.58 1pa4 h PHE 66 Cb 1.71 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.25 1pa4 h PHE 66 CO 0.13 0.00 -0.10 -1.71 -1.61 0.00 0.00 178.31 175.02 1pa4 n ASN 67 N -3.30 4.76 0.00 2.17 2.85 -0.57 -2.76 115.26 118.40 1pa4 n ASN 67 Ca -0.00 -2.30 0.00 0.00 -0.11 0.00 0.00 54.58 52.17 1pa4 n ASN 67 Cb 0.30 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.23 1pa4 n ASN 67 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pa4 n GLN 68 N 1.88 0.00 0.16 1.20 10.64 -0.89 -4.95 117.38 125.42 1pa4 n GLN 68 Ca 0.13 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.33 1pa4 n GLN 68 Cb 0.57 0.00 0.17 0.00 -0.86 0.00 0.00 30.24 30.12 1pa4 n GLN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pa4 h ALA 69 N 0.00 0.80 -1.57 2.61 0.00 -1.27 -3.16 119.26 116.68 1pa4 h ALA 69 Ca 0.00 -0.44 0.45 0.00 0.00 0.00 0.00 54.91 54.93 1pa4 h ALA 69 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1pa4 h ALA 69 CO 0.00 0.60 1.30 -0.22 0.00 0.00 0.00 179.25 180.93 1pa4 h LYS 70 N 0.00 0.00 0.93 0.00 3.64 -1.79 0.51 116.57 119.86 1pa4 h LYS 70 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1pa4 h LYS 70 Cb 1.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1pa4 h LYS 70 CO 0.06 0.00 -0.45 0.78 -2.27 0.00 0.00 179.45 177.58 1pa4 h GLY 71 N 0.00 -1.30 0.84 5.01 0.00 -1.87 0.17 103.07 105.91 1pa4 h GLY 71 Ca 0.74 0.48 0.08 0.00 0.00 0.00 0.00 47.33 48.64 1pa4 h GLY 71 CO -0.01 -0.47 0.56 -0.39 0.00 0.00 0.00 176.54 176.23 1pa4 h VAL 72 N -1.33 1.01 -0.11 4.60 -1.51 -0.25 -0.99 116.25 117.68 1pa4 h VAL 72 Ca -0.13 -0.31 -0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1pa4 h VAL 72 Cb 0.96 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 1pa4 h VAL 72 CO 0.21 0.16 0.06 -0.26 -1.23 0.00 0.00 177.57 176.52 1pa4 h PHE 73 N 0.90 0.14 0.00 5.19 0.04 -1.08 -0.96 116.94 121.16 1pa4 h PHE 73 Ca 0.38 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.14 1pa4 h PHE 73 Cb 0.31 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1pa4 h PHE 73 CO -0.00 0.14 -0.06 1.03 -0.60 0.00 0.00 178.31 178.81 1pa4 h SER 74 N 0.10 0.00 -0.00 2.17 0.87 0.28 -1.16 113.55 115.81 1pa4 h SER 74 Ca 0.04 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1pa4 h SER 74 Cb 0.04 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1pa4 h SER 74 CO -0.01 0.06 -0.53 -0.09 -0.53 0.00 0.00 176.83 175.73 1pa4 h ARG 75 N 0.00 0.58 -0.07 2.24 2.43 -0.43 -2.39 114.38 116.74 1pa4 h ARG 75 Ca -0.00 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 58.83 1pa4 h ARG 75 Cb 0.11 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1pa4 h ARG 75 CO 0.01 0.96 -0.37 0.28 -1.51 0.00 0.00 179.97 179.33 1pa4 h VAL 76 N 0.45 0.00 -0.07 0.20 2.07 0.11 0.25 116.25 119.26 1pa4 h VAL 76 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1pa4 h VAL 76 Cb 1.07 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1pa4 h VAL 76 CO 0.10 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.67 1pa4 h LEU 77 N -0.42 0.04 -0.30 2.57 4.07 -1.60 -1.52 115.31 118.16 1pa4 h LEU 77 Ca 0.02 -0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.02 1pa4 h LEU 77 Cb 0.48 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.17 1pa4 h LEU 77 CO -0.29 0.03 0.08 0.00 -1.08 0.00 0.00 178.44 177.18 1pa4 h ALA 78 N 1.96 0.33 -1.68 1.53 0.00 -0.14 0.13 119.26 121.40 1pa4 h ALA 78 Ca 0.03 0.05 0.50 0.00 0.00 0.00 0.00 54.91 55.48 1pa4 h ALA 78 Cb 0.05 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1pa4 h ALA 78 CO -0.00 -0.33 1.18 1.25 0.00 0.00 0.00 179.25 181.35 1pa4 h HIS 79 N 0.20 0.12 0.00 0.00 6.17 0.43 -3.19 115.15 118.89 1pa4 h HIS 79 Ca 0.14 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.23 1pa4 h HIS 79 Cb 0.13 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.03 1pa4 h HIS 79 CO -0.16 -0.05 0.00 0.09 0.71 0.00 0.00 177.93 178.52 1pa4 n ASN 80 N -4.16 0.00 -4.88 3.26 3.02 -0.00 -5.01 115.26 107.48 1pa4 n ASN 80 Ca 0.39 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.57 1pa4 n ASN 80 Cb 1.74 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.85 1pa4 n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pa4 s LEU 81 N -0.93 4.39 0.00 3.41 1.02 0.25 -4.95 118.68 121.86 1pa4 s LEU 81 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 54.13 54.61 1pa4 s LEU 81 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 44.11 1pa4 s LEU 81 CO 0.00 0.40 0.00 0.00 0.02 0.00 0.00 176.35 176.77 1pa4 n TYR 82 N 1.93 0.00 0.00 0.29 9.36 -1.26 -3.27 117.16 124.21 1pa4 n TYR 82 Ca -0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1pa4 n TYR 82 Cb 0.55 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 1pa4 n TYR 82 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1pa4 n LEU 83 N -0.56 0.00 0.00 2.98 0.00 -1.26 -2.02 117.00 116.13 1pa4 n LEU 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1pa4 n LEU 83 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1pa4 n LEU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.39 1pa4 n ALA 84 N 0.00 0.00 -2.40 1.96 0.00 -1.26 -5.14 120.51 113.67 1pa4 n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pa4 n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pa4 n ALA 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1pa4 n LYS 85 N -1.38 0.00 0.00 0.00 0.00 -0.86 -4.99 118.16 110.93 1pa4 n LYS 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1pa4 n LYS 85 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1pa4 n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pa4 n ALA 86 N -3.00 0.00 -2.55 0.58 0.00 -1.26 -4.37 120.51 109.91 1pa4 n ALA 86 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1pa4 n ALA 86 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1pa4 n ALA 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pa4 s VAL 87 N -0.05 2.31 0.00 0.00 -7.23 -1.25 -4.12 120.40 110.06 1pa4 s VAL 87 Ca 0.00 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1pa4 s VAL 87 Cb 0.00 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1pa4 s VAL 87 CO 0.00 -0.16 0.00 1.67 -0.31 0.00 0.00 175.10 176.30 1pa4 n GLN 88 N -0.89 0.00 -0.45 4.82 7.27 -1.26 -5.01 117.38 121.86 1pa4 n GLN 88 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1pa4 n GLN 88 Cb 0.64 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 1pa4 n GLN 88 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1pa4 n ILE 89 N 0.00 -2.23 -4.11 1.69 5.41 -1.26 -3.52 119.36 115.34 1pa4 n ILE 89 Ca 0.00 0.68 -0.13 0.00 1.00 0.00 0.00 62.75 64.30 1pa4 n ILE 89 Cb 0.00 -1.02 -0.11 0.00 -0.71 0.00 0.00 39.64 37.80 1pa4 n ILE 89 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1pa4 s HIS 90 N -2.27 0.80 0.30 1.39 5.65 -0.71 -4.92 115.29 115.53 1pa4 s HIS 90 Ca 0.00 -0.61 0.08 0.00 0.25 0.00 0.00 55.06 54.78 1pa4 s HIS 90 Cb 0.00 -0.46 -0.04 0.00 -1.18 0.00 0.00 32.58 30.90 1pa4 s HIS 90 CO 0.00 -0.08 0.18 -0.59 -0.65 0.00 0.00 174.74 173.59 1pa4 s PHE 91 N -2.02 2.87 0.00 3.88 -0.12 -1.26 -0.66 117.98 120.67 1pa4 s PHE 91 Ca -0.03 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 1pa4 s PHE 91 Cb -0.06 -1.55 0.00 0.00 -0.63 0.00 0.00 43.02 40.78 1pa4 s PHE 91 CO -0.01 0.39 0.43 0.28 -0.05 0.00 0.00 175.22 176.26 1pa4 n VAL 92 N -1.18 0.00 0.18 -2.49 0.31 0.14 -4.69 118.33 110.59 1pa4 n VAL 92 Ca -0.04 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.37 1pa4 n VAL 92 Cb 0.60 1.07 0.40 0.00 -0.91 0.00 0.00 33.84 35.00 1pa4 n VAL 92 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1pa4 n LYS 93 N 0.00 0.10 -0.02 5.55 -0.00 -1.25 -0.91 118.16 121.64 1pa4 n LYS 93 Ca 0.00 0.55 -0.03 0.00 -0.00 0.00 0.00 58.31 58.83 1pa4 n LYS 93 Cb 0.47 -1.80 -0.02 0.00 -0.00 0.00 0.00 35.03 33.68 1pa4 n LYS 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pa4 n ASP 94 N -2.01 3.79 0.31 -5.58 9.92 -1.26 -3.52 116.55 118.19 1pa4 n ASP 94 Ca -0.00 -0.02 0.17 0.00 -0.53 0.00 0.00 54.79 54.41 1pa4 n ASP 94 Cb 0.06 0.13 1.00 0.00 -0.64 0.00 0.00 41.12 41.67 1pa4 n ASP 94 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1pa4 h LYS 95 N 0.00 0.00 -0.00 -1.24 1.63 -1.73 0.64 116.57 115.87 1pa4 h LYS 95 Ca -0.10 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1pa4 h LYS 95 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1pa4 h LYS 95 CO -0.01 0.01 0.00 0.00 -3.45 0.00 0.00 179.45 176.00 1pa4 n ALA 96 N -2.25 2.68 -0.66 5.00 0.00 -0.08 -4.83 120.51 120.38 1pa4 n ALA 96 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1pa4 n ALA 96 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1pa4 n ALA 96 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1pa4 n ILE 97 N -0.94 0.00 -2.69 0.00 0.13 0.22 -3.59 119.36 112.49 1pa4 n ILE 97 Ca 0.23 0.00 -0.07 0.00 -1.10 0.00 0.00 62.75 61.82 1pa4 n ILE 97 Cb 0.12 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.94 1pa4 n ILE 97 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1pa4 n ASP 98 N 0.00 -3.09 -3.98 9.51 2.03 -1.22 -3.70 116.55 116.10 1pa4 n ASP 98 Ca 0.00 -0.13 -0.41 0.00 0.52 0.00 0.00 54.79 54.77 1pa4 n ASP 98 Cb 0.00 -1.77 0.02 0.00 -0.72 0.00 0.00 41.12 38.65 1pa4 n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pa4 n ASN 99 N 0.34 -4.42 0.00 1.67 3.02 -1.24 -4.88 115.26 109.75 1pa4 n ASN 99 Ca -0.01 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1pa4 n ASN 99 Cb 0.52 -1.84 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 1pa4 n ASN 99 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pa4 n ALA 100 N -4.49 0.00 0.00 5.41 0.00 -1.24 -5.16 120.51 115.03 1pa4 n ALA 100 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1pa4 n ALA 100 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1pa4 n ALA 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38