#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h64 s ARG 4 N 0.00 3.01 0.24 3.44 0.52 -1.26 -4.75 118.95 120.15 1h64 s ARG 4 Ca 0.00 1.81 -0.15 0.00 -0.52 0.00 0.00 55.73 56.87 1h64 s ARG 4 Cb 0.00 -1.94 0.30 0.00 0.52 0.00 0.00 34.95 33.83 1h64 s ARG 4 CO 0.00 -1.17 1.56 -1.35 0.02 0.00 0.00 175.30 174.36 1h64 h PRO 5 N 0.91 -0.01 -0.81 3.54 0.11 -2.05 0.35 132.00 134.04 1h64 h PRO 5 Ca -0.50 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1h64 h PRO 5 Cb 1.29 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 1h64 h PRO 5 CO 0.55 -0.01 0.53 -0.07 -0.21 0.00 0.00 178.00 178.79 1h64 h LEU 6 N -0.02 0.79 -0.13 2.35 3.38 -1.99 -2.17 115.31 117.52 1h64 h LEU 6 Ca 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 1h64 h LEU 6 Cb 0.63 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1h64 h LEU 6 CO -0.96 0.51 0.07 0.44 0.09 0.00 0.00 178.44 178.59 1h64 h ASP 7 N 0.90 0.16 -0.05 -0.43 3.45 -0.66 -1.66 116.42 118.13 1h64 h ASP 7 Ca 0.35 -0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.73 1h64 h ASP 7 Cb 0.21 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1h64 h ASP 7 CO -0.12 0.18 0.02 0.58 -1.57 0.00 0.00 179.24 178.33 1h64 h VAL 8 N 0.12 1.11 -0.81 -1.35 2.07 -1.01 -1.84 116.25 114.55 1h64 h VAL 8 Ca 0.05 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.31 1h64 h VAL 8 Cb 0.06 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1h64 h VAL 8 CO -0.01 0.09 0.53 0.40 0.02 0.00 0.00 177.57 178.60 1h64 h ILE 9 N -0.05 1.06 -0.11 4.57 1.08 -1.37 -2.23 117.51 120.47 1h64 h ILE 9 Ca 0.02 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1h64 h ILE 9 Cb 0.12 0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1h64 h ILE 9 CO -0.00 0.17 0.04 -0.74 -0.69 0.00 0.00 178.15 176.92 1h64 h HIS 10 N 0.91 0.17 0.00 1.37 2.76 -0.96 -2.88 115.15 116.52 1h64 h HIS 10 Ca 0.34 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1h64 h HIS 10 Cb 0.18 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1h64 h HIS 10 CO -0.00 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.91 1h64 h ARG 11 N -0.00 0.00 -0.43 5.26 3.08 -0.77 -2.46 114.38 119.06 1h64 h ARG 11 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1h64 h ARG 11 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1h64 h ARG 11 CO -0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 1h64 n SER 12 N -2.50 2.75 -4.69 7.04 7.64 -0.93 -4.92 113.62 118.00 1h64 n SER 12 Ca -0.01 -1.94 -0.44 0.00 1.01 0.00 0.00 58.87 57.49 1h64 n SER 12 Cb 0.12 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 1h64 n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h64 n LEU 13 N 1.01 3.43 -0.20 -3.43 4.77 -0.93 -0.80 117.00 120.85 1h64 n LEU 13 Ca 0.18 1.11 -0.03 0.00 -0.03 0.00 0.00 56.01 57.25 1h64 n LEU 13 Cb 0.46 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.06 1h64 n LEU 13 CO 0.13 -0.23 -0.02 -0.67 -1.33 0.00 0.00 177.39 175.26 1h64 n ASP 14 N 2.77 -4.85 -4.68 -1.43 2.03 0.64 -4.98 116.55 106.04 1h64 n ASP 14 Ca 0.13 0.06 -0.23 0.00 0.52 0.00 0.00 54.79 55.28 1h64 n ASP 14 Cb 0.32 -2.58 -0.07 0.00 -0.72 0.00 0.00 41.12 38.07 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1h64 s LYS 15 N -1.63 2.43 0.16 -0.67 1.02 0.02 -4.80 119.74 116.27 1h64 s LYS 15 Ca 0.00 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 1h64 s LYS 15 Cb 0.00 -2.25 -0.07 0.00 -0.52 0.00 0.00 37.83 34.99 1h64 s LYS 15 CO 0.00 0.37 1.17 0.34 -0.92 0.00 0.00 175.35 176.31 1h64 s ASP 16 N -3.70 7.14 0.07 2.83 -1.08 -1.26 -1.37 116.67 119.30 1h64 s ASP 16 Ca 0.32 2.15 0.01 0.00 -0.52 0.00 0.00 52.55 54.50 1h64 s ASP 16 Cb -0.07 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.75 1h64 s ASP 16 CO 0.21 -0.35 -0.05 0.68 0.52 0.00 0.00 175.17 176.18 1h64 s VAL 17 N 0.13 0.51 -0.23 1.11 -7.23 -0.76 -1.46 120.40 112.46 1h64 s VAL 17 Ca 0.53 -1.78 -0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1h64 s VAL 17 Cb -0.31 -1.48 0.03 0.00 0.56 0.00 0.00 36.38 35.18 1h64 s VAL 17 CO 0.35 -0.86 -0.10 -0.22 -0.31 0.00 0.00 175.10 173.96 1h64 s LEU 18 N -2.81 2.95 -0.42 1.32 2.96 0.48 -2.70 118.68 120.45 1h64 s LEU 18 Ca 0.07 -0.86 -0.14 0.00 -0.22 0.00 0.00 54.13 52.98 1h64 s LEU 18 Cb 0.04 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.16 1h64 s LEU 18 CO -0.06 -0.10 0.31 -0.69 -1.32 0.00 0.00 176.35 174.50 1h64 s VAL 19 N 1.29 5.11 -0.03 1.68 1.01 -0.04 -0.83 120.40 128.59 1h64 s VAL 19 Ca 0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1h64 s VAL 19 Cb -0.16 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1h64 s VAL 19 CO -0.07 -0.38 0.63 -0.63 0.00 0.00 0.00 175.10 174.65 1h64 s ILE 20 N 1.64 4.97 0.46 2.22 1.01 0.74 -1.27 121.20 130.97 1h64 s ILE 20 Ca 0.04 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.06 1h64 s ILE 20 Cb -0.21 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1h64 s ILE 20 CO 0.08 0.35 0.33 -0.76 0.00 0.00 0.00 174.94 174.94 1h64 s LEU 21 N 0.21 3.04 -1.13 2.97 1.02 -0.33 0.07 118.68 124.53 1h64 s LEU 21 Ca 0.33 -1.04 -0.19 0.00 0.02 0.00 0.00 54.13 53.26 1h64 s LEU 21 Cb -0.18 -1.54 0.10 0.00 0.02 0.00 0.00 46.19 44.59 1h64 s LEU 21 CO 0.17 -0.80 1.47 -0.54 0.02 0.00 0.00 176.35 176.68 1h64 s LYS 22 N -4.12 3.82 0.00 1.70 1.02 -1.23 -3.98 119.74 116.95 1h64 s LYS 22 Ca 0.40 -1.83 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1h64 s LYS 22 Cb -0.01 -5.27 0.00 0.00 -0.52 0.00 0.00 37.83 32.03 1h64 s LYS 22 CO 0.24 -2.05 0.00 1.17 -0.92 0.00 0.00 175.35 173.79 1h64 n LYS 23 N 7.59 0.00 -3.32 1.68 0.00 -1.26 -4.89 118.16 117.95 1h64 n LYS 23 Ca 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 58.31 58.51 1h64 n LYS 23 Cb 0.47 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.58 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1h64 n GLY 24 N 0.00 -0.29 2.97 3.14 0.00 -1.26 -4.99 105.19 104.77 1h64 n GLY 24 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1h64 n GLY 24 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h64 s PHE 25 N -3.30 0.92 0.05 1.61 2.19 -1.26 -4.24 117.98 113.95 1h64 s PHE 25 Ca 0.20 -0.25 -0.04 0.00 0.33 0.00 0.00 56.93 57.17 1h64 s PHE 25 Cb -0.09 -0.69 -0.02 0.00 -1.31 0.00 0.00 43.02 40.91 1h64 s PHE 25 CO 0.63 -0.13 0.06 -1.21 1.83 0.00 0.00 175.22 176.40 1h64 s GLU 26 N 0.39 0.60 0.02 10.12 8.01 -0.06 -1.19 118.70 136.60 1h64 s GLU 26 Ca -0.06 -0.90 0.08 0.00 0.01 0.00 0.00 54.97 54.10 1h64 s GLU 26 Cb -0.10 0.23 -0.02 0.00 -4.31 0.00 0.00 34.13 29.92 1h64 s GLU 26 CO 0.01 -0.14 -0.24 -0.06 0.01 0.00 0.00 175.26 174.83 1h64 s PHE 27 N -3.04 2.16 -0.02 1.61 0.40 -0.40 1.00 117.98 119.68 1h64 s PHE 27 Ca -0.01 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1h64 s PHE 27 Cb 0.01 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.23 1h64 s PHE 27 CO -0.07 0.07 -0.05 0.50 0.70 0.00 0.00 175.22 176.37 1h64 s ARG 28 N -1.00 0.62 0.00 0.44 3.52 -0.76 -0.86 118.95 120.90 1h64 s ARG 28 Ca 0.10 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1h64 s ARG 28 Cb -0.09 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.67 1h64 s ARG 28 CO 0.01 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1h64 n GLY 29 N 3.45 -1.58 3.64 8.12 0.00 -1.10 -0.19 105.19 117.53 1h64 n GLY 29 Ca -0.19 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1h64 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h64 s ARG 30 N -1.73 4.13 -0.06 1.61 3.52 -0.85 -1.83 118.95 123.74 1h64 s ARG 30 Ca 0.00 0.89 -0.30 0.00 -0.13 0.00 0.00 55.73 56.19 1h64 s ARG 30 Cb 0.00 -3.67 -0.05 0.00 -1.56 0.00 0.00 34.95 29.67 1h64 s ARG 30 CO 0.00 -0.59 1.58 -1.17 -0.81 0.00 0.00 175.30 174.31 1h64 s LEU 31 N 2.95 4.30 0.00 -0.88 2.96 -0.47 -1.31 118.68 126.23 1h64 s LEU 31 Ca 0.36 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1h64 s LEU 31 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1h64 s LEU 31 CO 0.09 -0.89 0.23 2.30 -1.32 0.00 0.00 176.35 176.76 1h64 n ILE 32 N 5.40 0.00 -3.63 6.68 -5.35 -0.41 0.23 119.36 122.29 1h64 n ILE 32 Ca 0.16 -0.48 -0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1h64 n ILE 32 Cb 0.43 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 39.34 1h64 n ILE 32 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1h64 s GLY 33 N -0.50 -0.38 -0.02 3.28 0.00 -1.19 -4.88 107.32 103.63 1h64 s GLY 33 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 1h64 s GLY 33 CO 0.00 0.18 1.30 -2.52 0.00 0.00 0.00 173.10 172.06 1h64 s TYR 34 N -2.54 -0.01 0.29 1.90 -0.85 -1.26 -1.21 117.35 113.67 1h64 s TYR 34 Ca 0.13 -0.10 0.03 0.00 -0.52 0.00 0.00 57.07 56.62 1h64 s TYR 34 Cb 0.03 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.89 1h64 s TYR 34 CO -0.03 -0.26 0.26 0.16 -1.52 0.00 0.00 175.55 174.16 1h64 s ASP 35 N -3.34 1.12 0.60 -0.18 1.47 -1.01 -4.98 116.67 110.35 1h64 s ASP 35 Ca 0.21 -1.60 0.40 0.00 1.18 0.00 0.00 52.55 52.74 1h64 s ASP 35 Cb 0.03 0.52 2.14 0.00 -0.34 0.00 0.00 42.92 45.27 1h64 s ASP 35 CO -0.03 -1.03 2.23 0.16 0.68 0.00 0.00 175.17 177.19 1h64 h ILE 36 N 2.27 0.00 -0.08 2.11 3.07 -2.03 -0.91 117.51 121.94 1h64 h ILE 36 Ca -0.28 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1h64 h ILE 36 Cb 1.24 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 1h64 h ILE 36 CO 0.41 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.92 1h64 n HIS 37 N -2.95 0.09 -2.05 0.16 8.25 -1.26 -4.90 115.22 112.56 1h64 n HIS 37 Ca -0.02 -0.04 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 1h64 n HIS 37 Cb 0.09 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1h64 n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1h64 n LEU 38 N -0.01 -1.30 -4.79 2.41 4.77 -0.35 -4.49 117.00 113.25 1h64 n LEU 38 Ca 0.18 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.82 1h64 n LEU 38 Cb 0.28 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.82 1h64 n LEU 38 CO 0.14 -0.14 0.70 0.20 -1.33 0.00 0.00 177.39 176.97 1h64 s ASN 39 N -2.65 6.79 0.09 -1.43 0.01 -1.26 -3.61 114.94 112.89 1h64 s ASN 39 Ca 0.00 1.92 0.02 0.00 -0.71 0.00 0.00 52.86 54.09 1h64 s ASN 39 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1h64 s ASN 39 CO 0.00 -0.46 -0.07 0.68 -1.51 0.00 0.00 177.10 175.73 1h64 s VAL 40 N -1.82 0.72 -0.08 1.60 -7.23 -0.36 -2.40 120.40 110.83 1h64 s VAL 40 Ca 0.59 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 59.02 1h64 s VAL 40 Cb -0.18 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1h64 s VAL 40 CO 0.22 -0.76 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.36 1h64 s VAL 41 N -3.15 1.75 0.00 1.32 1.01 -0.35 -0.57 120.40 120.41 1h64 s VAL 41 Ca 0.08 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1h64 s VAL 41 Cb 0.02 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1h64 s VAL 41 CO -0.03 0.49 -0.18 -0.76 0.00 0.00 0.00 175.10 174.62 1h64 s LEU 42 N 0.34 2.07 0.14 3.92 1.43 -0.31 -1.29 118.68 124.97 1h64 s LEU 42 Ca -0.15 -0.36 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1h64 s LEU 42 Cb -0.16 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 1h64 s LEU 42 CO 0.06 0.19 0.02 0.00 0.23 0.00 0.00 176.35 176.85 1h64 s ALA 43 N -0.52 3.29 -0.97 4.21 0.00 -0.43 -0.58 121.76 126.76 1h64 s ALA 43 Ca 0.06 -1.24 -0.13 0.00 0.00 0.00 0.00 51.96 50.66 1h64 s ALA 43 Cb -0.07 -1.13 0.01 0.00 0.00 0.00 0.00 23.12 21.93 1h64 s ALA 43 CO -0.00 0.58 0.66 -0.25 0.00 0.00 0.00 175.76 176.75 1h64 n ASP 44 N 0.15 -4.95 -4.72 0.00 10.43 0.33 -2.01 116.55 115.79 1h64 n ASP 44 Ca -0.10 -1.00 -0.23 0.00 2.57 0.00 0.00 54.79 56.03 1h64 n ASP 44 Cb 0.54 -2.17 -0.06 0.00 1.84 0.00 0.00 41.12 41.27 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1h64 s ALA 45 N -3.20 3.33 -0.06 2.24 0.00 -0.33 -4.21 121.76 119.53 1h64 s ALA 45 Ca 0.20 -1.55 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 1h64 s ALA 45 Cb -0.10 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1h64 s ALA 45 CO 0.90 0.27 -0.01 -1.83 0.00 0.00 0.00 175.76 175.09 1h64 s GLU 46 N -3.71 0.63 0.02 0.00 -1.05 0.73 -0.76 118.70 114.55 1h64 s GLU 46 Ca 0.32 0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.88 1h64 s GLU 46 Cb -0.07 -0.87 -0.04 0.00 -0.44 0.00 0.00 34.13 32.71 1h64 s GLU 46 CO 0.22 -0.22 1.09 1.41 0.95 0.00 0.00 175.26 178.71 1h64 s MET 47 N 1.57 4.48 0.11 -4.83 -2.45 0.87 -1.83 119.30 117.21 1h64 s MET 47 Ca -0.01 1.59 0.11 0.00 -1.25 0.00 0.00 55.69 56.12 1h64 s MET 47 Cb -0.13 -3.42 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 1h64 s MET 47 CO -0.03 -0.19 -0.27 0.42 1.05 0.00 0.00 175.02 176.00 1h64 s ILE 48 N 1.18 2.21 -0.27 10.11 1.01 0.28 -1.22 121.20 134.50 1h64 s ILE 48 Ca 0.55 -1.67 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 1h64 s ILE 48 Cb -0.25 -1.95 0.14 0.00 0.01 0.00 0.00 42.46 40.42 1h64 s ILE 48 CO 0.27 0.14 0.37 -1.58 0.00 0.00 0.00 174.94 174.14 1h64 s GLN 49 N -1.89 0.37 -0.63 2.79 0.74 -0.02 -0.88 119.66 120.14 1h64 s GLN 49 Ca 0.13 0.21 -0.00 0.00 0.05 0.00 0.00 55.36 55.75 1h64 s GLN 49 Cb -0.10 -0.47 -0.01 0.00 1.10 0.00 0.00 33.01 33.54 1h64 s GLN 49 CO 0.05 -0.89 0.53 -0.25 -0.55 0.00 0.00 175.29 174.18 1h64 n ASP 50 N 5.35 -2.37 0.00 6.67 8.00 -1.26 -3.13 116.55 129.81 1h64 n ASP 50 Ca -0.02 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1h64 n ASP 50 Cb 0.49 -2.99 0.00 0.00 -0.02 0.00 0.00 41.12 38.60 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h64 n GLY 51 N -1.11 0.13 3.25 0.44 0.00 -1.26 -4.97 105.19 101.67 1h64 n GLY 51 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1h64 n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h64 s GLU 52 N -1.42 2.64 -0.05 1.61 2.12 -1.18 -5.11 118.70 117.30 1h64 s GLU 52 Ca 0.00 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 1h64 s GLU 52 Cb 0.00 -2.16 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 1h64 s GLU 52 CO 0.00 0.32 1.00 0.08 -0.54 0.00 0.00 175.26 176.12 1h64 s VAL 53 N -0.01 4.81 -0.05 3.70 1.01 -1.26 -0.84 120.40 127.77 1h64 s VAL 53 Ca -0.08 2.04 0.08 0.00 0.00 0.00 0.00 61.98 64.02 1h64 s VAL 53 Cb -0.15 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 1h64 s VAL 53 CO 0.05 0.08 0.10 1.33 0.00 0.00 0.00 175.10 176.66 1h64 n VAL 54 N 4.24 0.29 -3.81 2.92 0.24 -0.35 -4.98 118.33 116.88 1h64 n VAL 54 Ca 0.07 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 62.01 1h64 n VAL 54 Cb 0.50 -0.30 -0.07 0.00 -1.47 0.00 0.00 33.84 32.50 1h64 n VAL 54 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1h64 s LYS 55 N -2.36 0.84 0.02 7.34 -0.14 -1.21 -4.99 119.74 119.24 1h64 s LYS 55 Ca -0.03 -0.79 0.01 0.00 -1.36 0.00 0.00 55.97 53.79 1h64 s LYS 55 Cb 0.04 0.35 -0.02 0.00 -1.68 0.00 0.00 37.83 36.52 1h64 s LYS 55 CO 0.33 -0.27 -0.04 1.03 -0.76 0.00 0.00 175.35 175.64 1h64 s ARG 56 N -3.40 0.32 0.01 1.68 0.52 -1.26 -0.09 118.95 116.73 1h64 s ARG 56 Ca 0.01 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.71 1h64 s ARG 56 Cb 0.02 -0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.43 1h64 s ARG 56 CO -0.09 -0.00 -0.01 0.71 0.02 0.00 0.00 175.30 175.93 1h64 s TYR 57 N -1.07 0.18 -0.00 -0.53 1.51 0.06 -4.99 117.35 112.51 1h64 s TYR 57 Ca -0.10 -0.38 -0.25 0.00 -1.01 0.00 0.00 57.07 55.33 1h64 s TYR 57 Cb -0.08 -0.14 -0.19 0.00 -0.11 0.00 0.00 41.96 41.45 1h64 s TYR 57 CO -0.00 -0.15 1.32 0.78 -1.11 0.00 0.00 175.55 176.38 1h64 h GLY 58 N 4.97 0.05 -5.59 0.71 0.00 -1.92 -0.84 103.07 100.45 1h64 h GLY 58 Ca -0.30 -0.05 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 1h64 h GLY 58 CO 0.43 0.05 -0.49 1.25 0.00 0.00 0.00 176.54 177.77 1h64 s LYS 59 N -4.43 0.22 -0.06 4.80 2.20 -1.26 0.12 119.74 121.33 1h64 s LYS 59 Ca -0.15 0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.75 1h64 s LYS 59 Cb 0.02 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1h64 s LYS 59 CO 0.68 -0.07 0.14 -1.50 -0.36 0.00 0.00 175.35 174.25 1h64 s ILE 60 N 0.42 -0.02 -0.25 5.43 2.07 0.25 -4.99 121.20 124.11 1h64 s ILE 60 Ca -0.03 0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.20 1h64 s ILE 60 Cb -0.04 -0.22 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 1h64 s ILE 60 CO -0.02 0.03 0.11 -0.69 -1.91 0.00 0.00 174.94 172.46 1h64 s VAL 61 N 0.51 4.73 -0.17 4.00 1.01 -1.26 -1.16 120.40 128.06 1h64 s VAL 61 Ca -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1h64 s VAL 61 Cb -0.05 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1h64 s VAL 61 CO -0.02 0.32 0.01 -0.63 0.00 0.00 0.00 175.10 174.78 1h64 s ILE 62 N 1.53 4.33 -0.04 2.22 1.01 0.26 -4.99 121.20 125.52 1h64 s ILE 62 Ca 0.06 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1h64 s ILE 62 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1h64 s ILE 62 CO 0.06 0.48 1.04 -0.13 0.00 0.00 0.00 174.94 176.39 1h64 s ARG 63 N 0.35 4.47 0.59 2.79 0.52 -1.26 -1.22 118.95 125.19 1h64 s ARG 63 Ca -0.01 1.47 0.30 0.00 -0.52 0.00 0.00 55.73 56.97 1h64 s ARG 63 Cb -0.13 -3.50 1.82 0.00 0.52 0.00 0.00 34.95 33.66 1h64 s ARG 63 CO 0.02 -0.23 2.24 0.78 0.02 0.00 0.00 175.30 178.13 1h64 h GLY 64 N 7.47 0.00 1.63 -3.53 0.00 -1.79 -2.84 103.07 104.01 1h64 h GLY 64 Ca -0.36 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.02 1h64 h GLY 64 CO 0.82 0.00 0.15 -1.80 0.00 0.00 0.00 176.54 175.70 1h64 h ASP 65 N 0.00 0.06 0.20 0.19 -0.00 -1.88 -1.06 116.42 113.93 1h64 h ASP 65 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1h64 h ASP 65 Cb 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 39.37 1h64 h ASP 65 CO -0.00 0.04 -0.28 0.59 -0.00 0.00 0.00 179.24 179.60 1h64 n ASN 66 N -4.49 1.17 -4.72 2.28 3.02 -1.07 -4.92 115.26 106.53 1h64 n ASN 66 Ca 0.02 -0.99 -0.41 0.00 -0.03 0.00 0.00 54.58 53.17 1h64 n ASN 66 Cb 0.24 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.55 1h64 n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h64 s VAL 67 N -2.48 4.75 -0.13 2.41 1.01 -0.40 -3.53 120.40 122.02 1h64 s VAL 67 Ca 0.24 1.95 -0.10 0.00 0.00 0.00 0.00 61.98 64.07 1h64 s VAL 67 Cb 0.19 -4.27 -0.25 0.00 0.00 0.00 0.00 36.38 32.05 1h64 s VAL 67 CO 0.52 0.24 0.35 0.25 0.00 0.00 0.00 175.10 176.47 1h64 h LEU 68 N 6.27 0.35 -7.00 3.92 5.85 -0.65 -3.48 115.31 120.57 1h64 h LEU 68 Ca -0.42 -0.87 0.08 0.00 0.84 0.00 0.00 57.88 57.51 1h64 h LEU 68 Cb 1.21 -0.11 -0.17 0.00 0.37 0.00 0.00 40.66 41.96 1h64 h LEU 68 CO 0.74 1.79 0.45 0.00 -0.34 0.00 0.00 178.44 181.08 1h64 s ALA 69 N -2.52 -1.82 -0.05 1.25 0.00 -1.05 -5.01 121.76 112.56 1h64 s ALA 69 Ca -0.23 1.10 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1h64 s ALA 69 Cb 0.06 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1h64 s ALA 69 CO 0.74 -0.60 -0.13 0.42 0.00 0.00 0.00 175.76 176.19 1h64 s ILE 70 N -2.64 1.14 -0.07 0.00 1.01 -1.26 -0.19 121.20 119.20 1h64 s ILE 70 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1h64 s ILE 70 Cb -0.01 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.46 1h64 s ILE 70 CO -0.06 0.35 -0.06 -0.55 0.00 0.00 0.00 174.94 174.62 1h64 s SER 71 N 0.38 1.56 -0.12 3.58 0.15 -0.01 -4.96 113.70 114.29 1h64 s SER 71 Ca -0.09 -0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.06 1h64 s SER 71 Cb -0.13 -0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 63.52 1h64 s SER 71 CO 0.03 -0.08 1.37 -2.84 1.20 0.00 0.00 173.24 172.92 1h64 s PRO 72 N 1.27 4.23 0.00 5.44 0.02 -1.26 -0.38 135.00 144.31 1h64 s PRO 72 Ca -0.05 1.82 0.13 0.00 0.02 0.00 0.00 61.00 62.92 1h64 s PRO 72 Cb -0.14 -3.80 0.79 0.00 0.02 0.00 0.00 34.50 31.37 1h64 s PRO 72 CO -0.02 -0.72 1.21 2.41 -0.33 0.00 0.00 177.00 179.55