#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 2.60 0.24 3.49 0.52 -1.26 -4.81 118.95 119.74 1h64 s ARG 4 Ca 0.00 1.26 -0.09 0.00 -0.52 0.00 0.00 55.73 56.38 1h64 s ARG 4 Cb 0.00 -1.93 0.39 0.00 0.52 0.00 0.00 34.95 33.93 1h64 s ARG 4 CO 0.00 -1.39 1.62 -1.35 0.02 0.00 0.00 175.30 174.21 1h64 h PRO 5 N -0.49 0.05 -0.12 3.54 0.11 -2.05 -0.39 132.00 132.66 1h64 h PRO 5 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1h64 h PRO 5 Cb 1.24 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1h64 h PRO 5 CO 0.53 0.03 0.01 1.25 -0.21 0.00 0.00 178.00 179.61 1h64 h LEU 6 N 0.05 0.14 0.12 2.35 7.12 -1.99 -2.34 115.31 120.76 1h64 h LEU 6 Ca 0.39 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.39 1h64 h LEU 6 Cb 0.67 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1h64 h LEU 6 CO -0.71 0.17 -0.06 0.44 -0.13 0.00 0.00 178.44 178.15 1h64 h ASP 7 N 0.16 -0.13 -0.80 1.25 3.32 -1.43 -1.65 116.42 117.14 1h64 h ASP 7 Ca 0.04 -0.39 0.14 0.00 0.02 0.00 0.00 57.03 56.84 1h64 h ASP 7 Cb 0.10 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.60 1h64 h ASP 7 CO 0.00 0.36 0.39 0.58 -1.72 0.00 0.00 179.24 178.85 1h64 h VAL 8 N -0.68 0.73 -0.44 -1.35 2.07 -1.33 0.21 116.25 115.46 1h64 h VAL 8 Ca -0.02 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 1h64 h VAL 8 Cb 0.52 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1h64 h VAL 8 CO 0.03 0.10 -0.14 0.40 0.02 0.00 0.00 177.57 177.98 1h64 h ILE 9 N 0.57 1.26 -0.50 4.57 1.08 -1.43 -2.60 117.51 120.47 1h64 h ILE 9 Ca 0.43 -1.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.62 1h64 h ILE 9 Cb 0.60 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 1h64 h ILE 9 CO -0.36 0.42 0.12 -0.74 -0.69 0.00 0.00 178.15 176.90 1h64 h HIS 10 N 0.73 0.85 0.00 1.37 2.76 0.14 -2.41 115.15 118.58 1h64 h HIS 10 Ca 0.12 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1h64 h HIS 10 Cb 0.64 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.37 1h64 h HIS 10 CO 0.03 0.76 0.00 0.00 -1.30 0.00 0.00 177.93 177.42 1h64 h ARG 11 N 0.69 0.00 -0.04 5.26 3.08 -0.54 -2.52 114.38 120.31 1h64 h ARG 11 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1h64 h ARG 11 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 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 -2.37 1.89 -4.69 7.04 7.64 -0.91 -4.92 113.62 117.30 1h64 n SER 12 Ca 0.01 -1.64 -0.41 0.00 1.01 0.00 0.00 58.87 57.84 1h64 n SER 12 Cb 0.17 -0.02 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.48 3.91 -1.20 -3.43 4.77 -0.95 -1.30 117.00 119.27 1h64 n LEU 13 Ca 0.18 1.09 -0.16 0.00 -0.03 0.00 0.00 56.01 57.09 1h64 n LEU 13 Cb 0.41 -1.48 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 1h64 n LEU 13 CO 0.16 -0.75 -0.15 0.47 -1.33 0.00 0.00 177.39 175.79 1h64 n ASP 14 N 0.19 -5.39 -4.36 -1.43 9.92 0.26 -4.97 116.55 110.76 1h64 n ASP 14 Ca 0.07 0.39 -0.20 0.00 -0.53 0.00 0.00 54.79 54.52 1h64 n ASP 14 Cb 0.40 -4.27 -0.10 0.00 -0.64 0.00 0.00 41.12 36.50 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1h64 s LYS 15 N -3.30 1.38 0.14 -1.24 1.02 -0.42 -4.87 119.74 112.44 1h64 s LYS 15 Ca 0.00 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1h64 s LYS 15 Cb 0.00 -1.24 -0.07 0.00 -0.52 0.00 0.00 37.83 36.00 1h64 s LYS 15 CO 0.00 0.22 1.23 0.34 -0.92 0.00 0.00 175.35 176.22 1h64 s ASP 16 N -3.27 7.04 0.07 2.83 -1.08 -1.26 -1.07 116.67 119.93 1h64 s ASP 16 Ca 0.23 2.19 0.01 0.00 -0.52 0.00 0.00 52.55 54.46 1h64 s ASP 16 Cb -0.02 -2.60 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1h64 s ASP 16 CO 0.08 -0.45 -0.05 0.68 0.52 0.00 0.00 175.17 175.95 1h64 s VAL 17 N 0.44 0.50 -0.25 1.11 -7.23 -0.08 -4.52 120.40 110.38 1h64 s VAL 17 Ca 0.56 -1.76 -0.04 0.00 -1.81 0.00 0.00 61.98 58.94 1h64 s VAL 17 Cb -0.32 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.17 1h64 s VAL 17 CO 0.34 -0.85 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.04 1h64 s LEU 18 N -2.78 3.24 -0.40 1.32 2.96 0.73 -2.37 118.68 121.38 1h64 s LEU 18 Ca 0.07 -0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 53.25 1h64 s LEU 18 Cb 0.04 -1.75 0.07 0.00 0.50 0.00 0.00 46.19 45.05 1h64 s LEU 18 CO -0.06 -0.10 0.22 -0.69 -1.32 0.00 0.00 176.35 174.40 1h64 s VAL 19 N 1.43 4.10 -0.03 1.68 1.01 0.99 -0.58 120.40 129.00 1h64 s VAL 19 Ca 0.03 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 60.41 1h64 s VAL 19 Cb -0.16 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1h64 s VAL 19 CO -0.02 -0.43 0.79 -0.63 0.00 0.00 0.00 175.10 174.80 1h64 s ILE 20 N 1.41 4.95 0.48 2.22 1.01 0.31 -0.66 121.20 130.93 1h64 s ILE 20 Ca 0.02 1.64 0.07 0.00 0.00 0.00 0.00 60.65 62.38 1h64 s ILE 20 Cb -0.22 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.13 1h64 s ILE 20 CO 0.02 0.24 0.39 -0.76 0.00 0.00 0.00 174.94 174.83 1h64 s LEU 21 N 0.73 3.03 -1.06 2.97 1.43 -0.87 -0.31 118.68 124.60 1h64 s LEU 21 Ca 0.42 -1.02 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1h64 s LEU 21 Cb -0.19 -1.56 0.26 0.00 0.03 0.00 0.00 46.19 44.73 1h64 s LEU 21 CO 0.22 -0.88 1.04 0.29 0.23 0.00 0.00 176.35 177.25 1h64 n LYS 22 N -1.64 3.33 0.00 1.70 4.01 -1.25 -4.10 118.16 120.21 1h64 n LYS 22 Ca 0.01 -4.47 0.00 0.00 -0.51 0.00 0.00 58.31 53.34 1h64 n LYS 22 Cb 0.63 -2.51 0.00 0.00 -0.51 0.00 0.00 35.03 32.64 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1h64 n LYS 23 N 2.52 0.00 0.00 1.97 4.76 -1.26 -4.97 118.16 121.17 1h64 n LYS 23 Ca 0.24 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1h64 n LYS 23 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h64 n GLY 24 N 0.00 0.85 3.85 0.72 0.00 -1.26 -5.10 105.19 104.25 1h64 n GLY 24 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1h64 n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h64 s PHE 25 N -2.00 2.15 0.30 1.61 -0.71 -1.26 -4.03 117.98 114.04 1h64 s PHE 25 Ca 0.00 -0.70 -0.11 0.00 -1.04 0.00 0.00 56.93 55.08 1h64 s PHE 25 Cb 0.00 -1.97 0.01 0.00 -1.21 0.00 0.00 43.02 39.84 1h64 s PHE 25 CO 0.00 -0.19 0.55 -1.83 -1.34 0.00 0.00 175.22 172.41 1h64 s GLU 26 N -4.13 1.78 -0.00 1.99 -1.05 0.77 -2.05 118.70 116.01 1h64 s GLU 26 Ca 0.38 -1.41 0.07 0.00 -0.15 0.00 0.00 54.97 53.85 1h64 s GLU 26 Cb -0.01 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 1h64 s GLU 26 CO 0.22 -0.77 -0.21 -0.06 0.95 0.00 0.00 175.26 175.40 1h64 s PHE 27 N -3.45 1.87 -0.02 4.83 0.40 0.17 0.68 117.98 122.46 1h64 s PHE 27 Ca 0.23 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1h64 s PHE 27 Cb -0.02 -1.18 -0.01 0.00 0.51 0.00 0.00 43.02 42.32 1h64 s PHE 27 CO 0.13 -0.00 -0.18 1.03 0.70 0.00 0.00 175.22 176.90 1h64 s ARG 28 N -0.65 1.58 0.00 0.44 0.52 -0.83 -0.01 118.95 120.01 1h64 s ARG 28 Ca 0.08 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1h64 s ARG 28 Cb -0.08 -1.47 0.00 0.00 0.52 0.00 0.00 34.95 33.92 1h64 s ARG 28 CO -0.00 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.06 1h64 n GLY 29 N 2.82 -0.93 3.65 -3.53 0.00 -1.00 -0.80 105.19 105.41 1h64 n GLY 29 Ca -0.16 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 4.16 -0.22 1.61 3.52 -0.27 -0.90 118.95 124.85 1h64 s ARG 30 Ca 0.00 0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 1h64 s ARG 30 Cb 0.00 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1h64 s ARG 30 CO 0.00 -0.18 1.48 -1.17 -0.81 0.00 0.00 175.30 174.62 1h64 s LEU 31 N 1.76 3.97 0.00 -0.88 2.96 -0.23 0.35 118.68 126.60 1h64 s LEU 31 Ca 0.23 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1h64 s LEU 31 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1h64 s LEU 31 CO 0.09 -1.11 0.83 2.30 -1.32 0.00 0.00 176.35 177.15 1h64 n ILE 32 N 6.12 0.66 0.00 6.68 -5.35 -0.54 0.89 119.36 127.83 1h64 n ILE 32 Ca 0.17 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1h64 n ILE 32 Cb 0.45 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1h64 n ILE 32 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h64 n GLY 33 N -0.33 0.54 3.71 3.28 0.00 -1.21 -4.94 105.19 106.25 1h64 n GLY 33 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.28 1h64 n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h64 s TYR 34 N -2.00 -0.01 0.33 1.61 -0.85 -1.26 -1.57 117.35 113.59 1h64 s TYR 34 Ca 0.00 -0.06 0.06 0.00 -0.52 0.00 0.00 57.07 56.54 1h64 s TYR 34 Cb 0.00 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.85 1h64 s TYR 34 CO 0.00 -0.19 0.31 0.16 -1.52 0.00 0.00 175.55 174.31 1h64 s ASP 35 N -3.24 1.53 0.49 -0.18 1.47 -0.97 -4.99 116.67 110.79 1h64 s ASP 35 Ca 0.19 -1.71 0.33 0.00 1.18 0.00 0.00 52.55 52.54 1h64 s ASP 35 Cb 0.04 0.57 1.64 0.00 -0.34 0.00 0.00 42.92 44.83 1h64 s ASP 35 CO -0.04 -1.10 2.01 0.16 0.68 0.00 0.00 175.17 176.88 1h64 h ILE 36 N 2.14 0.00 -0.01 2.11 3.07 -2.03 -1.39 117.51 121.41 1h64 h ILE 36 Ca -0.26 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1h64 h ILE 36 Cb 1.23 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 1h64 h ILE 36 CO 0.37 0.00 -0.06 1.41 -1.05 0.00 0.00 178.15 178.82 1h64 n HIS 37 N -2.76 0.00 -1.15 0.16 8.25 -1.26 -4.90 115.22 113.56 1h64 n HIS 37 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1h64 n HIS 37 Cb 0.15 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.74 -0.30 -4.77 2.41 4.32 -0.52 -4.40 117.00 112.99 1h64 n LEU 38 Ca 0.18 0.08 -0.38 0.00 -0.02 0.00 0.00 56.01 55.87 1h64 n LEU 38 Cb 0.25 -0.90 -0.03 0.00 -1.62 0.00 0.00 43.42 41.12 1h64 n LEU 38 CO 0.21 -0.18 0.78 0.20 -1.22 0.00 0.00 177.39 177.18 1h64 s ASN 39 N -2.96 6.73 0.12 -1.43 0.01 -1.26 -3.50 114.94 112.65 1h64 s ASN 39 Ca 0.00 2.19 0.03 0.00 -0.71 0.00 0.00 52.86 54.38 1h64 s ASN 39 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1h64 s ASN 39 CO 0.00 -0.52 -0.09 0.68 -1.51 0.00 0.00 177.10 175.66 1h64 s VAL 40 N -1.49 0.96 -0.12 1.60 -7.23 -0.17 -2.28 120.40 111.67 1h64 s VAL 40 Ca 0.56 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1h64 s VAL 40 Cb -0.27 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1h64 s VAL 40 CO 0.34 -0.73 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.48 1h64 s VAL 41 N -3.16 2.09 0.11 1.32 1.01 -0.61 -0.51 120.40 120.66 1h64 s VAL 41 Ca 0.12 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.21 1h64 s VAL 41 Cb 0.02 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1h64 s VAL 41 CO -0.01 0.55 -0.24 -0.76 0.00 0.00 0.00 175.10 174.65 1h64 s LEU 42 N 0.53 2.45 -0.02 3.92 1.43 -0.31 -1.47 118.68 125.20 1h64 s LEU 42 Ca -0.14 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 1h64 s LEU 42 Cb -0.17 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1h64 s LEU 42 CO 0.05 0.19 -0.13 0.00 0.23 0.00 0.00 176.35 176.68 1h64 s ALA 43 N -1.06 2.73 -1.23 4.21 0.00 0.15 -1.57 121.76 125.00 1h64 s ALA 43 Ca 0.15 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 1h64 s ALA 43 Cb -0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 1h64 s ALA 43 CO 0.07 0.57 0.70 -0.25 0.00 0.00 0.00 175.76 176.85 1h64 n ASP 44 N 2.01 -3.20 -4.88 0.00 8.00 0.21 -1.11 116.55 117.59 1h64 n ASP 44 Ca -0.17 -0.94 -0.30 0.00 0.71 0.00 0.00 54.79 54.10 1h64 n ASP 44 Cb 0.52 -3.65 -0.03 0.00 -0.02 0.00 0.00 41.12 37.95 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 3.36 -0.06 2.24 0.00 0.22 -4.47 121.76 119.43 1h64 s ALA 45 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1h64 s ALA 45 Cb -0.08 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1h64 s ALA 45 CO 0.84 -0.07 0.11 -1.83 0.00 0.00 0.00 175.76 174.81 1h64 s GLU 46 N -3.99 -0.01 0.00 0.00 -1.05 0.02 0.21 118.70 113.89 1h64 s GLU 46 Ca 0.51 0.43 -0.30 0.00 -0.15 0.00 0.00 54.97 55.45 1h64 s GLU 46 Cb -0.10 -0.34 -0.04 0.00 -0.44 0.00 0.00 34.13 33.21 1h64 s GLU 46 CO 0.34 -0.28 1.09 1.41 0.95 0.00 0.00 175.26 178.77 1h64 s MET 47 N 1.94 4.47 -0.04 -4.83 -2.45 -0.48 -1.96 119.30 115.94 1h64 s MET 47 Ca 0.00 1.58 0.05 0.00 -1.25 0.00 0.00 55.69 56.08 1h64 s MET 47 Cb -0.12 -3.44 -0.02 0.00 1.25 0.00 0.00 34.83 32.50 1h64 s MET 47 CO -0.04 -0.21 -0.20 0.42 1.05 0.00 0.00 175.02 176.03 1h64 s ILE 48 N 1.31 2.52 -0.09 10.11 1.01 0.21 -0.50 121.20 135.76 1h64 s ILE 48 Ca 0.55 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 1h64 s ILE 48 Cb -0.24 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1h64 s ILE 48 CO 0.26 0.58 0.03 -1.58 0.00 0.00 0.00 174.94 174.24 1h64 s GLN 49 N -0.53 0.37 -1.59 2.79 0.74 0.11 -0.16 119.66 121.39 1h64 s GLN 49 Ca 0.07 0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.53 1h64 s GLN 49 Cb -0.11 -1.08 0.01 0.00 1.10 0.00 0.00 33.01 32.92 1h64 s GLN 49 CO 0.01 -0.39 0.52 -0.25 -0.55 0.00 0.00 175.29 174.62 1h64 n ASP 50 N 5.19 -6.07 0.00 6.67 10.43 -1.26 -2.38 116.55 129.13 1h64 n ASP 50 Ca -0.06 -0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.05 1h64 n ASP 50 Cb 0.50 -4.93 0.00 0.00 1.84 0.00 0.00 41.12 38.53 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1h64 n GLY 51 N -1.45 0.93 3.20 0.44 0.00 -1.26 -5.06 105.19 102.00 1h64 n GLY 51 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1h64 n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h64 s GLU 52 N -0.65 1.19 0.41 1.61 -1.05 -1.00 -5.11 118.70 114.09 1h64 s GLU 52 Ca 0.00 -0.84 -0.26 0.00 -0.15 0.00 0.00 54.97 53.72 1h64 s GLU 52 Cb 0.00 -1.25 -0.09 0.00 -0.44 0.00 0.00 34.13 32.35 1h64 s GLU 52 CO 0.00 0.32 1.34 0.08 0.95 0.00 0.00 175.26 177.95 1h64 s VAL 53 N -0.79 2.47 0.00 1.83 1.01 -1.26 -0.71 120.40 122.96 1h64 s VAL 53 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1h64 s VAL 53 Cb -0.08 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1h64 s VAL 53 CO 0.01 0.07 0.00 1.33 0.00 0.00 0.00 175.10 176.51 1h64 n VAL 54 N 0.13 0.00 -3.64 2.92 0.24 0.34 -4.87 118.33 113.45 1h64 n VAL 54 Ca 0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.23 1h64 n VAL 54 Cb 0.43 -0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.47 1.08 0.05 7.34 1.02 -1.22 -4.99 119.74 121.55 1h64 s LYS 55 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.32 1h64 s LYS 55 Cb 0.00 0.47 -0.02 0.00 -0.52 0.00 0.00 37.83 37.76 1h64 s LYS 55 CO 0.00 -0.42 -0.14 0.50 -0.92 0.00 0.00 175.35 174.37 1h64 s ARG 56 N -3.81 0.88 -0.02 1.68 6.06 -1.26 -1.39 118.95 121.10 1h64 s ARG 56 Ca 0.03 -0.83 -0.01 0.00 -2.50 0.00 0.00 55.73 52.42 1h64 s ARG 56 Cb 0.02 -0.89 0.01 0.00 0.06 0.00 0.00 34.95 34.15 1h64 s ARG 56 CO -0.12 0.21 0.04 0.71 -2.50 0.00 0.00 175.30 173.65 1h64 s TYR 57 N -1.01 -0.04 0.07 5.12 1.51 0.13 -4.97 117.35 118.15 1h64 s TYR 57 Ca 0.00 0.13 -0.18 0.00 -1.01 0.00 0.00 57.07 56.01 1h64 s TYR 57 Cb -0.09 -0.01 -0.11 0.00 -0.11 0.00 0.00 41.96 41.64 1h64 s TYR 57 CO 0.02 -0.03 1.41 0.78 -1.11 0.00 0.00 175.55 176.61 1h64 h GLY 58 N 6.26 0.52 -5.44 0.71 0.00 -1.93 0.63 103.07 103.82 1h64 h GLY 58 Ca -0.27 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.43 1h64 h GLY 58 CO 0.48 0.45 -0.32 1.25 0.00 0.00 0.00 176.54 178.40 1h64 s LYS 59 N -4.48 0.39 -0.08 4.80 2.20 -1.26 0.68 119.74 121.99 1h64 s LYS 59 Ca -0.14 0.56 -0.09 0.00 -0.36 0.00 0.00 55.97 55.95 1h64 s LYS 59 Cb 0.07 0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 1h64 s LYS 59 CO 0.77 -0.09 0.25 -1.50 -0.36 0.00 0.00 175.35 174.43 1h64 s ILE 60 N 0.57 0.01 -0.27 5.43 2.07 -0.61 -4.99 121.20 123.42 1h64 s ILE 60 Ca -0.03 -0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.04 1h64 s ILE 60 Cb -0.05 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.14 1h64 s ILE 60 CO -0.03 -0.05 0.08 -0.69 -1.91 0.00 0.00 174.94 172.34 1h64 s VAL 61 N -0.10 4.24 -0.25 4.00 1.01 -1.26 -1.16 120.40 126.88 1h64 s VAL 61 Ca -0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1h64 s VAL 61 Cb -0.03 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1h64 s VAL 61 CO 0.01 0.22 0.10 -0.63 0.00 0.00 0.00 175.10 174.80 1h64 s ILE 62 N 1.58 4.66 0.06 2.22 1.01 0.33 -4.96 121.20 126.10 1h64 s ILE 62 Ca 0.05 -0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.34 1h64 s ILE 62 Cb -0.16 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 1h64 s ILE 62 CO 0.04 0.33 1.33 -0.13 0.00 0.00 0.00 174.94 176.51 1h64 s ARG 63 N 1.47 4.34 0.52 2.79 0.52 -1.26 -1.00 118.95 126.33 1h64 s ARG 63 Ca 0.06 1.94 0.22 0.00 -0.52 0.00 0.00 55.73 57.44 1h64 s ARG 63 Cb -0.15 -3.38 1.34 0.00 0.52 0.00 0.00 34.95 33.28 1h64 s ARG 63 CO 0.05 -0.43 2.04 0.78 0.02 0.00 0.00 175.30 177.76 1h64 h GLY 64 N 7.32 0.03 1.86 -3.53 0.00 -1.76 -2.48 103.07 104.50 1h64 h GLY 64 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1h64 h GLY 64 CO 0.86 0.00 0.06 -1.80 0.00 0.00 0.00 176.54 175.67 1h64 h ASP 65 N 0.02 0.00 -0.02 0.19 3.58 -1.88 -0.33 116.42 117.98 1h64 h ASP 65 Ca 0.18 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1h64 h ASP 65 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1h64 h ASP 65 CO -0.01 0.00 -0.40 0.59 -2.88 0.00 0.00 179.24 176.55 1h64 n ASN 66 N -2.64 2.19 -4.73 2.28 3.02 -0.93 -4.97 115.26 109.47 1h64 n ASN 66 Ca -0.02 -1.60 -0.39 0.00 -0.03 0.00 0.00 54.58 52.54 1h64 n ASN 66 Cb 0.11 0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 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 -2.39 4.98 -0.14 2.41 1.01 -0.14 -3.78 120.40 122.35 1h64 s VAL 67 Ca 0.20 1.40 -0.14 0.00 0.00 0.00 0.00 61.98 63.44 1h64 s VAL 67 Cb 0.18 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 32.31 1h64 s VAL 67 CO 0.52 0.31 0.38 0.25 0.00 0.00 0.00 175.10 176.56 1h64 h LEU 68 N 6.33 0.28 -7.23 3.92 5.85 -0.96 -3.49 115.31 120.02 1h64 h LEU 68 Ca -0.42 -0.79 0.06 0.00 0.84 0.00 0.00 57.88 57.56 1h64 h LEU 68 Cb 1.20 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.02 1h64 h LEU 68 CO 0.73 1.68 0.33 0.00 -0.34 0.00 0.00 178.44 180.85 1h64 s ALA 69 N -2.48 -1.62 -0.04 1.25 0.00 -1.13 -5.02 121.76 112.73 1h64 s ALA 69 Ca -0.24 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1h64 s ALA 69 Cb 0.06 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1h64 s ALA 69 CO 0.72 -0.82 -0.03 0.42 0.00 0.00 0.00 175.76 176.04 1h64 s ILE 70 N -3.53 0.43 -0.06 0.00 1.01 -1.26 -0.53 121.20 117.26 1h64 s ILE 70 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1h64 s ILE 70 Cb -0.02 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 41.99 1h64 s ILE 70 CO -0.07 0.20 -0.13 -0.55 0.00 0.00 0.00 174.94 174.39 1h64 s SER 71 N 0.85 1.78 0.03 3.58 0.15 0.26 -4.97 113.70 115.37 1h64 s SER 71 Ca -0.11 -0.30 -0.26 0.00 0.70 0.00 0.00 55.95 55.99 1h64 s SER 71 Cb -0.13 -0.79 -0.17 0.00 -1.71 0.00 0.00 66.02 63.22 1h64 s SER 71 CO -0.00 0.05 1.38 -0.65 1.20 0.00 0.00 173.24 175.21 1h64 h PRO 72 N 6.88 -0.32 0.00 5.44 0.11 -1.87 0.21 132.00 142.45 1h64 h PRO 72 Ca -0.31 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1h64 h PRO 72 Cb 1.19 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h64 h PRO 72 CO 0.48 -0.03 0.00 2.41 -0.21 0.00 0.00 178.00 180.64