#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 3.26 0.28 3.44 3.52 -1.26 -4.78 118.95 123.41 1h64 s ARG 4 Ca 0.00 1.94 -0.02 0.00 -0.13 0.00 0.00 55.73 57.52 1h64 s ARG 4 Cb 0.00 -2.17 0.61 0.00 -1.56 0.00 0.00 34.95 31.83 1h64 s ARG 4 CO 0.00 -1.00 1.61 -1.35 -0.81 0.00 0.00 175.30 173.75 1h64 h PRO 5 N 1.42 0.09 -0.05 5.12 0.11 -2.05 0.46 132.00 137.09 1h64 h PRO 5 Ca -0.50 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1h64 h PRO 5 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1h64 h PRO 5 CO 0.57 0.06 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.10 1h64 h LEU 6 N 0.09 0.08 -0.24 2.35 4.07 -2.00 -2.29 115.31 117.36 1h64 h LEU 6 Ca 0.51 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.38 1h64 h LEU 6 Cb 0.99 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 1h64 h LEU 6 CO -0.77 0.33 -0.14 0.44 -1.08 0.00 0.00 178.44 177.23 1h64 h ASP 7 N 0.07 0.54 -0.43 -0.43 3.45 -0.47 -2.17 116.42 116.98 1h64 h ASP 7 Ca 0.01 -0.42 -0.02 0.00 0.43 0.00 0.00 57.03 57.03 1h64 h ASP 7 Cb 0.49 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.09 1h64 h ASP 7 CO 0.03 0.85 0.20 0.58 -1.57 0.00 0.00 179.24 179.34 1h64 h VAL 8 N 0.24 1.18 -0.30 -1.35 2.07 -1.05 -1.71 116.25 115.33 1h64 h VAL 8 Ca 0.05 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1h64 h VAL 8 Cb 0.66 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1h64 h VAL 8 CO 0.04 0.20 0.19 0.40 0.02 0.00 0.00 177.57 178.42 1h64 h ILE 9 N 0.56 1.09 -0.64 4.57 1.08 -1.42 -2.28 117.51 120.47 1h64 h ILE 9 Ca 0.15 -0.20 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 1h64 h ILE 9 Cb 0.13 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 1h64 h ILE 9 CO -0.02 0.09 0.31 -0.74 -0.69 0.00 0.00 178.15 177.11 1h64 h HIS 10 N 0.40 0.57 0.00 1.37 2.76 -1.17 -0.72 115.15 118.35 1h64 h HIS 10 Ca 0.11 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1h64 h HIS 10 Cb -0.02 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1h64 h HIS 10 CO -0.05 0.23 0.00 -0.09 -1.30 0.00 0.00 177.93 176.72 1h64 h ARG 11 N 0.56 0.00 -0.09 5.26 2.43 -0.94 -2.38 114.38 119.22 1h64 h ARG 11 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1h64 h ARG 11 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1h64 h ARG 11 CO -0.23 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 178.66 1h64 n SER 12 N -2.92 1.60 -4.71 -3.80 7.64 -0.28 -4.91 113.62 106.23 1h64 n SER 12 Ca -0.01 -1.61 -0.43 0.00 1.01 0.00 0.00 58.87 57.84 1h64 n SER 12 Cb 0.19 -0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.26 3.78 0.00 -3.43 4.77 -0.90 -1.10 117.00 120.38 1h64 n LEU 13 Ca 0.18 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.35 1h64 n LEU 13 Cb 0.35 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.92 1h64 n LEU 13 CO 0.15 -0.30 0.00 0.47 -1.33 0.00 0.00 177.39 176.37 1h64 n ASP 14 N 1.09 -3.79 -4.74 -1.43 8.00 0.37 -4.98 116.55 111.08 1h64 n ASP 14 Ca 0.06 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.33 1h64 n ASP 14 Cb 0.36 -2.34 -0.06 0.00 -0.02 0.00 0.00 41.12 39.05 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1h64 s LYS 15 N -1.20 2.48 0.22 -1.24 1.02 -0.26 -4.78 119.74 115.98 1h64 s LYS 15 Ca 0.00 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 1h64 s LYS 15 Cb 0.00 -2.27 -0.08 0.00 -0.52 0.00 0.00 37.83 34.96 1h64 s LYS 15 CO 0.00 0.22 1.11 0.34 -0.92 0.00 0.00 175.35 176.11 1h64 s ASP 16 N -3.82 7.25 0.06 2.83 2.15 -1.26 -0.75 116.67 123.13 1h64 s ASP 16 Ca 0.36 2.18 -0.01 0.00 0.43 0.00 0.00 52.55 55.50 1h64 s ASP 16 Cb -0.05 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.92 1h64 s ASP 16 CO 0.23 -0.21 -0.01 0.68 -0.17 0.00 0.00 175.17 175.69 1h64 s VAL 17 N -0.58 0.20 -0.20 1.11 -7.23 -0.22 -1.46 120.40 112.03 1h64 s VAL 17 Ca 0.48 -1.79 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1h64 s VAL 17 Cb -0.31 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 1h64 s VAL 17 CO 0.37 -0.93 -0.03 -0.22 -0.31 0.00 0.00 175.10 173.99 1h64 s LEU 18 N -2.93 3.09 -0.36 1.32 2.96 0.10 -2.29 118.68 120.56 1h64 s LEU 18 Ca 0.09 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 1h64 s LEU 18 Cb 0.08 -1.77 0.07 0.00 0.50 0.00 0.00 46.19 45.06 1h64 s LEU 18 CO -0.09 0.05 0.14 -0.69 -1.32 0.00 0.00 176.35 174.45 1h64 s VAL 19 N 1.05 3.58 -0.13 1.68 1.01 0.39 -0.84 120.40 127.15 1h64 s VAL 19 Ca 0.01 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.29 1h64 s VAL 19 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1h64 s VAL 19 CO 0.01 -0.36 0.71 -0.63 0.00 0.00 0.00 175.10 174.83 1h64 s ILE 20 N 1.31 5.00 0.22 2.22 1.01 0.12 -1.15 121.20 129.94 1h64 s ILE 20 Ca 0.01 1.41 0.05 0.00 0.00 0.00 0.00 60.65 62.11 1h64 s ILE 20 Cb -0.21 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1h64 s ILE 20 CO 0.00 0.16 0.31 -0.76 0.00 0.00 0.00 174.94 174.65 1h64 s LEU 21 N 1.42 4.21 -0.98 2.97 1.43 -0.64 -0.26 118.68 126.84 1h64 s LEU 21 Ca 0.35 0.02 -0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1h64 s LEU 21 Cb -0.17 -2.76 -0.07 0.00 0.03 0.00 0.00 46.19 43.22 1h64 s LEU 21 CO 0.14 -0.04 2.15 0.29 0.23 0.00 0.00 176.35 179.13 1h64 n LYS 22 N -1.18 2.15 0.00 1.70 5.02 -1.14 -3.37 118.16 121.34 1h64 n LYS 22 Ca -0.08 -1.65 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 1h64 n LYS 22 Cb 0.57 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h64 n LYS 23 N 4.78 0.00 0.00 1.97 5.02 -1.26 -4.97 118.16 123.70 1h64 n LYS 23 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1h64 n LYS 23 Cb 0.20 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h64 n GLY 24 N -0.44 1.74 3.90 0.72 0.00 -1.22 -5.08 105.19 104.81 1h64 n GLY 24 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1h64 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h64 s PHE 25 N -2.03 3.54 0.20 1.61 0.08 -1.26 -4.40 117.98 115.72 1h64 s PHE 25 Ca 0.00 0.87 -0.21 0.00 0.12 0.00 0.00 56.93 57.71 1h64 s PHE 25 Cb 0.00 -2.34 0.05 0.00 -0.57 0.00 0.00 43.02 40.16 1h64 s PHE 25 CO 0.00 -0.22 0.61 -1.83 -0.10 0.00 0.00 175.22 173.68 1h64 s GLU 26 N -4.45 1.43 0.08 0.44 -1.05 -0.76 -1.62 118.70 112.76 1h64 s GLU 26 Ca 0.48 -0.70 0.09 0.00 -0.15 0.00 0.00 54.97 54.70 1h64 s GLU 26 Cb -0.10 0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 34.13 1h64 s GLU 26 CO 0.41 -0.63 -0.25 -0.06 0.95 0.00 0.00 175.26 175.68 1h64 s PHE 27 N -3.82 2.37 -0.02 4.83 0.40 -0.30 -0.22 117.98 121.21 1h64 s PHE 27 Ca 0.05 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 1h64 s PHE 27 Cb -0.02 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.16 1h64 s PHE 27 CO -0.06 0.24 -0.06 0.50 0.70 0.00 0.00 175.22 176.54 1h64 s ARG 28 N -1.61 0.74 -0.06 0.44 3.52 -0.34 -0.46 118.95 121.18 1h64 s ARG 28 Ca 0.13 -0.21 -0.19 0.00 -0.13 0.00 0.00 55.73 55.34 1h64 s ARG 28 Cb -0.10 -0.72 0.06 0.00 -1.56 0.00 0.00 34.95 32.63 1h64 s ARG 28 CO 0.04 0.06 0.84 0.41 -0.81 0.00 0.00 175.30 175.85 1h64 n GLY 29 N 3.40 0.21 3.65 8.12 0.00 -0.97 -1.07 105.19 118.53 1h64 n GLY 29 Ca -0.19 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.00 4.20 -0.14 1.61 3.52 -0.56 -1.05 118.95 124.53 1h64 s ARG 30 Ca 0.20 0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 56.12 1h64 s ARG 30 Cb -0.00 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1h64 s ARG 30 CO -0.02 -0.27 1.27 -1.17 -0.81 0.00 0.00 175.30 174.30 1h64 s LEU 31 N 2.01 4.21 0.00 -0.88 2.96 0.07 -0.11 118.68 126.93 1h64 s LEU 31 Ca 0.28 1.74 0.04 0.00 -0.22 0.00 0.00 54.13 55.98 1h64 s LEU 31 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1h64 s LEU 31 CO 0.10 -0.73 0.32 2.30 -1.32 0.00 0.00 176.35 177.02 1h64 n ILE 32 N 5.21 0.00 -3.61 6.68 -5.35 -0.62 0.14 119.36 121.82 1h64 n ILE 32 Ca 0.13 -0.44 -0.01 0.00 -0.27 0.00 0.00 62.75 62.17 1h64 n ILE 32 Cb 0.45 1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 39.37 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 -1.06 -0.35 0.14 3.28 0.00 -1.22 -4.88 107.32 103.23 1h64 s GLY 33 Ca 0.03 1.19 -0.25 0.00 0.00 0.00 0.00 44.72 45.68 1h64 s GLY 33 CO 0.13 0.33 1.02 -2.52 0.00 0.00 0.00 173.10 172.06 1h64 s TYR 34 N -2.35 -0.06 0.32 1.90 -0.85 -1.26 -0.97 117.35 114.08 1h64 s TYR 34 Ca 0.12 -0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.46 1h64 s TYR 34 Cb 0.02 0.65 -0.03 0.00 0.38 0.00 0.00 41.96 42.98 1h64 s TYR 34 CO -0.04 -0.79 0.18 0.16 -1.52 0.00 0.00 175.55 173.53 1h64 s ASP 35 N -3.07 1.71 0.65 -0.18 1.47 -0.83 -4.98 116.67 111.44 1h64 s ASP 35 Ca 0.15 -1.61 0.41 0.00 1.18 0.00 0.00 52.55 52.68 1h64 s ASP 35 Cb -0.01 0.43 2.27 0.00 -0.34 0.00 0.00 42.92 45.27 1h64 s ASP 35 CO 0.02 -0.92 2.33 -0.29 0.68 0.00 0.00 175.17 176.99 1h64 h ILE 36 N 2.15 0.13 -0.03 2.11 -0.00 -2.03 -0.38 117.51 119.45 1h64 h ILE 36 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 1h64 h ILE 36 Cb 1.25 0.99 0.00 0.00 -0.00 0.00 0.00 36.82 39.05 1h64 h ILE 36 CO 0.50 0.00 0.00 1.41 -0.00 0.00 0.00 178.15 180.06 1h64 n HIS 37 N -3.26 0.03 -1.94 2.19 -0.00 -1.26 -4.89 115.22 106.09 1h64 n HIS 37 Ca -0.03 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.72 57.57 1h64 n HIS 37 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.06 1h64 n HIS 37 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1h64 n LEU 38 N -0.42 -1.27 -4.79 2.41 4.77 -0.15 -4.45 117.00 113.10 1h64 n LEU 38 Ca 0.19 0.07 -0.36 0.00 -0.03 0.00 0.00 56.01 55.89 1h64 n LEU 38 Cb 0.21 -1.71 -0.05 0.00 -2.33 0.00 0.00 43.42 39.53 1h64 n LEU 38 CO 0.15 -0.24 0.69 0.20 -1.33 0.00 0.00 177.39 176.87 1h64 s ASN 39 N -2.63 6.92 0.06 -1.43 0.01 -1.26 -3.23 114.94 113.37 1h64 s ASN 39 Ca 0.00 1.91 0.01 0.00 -0.71 0.00 0.00 52.86 54.07 1h64 s ASN 39 Cb 0.00 -2.57 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1h64 s ASN 39 CO 0.00 -0.37 -0.06 0.68 -1.51 0.00 0.00 177.10 175.83 1h64 s VAL 40 N -1.77 0.50 -0.10 1.60 -7.23 -0.27 -1.97 120.40 111.17 1h64 s VAL 40 Ca 0.57 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1h64 s VAL 40 Cb -0.18 -1.06 -0.01 0.00 0.56 0.00 0.00 36.38 35.68 1h64 s VAL 40 CO 0.23 -0.65 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.52 1h64 s VAL 41 N -2.49 2.79 0.13 1.32 1.01 -0.15 -0.02 120.40 122.98 1h64 s VAL 41 Ca -0.01 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1h64 s VAL 41 Cb -0.02 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1h64 s VAL 41 CO -0.03 0.55 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 1h64 s LEU 42 N 0.02 2.33 0.09 3.92 1.43 0.14 -1.59 118.68 125.02 1h64 s LEU 42 Ca -0.06 -0.74 0.10 0.00 -1.03 0.00 0.00 54.13 52.40 1h64 s LEU 42 Cb -0.15 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1h64 s LEU 42 CO 0.05 0.10 -0.27 0.00 0.23 0.00 0.00 176.35 176.46 1h64 s ALA 43 N -1.25 2.31 -1.23 4.21 0.00 0.84 -0.87 121.76 125.77 1h64 s ALA 43 Ca 0.11 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.59 1h64 s ALA 43 Cb -0.09 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1h64 s ALA 43 CO 0.06 0.54 0.69 -0.25 0.00 0.00 0.00 175.76 176.79 1h64 n ASP 44 N 1.35 -3.45 -4.97 0.00 8.00 0.99 -1.50 116.55 116.98 1h64 n ASP 44 Ca -0.17 -0.97 -0.21 0.00 0.71 0.00 0.00 54.79 54.14 1h64 n ASP 44 Cb 0.52 -3.47 -0.02 0.00 -0.02 0.00 0.00 41.12 38.14 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h64 s ALA 45 N -3.62 3.91 0.01 2.24 0.00 0.69 -4.40 121.76 120.58 1h64 s ALA 45 Ca 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1h64 s ALA 45 Cb -0.10 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1h64 s ALA 45 CO 0.86 0.19 -0.02 -1.83 0.00 0.00 0.00 175.76 174.96 1h64 s GLU 46 N -4.04 0.17 -0.15 0.00 -1.05 -0.23 -0.00 118.70 113.40 1h64 s GLU 46 Ca 0.35 -0.30 -0.14 0.00 -0.15 0.00 0.00 54.97 54.74 1h64 s GLU 46 Cb -0.09 0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.57 1h64 s GLU 46 CO 0.30 -0.01 0.30 1.41 0.95 0.00 0.00 175.26 178.20 1h64 s MET 47 N -0.69 4.22 0.08 -4.83 -2.45 -0.30 -1.20 119.30 114.13 1h64 s MET 47 Ca -0.07 0.11 0.09 0.00 -1.25 0.00 0.00 55.69 54.57 1h64 s MET 47 Cb -0.05 -3.41 -0.03 0.00 1.25 0.00 0.00 34.83 32.59 1h64 s MET 47 CO -0.00 0.27 -0.25 0.42 1.05 0.00 0.00 175.02 176.50 1h64 s ILE 48 N 0.36 2.07 -0.06 10.11 1.01 0.69 -0.21 121.20 135.18 1h64 s ILE 48 Ca 0.17 -1.50 -0.03 0.00 0.00 0.00 0.00 60.65 59.29 1h64 s ILE 48 Cb -0.13 -1.81 0.04 0.00 0.01 0.00 0.00 42.46 40.57 1h64 s ILE 48 CO 0.04 0.21 0.08 -1.58 0.00 0.00 0.00 174.94 173.69 1h64 s GLN 49 N -1.57 -0.05 -1.40 2.79 2.00 -0.33 -1.83 119.66 119.27 1h64 s GLN 49 Ca 0.11 0.36 -0.05 0.00 -2.00 0.00 0.00 55.36 53.79 1h64 s GLN 49 Cb -0.10 -0.61 0.03 0.00 0.80 0.00 0.00 33.01 33.13 1h64 s GLN 49 CO 0.04 -0.36 0.75 -3.47 -0.50 0.00 0.00 175.29 171.74 1h64 n ASP 50 N 5.30 -2.20 0.00 6.67 2.03 -1.26 -1.31 116.55 125.78 1h64 n ASP 50 Ca -0.04 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.44 1h64 n ASP 50 Cb 0.50 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h64 n GLY 51 N -1.66 0.29 3.49 0.27 0.00 -1.26 -5.00 105.19 101.32 1h64 n GLY 51 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1h64 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h64 s GLU 52 N -0.93 2.69 -0.03 1.61 2.02 -0.43 -5.09 118.70 118.55 1h64 s GLU 52 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1h64 s GLU 52 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1h64 s GLU 52 CO 0.00 0.57 1.18 0.08 0.02 0.00 0.00 175.26 177.11 1h64 s VAL 53 N -0.59 4.27 -0.05 2.63 1.01 -1.26 -1.19 120.40 125.22 1h64 s VAL 53 Ca 0.09 1.61 0.12 0.00 0.00 0.00 0.00 61.98 63.79 1h64 s VAL 53 Cb -0.11 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.06 1h64 s VAL 53 CO 0.01 0.04 0.19 1.33 0.00 0.00 0.00 175.10 176.67 1h64 n VAL 54 N 4.40 0.28 -3.46 2.92 0.24 0.71 -4.97 118.33 118.45 1h64 n VAL 54 Ca 0.10 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 1h64 n VAL 54 Cb 0.47 -0.10 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.67 1.23 0.07 7.34 1.02 -1.21 -4.98 119.74 120.55 1h64 s LYS 55 Ca -0.05 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.56 1h64 s LYS 55 Cb 0.06 0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 37.91 1h64 s LYS 55 CO 0.51 -0.52 -0.16 1.03 -0.92 0.00 0.00 175.35 175.29 1h64 s ARG 56 N -3.52 0.91 -0.01 1.68 0.52 -1.26 -1.15 118.95 116.13 1h64 s ARG 56 Ca 0.00 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1h64 s ARG 56 Cb -0.01 -0.98 0.01 0.00 0.52 0.00 0.00 34.95 34.49 1h64 s ARG 56 CO -0.11 0.23 -0.01 0.71 0.02 0.00 0.00 175.30 176.14 1h64 s TYR 57 N -1.19 0.17 0.11 -0.53 1.51 1.00 -4.97 117.35 113.44 1h64 s TYR 57 Ca 0.01 -0.01 -0.16 0.00 -1.01 0.00 0.00 57.07 55.90 1h64 s TYR 57 Cb -0.10 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 1h64 s TYR 57 CO 0.03 -0.03 1.53 0.78 -1.11 0.00 0.00 175.55 176.75 1h64 h GLY 58 N 6.37 0.70 -4.96 0.71 0.00 -1.93 0.20 103.07 104.16 1h64 h GLY 58 Ca -0.30 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.36 1h64 h GLY 58 CO 0.50 0.50 -0.26 1.25 0.00 0.00 0.00 176.54 178.54 1h64 s LYS 59 N -4.88 0.54 -0.16 4.80 2.20 -1.26 -0.00 119.74 120.98 1h64 s LYS 59 Ca -0.13 0.27 -0.13 0.00 -0.36 0.00 0.00 55.97 55.62 1h64 s LYS 59 Cb 0.09 0.25 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1h64 s LYS 59 CO 0.79 -0.11 0.41 -1.50 -0.36 0.00 0.00 175.35 174.58 1h64 s ILE 60 N -0.37 -0.01 -0.26 5.43 2.07 -0.05 -4.98 121.20 123.02 1h64 s ILE 60 Ca -0.05 0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.12 1h64 s ILE 60 Cb -0.03 -0.59 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 1h64 s ILE 60 CO 0.02 0.01 0.16 -0.69 -1.91 0.00 0.00 174.94 172.53 1h64 s VAL 61 N 0.60 5.11 -0.17 4.00 1.01 -1.26 -0.68 120.40 129.01 1h64 s VAL 61 Ca -0.03 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1h64 s VAL 61 Cb -0.05 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1h64 s VAL 61 CO -0.04 0.29 -0.04 -0.63 0.00 0.00 0.00 175.10 174.69 1h64 s ILE 62 N 1.54 3.78 -0.02 2.22 1.01 0.97 -4.97 121.20 125.72 1h64 s ILE 62 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1h64 s ILE 62 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1h64 s ILE 62 CO 0.08 0.47 1.18 -0.13 0.00 0.00 0.00 174.94 176.54 1h64 s ARG 63 N 0.62 4.39 0.52 2.79 0.52 -1.26 -1.12 118.95 125.42 1h64 s ARG 63 Ca -0.02 1.67 0.23 0.00 -0.52 0.00 0.00 55.73 57.09 1h64 s ARG 63 Cb -0.14 -3.49 1.35 0.00 0.52 0.00 0.00 34.95 33.19 1h64 s ARG 63 CO 0.02 -0.36 2.03 0.78 0.02 0.00 0.00 175.30 177.80 1h64 h GLY 64 N 7.71 0.02 1.53 -3.53 0.00 -1.77 -2.49 103.07 104.54 1h64 h GLY 64 Ca -0.37 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.00 1h64 h GLY 64 CO 0.85 0.00 0.20 -1.80 0.00 0.00 0.00 176.54 175.79 1h64 h ASP 65 N 0.01 0.00 -0.06 0.19 3.58 -1.87 -0.81 116.42 117.46 1h64 h ASP 65 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1h64 h ASP 65 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1h64 h ASP 65 CO -0.00 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.95 1h64 n ASN 66 N -3.57 2.83 -4.72 2.28 3.02 -0.94 -4.95 115.26 109.22 1h64 n ASN 66 Ca 0.01 -1.93 -0.40 0.00 -0.03 0.00 0.00 54.58 52.23 1h64 n ASN 66 Cb 0.30 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.40 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 -1.96 5.05 -0.17 2.41 1.01 -0.31 -2.90 120.40 123.53 1h64 s VAL 67 Ca 0.30 1.44 -0.25 0.00 0.00 0.00 0.00 61.98 63.47 1h64 s VAL 67 Cb 0.20 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.32 1h64 s VAL 67 CO 0.31 0.25 0.49 0.25 0.00 0.00 0.00 175.10 176.39 1h64 h LEU 68 N 6.80 0.03 -7.59 3.92 5.85 -0.90 -3.46 115.31 119.95 1h64 h LEU 68 Ca -0.41 -0.75 0.02 0.00 0.84 0.00 0.00 57.88 57.58 1h64 h LEU 68 Cb 1.20 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.13 1h64 h LEU 68 CO 0.75 1.28 0.17 0.00 -0.34 0.00 0.00 178.44 180.30 1h64 s ALA 69 N -2.31 -1.26 -0.05 1.25 0.00 -1.07 -5.03 121.76 113.30 1h64 s ALA 69 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1h64 s ALA 69 Cb 0.02 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1h64 s ALA 69 CO 0.65 -0.89 -0.03 0.42 0.00 0.00 0.00 175.76 175.91 1h64 s ILE 70 N -3.85 0.42 -0.12 0.00 1.01 -1.26 -0.70 121.20 116.70 1h64 s ILE 70 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1h64 s ILE 70 Cb -0.03 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.97 1h64 s ILE 70 CO -0.02 0.21 -0.14 -0.55 0.00 0.00 0.00 174.94 174.45 1h64 s SER 71 N 1.14 2.46 0.23 3.58 0.15 -0.02 -4.97 113.70 116.27 1h64 s SER 71 Ca -0.08 -0.42 -0.30 0.00 0.70 0.00 0.00 55.95 55.85 1h64 s SER 71 Cb -0.14 -1.08 -0.09 0.00 -1.71 0.00 0.00 66.02 63.01 1h64 s SER 71 CO -0.01 -0.03 1.07 -2.16 1.20 0.00 0.00 173.24 173.31 1h64 s PRO 72 N 1.23 4.66 0.00 5.44 0.04 -1.26 0.00 135.00 145.12 1h64 s PRO 72 Ca -0.02 1.70 0.09 0.00 0.04 0.00 0.00 61.00 62.82 1h64 s PRO 72 Cb -0.14 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.23 1h64 s PRO 72 CO -0.05 0.21 0.79 0.25 0.04 0.00 0.00 177.00 178.24