#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg1 n PHE 12 N 0.00 -1.79 -4.13 -0.32 3.72 -1.26 -5.13 117.46 108.55 1sg1 n PHE 12 Ca 0.00 -1.21 -0.25 0.00 -0.05 0.00 0.00 57.45 55.94 1sg1 n PHE 12 Cb 0.00 -0.27 -0.17 0.00 -0.94 0.00 0.00 39.48 38.10 1sg1 n PHE 12 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sg1 s SER 13 N -2.85 1.87 0.29 4.37 0.15 -1.26 -5.03 113.70 111.24 1sg1 s SER 13 Ca 0.25 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.66 1sg1 s SER 13 Cb -0.02 -0.76 0.70 0.00 -1.71 0.00 0.00 66.02 64.22 1sg1 s SER 13 CO 0.16 -0.07 1.70 0.58 1.20 0.00 0.00 173.24 176.81 1sg1 h VAL 14 N 6.12 0.49 -3.25 4.45 2.07 -1.95 -3.37 116.25 120.80 1sg1 h VAL 14 Ca -0.30 -0.14 -0.64 0.00 0.82 0.00 0.00 66.70 66.44 1sg1 h VAL 14 Cb 1.15 0.05 -0.34 0.00 -1.52 0.00 0.00 31.29 30.63 1sg1 h VAL 14 CO 0.42 0.07 -0.86 0.00 0.02 0.00 0.00 177.57 177.23 1sg1 s ASP 16 N 0.80 7.17 0.37 0.00 1.01 -1.26 -4.89 116.67 119.87 1sg1 s ASP 16 Ca -0.09 2.07 0.04 0.00 0.71 0.00 0.00 52.55 55.28 1sg1 s ASP 16 Cb -0.16 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1sg1 s ASP 16 CO 0.00 -0.34 0.16 -0.94 0.21 0.00 0.00 175.17 174.26 1sg1 s SER 17 N 0.38 2.27 -0.01 0.27 1.04 -1.26 -2.73 113.70 113.66 1sg1 s SER 17 Ca 0.53 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1sg1 s SER 17 Cb -0.30 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1sg1 s SER 17 CO 0.33 -0.93 -0.01 0.54 0.98 0.00 0.00 173.24 174.15 1sg1 s VAL 18 N -3.35 0.11 -0.03 5.02 0.11 0.22 -4.88 120.40 117.60 1sg1 s VAL 18 Ca 0.30 -0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 1sg1 s VAL 18 Cb 0.03 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1sg1 s VAL 18 CO 0.17 0.06 -0.12 -0.44 -3.33 0.00 0.00 175.10 171.44 1sg1 s SER 19 N 0.27 4.19 -0.09 3.54 0.01 -1.26 -1.21 113.70 119.15 1sg1 s SER 19 Ca -0.02 -0.19 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 1sg1 s SER 19 Cb -0.04 -0.90 0.06 0.00 0.21 0.00 0.00 66.02 65.34 1sg1 s SER 19 CO -0.01 0.33 0.60 0.54 0.41 0.00 0.00 173.24 175.11 1sg1 s VAL 20 N -0.81 0.01 -0.05 3.43 0.11 0.59 -4.99 120.40 118.68 1sg1 s VAL 20 Ca 0.13 -0.09 -0.25 0.00 -2.93 0.00 0.00 61.98 58.84 1sg1 s VAL 20 Cb -0.11 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1sg1 s VAL 20 CO 0.02 -0.05 0.78 0.26 -3.33 0.00 0.00 175.10 172.78 1sg1 s TRP 21 N -0.81 3.59 -0.14 1.54 0.52 -1.26 -0.99 118.94 121.40 1sg1 s TRP 21 Ca -0.09 1.37 0.02 0.00 0.02 0.00 0.00 56.10 57.42 1sg1 s TRP 21 Cb -0.02 -2.89 0.01 0.00 -1.15 0.00 0.00 33.47 29.42 1sg1 s TRP 21 CO 0.07 0.05 -0.20 0.08 0.02 0.00 0.00 176.95 176.96 1sg1 s VAL 22 N 0.89 1.94 -0.04 4.03 1.01 0.25 -4.96 120.40 123.52 1sg1 s VAL 22 Ca 0.41 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1sg1 s VAL 22 Cb -0.19 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.56 1sg1 s VAL 22 CO 0.21 0.53 1.02 0.61 0.00 0.00 0.00 175.10 177.46 1sg1 n GLY 23 N 4.13 1.77 0.07 4.51 0.00 -1.26 -0.37 105.19 114.04 1sg1 n GLY 23 Ca -0.20 -0.36 0.06 0.00 0.00 0.00 0.00 46.02 45.52 1sg1 n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sg1 n ASP 24 N -0.47 2.26 -4.68 1.61 4.64 -1.26 -4.73 116.55 113.92 1sg1 n ASP 24 Ca 0.05 -2.70 -0.48 0.00 -1.38 0.00 0.00 54.79 50.29 1sg1 n ASP 24 Cb 0.65 -0.28 -0.05 0.00 -1.04 0.00 0.00 41.12 40.41 1sg1 n ASP 24 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1sg1 n LYS 25 N -1.07 2.22 0.00 -0.67 4.81 -1.26 -4.89 118.16 117.29 1sg1 n LYS 25 Ca 0.10 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 1sg1 n LYS 25 Cb 0.51 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1sg1 n LYS 25 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1sg1 n THR 26 N 4.89 0.00 -3.50 3.15 -2.24 -1.26 -4.56 114.28 110.76 1sg1 n THR 26 Ca 0.22 0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.81 1sg1 n THR 26 Cb 0.30 -0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 67.50 1sg1 n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sg1 s THR 27 N -0.35 5.08 0.07 4.28 -4.23 -1.26 0.58 115.64 119.81 1sg1 s THR 27 Ca 0.00 0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.31 1sg1 s THR 27 Cb 0.00 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.24 1sg1 s THR 27 CO 0.00 -0.15 0.67 0.00 -0.54 0.00 0.00 174.62 174.60 1sg1 s ALA 28 N -1.88 -1.68 -0.16 3.99 0.00 -0.32 -4.90 121.76 116.81 1sg1 s ALA 28 Ca 0.43 0.81 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1sg1 s ALA 28 Cb -0.11 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1sg1 s ALA 28 CO 0.27 -0.64 0.09 0.99 0.00 0.00 0.00 175.76 176.47 1sg1 s THR 29 N -2.91 5.05 0.65 0.00 2.01 -1.26 -0.41 115.64 118.77 1sg1 s THR 29 Ca -0.02 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 1sg1 s THR 29 Cb -0.01 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.31 1sg1 s THR 29 CO -0.06 0.52 0.93 1.51 -0.69 0.00 0.00 174.62 176.83 1sg1 s ASP 30 N -0.18 5.01 0.31 3.53 -4.77 0.10 -0.79 116.67 119.88 1sg1 s ASP 30 Ca 0.09 0.34 0.17 0.00 -3.30 0.00 0.00 52.55 49.85 1sg1 s ASP 30 Cb -0.12 -1.09 0.94 0.00 -1.09 0.00 0.00 42.92 41.56 1sg1 s ASP 30 CO 0.01 -1.42 1.48 0.00 0.70 0.00 0.00 175.17 175.94 1sg1 n ILE 31 N -2.72 0.90 -0.06 2.11 3.06 0.09 -0.05 119.36 122.69 1sg1 n ILE 31 Ca 0.08 0.73 0.09 0.00 -2.50 0.00 0.00 62.75 61.14 1sg1 n ILE 31 Cb 0.60 -1.73 0.20 0.00 0.54 0.00 0.00 39.64 39.25 1sg1 n ILE 31 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1sg1 n LYS 32 N -2.14 2.49 -1.63 9.51 4.76 -1.26 -4.94 118.16 124.96 1sg1 n LYS 32 Ca -0.01 -2.16 -0.00 0.00 -2.87 0.00 0.00 58.31 53.26 1sg1 n LYS 32 Cb 0.15 -1.39 -0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1sg1 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sg1 n GLY 33 N 1.03 0.37 3.72 0.72 0.00 0.93 -5.04 105.19 106.93 1sg1 n GLY 33 Ca 0.16 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 1sg1 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sg1 s LYS 34 N -3.26 4.28 -0.03 1.61 2.47 -1.24 -4.77 119.74 118.80 1sg1 s LYS 34 Ca 0.00 0.22 -0.30 0.00 -1.56 0.00 0.00 55.97 54.33 1sg1 s LYS 34 Cb 0.00 -3.44 -0.04 0.00 -1.46 0.00 0.00 37.83 32.89 1sg1 s LYS 34 CO 0.00 0.18 1.24 -2.00 0.16 0.00 0.00 175.35 174.93 1sg1 s GLU 35 N 0.63 4.35 0.06 4.03 2.56 -1.26 0.03 118.70 129.09 1sg1 s GLU 35 Ca 0.20 1.74 -0.03 0.00 0.00 0.00 0.00 54.97 56.87 1sg1 s GLU 35 Cb -0.14 -3.54 -0.03 0.00 2.00 0.00 0.00 34.13 32.43 1sg1 s GLU 35 CO 0.06 -0.45 0.04 0.54 -0.56 0.00 0.00 175.26 174.89 1sg1 s VAL 36 N 2.13 0.19 -0.03 3.70 0.11 0.45 -4.94 120.40 122.01 1sg1 s VAL 36 Ca 0.58 -1.62 -0.06 0.00 -2.93 0.00 0.00 61.98 57.95 1sg1 s VAL 36 Cb -0.26 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 1sg1 s VAL 36 CO 0.24 -0.88 0.21 -0.04 -3.33 0.00 0.00 175.10 171.30 1sg1 s MET 37 N -3.91 3.51 -0.23 1.54 -1.94 -1.26 -1.17 119.30 115.84 1sg1 s MET 37 Ca 0.07 -0.16 -0.04 0.00 -1.71 0.00 0.00 55.69 53.85 1sg1 s MET 37 Cb 0.07 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.80 1sg1 s MET 37 CO -0.10 0.69 -0.04 0.08 -0.01 0.00 0.00 175.02 175.64 1sg1 s VAL 38 N -1.24 3.29 0.59 -6.03 1.01 0.20 -1.24 120.40 116.98 1sg1 s VAL 38 Ca 0.25 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1sg1 s VAL 38 Cb -0.13 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1sg1 s VAL 38 CO 0.14 0.34 1.00 0.18 0.00 0.00 0.00 175.10 176.76 1sg1 n LEU 39 N 4.77 3.83 0.19 3.92 7.99 -0.98 -4.54 117.00 132.19 1sg1 n LEU 39 Ca -0.17 0.83 -0.08 0.00 -0.01 0.00 0.00 56.01 56.58 1sg1 n LEU 39 Cb 0.50 -1.40 -0.04 0.00 -0.11 0.00 0.00 43.42 42.37 1sg1 n LEU 39 CO 0.29 -1.74 0.39 1.23 -1.51 0.00 0.00 177.39 176.05 1sg1 h GLY 40 N 0.59 -0.52 -1.51 -0.72 0.00 -1.92 -3.44 103.07 95.56 1sg1 h GLY 40 Ca -0.48 0.19 -0.61 0.00 0.00 0.00 0.00 47.33 46.43 1sg1 h GLY 40 CO 0.52 -0.19 -0.59 -0.54 0.00 0.00 0.00 176.54 175.74 1sg1 s GLU 41 N -3.65 1.94 0.01 4.80 2.02 -1.26 -2.93 118.70 119.63 1sg1 s GLU 41 Ca -0.07 -2.13 -0.11 0.00 0.02 0.00 0.00 54.97 52.68 1sg1 s GLU 41 Cb 0.01 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.79 1sg1 s GLU 41 CO 0.22 -0.14 0.23 0.14 0.02 0.00 0.00 175.26 175.74 1sg1 s VAL 42 N -2.85 0.08 0.02 2.63 -7.23 0.86 -4.93 120.40 108.99 1sg1 s VAL 42 Ca 0.30 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 59.82 1sg1 s VAL 42 Cb 0.08 -0.69 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1sg1 s VAL 42 CO 0.15 -0.37 -0.01 0.54 -0.31 0.00 0.00 175.10 175.10 1sg1 s ASN 43 N -1.65 4.99 -0.03 4.85 2.20 -1.25 0.01 114.94 124.05 1sg1 s ASN 43 Ca -0.10 -0.08 0.03 0.00 -0.94 0.00 0.00 52.86 51.77 1sg1 s ASN 43 Cb -0.04 -1.25 -0.04 0.00 -2.00 0.00 0.00 41.25 37.92 1sg1 s ASN 43 CO 0.00 0.25 0.02 -0.38 -2.94 0.00 0.00 177.10 174.06 1sg1 n ILE 44 N 1.22 0.22 -2.73 0.54 2.08 0.23 -4.83 119.36 116.09 1sg1 n ILE 44 Ca -0.14 -0.14 -0.09 0.00 0.56 0.00 0.00 62.75 62.94 1sg1 n ILE 44 Cb 0.52 -0.79 0.10 0.00 -0.75 0.00 0.00 39.64 38.72 1sg1 n ILE 44 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1sg1 n ASN 45 N -2.08 -2.20 -2.46 4.38 5.03 -1.26 -4.87 115.26 111.79 1sg1 n ASN 45 Ca -0.05 -3.40 -0.19 0.00 0.87 0.00 0.00 54.58 51.80 1sg1 n ASN 45 Cb 0.57 1.69 0.02 0.00 -1.02 0.00 0.00 39.78 41.04 1sg1 n ASN 45 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1sg1 n ASN 46 N 0.13 -5.47 -3.71 6.41 4.13 -1.26 -4.97 115.26 110.51 1sg1 n ASN 46 Ca 0.04 -0.17 -0.22 0.00 1.68 0.00 0.00 54.58 55.91 1sg1 n ASN 46 Cb 0.74 -4.38 -0.18 0.00 -1.54 0.00 0.00 39.78 34.42 1sg1 n ASN 46 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1sg1 s SER 47 N -2.56 1.48 -0.14 6.41 0.01 -1.26 -5.11 113.70 112.53 1sg1 s SER 47 Ca 0.18 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 1sg1 s SER 47 Cb -0.08 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1sg1 s SER 47 CO 0.22 -0.23 0.08 0.68 0.41 0.00 0.00 173.24 174.39 1sg1 s VAL 48 N 2.07 4.95 0.19 3.43 -7.23 -1.25 -0.60 120.40 121.97 1sg1 s VAL 48 Ca 0.05 0.01 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 1sg1 s VAL 48 Cb -0.13 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.59 1sg1 s VAL 48 CO -0.05 0.55 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.85 1sg1 s PHE 49 N -0.42 1.51 0.29 2.82 0.40 0.10 -4.91 117.98 117.76 1sg1 s PHE 49 Ca 0.10 -0.74 -0.08 0.00 -0.60 0.00 0.00 56.93 55.61 1sg1 s PHE 49 Cb -0.12 -0.79 -0.06 0.00 0.51 0.00 0.00 43.02 42.56 1sg1 s PHE 49 CO 0.02 0.14 0.59 0.21 0.70 0.00 0.00 175.22 176.89 1sg1 s LYS 50 N -3.75 3.74 -0.23 0.44 2.20 -1.26 -0.10 119.74 120.79 1sg1 s LYS 50 Ca 0.22 0.22 -0.23 0.00 -0.36 0.00 0.00 55.97 55.82 1sg1 s LYS 50 Cb 0.03 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.74 1sg1 s LYS 50 CO 0.05 0.21 0.74 -0.65 -0.36 0.00 0.00 175.35 175.34 1sg1 s GLN 51 N -3.28 4.18 0.04 4.03 -0.21 -1.15 -4.88 119.66 118.38 1sg1 s GLN 51 Ca 0.47 0.78 0.04 0.00 0.02 0.00 0.00 55.36 56.67 1sg1 s GLN 51 Cb -0.11 -3.63 -0.04 0.00 1.00 0.00 0.00 33.01 30.24 1sg1 s GLN 51 CO 0.26 -0.42 -0.03 0.71 -2.12 0.00 0.00 175.29 173.69 1sg1 s TYR 52 N 2.50 2.95 -0.02 0.91 2.02 -1.26 -4.28 117.35 120.17 1sg1 s TYR 52 Ca 0.32 -0.02 -0.00 0.00 -0.37 0.00 0.00 57.07 57.00 1sg1 s TYR 52 Cb -0.16 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.85 1sg1 s TYR 52 CO 0.09 0.43 0.04 -0.06 -1.57 0.00 0.00 175.55 174.48 1sg1 s PHE 53 N -1.13 0.02 -0.46 2.71 0.08 0.50 -4.96 117.98 114.74 1sg1 s PHE 53 Ca 0.21 0.16 -0.25 0.00 0.12 0.00 0.00 56.93 57.17 1sg1 s PHE 53 Cb -0.11 -0.25 0.03 0.00 -0.57 0.00 0.00 43.02 42.11 1sg1 s PHE 53 CO 0.12 -0.10 0.89 0.12 -0.10 0.00 0.00 175.22 176.14 1sg1 s PHE 54 N 1.19 2.94 0.01 0.36 5.36 -1.26 -0.58 117.98 126.00 1sg1 s PHE 54 Ca -0.08 0.33 0.05 0.00 -0.96 0.00 0.00 56.93 56.27 1sg1 s PHE 54 Cb -0.13 -3.89 -0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1sg1 s PHE 54 CO -0.03 -1.07 -0.13 -1.21 -1.46 0.00 0.00 175.22 171.32 1sg1 s GLU 55 N 3.63 2.32 -0.12 10.12 2.02 -0.16 -4.87 118.70 131.64 1sg1 s GLU 55 Ca 0.35 -0.84 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 1sg1 s GLU 55 Cb -0.11 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.82 1sg1 s GLU 55 CO 0.25 0.58 -0.08 0.99 0.02 0.00 0.00 175.26 177.02 1sg1 s THR 56 N -0.91 1.07 0.37 3.63 2.01 -0.70 -0.30 115.64 120.80 1sg1 s THR 56 Ca 0.15 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1sg1 s THR 56 Cb -0.11 -1.09 -0.07 0.00 0.01 0.00 0.00 72.50 71.24 1sg1 s THR 56 CO 0.05 0.35 0.04 -0.54 -0.69 0.00 0.00 174.62 173.83 1sg1 s LYS 57 N 1.69 1.80 0.51 4.92 1.02 -0.35 -2.16 119.74 127.17 1sg1 s LYS 57 Ca 0.05 -2.01 -0.04 0.00 0.02 0.00 0.00 55.97 53.99 1sg1 s LYS 57 Cb -0.13 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 35.97 1sg1 s LYS 57 CO -0.08 -0.14 0.79 0.00 -0.92 0.00 0.00 175.35 175.00 1sg1 n ARG 59 N -2.32 3.39 -0.25 0.00 1.74 -1.11 -4.77 116.66 113.33 1sg1 n ARG 59 Ca 0.02 -2.70 0.00 0.00 -0.77 0.00 0.00 57.85 54.40 1sg1 n ARG 59 Cb 0.57 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1sg1 n ARG 59 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1sg1 n ASP 60 N 0.52 -1.54 0.00 0.55 10.43 -1.26 -5.12 116.55 120.13 1sg1 n ASP 60 Ca 0.21 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.57 1sg1 n ASP 60 Cb 0.80 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.52 1sg1 n ASP 60 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1sg1 n GLY 67 N 0.55 0.97 3.92 0.44 0.00 0.85 -4.68 105.19 107.25 1sg1 n GLY 67 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1sg1 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg1 s ARG 69 N -4.59 3.98 0.00 0.00 3.52 0.85 -4.35 118.95 118.36 1sg1 s ARG 69 Ca 0.45 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 1sg1 s ARG 69 Cb -0.10 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1sg1 s ARG 69 CO 0.41 0.58 0.00 0.41 -0.81 0.00 0.00 175.30 175.90 1sg1 n GLY 70 N 1.30 0.33 3.79 8.12 0.00 -1.26 -4.67 105.19 112.79 1sg1 n GLY 70 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1sg1 n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1sg1 s ILE 71 N -1.69 3.70 -1.27 -0.61 1.10 -1.26 -4.94 121.20 116.23 1sg1 s ILE 71 Ca 0.00 1.13 -0.18 0.00 -0.51 0.00 0.00 60.65 61.09 1sg1 s ILE 71 Cb 0.00 -3.50 0.07 0.00 0.15 0.00 0.00 42.46 39.18 1sg1 s ILE 71 CO 0.00 -0.15 1.70 -0.62 -2.11 0.00 0.00 174.94 173.76 1sg1 s ASP 72 N -1.82 6.81 0.28 4.50 2.15 -1.26 -4.85 116.67 122.48 1sg1 s ASP 72 Ca 0.65 -2.35 0.02 0.00 0.43 0.00 0.00 52.55 51.30 1sg1 s ASP 72 Cb -0.19 -2.58 0.69 0.00 -0.30 0.00 0.00 42.92 40.54 1sg1 s ASP 72 CO 0.23 -1.20 1.66 -1.28 -0.17 0.00 0.00 175.17 174.41 1sg1 h SER 73 N 7.81 0.07 -0.98 -0.34 0.87 -1.92 -1.63 113.55 117.42 1sg1 h SER 73 Ca 0.42 0.18 0.31 0.00 -1.23 0.00 0.00 61.79 61.47 1sg1 h SER 73 Cb 0.89 0.23 -0.15 0.00 -0.44 0.00 0.00 62.40 62.93 1sg1 h SER 73 CO 1.45 -0.11 0.50 0.50 -0.53 0.00 0.00 176.83 178.64 1sg1 h LYS 74 N 0.25 0.28 0.00 2.24 3.64 -2.04 -2.95 116.57 117.99 1sg1 h LYS 74 Ca 0.54 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.71 1sg1 h LYS 74 Cb 1.06 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1sg1 h LYS 74 CO -0.61 0.18 -1.98 0.72 -2.27 0.00 0.00 179.45 175.48 1sg1 n HIS 75 N -5.10 0.00 -4.20 1.91 8.25 -0.68 -4.89 115.22 110.51 1sg1 n HIS 75 Ca 0.30 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.56 1sg1 n HIS 75 Cb 0.94 -0.65 -0.12 0.00 1.12 0.00 0.00 29.99 31.28 1sg1 n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sg1 s TRP 76 N -2.66 1.35 0.06 4.41 0.52 -0.81 -0.46 118.94 121.33 1sg1 s TRP 76 Ca -0.07 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 55.56 1sg1 s TRP 76 Cb 0.07 -0.75 -0.05 0.00 -1.15 0.00 0.00 33.47 31.59 1sg1 s TRP 76 CO 0.67 0.09 0.26 -0.80 0.02 0.00 0.00 176.95 177.19 1sg1 s ASN 77 N -1.80 6.42 0.04 2.95 0.01 0.15 -4.37 114.94 118.34 1sg1 s ASN 77 Ca 0.00 0.43 -0.15 0.00 -0.71 0.00 0.00 52.86 52.42 1sg1 s ASN 77 Cb -0.10 -2.03 0.03 0.00 0.41 0.00 0.00 41.25 39.56 1sg1 s ASN 77 CO 0.03 0.18 0.34 -0.94 -1.51 0.00 0.00 177.10 175.20 1sg1 s SER 78 N -2.21 -0.19 0.08 -1.22 1.04 -1.26 -1.07 113.70 108.88 1sg1 s SER 78 Ca 0.33 -0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.51 1sg1 s SER 78 Cb -0.13 0.37 0.03 0.00 0.10 0.00 0.00 66.02 66.40 1sg1 s SER 78 CO 0.23 -0.61 0.38 -0.72 0.98 0.00 0.00 173.24 173.50 1sg1 s TYR 79 N -2.37 -0.20 0.02 5.02 1.13 -1.06 -0.10 117.35 119.78 1sg1 s TYR 79 Ca -0.06 0.00 -0.08 0.00 -1.41 0.00 0.00 57.07 55.52 1sg1 s TYR 79 Cb -0.01 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 1sg1 s TYR 79 CO -0.02 -0.62 0.31 0.00 -2.51 0.00 0.00 175.55 172.70 1sg1 s THR 81 N -1.28 0.31 -0.24 0.00 2.01 0.63 -4.95 115.64 112.13 1sg1 s THR 81 Ca 0.28 -1.58 -0.11 0.00 0.31 0.00 0.00 61.69 60.58 1sg1 s THR 81 Cb -0.14 -1.21 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1sg1 s THR 81 CO 0.15 -0.82 0.20 -0.89 -0.69 0.00 0.00 174.62 172.57 1sg1 s THR 82 N -3.13 5.33 0.45 -0.82 2.01 -1.26 -0.33 115.64 117.89 1sg1 s THR 82 Ca 0.02 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.30 1sg1 s THR 82 Cb 0.02 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1sg1 s THR 82 CO -0.06 0.32 0.64 0.42 -0.69 0.00 0.00 174.62 175.25 1sg1 s THR 83 N 1.15 3.35 0.21 -0.82 -4.23 0.58 -4.98 115.64 110.91 1sg1 s THR 83 Ca 0.09 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1sg1 s THR 83 Cb -0.14 -3.20 -0.05 0.00 1.34 0.00 0.00 72.50 70.45 1sg1 s THR 83 CO 0.05 -0.11 0.02 -1.00 -0.54 0.00 0.00 174.62 173.04 1sg1 s HIS 84 N -2.49 1.42 0.26 3.99 3.76 -1.26 -0.56 115.29 120.41 1sg1 s HIS 84 Ca 0.52 -1.01 0.04 0.00 -0.15 0.00 0.00 55.06 54.46 1sg1 s HIS 84 Cb -0.10 -0.82 -0.02 0.00 1.11 0.00 0.00 32.58 32.75 1sg1 s HIS 84 CO 0.35 -0.17 0.15 -2.37 -0.85 0.00 0.00 174.74 171.85 1sg1 n THR 85 N -0.36 0.00 -4.42 1.30 5.66 -0.02 -4.77 114.28 111.66 1sg1 n THR 85 Ca -0.05 -1.69 -0.21 0.00 -3.05 0.00 0.00 64.05 59.06 1sg1 n THR 85 Cb 0.64 0.72 -0.16 0.00 -1.55 0.00 0.00 70.33 69.98 1sg1 n THR 85 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1sg1 s PHE 86 N -2.77 1.03 0.03 1.09 0.08 -1.26 -1.41 117.98 114.76 1sg1 s PHE 86 Ca 0.21 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 57.02 1sg1 s PHE 86 Cb 0.01 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1sg1 s PHE 86 CO 0.15 -0.12 -0.10 0.08 -0.10 0.00 0.00 175.22 175.12 1sg1 s VAL 87 N 0.26 0.77 -0.04 -0.44 1.01 -0.44 -4.90 120.40 116.61 1sg1 s VAL 87 Ca -0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 1sg1 s VAL 87 Cb -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1sg1 s VAL 87 CO 0.01 -0.10 0.83 -0.75 0.00 0.00 0.00 175.10 175.08 1sg1 s LYS 88 N -1.08 4.49 0.07 2.72 2.20 -1.26 0.35 119.74 127.24 1sg1 s LYS 88 Ca -0.02 1.13 -0.05 0.00 -0.36 0.00 0.00 55.97 56.66 1sg1 s LYS 88 Cb -0.07 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1sg1 s LYS 88 CO 0.01 -0.00 0.09 0.00 -0.36 0.00 0.00 175.35 175.09 1sg1 s ALA 89 N 0.95 0.07 -0.33 3.13 0.00 -0.12 -4.95 121.76 120.51 1sg1 s ALA 89 Ca 0.44 -0.83 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 1sg1 s ALA 89 Cb -0.19 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1sg1 s ALA 89 CO 0.22 -0.43 0.89 -1.17 0.00 0.00 0.00 175.76 175.27 1sg1 s LEU 90 N -2.78 4.04 0.03 0.00 2.96 -1.26 -1.93 118.68 119.74 1sg1 s LEU 90 Ca 0.04 0.69 0.06 0.00 -0.22 0.00 0.00 54.13 54.70 1sg1 s LEU 90 Cb 0.05 -3.22 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1sg1 s LEU 90 CO -0.10 -0.75 -0.13 0.42 -1.32 0.00 0.00 176.35 174.48 1sg1 s THR 91 N 3.25 3.19 -0.98 3.68 -4.23 0.31 -2.32 115.64 118.56 1sg1 s THR 91 Ca 0.37 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1sg1 s THR 91 Cb -0.13 -2.38 0.31 0.00 1.34 0.00 0.00 72.50 71.64 1sg1 s THR 91 CO 0.15 0.34 1.49 0.80 -0.54 0.00 0.00 174.62 176.85 1sg1 n MET 92 N 1.46 4.52 -1.50 3.99 1.56 -0.37 0.32 117.12 127.10 1sg1 n MET 92 Ca -0.15 -4.63 -0.15 0.00 -0.27 0.00 0.00 57.70 52.49 1sg1 n MET 92 Cb 0.52 -2.45 -0.12 0.00 2.15 0.00 0.00 33.22 33.32 1sg1 n MET 92 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1sg1 n ASP 93 N 0.67 0.37 0.00 6.12 2.03 -0.71 -4.44 116.55 120.58 1sg1 n ASP 93 Ca 0.34 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1sg1 n ASP 93 Cb 0.32 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1sg1 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sg1 n GLY 94 N 6.13 0.28 0.00 0.27 0.00 -1.26 -3.57 105.19 107.03 1sg1 n GLY 94 Ca 0.50 0.61 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1sg1 n GLY 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sg1 n LYS 95 N 0.00 0.00 -2.61 1.61 5.02 -1.26 -4.94 118.16 115.98 1sg1 n LYS 95 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1sg1 n LYS 95 Cb 0.00 -0.56 0.03 0.00 -0.02 0.00 0.00 35.03 34.48 1sg1 n LYS 95 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1sg1 s GLN 96 N -0.31 2.92 -0.05 1.97 1.11 -1.23 -5.01 119.66 119.05 1sg1 s GLN 96 Ca 0.00 -0.24 -0.13 0.00 0.01 0.00 0.00 55.36 55.00 1sg1 s GLN 96 Cb 0.00 -2.38 -0.05 0.00 -1.01 0.00 0.00 33.01 29.56 1sg1 s GLN 96 CO 0.00 -0.57 0.33 0.00 0.01 0.00 0.00 175.29 175.07 1sg1 s ALA 97 N -2.83 3.73 0.06 6.09 0.00 -1.26 -1.74 121.76 125.81 1sg1 s ALA 97 Ca 0.52 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 1sg1 s ALA 97 Cb -0.10 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 1sg1 s ALA 97 CO 0.42 0.46 0.03 0.00 0.00 0.00 0.00 175.76 176.68 1sg1 s ALA 98 N -0.87 0.27 -0.21 0.00 0.00 0.94 -4.93 121.76 116.96 1sg1 s ALA 98 Ca 0.21 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 1sg1 s ALA 98 Cb -0.15 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1sg1 s ALA 98 CO 0.10 -0.39 0.49 -1.58 0.00 0.00 0.00 175.76 174.38 1sg1 s TRP 99 N -3.67 3.36 0.19 0.00 0.52 -1.26 0.11 118.94 118.20 1sg1 s TRP 99 Ca 0.04 0.72 -0.01 0.00 0.02 0.00 0.00 56.10 56.88 1sg1 s TRP 99 Cb 0.06 -2.64 -0.04 0.00 -1.15 0.00 0.00 33.47 29.69 1sg1 s TRP 99 CO -0.09 -0.10 0.10 1.03 0.02 0.00 0.00 176.95 177.91 1sg1 s ARG 100 N 1.62 1.15 -0.37 4.98 0.52 -0.81 -4.95 118.95 121.08 1sg1 s ARG 100 Ca 0.23 -1.59 -0.14 0.00 -0.52 0.00 0.00 55.73 53.70 1sg1 s ARG 100 Cb -0.15 0.15 0.00 0.00 0.52 0.00 0.00 34.95 35.47 1sg1 s ARG 100 CO 0.09 -0.33 0.30 -0.06 0.02 0.00 0.00 175.30 175.33 1sg1 s PHE 101 N -4.04 3.22 0.10 -0.53 0.08 -1.26 -0.94 117.98 114.61 1sg1 s PHE 101 Ca 0.34 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1sg1 s PHE 101 Cb 0.07 -2.60 -0.04 0.00 -0.57 0.00 0.00 43.02 39.89 1sg1 s PHE 101 CO 0.09 -0.49 0.22 0.96 -0.10 0.00 0.00 175.22 175.90 1sg1 s ILE 102 N 1.81 5.25 -0.01 0.64 -4.36 0.16 -0.73 121.20 123.95 1sg1 s ILE 102 Ca 0.07 -0.55 -0.27 0.00 -0.26 0.00 0.00 60.65 59.64 1sg1 s ILE 102 Cb -0.18 -3.61 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1sg1 s ILE 102 CO 0.11 0.05 0.86 -0.60 0.24 0.00 0.00 174.94 175.60 1sg1 s ARG 103 N -2.76 4.52 -0.02 0.37 3.52 0.03 -1.33 118.95 123.28 1sg1 s ARG 103 Ca 0.34 1.20 0.01 0.00 -0.13 0.00 0.00 55.73 57.16 1sg1 s ARG 103 Cb -0.12 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1sg1 s ARG 103 CO 0.27 0.04 -0.03 0.96 -0.81 0.00 0.00 175.30 175.74 1sg1 s ILE 104 N 0.75 0.32 0.27 4.11 -4.36 -0.50 -4.58 121.20 117.21 1sg1 s ILE 104 Ca 0.45 -0.06 -0.30 0.00 -0.26 0.00 0.00 60.65 60.48 1sg1 s ILE 104 Cb -0.20 -0.35 -0.12 0.00 1.25 0.00 0.00 42.46 43.04 1sg1 s ILE 104 CO 0.24 0.15 1.53 0.47 0.24 0.00 0.00 174.94 177.57 1sg1 n ASP 105 N 3.71 3.45 0.00 4.36 9.92 -1.26 -0.84 116.55 135.89 1sg1 n ASP 105 Ca -0.22 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.19 1sg1 n ASP 105 Cb 0.53 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 1sg1 n ASP 105 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1sg1 n THR 106 N 2.05 0.00 -3.62 -3.53 5.66 0.28 -1.73 114.28 113.39 1sg1 n THR 106 Ca 0.10 -0.29 -0.02 0.00 -3.05 0.00 0.00 64.05 60.78 1sg1 n THR 106 Cb 0.35 1.03 -0.01 0.00 -1.55 0.00 0.00 70.33 70.15 1sg1 n THR 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sg1 s ALA 107 N -0.53 -2.04 -0.14 1.79 0.00 -0.92 -4.36 121.76 115.56 1sg1 s ALA 107 Ca 0.00 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1sg1 s ALA 107 Cb 0.00 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1sg1 s ALA 107 CO 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 175.76 174.71 1sg1 s VAL 109 N 1.10 1.22 -0.09 0.00 -7.23 0.55 -4.67 120.40 111.28 1sg1 s VAL 109 Ca -0.02 -2.08 -0.11 0.00 -1.81 0.00 0.00 61.98 57.96 1sg1 s VAL 109 Cb -0.14 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 1sg1 s VAL 109 CO -0.05 -0.68 0.27 0.00 -0.31 0.00 0.00 175.10 174.32 1sg1 s VAL 111 N -0.62 2.94 0.15 0.00 1.01 -0.54 -4.99 120.40 118.35 1sg1 s VAL 111 Ca 0.18 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1sg1 s VAL 111 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1sg1 s VAL 111 CO 0.07 0.53 0.19 -0.76 0.00 0.00 0.00 175.10 175.12 1sg1 s LEU 112 N 0.39 4.01 -0.12 3.92 2.01 -1.26 -2.55 118.68 125.07 1sg1 s LEU 112 Ca -0.11 -0.00 -0.04 0.00 0.01 0.00 0.00 54.13 53.99 1sg1 s LEU 112 Cb -0.16 -2.61 0.06 0.00 0.01 0.00 0.00 46.19 43.49 1sg1 s LEU 112 CO 0.06 0.07 0.14 -0.55 1.01 0.00 0.00 176.35 177.08 1sg1 s SER 113 N -3.07 1.28 0.07 2.29 0.15 -0.23 -4.97 113.70 109.22 1sg1 s SER 113 Ca 0.32 -0.02 -0.31 0.00 0.70 0.00 0.00 55.95 56.64 1sg1 s SER 113 Cb -0.11 0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.25 1sg1 s SER 113 CO 0.25 -0.29 1.53 -0.60 1.20 0.00 0.00 173.24 175.34 1sg1 s ARG 114 N 2.25 4.24 0.00 5.44 3.52 -1.26 0.31 118.95 133.45 1sg1 s ARG 114 Ca 0.04 2.19 0.22 0.00 -0.13 0.00 0.00 55.73 58.06 1sg1 s ARG 114 Cb -0.14 -3.48 1.33 0.00 -1.56 0.00 0.00 34.95 31.11 1sg1 s ARG 114 CO -0.07 -0.63 1.71 1.17 -0.81 0.00 0.00 175.30 176.67