#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 0.00 1.64 1.02 -1.26 -5.00 120.64 117.04 1pa4 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pa4 n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1pa4 n GLU 7 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1pa4 n ARG 8 N -2.01 0.00 0.04 3.49 3.00 -1.26 -2.51 116.66 117.40 1pa4 n ARG 8 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1pa4 n ARG 8 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 32.46 32.63 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 1pa4 h LEU 9 N 0.00 0.43 -0.55 6.15 -0.00 -2.01 -2.67 115.31 116.66 1pa4 h LEU 9 Ca 0.00 -0.18 0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1pa4 h LEU 9 Cb 0.00 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 40.43 1pa4 h LEU 9 CO 0.00 0.77 -0.31 -0.08 -0.00 0.00 0.00 178.44 178.81 1pa4 h GLU 10 N 0.35 -0.16 0.48 0.17 4.57 -1.99 0.50 114.58 118.50 1pa4 h GLU 10 Ca 0.04 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1pa4 h GLU 10 Cb 0.82 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1pa4 h GLU 10 CO 0.07 -0.11 -0.23 -0.97 -1.18 0.00 0.00 179.01 176.59 1pa4 h ASN 11 N -0.17 -0.55 -0.78 1.04 -1.24 -1.42 -2.12 115.58 110.35 1pa4 h ASN 11 Ca 0.22 -0.08 0.32 0.00 0.71 0.00 0.00 56.30 57.48 1pa4 h ASN 11 Cb 0.54 0.14 -0.14 0.00 0.73 0.00 0.00 38.32 39.59 1pa4 h ASN 11 CO -0.64 -0.19 0.43 -0.67 -1.29 0.00 0.00 177.43 175.07 1pa4 n ASP 12 N -5.26 0.26 0.13 1.15 2.03 -0.81 0.18 116.55 114.23 1pa4 n ASP 12 Ca -0.11 1.26 -0.11 0.00 0.52 0.00 0.00 54.79 56.36 1pa4 n ASP 12 Cb 0.31 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.03 1pa4 n ASP 12 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1pa4 h ILE 13 N 0.00 0.51 -0.40 5.18 2.04 -0.69 -0.48 117.51 123.67 1pa4 h ILE 13 Ca 0.65 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.75 1pa4 h ILE 13 Cb 1.75 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.57 1pa4 h ILE 13 CO -0.58 0.12 -0.36 0.40 0.00 0.00 0.00 178.15 177.74 1pa4 h ILE 14 N -0.95 0.19 0.00 -0.67 5.03 0.26 0.74 117.51 122.11 1pa4 h ILE 14 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.69 1pa4 h ILE 14 Cb 0.49 0.19 -0.00 0.00 -3.03 0.00 0.00 36.82 34.47 1pa4 h ILE 14 CO 0.06 0.00 -0.05 -0.09 -0.68 0.00 0.00 178.15 177.40 1pa4 h ARG 15 N -0.28 0.00 0.00 2.37 2.43 -0.03 -2.53 114.38 116.34 1pa4 h ARG 15 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1pa4 h ARG 15 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1pa4 h ARG 15 CO -0.55 0.05 0.00 -0.11 -1.51 0.00 0.00 179.97 177.85 1pa4 n LEU 16 N -4.04 0.00 -0.32 3.80 7.94 0.25 -0.12 117.00 124.52 1pa4 n LEU 16 Ca -0.03 0.86 0.35 0.00 -1.11 0.00 0.00 56.01 56.09 1pa4 n LEU 16 Cb 0.13 -0.36 0.73 0.00 0.53 0.00 0.00 43.42 44.45 1pa4 n LEU 16 CO 0.31 -0.36 1.33 0.40 -1.11 0.00 0.00 177.39 177.95 1pa4 h ILE 17 N 0.00 0.32 0.24 1.96 1.08 -1.28 0.55 117.51 120.38 1pa4 h ILE 17 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1pa4 h ILE 17 Cb 0.00 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1pa4 h ILE 17 CO 0.00 0.00 -0.11 0.78 -0.69 0.00 0.00 178.15 178.13 1pa4 h ASN 18 N 0.00 -0.27 -0.51 1.72 4.21 -0.96 -2.10 115.58 117.66 1pa4 h ASN 18 Ca 0.56 -0.17 0.15 0.00 1.21 0.00 0.00 56.30 58.05 1pa4 h ASN 18 Cb 2.39 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 39.64 1pa4 h ASN 18 CO -0.01 0.03 0.51 0.03 -1.29 0.00 0.00 177.43 176.70 1pa4 h ARG 19 N -0.58 0.00 0.00 0.81 -0.00 0.36 -1.63 114.38 113.34 1pa4 h ARG 19 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 1pa4 h ARG 19 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.40 1pa4 h ARG 19 CO 0.05 0.00 0.00 2.41 0.00 0.00 0.00 179.97 182.43 1pa4 n THR 20 N -3.80 0.00 -0.35 2.04 -1.04 -0.92 -2.39 114.28 107.82 1pa4 n THR 20 Ca 0.10 0.84 0.35 0.00 -2.04 0.00 0.00 64.05 63.31 1pa4 n THR 20 Cb 0.71 -1.82 0.57 0.00 -1.82 0.00 0.00 70.33 67.98 1pa4 n THR 20 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1pa4 h VAL 21 N 0.00 0.03 0.57 12.58 2.07 -0.99 2.34 116.25 132.85 1pa4 h VAL 21 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1pa4 h VAL 21 Cb 0.00 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1pa4 h VAL 21 CO 0.00 0.00 -0.27 0.40 0.02 0.00 0.00 177.57 177.72 1pa4 h ILE 22 N 0.00 0.00 -0.43 4.57 1.08 -1.30 -3.19 117.51 118.24 1pa4 h ILE 22 Ca 0.61 -0.40 -0.03 0.00 -0.39 0.00 0.00 64.86 64.65 1pa4 h ILE 22 Cb 3.07 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 1pa4 h ILE 22 CO -0.01 0.00 0.04 1.41 -0.69 0.00 0.00 178.15 178.90 1pa4 n HIS 23 N -5.15 1.55 -3.64 1.37 8.25 0.27 -4.91 115.22 112.96 1pa4 n HIS 23 Ca -0.09 -0.59 -0.06 0.00 -0.26 0.00 0.00 57.72 56.72 1pa4 n HIS 23 Cb 0.30 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 30.98 1pa4 n HIS 23 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1pa4 n GLU 24 N 0.36 0.41 -3.41 -0.41 4.71 0.72 -5.00 120.64 118.03 1pa4 n GLU 24 Ca 0.22 -1.23 -0.16 0.00 -0.01 0.00 0.00 57.16 55.97 1pa4 n GLU 24 Cb 0.96 1.30 0.03 0.00 -1.01 0.00 0.00 31.44 32.72 1pa4 n GLU 24 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1pa4 n ILE 25 N -0.27 -7.51 -1.70 -3.67 2.08 -1.26 -4.37 119.36 102.66 1pa4 n ILE 25 Ca -0.01 -0.61 -0.24 0.00 0.56 0.00 0.00 62.75 62.45 1pa4 n ILE 25 Cb 0.28 -5.38 -0.05 0.00 -0.75 0.00 0.00 39.64 33.74 1pa4 n ILE 25 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1pa4 s TYR 26 N -3.20 1.29 0.00 1.39 2.02 -1.26 -1.95 117.35 115.63 1pa4 s TYR 26 Ca 0.22 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.46 1pa4 s TYR 26 Cb -0.06 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 1pa4 s TYR 26 CO 0.81 -1.91 0.00 0.27 -1.57 0.00 0.00 175.55 173.15 1pa4 n ASN 27 N 16.63 0.00 -4.02 2.29 2.04 -1.26 -4.93 115.26 126.01 1pa4 n ASN 27 Ca 0.41 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 54.21 1pa4 n ASN 27 Cb 0.48 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.66 1pa4 n ASN 27 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1pa4 n GLU 28 N 0.00 -0.80 0.00 -3.83 0.28 -0.82 -4.81 120.64 110.66 1pa4 n GLU 28 Ca 0.00 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1pa4 n GLU 28 Cb 0.00 -3.72 0.00 0.00 1.43 0.00 0.00 31.44 29.15 1pa4 n GLU 28 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1pa4 n THR 29 N -3.54 0.00 -0.07 3.84 -1.04 -1.26 -4.14 114.28 108.08 1pa4 n THR 29 Ca 0.03 0.18 0.24 0.00 -2.04 0.00 0.00 64.05 62.47 1pa4 n THR 29 Cb 0.41 -0.73 0.58 0.00 -1.82 0.00 0.00 70.33 68.77 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 0.16 0.00 12.58 -1.51 -1.83 1.45 116.25 127.10 1pa4 h VAL 30 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1pa4 h VAL 30 Cb 0.00 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 29.46 1pa4 h VAL 30 CO 0.00 0.00 0.24 0.50 -1.23 0.00 0.00 177.57 177.08 1pa4 h LYS 31 N 0.00 0.00 -0.04 5.19 3.11 -1.94 0.29 116.57 123.18 1pa4 h LYS 31 Ca 0.35 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 58.00 1pa4 h LYS 31 Cb 2.07 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 33.31 1pa4 h LYS 31 CO -0.00 0.00 -0.73 0.00 -2.81 0.00 0.00 179.45 175.91 1pa4 h THR 32 N 0.00 1.35 0.00 1.00 1.03 0.18 -3.38 112.91 113.09 1pa4 h THR 32 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 66.41 64.34 1pa4 h THR 32 Cb 0.47 2.38 0.00 0.00 -1.07 0.00 0.00 68.15 69.94 1pa4 h THR 32 CO 0.00 0.62 0.00 0.61 -0.01 0.00 0.00 175.52 176.74 1pa4 n GLY 33 N 0.96 -2.44 1.47 2.99 0.00 0.10 -3.44 105.19 104.83 1pa4 n GLY 33 Ca -0.10 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.34 0.00 0.00 1.61 -0.00 -1.23 -4.17 115.22 111.10 1pa4 n HIS 34 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pa4 n HIS 34 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -2.24 0.00 -1.06 3.57 0.31 0.40 -4.54 118.33 114.77 1pa4 n VAL 35 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1pa4 n VAL 35 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1pa4 n VAL 35 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1pa4 n THR 36 N 0.00 0.00 0.00 2.52 -2.24 -1.22 -3.55 114.28 109.78 1pa4 n THR 36 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pa4 n THR 36 Cb 0.00 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.42 0.00 -1.51 4.78 -0.00 -1.26 -5.06 115.22 109.75 1pa4 n HIS 37 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1pa4 n HIS 37 Cb 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 1pa4 n HIS 37 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1pa4 n VAL 38 N -0.91 -7.86 -3.86 3.57 3.14 -1.26 -4.94 118.33 106.21 1pa4 n VAL 38 Ca 0.00 2.25 -0.34 0.00 -2.96 0.00 0.00 64.34 63.29 1pa4 n VAL 38 Cb 0.00 -3.81 -0.13 0.00 -1.06 0.00 0.00 33.84 28.85 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 -1.88 1.89 -0.58 1.45 2.47 0.88 -4.97 119.74 119.00 1pa4 s LYS 39 Ca 0.00 -1.98 -0.26 0.00 -1.56 0.00 0.00 55.97 52.17 1pa4 s LYS 39 Cb 0.00 -3.46 -0.07 0.00 -1.46 0.00 0.00 37.83 32.85 1pa4 s LYS 39 CO 0.00 -1.04 2.27 -1.17 0.16 0.00 0.00 175.35 175.57 1pa4 s LEU 40 N 0.81 3.29 -0.15 5.43 1.98 -1.26 -2.40 118.68 126.38 1pa4 s LEU 40 Ca 0.11 0.68 -0.23 0.00 -2.89 0.00 0.00 54.13 51.80 1pa4 s LEU 40 Cb -0.22 -2.52 -0.03 0.00 0.66 0.00 0.00 46.19 44.09 1pa4 s LEU 40 CO -0.05 -2.93 0.70 -0.55 -1.89 0.00 0.00 176.35 171.64 1pa4 s SER 41 N 10.96 6.84 0.00 3.68 0.15 -0.82 -4.69 113.70 129.83 1pa4 s SER 41 Ca 0.89 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1pa4 s SER 41 Cb -0.15 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1pa4 s SER 41 CO 0.21 -0.26 0.00 0.47 1.20 0.00 0.00 173.24 174.86 1pa4 n ASP 42 N 4.73 0.00 -2.70 5.45 9.92 -1.26 -2.79 116.55 129.90 1pa4 n ASP 42 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.20 1pa4 n ASP 42 Cb 0.50 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.07 1pa4 n ASP 42 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1pa4 n ASP 43 N 3.62 -1.88 0.00 -2.24 9.92 -1.26 -4.91 116.55 119.79 1pa4 n ASP 43 Ca 0.00 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 1pa4 n ASP 43 Cb 0.00 1.55 0.00 0.00 -0.64 0.00 0.00 41.12 42.03 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1pa4 n LEU 44 N 0.58 0.00 -0.31 0.64 4.77 -1.12 -4.87 117.00 116.69 1pa4 n LEU 44 Ca 0.01 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.98 1pa4 n LEU 44 Cb 0.72 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.91 1pa4 n LEU 44 CO -0.03 0.00 1.21 0.25 -1.33 0.00 0.00 177.39 177.49 1pa4 h LEU 45 N 0.00 0.90 -6.52 2.23 6.46 -1.65 -3.33 115.31 113.40 1pa4 h LEU 45 Ca 0.00 -0.01 -0.51 0.00 -0.12 0.00 0.00 57.88 57.25 1pa4 h LEU 45 Cb 0.00 -0.20 -0.36 0.00 -0.73 0.00 0.00 40.66 39.36 1pa4 h LEU 45 CO 0.00 0.62 -0.79 -1.00 -0.62 0.00 0.00 178.44 176.65 1pa4 s HIS 46 N -6.10 0.34 -0.84 1.25 3.76 -1.14 -1.91 115.29 110.66 1pa4 s HIS 46 Ca -0.13 -1.28 -0.22 0.00 -0.15 0.00 0.00 55.06 53.28 1pa4 s HIS 46 Cb 0.17 -0.74 0.08 0.00 1.11 0.00 0.00 32.58 33.20 1pa4 s HIS 46 CO 0.79 -0.87 1.17 0.08 -0.85 0.00 0.00 174.74 175.06 1pa4 s VAL 47 N 1.29 4.26 -0.76 -0.90 1.01 -1.16 -1.94 120.40 122.21 1pa4 s VAL 47 Ca 0.17 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1pa4 s VAL 47 Cb -0.20 -4.84 0.03 0.00 0.00 0.00 0.00 36.38 31.37 1pa4 s VAL 47 CO -0.04 -1.65 1.34 -0.89 0.00 0.00 0.00 175.10 173.86 1pa4 s THR 48 N 4.10 3.71 -0.10 3.92 2.01 -1.01 -0.31 115.64 127.97 1pa4 s THR 48 Ca 0.33 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.38 1pa4 s THR 48 Cb -0.08 -4.86 -0.03 0.00 0.01 0.00 0.00 72.50 67.54 1pa4 s THR 48 CO 0.00 -1.80 0.72 0.68 -0.69 0.00 0.00 174.62 173.53 1pa4 s VAL 49 N 5.92 5.01 -1.73 3.82 -7.23 0.80 -0.08 120.40 126.91 1pa4 s VAL 49 Ca 0.38 1.46 0.07 0.00 -1.81 0.00 0.00 61.98 62.08 1pa4 s VAL 49 Cb -0.08 -4.05 0.24 0.00 0.56 0.00 0.00 36.38 33.06 1pa4 s VAL 49 CO 0.13 0.20 1.14 -1.22 -0.31 0.00 0.00 175.10 175.04 1pa4 n TYR 50 N 4.16 0.43 0.00 2.82 4.02 -1.26 0.04 117.16 127.36 1pa4 n TYR 50 Ca -0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1pa4 n TYR 50 Cb 0.51 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.25 0.00 -1.71 7.72 4.77 -1.23 -4.53 117.00 122.28 1pa4 n LEU 51 Ca 0.09 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1pa4 n LEU 51 Cb 0.30 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1pa4 n LEU 51 CO 0.07 0.00 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.35 1pa4 n ASP 52 N 3.47 -2.18 -4.53 -1.43 -0.08 -1.26 0.15 116.55 110.69 1pa4 n ASP 52 Ca 0.00 0.25 -0.28 0.00 -1.51 0.00 0.00 54.79 53.25 1pa4 n ASP 52 Cb 0.00 -1.78 0.13 0.00 2.34 0.00 0.00 41.12 41.81 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa4 n TYR 54 N -3.40 0.45 0.00 0.00 0.18 -1.22 -4.70 117.16 108.46 1pa4 n TYR 54 Ca 0.12 -0.60 0.00 0.00 1.88 0.00 0.00 57.90 59.30 1pa4 n TYR 54 Cb 0.60 -0.32 0.00 0.00 -0.38 0.00 0.00 39.34 39.24 1pa4 n TYR 54 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1pa4 n ASN 55 N 0.22 0.00 0.00 9.48 4.13 -1.26 -5.07 115.26 122.76 1pa4 n ASN 55 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1pa4 n ASN 55 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1pa4 n ASN 55 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1pa4 n ARG 56 N 0.00 0.00 -0.06 3.52 3.00 -1.26 -4.94 116.66 116.92 1pa4 n ARG 56 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 1pa4 n ARG 56 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.49 1pa4 n ARG 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1pa4 n GLU 57 N 0.00 1.27 -0.01 -0.14 0.28 -1.26 -3.26 120.64 117.52 1pa4 n GLU 57 Ca 0.00 -0.25 -0.01 0.00 -0.16 0.00 0.00 57.16 56.74 1pa4 n GLU 57 Cb 0.00 -1.40 -0.01 0.00 1.43 0.00 0.00 31.44 31.47 1pa4 n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pa4 n GLN 58 N -0.07 0.40 -0.21 3.44 0.00 -1.26 -4.71 117.38 114.97 1pa4 n GLN 58 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 57.00 57.08 1pa4 n GLN 58 Cb 0.24 -1.03 0.11 0.00 0.00 0.00 0.00 30.24 29.56 1pa4 n GLN 58 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 1pa4 n ILE 59 N -2.50 -0.25 -0.33 -0.39 0.13 -1.20 0.38 119.36 115.20 1pa4 n ILE 59 Ca -0.03 1.33 0.15 0.00 -1.10 0.00 0.00 62.75 63.10 1pa4 n ILE 59 Cb 0.53 -1.88 0.30 0.00 -0.84 0.00 0.00 39.64 37.75 1pa4 n ILE 59 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 1pa4 h ASP 60 N 0.00 -0.35 0.97 9.51 5.19 -1.84 2.17 116.42 132.06 1pa4 h ASP 60 Ca 0.31 0.26 -0.19 0.00 -0.62 0.00 0.00 57.03 56.79 1pa4 h ASP 60 Cb 0.53 0.43 -0.03 0.00 0.18 0.00 0.00 39.33 40.45 1pa4 h ASP 60 CO -0.59 -0.32 -0.89 0.08 -3.12 0.00 0.00 179.24 174.40 1pa4 h ARG 61 N 0.04 0.00 0.34 3.56 0.11 0.66 -1.95 114.38 117.15 1pa4 h ARG 61 Ca 0.59 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.66 1pa4 h ARG 61 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1pa4 h ARG 61 CO -0.86 0.89 -0.16 0.28 0.10 0.00 0.00 179.97 180.22 1pa4 h VAL 62 N 0.00 0.00 -0.99 0.08 2.07 0.41 0.25 116.25 118.07 1pa4 h VAL 62 Ca -0.01 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.30 1pa4 h VAL 62 Cb 1.61 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.30 1pa4 h VAL 62 CO 0.12 0.00 0.61 0.58 0.02 0.00 0.00 177.57 178.90 1pa4 h VAL 63 N -0.79 0.90 -0.13 2.57 2.07 0.23 0.89 116.25 121.99 1pa4 h VAL 63 Ca -0.05 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1pa4 h VAL 63 Cb 0.35 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1pa4 h VAL 63 CO 0.08 0.17 -0.31 1.23 0.02 0.00 0.00 177.57 178.76 1pa4 h GLY 64 N 0.96 0.26 0.79 2.17 0.00 -1.38 -2.42 103.07 103.44 1pa4 h GLY 64 Ca 0.49 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.43 1pa4 h GLY 64 CO -0.27 0.20 -0.71 0.00 0.00 0.00 0.00 176.54 175.75 1pa4 h ALA 65 N 1.46 0.02 -0.27 3.60 0.00 0.26 -3.13 119.26 121.20 1pa4 h ALA 65 Ca 0.03 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.40 1pa4 h ALA 65 Cb 0.67 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1pa4 h ALA 65 CO 0.05 0.38 0.25 0.74 0.00 0.00 0.00 179.25 180.67 1pa4 h PHE 66 N -0.15 0.00 -0.16 0.00 0.04 0.77 0.32 116.94 117.75 1pa4 h PHE 66 Ca -0.10 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.49 1pa4 h PHE 66 Cb 1.46 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.61 1pa4 h PHE 66 CO 0.16 0.00 -0.59 -0.91 -0.60 0.00 0.00 178.31 176.37 1pa4 h ASN 67 N 0.00 0.80 1.47 2.17 4.21 -1.42 -1.85 115.58 120.96 1pa4 h ASN 67 Ca 0.13 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1pa4 h ASN 67 Cb 0.63 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 1pa4 h ASN 67 CO -0.00 1.27 0.00 1.56 -1.29 0.00 0.00 177.43 178.97 1pa4 h GLN 68 N 0.38 0.00 0.00 0.81 4.20 -0.83 -3.36 115.11 116.30 1pa4 h GLN 68 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1pa4 h GLN 68 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1pa4 h GLN 68 CO 0.13 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1pa4 n ALA 69 N -1.96 -0.00 0.00 3.87 0.00 0.88 -4.70 120.51 118.60 1pa4 n ALA 69 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1pa4 n ALA 69 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1pa4 n ALA 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pa4 n LYS 70 N -0.82 0.00 -0.01 0.00 4.81 -0.71 -1.76 118.16 119.67 1pa4 n LYS 70 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pa4 n LYS 70 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1pa4 n LYS 70 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pa4 n GLY 71 N 0.00 -0.04 0.30 3.14 0.00 -1.26 0.27 105.19 107.60 1pa4 n GLY 71 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.48 1.61 -1.51 -1.69 0.36 116.25 114.54 1pa4 h VAL 72 Ca 0.01 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.57 1pa4 h VAL 72 Cb 0.01 0.00 -0.10 0.00 -2.13 0.00 0.00 31.29 29.07 1pa4 h VAL 72 CO -0.02 0.00 -0.25 -0.26 -1.23 0.00 0.00 177.57 175.81 1pa4 h PHE 73 N -0.66 -0.66 -0.55 5.19 0.04 0.37 0.48 116.94 121.15 1pa4 h PHE 73 Ca -0.05 0.06 0.10 0.00 2.80 0.00 0.00 57.97 60.88 1pa4 h PHE 73 Cb 0.55 0.36 -0.03 0.00 2.20 0.00 0.00 35.95 39.03 1pa4 h PHE 73 CO -0.10 -0.33 0.37 1.03 -0.60 0.00 0.00 178.31 178.69 1pa4 h SER 74 N -0.15 0.28 -0.65 2.17 0.87 -0.29 0.91 113.55 116.70 1pa4 h SER 74 Ca 0.22 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1pa4 h SER 74 Cb 0.49 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1pa4 h SER 74 CO -0.57 0.17 0.38 -0.09 -0.53 0.00 0.00 176.83 176.19 1pa4 h ARG 75 N 0.31 0.90 0.10 2.24 2.43 0.42 -0.54 114.38 120.24 1pa4 h ARG 75 Ca 0.25 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1pa4 h ARG 75 Cb 0.58 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1pa4 h ARG 75 CO -0.06 0.65 -0.11 0.28 -1.51 0.00 0.00 179.97 179.22 1pa4 h VAL 76 N 0.91 0.00 -0.27 0.20 2.07 -0.19 -0.70 116.25 118.28 1pa4 h VAL 76 Ca 0.24 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.83 1pa4 h VAL 76 Cb -0.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1pa4 h VAL 76 CO -0.04 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.80 1pa4 h LEU 77 N -0.21 0.00 -0.49 2.57 4.07 -1.53 0.14 115.31 119.86 1pa4 h LEU 77 Ca -0.01 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1pa4 h LEU 77 Cb 0.19 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 1pa4 h LEU 77 CO -0.02 0.00 0.30 0.00 -1.08 0.00 0.00 178.44 177.64 1pa4 h ALA 78 N 1.61 0.62 -1.03 1.53 0.00 0.34 0.13 119.26 122.47 1pa4 h ALA 78 Ca 0.13 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.32 1pa4 h ALA 78 Cb 0.77 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1pa4 h ALA 78 CO -0.00 -0.00 0.88 1.25 0.00 0.00 0.00 179.25 181.38 1pa4 h HIS 79 N 0.59 0.00 0.00 0.00 -0.00 0.34 -3.22 115.15 112.86 1pa4 h HIS 79 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1pa4 h HIS 79 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1pa4 h HIS 79 CO -0.06 0.00 0.00 0.09 -0.00 0.00 0.00 177.93 177.96 1pa4 n ASN 80 N -3.83 0.00 -1.63 3.26 3.02 -0.06 -5.08 115.26 110.95 1pa4 n ASN 80 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1pa4 n ASN 80 Cb 1.22 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 1pa4 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pa4 n LEU 81 N -0.70 0.00 -3.73 3.41 4.77 0.27 -5.12 117.00 115.90 1pa4 n LEU 81 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1pa4 n LEU 81 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1pa4 n LEU 81 CO 0.00 -0.32 0.68 -0.47 -1.33 0.00 0.00 177.39 175.95 1pa4 s TYR 82 N 0.71 -0.17 0.00 -1.77 6.14 -1.26 -3.80 117.35 117.20 1pa4 s TYR 82 Ca 0.00 -0.13 0.00 0.00 0.64 0.00 0.00 57.07 57.58 1pa4 s TYR 82 Cb 0.00 0.63 0.00 0.00 0.42 0.00 0.00 41.96 43.01 1pa4 s TYR 82 CO 0.00 -0.84 0.00 -0.11 0.64 0.00 0.00 175.55 175.24 1pa4 n LEU 83 N -0.44 -0.70 -0.01 6.97 0.00 -1.26 -4.53 117.00 117.02 1pa4 n LEU 83 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 55.94 1pa4 n LEU 83 Cb 0.61 0.54 -0.01 0.00 0.00 0.00 0.00 43.42 44.56 1pa4 n LEU 83 CO 0.13 0.00 0.50 0.00 0.00 0.00 0.00 177.39 178.02 1pa4 h ALA 84 N 0.00 -0.33 0.00 1.96 0.00 -2.02 -2.48 119.26 116.39 1pa4 h ALA 84 Ca 0.00 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1pa4 h ALA 84 Cb 0.00 0.73 0.04 0.00 0.00 0.00 0.00 17.79 18.56 1pa4 h ALA 84 CO 0.00 -0.35 2.40 0.36 0.00 0.00 0.00 179.25 181.66 1pa4 n LYS 85 N -2.90 1.67 0.00 0.00 2.85 -1.26 -2.48 118.16 116.05 1pa4 n LYS 85 Ca -0.00 -1.83 0.00 0.00 -1.05 0.00 0.00 58.31 55.43 1pa4 n LYS 85 Cb 0.03 -2.87 0.00 0.00 -0.65 0.00 0.00 35.03 31.54 1pa4 n LYS 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pa4 n ALA 86 N 6.88 0.00 -3.55 0.58 0.00 -0.96 -5.09 120.51 118.38 1pa4 n ALA 86 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 1pa4 n ALA 86 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.61 -0.00 -0.30 0.00 -7.23 -1.03 -3.93 120.40 106.29 1pa4 s VAL 87 Ca 0.00 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.99 1pa4 s VAL 87 Cb 0.00 -0.88 0.20 0.00 0.56 0.00 0.00 36.38 36.26 1pa4 s VAL 87 CO 0.00 0.00 1.27 -1.58 -0.31 0.00 0.00 175.10 174.48 1pa4 s GLN 88 N 0.45 0.05 -0.04 4.82 0.74 -0.80 -4.59 119.66 120.29 1pa4 s GLN 88 Ca -0.01 0.12 -0.30 0.00 0.05 0.00 0.00 55.36 55.22 1pa4 s GLN 88 Cb -0.05 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1pa4 s GLN 88 CO -0.01 -0.02 1.23 0.42 -0.55 0.00 0.00 175.29 176.36 1pa4 s ILE 89 N 1.82 4.16 -0.14 -2.34 1.01 -1.26 -2.98 121.20 121.47 1pa4 s ILE 89 Ca -0.02 1.50 -0.07 0.00 0.00 0.00 0.00 60.65 62.06 1pa4 s ILE 89 Cb -0.01 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1pa4 s ILE 89 CO -0.15 0.01 0.12 -2.28 0.00 0.00 0.00 174.94 172.64 1pa4 s HIS 90 N 2.14 3.48 -0.06 3.97 5.65 0.58 -4.91 115.29 126.15 1pa4 s HIS 90 Ca 0.57 0.41 -0.14 0.00 0.25 0.00 0.00 55.06 56.15 1pa4 s HIS 90 Cb -0.26 -1.99 -0.05 0.00 -1.18 0.00 0.00 32.58 29.10 1pa4 s HIS 90 CO 0.23 0.56 0.37 -0.59 -0.65 0.00 0.00 174.74 174.66 1pa4 s PHE 91 N -0.56 3.63 0.15 3.88 -0.12 -1.26 -0.14 117.98 123.56 1pa4 s PHE 91 Ca 0.12 0.85 0.00 0.00 -0.05 0.00 0.00 56.93 57.86 1pa4 s PHE 91 Cb -0.12 -2.30 -0.04 0.00 -0.63 0.00 0.00 43.02 39.93 1pa4 s PHE 91 CO 0.02 0.51 0.03 0.08 -0.05 0.00 0.00 175.22 175.81 1pa4 s VAL 92 N -0.53 0.38 0.00 -2.49 1.01 0.11 -4.87 120.40 114.00 1pa4 s VAL 92 Ca 0.22 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.26 1pa4 s VAL 92 Cb -0.15 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1pa4 s VAL 92 CO 0.10 -0.47 0.00 2.29 0.00 0.00 0.00 175.10 177.02 1pa4 n LYS 93 N -0.16 0.00 -2.68 2.72 2.85 -1.26 -3.79 118.16 115.84 1pa4 n LYS 93 Ca -0.06 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.16 1pa4 n LYS 93 Cb 0.63 -0.12 0.11 0.00 -0.65 0.00 0.00 35.03 35.00 1pa4 n LYS 93 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1pa4 n ASP 94 N -1.92 -1.47 -1.97 -5.58 5.75 -1.26 -4.92 116.55 105.17 1pa4 n ASP 94 Ca 0.00 -2.23 -0.12 0.00 -0.01 0.00 0.00 54.79 52.43 1pa4 n ASP 94 Cb 0.00 1.28 -0.12 0.00 -1.03 0.00 0.00 41.12 41.26 1pa4 n ASP 94 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1pa4 n LYS 95 N 0.55 1.87 0.14 0.11 3.00 -1.26 -3.98 118.16 118.59 1pa4 n LYS 95 Ca -0.03 -1.03 0.03 0.00 -0.00 0.00 0.00 58.31 57.29 1pa4 n LYS 95 Cb 0.74 -1.83 0.03 0.00 0.00 0.00 0.00 35.03 33.98 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 2.58 0.70 0.00 3.14 0.00 -2.01 -3.36 119.26 120.30 1pa4 h ALA 96 Ca 0.19 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1pa4 h ALA 96 Cb 1.29 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1pa4 h ALA 96 CO 0.30 0.58 -0.39 0.44 0.00 0.00 0.00 179.25 180.18 1pa4 n ILE 97 N -3.20 0.00 -1.14 0.00 -5.35 -1.26 -4.95 119.36 103.46 1pa4 n ILE 97 Ca 0.02 -0.16 -0.05 0.00 -0.27 0.00 0.00 62.75 62.29 1pa4 n ILE 97 Cb 0.72 0.41 -0.02 0.00 -1.74 0.00 0.00 39.64 39.01 1pa4 n ILE 97 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1pa4 n ASP 98 N 0.08 -4.15 -3.41 7.28 -0.08 -1.26 -3.77 116.55 111.23 1pa4 n ASP 98 Ca -0.03 0.12 -0.23 0.00 -1.51 0.00 0.00 54.79 53.14 1pa4 n ASP 98 Cb 0.71 -2.09 0.02 0.00 2.34 0.00 0.00 41.12 42.09 1pa4 n ASP 98 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1pa4 n ASN 99 N 0.13 -6.10 -0.12 1.67 5.15 -1.26 -4.94 115.26 109.80 1pa4 n ASN 99 Ca -0.05 -0.29 -0.24 0.00 -0.60 0.00 0.00 54.58 53.41 1pa4 n ASN 99 Cb 0.26 -2.92 -0.08 0.00 -0.53 0.00 0.00 39.78 36.51 1pa4 n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pa4 n ALA 100 N -1.26 1.39 0.00 5.20 0.00 -1.25 -5.15 120.51 119.44 1pa4 n ALA 100 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1pa4 n ALA 100 Cb 0.62 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1pa4 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50