#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y69 s ARG 7 N 0.00 1.74 0.75 1.64 0.52 -1.26 -4.85 118.95 117.49 1y69 s ARG 7 Ca 0.00 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 53.71 1y69 s ARG 7 Cb 0.00 -1.98 0.08 0.00 0.52 0.00 0.00 34.95 33.57 1y69 s ARG 7 CO 0.00 0.42 1.07 -0.08 0.02 0.00 0.00 175.30 176.73 1y69 s THR 8 N -1.66 2.19 -0.17 0.02 -1.32 -1.26 -5.05 115.64 108.38 1y69 s THR 8 Ca 0.22 -0.21 -0.09 0.00 -1.21 0.00 0.00 61.69 60.40 1y69 s THR 8 Cb -0.08 -2.98 -0.07 0.00 -1.51 0.00 0.00 72.50 67.85 1y69 s THR 8 CO 0.12 0.00 -0.23 0.29 -2.21 0.00 0.00 174.62 172.59 1y69 n LYS 9 N -3.07 0.38 -3.65 7.08 5.02 -1.26 -5.02 118.16 117.64 1y69 n LYS 9 Ca 0.09 0.17 -0.09 0.00 -2.02 0.00 0.00 58.31 56.45 1y69 n LYS 9 Cb 0.60 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.38 1y69 n LYS 9 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1y69 s PHE 10 N -2.35 -0.73 0.12 2.13 5.36 -1.26 -5.16 117.98 116.09 1y69 s PHE 10 Ca -0.25 1.40 0.02 0.00 -0.96 0.00 0.00 56.93 57.15 1y69 s PHE 10 Cb 0.09 0.23 -0.01 0.00 -0.34 0.00 0.00 43.02 42.99 1y69 s PHE 10 CO 0.31 -0.47 0.08 0.54 -1.46 0.00 0.00 175.22 174.23 1y69 n ARG 11 N 5.38 0.31 0.00 10.12 5.12 -1.26 -5.18 116.66 131.15 1y69 n ARG 11 Ca -0.08 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 1y69 n ARG 11 Cb 0.49 0.83 0.00 0.00 -1.16 0.00 0.00 32.46 32.62 1y69 n ARG 11 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1y69 n LYS 12 N -0.23 2.87 0.00 5.56 2.85 -1.26 -5.08 118.16 122.87 1y69 n LYS 12 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1y69 n LYS 12 Cb 0.20 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 1y69 n LYS 12 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1y69 n GLN 13 N 0.00 0.00 -4.64 -1.58 1.13 -1.26 -5.05 117.38 105.97 1y69 n GLN 13 Ca 0.00 0.08 -0.31 0.00 -1.94 0.00 0.00 57.00 54.83 1y69 n GLN 13 Cb 0.00 -0.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.81 1y69 n GLN 13 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1y69 s PHE 14 N -0.25 2.05 0.00 1.08 0.08 -1.26 -4.92 117.98 114.76 1y69 s PHE 14 Ca 0.00 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.19 1y69 s PHE 14 Cb 0.00 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 1y69 s PHE 14 CO 0.00 0.24 0.00 0.54 -0.10 0.00 0.00 175.22 175.90 1y69 n ARG 15 N -1.22 0.67 -3.36 0.44 5.12 -1.25 -5.02 116.66 112.04 1y69 n ARG 15 Ca -0.14 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.64 1y69 n ARG 15 Cb 0.67 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.93 1y69 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y69 n GLY 16 N 0.83 3.62 3.24 -0.13 0.00 -1.26 -5.06 105.19 106.43 1y69 n GLY 16 Ca 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 1y69 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y69 s ARG 17 N -2.88 0.39 -0.24 1.61 1.70 -1.26 -4.94 118.95 113.32 1y69 s ARG 17 Ca 0.12 0.62 -0.27 0.00 -0.47 0.00 0.00 55.73 55.73 1y69 s ARG 17 Cb 0.01 0.08 0.13 0.00 -0.57 0.00 0.00 34.95 34.59 1y69 s ARG 17 CO 0.08 -0.11 1.03 1.41 -1.08 0.00 0.00 175.30 176.63 1y69 s MET 18 N 0.79 0.53 -0.44 3.89 1.75 -1.26 -5.13 119.30 119.42 1y69 s MET 18 Ca -0.05 0.44 -0.18 0.00 -1.25 0.00 0.00 55.69 54.65 1y69 s MET 18 Cb -0.06 0.25 0.03 0.00 2.84 0.00 0.00 34.83 37.90 1y69 s MET 18 CO -0.06 -0.10 0.47 0.99 -0.65 0.00 0.00 175.02 175.67 1y69 s THR 19 N -0.22 5.06 0.39 10.11 2.01 -1.26 -5.02 115.64 126.71 1y69 s THR 19 Ca 0.02 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.67 1y69 s THR 19 Cb -0.03 -4.09 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1y69 s THR 19 CO -0.04 -0.49 0.02 -0.83 -0.69 0.00 0.00 174.62 172.59 1y69 s GLY 20 N 1.99 2.43 0.95 4.40 0.00 -1.26 -5.14 107.32 110.69 1y69 s GLY 20 Ca 0.12 -2.16 -0.11 0.00 0.00 0.00 0.00 44.72 42.57 1y69 s GLY 20 CO 0.13 -2.03 1.09 0.51 0.00 0.00 0.00 173.10 172.80 1y69 s ASP 21 N -3.66 2.90 0.19 1.64 -4.77 -1.26 -4.80 116.67 106.90 1y69 s ASP 21 Ca 0.34 1.65 -0.24 0.00 -3.30 0.00 0.00 52.55 51.00 1y69 s ASP 21 Cb 0.09 -2.30 -0.08 0.00 -1.09 0.00 0.00 42.92 39.55 1y69 s ASP 21 CO 0.17 -3.03 0.78 0.00 0.70 0.00 0.00 175.17 173.79 1y69 s ALA 22 N -2.78 3.42 -1.64 2.11 0.00 -1.26 -4.96 121.76 116.66 1y69 s ALA 22 Ca 0.65 0.34 0.14 0.00 0.00 0.00 0.00 51.96 53.08 1y69 s ALA 22 Cb -0.20 -2.95 0.09 0.00 0.00 0.00 0.00 23.12 20.06 1y69 s ALA 22 CO 0.59 0.29 0.91 0.36 0.00 0.00 0.00 175.76 177.90 1y69 n LYS 23 N 1.35 1.04 -3.75 0.00 2.85 -1.26 -4.79 118.16 113.60 1y69 n LYS 23 Ca -0.04 -1.23 -0.29 0.00 -1.05 0.00 0.00 58.31 55.70 1y69 n LYS 23 Cb 0.49 -1.25 -0.12 0.00 -0.65 0.00 0.00 35.03 33.50 1y69 n LYS 23 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1y69 s GLY 24 N -1.21 2.13 -0.10 2.58 0.00 -1.26 -4.97 107.32 104.48 1y69 s GLY 24 Ca 0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 44.72 41.74 1y69 s GLY 24 CO 0.19 1.42 3.02 0.61 0.00 0.00 0.00 173.10 178.34 1y69 n GLY 25 N 2.81 3.21 3.79 0.20 0.00 -1.26 -4.28 105.19 109.66 1y69 n GLY 25 Ca 0.16 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 1y69 n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y69 s ASP 26 N 1.58 6.47 -0.24 1.61 -1.08 -1.26 -5.00 116.67 118.75 1y69 s ASP 26 Ca 0.49 0.55 -0.14 0.00 -0.52 0.00 0.00 52.55 52.93 1y69 s ASP 26 Cb 0.26 -2.16 -0.10 0.00 -1.46 0.00 0.00 42.92 39.46 1y69 s ASP 26 CO -0.04 0.23 -0.34 -1.22 0.52 0.00 0.00 175.17 174.33 1y69 n TYR 27 N 2.81 0.00 -3.85 -5.34 4.02 -1.26 -4.24 117.16 109.30 1y69 n TYR 27 Ca -0.15 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.39 1y69 n TYR 27 Cb 0.53 -0.83 -0.09 0.00 -0.02 0.00 0.00 39.34 38.93 1y69 n TYR 27 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1y69 s VAL 28 N -2.58 5.12 -0.22 -0.72 0.11 -1.26 -4.62 120.40 116.22 1y69 s VAL 28 Ca -0.35 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.75 1y69 s VAL 28 Cb 0.12 -3.33 0.12 0.00 -1.53 0.00 0.00 36.38 31.76 1y69 s VAL 28 CO 0.45 0.45 0.36 0.00 -3.33 0.00 0.00 175.10 173.03 1y69 s ALA 29 N 0.39 -0.99 -1.05 1.54 0.00 -1.26 -4.95 121.76 115.43 1y69 s ALA 29 Ca 0.06 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.85 1y69 s ALA 29 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1y69 s ALA 29 CO -0.01 -1.13 0.85 1.19 0.00 0.00 0.00 175.76 176.65 1y69 n PHE 30 N 5.36 -2.28 0.00 0.00 3.72 -1.26 -4.86 117.46 118.14 1y69 n PHE 30 Ca -0.05 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.07 1y69 n PHE 30 Cb 0.50 -3.81 0.00 0.00 -0.94 0.00 0.00 39.48 35.22 1y69 n PHE 30 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y69 n GLY 31 N -1.47 -0.24 1.16 1.37 0.00 -1.26 -4.76 105.19 99.99 1y69 n GLY 31 Ca -0.08 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1y69 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y69 n ASP 32 N 0.00 0.52 -4.64 1.61 9.92 -1.14 -5.01 116.55 117.81 1y69 n ASP 32 Ca 0.00 0.11 -0.27 0.00 -0.53 0.00 0.00 54.79 54.09 1y69 n ASP 32 Cb 0.00 -0.13 0.11 0.00 -0.64 0.00 0.00 41.12 40.46 1y69 n ASP 32 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1y69 s TYR 33 N -1.55 2.31 0.00 1.24 2.02 -1.25 -4.59 117.35 115.52 1y69 s TYR 33 Ca 0.00 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1y69 s TYR 33 Cb 0.00 -3.49 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 1y69 s TYR 33 CO 0.00 -1.89 0.00 0.41 -1.57 0.00 0.00 175.55 172.50 1y69 n GLY 34 N -3.22 3.71 3.14 0.71 0.00 -1.26 -4.13 105.19 104.13 1y69 n GLY 34 Ca 0.11 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 1y69 n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y69 s LEU 35 N 0.00 -1.05 -0.05 0.99 2.96 -0.24 -4.15 118.68 117.14 1y69 s LEU 35 Ca 0.00 0.75 0.06 0.00 -0.22 0.00 0.00 54.13 54.72 1y69 s LEU 35 Cb 0.00 1.76 -0.02 0.00 0.50 0.00 0.00 46.19 48.44 1y69 s LEU 35 CO 0.00 -0.27 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.91 1y69 s ILE 36 N 2.74 2.29 0.65 6.68 1.01 -0.90 -1.70 121.20 131.96 1y69 s ILE 36 Ca 0.13 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 1y69 s ILE 36 Cb -0.15 -1.84 0.16 0.00 0.01 0.00 0.00 42.46 40.64 1y69 s ILE 36 CO -0.18 0.57 0.72 0.00 0.00 0.00 0.00 174.94 176.05 1y69 n ALA 37 N 2.71 -1.43 0.00 9.38 0.00 -1.26 -0.66 120.51 129.24 1y69 n ALA 37 Ca -0.17 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1y69 n ALA 37 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1y69 n ALA 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y69 n MET 38 N -3.05 0.59 -4.31 0.00 2.81 -0.62 -4.47 117.12 108.08 1y69 n MET 38 Ca 0.09 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.80 1y69 n MET 38 Cb 0.35 -0.82 -0.14 0.00 -0.71 0.00 0.00 33.22 31.90 1y69 n MET 38 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1y69 s GLU 39 N -1.64 0.76 0.34 0.03 2.02 -1.26 -4.76 118.70 114.18 1y69 s GLU 39 Ca 0.00 -0.52 -0.27 0.00 0.02 0.00 0.00 54.97 54.20 1y69 s GLU 39 Cb 0.00 -0.71 -0.13 0.00 0.10 0.00 0.00 34.13 33.39 1y69 s GLU 39 CO 0.00 0.18 1.04 -2.30 0.02 0.00 0.00 175.26 174.21 1y69 n PRO 40 N 2.36 1.47 -3.57 0.39 -0.02 -1.26 -4.80 135.00 129.56 1y69 n PRO 40 Ca -0.16 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.73 1y69 n PRO 40 Cb 0.56 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1y69 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y69 s ALA 41 N -1.14 -1.39 -0.49 3.55 0.00 -1.26 -4.93 121.76 116.10 1y69 s ALA 41 Ca 0.59 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 1y69 s ALA 41 Cb -0.64 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.42 1y69 s ALA 41 CO 0.60 -0.83 0.49 -1.58 0.00 0.00 0.00 175.76 174.43 1y69 s TRP 42 N -3.81 3.17 -0.54 0.00 0.52 -1.26 -3.83 118.94 113.19 1y69 s TRP 42 Ca 0.04 -0.83 -0.24 0.00 0.02 0.00 0.00 56.10 55.10 1y69 s TRP 42 Cb -0.02 -3.36 0.04 0.00 -1.15 0.00 0.00 33.47 28.98 1y69 s TRP 42 CO -0.07 -0.91 0.93 0.42 0.02 0.00 0.00 176.95 177.34 1y69 s ILE 43 N 2.00 4.42 0.42 2.03 -1.09 -1.25 -4.94 121.20 122.77 1y69 s ILE 43 Ca 0.08 0.32 -0.23 0.00 -2.23 0.00 0.00 60.65 58.58 1y69 s ILE 43 Cb -0.23 -4.52 -0.09 0.00 -1.58 0.00 0.00 42.46 36.04 1y69 s ILE 43 CO 0.08 -1.07 1.03 -0.54 -1.23 0.00 0.00 174.94 173.21 1y69 s LYS 44 N 3.88 4.12 0.43 2.79 3.01 -1.26 -2.83 119.74 129.88 1y69 s LYS 44 Ca 0.31 1.43 0.29 0.00 -1.01 0.00 0.00 55.97 56.99 1y69 s LYS 44 Cb -0.12 -2.43 1.49 0.00 -1.01 0.00 0.00 37.83 35.76 1y69 s LYS 44 CO 0.20 -0.16 1.89 0.66 0.51 0.00 0.00 175.35 178.45 1y69 h SER 45 N 2.29 0.00 -0.09 2.83 4.64 -0.96 -1.29 113.55 120.98 1y69 h SER 45 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1y69 h SER 45 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1y69 h SER 45 CO 0.62 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.17 1y69 n ASN 46 N -2.56 0.87 -0.02 4.97 3.02 -1.26 -3.43 115.26 116.84 1y69 n ASN 46 Ca -0.01 -2.04 -0.03 0.00 -0.03 0.00 0.00 54.58 52.47 1y69 n ASN 46 Cb 0.11 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1y69 n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1y69 n GLN 47 N -0.12 1.97 0.03 3.52 6.02 -0.48 -4.23 117.38 124.08 1y69 n GLN 47 Ca 0.03 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.92 1y69 n GLN 47 Cb 0.18 -1.11 -0.06 0.00 1.02 0.00 0.00 30.24 30.27 1y69 n GLN 47 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1y69 h ILE 48 N 0.00 0.98 0.00 5.09 5.03 -1.66 -0.39 117.51 126.56 1y69 h ILE 48 Ca -0.12 -0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.52 1y69 h ILE 48 Cb 1.23 0.97 -0.01 0.00 -3.03 0.00 0.00 36.82 35.97 1y69 h ILE 48 CO -0.00 0.00 -0.48 -0.33 -0.68 0.00 0.00 178.15 176.66 1y69 h GLU 49 N 0.01 0.00 -0.39 2.37 4.39 -1.85 -1.71 114.58 117.39 1y69 h GLU 49 Ca 0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1y69 h GLU 49 Cb 0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1y69 h GLU 49 CO -0.03 0.48 -0.04 0.00 -1.16 0.00 0.00 179.01 178.26 1y69 h ALA 50 N 1.52 0.53 0.00 3.43 0.00 -1.62 -2.91 119.26 120.21 1y69 h ALA 50 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1y69 h ALA 50 Cb 1.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1y69 h ALA 50 CO 0.06 0.35 -0.38 0.00 0.00 0.00 0.00 179.25 179.29 1y69 h ARG 52 N 0.00 -0.01 0.00 0.00 2.43 -1.10 -2.11 114.38 113.59 1y69 h ARG 52 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1y69 h ARG 52 Cb 0.72 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1y69 h ARG 52 CO 0.00 0.09 -0.11 -0.84 -1.51 0.00 0.00 179.97 177.60 1y69 h ILE 53 N -0.10 0.39 -0.25 1.20 3.07 -1.68 -2.58 117.51 117.56 1y69 h ILE 53 Ca -0.00 -0.60 -0.19 0.00 1.55 0.00 0.00 64.86 65.63 1y69 h ILE 53 Cb 0.10 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.08 1y69 h ILE 53 CO 0.00 0.10 -0.58 0.58 -1.05 0.00 0.00 178.15 177.21 1y69 h VAL 54 N 0.00 1.29 -0.02 0.16 2.07 -1.56 -2.43 116.25 115.76 1y69 h VAL 54 Ca -0.00 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1y69 h VAL 54 Cb 0.42 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1y69 h VAL 54 CO 0.01 0.57 0.00 0.23 0.02 0.00 0.00 177.57 178.41 1y69 n MET 55 N -3.98 1.35 -0.10 1.57 2.81 -0.84 -3.63 117.12 114.28 1y69 n MET 55 Ca -0.04 -0.51 -0.14 0.00 -1.81 0.00 0.00 57.70 55.20 1y69 n MET 55 Cb 0.64 -1.47 -0.14 0.00 -0.71 0.00 0.00 33.22 31.54 1y69 n MET 55 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1y69 n SER 56 N -0.37 0.93 0.02 7.83 7.64 -1.02 -3.66 113.62 125.00 1y69 n SER 56 Ca 0.21 -0.03 0.12 0.00 1.01 0.00 0.00 58.87 60.18 1y69 n SER 56 Cb 0.23 0.30 0.51 0.00 -1.01 0.00 0.00 64.21 64.24 1y69 n SER 56 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1y69 n ARG 57 N -3.00 0.05 -0.06 1.43 5.12 -0.93 -3.06 116.66 116.21 1y69 n ARG 57 Ca -0.37 0.12 -0.02 0.00 -1.93 0.00 0.00 57.85 55.64 1y69 n ARG 57 Cb 1.08 -1.57 -0.16 0.00 -1.16 0.00 0.00 32.46 30.65 1y69 n ARG 57 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1y69 n HIS 58 N -1.66 0.10 -3.40 -1.55 -0.00 -1.24 -4.87 115.22 102.59 1y69 n HIS 58 Ca 0.06 0.03 -0.39 0.00 0.46 0.00 0.00 57.72 57.88 1y69 n HIS 58 Cb 0.31 -0.85 -0.09 0.00 -0.12 0.00 0.00 29.99 29.23 1y69 n HIS 58 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1y69 s PHE 59 N -2.85 3.23 -0.37 1.57 2.99 -1.17 -5.05 117.98 116.33 1y69 s PHE 59 Ca -0.09 0.29 -0.09 0.00 0.00 0.00 0.00 56.93 57.05 1y69 s PHE 59 Cb 0.09 -2.59 0.04 0.00 0.00 0.00 0.00 43.02 40.56 1y69 s PHE 59 CO 0.85 -0.27 0.18 1.03 -0.00 0.00 0.00 175.22 177.01 1y69 s ARG 60 N 2.05 2.69 -0.30 0.44 3.00 -1.26 -4.79 118.95 120.77 1y69 s ARG 60 Ca 0.14 -1.21 -0.06 0.00 0.00 0.00 0.00 55.73 54.60 1y69 s ARG 60 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 34.95 31.16 1y69 s ARG 60 CO 0.11 -0.75 0.17 0.54 0.00 0.00 0.00 175.30 175.37 1y69 n ARG 61 N 4.90 -2.71 0.00 3.54 1.74 -1.26 -4.89 116.66 117.98 1y69 n ARG 61 Ca -0.12 2.28 0.00 0.00 -0.77 0.00 0.00 57.85 59.25 1y69 n ARG 61 Cb 0.45 -4.63 0.00 0.00 -1.02 0.00 0.00 32.46 27.26 1y69 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y69 n GLY 62 N 0.52 0.33 2.48 -0.13 0.00 -1.26 -5.12 105.19 102.01 1y69 n GLY 62 Ca 0.02 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1y69 n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y69 s GLY 63 N 0.00 0.82 -0.08 -0.02 0.00 -1.26 -4.65 107.32 102.13 1y69 s GLY 63 Ca 0.00 -1.77 -0.00 0.00 0.00 0.00 0.00 44.72 42.95 1y69 s GLY 63 CO 0.00 2.07 -0.05 -1.59 0.00 0.00 0.00 173.10 173.53 1y69 s LYS 64 N 1.20 2.89 -0.05 2.90 0.00 -1.26 -5.04 119.74 120.38 1y69 s LYS 64 Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 55.97 55.63 1y69 s LYS 64 Cb -0.22 -2.66 0.02 0.00 0.00 0.00 0.00 37.83 34.97 1y69 s LYS 64 CO -0.04 0.62 -0.08 0.42 0.00 0.00 0.00 175.35 176.27 1y69 s ILE 65 N -0.68 0.78 -1.01 3.79 1.01 -1.26 -4.31 121.20 119.51 1y69 s ILE 65 Ca 0.10 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 1y69 s ILE 65 Cb -0.11 -0.75 0.25 0.00 0.01 0.00 0.00 42.46 41.86 1y69 s ILE 65 CO 0.02 0.28 0.99 -0.31 0.00 0.00 0.00 174.94 175.92 1y69 s TYR 66 N 0.79 4.06 -0.22 3.97 1.51 -1.25 -5.02 117.35 121.18 1y69 s TYR 66 Ca -0.13 -2.41 -0.29 0.00 -1.01 0.00 0.00 57.07 53.23 1y69 s TYR 66 Cb -0.15 -3.85 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 1y69 s TYR 66 CO 0.02 -0.98 1.16 0.42 -1.11 0.00 0.00 175.55 175.06 1y69 s ILE 67 N -0.63 4.45 -0.05 2.71 1.01 -1.26 -4.81 121.20 122.61 1y69 s ILE 67 Ca 0.26 1.73 0.08 0.00 0.00 0.00 0.00 60.65 62.72 1y69 s ILE 67 Cb -0.10 -4.18 0.12 0.00 0.01 0.00 0.00 42.46 38.31 1y69 s ILE 67 CO -0.08 -0.22 1.01 -2.11 0.00 0.00 0.00 174.94 173.54 1y69 n ARG 68 N 6.59 1.70 -1.24 2.79 1.85 -1.26 -4.74 116.66 122.35 1y69 n ARG 68 Ca 0.13 -1.80 -0.29 0.00 -1.00 0.00 0.00 57.85 54.89 1y69 n ARG 68 Cb 0.46 -1.11 0.11 0.00 -1.05 0.00 0.00 32.46 30.87 1y69 n ARG 68 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1y69 n ILE 69 N -0.79 3.38 -1.68 8.89 -5.35 -1.26 -4.99 119.36 117.55 1y69 n ILE 69 Ca 0.07 -2.45 -0.45 0.00 -0.27 0.00 0.00 62.75 59.65 1y69 n ILE 69 Cb 0.48 -0.94 -0.04 0.00 -1.74 0.00 0.00 39.64 37.40 1y69 n ILE 69 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1y69 n PHE 70 N -0.87 2.45 -1.73 4.28 7.35 -1.26 -4.88 117.46 122.79 1y69 n PHE 70 Ca 0.58 -0.02 -0.42 0.00 -0.76 0.00 0.00 57.45 56.84 1y69 n PHE 70 Cb 0.98 -2.67 -0.03 0.00 0.35 0.00 0.00 39.48 38.11 1y69 n PHE 70 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1y69 s PRO 71 N 2.74 4.13 -0.18 -7.13 0.02 -1.26 -4.90 135.00 128.42 1y69 s PRO 71 Ca 0.85 2.60 0.23 0.00 0.02 0.00 0.00 61.00 64.70 1y69 s PRO 71 Cb -0.59 -3.10 0.48 0.00 0.02 0.00 0.00 34.50 31.31 1y69 s PRO 71 CO 0.42 -0.76 1.13 -0.25 -0.33 0.00 0.00 177.00 177.21 1y69 n ASP 72 N 4.08 1.50 -3.19 2.53 8.00 -0.91 -4.85 116.55 123.73 1y69 n ASP 72 Ca 0.16 -2.10 -0.23 0.00 0.71 0.00 0.00 54.79 53.33 1y69 n ASP 72 Cb 0.35 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1y69 n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1y69 n LYS 73 N -0.27 1.58 -1.64 -1.24 4.76 -0.61 -5.01 118.16 115.73 1y69 n LYS 73 Ca 0.08 -3.83 -0.47 0.00 -2.87 0.00 0.00 58.31 51.22 1y69 n LYS 73 Cb 0.91 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 32.32 1y69 n LYS 73 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1y69 n PRO 74 N 0.66 1.74 -3.99 1.97 -0.02 -1.26 -3.95 135.00 130.15 1y69 n PRO 74 Ca 0.26 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 62.13 1y69 n PRO 74 Cb 0.52 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1y69 n PRO 74 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1y69 n VAL 75 N 2.25 0.00 -2.98 -1.45 0.24 -1.26 -3.79 118.33 111.33 1y69 n VAL 75 Ca 0.15 -1.87 -0.20 0.00 -2.04 0.00 0.00 64.34 60.38 1y69 n VAL 75 Cb 0.28 0.52 0.06 0.00 -1.47 0.00 0.00 33.84 33.22 1y69 n VAL 75 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1y69 s THR 76 N -2.58 2.22 -0.00 3.34 2.01 -1.26 -4.57 115.64 114.79 1y69 s THR 76 Ca 0.08 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1y69 s THR 76 Cb 0.00 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 70.24 1y69 s THR 76 CO 0.06 0.00 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.17 1y69 s LYS 77 N -4.69 0.55 0.16 4.92 2.47 -1.15 -4.97 119.74 117.03 1y69 s LYS 77 Ca 0.62 -0.29 -0.31 0.00 -1.56 0.00 0.00 55.97 54.43 1y69 s LYS 77 Cb -0.06 -0.52 -0.10 0.00 -1.46 0.00 0.00 37.83 35.69 1y69 s LYS 77 CO 0.39 0.14 1.51 0.21 0.16 0.00 0.00 175.35 177.76 1y69 s LYS 78 N -0.27 4.25 0.00 4.03 2.47 -1.26 -4.45 119.74 124.50 1y69 s LYS 78 Ca 0.02 2.29 0.00 0.00 -1.56 0.00 0.00 55.97 56.71 1y69 s LYS 78 Cb -0.03 -3.17 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1y69 s LYS 78 CO -0.00 -0.55 0.00 -2.30 0.16 0.00 0.00 175.35 172.66 1y69 n PRO 79 N 3.79 0.00 -0.15 4.03 -0.02 -1.26 -5.01 135.00 136.37 1y69 n PRO 79 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1y69 n PRO 79 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1y69 n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y69 n ALA 80 N -3.00 0.79 -1.00 3.55 0.00 -1.26 -5.07 120.51 114.52 1y69 n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y69 n ALA 80 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1y69 n ALA 80 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1y69 n GLU 81 N 0.00 0.00 -4.10 0.00 0.28 -1.26 -5.13 120.64 110.43 1y69 n GLU 81 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.73 1y69 n GLU 81 Cb 0.25 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 32.95 1y69 n GLU 81 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1y69 s THR 82 N 0.00 1.11 -0.73 3.84 -4.23 -1.26 -5.03 115.64 109.34 1y69 s THR 82 Ca 0.00 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1y69 s THR 82 Cb 0.00 -1.09 0.10 0.00 1.34 0.00 0.00 72.50 72.85 1y69 s THR 82 CO 0.00 0.37 2.60 -1.14 -0.54 0.00 0.00 174.62 175.92 1y69 n ARG 83 N 4.62 3.12 -4.02 3.99 0.63 -1.26 -4.87 116.66 118.86 1y69 n ARG 83 Ca -0.16 -2.78 -0.30 0.00 -0.92 0.00 0.00 57.85 53.69 1y69 n ARG 83 Cb 0.50 -2.29 -0.16 0.00 0.45 0.00 0.00 32.46 30.96 1y69 n ARG 83 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1y69 s MET 84 N -1.76 2.28 0.00 -0.14 1.75 -1.26 -5.03 119.30 115.14 1y69 s MET 84 Ca 0.57 -0.63 0.00 0.00 -1.25 0.00 0.00 55.69 54.37 1y69 s MET 84 Cb 0.33 -2.20 0.00 0.00 2.84 0.00 0.00 34.83 35.80 1y69 s MET 84 CO -0.20 -0.28 0.00 0.41 -0.65 0.00 0.00 175.02 174.31 1y69 n GLY 85 N 4.75 0.25 0.00 2.11 0.00 -1.26 -5.12 105.19 105.92 1y69 n GLY 85 Ca -0.17 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1y69 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y69 n LYS 86 N 0.00 0.59 -0.17 1.61 5.02 -1.26 -5.05 118.16 118.90 1y69 n LYS 86 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 1y69 n LYS 86 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1y69 n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y69 n GLY 87 N 3.50 -2.69 3.89 0.72 0.00 -1.26 -5.08 105.19 104.27 1y69 n GLY 87 Ca 0.00 -1.42 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 1y69 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y69 s LYS 88 N -3.44 2.24 -0.09 1.61 -0.14 -1.26 -5.10 119.74 113.55 1y69 s LYS 88 Ca 0.13 -2.14 -0.27 0.00 -1.36 0.00 0.00 55.97 52.33 1y69 s LYS 88 Cb -0.01 -1.97 -0.02 0.00 -1.68 0.00 0.00 37.83 34.14 1y69 s LYS 88 CO 0.10 -0.62 0.87 0.20 -0.76 0.00 0.00 175.35 175.14 1y69 s GLY 89 N -4.23 2.46 -0.26 -3.33 0.00 -1.26 -4.92 107.32 95.78 1y69 s GLY 89 Ca 0.26 0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.23 1y69 s GLY 89 CO 0.17 1.60 1.64 0.00 0.00 0.00 0.00 173.10 176.50 1y69 n ALA 90 N 4.53 4.43 -3.97 3.20 0.00 -1.26 -2.91 120.51 124.52 1y69 n ALA 90 Ca 0.04 -1.58 -0.31 0.00 0.00 0.00 0.00 53.44 51.60 1y69 n ALA 90 Cb 0.50 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.52 1y69 n ALA 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1y69 s VAL 91 N -1.93 2.31 0.00 0.00 1.01 -1.26 -4.90 120.40 115.63 1y69 s VAL 91 Ca 0.30 -2.68 0.00 0.00 0.00 0.00 0.00 61.98 59.61 1y69 s VAL 91 Cb 0.25 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1y69 s VAL 91 CO 0.04 -0.69 0.00 1.21 0.00 0.00 0.00 175.10 175.66 1y69 n GLU 92 N 3.83 0.00 -4.17 2.72 4.07 -1.26 -4.95 120.64 120.88 1y69 n GLU 92 Ca 0.04 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.02 1y69 n GLU 92 Cb 0.38 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.67 1y69 n GLU 92 CO 0.00 0.00 0.00 1.52 -0.06 0.00 0.00 177.13 178.59 1y69 s TYR 93 N 0.00 1.05 -0.03 4.31 -0.85 -1.26 -5.12 117.35 115.45 1y69 s TYR 93 Ca 0.00 -1.28 0.03 0.00 -0.52 0.00 0.00 57.07 55.30 1y69 s TYR 93 Cb 0.00 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.90 1y69 s TYR 93 CO 0.00 -0.71 -0.12 -1.58 -1.52 0.00 0.00 175.55 171.62 1y69 s TRP 94 N -4.09 1.20 0.49 -3.49 0.51 -1.26 -4.24 118.94 108.06 1y69 s TRP 94 Ca 0.36 -0.31 0.00 0.00 -2.12 0.00 0.00 56.10 54.03 1y69 s TRP 94 Cb 0.05 -0.83 -0.00 0.00 -0.81 0.00 0.00 33.47 31.88 1y69 s TRP 94 CO 0.12 -0.11 0.00 1.33 -0.51 0.00 0.00 176.95 177.78 1y69 n VAL 95 N 3.21 0.00 -3.66 4.03 0.24 -1.25 -0.19 118.33 120.70 1y69 n VAL 95 Ca -0.18 -2.32 -0.07 0.00 -2.04 0.00 0.00 64.34 59.73 1y69 n VAL 95 Cb 0.54 0.47 -0.08 0.00 -1.47 0.00 0.00 33.84 33.30 1y69 n VAL 95 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1y69 s SER 96 N -3.70 -0.71 0.07 -1.34 1.04 -1.13 -1.57 113.70 106.36 1y69 s SER 96 Ca 0.00 1.24 -0.31 0.00 0.48 0.00 0.00 55.95 57.37 1y69 s SER 96 Cb 0.00 1.42 -0.09 0.00 0.10 0.00 0.00 66.02 67.46 1y69 s SER 96 CO 0.00 -0.22 1.75 0.68 0.98 0.00 0.00 173.24 176.43 1y69 s VAL 97 N 2.09 2.94 -0.39 5.02 -7.23 -1.26 -3.81 120.40 117.75 1y69 s VAL 97 Ca -0.07 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.42 1y69 s VAL 97 Cb -0.09 -3.20 0.11 0.00 0.56 0.00 0.00 36.38 33.75 1y69 s VAL 97 CO -0.16 -0.01 0.15 -0.69 -0.31 0.00 0.00 175.10 174.08 1y69 s VAL 98 N 3.04 2.84 -0.05 1.32 1.01 -1.25 -5.07 120.40 122.25 1y69 s VAL 98 Ca 0.78 -2.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 1y69 s VAL 98 Cb -0.41 -3.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1y69 s VAL 98 CO 0.34 -0.67 1.09 -0.75 0.00 0.00 0.00 175.10 175.12 1y69 s LYS 99 N 0.93 4.43 -0.58 2.72 2.47 -1.26 -4.18 119.74 124.26 1y69 s LYS 99 Ca 0.10 1.53 -0.33 0.00 -1.56 0.00 0.00 55.97 55.72 1y69 s LYS 99 Cb -0.21 -3.50 -0.14 0.00 -1.46 0.00 0.00 37.83 32.51 1y69 s LYS 99 CO -0.06 -0.30 2.38 -2.30 0.16 0.00 0.00 175.35 175.24 1y69 n PRO 100 N 4.70 0.64 0.00 4.03 -0.02 -1.26 -3.05 135.00 140.05 1y69 n PRO 100 Ca 0.09 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1y69 n PRO 100 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1y69 n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y69 n GLY 101 N 6.52 -0.02 3.95 -1.23 0.00 -1.26 -4.89 105.19 108.26 1y69 n GLY 101 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 1y69 n GLY 101 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y69 s ARG 102 N 0.00 2.26 -0.08 1.61 1.70 -1.17 -4.20 118.95 119.06 1y69 s ARG 102 Ca 0.00 -1.92 0.03 0.00 -0.47 0.00 0.00 55.73 53.37 1y69 s ARG 102 Cb 0.00 -2.27 -0.02 0.00 -0.57 0.00 0.00 34.95 32.09 1y69 s ARG 102 CO 0.00 -0.73 -0.15 0.08 -1.08 0.00 0.00 175.30 173.42 1y69 s VAL 103 N -2.75 2.91 -0.05 4.99 1.01 -1.26 -4.07 120.40 121.18 1y69 s VAL 103 Ca 0.43 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1y69 s VAL 103 Cb -0.03 -2.16 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1y69 s VAL 103 CO 0.27 0.56 0.01 0.23 0.00 0.00 0.00 175.10 176.18 1y69 n MET 104 N 2.85 3.02 -4.38 2.72 0.00 -0.69 -4.80 117.12 115.85 1y69 n MET 104 Ca -0.18 -0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.34 1y69 n MET 104 Cb 0.52 -1.13 -0.15 0.00 0.00 0.00 0.00 33.22 32.47 1y69 n MET 104 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1y69 s PHE 105 N -2.12 0.83 -0.27 2.03 0.08 -1.26 -4.68 117.98 112.59 1y69 s PHE 105 Ca -0.03 -0.16 -0.25 0.00 0.12 0.00 0.00 56.93 56.61 1y69 s PHE 105 Cb 0.02 -0.54 0.11 0.00 -0.57 0.00 0.00 43.02 42.03 1y69 s PHE 105 CO 0.20 -0.02 0.96 -1.83 -0.10 0.00 0.00 175.22 174.43 1y69 s GLU 106 N -0.17 0.59 0.37 0.44 1.03 -1.26 -1.08 118.70 118.62 1y69 s GLU 106 Ca 0.03 0.68 0.06 0.00 0.03 0.00 0.00 54.97 55.77 1y69 s GLU 106 Cb -0.04 0.29 -0.02 0.00 -0.80 0.00 0.00 34.13 33.55 1y69 s GLU 106 CO -0.00 -0.07 0.23 1.33 -1.33 0.00 0.00 175.26 175.41 1y69 n VAL 107 N 2.28 0.00 -3.64 1.83 0.24 -1.26 -3.84 118.33 113.94 1y69 n VAL 107 Ca -0.13 -2.45 -0.11 0.00 -2.04 0.00 0.00 64.34 59.62 1y69 n VAL 107 Cb 0.56 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.94 1y69 n VAL 107 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y69 s ALA 108 N -3.27 -1.87 0.00 2.33 0.00 -1.26 -2.88 121.76 114.81 1y69 s ALA 108 Ca 0.32 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.43 1y69 s ALA 108 Cb 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1y69 s ALA 108 CO 0.23 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1y69 n GLY 109 N 3.21 3.12 3.72 0.00 0.00 -1.26 -4.71 105.19 109.27 1y69 n GLY 109 Ca -0.16 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1y69 n GLY 109 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y69 s VAL 110 N -0.17 2.84 0.72 1.61 -7.23 -1.26 -5.05 120.40 111.87 1y69 s VAL 110 Ca 0.00 0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 60.32 1y69 s VAL 110 Cb 0.00 -2.66 0.17 0.00 0.56 0.00 0.00 36.38 34.45 1y69 s VAL 110 CO 0.00 -0.36 0.98 0.35 -0.31 0.00 0.00 175.10 175.77 1y69 n THR 111 N -3.83 0.00 -0.08 5.32 -2.24 -1.26 -4.90 114.28 107.29 1y69 n THR 111 Ca 0.09 -0.73 -0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1y69 n THR 111 Cb 0.54 -1.63 -0.05 0.00 -2.10 0.00 0.00 70.33 67.09 1y69 n THR 111 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1y69 h GLU 112 N 0.00 0.48 -0.03 -0.78 4.57 -1.99 -2.66 114.58 114.17 1y69 h GLU 112 Ca -0.32 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 57.60 1y69 h GLU 112 Cb 0.88 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1y69 h GLU 112 CO 0.23 0.75 -0.23 0.93 -1.18 0.00 0.00 179.01 179.50 1y69 h GLU 113 N 0.19 0.06 -0.54 1.92 3.07 -1.99 0.58 114.58 117.86 1y69 h GLU 113 Ca 0.05 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1y69 h GLU 113 Cb 0.60 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1y69 h GLU 113 CO 0.03 0.29 0.00 1.04 -1.40 0.00 0.00 179.01 178.97 1y69 n GLN 114 N -4.24 2.31 0.00 2.33 1.13 -1.14 -3.70 117.38 114.08 1y69 n GLN 114 Ca -0.02 -1.47 0.00 0.00 -1.94 0.00 0.00 57.00 53.57 1y69 n GLN 114 Cb 0.30 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1y69 n GLN 114 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y69 n ALA 115 N 0.51 2.57 0.26 -1.58 0.00 -0.58 -4.24 120.51 117.45 1y69 n ALA 115 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1y69 n ALA 115 Cb 0.48 0.37 0.71 0.00 0.00 0.00 0.00 19.45 21.02 1y69 n ALA 115 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1y69 h LYS 116 N 0.00 0.00 0.00 0.00 1.79 -1.08 -2.49 116.57 114.79 1y69 h LYS 116 Ca 0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1y69 h LYS 116 Cb 0.74 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 1y69 h LYS 116 CO 0.00 0.11 -2.09 -1.91 -1.08 0.00 0.00 179.45 174.48 1y69 n GLU 117 N -3.84 0.67 0.06 3.15 2.13 -1.24 -3.66 120.64 117.91 1y69 n GLU 117 Ca -0.02 -0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.66 1y69 n GLU 117 Cb 0.21 -1.58 -0.07 0.00 0.27 0.00 0.00 31.44 30.26 1y69 n GLU 117 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y69 h ALA 118 N 1.35 -0.07 0.00 4.31 0.00 -1.63 -1.33 119.26 121.89 1y69 h ALA 118 Ca -0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y69 h ALA 118 Cb 1.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1y69 h ALA 118 CO 0.03 -0.51 0.00 1.19 0.00 0.00 0.00 179.25 179.96 1y69 n PHE 119 N -5.09 0.75 -0.01 0.00 3.01 -1.02 -3.47 117.46 111.64 1y69 n PHE 119 Ca -0.08 0.23 -0.17 0.00 1.01 0.00 0.00 57.45 58.44 1y69 n PHE 119 Cb 0.08 -0.87 -0.11 0.00 -0.01 0.00 0.00 39.48 38.57 1y69 n PHE 119 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1y69 h ARG 120 N 0.00 0.33 0.36 -1.08 2.43 -1.51 -3.35 114.38 111.56 1y69 h ARG 120 Ca 0.00 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1y69 h ARG 120 Cb 0.66 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1y69 h ARG 120 CO 0.00 1.05 -0.17 -0.07 -1.51 0.00 0.00 179.97 179.27 1y69 h LEU 121 N -0.24 -0.41 -7.27 3.80 3.38 -1.30 -3.32 115.31 109.95 1y69 h LEU 121 Ca -0.06 -0.04 -0.70 0.00 0.09 0.00 0.00 57.88 57.17 1y69 h LEU 121 Cb 1.22 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.00 1y69 h LEU 121 CO 0.10 -0.22 2.39 0.00 0.09 0.00 0.00 178.44 180.80 1y69 n ALA 122 N -2.36 4.21 -0.76 1.53 0.00 -1.23 -3.73 120.51 118.18 1y69 n ALA 122 Ca -0.10 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.42 1y69 n ALA 122 Cb 0.24 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.17 1y69 n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y69 n GLY 123 N 4.82 0.72 0.12 0.00 0.00 -1.25 -4.88 105.19 104.72 1y69 n GLY 123 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.46 1y69 n GLY 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1y69 h HIS 124 N 0.00 0.07 -0.00 1.61 3.86 -1.79 -2.93 115.15 115.97 1y69 h HIS 124 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1y69 h HIS 124 Cb 0.02 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1y69 h HIS 124 CO 0.00 0.78 -0.01 0.36 0.86 0.00 0.00 177.93 179.92 1y69 n LYS 125 N -3.68 1.08 -2.85 2.45 0.00 -1.26 -4.80 118.16 109.09 1y69 n LYS 125 Ca -0.01 -0.22 -0.42 0.00 -0.00 0.00 0.00 58.31 57.66 1y69 n LYS 125 Cb 0.72 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 34.22 1y69 n LYS 125 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1y69 s LEU 126 N -2.08 4.20 0.55 -5.58 1.43 -1.11 -4.93 118.68 111.16 1y69 s LEU 126 Ca 0.43 1.26 0.31 0.00 -1.03 0.00 0.00 54.13 55.10 1y69 s LEU 126 Cb 0.22 -3.31 1.47 0.00 0.03 0.00 0.00 46.19 44.60 1y69 s LEU 126 CO 0.38 -0.40 1.88 -0.65 0.23 0.00 0.00 176.35 177.79 1y69 h PRO 127 N 7.24 0.00 0.00 1.29 0.11 -1.88 -3.42 132.00 135.33 1y69 h PRO 127 Ca -0.30 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.17 1y69 h PRO 127 Cb 1.14 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 1y69 h PRO 127 CO 0.84 0.00 -0.49 0.44 -0.21 0.00 0.00 178.00 178.58 1y69 n ILE 128 N -4.12 0.00 -3.59 4.15 -6.64 -1.26 -5.09 119.36 102.80 1y69 n ILE 128 Ca 0.16 -2.46 -0.29 0.00 -1.77 0.00 0.00 62.75 58.39 1y69 n ILE 128 Cb 0.91 0.65 -0.04 0.00 -1.44 0.00 0.00 39.64 39.72 1y69 n ILE 128 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 1y69 s GLN 129 N -3.77 3.59 0.32 6.28 -0.21 -1.26 -4.99 119.66 119.62 1y69 s GLN 129 Ca 0.08 -0.15 0.03 0.00 0.02 0.00 0.00 55.36 55.34 1y69 s GLN 129 Cb 0.00 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1y69 s GLN 129 CO 0.06 0.37 0.13 0.95 -2.12 0.00 0.00 175.29 174.68 1y69 s THR 130 N -1.85 0.53 0.34 -0.19 -4.23 -1.26 -1.58 115.64 107.40 1y69 s THR 130 Ca 0.41 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1y69 s THR 130 Cb -0.11 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1y69 s THR 130 CO 0.27 0.00 0.38 -1.59 -0.54 0.00 0.00 174.62 173.15 1y69 s LYS 131 N -3.83 1.86 0.32 3.99 -2.85 0.17 -4.97 119.74 114.43 1y69 s LYS 131 Ca 0.34 -1.91 0.09 0.00 -1.00 0.00 0.00 55.97 53.48 1y69 s LYS 131 Cb 0.05 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1y69 s LYS 131 CO 0.16 -0.74 0.04 -1.64 0.10 0.00 0.00 175.35 173.28 1y69 s MET 132 N -3.19 2.20 0.19 1.78 -1.94 -1.26 -2.13 119.30 114.95 1y69 s MET 132 Ca 0.36 -1.63 0.02 0.00 -1.71 0.00 0.00 55.69 52.73 1y69 s MET 132 Cb 0.01 -2.04 -0.01 0.00 2.01 0.00 0.00 34.83 34.80 1y69 s MET 132 CO 0.25 0.17 0.06 1.33 -0.01 0.00 0.00 175.02 176.82 1y69 n VAL 133 N -1.00 0.00 -1.39 -6.03 0.24 -1.26 -4.93 118.33 103.97 1y69 n VAL 133 Ca -0.04 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.18 1y69 n VAL 133 Cb 0.61 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1y69 n VAL 133 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1y69 n LYS 134 N -0.44 0.00 0.00 7.34 2.85 -1.26 -4.33 118.16 122.32 1y69 n LYS 134 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1y69 n LYS 134 Cb 0.28 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.66 1y69 n LYS 134 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1y69 n ARG 135 N 0.00 1.72 -3.68 -1.58 1.74 -1.26 -4.58 116.66 109.03 1y69 n ARG 135 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 1y69 n ARG 135 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 1y69 n ARG 135 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1y69 n GLU 136 N 0.00 -7.16 -3.78 5.56 -0.58 -1.26 -4.98 120.64 108.44 1y69 n GLU 136 Ca 0.00 0.76 -0.30 0.00 -0.42 0.00 0.00 57.16 57.21 1y69 n GLU 136 Cb 0.00 -5.77 -0.15 0.00 -0.57 0.00 0.00 31.44 24.95 1y69 n GLU 136 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1y69 s VAL 137 N -3.31 1.01 -0.03 2.62 1.01 -1.26 -5.11 120.40 115.34 1y69 s VAL 137 Ca 0.60 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1y69 s VAL 137 Cb -0.28 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1y69 s VAL 137 CO 0.75 -0.53 -0.05 -0.31 0.00 0.00 0.00 175.10 174.96 1y69 s TYR 138 N 1.57 0.66 0.00 5.22 2.02 -1.26 -4.88 117.35 120.67 1y69 s TYR 138 Ca 0.06 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1y69 s TYR 138 Cb -0.18 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 1y69 s TYR 138 CO -0.19 -0.13 0.00 -3.47 -1.57 0.00 0.00 175.55 170.19 1y69 n ASP 139 N 3.69 0.00 -3.61 2.29 -0.08 -1.26 -5.15 116.55 112.42 1y69 n ASP 139 Ca -0.22 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.85 1y69 n ASP 139 Cb 0.53 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.91 1y69 n ASP 139 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1y69 s GLU 140 N -0.87 1.82 0.00 -0.67 -1.05 -1.26 -5.28 118.70 111.39 1y69 s GLU 140 Ca 0.00 -2.08 0.32 0.00 -0.15 0.00 0.00 54.97 53.06 1y69 s GLU 140 Cb 0.00 0.02 1.80 0.00 -0.44 0.00 0.00 34.13 35.51 1y69 s GLU 140 CO 0.00 -0.60 2.17 0.00 0.95 0.00 0.00 175.26 177.78