#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yac s LYS 3 N 0.00 4.39 0.44 -2.82 1.02 -1.26 -4.98 119.74 116.53 1yac s LYS 3 Ca 0.00 1.74 -0.23 0.00 0.02 0.00 0.00 55.97 57.50 1yac s LYS 3 Cb 0.00 -3.45 -0.08 0.00 -0.52 0.00 0.00 37.83 33.78 1yac s LYS 3 CO 0.00 -0.35 1.14 -2.14 -0.92 0.00 0.00 175.35 173.07 1yac s PRO 4 N 1.63 3.86 -0.69 -1.68 0.02 -1.26 -4.97 135.00 131.92 1yac s PRO 4 Ca 0.58 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 63.07 1yac s PRO 4 Cb -0.27 -2.44 0.05 0.00 0.02 0.00 0.00 34.50 31.86 1yac s PRO 4 CO 0.26 -0.45 1.09 -0.47 -0.33 0.00 0.00 177.00 177.10 1yac s TYR 5 N -1.57 2.52 -1.06 6.54 5.04 -1.26 -4.94 117.35 122.61 1yac s TYR 5 Ca 0.62 -0.34 -0.19 0.00 -2.44 0.00 0.00 57.07 54.71 1yac s TYR 5 Cb -0.27 -4.43 0.10 0.00 0.35 0.00 0.00 41.96 37.71 1yac s TYR 5 CO 0.33 -1.82 1.38 0.08 -1.34 0.00 0.00 175.55 174.19 1yac s VAL 6 N 4.73 4.38 0.14 3.14 1.01 -1.26 -4.99 120.40 127.56 1yac s VAL 6 Ca 0.27 -1.49 -0.02 0.00 0.00 0.00 0.00 61.98 60.74 1yac s VAL 6 Cb -0.13 -4.97 -0.05 0.00 0.00 0.00 0.00 36.38 31.23 1yac s VAL 6 CO 0.12 -1.76 0.35 0.00 0.00 0.00 0.00 175.10 173.81 1yac s ARG 7 N 3.60 3.55 0.25 2.72 1.70 -1.26 -5.05 118.95 124.46 1yac s ARG 7 Ca 0.42 -0.24 -0.31 0.00 -0.47 0.00 0.00 55.73 55.13 1yac s ARG 7 Cb -0.01 -2.88 -0.13 0.00 -0.57 0.00 0.00 34.95 31.36 1yac s ARG 7 CO -0.06 0.47 1.55 1.28 -1.08 0.00 0.00 175.30 177.47 1yac n LEU 8 N -0.11 3.74 -4.05 -1.89 4.77 -1.26 -4.99 117.00 113.22 1yac n LEU 8 Ca -0.04 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.76 1yac n LEU 8 Cb 0.52 -1.52 -0.16 0.00 -2.33 0.00 0.00 43.42 39.94 1yac n LEU 8 CO 0.49 -0.11 -0.49 -0.62 -1.33 0.00 0.00 177.39 175.34 1yac s ASP 9 N 0.56 3.32 0.18 -1.43 -1.08 -1.26 -4.45 116.67 112.51 1yac s ASP 9 Ca 0.68 -0.81 0.11 0.00 -0.52 0.00 0.00 52.55 52.02 1yac s ASP 9 Cb -0.57 -1.34 0.62 0.00 -1.46 0.00 0.00 42.92 40.18 1yac s ASP 9 CO 0.46 -0.09 1.33 2.29 0.52 0.00 0.00 175.17 179.68 1yac n LYS 10 N 4.65 0.07 0.00 4.34 2.85 -1.26 -0.95 118.16 127.86 1yac n LYS 10 Ca -0.17 0.56 0.09 0.00 -1.05 0.00 0.00 58.31 57.75 1yac n LYS 10 Cb 0.48 -1.78 0.07 0.00 -0.65 0.00 0.00 35.03 33.15 1yac n LYS 10 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1yac n ASN 11 N -1.90 2.46 -1.06 -5.58 5.03 -1.26 -4.46 115.26 108.49 1yac n ASN 11 Ca -0.01 -1.73 0.04 0.00 0.87 0.00 0.00 54.58 53.75 1yac n ASN 11 Cb 0.05 0.07 0.07 0.00 -1.02 0.00 0.00 39.78 38.95 1yac n ASN 11 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1yac n ASP 12 N 0.90 1.09 -4.12 6.41 2.03 -0.12 -4.99 116.55 117.75 1yac n ASP 12 Ca 0.11 -2.50 -0.22 0.00 0.52 0.00 0.00 54.79 52.70 1yac n ASP 12 Cb 0.46 -0.35 -0.15 0.00 -0.72 0.00 0.00 41.12 40.37 1yac n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yac s ALA 13 N -0.91 1.20 0.17 -1.67 0.00 -1.08 -1.01 121.76 118.46 1yac s ALA 13 Ca 0.30 -0.66 0.10 0.00 0.00 0.00 0.00 51.96 51.69 1yac s ALA 13 Cb 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1yac s ALA 13 CO -0.11 0.28 -0.22 0.00 0.00 0.00 0.00 175.76 175.72 1yac s ALA 14 N -0.43 2.23 -0.15 0.00 0.00 -0.07 -4.20 121.76 119.14 1yac s ALA 14 Ca 0.05 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1yac s ALA 14 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1yac s ALA 14 CO -0.00 0.35 -0.10 0.08 0.00 0.00 0.00 175.76 176.09 1yac s VAL 15 N -1.72 3.27 -0.28 0.00 1.01 -0.15 -0.65 120.40 121.89 1yac s VAL 15 Ca 0.17 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1yac s VAL 15 Cb -0.07 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1yac s VAL 15 CO 0.08 0.50 0.00 -0.76 0.00 0.00 0.00 175.10 174.92 1yac s LEU 16 N 0.52 3.60 -0.42 3.92 1.43 0.55 -0.68 118.68 127.58 1yac s LEU 16 Ca -0.07 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.00 1yac s LEU 16 Cb -0.15 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1yac s LEU 16 CO 0.04 -0.19 0.28 -0.76 0.23 0.00 0.00 176.35 175.94 1yac s LEU 17 N 1.36 5.20 -0.35 1.79 1.43 -0.28 -2.04 118.68 125.79 1yac s LEU 17 Ca -0.01 -1.45 -0.10 0.00 -1.03 0.00 0.00 54.13 51.54 1yac s LEU 17 Cb -0.18 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.04 1yac s LEU 17 CO -0.01 -0.55 0.18 -0.69 0.23 0.00 0.00 176.35 175.51 1yac s VAL 18 N 1.46 4.55 -1.42 -1.59 1.01 -0.11 -2.36 120.40 121.94 1yac s VAL 18 Ca 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1yac s VAL 18 Cb -0.23 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.70 1yac s VAL 18 CO 0.03 -0.12 0.90 0.47 0.00 0.00 0.00 175.10 176.38 1yac n ASP 19 N 4.98 -6.20 -4.02 3.32 8.00 -0.38 -1.75 116.55 120.51 1yac n ASP 19 Ca -0.13 -0.41 -0.43 0.00 0.71 0.00 0.00 54.79 54.54 1yac n ASP 19 Cb 0.47 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 1yac n ASP 19 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1yac n HIS 20 N -4.75 3.83 -3.97 1.24 8.25 -1.26 -4.18 115.22 114.38 1yac n HIS 20 Ca -0.05 -2.94 -0.31 0.00 -0.26 0.00 0.00 57.72 54.16 1yac n HIS 20 Cb 0.59 -2.43 -0.05 0.00 1.12 0.00 0.00 29.99 29.21 1yac n HIS 20 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1yac s GLN 21 N 2.78 3.26 0.25 -0.41 -0.21 -1.26 -1.78 119.66 122.30 1yac s GLN 21 Ca 0.47 -0.50 -0.03 0.00 0.02 0.00 0.00 55.36 55.32 1yac s GLN 21 Cb 0.09 -2.95 0.51 0.00 1.00 0.00 0.00 33.01 31.66 1yac s GLN 21 CO -0.02 0.61 1.71 0.00 -2.12 0.00 0.00 175.29 175.46 1yac h ALA 22 N 3.29 1.09 0.07 6.09 0.00 -1.05 -0.29 119.26 128.46 1yac h ALA 22 Ca -0.46 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1yac h ALA 22 Cb 1.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1yac h ALA 22 CO 0.71 -0.27 -0.03 0.78 0.00 0.00 0.00 179.25 180.44 1yac h GLY 23 N 0.38 -0.09 1.42 0.00 0.00 -1.17 -3.26 103.07 100.35 1yac h GLY 23 Ca 0.44 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.88 1yac h GLY 23 CO -0.46 -0.03 0.22 1.41 0.00 0.00 0.00 176.54 177.67 1yac h LEU 24 N -0.70 0.00 -1.97 3.11 3.38 -1.07 -0.72 115.31 117.34 1yac h LEU 24 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yac h LEU 24 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1yac h LEU 24 CO 0.02 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.44 1yac h LEU 25 N 0.00 0.00 -1.17 1.67 3.38 -1.10 -1.36 115.31 116.73 1yac h LEU 25 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1yac h LEU 25 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1yac h LEU 25 CO -0.00 0.04 0.00 0.77 0.09 0.00 0.00 178.44 179.33 1yac h SER 26 N 0.00 0.00 1.66 -0.43 4.64 -1.25 -2.45 113.55 115.72 1yac h SER 26 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yac h SER 26 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1yac h SER 26 CO 0.00 0.00 -0.09 -0.07 -0.87 0.00 0.00 176.83 175.81 1yac h LEU 27 N 0.00 0.00 -8.86 5.97 3.38 -1.39 -3.44 115.31 110.97 1yac h LEU 27 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 1yac h LEU 27 Cb 0.52 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1yac h LEU 27 CO 0.00 0.01 1.04 -0.69 0.09 0.00 0.00 178.44 178.89 1yac s VAL 28 N -3.17 3.97 0.00 1.22 1.01 -0.92 -3.91 120.40 118.60 1yac s VAL 28 Ca 0.08 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1yac s VAL 28 Cb 0.09 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1yac s VAL 28 CO 0.65 -0.63 0.18 0.54 0.00 0.00 0.00 175.10 175.84 1yac n ARG 29 N 7.78 0.45 0.18 2.72 1.74 0.25 -4.75 116.66 125.03 1yac n ARG 29 Ca 0.16 -0.18 0.08 0.00 -0.77 0.00 0.00 57.85 57.14 1yac n ARG 29 Cb 0.47 -0.62 0.10 0.00 -1.02 0.00 0.00 32.46 31.39 1yac n ARG 29 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1yac h ASP 30 N 0.00 0.00 -3.34 0.55 2.03 -1.46 -3.43 116.42 110.76 1yac h ASP 30 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1yac h ASP 30 Cb 0.20 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 38.36 1yac h ASP 30 CO 0.00 0.23 -0.83 -0.63 -1.03 0.00 0.00 179.24 176.98 1yac s ILE 31 N -3.10 1.35 0.55 4.15 1.01 -1.26 -4.87 121.20 119.02 1yac s ILE 31 Ca 0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 1yac s ILE 31 Cb 0.06 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 1yac s ILE 31 CO 0.71 0.41 1.33 -1.83 0.00 0.00 0.00 174.94 175.55 1yac s GLU 32 N 0.81 3.14 0.27 2.79 4.04 -1.26 -4.73 118.70 123.77 1yac s GLU 32 Ca -0.11 2.15 0.01 0.00 0.04 0.00 0.00 54.97 57.06 1yac s GLU 32 Cb -0.16 -2.22 0.59 0.00 0.02 0.00 0.00 34.13 32.37 1yac s GLU 32 CO 0.02 -1.16 1.76 -1.00 -1.84 0.00 0.00 175.26 173.04 1yac h PRO 33 N 1.41 0.62 -0.31 -4.83 0.13 -1.97 -0.42 132.00 126.63 1yac h PRO 33 Ca -0.51 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 1yac h PRO 33 Cb 1.30 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1yac h PRO 33 CO 0.57 0.41 0.07 -0.44 -0.23 0.00 0.00 178.00 178.38 1yac h ASP 34 N 0.64 0.47 -0.34 1.44 3.32 -1.99 -0.09 116.42 119.86 1yac h ASP 34 Ca 0.50 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1yac h ASP 34 Cb 0.74 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1yac h ASP 34 CO -0.38 0.58 -0.00 0.50 -1.72 0.00 0.00 179.24 178.22 1yac h LYS 35 N 0.34 0.60 -0.35 3.56 3.64 -1.89 -2.17 116.57 120.30 1yac h LYS 35 Ca 0.10 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1yac h LYS 35 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1yac h LYS 35 CO 0.00 0.72 0.22 0.35 -2.27 0.00 0.00 179.45 178.47 1yac h PHE 36 N 0.41 0.46 -0.17 1.91 3.57 -0.93 0.05 116.94 122.24 1yac h PHE 36 Ca 0.10 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1yac h PHE 36 Cb 0.45 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1yac h PHE 36 CO 0.04 0.33 0.05 -0.22 -2.23 0.00 0.00 178.31 176.27 1yac h LYS 37 N 0.46 0.12 -0.80 1.11 3.64 -0.97 -0.78 116.57 119.35 1yac h LYS 37 Ca 0.13 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1yac h LYS 37 Cb -0.00 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1yac h LYS 37 CO -0.02 0.08 0.50 -0.97 -2.27 0.00 0.00 179.45 176.76 1yac h ASN 38 N 0.12 0.79 -0.48 4.20 -1.24 -0.97 -1.56 115.58 116.44 1yac h ASN 38 Ca 0.07 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.98 1yac h ASN 38 Cb 0.06 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 38.94 1yac h ASN 38 CO -0.09 0.52 -0.15 0.78 -1.29 0.00 0.00 177.43 177.21 1yac h ASN 39 N 0.93 0.95 -0.31 1.15 2.35 -0.60 0.56 115.58 120.62 1yac h ASN 39 Ca 0.34 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1yac h ASN 39 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1yac h ASN 39 CO -0.15 1.11 -0.00 0.58 -1.65 0.00 0.00 177.43 177.32 1yac h VAL 40 N 0.79 1.26 0.00 2.81 2.07 -0.93 -1.03 116.25 121.23 1yac h VAL 40 Ca 0.12 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1yac h VAL 40 Cb 0.71 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1yac h VAL 40 CO 0.05 0.31 -0.32 -0.07 0.02 0.00 0.00 177.57 177.56 1yac h LEU 41 N 0.34 0.00 -0.30 2.57 3.38 -1.19 -1.21 115.31 118.89 1yac h LEU 41 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1yac h LEU 41 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1yac h LEU 41 CO 0.02 0.32 -0.18 0.00 0.09 0.00 0.00 178.44 178.69 1yac h ALA 42 N 1.68 0.43 -0.55 1.53 0.00 -0.55 -0.62 119.26 121.17 1yac h ALA 42 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1yac h ALA 42 Cb 0.61 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1yac h ALA 42 CO 0.04 0.35 0.22 1.25 0.00 0.00 0.00 179.25 181.11 1yac h LEU 43 N 0.40 0.76 -0.53 0.00 5.85 -0.74 -0.14 115.31 120.92 1yac h LEU 43 Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1yac h LEU 43 Cb 0.71 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1yac h LEU 43 CO 0.05 0.72 0.30 1.23 -0.34 0.00 0.00 178.44 180.40 1yac h GLY 44 N 0.75 0.79 1.00 3.75 0.00 -1.16 -1.22 103.07 106.98 1yac h GLY 44 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1yac h GLY 44 CO -0.02 0.34 0.33 -0.55 0.00 0.00 0.00 176.54 176.65 1yac h ASP 45 N 0.71 0.85 0.17 0.19 5.19 -0.80 -1.87 116.42 120.86 1yac h ASP 45 Ca 0.19 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.35 1yac h ASP 45 Cb 0.04 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1yac h ASP 45 CO -0.03 0.73 -0.47 0.17 -3.12 0.00 0.00 179.24 176.51 1yac h LEU 46 N 0.90 0.39 -0.55 1.55 8.10 -0.80 0.12 115.31 125.02 1yac h LEU 46 Ca 0.23 -0.19 -0.04 0.00 0.11 0.00 0.00 57.88 57.99 1yac h LEU 46 Cb 0.10 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 40.18 1yac h LEU 46 CO -0.03 0.81 0.18 0.00 -4.11 0.00 0.00 178.44 175.28 1yac h ALA 47 N 1.21 0.71 -0.18 0.17 0.00 -0.96 -0.26 119.26 119.94 1yac h ALA 47 Ca 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1yac h ALA 47 Cb 0.95 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1yac h ALA 47 CO 0.08 0.37 -0.09 -0.22 0.00 0.00 0.00 179.25 179.39 1yac h LYS 48 N 0.76 0.39 -0.33 0.00 1.63 -1.17 -1.35 116.57 116.49 1yac h LYS 48 Ca 0.18 -0.17 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1yac h LYS 48 Cb 0.27 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.85 1yac h LYS 48 CO -0.01 0.69 0.07 -0.92 -3.45 0.00 0.00 179.45 175.83 1yac h TYR 49 N 0.07 0.11 -0.10 1.91 3.20 -0.52 -1.58 116.97 120.07 1yac h TYR 49 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1yac h TYR 49 Cb 0.57 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1yac h TYR 49 CO 0.06 0.02 0.00 1.19 -1.64 0.00 0.00 178.16 177.80 1yac n PHE 50 N -5.09 0.13 -3.96 -3.82 3.72 -0.13 -4.92 117.46 103.39 1yac n PHE 50 Ca 0.01 -0.06 -0.30 0.00 -0.05 0.00 0.00 57.45 57.04 1yac n PHE 50 Cb 0.15 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.70 1yac n PHE 50 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1yac n ASN 51 N -0.24 -3.78 -4.78 4.37 5.03 -0.60 -4.94 115.26 110.31 1yac n ASN 51 Ca 0.09 -0.85 -0.39 0.00 0.87 0.00 0.00 54.58 54.30 1yac n ASN 51 Cb 0.13 -3.60 -0.06 0.00 -1.02 0.00 0.00 39.78 35.23 1yac n ASN 51 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1yac s LEU 52 N -7.20 4.56 0.14 3.41 1.43 -0.55 -4.98 118.68 115.50 1yac s LEU 52 Ca 0.56 1.53 -0.31 0.00 -1.03 0.00 0.00 54.13 54.88 1yac s LEU 52 Cb -0.29 -3.20 -0.11 0.00 0.03 0.00 0.00 46.19 42.63 1yac s LEU 52 CO 0.85 0.20 1.82 -2.84 0.23 0.00 0.00 176.35 176.61 1yac s PRO 53 N -0.98 4.13 -0.03 1.29 0.02 -1.26 -4.79 135.00 133.38 1yac s PRO 53 Ca 0.35 2.61 0.07 0.00 0.02 0.00 0.00 61.00 64.05 1yac s PRO 53 Cb -0.22 -3.53 -0.02 0.00 0.02 0.00 0.00 34.50 30.76 1yac s PRO 53 CO 0.24 -0.84 -0.25 0.99 -0.33 0.00 0.00 177.00 176.81 1yac s THR 54 N 2.54 2.02 -0.15 0.99 2.01 -1.26 -0.97 115.64 120.82 1yac s THR 54 Ca 0.80 -1.08 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1yac s THR 54 Cb -0.47 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1yac s THR 54 CO 0.36 0.57 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.02 1yac s ILE 55 N -0.49 2.19 -0.10 1.82 1.01 0.14 -3.93 121.20 121.85 1yac s ILE 55 Ca 0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1yac s ILE 55 Cb -0.11 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1yac s ILE 55 CO 0.00 0.54 0.09 -0.76 0.00 0.00 0.00 174.94 174.81 1yac s LEU 56 N 0.84 4.07 -0.03 2.97 1.43 -0.47 -1.13 118.68 126.37 1yac s LEU 56 Ca -0.06 0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1yac s LEU 56 Cb -0.15 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1yac s LEU 56 CO -0.02 0.39 0.29 0.28 0.23 0.00 0.00 176.35 177.51 1yac s THR 57 N -0.99 0.05 0.13 5.49 -1.32 -0.99 -1.18 115.64 116.82 1yac s THR 57 Ca 0.15 -0.44 0.02 0.00 -1.21 0.00 0.00 61.69 60.22 1yac s THR 57 Cb -0.12 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.26 1yac s THR 57 CO 0.04 -0.24 -0.05 0.42 -2.21 0.00 0.00 174.62 172.58 1yac s THR 58 N -1.12 0.77 -0.17 5.08 -4.23 -0.69 -1.24 115.64 114.04 1yac s THR 58 Ca -0.12 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1yac s THR 58 Cb -0.05 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1yac s THR 58 CO 0.03 -0.75 -0.18 -0.55 -0.54 0.00 0.00 174.62 172.63 1yac s SER 59 N -3.10 2.98 -1.50 3.99 0.15 -1.26 -0.60 113.70 114.36 1yac s SER 59 Ca 0.16 -0.59 -0.03 0.00 0.70 0.00 0.00 55.95 56.18 1yac s SER 59 Cb 0.05 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 1yac s SER 59 CO -0.02 -0.02 0.11 0.00 1.20 0.00 0.00 173.24 174.52 1yac n ALA 60 N 4.65 -2.07 0.34 5.45 0.00 -0.69 -4.80 120.51 123.38 1yac n ALA 60 Ca -0.20 -0.42 0.21 0.00 0.00 0.00 0.00 53.44 53.03 1yac n ALA 60 Cb 0.50 -1.05 1.12 0.00 0.00 0.00 0.00 19.45 20.02 1yac n ALA 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1yac h GLU 61 N -1.88 0.00 -2.97 0.00 4.11 -1.83 -3.13 114.58 108.88 1yac h GLU 61 Ca -0.66 0.00 -0.81 0.00 0.07 0.00 0.00 59.36 57.96 1yac h GLU 61 Cb 1.40 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.38 1yac h GLU 61 CO 0.68 0.00 0.90 0.25 0.07 0.00 0.00 179.01 180.91 1yac n THR 62 N -3.07 5.26 -3.61 -1.06 -2.24 -1.26 -3.47 114.28 104.83 1yac n THR 62 Ca -0.03 -5.80 0.00 0.00 -2.27 0.00 0.00 64.05 55.95 1yac n THR 62 Cb 0.15 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 1yac n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yac n GLY 63 N 1.46 0.60 0.41 3.38 0.00 -1.18 -5.00 105.19 104.85 1yac n GLY 63 Ca 0.27 -0.74 0.20 0.00 0.00 0.00 0.00 46.02 45.76 1yac n GLY 63 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yac h PRO 64 N 0.00 0.27 -0.80 1.61 0.11 -1.89 -1.74 132.00 129.57 1yac h PRO 64 Ca 0.00 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.23 1yac h PRO 64 Cb 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 30.99 1yac h PRO 64 CO 0.00 0.18 0.52 -0.91 -0.21 0.00 0.00 178.00 177.58 1yac h ASN 65 N 0.28 0.53 -4.08 -2.05 4.21 -1.87 -3.39 115.58 109.21 1yac h ASN 65 Ca 0.42 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.95 1yac h ASN 65 Cb 1.20 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.32 1yac h ASN 65 CO -0.11 0.28 0.00 0.61 -1.29 0.00 0.00 177.43 176.92 1yac n GLY 66 N -1.48 -1.60 3.82 2.83 0.00 -0.66 -0.81 105.19 107.30 1yac n GLY 66 Ca 0.15 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 1yac n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yac s PRO 67 N -1.83 2.52 0.45 1.61 0.04 -1.24 -4.38 135.00 132.16 1yac s PRO 67 Ca 0.00 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.50 1yac s PRO 67 Cb 0.00 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1yac s PRO 67 CO 0.00 -1.33 1.34 -1.17 0.04 0.00 0.00 177.00 175.88 1yac s LEU 68 N -5.62 4.11 0.19 -3.56 2.96 -1.26 -0.70 118.68 114.80 1yac s LEU 68 Ca 0.59 2.73 -0.33 0.00 -0.22 0.00 0.00 54.13 56.90 1yac s LEU 68 Cb -0.14 -4.00 -0.13 0.00 0.50 0.00 0.00 46.19 42.42 1yac s LEU 68 CO 0.54 -1.07 1.59 1.33 -1.32 0.00 0.00 176.35 177.42 1yac n VAL 69 N -0.20 0.15 -0.33 1.68 0.24 -0.73 -4.73 118.33 114.41 1yac n VAL 69 Ca 0.05 -0.04 0.24 0.00 -2.04 0.00 0.00 64.34 62.55 1yac n VAL 69 Cb 0.44 -1.65 0.46 0.00 -1.47 0.00 0.00 33.84 31.61 1yac n VAL 69 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1yac h PRO 70 N 5.88 0.18 -0.87 7.34 0.11 -1.93 -2.30 132.00 140.41 1yac h PRO 70 Ca -0.45 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1yac h PRO 70 Cb 1.24 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1yac h PRO 70 CO 0.89 0.12 0.56 0.93 -0.21 0.00 0.00 178.00 180.29 1yac h GLU 71 N 0.18 1.06 -0.39 1.05 3.07 -1.99 -0.64 114.58 116.93 1yac h GLU 71 Ca 0.73 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.39 1yac h GLU 71 Cb 1.71 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 29.37 1yac h GLU 71 CO -0.69 0.70 -0.26 -0.07 -1.40 0.00 0.00 179.01 177.29 1yac h LEU 72 N 1.09 0.90 -0.16 1.33 3.38 -1.78 -0.38 115.31 119.68 1yac h LEU 72 Ca 0.35 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1yac h LEU 72 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1yac h LEU 72 CO -0.12 1.13 0.10 0.50 0.09 0.00 0.00 178.44 180.15 1yac h LYS 73 N 0.66 0.22 -0.28 1.13 3.64 -1.49 -1.57 116.57 118.88 1yac h LYS 73 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1yac h LYS 73 Cb 0.83 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1yac h LYS 73 CO 0.07 0.18 -0.10 0.00 -2.27 0.00 0.00 179.45 177.33 1yac h ALA 74 N 1.03 1.30 0.00 5.00 0.00 -1.03 -3.09 119.26 122.46 1yac h ALA 74 Ca 0.06 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1yac h ALA 74 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1yac h ALA 74 CO -0.01 0.47 -0.79 0.37 0.00 0.00 0.00 179.25 179.28 1yac h GLN 75 N 0.44 0.00 -2.18 0.00 4.15 -0.73 -3.36 115.11 113.42 1yac h GLN 75 Ca 0.08 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 58.93 1yac h GLN 75 Cb 0.45 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.73 1yac h GLN 75 CO 0.02 0.79 -0.74 1.19 -1.93 0.00 0.00 178.83 178.16 1yac n PHE 76 N -3.50 2.93 0.28 3.99 3.72 -0.62 -4.92 117.46 119.34 1yac n PHE 76 Ca -0.00 -3.99 0.14 0.00 -0.05 0.00 0.00 57.45 53.56 1yac n PHE 76 Cb 0.79 -0.49 0.81 0.00 -0.94 0.00 0.00 39.48 39.65 1yac n PHE 76 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1yac h PRO 77 N 3.55 0.00 -0.07 -1.08 0.13 -1.71 -2.66 132.00 130.15 1yac h PRO 77 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1yac h PRO 77 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1yac h PRO 77 CO 0.75 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.35 1yac n ASP 78 N -3.59 2.55 -4.79 1.44 8.00 -1.26 -5.00 116.55 113.91 1yac n ASP 78 Ca -0.02 -1.75 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 1yac n ASP 78 Cb 0.20 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1yac n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yac s ALA 79 N -1.41 2.73 0.31 2.24 0.00 -1.01 -4.95 121.76 119.67 1yac s ALA 79 Ca 0.22 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 1yac s ALA 79 Cb 0.15 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.88 1yac s ALA 79 CO 0.22 -0.72 1.54 -2.14 0.00 0.00 0.00 175.76 174.66 1yac s PRO 80 N -3.67 4.15 -0.27 0.00 0.02 -1.25 -4.87 135.00 129.09 1yac s PRO 80 Ca 0.67 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 64.22 1yac s PRO 80 Cb -0.18 -3.02 0.08 0.00 0.02 0.00 0.00 34.50 31.40 1yac s PRO 80 CO 0.31 -0.57 0.04 -0.47 -0.33 0.00 0.00 177.00 175.98 1yac s TYR 81 N -0.30 2.05 -0.43 6.54 6.14 -1.25 -1.36 117.35 128.73 1yac s TYR 81 Ca 0.60 -1.76 -0.12 0.00 0.64 0.00 0.00 57.07 56.42 1yac s TYR 81 Cb -0.46 -1.72 0.06 0.00 0.42 0.00 0.00 41.96 40.25 1yac s TYR 81 CO 0.51 -0.81 0.30 0.42 0.64 0.00 0.00 175.55 176.61 1yac s ILE 82 N 1.50 4.78 -0.55 3.14 1.09 -0.33 -4.99 121.20 125.84 1yac s ILE 82 Ca 0.04 -1.09 -0.24 0.00 -1.10 0.00 0.00 60.65 58.26 1yac s ILE 82 Cb -0.18 -3.82 0.04 0.00 -1.06 0.00 0.00 42.46 37.45 1yac s ILE 82 CO -0.15 -0.46 0.92 0.00 -0.10 0.00 0.00 174.94 175.15 1yac s ALA 83 N 1.56 3.17 -0.14 9.38 0.00 -1.26 -1.70 121.76 132.77 1yac s ALA 83 Ca 0.03 -1.30 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 1yac s ALA 83 Cb -0.22 -3.72 -0.01 0.00 0.00 0.00 0.00 23.12 19.17 1yac s ALA 83 CO 0.06 -2.38 0.94 1.03 0.00 0.00 0.00 175.76 175.41 1yac s ARG 84 N 3.87 4.36 0.00 0.00 0.52 0.24 -4.94 118.95 122.99 1yac s ARG 84 Ca 0.29 1.24 0.29 0.00 -0.52 0.00 0.00 55.73 57.03 1yac s ARG 84 Cb -0.13 -3.56 1.29 0.00 0.52 0.00 0.00 34.95 33.06 1yac s ARG 84 CO 0.18 -0.35 1.91 -0.35 0.02 0.00 0.00 175.30 176.71 1yac n PRO 85 N 5.24 0.50 0.00 3.54 -0.05 -1.26 -1.70 135.00 141.26 1yac n PRO 85 Ca 0.07 -0.12 0.00 0.00 -0.05 0.00 0.00 63.50 63.41 1yac n PRO 85 Cb 0.48 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.44 1yac n PRO 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1yac n GLY 86 N 1.31 0.06 3.65 0.55 0.00 -1.26 -4.77 105.19 104.73 1yac n GLY 86 Ca 0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1yac n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yac s ASN 87 N -0.70 6.45 -0.03 1.61 0.02 -1.26 -4.90 114.94 116.12 1yac s ASN 87 Ca 0.00 2.21 -0.25 0.00 -1.02 0.00 0.00 52.86 53.80 1yac s ASN 87 Cb 0.00 -2.53 -0.20 0.00 0.02 0.00 0.00 41.25 38.54 1yac s ASN 87 CO 0.00 -1.11 1.16 0.40 0.02 0.00 0.00 177.10 177.56 1yac h ILE 88 N 5.84 1.27 -3.34 0.60 2.04 -1.98 -3.40 117.51 118.54 1yac h ILE 88 Ca -0.41 -1.19 -0.58 0.00 1.00 0.00 0.00 64.86 63.68 1yac h ILE 88 Cb 1.19 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 39.25 1yac h ILE 88 CO 0.96 0.29 0.79 0.21 0.00 0.00 0.00 178.15 180.40 1yac s ASN 89 N -5.65 6.88 0.54 1.72 2.47 -1.26 -4.76 114.94 114.88 1yac s ASN 89 Ca -0.15 0.97 0.27 0.00 0.42 0.00 0.00 52.86 54.36 1yac s ASN 89 Cb 0.01 -2.53 1.44 0.00 -1.45 0.00 0.00 41.25 38.72 1yac s ASN 89 CO 0.63 -0.86 1.98 0.00 -3.72 0.00 0.00 177.10 175.13 1yac h ALA 90 N 8.15 2.45 0.00 1.71 0.00 -1.88 0.42 119.26 130.11 1yac h ALA 90 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1yac h ALA 90 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1yac h ALA 90 CO 1.02 -0.68 0.00 2.35 0.00 0.00 0.00 179.25 181.94 1yac h TRP 91 N 0.00 0.00 0.00 0.00 2.91 -1.92 -1.53 115.95 115.42 1yac h TRP 91 Ca 0.25 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.27 1yac h TRP 91 Cb 1.06 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 1yac h TRP 91 CO 0.00 0.00 -0.06 -0.25 -1.03 0.00 0.00 178.44 177.10 1yac n ASP 92 N -3.06 0.12 -4.64 2.65 8.00 0.14 -4.70 116.55 115.06 1yac n ASP 92 Ca -0.01 0.42 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 1yac n ASP 92 Cb 0.20 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 1yac n ASP 92 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1yac s ASN 93 N -3.12 6.66 0.22 -2.24 3.84 -0.57 -4.97 114.94 114.76 1yac s ASN 93 Ca 0.13 0.81 -0.08 0.00 0.21 0.00 0.00 52.86 53.93 1yac s ASN 93 Cb 0.18 -2.36 0.21 0.00 -0.55 0.00 0.00 41.25 38.73 1yac s ASN 93 CO 0.56 -0.37 1.89 -0.33 -2.79 0.00 0.00 177.10 176.05 1yac h GLU 94 N 7.74 1.07 -0.77 0.43 5.08 -1.85 -2.24 114.58 124.05 1yac h GLU 94 Ca -0.27 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1yac h GLU 94 Cb 1.12 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 1yac h GLU 94 CO 0.79 0.71 0.36 -0.44 -1.00 0.00 0.00 179.01 179.43 1yac h ASP 95 N 1.11 1.02 0.37 1.42 3.32 -1.93 -0.37 116.42 121.36 1yac h ASP 95 Ca 0.31 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 1yac h ASP 95 Cb -0.09 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.20 1yac h ASP 95 CO -0.08 0.88 -0.18 0.15 -1.72 0.00 0.00 179.24 178.29 1yac h PHE 96 N 1.09 -0.46 -0.77 4.55 3.57 -1.70 -0.36 116.94 122.86 1yac h PHE 96 Ca 0.26 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1yac h PHE 96 Cb 0.14 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 1yac h PHE 96 CO 0.01 -0.28 0.42 0.28 -2.23 0.00 0.00 178.31 176.51 1yac h VAL 97 N -0.50 1.23 -0.94 1.41 2.07 -1.28 -1.05 116.25 117.19 1yac h VAL 97 Ca -0.05 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1yac h VAL 97 Cb 0.38 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1yac h VAL 97 CO 0.08 0.26 0.58 0.11 0.02 0.00 0.00 177.57 178.62 1yac h LYS 98 N 1.07 1.28 -0.22 1.57 1.57 -0.93 -0.58 116.57 120.33 1yac h LYS 98 Ca 0.27 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1yac h LYS 98 Cb 0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1yac h LYS 98 CO -0.04 0.89 0.03 0.00 -0.57 0.00 0.00 179.45 179.75 1yac h ALA 99 N 1.34 0.30 -0.39 3.86 0.00 -0.53 -0.40 119.26 123.43 1yac h ALA 99 Ca 0.34 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1yac h ALA 99 Cb -0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1yac h ALA 99 CO -0.07 -0.02 0.18 0.28 0.00 0.00 0.00 179.25 179.62 1yac h VAL 100 N 0.17 0.95 -0.05 0.00 2.07 -0.79 -2.17 116.25 116.43 1yac h VAL 100 Ca 0.07 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1yac h VAL 100 Cb 0.33 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1yac h VAL 100 CO 0.01 0.07 -0.35 0.11 0.02 0.00 0.00 177.57 177.42 1yac h LYS 101 N 0.36 0.10 0.00 1.57 1.57 -1.01 -2.79 116.57 116.37 1yac h LYS 101 Ca 0.17 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1yac h LYS 101 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1yac h LYS 101 CO -0.14 0.44 -0.12 0.00 -0.57 0.00 0.00 179.45 179.07 1yac h ALA 102 N 1.56 1.09 0.00 3.86 0.00 -0.42 -2.00 119.26 123.35 1yac h ALA 102 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1yac h ALA 102 Cb 0.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1yac h ALA 102 CO 0.05 0.14 -0.20 1.79 0.00 0.00 0.00 179.25 181.03 1yac h THR 103 N 0.00 1.10 0.00 0.00 1.35 -1.23 -3.46 112.91 110.67 1yac h THR 103 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1yac h THR 103 Cb 0.51 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1yac h THR 103 CO 0.02 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1yac n GLY 104 N -0.91 0.51 3.79 5.82 0.00 -0.75 -5.01 105.19 108.64 1yac n GLY 104 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1yac n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yac s LYS 105 N -0.28 4.26 0.06 1.61 -0.14 -1.26 -4.98 119.74 118.99 1yac s LYS 105 Ca 0.00 0.73 -0.03 0.00 -1.36 0.00 0.00 55.97 55.31 1yac s LYS 105 Cb 0.00 -3.29 -0.28 0.00 -1.68 0.00 0.00 37.83 32.59 1yac s LYS 105 CO 0.00 0.51 1.06 -0.22 -0.76 0.00 0.00 175.35 175.94 1yac h LYS 106 N 5.06 0.24 -5.69 1.68 3.11 -1.90 -3.46 116.57 115.62 1yac h LYS 106 Ca -0.48 -0.42 -0.61 0.00 -2.81 0.00 0.00 60.65 56.34 1yac h LYS 106 Cb 1.21 0.16 -0.08 0.00 -1.00 0.00 0.00 32.23 32.51 1yac h LYS 106 CO 0.66 1.16 -0.30 -0.65 -2.81 0.00 0.00 179.45 177.52 1yac s GLN 107 N -2.65 4.04 -0.17 1.90 -0.21 -0.18 -1.44 119.66 120.95 1yac s GLN 107 Ca -0.05 0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.52 1yac s GLN 107 Cb 0.07 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.78 1yac s GLN 107 CO 0.87 0.45 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.82 1yac s LEU 108 N -0.20 2.03 -0.36 2.90 1.43 0.10 -0.89 118.68 123.68 1yac s LEU 108 Ca 0.19 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 1yac s LEU 108 Cb -0.14 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 1yac s LEU 108 CO 0.07 -0.05 0.43 -0.63 0.23 0.00 0.00 176.35 176.40 1yac s ILE 109 N 1.38 5.10 -0.03 -0.59 1.01 0.18 -1.05 121.20 127.20 1yac s ILE 109 Ca 0.03 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.80 1yac s ILE 109 Cb -0.14 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1yac s ILE 109 CO -0.11 -0.21 -0.21 -0.63 0.00 0.00 0.00 174.94 173.78 1yac s ILE 110 N 2.17 2.45 0.03 2.92 1.01 0.07 -0.33 121.20 129.52 1yac s ILE 110 Ca 0.14 -0.97 -0.17 0.00 0.00 0.00 0.00 60.65 59.66 1yac s ILE 110 Cb -0.16 -1.90 0.03 0.00 0.01 0.00 0.00 42.46 40.44 1yac s ILE 110 CO 0.13 0.58 0.37 0.00 0.00 0.00 0.00 174.94 176.02 1yac s ALA 111 N -0.66 -0.90 0.00 9.38 0.00 -0.86 -1.04 121.76 127.68 1yac s ALA 111 Ca 0.11 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1yac s ALA 111 Cb -0.10 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1yac s ALA 111 CO -0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1yac n GLY 112 N 0.69 -1.41 2.86 0.00 0.00 -1.25 -0.94 105.19 105.15 1yac n GLY 112 Ca -0.19 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 1yac n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yac s VAL 113 N -2.86 -0.03 0.25 1.61 -7.23 -0.71 -2.10 120.40 109.33 1yac s VAL 113 Ca 0.00 0.10 -0.16 0.00 -1.81 0.00 0.00 61.98 60.12 1yac s VAL 113 Cb 0.00 -0.09 -0.08 0.00 0.56 0.00 0.00 36.38 36.77 1yac s VAL 113 CO 0.00 0.04 0.68 0.68 -0.31 0.00 0.00 175.10 176.19 1yac s VAL 114 N 0.54 4.70 0.38 1.32 -7.23 -1.26 -4.54 120.40 114.32 1yac s VAL 114 Ca -0.04 0.97 0.13 0.00 -1.81 0.00 0.00 61.98 61.23 1yac s VAL 114 Cb -0.06 -3.71 0.35 0.00 0.56 0.00 0.00 36.38 33.52 1yac s VAL 114 CO -0.02 0.01 1.86 0.71 -0.31 0.00 0.00 175.10 177.35 1yac h THR 115 N 2.33 0.75 -0.00 5.32 1.35 -1.37 -0.25 112.91 121.04 1yac h THR 115 Ca -0.48 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1yac h THR 115 Cb 1.18 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1yac h THR 115 CO 0.66 0.10 -0.07 -1.84 -0.25 0.00 0.00 175.52 174.12 1yac n GLU 116 N -4.55 0.17 0.00 4.72 0.00 -1.26 -0.91 120.64 118.81 1yac n GLU 116 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1yac n GLU 116 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1yac n GLU 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1yac n VAL 117 N -1.39 0.00 0.30 3.84 0.31 -0.70 -4.44 118.33 116.25 1yac n VAL 117 Ca 0.09 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.62 1yac n VAL 117 Cb 0.31 -0.87 0.93 0.00 -0.91 0.00 0.00 33.84 33.30 1yac n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yac n VAL 119 N -3.12 1.48 -0.23 0.00 0.31 -1.20 -4.49 118.33 111.08 1yac n VAL 119 Ca -0.01 -0.02 0.01 0.00 -0.01 0.00 0.00 64.34 64.31 1yac n VAL 119 Cb 0.20 -2.17 0.14 0.00 -0.91 0.00 0.00 33.84 31.10 1yac n VAL 119 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yac h ALA 120 N -0.95 0.94 0.49 3.52 0.00 -1.05 -0.96 119.26 121.25 1yac h ALA 120 Ca -0.22 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1yac h ALA 120 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yac h ALA 120 CO -0.13 -0.11 -0.24 0.74 0.00 0.00 0.00 179.25 179.51 1yac h PHE 121 N 0.53 -0.61 -0.06 0.00 -1.00 -1.47 -0.08 116.94 114.25 1yac h PHE 121 Ca 0.35 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.04 1yac h PHE 121 Cb 0.40 0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.15 1yac h PHE 121 CO -0.13 -0.34 -0.29 -1.00 -1.61 0.00 0.00 178.31 174.94 1yac h PRO 122 N -0.76 0.11 -0.29 1.51 0.13 -1.73 -1.32 132.00 129.66 1yac h PRO 122 Ca -0.07 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1yac h PRO 122 Cb 0.55 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1yac h PRO 122 CO 0.11 0.40 0.15 0.00 -0.23 0.00 0.00 178.00 178.43 1yac h ALA 123 N 1.61 0.37 -0.69 -0.56 0.00 -0.92 0.14 119.26 119.20 1yac h ALA 123 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1yac h ALA 123 Cb 0.57 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1yac h ALA 123 CO 0.04 -0.10 0.15 -0.07 0.00 0.00 0.00 179.25 179.27 1yac h LEU 124 N 0.34 1.05 -0.39 0.00 3.38 -0.69 -0.59 115.31 118.41 1yac h LEU 124 Ca 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1yac h LEU 124 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1yac h LEU 124 CO -0.02 1.02 0.15 0.28 0.09 0.00 0.00 178.44 179.96 1yac h SER 125 N 1.05 0.55 -0.72 -0.43 0.02 -0.97 -2.25 113.55 110.79 1yac h SER 125 Ca 0.21 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 1yac h SER 125 Cb 0.39 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1yac h SER 125 CO 0.01 0.57 0.23 0.00 -1.14 0.00 0.00 176.83 176.50 1yac h ALA 126 N 1.00 1.02 -0.68 3.77 0.00 -0.39 -1.80 119.26 122.19 1yac h ALA 126 Ca 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1yac h ALA 126 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1yac h ALA 126 CO -0.01 0.66 0.30 0.82 0.00 0.00 0.00 179.25 181.02 1yac h ILE 127 N 1.09 1.23 -0.73 0.00 2.04 -0.99 -1.64 117.51 118.51 1yac h ILE 127 Ca 0.24 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1yac h ILE 127 Cb 0.30 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1yac h ILE 127 CO -0.01 0.28 0.42 -0.08 0.00 0.00 0.00 178.15 178.76 1yac h GLU 128 N 0.95 1.00 0.00 2.37 4.81 -0.90 -1.36 114.58 121.46 1yac h GLU 128 Ca 0.23 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1yac h GLU 128 Cb 0.16 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1yac h GLU 128 CO -0.02 0.72 0.00 0.39 -0.73 0.00 0.00 179.01 179.37 1yac n GLU 129 N -4.37 0.45 0.00 1.92 1.02 -0.70 -4.88 120.64 114.08 1yac n GLU 129 Ca 0.07 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1yac n GLU 129 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1yac n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yac n GLY 130 N 0.58 0.53 3.82 0.62 0.00 -0.51 -5.08 105.19 105.16 1yac n GLY 130 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1yac n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yac s PHE 131 N -2.00 3.22 -0.40 1.61 0.08 -0.72 -5.00 117.98 114.77 1yac s PHE 131 Ca 0.00 1.46 -0.17 0.00 0.12 0.00 0.00 56.93 58.33 1yac s PHE 131 Cb 0.00 -2.89 0.01 0.00 -0.57 0.00 0.00 43.02 39.57 1yac s PHE 131 CO 0.00 -0.87 0.46 -0.51 -0.10 0.00 0.00 175.22 174.20 1yac s ASP 132 N -3.21 6.22 -0.19 1.36 1.01 -0.52 -4.44 116.67 116.90 1yac s ASP 132 Ca 0.60 -0.46 -0.09 0.00 0.71 0.00 0.00 52.55 53.30 1yac s ASP 132 Cb -0.13 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1yac s ASP 132 CO 0.40 -0.54 0.13 -0.69 0.21 0.00 0.00 175.17 174.68 1yac s VAL 133 N 2.23 5.40 -0.19 -1.27 1.01 -1.26 -0.72 120.40 125.59 1yac s VAL 133 Ca 0.14 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1yac s VAL 133 Cb -0.16 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.81 1yac s VAL 133 CO 0.14 0.47 -0.11 -0.36 0.00 0.00 0.00 175.10 175.23 1yac s PHE 134 N 0.17 2.39 -0.17 5.22 0.40 -0.22 -1.09 117.98 124.69 1yac s PHE 134 Ca 0.09 -1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 54.74 1yac s PHE 134 Cb -0.11 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 1yac s PHE 134 CO -0.01 -0.73 0.29 0.08 0.70 0.00 0.00 175.22 175.54 1yac s VAL 135 N 1.41 5.31 -0.84 -0.44 1.01 -0.21 -0.75 120.40 125.88 1yac s VAL 135 Ca -0.00 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 1yac s VAL 135 Cb -0.16 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.74 1yac s VAL 135 CO -0.09 0.38 0.98 -0.69 0.00 0.00 0.00 175.10 175.69 1yac s VAL 136 N 0.51 4.89 0.41 2.92 1.01 -0.20 -0.60 120.40 129.33 1yac s VAL 136 Ca 0.16 -1.58 0.24 0.00 0.00 0.00 0.00 61.98 60.80 1yac s VAL 136 Cb -0.13 -4.67 0.26 0.00 0.00 0.00 0.00 36.38 31.84 1yac s VAL 136 CO 0.04 -1.36 2.04 0.71 0.00 0.00 0.00 175.10 176.53 1yac h THR 137 N 5.64 0.69 -0.02 3.92 1.35 -1.23 -2.64 112.91 120.63 1yac h THR 137 Ca 0.05 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1yac h THR 137 Cb 1.04 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1yac h THR 137 CO 1.04 0.14 -0.02 -0.90 -0.25 0.00 0.00 175.52 175.53 1yac n ASP 138 N -3.76 1.77 -0.25 5.36 5.75 -1.26 -3.65 116.55 120.50 1yac n ASP 138 Ca -0.02 -1.56 0.03 0.00 -0.01 0.00 0.00 54.79 53.23 1yac n ASP 138 Cb 0.25 0.01 0.08 0.00 -1.03 0.00 0.00 41.12 40.44 1yac n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yac n ALA 139 N 0.36 2.15 -2.61 2.12 0.00 -1.02 -4.71 120.51 116.81 1yac n ALA 139 Ca 0.18 -1.33 -0.32 0.00 0.00 0.00 0.00 53.44 51.97 1yac n ALA 139 Cb 0.40 -0.22 -0.16 0.00 0.00 0.00 0.00 19.45 19.48 1yac n ALA 139 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yac s SER 140 N -1.29 3.30 0.13 0.00 0.01 -1.10 -3.76 113.70 111.00 1yac s SER 140 Ca 0.13 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 57.03 1yac s SER 140 Cb 0.09 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1yac s SER 140 CO 0.05 0.28 -0.17 -0.83 0.41 0.00 0.00 173.24 172.98 1yac s GLY 141 N -0.34 1.21 0.10 3.44 0.00 -0.89 -4.88 107.32 105.96 1yac s GLY 141 Ca 0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.38 1yac s GLY 141 CO 0.02 -1.39 0.15 -0.37 0.00 0.00 0.00 173.10 171.52 1yac n THR 142 N 0.57 0.00 0.02 0.90 5.66 -1.26 -1.36 114.28 118.81 1yac n THR 142 Ca -0.16 -0.43 -0.12 0.00 -3.05 0.00 0.00 64.05 60.30 1yac n THR 142 Cb 0.56 0.29 -0.07 0.00 -1.55 0.00 0.00 70.33 69.57 1yac n THR 142 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1yac h PHE 143 N 1.27 0.06 -2.60 1.09 0.04 -1.95 0.90 116.94 115.75 1yac h PHE 143 Ca -0.08 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1yac h PHE 143 Cb 0.33 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1yac h PHE 143 CO 0.00 0.09 0.22 0.27 -0.60 0.00 0.00 178.31 178.29 1yac n ASN 144 N -5.03 -1.49 0.23 2.17 0.23 -1.26 -3.62 115.26 106.48 1yac n ASN 144 Ca -0.06 -2.00 0.08 0.00 -0.53 0.00 0.00 54.58 52.06 1yac n ASN 144 Cb 0.06 2.47 0.53 0.00 -2.08 0.00 0.00 39.78 40.76 1yac n ASN 144 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1yac h GLU 145 N 0.00 0.00 -0.08 -3.83 5.08 -1.92 -1.95 114.58 111.89 1yac h GLU 145 Ca -0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1yac h GLU 145 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1yac h GLU 145 CO 0.28 0.23 -0.15 0.82 -1.00 0.00 0.00 179.01 179.19 1yac h ILE 146 N 0.00 1.40 -0.34 3.13 2.04 -1.98 0.15 117.51 121.91 1yac h ILE 146 Ca -0.00 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 1yac h ILE 146 Cb 0.50 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 1yac h ILE 146 CO 0.03 0.40 -0.00 0.71 0.00 0.00 0.00 178.15 179.29 1yac h THR 147 N -0.23 1.20 0.41 -0.27 1.35 -1.94 -1.32 112.91 112.10 1yac h THR 147 Ca 0.00 -0.77 -0.02 0.00 -0.55 0.00 0.00 66.41 65.07 1yac h THR 147 Cb 0.73 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1yac h THR 147 CO 0.03 0.27 -0.20 -0.09 -0.25 0.00 0.00 175.52 175.28 1yac h ARG 148 N 0.50 -0.53 -0.25 4.72 2.43 -1.27 -2.89 114.38 117.08 1yac h ARG 148 Ca 0.11 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 1yac h ARG 148 Cb 0.32 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1yac h ARG 148 CO 0.01 -0.24 0.05 0.45 -1.51 0.00 0.00 179.97 178.73 1yac h HIS 149 N -1.03 0.36 -0.56 2.20 3.86 -0.67 -0.46 115.15 118.84 1yac h HIS 149 Ca -0.06 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 1yac h HIS 149 Cb 0.53 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 1yac h HIS 149 CO 0.02 0.33 0.17 0.77 0.86 0.00 0.00 177.93 180.08 1yac h SER 150 N 0.36 0.82 -0.53 2.45 0.02 -1.33 -1.30 113.55 114.05 1yac h SER 150 Ca 0.09 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1yac h SER 150 Cb 0.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1yac h SER 150 CO -0.00 0.81 0.15 0.00 -1.14 0.00 0.00 176.83 176.65 1yac h ALA 151 N 1.04 0.69 -0.42 3.77 0.00 -1.02 -1.03 119.26 122.30 1yac h ALA 151 Ca 0.18 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1yac h ALA 151 Cb 0.29 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1yac h ALA 151 CO -0.01 0.37 0.15 -1.49 0.00 0.00 0.00 179.25 178.28 1yac h TRP 152 N 0.73 0.26 -0.22 0.00 4.06 -0.92 0.12 115.95 119.99 1yac h TRP 152 Ca 0.17 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.16 1yac h TRP 152 Cb 0.31 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1yac h TRP 152 CO 0.02 0.10 0.07 0.22 -3.56 0.00 0.00 178.44 175.29 1yac h ASP 153 N 0.31 0.07 -0.40 -3.49 1.82 -0.86 0.13 116.42 114.01 1yac h ASP 153 Ca 0.19 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1yac h ASP 153 Cb 0.18 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1yac h ASP 153 CO -0.20 0.07 0.22 -0.09 -1.61 0.00 0.00 179.24 177.63 1yac h ARG 154 N 0.17 0.56 -0.35 0.28 2.43 -0.68 -0.12 114.38 116.66 1yac h ARG 154 Ca 0.09 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1yac h ARG 154 Cb 0.07 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1yac h ARG 154 CO -0.10 0.45 -0.08 0.52 -1.51 0.00 0.00 179.97 179.24 1yac h MET 155 N 0.51 0.67 -0.65 0.20 2.86 -0.58 -2.66 114.93 115.29 1yac h MET 155 Ca 0.14 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1yac h MET 155 Cb 0.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1yac h MET 155 CO -0.02 0.83 0.16 1.03 1.06 0.00 0.00 176.91 179.97 1yac h SER 156 N 0.46 0.98 -0.82 1.22 0.87 -0.64 -1.05 113.55 114.57 1yac h SER 156 Ca 0.09 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1yac h SER 156 Cb 0.58 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 1yac h SER 156 CO 0.03 0.95 0.53 -0.61 -0.53 0.00 0.00 176.83 177.21 1yac h GLN 157 N 0.95 0.80 0.00 2.24 4.15 -0.95 -0.44 115.11 121.87 1yac h GLN 157 Ca 0.20 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1yac h GLN 157 Cb 0.36 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1yac h GLN 157 CO 0.00 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.43 1yac h ALA 158 N 1.57 1.00 0.00 3.38 0.00 -1.07 -3.47 119.26 120.68 1yac h ALA 158 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yac h ALA 158 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yac h ALA 158 CO -0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1yac n GLY 159 N 1.17 0.97 3.77 0.00 0.00 -0.17 -5.01 105.19 105.91 1yac n GLY 159 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1yac n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yac s ALA 160 N -2.00 2.96 -0.27 4.61 0.00 -0.44 -4.81 121.76 121.81 1yac s ALA 160 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 1yac s ALA 160 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1yac s ALA 160 CO 0.00 -0.68 0.27 -0.65 0.00 0.00 0.00 175.76 174.70 1yac s GLN 161 N -2.72 4.01 -0.28 0.00 -0.21 -0.25 -4.34 119.66 115.87 1yac s GLN 161 Ca 0.64 -0.14 -0.25 0.00 0.02 0.00 0.00 55.36 55.63 1yac s GLN 161 Cb -0.29 -3.63 -0.00 0.00 1.00 0.00 0.00 33.01 30.09 1yac s GLN 161 CO 0.35 -0.17 0.84 -0.51 -2.12 0.00 0.00 175.29 173.67 1yac s LEU 162 N 1.75 4.07 0.33 2.90 1.43 -1.26 -1.04 118.68 126.85 1yac s LEU 162 Ca 0.11 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1yac s LEU 162 Cb -0.15 -3.18 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1yac s LEU 162 CO 0.10 -0.59 0.10 -0.04 0.23 0.00 0.00 176.35 176.14 1yac s MET 163 N 2.97 1.67 0.13 1.70 -1.94 0.23 -4.95 119.30 119.11 1yac s MET 163 Ca 0.35 -1.95 0.05 0.00 -1.71 0.00 0.00 55.69 52.43 1yac s MET 163 Cb -0.14 -0.57 -0.04 0.00 2.01 0.00 0.00 34.83 36.09 1yac s MET 163 CO 0.10 -0.33 -0.13 0.95 -0.01 0.00 0.00 175.02 175.61 1yac s THR 164 N -3.41 1.27 0.26 2.05 -4.23 -1.26 -0.71 115.64 109.61 1yac s THR 164 Ca 0.33 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1yac s THR 164 Cb 0.06 -1.62 0.25 0.00 1.34 0.00 0.00 72.50 72.53 1yac s THR 164 CO 0.15 -0.52 1.72 4.11 -0.54 0.00 0.00 174.62 179.53 1yac h TRP 165 N 3.28 0.56 -0.60 3.99 5.08 -1.93 -0.14 115.95 126.20 1yac h TRP 165 Ca -0.39 0.04 -0.06 0.00 1.08 0.00 0.00 58.89 59.57 1yac h TRP 165 Cb 1.20 -0.12 -0.02 0.00 -3.00 0.00 0.00 29.16 27.21 1yac h TRP 165 CO 0.65 0.02 0.15 0.35 -1.28 0.00 0.00 178.44 178.34 1yac h PHE 166 N 0.43 0.99 -0.71 0.12 3.57 -1.98 -0.52 116.94 118.85 1yac h PHE 166 Ca 0.47 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 1yac h PHE 166 Cb 0.78 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1yac h PHE 166 CO -0.16 0.84 0.28 0.78 -2.23 0.00 0.00 178.31 177.82 1yac h GLY 167 N 0.86 1.14 0.86 2.40 0.00 -1.67 -1.04 103.07 105.62 1yac h GLY 167 Ca 0.19 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1yac h GLY 167 CO 0.00 0.58 0.11 -2.08 0.00 0.00 0.00 176.54 175.15 1yac h VAL 168 N 1.01 0.97 -0.56 4.60 2.07 -0.56 -0.26 116.25 123.52 1yac h VAL 168 Ca 0.24 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1yac h VAL 168 Cb 0.21 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1yac h VAL 168 CO -0.02 0.04 0.36 0.00 0.02 0.00 0.00 177.57 177.98 1yac h ALA 169 N 1.14 0.71 -0.27 1.67 0.00 -0.72 -1.46 119.26 120.32 1yac h ALA 169 Ca 0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1yac h ALA 169 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1yac h ALA 169 CO -0.08 0.16 -0.35 0.00 0.00 0.00 0.00 179.25 178.98 1yac h GLU 171 N 0.51 0.51 -0.16 0.00 4.81 -0.81 -1.80 114.58 117.64 1yac h GLU 171 Ca 0.05 -0.32 -0.11 0.00 -0.13 0.00 0.00 59.36 58.85 1yac h GLU 171 Cb 0.84 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1yac h GLU 171 CO 0.07 0.93 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.87 1yac h LEU 172 N 0.40 0.57 -0.37 1.64 3.38 -1.15 -3.34 115.31 116.44 1yac h LEU 172 Ca 0.01 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.33 1yac h LEU 172 Cb 1.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1yac h LEU 172 CO 0.10 1.02 -0.11 -0.74 0.09 0.00 0.00 178.44 178.80 1yac h HIS 173 N 0.14 0.83 0.00 1.13 2.76 -1.10 -3.40 115.15 115.51 1yac h HIS 173 Ca 0.00 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1yac h HIS 173 Cb 0.93 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1yac h HIS 173 CO 0.10 0.89 0.00 0.54 -1.30 0.00 0.00 177.93 178.16 1yac n ARG 174 N -4.35 0.00 -3.91 5.26 5.12 -0.68 -4.74 116.66 113.35 1yac n ARG 174 Ca -0.02 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.73 1yac n ARG 174 Cb 0.37 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.50 1yac n ARG 174 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1yac s ASP 175 N 0.00 0.50 0.19 0.55 -1.08 -1.26 -5.04 116.67 110.52 1yac s ASP 175 Ca 0.00 -0.02 -0.12 0.00 -0.52 0.00 0.00 52.55 51.88 1yac s ASP 175 Cb 0.00 -0.22 0.17 0.00 -1.46 0.00 0.00 42.92 41.41 1yac s ASP 175 CO 0.00 -0.11 1.76 -0.50 0.52 0.00 0.00 175.17 176.84 1yac h TRP 176 N 7.35 0.37 0.00 -5.34 4.06 -1.94 -2.38 115.95 118.06 1yac h TRP 176 Ca -0.40 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.57 1yac h TRP 176 Cb 1.13 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.20 1yac h TRP 176 CO 0.50 0.14 0.25 0.00 -3.56 0.00 0.00 178.44 175.77 1yac h ARG 177 N 0.40 0.00 0.00 0.49 3.08 -1.96 -0.36 114.38 116.03 1yac h ARG 177 Ca 0.24 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.26 1yac h ARG 177 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1yac h ARG 177 CO -0.22 0.00 -0.15 -0.91 -1.07 0.00 0.00 179.97 177.61 1yac h ASN 178 N 0.00 0.00 0.00 7.04 2.35 -1.78 -3.40 115.58 119.79 1yac h ASN 178 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1yac h ASN 178 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1yac h ASN 178 CO 0.00 0.15 0.00 -0.67 -1.65 0.00 0.00 177.43 175.26 1yac n ASP 179 N -4.00 0.00 0.32 5.81 2.03 -0.24 -5.08 116.55 115.40 1yac n ASP 179 Ca -0.02 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.12 1yac n ASP 179 Cb 0.24 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.55 1yac n ASP 179 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1yac h ILE 180 N 0.00 0.43 -1.00 5.18 2.04 -1.54 -2.87 117.51 119.75 1yac h ILE 180 Ca 0.00 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1yac h ILE 180 Cb 0.00 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 1yac h ILE 180 CO 0.00 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.78 1yac h ALA 181 N -0.35 1.48 0.22 1.87 0.00 -1.98 -0.21 119.26 120.29 1yac h ALA 181 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1yac h ALA 181 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yac h ALA 181 CO 0.13 0.26 -0.11 0.78 0.00 0.00 0.00 179.25 180.31 1yac h GLY 182 N 1.02 -0.31 1.06 0.00 0.00 -1.94 -0.65 103.07 102.25 1yac h GLY 182 Ca 0.48 0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.86 1yac h GLY 182 CO -0.25 -0.11 0.18 -2.00 0.00 0.00 0.00 176.54 174.36 1yac h LEU 183 N -0.49 1.08 -1.14 3.11 5.85 -1.29 -2.08 115.31 120.35 1yac h LEU 183 Ca -0.03 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1yac h LEU 183 Cb 0.37 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1yac h LEU 183 CO 0.05 1.03 0.57 0.00 -0.34 0.00 0.00 178.44 179.75 1yac h ALA 184 N 1.09 1.37 -0.38 1.25 0.00 -0.93 -0.67 119.26 121.00 1yac h ALA 184 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1yac h ALA 184 Cb 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yac h ALA 184 CO 0.00 0.58 -0.13 1.15 0.00 0.00 0.00 179.25 180.85 1yac h THR 185 N 1.18 1.28 -0.15 0.00 2.02 -0.75 0.20 112.91 116.69 1yac h THR 185 Ca 0.32 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1yac h THR 185 Cb -0.13 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1yac h THR 185 CO -0.07 0.41 0.05 0.25 0.37 0.00 0.00 175.52 176.53 1yac h LEU 186 N 0.55 0.06 -0.39 2.58 5.85 -0.70 0.00 115.31 123.27 1yac h LEU 186 Ca 0.09 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1yac h LEU 186 Cb 0.66 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1yac h LEU 186 CO 0.05 0.06 0.16 -0.26 -0.34 0.00 0.00 178.44 178.10 1yac h PHE 187 N 0.12 0.58 -0.72 1.25 0.04 -0.98 -2.50 116.94 114.74 1yac h PHE 187 Ca 0.06 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1yac h PHE 187 Cb 0.04 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 37.98 1yac h PHE 187 CO -0.11 0.51 0.39 1.03 -0.60 0.00 0.00 178.31 179.54 1yac h SER 188 N 0.48 0.88 1.42 2.17 0.87 -0.33 0.80 113.55 119.84 1yac h SER 188 Ca 0.13 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1yac h SER 188 Cb 0.17 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1yac h SER 188 CO -0.01 0.71 -0.00 0.78 -0.53 0.00 0.00 176.83 177.78 1yac h ASN 189 N 1.00 0.00 0.00 6.23 2.35 -0.75 -3.34 115.58 121.07 1yac h ASN 189 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1yac h ASN 189 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1yac h ASN 189 CO -0.04 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.15 1yac n HIS 190 N -3.10 0.00 -3.54 1.19 8.25 -0.85 -4.92 115.22 112.25 1yac n HIS 190 Ca 0.02 -0.20 -0.29 0.00 -0.26 0.00 0.00 57.72 56.98 1yac n HIS 190 Cb 0.40 -0.02 -0.13 0.00 1.12 0.00 0.00 29.99 31.35 1yac n HIS 190 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1yac s ILE 191 N -0.41 0.25 0.35 1.59 1.01 0.22 -4.95 121.20 119.26 1yac s ILE 191 Ca 0.00 -1.42 0.12 0.00 0.00 0.00 0.00 60.65 59.36 1yac s ILE 191 Cb 0.00 -1.20 0.34 0.00 0.01 0.00 0.00 42.46 41.61 1yac s ILE 191 CO 0.00 -0.86 1.75 -0.65 0.00 0.00 0.00 174.94 175.18 1yac h PRO 192 N 7.59 0.52 -0.70 2.79 0.11 -1.84 -0.43 132.00 140.04 1yac h PRO 192 Ca -0.06 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 1yac h PRO 192 Cb 0.98 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.95 1yac h PRO 192 CO 0.37 0.34 0.15 -0.44 -0.21 0.00 0.00 178.00 178.21 1yac h ASP 193 N 0.54 1.08 -0.33 -2.05 3.32 -1.95 -1.28 116.42 115.74 1yac h ASP 193 Ca 0.62 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.30 1yac h ASP 193 Cb 1.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1yac h ASP 193 CO -0.39 1.04 -0.27 0.22 -1.72 0.00 0.00 179.24 178.12 1yac h TYR 194 N 1.07 0.90 -0.96 4.55 3.20 -1.46 -2.34 116.97 121.93 1yac h TYR 194 Ca 0.22 -0.26 0.09 0.00 3.14 0.00 0.00 58.73 61.92 1yac h TYR 194 Cb 0.40 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 1yac h TYR 194 CO 0.03 1.01 0.60 -0.09 -1.64 0.00 0.00 178.16 178.08 1yac h ARG 195 N 0.54 1.00 -0.59 1.82 2.43 -0.93 -0.57 114.38 118.07 1yac h ARG 195 Ca 0.06 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1yac h ARG 195 Cb 0.83 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1yac h ARG 195 CO 0.07 0.66 0.10 -0.91 -1.51 0.00 0.00 179.97 178.39 1yac h ASN 196 N 1.03 0.90 -0.62 -3.80 2.35 -0.99 -0.01 115.58 114.44 1yac h ASN 196 Ca 0.44 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1yac h ASN 196 Cb 0.31 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1yac h ASN 196 CO -0.22 0.90 0.21 -0.07 -1.65 0.00 0.00 177.43 176.61 1yac h LEU 197 N 0.90 0.88 -0.37 1.61 4.07 -0.76 -1.72 115.31 119.91 1yac h LEU 197 Ca 0.19 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1yac h LEU 197 Cb 0.38 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1yac h LEU 197 CO 0.01 0.84 0.09 -0.03 -1.08 0.00 0.00 178.44 178.26 1yac h MET 198 N 0.87 0.60 -0.07 1.13 4.05 -0.59 -1.28 114.93 119.65 1yac h MET 198 Ca 0.20 -0.14 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 1yac h MET 198 Cb 0.26 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1yac h MET 198 CO -0.01 0.64 -0.00 1.15 0.23 0.00 0.00 176.91 178.91 1yac h THR 199 N 0.46 0.95 -0.34 -0.77 2.02 -0.75 0.19 112.91 114.67 1yac h THR 199 Ca 0.12 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1yac h THR 199 Cb 0.31 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1yac h THR 199 CO 0.00 0.00 0.17 0.28 0.37 0.00 0.00 175.52 176.35 1yac h SER 200 N 0.02 0.43 -0.23 4.18 0.02 -1.23 -1.41 113.55 115.34 1yac h SER 200 Ca 0.03 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1yac h SER 200 Cb 0.04 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1yac h SER 200 CO -0.06 0.42 0.14 0.22 -1.14 0.00 0.00 176.83 176.41 1yac h TYR 201 N 0.41 0.30 -0.34 3.45 3.20 -0.96 -2.46 116.97 120.58 1yac h TYR 201 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1yac h TYR 201 Cb 0.10 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1yac h TYR 201 CO -0.02 0.23 0.17 -0.44 -1.64 0.00 0.00 178.16 176.45 1yac h ASP 202 N 0.28 0.44 0.31 -2.11 3.32 -0.51 -1.12 116.42 117.03 1yac h ASP 202 Ca 0.08 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1yac h ASP 202 Cb 0.02 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1yac h ASP 202 CO -0.02 0.43 -0.24 0.71 -1.72 0.00 0.00 179.24 178.41 1yac h THR 203 N 0.41 1.04 0.07 0.35 1.35 -1.20 -2.95 112.91 111.99 1yac h THR 203 Ca 0.12 -0.85 -0.25 0.00 -0.55 0.00 0.00 66.41 64.88 1yac h THR 203 Cb 0.11 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 1yac h THR 203 CO -0.02 0.23 -1.15 -0.07 -0.25 0.00 0.00 175.52 174.27 1yac h LEU 204 N 0.00 0.24 -1.93 3.87 3.38 -1.14 -3.52 115.31 116.22 1yac h LEU 204 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1yac h LEU 204 Cb 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1yac h LEU 204 CO 0.03 1.20 0.00 0.35 0.09 0.00 0.00 178.44 180.11