#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 1.65 0.00 1.97 1.02 -1.26 -4.83 120.64 119.19 1pa4 n GLU 7 Ca 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 1pa4 n GLU 7 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 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 4.40 0.00 -0.32 3.49 1.74 -1.26 -0.05 116.66 124.65 1pa4 n ARG 8 Ca 0.35 0.00 0.24 0.00 -0.77 0.00 0.00 57.85 57.68 1pa4 n ARG 8 Cb 0.11 0.00 0.47 0.00 -1.02 0.00 0.00 32.46 32.01 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 0.25 -0.70 0.55 -0.00 -1.99 0.31 115.31 113.72 1pa4 h LEU 9 Ca 0.00 0.23 0.10 0.00 -0.00 0.00 0.00 57.88 58.20 1pa4 h LEU 9 Cb 0.00 0.25 -0.12 0.00 -0.00 0.00 0.00 40.66 40.79 1pa4 h LEU 9 CO 0.00 -0.27 -0.46 -0.08 -0.00 0.00 0.00 178.44 177.62 1pa4 h GLU 10 N 0.15 -0.16 -0.46 0.17 4.81 -0.85 1.43 114.58 119.67 1pa4 h GLU 10 Ca 0.73 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 60.06 1pa4 h GLU 10 Cb 1.74 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1pa4 h GLU 10 CO -0.71 -0.11 0.32 -0.97 -0.73 0.00 0.00 179.01 176.81 1pa4 h ASN 11 N -0.17 0.22 -0.34 1.04 -1.24 0.57 0.29 115.58 115.95 1pa4 h ASN 11 Ca 0.19 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.18 1pa4 h ASN 11 Cb 0.55 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 1pa4 h ASN 11 CO -0.77 0.14 0.12 -0.78 -1.29 0.00 0.00 177.43 174.84 1pa4 h ASP 12 N 0.25 0.49 -0.22 1.15 1.82 0.21 0.21 116.42 120.33 1pa4 h ASP 12 Ca 0.21 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1pa4 h ASP 12 Cb 0.51 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1pa4 h ASP 12 CO -0.04 0.55 0.10 0.40 -1.61 0.00 0.00 179.24 178.64 1pa4 h ILE 13 N 0.40 1.14 -0.77 2.25 2.04 0.13 0.12 117.51 122.83 1pa4 h ILE 13 Ca 0.11 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1pa4 h ILE 13 Cb 0.23 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1pa4 h ILE 13 CO -0.01 0.14 0.47 0.40 0.00 0.00 0.00 178.15 179.16 1pa4 h ILE 14 N 0.21 1.06 0.00 -0.67 5.03 -0.88 0.22 117.51 122.48 1pa4 h ILE 14 Ca 0.07 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 1pa4 h ILE 14 Cb 0.13 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.01 1pa4 h ILE 14 CO -0.01 0.16 0.00 -0.09 -0.68 0.00 0.00 178.15 177.53 1pa4 h ARG 15 N 0.89 0.00 0.28 2.37 2.43 -0.14 -2.48 114.38 117.73 1pa4 h ARG 15 Ca 0.33 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1pa4 h ARG 15 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1pa4 h ARG 15 CO -0.15 0.00 -0.13 1.25 -1.51 0.00 0.00 179.97 179.43 1pa4 h LEU 16 N 0.00 -0.32 -2.35 3.80 7.12 0.22 0.28 115.31 124.06 1pa4 h LEU 16 Ca 0.00 0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.05 1pa4 h LEU 16 Cb 0.47 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1pa4 h LEU 16 CO 0.00 -0.12 0.13 0.40 -0.13 0.00 0.00 178.44 178.72 1pa4 h ILE 17 N -0.59 0.44 -0.07 4.05 1.08 -1.48 0.67 117.51 121.60 1pa4 h ILE 17 Ca -0.04 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.25 1pa4 h ILE 17 Cb 0.29 0.90 0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1pa4 h ILE 17 CO 0.06 0.00 -0.66 -1.13 -0.69 0.00 0.00 178.15 175.73 1pa4 h ASN 18 N 0.00 0.71 0.21 1.72 -1.24 -1.37 -2.57 115.58 113.04 1pa4 h ASN 18 Ca 0.05 -0.68 -0.01 0.00 0.71 0.00 0.00 56.30 56.37 1pa4 h ASN 18 Cb 0.30 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1pa4 h ASN 18 CO -0.00 1.29 -0.04 -0.09 -1.29 0.00 0.00 177.43 177.30 1pa4 h ARG 19 N 0.20 0.00 0.07 6.67 2.43 0.19 0.23 114.38 124.17 1pa4 h ARG 19 Ca -0.06 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1pa4 h ARG 19 Cb 1.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1pa4 h ARG 19 CO 0.13 0.04 -0.03 1.15 -1.51 0.00 0.00 179.97 179.75 1pa4 h THR 20 N 0.00 0.82 0.00 0.20 2.02 -1.24 -3.20 112.91 111.52 1pa4 h THR 20 Ca -0.00 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.75 1pa4 h THR 20 Cb 0.15 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1pa4 h THR 20 CO 0.01 0.26 0.00 0.52 0.37 0.00 0.00 175.52 176.67 1pa4 n VAL 21 N -4.79 0.67 0.06 3.16 0.31 -0.98 -0.32 118.33 116.44 1pa4 n VAL 21 Ca -0.06 0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1pa4 n VAL 21 Cb 0.24 -0.96 -0.09 0.00 -0.91 0.00 0.00 33.84 32.13 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 1.04 -0.72 2.52 1.08 -0.94 -3.00 117.51 117.49 1pa4 h ILE 22 Ca 0.00 -0.68 -0.30 0.00 -0.39 0.00 0.00 64.86 63.48 1pa4 h ILE 22 Cb 0.12 1.47 -0.38 0.00 -3.07 0.00 0.00 36.82 34.95 1pa4 h ILE 22 CO 0.00 0.16 -1.11 1.41 -0.69 0.00 0.00 178.15 177.92 1pa4 n HIS 23 N -5.01 0.95 0.00 1.37 8.25 -1.06 -4.60 115.22 115.12 1pa4 n HIS 23 Ca -0.09 -2.48 0.00 0.00 -0.26 0.00 0.00 57.72 54.89 1pa4 n HIS 23 Cb 0.21 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.33 0.00 -0.06 -0.41 0.00 0.56 -4.87 120.64 115.53 1pa4 n GLU 24 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.29 1pa4 n GLU 24 Cb 0.82 -0.27 0.09 0.00 0.00 0.00 0.00 31.44 32.08 1pa4 n GLU 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1pa4 n ILE 25 N -1.57 0.32 -0.29 6.31 2.08 -1.13 -4.68 119.36 120.39 1pa4 n ILE 25 Ca 0.00 -0.66 0.01 0.00 0.56 0.00 0.00 62.75 62.66 1pa4 n ILE 25 Cb 0.00 1.02 0.05 0.00 -0.75 0.00 0.00 39.64 39.97 1pa4 n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pa4 n TYR 26 N 0.70 0.09 -3.16 1.39 4.19 -1.13 -1.67 117.16 117.57 1pa4 n TYR 26 Ca 0.09 0.95 -0.45 0.00 3.31 0.00 0.00 57.90 61.80 1pa4 n TYR 26 Cb 0.36 -0.83 -0.00 0.00 0.49 0.00 0.00 39.34 39.36 1pa4 n TYR 26 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1pa4 s ASN 27 N -5.26 7.18 0.00 2.98 3.84 -1.26 -4.69 114.94 117.73 1pa4 s ASN 27 Ca -0.11 -3.27 0.00 0.00 0.21 0.00 0.00 52.86 49.69 1pa4 s ASN 27 Cb 0.17 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.57 1pa4 s ASN 27 CO 0.56 -0.51 0.00 -0.62 -2.79 0.00 0.00 177.10 173.74 1pa4 n GLU 28 N 4.11 0.00 0.02 0.43 1.02 -0.67 -5.10 120.64 120.45 1pa4 n GLU 28 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1pa4 n GLU 28 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1pa4 n GLU 28 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1pa4 n THR 29 N 0.00 0.00 -0.51 2.62 5.66 -1.26 -4.93 114.28 115.86 1pa4 n THR 29 Ca 0.00 0.00 0.44 0.00 -3.05 0.00 0.00 64.05 61.44 1pa4 n THR 29 Cb 0.00 0.00 0.69 0.00 -1.55 0.00 0.00 70.33 69.47 1pa4 n THR 29 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1pa4 h VAL 30 N 0.00 0.03 -0.28 1.08 -1.51 -1.85 1.71 116.25 115.44 1pa4 h VAL 30 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.55 1pa4 h VAL 30 Cb 0.00 0.04 -0.01 0.00 -2.13 0.00 0.00 31.29 29.19 1pa4 h VAL 30 CO 0.00 0.00 0.62 0.50 -1.23 0.00 0.00 177.57 177.46 1pa4 h LYS 31 N 0.00 0.00 0.00 5.19 3.64 -1.91 1.79 116.57 125.28 1pa4 h LYS 31 Ca 0.76 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.87 1pa4 h LYS 31 Cb 3.38 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 35.15 1pa4 h LYS 31 CO -0.01 0.00 -1.70 -2.37 -2.27 0.00 0.00 179.45 173.11 1pa4 n THR 32 N -3.11 1.52 0.00 1.00 5.66 0.58 -4.59 114.28 115.35 1pa4 n THR 32 Ca 0.05 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 1pa4 n THR 32 Cb 0.74 -0.96 0.00 0.00 -1.55 0.00 0.00 70.33 68.56 1pa4 n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pa4 n GLY 33 N 1.54 -1.66 2.13 1.09 0.00 0.61 -4.05 105.19 104.84 1pa4 n GLY 33 Ca -0.16 0.36 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1pa4 n GLY 33 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pa4 n HIS 34 N -0.49 -3.07 -2.33 1.61 8.25 -1.25 -1.13 115.22 116.81 1pa4 n HIS 34 Ca 0.00 1.80 -0.36 0.00 -0.26 0.00 0.00 57.72 58.90 1pa4 n HIS 34 Cb 0.00 -3.16 -0.01 0.00 1.12 0.00 0.00 29.99 27.94 1pa4 n HIS 34 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pa4 s VAL 35 N -0.43 3.28 -0.16 1.59 1.01 -1.26 -1.71 120.40 122.72 1pa4 s VAL 35 Ca -0.14 0.90 0.15 0.00 0.00 0.00 0.00 61.98 62.89 1pa4 s VAL 35 Cb 0.01 -3.42 -0.21 0.00 0.00 0.00 0.00 36.38 32.76 1pa4 s VAL 35 CO 0.37 -0.08 0.07 0.35 0.00 0.00 0.00 175.10 175.81 1pa4 n THR 36 N -0.72 1.13 -2.74 3.92 -2.24 -1.26 -4.85 114.28 107.52 1pa4 n THR 36 Ca 0.08 -0.71 -0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1pa4 n THR 36 Cb 0.50 -0.53 0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1pa4 n THR 36 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1pa4 n HIS 37 N -2.61 -3.20 -2.37 4.78 -0.00 -1.26 -5.13 115.22 105.43 1pa4 n HIS 37 Ca -0.27 -1.28 -0.42 0.00 0.46 0.00 0.00 57.72 56.21 1pa4 n HIS 37 Cb 1.04 1.43 -0.03 0.00 -0.12 0.00 0.00 29.99 32.30 1pa4 n HIS 37 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1pa4 s VAL 38 N 0.84 3.93 -0.75 3.57 0.11 -1.26 -4.62 120.40 122.22 1pa4 s VAL 38 Ca 0.29 1.36 -0.18 0.00 -2.93 0.00 0.00 61.98 60.52 1pa4 s VAL 38 Cb 0.06 -3.88 0.13 0.00 -1.53 0.00 0.00 36.38 31.16 1pa4 s VAL 38 CO -0.09 0.08 0.89 -0.75 -3.33 0.00 0.00 175.10 171.90 1pa4 s LYS 39 N 1.42 3.34 -0.09 1.54 2.47 -0.08 -4.88 119.74 123.46 1pa4 s LYS 39 Ca 0.60 -1.61 -0.01 0.00 -1.56 0.00 0.00 55.97 53.38 1pa4 s LYS 39 Cb -0.30 -4.51 -0.03 0.00 -1.46 0.00 0.00 37.83 31.53 1pa4 s LYS 39 CO 0.28 -1.61 -0.04 -1.17 0.16 0.00 0.00 175.35 172.97 1pa4 s LEU 40 N 2.40 3.29 0.33 5.43 1.98 -1.26 -0.59 118.68 130.25 1pa4 s LEU 40 Ca 0.21 -0.01 -0.18 0.00 -2.89 0.00 0.00 54.13 51.27 1pa4 s LEU 40 Cb -0.14 -1.74 0.06 0.00 0.66 0.00 0.00 46.19 45.03 1pa4 s LEU 40 CO -0.01 0.32 0.87 -0.94 -1.89 0.00 0.00 176.35 174.70 1pa4 s SER 41 N -0.55 0.01 -0.66 3.68 1.04 -0.98 -4.92 113.70 111.31 1pa4 s SER 41 Ca 0.09 -1.01 -0.02 0.00 0.48 0.00 0.00 55.95 55.48 1pa4 s SER 41 Cb -0.12 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.72 1pa4 s SER 41 CO 0.02 -1.49 0.60 -0.67 0.98 0.00 0.00 173.24 172.68 1pa4 n ASP 42 N -1.37 -5.79 -3.91 7.02 -0.08 -1.26 -2.20 116.55 108.96 1pa4 n ASP 42 Ca -0.07 -0.30 -0.33 0.00 -1.51 0.00 0.00 54.79 52.58 1pa4 n ASP 42 Cb 0.60 -4.04 0.01 0.00 2.34 0.00 0.00 41.12 40.02 1pa4 n ASP 42 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1pa4 n ASP 43 N -2.20 -2.99 -4.11 1.67 8.00 -1.26 -0.93 116.55 114.73 1pa4 n ASP 43 Ca -0.03 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.95 1pa4 n ASP 43 Cb 0.55 -2.74 -0.00 0.00 -0.02 0.00 0.00 41.12 38.91 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pa4 n LEU 44 N -4.49 -0.25 -0.08 0.64 -0.00 -1.23 -4.84 117.00 106.76 1pa4 n LEU 44 Ca -0.18 -1.24 -0.14 0.00 -0.00 0.00 0.00 56.01 54.45 1pa4 n LEU 44 Cb 0.62 -1.49 -0.06 0.00 -0.00 0.00 0.00 43.42 42.48 1pa4 n LEU 44 CO 0.73 0.72 -1.03 0.18 -0.00 0.00 0.00 177.39 178.00 1pa4 n LEU 45 N -4.79 2.13 -4.23 1.47 4.77 -0.10 -4.52 117.00 111.73 1pa4 n LEU 45 Ca -0.14 0.05 -0.36 0.00 -0.03 0.00 0.00 56.01 55.53 1pa4 n LEU 45 Cb 0.55 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 1pa4 n LEU 45 CO 0.73 0.56 -0.33 -1.00 -1.33 0.00 0.00 177.39 176.02 1pa4 s HIS 46 N -2.30 3.20 -0.53 -1.77 3.76 -1.05 -2.14 115.29 114.46 1pa4 s HIS 46 Ca -0.21 -1.55 -0.09 0.00 -0.15 0.00 0.00 55.06 53.05 1pa4 s HIS 46 Cb 0.07 -2.16 0.14 0.00 1.11 0.00 0.00 32.58 31.73 1pa4 s HIS 46 CO 0.32 -0.73 0.40 0.08 -0.85 0.00 0.00 174.74 173.96 1pa4 s VAL 47 N 1.34 4.30 -1.05 -0.90 1.01 -1.26 -2.33 120.40 121.51 1pa4 s VAL 47 Ca -0.02 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 59.74 1pa4 s VAL 47 Cb -0.19 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.45 1pa4 s VAL 47 CO -0.00 -0.82 1.46 -0.89 0.00 0.00 0.00 175.10 174.85 1pa4 s THR 48 N 1.06 4.02 0.05 3.92 2.01 0.24 -0.96 115.64 125.98 1pa4 s THR 48 Ca 0.08 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1pa4 s THR 48 Cb -0.24 -5.05 -0.05 0.00 0.01 0.00 0.00 72.50 67.17 1pa4 s THR 48 CO -0.02 -1.91 1.03 0.68 -0.69 0.00 0.00 174.62 173.71 1pa4 s VAL 49 N 4.67 4.52 -0.06 3.82 -7.23 0.41 -0.90 120.40 125.64 1pa4 s VAL 49 Ca 0.46 1.89 0.13 0.00 -1.81 0.00 0.00 61.98 62.66 1pa4 s VAL 49 Cb 0.00 -4.21 -0.15 0.00 0.56 0.00 0.00 36.38 32.58 1pa4 s VAL 49 CO -0.08 0.19 0.96 1.88 -0.31 0.00 0.00 175.10 177.74 1pa4 h TYR 50 N 6.39 0.00 -4.66 2.82 -1.99 -1.88 -0.63 116.97 117.02 1pa4 h TYR 50 Ca -0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1pa4 h TYR 50 Cb 1.22 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.94 1pa4 h TYR 50 CO 0.67 0.77 -0.87 1.28 -0.00 0.00 0.00 178.16 180.00 1pa4 n LEU 51 N -3.07 -5.74 -3.52 3.88 4.77 -1.26 -3.59 117.00 108.47 1pa4 n LEU 51 Ca -0.08 2.60 -0.27 0.00 -0.03 0.00 0.00 56.01 58.23 1pa4 n LEU 51 Cb 0.90 -3.03 -0.10 0.00 -2.33 0.00 0.00 43.42 38.87 1pa4 n LEU 51 CO 0.44 -2.80 -0.17 -0.67 -1.33 0.00 0.00 177.39 172.86 1pa4 n ASP 52 N 1.88 1.36 0.00 -1.43 2.03 -0.69 -4.80 116.55 114.90 1pa4 n ASP 52 Ca -0.01 -2.85 0.00 0.00 0.52 0.00 0.00 54.79 52.45 1pa4 n ASP 52 Cb 0.02 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa4 n TYR 54 N 0.00 0.51 -2.41 0.00 4.02 -1.26 -4.55 117.16 113.46 1pa4 n TYR 54 Ca 0.00 -1.44 -0.02 0.00 -0.01 0.00 0.00 57.90 56.43 1pa4 n TYR 54 Cb 0.00 -0.97 0.01 0.00 -0.02 0.00 0.00 39.34 38.36 1pa4 n TYR 54 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1pa4 n ASN 55 N 1.43 -2.27 0.00 7.72 5.15 -1.26 -3.01 115.26 123.02 1pa4 n ASN 55 Ca 0.23 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 1pa4 n ASN 55 Cb 0.63 -1.01 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1pa4 n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pa4 n ARG 56 N -1.16 -1.18 0.04 1.20 5.12 -1.26 -4.78 116.66 114.64 1pa4 n ARG 56 Ca -0.01 0.29 0.13 0.00 -1.93 0.00 0.00 57.85 56.33 1pa4 n ARG 56 Cb 0.51 -4.41 0.46 0.00 -1.16 0.00 0.00 32.46 27.86 1pa4 n ARG 56 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1pa4 n GLU 57 N -0.42 0.12 0.00 5.56 1.02 -1.16 -3.50 120.64 122.27 1pa4 n GLU 57 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1pa4 n GLU 57 Cb 0.29 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1pa4 n GLU 57 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1pa4 n GLN 58 N -1.83 0.81 -0.03 3.49 -0.06 -1.26 -4.82 117.38 113.68 1pa4 n GLN 58 Ca 0.06 -0.73 -0.09 0.00 -2.00 0.00 0.00 57.00 54.24 1pa4 n GLN 58 Cb 0.38 -0.73 -0.02 0.00 -4.06 0.00 0.00 30.24 25.81 1pa4 n GLN 58 CO 0.00 0.00 0.00 0.97 -0.20 0.00 0.00 177.06 177.83 1pa4 h ILE 59 N 1.28 0.41 -1.17 1.69 6.09 -1.94 0.23 117.51 124.10 1pa4 h ILE 59 Ca 0.00 0.00 0.44 0.00 -1.37 0.00 0.00 64.86 63.93 1pa4 h ILE 59 Cb 0.61 0.41 -0.16 0.00 0.47 0.00 0.00 36.82 38.15 1pa4 h ILE 59 CO 0.00 0.00 0.70 -0.67 -3.07 0.00 0.00 178.15 175.11 1pa4 n ASP 60 N -5.37 0.28 0.02 2.19 -0.08 -1.26 0.17 116.55 112.50 1pa4 n ASP 60 Ca -0.02 1.53 -0.18 0.00 -1.51 0.00 0.00 54.79 54.61 1pa4 n ASP 60 Cb 0.29 -0.75 -0.14 0.00 2.34 0.00 0.00 41.12 42.86 1pa4 n ASP 60 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1pa4 h ARG 61 N 0.00 0.23 0.48 -0.67 2.47 -1.05 -2.36 114.38 113.48 1pa4 h ARG 61 Ca 0.86 -0.38 -0.02 0.00 -1.26 0.00 0.00 59.98 59.18 1pa4 h ARG 61 Cb 2.51 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 30.97 1pa4 h ARG 61 CO -0.63 1.17 -0.23 0.28 0.56 0.00 0.00 179.97 181.12 1pa4 h VAL 62 N -0.51 0.00 -0.80 2.04 2.07 0.39 0.25 116.25 119.69 1pa4 h VAL 62 Ca -0.10 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.56 1pa4 h VAL 62 Cb 1.46 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.11 1pa4 h VAL 62 CO 0.11 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.53 1pa4 h VAL 63 N -0.68 0.49 0.00 2.57 2.07 0.15 1.12 116.25 121.96 1pa4 h VAL 63 Ca -0.07 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1pa4 h VAL 63 Cb 0.49 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1pa4 h VAL 63 CO 0.11 0.06 -0.11 1.23 0.02 0.00 0.00 177.57 178.87 1pa4 h GLY 64 N 0.31 0.00 0.67 2.17 0.00 -1.27 -2.25 103.07 102.71 1pa4 h GLY 64 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.66 1pa4 h GLY 64 CO -0.53 0.00 -0.56 0.00 0.00 0.00 0.00 176.54 175.45 1pa4 h ALA 65 N 1.89 0.03 -0.14 3.60 0.00 0.47 -3.16 119.26 121.94 1pa4 h ALA 65 Ca -0.00 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1pa4 h ALA 65 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pa4 h ALA 65 CO 0.01 0.29 0.19 0.74 0.00 0.00 0.00 179.25 180.49 1pa4 h PHE 66 N -0.27 0.00 0.00 0.00 -1.00 0.04 -2.13 116.94 113.58 1pa4 h PHE 66 Ca -0.08 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1pa4 h PHE 66 Cb 1.32 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.87 1pa4 h PHE 66 CO 0.17 0.00 -0.03 0.09 -1.61 0.00 0.00 178.31 176.93 1pa4 n ASN 67 N -3.62 4.31 0.00 2.17 4.13 -0.89 -2.72 115.26 118.64 1pa4 n ASN 67 Ca 0.01 -2.16 0.00 0.00 1.68 0.00 0.00 54.58 54.10 1pa4 n ASN 67 Cb 0.30 -0.95 0.00 0.00 -1.54 0.00 0.00 39.78 37.59 1pa4 n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pa4 n GLN 68 N 1.75 0.00 0.17 3.52 10.64 -0.88 -4.93 117.38 127.64 1pa4 n GLN 68 Ca 0.05 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.35 1pa4 n GLN 68 Cb 0.46 0.00 0.41 0.00 -0.86 0.00 0.00 30.24 30.25 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 1.00 -0.48 2.61 0.00 -1.23 -3.31 119.26 117.85 1pa4 h ALA 69 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1pa4 h ALA 69 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.70 1pa4 h ALA 69 CO 0.00 0.00 -0.01 1.63 0.00 0.00 0.00 179.25 180.87 1pa4 n LYS 70 N -2.59 -0.04 -0.18 0.00 5.02 -1.10 0.80 118.16 120.07 1pa4 n LYS 70 Ca 0.04 0.72 -0.01 0.00 -2.02 0.00 0.00 58.31 57.04 1pa4 n LYS 70 Cb 0.39 -1.14 0.01 0.00 -0.02 0.00 0.00 35.03 34.27 1pa4 n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pa4 n GLY 71 N -1.25 -0.97 0.14 0.72 0.00 -1.25 0.20 105.19 102.78 1pa4 n GLY 71 Ca 0.11 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.40 1pa4 n GLY 71 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1pa4 h VAL 72 N 0.00 1.22 0.00 1.61 -1.51 0.06 -1.67 116.25 115.96 1pa4 h VAL 72 Ca 0.15 -2.64 -0.00 0.00 -1.23 0.00 0.00 66.70 62.97 1pa4 h VAL 72 Cb 0.26 3.00 -0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1pa4 h VAL 72 CO -0.45 0.81 -0.01 0.49 -1.23 0.00 0.00 177.57 177.18 1pa4 n PHE 73 N -3.74 0.00 0.00 5.19 3.72 0.53 -2.55 117.46 120.61 1pa4 n PHE 73 Ca -0.19 -1.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 1pa4 n PHE 73 Cb 1.07 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 1pa4 n PHE 73 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pa4 n SER 74 N 1.53 0.00 0.20 4.37 3.41 0.94 -4.03 113.62 120.04 1pa4 n SER 74 Ca 0.01 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.71 1pa4 n SER 74 Cb 0.51 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.72 1pa4 n SER 74 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pa4 h ARG 75 N 0.00 0.00 0.82 4.33 2.43 -1.27 -2.14 114.38 118.55 1pa4 h ARG 75 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1pa4 h ARG 75 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pa4 h ARG 75 CO 0.00 0.22 -0.49 0.28 -1.51 0.00 0.00 179.97 178.47 1pa4 h VAL 76 N 0.00 0.00 0.00 0.20 2.07 -1.72 -1.92 116.25 114.88 1pa4 h VAL 76 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1pa4 h VAL 76 Cb 0.99 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1pa4 h VAL 76 CO 0.03 0.00 -0.26 -0.07 0.02 0.00 0.00 177.57 177.29 1pa4 h LEU 77 N -1.23 0.00 -0.07 2.57 4.07 -1.85 -3.14 115.31 115.66 1pa4 h LEU 77 Ca -0.11 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.89 1pa4 h LEU 77 Cb 0.98 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.66 1pa4 h LEU 77 CO 0.12 0.26 -0.33 0.00 -1.08 0.00 0.00 178.44 177.40 1pa4 h ALA 78 N 1.74 -0.44 -0.14 1.53 0.00 -0.87 0.71 119.26 121.78 1pa4 h ALA 78 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1pa4 h ALA 78 Cb 0.77 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1pa4 h ALA 78 CO 0.03 -0.83 0.48 1.25 0.00 0.00 0.00 179.25 180.18 1pa4 h HIS 79 N -0.44 0.00 0.00 0.00 6.17 -1.31 1.39 115.15 120.95 1pa4 h HIS 79 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.16 1pa4 h HIS 79 Cb 0.56 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.49 1pa4 h HIS 79 CO -0.39 0.00 -0.19 -0.97 0.71 0.00 0.00 177.93 177.09 1pa4 h ASN 80 N 0.00 0.00 0.00 3.26 -0.73 0.12 -3.45 115.58 114.78 1pa4 h ASN 80 Ca 0.07 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.11 1pa4 h ASN 80 Cb 1.02 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.59 1pa4 h ASN 80 CO -0.00 0.57 -1.20 0.18 -0.37 0.00 0.00 177.43 176.60 1pa4 n LEU 81 N -4.57 1.41 0.00 0.34 7.99 0.80 -5.11 117.00 117.86 1pa4 n LEU 81 Ca -0.03 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1pa4 n LEU 81 Cb 0.10 -0.54 0.00 0.00 -0.11 0.00 0.00 43.42 42.87 1pa4 n LEU 81 CO 0.04 -0.10 0.00 0.00 -1.51 0.00 0.00 177.39 175.82 1pa4 n TYR 82 N -3.93 -0.11 -1.52 -1.77 4.19 0.46 -4.96 117.16 109.52 1pa4 n TYR 82 Ca -0.20 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.01 1pa4 n TYR 82 Cb 0.50 0.03 0.00 0.00 0.49 0.00 0.00 39.34 40.37 1pa4 n TYR 82 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1pa4 n LEU 83 N 0.00 -1.98 0.00 2.98 -0.00 -1.26 -4.62 117.00 112.12 1pa4 n LEU 83 Ca 0.00 2.87 0.00 0.00 -0.00 0.00 0.00 56.01 58.88 1pa4 n LEU 83 Cb 0.00 -2.89 0.00 0.00 -0.00 0.00 0.00 43.42 40.53 1pa4 n LEU 83 CO 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 177.39 177.38 1pa4 n ALA 84 N -1.51 0.00 -0.96 1.96 0.00 -1.26 -4.42 120.51 114.33 1pa4 n ALA 84 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pa4 n ALA 84 Cb 0.17 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 -1.08 -2.19 0.00 -0.00 -1.26 -4.79 118.16 108.84 1pa4 n LYS 85 Ca 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.31 58.21 1pa4 n LYS 85 Cb 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 35.03 34.90 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 -2.40 -2.80 -0.72 0.58 0.00 -1.26 -4.79 120.51 109.12 1pa4 n ALA 86 Ca -0.01 1.05 0.06 0.00 0.00 0.00 0.00 53.44 54.54 1pa4 n ALA 86 Cb 0.03 -2.28 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 1pa4 n ALA 86 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1pa4 n VAL 87 N 1.40 -0.73 0.00 0.00 0.24 -0.91 -4.50 118.33 113.83 1pa4 n VAL 87 Ca -0.14 0.53 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1pa4 n VAL 87 Cb 0.22 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 1pa4 n VAL 87 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1pa4 n GLN 88 N -2.84 0.00 -1.32 7.34 7.27 -1.25 -5.01 117.38 121.56 1pa4 n GLN 88 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1pa4 n GLN 88 Cb 0.31 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.96 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 -5.31 -4.19 1.69 5.41 -1.26 -4.34 119.36 111.36 1pa4 n ILE 89 Ca 0.00 1.90 -0.17 0.00 1.00 0.00 0.00 62.75 65.49 1pa4 n ILE 89 Cb 0.00 -3.00 -0.12 0.00 -0.71 0.00 0.00 39.64 35.80 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 -1.43 0.92 0.58 1.39 2.46 -0.14 -4.92 115.29 114.15 1pa4 s HIS 90 Ca 0.00 -0.39 -0.01 0.00 0.47 0.00 0.00 55.06 55.13 1pa4 s HIS 90 Cb 0.00 -0.55 0.03 0.00 -0.13 0.00 0.00 32.58 31.94 1pa4 s HIS 90 CO 0.00 -0.01 0.83 -0.59 -2.47 0.00 0.00 174.74 172.50 1pa4 s PHE 91 N -1.03 2.94 0.00 3.88 -0.12 -1.26 -0.44 117.98 121.95 1pa4 s PHE 91 Ca -0.03 0.16 0.00 0.00 -0.05 0.00 0.00 56.93 57.01 1pa4 s PHE 91 Cb -0.08 -2.81 0.00 0.00 -0.63 0.00 0.00 43.02 39.50 1pa4 s PHE 91 CO 0.01 -0.94 0.00 0.28 -0.05 0.00 0.00 175.22 174.52 1pa4 n VAL 92 N -2.46 0.00 0.00 -2.49 0.31 -0.24 -4.73 118.33 108.71 1pa4 n VAL 92 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1pa4 n VAL 92 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 1pa4 n VAL 92 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pa4 n LYS 93 N -1.35 0.00 0.00 5.55 5.02 -1.24 -3.62 118.16 122.52 1pa4 n LYS 93 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1pa4 n LYS 93 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1pa4 n LYS 93 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pa4 n ASP 94 N 1.95 0.00 -4.19 4.39 8.00 -1.26 -4.99 116.55 120.46 1pa4 n ASP 94 Ca 0.00 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.14 1pa4 n ASP 94 Cb 0.00 0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 1pa4 n ASP 94 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pa4 n LYS 95 N -1.92 -0.78 -0.01 -1.24 0.00 -1.24 -4.81 118.16 108.17 1pa4 n LYS 95 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 58.31 58.43 1pa4 n LYS 95 Cb 0.00 -4.01 -0.00 0.00 0.00 0.00 0.00 35.03 31.02 1pa4 n LYS 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pa4 h ALA 96 N 0.99 0.00 0.11 3.14 0.00 -1.95 -3.40 119.26 118.14 1pa4 h ALA 96 Ca -0.54 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.03 1pa4 h ALA 96 Cb 1.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pa4 h ALA 96 CO 0.77 0.01 -1.59 -0.84 0.00 0.00 0.00 179.25 177.59 1pa4 h ILE 97 N -0.17 1.07 -7.04 0.00 3.07 -1.96 -3.47 117.51 109.01 1pa4 h ILE 97 Ca 0.00 -2.74 -0.60 0.00 1.55 0.00 0.00 64.86 63.07 1pa4 h ILE 97 Cb 0.01 2.70 -0.30 0.00 -0.27 0.00 0.00 36.82 38.96 1pa4 h ILE 97 CO 0.00 0.80 -0.90 -0.67 -1.05 0.00 0.00 178.15 176.33 1pa4 n ASP 98 N -3.42 -1.72 0.00 2.16 2.03 -1.26 -4.69 116.55 109.64 1pa4 n ASP 98 Ca -0.18 -1.18 0.00 0.00 0.52 0.00 0.00 54.79 53.95 1pa4 n ASP 98 Cb 1.04 -1.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 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 -2.60 0.00 0.00 1.67 3.02 -1.26 -5.14 115.26 110.95 1pa4 n ASN 99 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1pa4 n ASN 99 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -2.31 0.22 0.00 5.41 0.00 -1.26 -5.24 120.51 117.32 1pa4 n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pa4 n ALA 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pa4 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50