#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sy1 n THR 3 N 1.33 0.00 -4.86 0.00 -2.24 -1.26 -4.99 114.28 102.26 1sy1 n THR 3 Ca -0.14 -0.24 -0.33 0.00 -2.27 0.00 0.00 64.05 61.08 1sy1 n THR 3 Cb 0.53 1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 69.79 1sy1 n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sy1 s LYS 4 N -0.32 3.02 -0.81 -0.78 -0.14 -1.26 -5.05 119.74 114.39 1sy1 s LYS 4 Ca 0.00 -0.71 -0.17 0.00 -1.36 0.00 0.00 55.97 53.73 1sy1 s LYS 4 Cb 0.00 -2.51 0.16 0.00 -1.68 0.00 0.00 37.83 33.80 1sy1 s LYS 4 CO 0.00 0.37 0.90 1.21 -0.76 0.00 0.00 175.35 177.06 1sy1 s ASN 5 N -0.06 6.58 0.30 2.83 2.47 -1.26 -5.04 114.94 120.75 1sy1 s ASN 5 Ca -0.03 -2.14 -0.29 0.00 0.42 0.00 0.00 52.86 50.82 1sy1 s ASN 5 Cb -0.14 -2.31 -0.10 0.00 -1.45 0.00 0.00 41.25 37.25 1sy1 s ASN 5 CO 0.04 -0.89 1.32 0.00 -3.72 0.00 0.00 177.10 173.84 1sy1 s ALA 6 N 1.75 3.52 -0.16 1.71 0.00 -1.26 -4.99 121.76 122.33 1sy1 s ALA 6 Ca 0.22 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 1sy1 s ALA 6 Cb -0.11 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1sy1 s ALA 6 CO -0.06 -0.62 0.39 0.42 0.00 0.00 0.00 175.76 175.90 1sy1 s ILE 7 N -0.77 5.23 0.63 0.00 -1.09 -1.26 -5.01 121.20 118.93 1sy1 s ILE 7 Ca 0.52 0.75 -0.15 0.00 -2.23 0.00 0.00 60.65 59.53 1sy1 s ILE 7 Cb -0.39 -3.73 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1sy1 s ILE 7 CO 0.49 0.32 1.09 0.00 -1.23 0.00 0.00 174.94 175.61 1sy1 s ALA 8 N 0.80 2.59 0.22 9.38 0.00 -1.26 -4.36 121.76 129.12 1sy1 s ALA 8 Ca 0.21 0.50 -0.32 0.00 0.00 0.00 0.00 51.96 52.34 1sy1 s ALA 8 Cb -0.14 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 1sy1 s ALA 8 CO 0.07 -1.06 1.51 0.94 0.00 0.00 0.00 175.76 177.22 1sy1 n GLN 9 N -2.20 2.21 -1.89 0.00 7.27 -0.15 -4.91 117.38 117.70 1sy1 n GLN 9 Ca 0.10 0.79 -0.42 0.00 0.07 0.00 0.00 57.00 57.54 1sy1 n GLN 9 Cb 0.52 -2.51 -0.03 0.00 2.41 0.00 0.00 30.24 30.63 1sy1 n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1sy1 s THR 10 N 0.35 2.48 -1.15 1.69 2.01 -1.26 -2.33 115.64 117.44 1sy1 s THR 10 Ca 0.72 0.35 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1sy1 s THR 10 Cb -0.63 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 68.66 1sy1 s THR 10 CO 0.44 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1sy1 n GLY 11 N 3.67 0.45 3.60 4.40 0.00 -1.26 -4.94 105.19 111.11 1sy1 n GLY 11 Ca 0.14 -0.41 -0.48 0.00 0.00 0.00 0.00 46.02 45.27 1sy1 n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sy1 n PHE 12 N -3.46 1.49 -3.35 1.61 7.35 -0.98 -4.91 117.46 115.21 1sy1 n PHE 12 Ca -0.14 0.62 -0.46 0.00 -0.76 0.00 0.00 57.45 56.72 1sy1 n PHE 12 Cb 0.53 -2.32 -0.03 0.00 0.35 0.00 0.00 39.48 38.00 1sy1 n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1sy1 s ASN 13 N 0.04 6.51 0.17 -2.13 3.84 -1.26 -4.95 114.94 117.17 1sy1 s ASN 13 Ca 0.72 -2.41 -0.12 0.00 0.21 0.00 0.00 52.86 51.25 1sy1 s ASN 13 Cb -0.80 -2.19 0.07 0.00 -0.55 0.00 0.00 41.25 37.78 1sy1 s ASN 13 CO 0.52 -0.65 1.72 0.07 -2.79 0.00 0.00 177.10 175.97 1sy1 h LYS 14 N 8.09 0.90 -0.25 0.43 2.10 -2.00 -2.72 116.57 123.13 1sy1 h LYS 14 Ca -0.03 -0.17 -0.09 0.00 -2.00 0.00 0.00 60.65 58.36 1sy1 h LYS 14 Cb 1.06 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.23 1sy1 h LYS 14 CO 0.84 0.78 -0.21 -0.44 -2.00 0.00 0.00 179.45 178.42 1sy1 h ASP 15 N 0.83 0.45 -0.43 7.07 3.32 -1.92 0.12 116.42 125.86 1sy1 h ASP 15 Ca 0.20 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1sy1 h ASP 15 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1sy1 h ASP 15 CO -0.01 0.67 -0.11 0.11 -1.72 0.00 0.00 179.24 178.18 1sy1 h LYS 16 N 0.41 0.83 -0.08 3.56 1.57 -1.96 -3.16 116.57 117.74 1sy1 h LYS 16 Ca 0.07 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1sy1 h LYS 16 Cb 0.60 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1sy1 h LYS 16 CO 0.04 0.95 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.92 1sy1 h TYR 17 N 0.66 0.19 -1.38 -1.35 3.20 -1.15 -3.30 116.97 113.84 1sy1 h TYR 17 Ca 0.11 -0.05 -0.74 0.00 3.14 0.00 0.00 58.73 61.20 1sy1 h TYR 17 Cb 0.65 -0.04 -0.16 0.00 1.54 0.00 0.00 36.73 38.71 1sy1 h TYR 17 CO 0.05 0.52 1.96 1.19 -1.64 0.00 0.00 178.16 180.23 1sy1 n PHE 18 N -4.77 2.56 0.48 -3.82 3.72 -0.00 -4.64 117.46 111.00 1sy1 n PHE 18 Ca -0.07 -2.69 0.12 0.00 -0.05 0.00 0.00 57.45 54.76 1sy1 n PHE 18 Cb 0.25 -1.66 0.18 0.00 -0.94 0.00 0.00 39.48 37.31 1sy1 n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1sy1 n ASN 19 N 1.25 3.29 0.00 4.37 6.94 -1.12 -3.79 115.26 126.20 1sy1 n ASN 19 Ca 0.58 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.17 1sy1 n ASN 19 Cb 0.27 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1sy1 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sy1 n GLY 20 N 1.41 0.76 4.00 4.83 0.00 0.38 -4.95 105.19 111.62 1sy1 n GLY 20 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1sy1 n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sy1 s ASP 21 N -2.77 4.51 -0.01 1.61 2.15 -1.24 -4.67 116.67 116.24 1sy1 s ASP 21 Ca 0.00 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 52.50 1sy1 s ASP 21 Cb 0.00 -0.05 -0.05 0.00 -0.30 0.00 0.00 42.92 42.52 1sy1 s ASP 21 CO 0.00 -1.74 0.30 -0.69 -0.17 0.00 0.00 175.17 172.87 1sy1 s VAL 22 N -3.06 5.24 -0.07 1.11 1.01 -1.26 -2.60 120.40 120.78 1sy1 s VAL 22 Ca 0.65 0.40 0.05 0.00 0.00 0.00 0.00 61.98 63.08 1sy1 s VAL 22 Cb -0.06 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1sy1 s VAL 22 CO 0.43 0.46 -0.23 0.26 0.00 0.00 0.00 175.10 176.02 1sy1 s TRP 23 N -1.20 2.50 -0.12 5.22 0.52 0.68 -4.64 118.94 121.90 1sy1 s TRP 23 Ca 0.25 -0.75 -0.05 0.00 0.02 0.00 0.00 56.10 55.57 1sy1 s TRP 23 Cb -0.14 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 1sy1 s TRP 23 CO 0.13 -0.23 0.07 0.71 0.02 0.00 0.00 176.95 177.65 1sy1 s TYR 24 N -0.06 3.34 -0.26 -1.98 2.02 -0.28 -1.04 117.35 119.08 1sy1 s TYR 24 Ca -0.06 0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.63 1sy1 s TYR 24 Cb -0.15 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1sy1 s TYR 24 CO 0.05 0.48 1.14 0.08 -1.57 0.00 0.00 175.55 175.73 1sy1 s VAL 25 N -0.59 4.44 -0.13 0.71 1.01 -0.60 -1.16 120.40 124.09 1sy1 s VAL 25 Ca 0.11 1.70 0.19 0.00 0.00 0.00 0.00 61.98 63.98 1sy1 s VAL 25 Cb -0.12 -4.26 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 1sy1 s VAL 25 CO 0.02 -0.33 0.36 0.35 0.00 0.00 0.00 175.10 175.50 1sy1 n THR 26 N 5.69 0.85 -3.69 3.92 -2.24 -0.19 -4.65 114.28 113.96 1sy1 n THR 26 Ca 0.13 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 1sy1 n THR 26 Cb 0.46 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1sy1 n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sy1 s ASP 27 N -5.19 -0.34 0.10 3.42 1.11 -1.19 -0.86 116.67 113.71 1sy1 s ASP 27 Ca -0.08 0.35 -0.07 0.00 0.18 0.00 0.00 52.55 52.93 1sy1 s ASP 27 Cb 0.09 0.45 -0.01 0.00 1.07 0.00 0.00 42.92 44.52 1sy1 s ASP 27 CO 0.85 -0.45 0.15 -0.72 1.18 0.00 0.00 175.17 176.19 1sy1 s TYR 28 N -1.09 0.31 -0.15 4.23 1.13 0.08 -0.89 117.35 120.97 1sy1 s TYR 28 Ca -0.11 -0.75 -0.06 0.00 -1.41 0.00 0.00 57.07 54.74 1sy1 s TYR 28 Cb -0.04 -0.15 0.07 0.00 -1.10 0.00 0.00 41.96 40.74 1sy1 s TYR 28 CO 0.05 -0.54 0.32 -1.17 -2.51 0.00 0.00 175.55 171.70 1sy1 s LEU 29 N -2.90 -0.30 -0.19 -3.49 2.96 -0.22 -0.33 118.68 114.21 1sy1 s LEU 29 Ca 0.09 0.72 -0.06 0.00 -0.22 0.00 0.00 54.13 54.66 1sy1 s LEU 29 Cb 0.05 0.94 -0.03 0.00 0.50 0.00 0.00 46.19 47.65 1sy1 s LEU 29 CO -0.08 -0.23 0.03 -0.62 -1.32 0.00 0.00 176.35 174.14 1sy1 s ASP 30 N 2.26 5.24 0.58 3.68 3.68 -1.26 -0.49 116.67 130.36 1sy1 s ASP 30 Ca -0.02 -0.06 0.33 0.00 2.13 0.00 0.00 52.55 54.93 1sy1 s ASP 30 Cb -0.12 -1.90 1.76 0.00 -1.45 0.00 0.00 42.92 41.22 1sy1 s ASP 30 CO -0.10 0.12 2.18 -0.07 0.13 0.00 0.00 175.17 177.43 1sy1 h LEU 31 N 7.08 0.00 -7.63 -1.34 3.38 -1.47 -2.75 115.31 112.57 1sy1 h LEU 31 Ca -0.35 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 56.84 1sy1 h LEU 31 Cb 1.18 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.64 1sy1 h LEU 31 CO 0.65 0.05 0.17 -1.61 0.09 0.00 0.00 178.44 177.79 1sy1 s GLU 32 N -4.22 3.70 0.52 1.13 2.02 -1.26 -4.98 118.70 115.61 1sy1 s GLU 32 Ca -0.03 -2.88 0.22 0.00 0.02 0.00 0.00 54.97 52.29 1sy1 s GLU 32 Cb 0.13 -4.35 1.39 0.00 0.10 0.00 0.00 34.13 31.41 1sy1 s GLU 32 CO 0.53 -1.26 2.13 -1.00 0.02 0.00 0.00 175.26 175.68 1sy1 h PRO 33 N 7.03 0.00 0.00 0.39 0.13 -1.87 -1.40 132.00 136.27 1sy1 h PRO 33 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1sy1 h PRO 33 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1sy1 h PRO 33 CO 0.86 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 1sy1 n ASP 34 N -4.12 0.00 0.25 1.44 10.43 -1.26 -3.25 116.55 120.04 1sy1 n ASP 34 Ca -0.03 0.26 0.14 0.00 2.57 0.00 0.00 54.79 57.73 1sy1 n ASP 34 Cb 0.15 -0.40 0.58 0.00 1.84 0.00 0.00 41.12 43.30 1sy1 n ASP 34 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1sy1 h ASP 35 N 0.00 0.00 -4.41 -2.24 5.19 -1.61 -3.45 116.42 109.91 1sy1 h ASP 35 Ca 0.00 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1sy1 h ASP 35 Cb 0.28 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 39.61 1sy1 h ASP 35 CO 0.00 0.10 -0.73 0.68 -3.12 0.00 0.00 179.24 176.16 1sy1 s VAL 36 N -3.68 0.93 1.08 -1.35 -7.23 -1.20 -5.06 120.40 103.89 1sy1 s VAL 36 Ca 0.01 -1.60 -0.12 0.00 -1.81 0.00 0.00 61.98 58.46 1sy1 s VAL 36 Cb 0.10 -1.31 0.24 0.00 0.56 0.00 0.00 36.38 35.96 1sy1 s VAL 36 CO 0.59 -0.53 1.06 -2.84 -0.31 0.00 0.00 175.10 173.06 1sy1 s PRO 37 N -2.68 -0.26 0.34 4.82 0.02 -1.26 -4.95 135.00 131.03 1sy1 s PRO 37 Ca 0.04 0.83 0.21 0.00 0.02 0.00 0.00 61.00 62.10 1sy1 s PRO 37 Cb -0.04 -1.63 0.20 0.00 0.02 0.00 0.00 34.50 33.05 1sy1 s PRO 37 CO 0.00 -3.28 1.43 0.87 -0.33 0.00 0.00 177.00 175.70 1sy1 h LYS 38 N -2.30 0.00 -4.89 5.54 1.57 -1.99 -3.44 116.57 111.05 1sy1 h LYS 38 Ca -0.57 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.65 1sy1 h LYS 38 Cb 1.32 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.30 1sy1 h LYS 38 CO 0.51 0.12 -0.83 1.03 -0.57 0.00 0.00 179.45 179.71 1sy1 s ARG 39 N -3.17 2.00 0.15 3.15 0.52 -1.26 -4.95 118.95 115.39 1sy1 s ARG 39 Ca 0.05 -0.56 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 1sy1 s ARG 39 Cb 0.07 -1.62 0.07 0.00 0.52 0.00 0.00 34.95 33.98 1sy1 s ARG 39 CO 0.71 0.11 0.62 -0.47 0.02 0.00 0.00 175.30 176.29 1sy1 s TYR 40 N 0.44 -0.53 0.03 -0.53 6.14 -1.26 -4.48 117.35 117.16 1sy1 s TYR 40 Ca -0.13 0.32 0.01 0.00 0.64 0.00 0.00 57.07 57.91 1sy1 s TYR 40 Cb -0.15 0.56 -0.02 0.00 0.42 0.00 0.00 41.96 42.77 1sy1 s TYR 40 CO 0.04 -0.83 -0.05 0.00 0.64 0.00 0.00 175.55 175.36 1sy1 s ALA 42 N -1.33 -1.51 0.19 0.00 0.00 -1.26 -1.19 121.76 116.66 1sy1 s ALA 42 Ca -0.12 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 1sy1 s ALA 42 Cb -0.09 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1sy1 s ALA 42 CO -0.00 -0.33 0.50 0.00 0.00 0.00 0.00 175.76 175.92 1sy1 s ALA 43 N -1.00 -0.83 0.06 0.00 0.00 -0.81 -1.56 121.76 117.62 1sy1 s ALA 43 Ca -0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 1sy1 s ALA 43 Cb -0.02 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.96 1sy1 s ALA 43 CO 0.07 -0.79 0.21 -0.48 0.00 0.00 0.00 175.76 174.77 1sy1 s LEU 44 N -2.89 1.31 0.12 0.00 0.05 -0.21 -1.13 118.68 115.93 1sy1 s LEU 44 Ca 0.10 -0.43 0.06 0.00 0.05 0.00 0.00 54.13 53.91 1sy1 s LEU 44 Cb -0.01 1.04 -0.04 0.00 -2.05 0.00 0.00 46.19 45.14 1sy1 s LEU 44 CO -0.02 -0.62 -0.00 0.00 -0.55 0.00 0.00 176.35 175.15 1sy1 s ALA 45 N -2.97 3.25 -0.05 1.48 0.00 0.10 -0.23 121.76 123.33 1sy1 s ALA 45 Ca -0.02 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.72 1sy1 s ALA 45 Cb 0.01 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 22.05 1sy1 s ALA 45 CO -0.06 0.63 0.11 0.00 0.00 0.00 0.00 175.76 176.44 1sy1 s ALA 46 N -1.43 -0.14 0.01 0.00 0.00 -1.07 -1.14 121.76 117.99 1sy1 s ALA 46 Ca 0.26 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 1sy1 s ALA 46 Cb -0.11 -0.42 0.11 0.00 0.00 0.00 0.00 23.12 22.70 1sy1 s ALA 46 CO 0.18 -0.17 1.25 0.20 0.00 0.00 0.00 175.76 177.22 1sy1 s GLY 47 N 1.23 -0.36 -0.17 0.00 0.00 -0.67 -0.47 107.32 106.89 1sy1 s GLY 47 Ca -0.08 0.56 -0.13 0.00 0.00 0.00 0.00 44.72 45.06 1sy1 s GLY 47 CO -0.05 0.59 0.26 -1.59 0.00 0.00 0.00 173.10 172.31 1sy1 s THR 48 N -2.48 5.32 -0.19 0.90 2.01 -1.25 -0.74 115.64 119.21 1sy1 s THR 48 Ca 0.15 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.64 1sy1 s THR 48 Cb 0.04 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.98 1sy1 s THR 48 CO -0.03 0.39 -0.12 0.00 -0.69 0.00 0.00 174.62 174.18 1sy1 s ALA 49 N 0.50 2.01 -1.44 7.40 0.00 -0.09 -4.76 121.76 125.39 1sy1 s ALA 49 Ca 0.15 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1sy1 s ALA 49 Cb -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1sy1 s ALA 49 CO 0.03 -0.71 0.36 0.45 0.00 0.00 0.00 175.76 175.89 1sy1 n SER 50 N 4.69 -0.19 0.00 0.00 2.88 -1.26 -1.32 113.62 118.43 1sy1 n SER 50 Ca -0.15 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 1sy1 n SER 50 Cb 0.47 -2.82 0.00 0.00 -0.75 0.00 0.00 64.21 61.11 1sy1 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sy1 n GLY 51 N -2.06 2.29 3.69 0.46 0.00 -1.26 -5.02 105.19 103.29 1sy1 n GLY 51 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1sy1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sy1 s LYS 52 N -0.11 3.65 -0.15 1.61 -0.14 -0.43 -5.07 119.74 119.11 1sy1 s LYS 52 Ca 0.00 -0.32 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 1sy1 s LYS 52 Cb 0.00 -3.11 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 1sy1 s LYS 52 CO 0.00 0.46 1.09 -1.17 -0.76 0.00 0.00 175.35 174.97 1sy1 s LEU 53 N -0.17 4.19 0.07 3.17 2.96 -1.26 -0.91 118.68 126.73 1sy1 s LEU 53 Ca 0.07 1.55 0.04 0.00 -0.22 0.00 0.00 54.13 55.57 1sy1 s LEU 53 Cb -0.12 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1sy1 s LEU 53 CO 0.01 -0.59 -0.11 -0.54 -1.32 0.00 0.00 176.35 173.80 1sy1 s LYS 54 N 2.66 0.74 0.06 1.98 -0.14 0.08 -1.47 119.74 123.65 1sy1 s LYS 54 Ca 0.49 -0.96 0.05 0.00 -1.36 0.00 0.00 55.97 54.19 1sy1 s LYS 54 Cb -0.19 -0.57 -0.03 0.00 -1.68 0.00 0.00 37.83 35.37 1sy1 s LYS 54 CO 0.14 0.11 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.49 1sy1 s GLU 55 N -2.04 0.83 -0.10 1.68 2.02 -0.54 -1.67 118.70 118.88 1sy1 s GLU 55 Ca -0.02 -0.91 0.04 0.00 0.02 0.00 0.00 54.97 54.10 1sy1 s GLU 55 Cb -0.08 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.32 1sy1 s GLU 55 CO 0.01 0.19 -0.22 0.00 0.02 0.00 0.00 175.26 175.26 1sy1 s ALA 56 N -1.18 2.05 0.13 5.21 0.00 -0.29 -0.57 121.76 127.11 1sy1 s ALA 56 Ca -0.01 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1sy1 s ALA 56 Cb -0.09 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1sy1 s ALA 56 CO 0.02 0.24 -0.12 -0.51 0.00 0.00 0.00 175.76 175.38 1sy1 s LEU 57 N 0.43 2.91 -0.03 0.00 1.43 0.11 -0.72 118.68 122.80 1sy1 s LEU 57 Ca -0.17 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1sy1 s LEU 57 Cb -0.17 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1sy1 s LEU 57 CO 0.07 0.16 -0.04 -0.47 0.23 0.00 0.00 176.35 176.30 1sy1 s TYR 58 N -1.33 0.64 -0.02 0.29 5.04 -0.29 -1.61 117.35 120.07 1sy1 s TYR 58 Ca 0.21 -0.15 0.05 0.00 -2.44 0.00 0.00 57.07 54.74 1sy1 s TYR 58 Cb -0.10 -0.57 -0.01 0.00 0.35 0.00 0.00 41.96 41.63 1sy1 s TYR 58 CO 0.13 -0.15 -0.17 -1.01 -1.34 0.00 0.00 175.55 173.01 1sy1 s HIS 59 N 0.75 1.60 -0.14 4.97 3.76 -0.36 -1.92 115.29 123.95 1sy1 s HIS 59 Ca -0.09 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.41 1sy1 s HIS 59 Cb -0.13 -1.04 0.06 0.00 1.11 0.00 0.00 32.58 32.58 1sy1 s HIS 59 CO -0.00 -0.07 0.29 -0.47 -0.85 0.00 0.00 174.74 173.65 1sy1 s TYR 60 N -0.28 -0.47 -0.40 1.40 5.04 -0.33 -1.72 117.35 120.60 1sy1 s TYR 60 Ca 0.04 1.03 -0.19 0.00 -2.44 0.00 0.00 57.07 55.50 1sy1 s TYR 60 Cb -0.08 0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.30 1sy1 s TYR 60 CO 0.00 -0.34 0.58 0.34 -1.34 0.00 0.00 175.55 174.79 1sy1 s ASP 61 N 2.06 6.32 0.22 4.32 -1.08 -0.26 -0.88 116.67 127.37 1sy1 s ASP 61 Ca -0.03 -0.20 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 1sy1 s ASP 61 Cb -0.11 -2.29 0.93 0.00 -1.46 0.00 0.00 42.92 39.98 1sy1 s ASP 61 CO -0.09 -0.64 1.70 -0.81 0.52 0.00 0.00 175.17 175.85 1sy1 n PRO 62 N 6.00 0.18 -0.09 4.34 -0.04 -1.26 -0.33 135.00 143.80 1sy1 n PRO 62 Ca -0.03 0.37 -0.22 0.00 -0.04 0.00 0.00 63.50 63.58 1sy1 n PRO 62 Cb 0.48 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 1sy1 n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sy1 n LYS 63 N -2.16 0.60 0.16 0.54 5.02 -1.26 -4.49 118.16 116.57 1sy1 n LYS 63 Ca 0.03 0.52 0.12 0.00 -2.02 0.00 0.00 58.31 56.96 1sy1 n LYS 63 Cb 0.25 -1.73 0.09 0.00 -0.02 0.00 0.00 35.03 33.61 1sy1 n LYS 63 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1sy1 h THR 64 N -0.84 0.00 -0.00 -0.18 1.35 -1.96 -3.47 112.91 107.81 1sy1 h THR 64 Ca -0.37 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1sy1 h THR 64 Cb 1.43 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.56 1sy1 h THR 64 CO -0.17 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.10 1sy1 n GLN 65 N -2.85 -0.71 -1.73 4.72 6.02 0.55 -5.00 117.38 118.38 1sy1 n GLN 65 Ca 0.02 0.18 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 1sy1 n GLN 65 Cb 0.54 -3.72 -0.03 0.00 1.02 0.00 0.00 30.24 28.04 1sy1 n GLN 65 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sy1 s ASP 66 N -2.01 6.40 -0.03 1.08 2.15 -1.23 -4.77 116.67 118.26 1sy1 s ASP 66 Ca 0.00 2.83 0.01 0.00 0.43 0.00 0.00 52.55 55.82 1sy1 s ASP 66 Cb 0.00 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1sy1 s ASP 66 CO 0.00 -0.98 -0.04 -0.89 -0.17 0.00 0.00 175.17 173.09 1sy1 s THR 67 N 1.65 0.45 -0.06 1.71 2.01 -1.26 -1.10 115.64 119.03 1sy1 s THR 67 Ca 0.77 -0.11 -0.22 0.00 0.31 0.00 0.00 61.69 62.43 1sy1 s THR 67 Cb -0.48 -0.47 0.05 0.00 0.01 0.00 0.00 72.50 71.60 1sy1 s THR 67 CO 0.33 0.19 0.50 0.72 -0.69 0.00 0.00 174.62 175.67 1sy1 s PHE 68 N 0.71 -0.45 0.15 4.92 -0.71 -0.70 -5.02 117.98 116.88 1sy1 s PHE 68 Ca -0.09 0.84 0.08 0.00 -1.04 0.00 0.00 56.93 56.72 1sy1 s PHE 68 Cb -0.12 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 1sy1 s PHE 68 CO -0.00 -0.46 -0.09 0.71 -1.34 0.00 0.00 175.22 174.04 1sy1 s TYR 69 N -0.96 2.69 0.03 3.49 1.51 -1.24 -1.22 117.35 121.65 1sy1 s TYR 69 Ca -0.10 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1sy1 s TYR 69 Cb -0.03 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1sy1 s TYR 69 CO 0.06 0.47 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.42 1sy1 s ASP 70 N -2.58 0.41 -0.09 2.29 1.11 -0.63 -1.47 116.67 115.70 1sy1 s ASP 70 Ca 0.23 -0.57 0.03 0.00 0.18 0.00 0.00 52.55 52.42 1sy1 s ASP 70 Cb -0.10 0.10 -0.01 0.00 1.07 0.00 0.00 42.92 43.98 1sy1 s ASP 70 CO 0.15 -0.32 -0.18 -0.69 1.18 0.00 0.00 175.17 175.31 1sy1 s VAL 71 N -1.75 2.63 -0.01 -1.27 1.01 -0.44 -0.71 120.40 119.87 1sy1 s VAL 71 Ca -0.12 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1sy1 s VAL 71 Cb -0.08 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1sy1 s VAL 71 CO -0.02 0.55 -0.16 -0.44 0.00 0.00 0.00 175.10 175.04 1sy1 s SER 72 N 0.05 1.87 -0.18 3.32 0.01 0.27 -1.25 113.70 117.78 1sy1 s SER 72 Ca -0.07 -0.29 -0.04 0.00 1.31 0.00 0.00 55.95 56.85 1sy1 s SER 72 Cb -0.15 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1sy1 s SER 72 CO 0.05 0.19 -0.02 -1.61 0.41 0.00 0.00 173.24 172.27 1sy1 s GLU 73 N -0.36 3.63 -0.15 12.44 2.02 -1.25 -1.47 118.70 133.56 1sy1 s GLU 73 Ca 0.06 -0.52 -0.07 0.00 0.02 0.00 0.00 54.97 54.46 1sy1 s GLU 73 Cb -0.06 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1sy1 s GLU 73 CO -0.01 0.09 0.09 -0.51 0.02 0.00 0.00 175.26 174.94 1sy1 s LEU 74 N 0.78 4.02 0.05 1.80 1.02 -0.54 -2.14 118.68 123.67 1sy1 s LEU 74 Ca -0.00 0.25 0.01 0.00 0.02 0.00 0.00 54.13 54.41 1sy1 s LEU 74 Cb -0.14 -1.99 -0.04 0.00 0.02 0.00 0.00 46.19 44.04 1sy1 s LEU 74 CO 0.02 0.29 0.11 -1.10 0.02 0.00 0.00 176.35 175.69 1sy1 s GLN 75 N -0.34 3.07 -0.14 1.70 -1.52 0.01 -4.59 119.66 117.84 1sy1 s GLN 75 Ca 0.10 -0.57 -0.18 0.00 -1.95 0.00 0.00 55.36 52.75 1sy1 s GLN 75 Cb -0.12 -2.84 -0.04 0.00 -0.22 0.00 0.00 33.01 29.79 1sy1 s GLN 75 CO 0.01 0.60 0.50 0.08 -0.25 0.00 0.00 175.29 176.23 1sy1 s VAL 76 N -1.36 5.16 -0.20 1.09 1.01 -1.26 -1.44 120.40 123.39 1sy1 s VAL 76 Ca 0.29 0.97 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 1sy1 s VAL 76 Cb -0.12 -3.83 -0.21 0.00 0.00 0.00 0.00 36.38 32.22 1sy1 s VAL 76 CO 0.21 0.27 0.02 -0.62 0.00 0.00 0.00 175.10 174.98 1sy1 n GLU 77 N 4.05 0.69 -3.82 2.72 -0.58 -0.12 -4.94 120.64 118.64 1sy1 n GLU 77 Ca -0.06 0.19 -0.02 0.00 -0.42 0.00 0.00 57.16 56.85 1sy1 n GLU 77 Cb 0.51 -1.59 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1sy1 n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sy1 s SER 78 N -6.65 -0.05 0.06 1.62 1.04 -1.07 -5.02 113.70 103.63 1sy1 s SER 78 Ca -0.29 -0.46 -0.30 0.00 0.48 0.00 0.00 55.95 55.38 1sy1 s SER 78 Cb 0.08 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.51 1sy1 s SER 78 CO 0.68 -0.77 1.83 -0.22 0.98 0.00 0.00 173.24 175.73 1sy1 s LEU 79 N -3.27 4.40 0.00 2.42 2.96 -1.26 -1.41 118.68 122.51 1sy1 s LEU 79 Ca 0.19 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1sy1 s LEU 79 Cb -0.01 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1sy1 s LEU 79 CO 0.02 -0.99 0.00 0.61 -1.32 0.00 0.00 176.35 174.67 1sy1 n GLY 80 N 4.30 0.58 2.87 7.98 0.00 -1.26 -4.77 105.19 114.89 1sy1 n GLY 80 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1sy1 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sy1 s LYS 81 N -0.05 1.15 0.12 1.61 2.20 -0.50 -0.98 119.74 123.28 1sy1 s LYS 81 Ca 0.00 -0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 1sy1 s LYS 81 Cb 0.00 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.01 1sy1 s LYS 81 CO 0.00 -0.23 -0.11 0.71 -0.36 0.00 0.00 175.35 175.36 1sy1 s TYR 82 N 1.60 1.18 -0.16 4.03 2.02 -0.12 -0.95 117.35 124.96 1sy1 s TYR 82 Ca 0.01 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 56.05 1sy1 s TYR 82 Cb -0.13 -0.62 -0.00 0.00 -0.40 0.00 0.00 41.96 40.81 1sy1 s TYR 82 CO -0.05 0.05 -0.16 0.99 -1.57 0.00 0.00 175.55 174.81 1sy1 s THR 83 N -2.65 2.62 -0.10 -0.71 2.01 -0.52 -1.36 115.64 114.93 1sy1 s THR 83 Ca 0.09 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1sy1 s THR 83 Cb -0.02 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.38 1sy1 s THR 83 CO 0.01 0.52 -0.18 0.00 -0.69 0.00 0.00 174.62 174.27 1sy1 s ALA 84 N 0.86 2.45 0.94 7.40 0.00 0.47 -0.81 121.76 133.07 1sy1 s ALA 84 Ca -0.05 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 1sy1 s ALA 84 Cb -0.15 -0.99 0.18 0.00 0.00 0.00 0.00 23.12 22.15 1sy1 s ALA 84 CO -0.01 0.34 1.26 0.54 0.00 0.00 0.00 175.76 177.89 1sy1 s ASN 85 N 0.08 3.29 -0.16 0.00 2.20 -0.91 -0.99 114.94 118.44 1sy1 s ASN 85 Ca -0.08 0.46 -0.21 0.00 -0.94 0.00 0.00 52.86 52.09 1sy1 s ASN 85 Cb -0.15 -0.66 0.05 0.00 -2.00 0.00 0.00 41.25 38.50 1sy1 s ASN 85 CO 0.05 -2.64 0.55 0.72 -2.94 0.00 0.00 177.10 172.84 1sy1 s PHE 86 N -3.71 -0.57 -0.07 1.54 -0.12 -1.25 -3.84 117.98 109.95 1sy1 s PHE 86 Ca 0.70 1.29 0.05 0.00 -0.05 0.00 0.00 56.93 58.93 1sy1 s PHE 86 Cb -0.07 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 1sy1 s PHE 86 CO 0.52 -0.36 -0.24 -1.59 -0.05 0.00 0.00 175.22 173.50 1sy1 s LYS 87 N -0.16 2.72 0.08 1.99 -2.85 -0.38 -4.08 119.74 117.06 1sy1 s LYS 87 Ca -0.04 -0.88 -0.30 0.00 -1.00 0.00 0.00 55.97 53.75 1sy1 s LYS 87 Cb -0.03 -2.22 -0.05 0.00 -2.06 0.00 0.00 37.83 33.46 1sy1 s LYS 87 CO 0.03 0.33 1.08 0.21 0.10 0.00 0.00 175.35 177.10 1sy1 s LYS 88 N -0.02 4.55 0.12 1.78 2.20 -0.38 -1.32 119.74 126.66 1sy1 s LYS 88 Ca -0.08 1.62 0.03 0.00 -0.36 0.00 0.00 55.97 57.18 1sy1 s LYS 88 Cb -0.15 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1sy1 s LYS 88 CO 0.05 -0.05 -0.08 0.14 -0.36 0.00 0.00 175.35 175.05 1sy1 s VAL 89 N 0.55 0.89 1.06 4.02 -7.23 -0.54 -0.40 120.40 118.75 1sy1 s VAL 89 Ca 0.53 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 1sy1 s VAL 89 Cb -0.26 -1.71 0.23 0.00 0.56 0.00 0.00 36.38 35.20 1sy1 s VAL 89 CO 0.30 -0.79 1.20 1.51 -0.31 0.00 0.00 175.10 177.01 1sy1 s ASP 90 N -3.02 2.24 0.48 4.85 1.47 -0.46 -3.65 116.67 118.58 1sy1 s ASP 90 Ca 0.13 0.56 0.32 0.00 1.18 0.00 0.00 52.55 54.74 1sy1 s ASP 90 Cb 0.03 -0.79 1.61 0.00 -0.34 0.00 0.00 42.92 43.43 1sy1 s ASP 90 CO -0.02 -3.30 1.98 0.07 0.68 0.00 0.00 175.17 174.58 1sy1 h LYS 91 N -2.02 0.00 -0.21 2.11 2.10 -1.95 -0.80 116.57 115.80 1sy1 h LYS 91 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1sy1 h LYS 91 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1sy1 h LYS 91 CO 0.41 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.95 1sy1 n ASN 92 N -2.71 2.54 0.00 7.07 3.02 -1.26 -4.78 115.26 119.14 1sy1 n ASN 92 Ca -0.01 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.70 1sy1 n ASN 92 Cb 0.14 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1sy1 n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sy1 n GLY 93 N 1.31 0.75 3.73 7.41 0.00 -0.31 -5.00 105.19 113.08 1sy1 n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1sy1 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sy1 s ASN 94 N -2.35 7.16 -0.04 1.61 0.01 -1.26 -4.79 114.94 115.28 1sy1 s ASN 94 Ca 0.00 2.06 -0.30 0.00 -0.71 0.00 0.00 52.86 53.91 1sy1 s ASN 94 Cb 0.00 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1sy1 s ASN 94 CO 0.00 -0.36 1.17 -0.69 -1.51 0.00 0.00 177.10 175.71 1sy1 s VAL 95 N 0.41 4.31 -0.25 1.60 1.01 -1.26 -1.35 120.40 124.87 1sy1 s VAL 95 Ca 0.54 1.64 0.03 0.00 0.00 0.00 0.00 61.98 64.19 1sy1 s VAL 95 Cb -0.30 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 31.86 1sy1 s VAL 95 CO 0.32 0.03 -0.21 0.29 0.00 0.00 0.00 175.10 175.54 1sy1 n LYS 96 N 4.87 0.65 -3.70 2.72 5.02 0.47 -4.92 118.16 123.27 1sy1 n LYS 96 Ca 0.10 0.14 -0.24 0.00 -2.02 0.00 0.00 58.31 56.28 1sy1 n LYS 96 Cb 0.47 -1.52 -0.17 0.00 -0.02 0.00 0.00 35.03 33.79 1sy1 n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sy1 s VAL 97 N -2.51 0.19 0.87 -0.18 1.01 -0.85 -4.97 120.40 113.96 1sy1 s VAL 97 Ca -0.33 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1sy1 s VAL 97 Cb 0.09 -0.58 0.12 0.00 0.00 0.00 0.00 36.38 36.00 1sy1 s VAL 97 CO 0.61 -0.01 1.12 0.00 0.00 0.00 0.00 175.10 176.82 1sy1 s ALA 98 N 2.03 1.67 0.19 5.51 0.00 -1.26 -1.25 121.76 128.65 1sy1 s ALA 98 Ca 0.03 0.41 -0.33 0.00 0.00 0.00 0.00 51.96 52.07 1sy1 s ALA 98 Cb -0.14 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1sy1 s ALA 98 CO -0.06 -2.43 1.31 0.28 0.00 0.00 0.00 175.76 174.86 1sy1 n VAL 99 N -3.99 0.76 -3.77 0.00 0.31 -1.26 -4.75 118.33 105.63 1sy1 n VAL 99 Ca 0.10 -0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.11 1sy1 n VAL 99 Cb 0.53 -1.16 -0.14 0.00 -0.91 0.00 0.00 33.84 32.15 1sy1 n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1sy1 s THR 100 N 0.01 -0.04 -0.21 2.52 2.01 -1.26 -5.06 115.64 113.61 1sy1 s THR 100 Ca 0.73 0.14 -0.38 0.00 0.31 0.00 0.00 61.69 62.49 1sy1 s THR 100 Cb -0.76 -0.20 -0.14 0.00 0.01 0.00 0.00 72.50 71.41 1sy1 s THR 100 CO 0.49 0.06 1.80 0.00 -0.69 0.00 0.00 174.62 176.28 1sy1 n ALA 101 N 3.92 0.21 0.00 7.40 0.00 -1.26 -0.91 120.51 129.87 1sy1 n ALA 101 Ca -0.23 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1sy1 n ALA 101 Cb 0.53 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1sy1 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sy1 n GLY 102 N 4.30 0.22 3.29 0.00 0.00 -1.26 -4.80 105.19 106.94 1sy1 n GLY 102 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 1sy1 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sy1 s ASN 103 N -2.00 5.99 0.17 1.61 -0.87 -0.09 -0.86 114.94 118.90 1sy1 s ASN 103 Ca 0.00 -1.73 -0.14 0.00 -1.57 0.00 0.00 52.86 49.42 1sy1 s ASN 103 Cb 0.00 -2.13 0.02 0.00 -0.02 0.00 0.00 41.25 39.12 1sy1 s ASN 103 CO 0.00 -0.75 0.42 -0.72 -2.57 0.00 0.00 177.10 173.48 1sy1 s TYR 104 N 1.52 0.04 0.04 2.20 1.13 -0.77 -3.93 117.35 117.58 1sy1 s TYR 104 Ca 0.04 -0.39 0.03 0.00 -1.41 0.00 0.00 57.07 55.34 1sy1 s TYR 104 Cb -0.27 0.21 -0.02 0.00 -1.10 0.00 0.00 41.96 40.78 1sy1 s TYR 104 CO 0.02 -0.81 -0.09 1.52 -2.51 0.00 0.00 175.55 173.68 1sy1 s TYR 105 N -3.89 0.80 0.33 -3.49 1.13 -0.16 -0.60 117.35 111.47 1sy1 s TYR 105 Ca 0.11 -0.43 -0.10 0.00 -1.41 0.00 0.00 57.07 55.24 1sy1 s TYR 105 Cb 0.01 -0.47 -0.07 0.00 -1.10 0.00 0.00 41.96 40.33 1sy1 s TYR 105 CO -0.04 -0.04 0.67 0.95 -2.51 0.00 0.00 175.55 174.58 1sy1 s THR 106 N -1.17 4.86 -0.15 -3.49 -4.23 -0.49 -0.40 115.64 110.56 1sy1 s THR 106 Ca -0.06 0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1sy1 s THR 106 Cb -0.09 -3.69 0.07 0.00 1.34 0.00 0.00 72.50 70.14 1sy1 s THR 106 CO 0.01 -0.33 0.23 0.12 -0.54 0.00 0.00 174.62 174.10 1sy1 s PHE 107 N -2.13 -0.32 -0.11 3.99 5.36 -0.47 -2.48 117.98 121.83 1sy1 s PHE 107 Ca 0.49 0.58 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 1sy1 s PHE 107 Cb -0.11 -0.22 0.01 0.00 -0.34 0.00 0.00 43.02 42.36 1sy1 s PHE 107 CO 0.27 -0.45 -0.19 0.99 -1.46 0.00 0.00 175.22 174.38 1sy1 s THR 108 N 2.36 1.72 -0.53 0.12 2.01 -0.27 -0.95 115.64 120.10 1sy1 s THR 108 Ca 0.04 -0.80 -0.20 0.00 0.31 0.00 0.00 61.69 61.05 1sy1 s THR 108 Cb -0.14 -1.53 0.06 0.00 0.01 0.00 0.00 72.50 70.91 1sy1 s THR 108 CO -0.10 0.48 0.71 -0.69 -0.69 0.00 0.00 174.62 174.34 1sy1 s VAL 109 N 0.71 4.75 0.04 3.82 1.01 -0.15 -1.33 120.40 129.25 1sy1 s VAL 109 Ca -0.12 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1sy1 s VAL 109 Cb -0.16 -4.39 -0.14 0.00 0.00 0.00 0.00 36.38 31.69 1sy1 s VAL 109 CO 0.02 -0.94 1.29 0.24 0.00 0.00 0.00 175.10 175.72 1sy1 h MET 110 N 9.11 0.00 -2.27 2.72 2.86 -1.09 -0.39 114.93 125.87 1sy1 h MET 110 Ca -0.28 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.29 1sy1 h MET 110 Cb 1.09 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.53 1sy1 h MET 110 CO 1.02 0.85 0.01 -0.47 1.06 0.00 0.00 176.91 179.38 1sy1 s TYR 111 N -2.77 -0.65 -0.07 -0.22 5.04 -1.07 -3.07 117.35 114.54 1sy1 s TYR 111 Ca 0.01 1.52 -0.23 0.00 -2.44 0.00 0.00 57.07 55.93 1sy1 s TYR 111 Cb 0.09 0.24 0.05 0.00 0.35 0.00 0.00 41.96 42.70 1sy1 s TYR 111 CO 0.80 -0.36 0.54 0.00 -1.34 0.00 0.00 175.55 175.19 1sy1 s ALA 112 N 0.08 -1.37 0.00 3.97 0.00 -1.26 -0.95 121.76 122.24 1sy1 s ALA 112 Ca -0.02 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1sy1 s ALA 112 Cb -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1sy1 s ALA 112 CO 0.02 -0.31 0.00 -0.40 0.00 0.00 0.00 175.76 175.07 1sy1 n ASP 113 N 1.42 0.08 0.25 0.00 5.68 -0.25 -4.96 116.55 118.77 1sy1 n ASP 113 Ca -0.19 -0.40 0.12 0.00 -0.50 0.00 0.00 54.79 53.82 1sy1 n ASP 113 Cb 0.56 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.19 1sy1 n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sy1 h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.31 116.42 113.29 1sy1 h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sy1 h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sy1 h ASP 114 CO 0.00 0.16 -0.71 -1.54 -1.72 0.00 0.00 179.24 175.42 1sy1 n SER 115 N -3.61 2.87 -3.91 6.45 3.41 -1.26 -4.86 113.62 112.72 1sy1 n SER 115 Ca -0.01 -0.21 -0.08 0.00 -0.26 0.00 0.00 58.87 58.31 1sy1 n SER 115 Cb 0.29 1.06 -0.08 0.00 -0.26 0.00 0.00 64.21 65.22 1sy1 n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1sy1 s SER 116 N -1.83 0.19 0.14 4.04 1.04 -1.25 -0.98 113.70 115.05 1sy1 s SER 116 Ca -0.00 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 55.48 1sy1 s SER 116 Cb 0.01 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1sy1 s SER 116 CO 0.08 -0.71 0.56 0.00 0.98 0.00 0.00 173.24 174.15 1sy1 s ALA 117 N -3.88 -1.48 -0.10 5.32 0.00 -0.86 -1.09 121.76 119.67 1sy1 s ALA 117 Ca 0.06 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1sy1 s ALA 117 Cb 0.05 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.00 1sy1 s ALA 117 CO -0.10 -0.73 -0.16 -1.17 0.00 0.00 0.00 175.76 173.60 1sy1 s LEU 118 N -2.68 1.77 0.18 0.00 2.96 -0.12 -0.61 118.68 120.17 1sy1 s LEU 118 Ca 0.01 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.56 1sy1 s LEU 118 Cb -0.00 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 1sy1 s LEU 118 CO -0.12 0.04 -0.15 0.27 -1.32 0.00 0.00 176.35 175.07 1sy1 s ILE 119 N 0.85 1.67 -0.05 6.68 -4.36 -0.41 -0.66 121.20 124.91 1sy1 s ILE 119 Ca -0.09 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.33 1sy1 s ILE 119 Cb -0.15 -1.88 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 1sy1 s ILE 119 CO 0.01 -0.49 -0.25 -2.28 0.24 0.00 0.00 174.94 172.17 1sy1 s HIS 120 N -2.56 2.43 -0.06 1.37 5.65 -0.44 -1.26 115.29 120.42 1sy1 s HIS 120 Ca 0.18 -0.69 0.02 0.00 0.25 0.00 0.00 55.06 54.82 1sy1 s HIS 120 Cb -0.03 -1.59 0.01 0.00 -1.18 0.00 0.00 32.58 29.80 1sy1 s HIS 120 CO 0.06 -0.20 -0.11 0.08 -0.65 0.00 0.00 174.74 173.92 1sy1 s VAL 121 N -0.22 1.00 -0.31 0.89 1.01 0.45 -1.11 120.40 122.12 1sy1 s VAL 121 Ca -0.02 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1sy1 s VAL 121 Cb -0.13 -0.93 0.07 0.00 0.00 0.00 0.00 36.38 35.39 1sy1 s VAL 121 CO 0.03 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.46 1sy1 s LEU 123 N 1.11 4.39 -0.08 0.00 2.96 -1.26 -1.40 118.68 124.40 1sy1 s LEU 123 Ca -0.01 1.25 0.04 0.00 -0.22 0.00 0.00 54.13 55.20 1sy1 s LEU 123 Cb -0.20 -3.07 -0.00 0.00 0.50 0.00 0.00 46.19 43.41 1sy1 s LEU 123 CO -0.04 -0.01 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.76 1sy1 s HIS 124 N 0.24 2.26 -0.36 5.38 3.76 0.23 -1.60 115.29 125.20 1sy1 s HIS 124 Ca 0.36 -0.81 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1sy1 s HIS 124 Cb -0.19 -1.51 0.11 0.00 1.11 0.00 0.00 32.58 32.10 1sy1 s HIS 124 CO 0.19 -0.31 0.12 0.15 -0.85 0.00 0.00 174.74 174.04 1sy1 s LYS 125 N 0.20 1.21 7.70 1.40 1.02 -0.33 -1.85 119.74 129.09 1sy1 s LYS 125 Ca -0.12 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.20 1sy1 s LYS 125 Cb -0.16 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1sy1 s LYS 125 CO 0.06 -1.01 0.00 0.41 -0.92 0.00 0.00 175.35 173.89 1sy1 n GLY 126 N 4.26 3.22 0.18 -3.33 0.00 -0.04 -2.18 105.19 107.31 1sy1 n GLY 126 Ca 0.03 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1sy1 n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sy1 n ASN 127 N 6.81 0.76 -4.85 1.61 5.03 -1.26 -4.87 115.26 118.49 1sy1 n ASN 127 Ca 0.00 -0.72 -0.33 0.00 0.87 0.00 0.00 54.58 54.40 1sy1 n ASN 127 Cb 0.00 0.03 -0.06 0.00 -1.02 0.00 0.00 39.78 38.74 1sy1 n ASN 127 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1sy1 s LYS 128 N -2.50 3.97 0.21 3.52 -0.14 -0.93 -5.08 119.74 118.79 1sy1 s LYS 128 Ca 0.26 0.55 0.02 0.00 -1.36 0.00 0.00 55.97 55.43 1sy1 s LYS 128 Cb 0.20 -2.65 -0.05 0.00 -1.68 0.00 0.00 37.83 33.65 1sy1 s LYS 128 CO 0.50 0.30 0.04 0.16 -0.76 0.00 0.00 175.35 175.58 1sy1 s ASP 129 N -2.11 1.23 -0.24 2.83 1.47 -1.26 -1.19 116.67 117.40 1sy1 s ASP 129 Ca 0.48 -1.25 0.13 0.00 1.18 0.00 0.00 52.55 53.09 1sy1 s ASP 129 Cb -0.12 0.13 0.58 0.00 -0.34 0.00 0.00 42.92 43.17 1sy1 s ASP 129 CO 0.19 -0.62 1.52 -0.11 0.68 0.00 0.00 175.17 176.83 1sy1 n LEU 130 N -0.33 4.45 -0.25 2.11 7.94 -0.63 -4.65 117.00 125.64 1sy1 n LEU 130 Ca -0.04 -3.23 0.03 0.00 -1.11 0.00 0.00 56.01 51.66 1sy1 n LEU 130 Cb 0.64 -0.61 -0.01 0.00 0.53 0.00 0.00 43.42 43.97 1sy1 n LEU 130 CO 0.35 0.83 -0.07 0.61 -1.11 0.00 0.00 177.39 178.01 1sy1 n GLY 131 N -0.56 -1.80 3.64 -3.96 0.00 -1.26 -4.65 105.19 96.60 1sy1 n GLY 131 Ca 0.28 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 1sy1 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sy1 s ASP 132 N -4.43 6.65 -0.22 1.61 1.01 -1.26 -4.38 116.67 115.65 1sy1 s ASP 132 Ca 0.00 1.62 -0.02 0.00 0.71 0.00 0.00 52.55 54.86 1sy1 s ASP 132 Cb 0.00 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1sy1 s ASP 132 CO 0.00 -1.03 -0.08 -0.22 0.21 0.00 0.00 175.17 174.05 1sy1 s LEU 133 N 4.37 2.82 -0.02 1.23 2.96 -0.53 -1.09 118.68 128.42 1sy1 s LEU 133 Ca 0.63 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1sy1 s LEU 133 Cb -0.23 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1sy1 s LEU 133 CO 0.24 -0.05 0.14 -0.31 -1.32 0.00 0.00 176.35 175.04 1sy1 s TYR 134 N 1.39 3.44 -0.04 5.38 2.02 0.36 -0.41 117.35 129.49 1sy1 s TYR 134 Ca 0.04 0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1sy1 s TYR 134 Cb -0.15 -1.80 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1sy1 s TYR 134 CO -0.06 0.61 0.09 0.00 -1.57 0.00 0.00 175.55 174.63 1sy1 s ALA 135 N -1.24 -0.18 -0.14 3.71 0.00 -0.39 -1.05 121.76 122.46 1sy1 s ALA 135 Ca 0.24 0.39 -0.19 0.00 0.00 0.00 0.00 51.96 52.40 1sy1 s ALA 135 Cb -0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1sy1 s ALA 135 CO 0.15 -0.09 0.52 0.08 0.00 0.00 0.00 175.76 176.43 1sy1 s VAL 136 N 0.57 5.14 0.14 0.00 1.01 -0.07 -1.29 120.40 125.91 1sy1 s VAL 136 Ca -0.04 1.01 0.08 0.00 0.00 0.00 0.00 61.98 63.03 1sy1 s VAL 136 Cb -0.06 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1sy1 s VAL 136 CO -0.02 0.26 -0.09 -0.76 0.00 0.00 0.00 175.10 174.49 1sy1 s LEU 137 N 1.03 3.04 0.03 3.92 1.43 0.21 -1.03 118.68 127.32 1sy1 s LEU 137 Ca 0.27 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1sy1 s LEU 137 Cb -0.15 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1sy1 s LEU 137 CO 0.11 0.14 -0.01 0.21 0.23 0.00 0.00 176.35 177.03 1sy1 s ASN 138 N -2.51 0.30 0.43 2.29 3.84 -0.31 -2.03 114.94 116.95 1sy1 s ASN 138 Ca 0.23 -0.64 0.23 0.00 0.21 0.00 0.00 52.86 52.89 1sy1 s ASN 138 Cb -0.10 0.15 0.93 0.00 -0.55 0.00 0.00 41.25 41.67 1sy1 s ASN 138 CO 0.15 -0.41 1.84 0.03 -2.79 0.00 0.00 177.10 175.91 1sy1 h ARG 139 N 4.09 0.00 -5.02 0.43 2.47 -1.32 -0.73 114.38 114.31 1sy1 h ARG 139 Ca -0.33 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.74 1sy1 h ARG 139 Cb 1.19 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.27 1sy1 h ARG 139 CO 0.49 0.26 -0.66 1.21 0.56 0.00 0.00 179.97 181.83 1sy1 s ASN 140 N -6.28 4.86 0.61 7.04 3.84 -1.26 -4.82 114.94 118.93 1sy1 s ASN 140 Ca -0.00 -0.24 0.36 0.00 0.21 0.00 0.00 52.86 53.19 1sy1 s ASN 140 Cb 0.11 -1.85 1.96 0.00 -0.55 0.00 0.00 41.25 40.92 1sy1 s ASN 140 CO 0.65 0.00 2.24 0.07 -2.79 0.00 0.00 177.10 177.26 1sy1 h LYS 141 N 7.96 0.00 -0.25 0.43 2.10 -1.95 -2.32 116.57 122.54 1sy1 h LYS 141 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1sy1 h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1sy1 h LYS 141 CO 0.60 0.03 0.00 -0.25 -2.00 0.00 0.00 179.45 177.82 1sy1 n ASP 142 N -3.37 3.07 -4.71 7.07 8.00 -1.26 -4.93 116.55 120.43 1sy1 n ASP 142 Ca -0.02 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.15 1sy1 n ASP 142 Cb 0.14 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1sy1 n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sy1 s ALA 143 N -1.44 3.43 0.41 2.24 0.00 -0.87 -5.01 121.76 120.51 1sy1 s ALA 143 Ca 0.31 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 1sy1 s ALA 143 Cb 0.19 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.76 1sy1 s ALA 143 CO 0.27 -0.50 1.21 0.00 0.00 0.00 0.00 175.76 176.74 1sy1 s ALA 144 N 1.19 3.17 0.16 0.00 0.00 -1.26 -4.94 121.76 120.08 1sy1 s ALA 144 Ca 0.60 1.05 -0.32 0.00 0.00 0.00 0.00 51.96 53.29 1sy1 s ALA 144 Cb -0.30 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.29 1sy1 s ALA 144 CO 0.29 -0.64 1.69 0.00 0.00 0.00 0.00 175.76 177.10 1sy1 s ALA 145 N -1.37 3.83 0.65 0.00 0.00 -1.26 -4.98 121.76 118.64 1sy1 s ALA 145 Ca 0.58 1.46 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 1sy1 s ALA 145 Cb -0.33 -3.69 0.10 0.00 0.00 0.00 0.00 23.12 19.21 1sy1 s ALA 145 CO 0.42 -0.96 0.71 0.41 0.00 0.00 0.00 175.76 176.34 1sy1 n GLY 146 N 3.97 0.59 0.28 0.00 0.00 -1.26 -4.88 105.19 103.89 1sy1 n GLY 146 Ca 0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.14 1sy1 n GLY 146 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1sy1 h ASP 147 N -0.46 0.73 0.01 1.61 -0.00 -1.98 -1.33 116.42 115.00 1sy1 h ASP 147 Ca -0.24 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.03 56.62 1sy1 h ASP 147 Cb 0.86 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.99 1sy1 h ASP 147 CO 0.25 0.80 -0.01 0.11 -0.00 0.00 0.00 179.24 180.40 1sy1 h LYS 148 N 0.72 -0.01 -0.08 4.15 1.57 -1.99 -0.93 116.57 119.99 1sy1 h LYS 148 Ca 0.14 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.73 1sy1 h LYS 148 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1sy1 h LYS 148 CO 0.02 0.14 -0.75 -0.24 -0.57 0.00 0.00 179.45 178.06 1sy1 h VAL 149 N -0.17 1.37 -0.67 0.50 3.04 -1.93 -2.10 116.25 116.29 1sy1 h VAL 149 Ca -0.00 -2.14 -0.06 0.00 -1.01 0.00 0.00 66.70 63.49 1sy1 h VAL 149 Cb 0.16 2.12 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 1sy1 h VAL 149 CO 0.00 0.65 0.19 0.11 -1.01 0.00 0.00 177.57 177.51 1sy1 h LYS 150 N 0.30 1.03 -0.63 4.17 1.57 -1.20 -0.97 116.57 120.84 1sy1 h LYS 150 Ca -0.04 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1sy1 h LYS 150 Cb 1.33 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 1sy1 h LYS 150 CO 0.13 0.89 0.15 0.77 -0.57 0.00 0.00 179.45 180.82 1sy1 h SER 151 N 0.99 0.93 -0.38 0.86 0.02 -1.05 -1.96 113.55 112.96 1sy1 h SER 151 Ca 0.22 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1sy1 h SER 151 Cb 0.30 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1sy1 h SER 151 CO -0.01 0.91 0.09 0.00 -1.14 0.00 0.00 176.83 176.68 1sy1 h ALA 152 N 1.21 1.32 -0.40 3.77 0.00 -0.78 0.10 119.26 124.48 1sy1 h ALA 152 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sy1 h ALA 152 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1sy1 h ALA 152 CO 0.00 0.48 0.20 0.28 0.00 0.00 0.00 179.25 180.21 1sy1 h VAL 153 N 0.67 1.17 -0.85 0.00 2.07 -0.72 -1.60 116.25 116.99 1sy1 h VAL 153 Ca 0.15 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1sy1 h VAL 153 Cb 0.28 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1sy1 h VAL 153 CO -0.00 0.18 0.50 0.28 0.02 0.00 0.00 177.57 178.55 1sy1 h SER 154 N 0.52 1.03 0.54 0.57 0.02 -0.65 -2.06 113.55 113.51 1sy1 h SER 154 Ca 0.14 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1sy1 h SER 154 Cb 0.11 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 1sy1 h SER 154 CO -0.02 0.80 -0.08 0.00 -1.14 0.00 0.00 176.83 176.40 1sy1 h ALA 155 N 1.27 1.12 -0.07 3.77 0.00 -0.35 0.80 119.26 125.80 1sy1 h ALA 155 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sy1 h ALA 155 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sy1 h ALA 155 CO -0.05 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1sy1 n ALA 156 N -2.18 2.56 -3.09 0.00 0.00 -0.65 -4.90 120.51 112.25 1sy1 n ALA 156 Ca -0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 1sy1 n ALA 156 Cb 0.25 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1sy1 n ALA 156 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sy1 n THR 157 N -0.35 -2.04 -4.36 0.00 -2.24 0.28 -5.03 114.28 100.53 1sy1 n THR 157 Ca 0.13 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.63 1sy1 n THR 157 Cb 0.15 -3.37 -0.07 0.00 -2.10 0.00 0.00 70.33 64.95 1sy1 n THR 157 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sy1 s LEU 158 N -6.16 2.76 -0.14 3.22 1.43 -0.82 -5.03 118.68 113.93 1sy1 s LEU 158 Ca 0.34 -1.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.11 1sy1 s LEU 158 Cb -0.15 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1sy1 s LEU 158 CO 0.42 -0.71 -0.10 -1.61 0.23 0.00 0.00 176.35 174.58 1sy1 s GLU 159 N -3.93 1.80 0.46 1.70 0.41 -1.26 -3.75 118.70 114.13 1sy1 s GLU 159 Ca 0.28 -0.44 0.12 0.00 -0.41 0.00 0.00 54.97 54.52 1sy1 s GLU 159 Cb 0.03 -1.89 1.04 0.00 -1.78 0.00 0.00 34.13 31.53 1sy1 s GLU 159 CO 0.16 -0.30 2.08 0.35 -0.49 0.00 0.00 175.26 177.06 1sy1 h PHE 160 N 8.11 0.31 -0.40 1.61 3.57 -1.90 -1.26 116.94 126.98 1sy1 h PHE 160 Ca -0.31 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.31 1sy1 h PHE 160 Cb 1.13 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1sy1 h PHE 160 CO 0.47 0.19 0.46 0.66 -2.23 0.00 0.00 178.31 177.85 1sy1 h SER 161 N 0.33 0.00 0.53 0.41 4.64 -2.00 -1.19 113.55 116.26 1sy1 h SER 161 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1sy1 h SER 161 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1sy1 h SER 161 CO -0.03 0.00 -0.75 0.29 -0.87 0.00 0.00 176.83 175.47 1sy1 n LYS 162 N -3.65 0.17 -2.22 4.77 5.02 -0.48 -4.92 118.16 116.86 1sy1 n LYS 162 Ca 0.07 0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 56.03 1sy1 n LYS 162 Cb 0.63 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1sy1 n LYS 162 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sy1 s PHE 163 N -3.11 2.64 -0.18 2.13 0.40 -0.45 -4.93 117.98 114.48 1sy1 s PHE 163 Ca 0.07 1.54 -0.16 0.00 -0.60 0.00 0.00 56.93 57.78 1sy1 s PHE 163 Cb 0.15 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 1sy1 s PHE 163 CO 0.75 -1.69 0.38 0.42 0.70 0.00 0.00 175.22 175.78 1sy1 s ILE 164 N -1.71 5.23 0.41 0.64 -1.09 0.55 -4.85 121.20 120.38 1sy1 s ILE 164 Ca 0.72 0.69 -0.22 0.00 -2.23 0.00 0.00 60.65 59.61 1sy1 s ILE 164 Cb -0.26 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 1sy1 s ILE 164 CO 0.29 0.30 0.96 -0.55 -1.23 0.00 0.00 174.94 174.71 1sy1 s SER 165 N 0.84 6.98 0.00 3.58 0.15 -1.26 -0.74 113.70 123.25 1sy1 s SER 165 Ca 0.19 1.76 0.25 0.00 0.70 0.00 0.00 55.95 58.85 1sy1 s SER 165 Cb -0.14 -2.55 0.56 0.00 -1.71 0.00 0.00 66.02 62.18 1sy1 s SER 165 CO 0.07 -0.33 1.47 0.35 1.20 0.00 0.00 173.24 176.00 1sy1 n THR 166 N -0.36 0.09 0.38 6.45 -2.24 -0.04 -4.67 114.28 113.89 1sy1 n THR 166 Ca 0.06 -0.43 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1sy1 n THR 166 Cb 0.53 0.98 0.49 0.00 -2.10 0.00 0.00 70.33 70.23 1sy1 n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1sy1 h LYS 167 N 3.63 0.00 -0.63 -0.78 2.10 -1.91 -3.08 116.57 115.90 1sy1 h LYS 167 Ca 0.00 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.46 1sy1 h LYS 167 Cb 0.78 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.99 1sy1 h LYS 167 CO 0.00 0.00 0.20 0.39 -2.00 0.00 0.00 179.45 178.04 1sy1 n GLU 168 N -2.61 3.32 -0.15 0.07 1.02 -1.26 -4.45 120.64 116.59 1sy1 n GLU 168 Ca 0.03 -3.07 0.05 0.00 -0.02 0.00 0.00 57.16 54.15 1sy1 n GLU 168 Cb 0.33 -2.11 0.13 0.00 -0.02 0.00 0.00 31.44 29.77 1sy1 n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sy1 n ASN 169 N -0.37 2.76 -2.71 1.62 3.02 -1.17 -4.99 115.26 113.42 1sy1 n ASN 169 Ca 0.38 -1.93 -0.16 0.00 -0.03 0.00 0.00 54.58 52.83 1sy1 n ASN 169 Cb 1.29 -0.19 -0.00 0.00 -0.61 0.00 0.00 39.78 40.26 1sy1 n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sy1 n ASN 170 N 0.48 -4.22 -4.76 6.41 4.13 -1.26 -4.89 115.26 111.14 1sy1 n ASN 170 Ca 0.10 -0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.97 1sy1 n ASN 170 Cb 0.40 -3.54 -0.04 0.00 -1.54 0.00 0.00 39.78 35.06 1sy1 n ASN 170 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sy1 s ALA 172 N -1.29 1.32 0.11 0.00 0.00 -1.26 -5.14 121.76 115.50 1sy1 s ALA 172 Ca 0.48 -0.58 0.10 0.00 0.00 0.00 0.00 51.96 51.96 1sy1 s ALA 172 Cb -0.29 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1sy1 s ALA 172 CO 0.37 0.23 -0.25 0.71 0.00 0.00 0.00 175.76 176.83 1sy1 s TYR 173 N 0.09 2.11 -0.87 0.00 2.02 -1.26 -5.07 117.35 114.37 1sy1 s TYR 173 Ca -0.04 -0.39 -0.12 0.00 -0.37 0.00 0.00 57.07 56.15 1sy1 s TYR 173 Cb -0.11 -1.15 0.23 0.00 -0.40 0.00 0.00 41.96 40.53 1sy1 s TYR 173 CO 0.02 0.28 0.81 0.34 -1.57 0.00 0.00 175.55 175.42 1sy1 s ASP 174 N -1.95 6.76 0.35 2.29 -1.08 -1.26 -4.90 116.67 116.88 1sy1 s ASP 174 Ca 0.11 -2.88 0.03 0.00 -0.52 0.00 0.00 52.55 49.29 1sy1 s ASP 174 Cb -0.10 -2.18 0.65 0.00 -1.46 0.00 0.00 42.92 39.83 1sy1 s ASP 174 CO 0.05 -0.50 1.98 0.78 0.52 0.00 0.00 175.17 178.00 1sy1 h ASN 175 N 7.51 0.65 -0.55 -0.34 2.35 -2.00 -2.53 115.58 120.68 1sy1 h ASN 175 Ca 0.12 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1sy1 h ASN 175 Cb 1.00 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 1sy1 h ASN 175 CO 0.79 0.52 0.14 0.44 -1.65 0.00 0.00 177.43 177.67 1sy1 h ASP 176 N 0.75 0.83 -0.54 5.81 3.32 -2.00 -1.62 116.42 122.96 1sy1 h ASP 176 Ca 0.19 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1sy1 h ASP 176 Cb 0.01 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1sy1 h ASP 176 CO -0.03 0.84 0.20 -1.28 -1.72 0.00 0.00 179.24 177.25 1sy1 h SER 177 N 0.77 0.76 -0.64 6.45 0.87 -1.80 -1.28 113.55 118.68 1sy1 h SER 177 Ca 0.17 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1sy1 h SER 177 Cb 0.33 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1sy1 h SER 177 CO 0.00 0.74 0.37 -0.07 -0.53 0.00 0.00 176.83 177.34 1sy1 h LEU 178 N 0.74 0.79 -0.43 2.23 3.38 -1.23 0.20 115.31 121.00 1sy1 h LEU 178 Ca 0.18 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1sy1 h LEU 178 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1sy1 h LEU 178 CO -0.01 0.64 0.03 0.11 0.09 0.00 0.00 178.44 179.30 1sy1 h LYS 179 N 0.88 0.74 -0.04 1.13 1.57 -1.17 -3.06 116.57 116.61 1sy1 h LYS 179 Ca 0.23 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1sy1 h LYS 179 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1sy1 h LYS 179 CO -0.04 0.79 -0.53 0.66 -0.57 0.00 0.00 179.45 179.76 1sy1 h SER 180 N 0.59 0.14 0.13 0.86 4.64 -0.89 -2.83 113.55 116.19 1sy1 h SER 180 Ca 0.13 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1sy1 h SER 180 Cb 0.44 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1sy1 h SER 180 CO 0.02 0.65 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.52 1sy1 h LEU 181 N 0.10 0.00 -2.07 5.97 3.38 -0.86 -1.80 115.31 120.04 1sy1 h LEU 181 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1sy1 h LEU 181 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1sy1 h LEU 181 CO 0.08 0.04 0.32 -0.07 0.09 0.00 0.00 178.44 178.89 1sy1 h LEU 182 N 0.00 0.00 -0.25 1.67 3.38 -1.48 -1.64 115.31 116.99 1sy1 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sy1 h LEU 182 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sy1 h LEU 182 CO 0.00 0.00 -0.30 0.35 0.09 0.00 0.00 178.44 178.59 1sy1 n THR 183 N -4.02 0.00 1.03 0.22 -2.24 -0.67 -4.72 114.28 103.88 1sy1 n THR 183 Ca 0.06 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1sy1 n THR 183 Cb 0.49 0.21 0.13 0.00 -2.10 0.00 0.00 70.33 69.06 1sy1 n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79