#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y30 s PHE 6 N 0.00 3.49 -0.27 3.52 2.99 -1.26 -5.04 117.98 121.41 1y30 s PHE 6 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 56.93 56.92 1y30 s PHE 6 Cb 0.00 -1.83 -0.00 0.00 0.00 0.00 0.00 43.02 41.18 1y30 s PHE 6 CO 0.00 0.20 1.33 0.34 -0.00 0.00 0.00 175.22 177.09 1y30 s ASP 7 N -3.94 6.68 0.43 1.36 -1.08 -1.26 -4.89 116.67 113.96 1y30 s ASP 7 Ca 0.39 1.32 0.16 0.00 -0.52 0.00 0.00 52.55 53.89 1y30 s ASP 7 Cb -0.10 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.88 1y30 s ASP 7 CO 0.34 -1.06 1.92 0.44 0.52 0.00 0.00 175.17 177.33 1y30 h ASP 8 N 9.30 0.39 -0.20 -0.34 3.45 -1.99 0.13 116.42 127.16 1y30 h ASP 8 Ca -0.27 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.17 1y30 h ASP 8 Cb 1.10 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.80 1y30 h ASP 8 CO 1.02 0.20 -0.00 0.11 -1.57 0.00 0.00 179.24 179.00 1y30 h LYS 9 N 0.41 0.48 -0.04 3.56 1.57 -1.98 -0.62 116.57 119.96 1y30 h LYS 9 Ca 0.37 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.85 1y30 h LYS 9 Cb 0.85 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1y30 h LYS 9 CO -0.12 0.51 -0.83 -0.07 -0.57 0.00 0.00 179.45 178.38 1y30 h LEU 10 N 0.47 0.45 -0.63 2.94 3.38 -1.15 -3.11 115.31 117.66 1y30 h LEU 10 Ca 0.10 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 1y30 h LEU 10 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1y30 h LEU 10 CO 0.01 1.10 -0.50 -0.07 0.09 0.00 0.00 178.44 179.06 1y30 h LEU 11 N 0.23 0.52 -1.25 1.67 3.38 -0.93 -2.81 115.31 116.10 1y30 h LEU 11 Ca -0.05 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.70 1y30 h LEU 11 Cb 1.43 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1y30 h LEU 11 CO 0.14 0.93 0.52 0.00 0.09 0.00 0.00 178.44 180.12 1y30 h ALA 12 N 1.08 1.53 -0.20 1.53 0.00 -1.10 -0.56 119.26 121.54 1y30 h ALA 12 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1y30 h ALA 12 Cb 1.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1y30 h ALA 12 CO 0.09 0.39 0.10 0.28 0.00 0.00 0.00 179.25 180.11 1y30 h VAL 13 N 0.97 1.12 -0.84 0.00 2.07 -1.43 -0.71 116.25 117.43 1y30 h VAL 13 Ca 0.32 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1y30 h VAL 13 Cb 0.06 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1y30 h VAL 13 CO -0.09 0.12 0.43 0.40 0.02 0.00 0.00 177.57 178.45 1y30 h ILE 14 N 0.21 1.25 0.00 4.57 2.04 -1.23 -2.51 117.51 121.84 1y30 h ILE 14 Ca 0.07 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1y30 h ILE 14 Cb 0.10 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1y30 h ILE 14 CO -0.01 0.29 0.00 0.77 0.00 0.00 0.00 178.15 179.20 1y30 h SER 15 N 1.18 0.00 -0.05 1.72 4.64 -0.85 -2.94 113.55 117.25 1y30 h SER 15 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1y30 h SER 15 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1y30 h SER 15 CO -0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 1y30 n GLY 16 N 0.44 0.05 3.54 -0.77 0.00 -0.30 -4.93 105.19 103.23 1y30 n GLY 16 Ca 0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 1y30 n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y30 s ASN 17 N -1.90 2.94 0.00 1.61 3.04 -1.11 -5.07 114.94 114.45 1y30 s ASN 17 Ca 0.37 -1.59 0.00 0.00 0.04 0.00 0.00 52.86 51.68 1y30 s ASN 17 Cb 0.20 0.34 0.00 0.00 -1.54 0.00 0.00 41.25 40.25 1y30 s ASN 17 CO 0.32 -0.83 0.01 -1.54 -3.04 0.00 0.00 177.10 172.02 1y30 n SER 18 N -1.14 0.02 -4.13 -4.21 3.41 -1.26 -4.96 113.62 101.36 1y30 n SER 18 Ca -0.07 -0.61 -0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1y30 n SER 18 Cb 0.66 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.51 1y30 n SER 18 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1y30 s ILE 19 N -0.02 0.84 0.33 -1.33 -4.36 -1.26 -0.58 121.20 114.83 1y30 s ILE 19 Ca 0.00 -1.29 -0.17 0.00 -0.26 0.00 0.00 60.65 58.93 1y30 s ILE 19 Cb 0.00 -0.95 0.06 0.00 1.25 0.00 0.00 42.46 42.82 1y30 s ILE 19 CO 0.00 -0.36 0.87 0.61 0.24 0.00 0.00 174.94 176.30 1y30 n GLY 20 N 1.19 0.86 3.56 6.27 0.00 -0.50 -4.64 105.19 111.93 1y30 n GLY 20 Ca -0.21 -1.23 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 1y30 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y30 s VAL 21 N -2.08 5.25 -0.03 1.61 1.01 0.10 -1.08 120.40 125.18 1y30 s VAL 21 Ca 0.18 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 1y30 s VAL 21 Cb -0.04 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1y30 s VAL 21 CO 0.10 0.04 0.43 -0.22 0.00 0.00 0.00 175.10 175.46 1y30 s LEU 22 N 1.85 4.42 -0.11 3.92 2.96 -0.40 -1.11 118.68 130.21 1y30 s LEU 22 Ca 0.09 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 54.93 1y30 s LEU 22 Cb -0.17 -2.63 0.02 0.00 0.50 0.00 0.00 46.19 43.92 1y30 s LEU 22 CO 0.11 0.23 -0.09 0.00 -1.32 0.00 0.00 176.35 175.28 1y30 s ALA 23 N -0.59 1.36 0.38 5.97 0.00 0.08 -2.40 121.76 126.56 1y30 s ALA 23 Ca 0.24 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.71 1y30 s ALA 23 Cb -0.16 -0.88 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 1y30 s ALA 23 CO 0.13 -0.36 -0.00 0.95 0.00 0.00 0.00 175.76 176.48 1y30 s THR 24 N 1.58 1.92 -0.31 0.00 -4.23 -0.83 -2.48 115.64 111.29 1y30 s THR 24 Ca 0.03 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 1y30 s THR 24 Cb -0.13 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1y30 s THR 24 CO -0.07 -0.04 0.24 -0.63 -0.54 0.00 0.00 174.62 173.58 1y30 s ILE 25 N -2.78 5.28 0.86 2.99 1.01 -1.26 -0.00 121.20 127.29 1y30 s ILE 25 Ca 0.35 0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 1y30 s ILE 25 Cb 0.09 -3.64 0.11 0.00 0.01 0.00 0.00 42.46 39.02 1y30 s ILE 25 CO 0.17 0.11 1.15 -0.54 0.00 0.00 0.00 174.94 175.84 1y30 s LYS 26 N 1.80 1.58 0.15 2.79 1.02 0.02 -3.96 119.74 123.14 1y30 s LYS 26 Ca 0.08 0.25 -0.18 0.00 0.02 0.00 0.00 55.97 56.13 1y30 s LYS 26 Cb -0.17 -1.89 0.05 0.00 -0.52 0.00 0.00 37.83 35.30 1y30 s LYS 26 CO 0.11 -1.89 1.68 1.25 -0.92 0.00 0.00 175.35 175.58 1y30 h HIS 27 N -1.27 -0.17 0.00 3.18 -0.00 -1.69 -1.01 115.15 114.18 1y30 h HIS 27 Ca -0.48 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1y30 h HIS 27 Cb 1.32 0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 1y30 h HIS 27 CO 0.32 -0.14 0.00 -0.40 -0.00 0.00 0.00 177.93 177.71 1y30 n ASP 28 N -5.26 0.00 0.00 3.26 5.68 -1.26 -4.81 116.55 114.16 1y30 n ASP 28 Ca 0.00 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 1y30 n ASP 28 Cb 0.18 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1y30 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y30 n GLY 29 N -0.64 1.59 3.79 6.12 0.00 -0.38 -5.06 105.19 110.60 1y30 n GLY 29 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1y30 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y30 s ARG 30 N -0.97 3.82 0.50 1.61 0.52 -1.26 -4.67 118.95 118.50 1y30 s ARG 30 Ca 0.00 1.48 -0.19 0.00 -0.52 0.00 0.00 55.73 56.50 1y30 s ARG 30 Cb 0.00 -2.22 -0.08 0.00 0.52 0.00 0.00 34.95 33.17 1y30 s ARG 30 CO 0.00 -0.44 1.02 -2.14 0.02 0.00 0.00 175.30 173.77 1y30 s PRO 31 N -3.01 3.78 -0.18 3.54 0.02 -1.26 -0.80 135.00 137.09 1y30 s PRO 31 Ca 0.65 1.26 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 1y30 s PRO 31 Cb -0.20 -2.10 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 1y30 s PRO 31 CO 0.24 -0.43 -0.12 -1.14 -0.33 0.00 0.00 177.00 175.22 1y30 s GLN 32 N -3.46 3.24 0.21 5.54 2.00 0.99 -4.81 119.66 123.37 1y30 s GLN 32 Ca 0.65 -0.72 0.07 0.00 -2.00 0.00 0.00 55.36 53.37 1y30 s GLN 32 Cb -0.15 -2.75 -0.04 0.00 0.80 0.00 0.00 33.01 30.88 1y30 s GLN 32 CO 0.23 -0.08 0.07 -0.51 -0.50 0.00 0.00 175.29 174.50 1y30 s LEU 33 N 1.09 3.51 -0.14 3.68 1.43 -1.26 -1.97 118.68 125.03 1y30 s LEU 33 Ca 0.00 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.44 1y30 s LEU 33 Cb -0.14 -2.10 0.13 0.00 0.03 0.00 0.00 46.19 44.10 1y30 s LEU 33 CO -0.03 0.04 1.05 -0.94 0.23 0.00 0.00 176.35 176.70 1y30 s SER 34 N -3.30 -0.28 -0.16 2.29 1.04 -1.01 -4.99 113.70 107.29 1y30 s SER 34 Ca 0.30 0.16 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 1y30 s SER 34 Cb -0.09 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 1y30 s SER 34 CO 0.21 -0.36 0.51 0.20 0.98 0.00 0.00 173.24 174.78 1y30 s ASN 35 N -1.73 6.63 0.15 7.02 0.02 -1.26 -1.28 114.94 124.50 1y30 s ASN 35 Ca 0.04 0.76 0.02 0.00 -1.02 0.00 0.00 52.86 52.66 1y30 s ASN 35 Cb -0.01 -2.30 -0.05 0.00 0.02 0.00 0.00 41.25 38.92 1y30 s ASN 35 CO -0.04 -0.10 -0.02 0.68 0.02 0.00 0.00 177.10 177.64 1y30 s VAL 36 N 1.18 0.73 0.07 1.60 -7.23 -0.24 -4.97 120.40 111.53 1y30 s VAL 36 Ca 0.25 -1.98 -0.08 0.00 -1.81 0.00 0.00 61.98 58.36 1y30 s VAL 36 Cb -0.15 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1y30 s VAL 36 CO 0.10 -0.59 0.36 -1.10 -0.31 0.00 0.00 175.10 173.57 1y30 s GLN 37 N -3.88 3.69 0.14 4.82 -0.21 -1.26 -1.40 119.66 121.56 1y30 s GLN 37 Ca 0.21 0.07 -0.04 0.00 0.02 0.00 0.00 55.36 55.62 1y30 s GLN 37 Cb 0.06 -3.00 -0.03 0.00 1.00 0.00 0.00 33.01 31.04 1y30 s GLN 37 CO 0.02 0.57 0.13 1.52 -2.12 0.00 0.00 175.29 175.41 1y30 s TYR 38 N -1.41 0.72 -0.04 0.91 1.13 0.26 -4.43 117.35 114.49 1y30 s TYR 38 Ca 0.33 -1.09 0.06 0.00 -1.41 0.00 0.00 57.07 54.96 1y30 s TYR 38 Cb -0.13 -0.35 -0.01 0.00 -1.10 0.00 0.00 41.96 40.37 1y30 s TYR 38 CO 0.19 -0.59 -0.22 -1.58 -2.51 0.00 0.00 175.55 170.83 1y30 s HIS 39 N -4.03 2.10 -0.22 -3.49 2.46 0.02 -4.79 115.29 107.35 1y30 s HIS 39 Ca 0.22 -0.54 -0.01 0.00 0.47 0.00 0.00 55.06 55.21 1y30 s HIS 39 Cb 0.06 -1.37 0.02 0.00 -0.13 0.00 0.00 32.58 31.16 1y30 s HIS 39 CO 0.02 -0.14 -0.11 0.12 -2.47 0.00 0.00 174.74 172.16 1y30 s PHE 40 N -0.25 2.97 -0.57 3.88 5.99 -1.26 -0.75 117.98 127.99 1y30 s PHE 40 Ca 0.01 -1.53 -0.19 0.00 0.00 0.00 0.00 56.93 55.23 1y30 s PHE 40 Cb -0.11 -2.01 0.09 0.00 0.00 0.00 0.00 43.02 40.99 1y30 s PHE 40 CO 0.02 -0.73 0.67 0.34 -0.00 0.00 0.00 175.22 175.51 1y30 s ASP 41 N 1.33 6.19 0.54 6.13 3.68 0.25 -4.93 116.67 129.86 1y30 s ASP 41 Ca 0.02 -1.34 0.31 0.00 2.13 0.00 0.00 52.55 53.67 1y30 s ASP 41 Cb -0.15 -2.29 1.53 0.00 -1.45 0.00 0.00 42.92 40.56 1y30 s ASP 41 CO -0.07 -1.05 2.07 1.55 0.13 0.00 0.00 175.17 177.81 1y30 h PRO 42 N 9.12 0.00 0.00 4.34 0.13 -1.96 0.41 132.00 144.05 1y30 h PRO 42 Ca -0.29 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1y30 h PRO 42 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1y30 h PRO 42 CO 1.07 0.09 -0.34 0.00 -0.23 0.00 0.00 178.00 178.58 1y30 h ARG 43 N 0.00 0.00 0.00 0.86 -0.00 -1.97 -3.33 114.38 109.95 1y30 h ARG 43 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1y30 h ARG 43 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.33 1y30 h ARG 43 CO 0.01 0.72 0.00 1.63 0.00 0.00 0.00 179.97 182.33 1y30 n LYS 44 N -4.60 0.29 -3.55 0.04 5.02 -1.22 -4.94 118.16 109.20 1y30 n LYS 44 Ca -0.13 0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 55.91 1y30 n LYS 44 Cb 0.42 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.98 1y30 n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1y30 n LEU 45 N -1.35 -3.69 -3.97 -0.35 4.77 0.14 -4.85 117.00 107.70 1y30 n LEU 45 Ca 0.12 -0.92 -0.08 0.00 -0.03 0.00 0.00 56.01 55.09 1y30 n LEU 45 Cb 0.26 -2.64 -0.09 0.00 -2.33 0.00 0.00 43.42 38.62 1y30 n LEU 45 CO 0.23 0.36 -0.24 -1.48 -1.33 0.00 0.00 177.39 174.93 1y30 s LEU 46 N -6.14 1.95 -0.03 2.23 0.05 -0.83 -1.98 118.68 113.92 1y30 s LEU 46 Ca 0.47 -0.70 0.07 0.00 0.05 0.00 0.00 54.13 54.02 1y30 s LEU 46 Cb -0.14 0.55 -0.02 0.00 -2.05 0.00 0.00 46.19 44.54 1y30 s LEU 46 CO 0.82 -0.58 -0.25 -0.63 -0.55 0.00 0.00 176.35 175.17 1y30 s ILE 47 N -3.24 1.99 -0.03 1.48 1.01 -0.79 -0.59 121.20 121.03 1y30 s ILE 47 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.64 1y30 s ILE 47 Cb 0.03 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 1y30 s ILE 47 CO -0.08 0.56 -0.18 -1.10 0.00 0.00 0.00 174.94 174.14 1y30 s GLN 48 N -0.45 1.73 0.12 2.79 -0.21 0.07 0.20 119.66 123.92 1y30 s GLN 48 Ca 0.06 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.79 1y30 s GLN 48 Cb -0.11 -1.56 -0.04 0.00 1.00 0.00 0.00 33.01 32.29 1y30 s GLN 48 CO 0.00 0.32 -0.02 0.14 -2.12 0.00 0.00 175.29 173.62 1y30 s VAL 49 N -0.18 0.54 -0.13 1.09 -7.23 -0.43 -0.80 120.40 113.26 1y30 s VAL 49 Ca 0.01 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1y30 s VAL 49 Cb -0.10 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1y30 s VAL 49 CO 0.01 -0.70 -0.05 -0.55 -0.31 0.00 0.00 175.10 173.50 1y30 s SER 50 N -3.07 4.70 -0.01 4.85 0.15 -1.26 -0.51 113.70 118.55 1y30 s SER 50 Ca 0.17 -0.11 -0.08 0.00 0.70 0.00 0.00 55.95 56.63 1y30 s SER 50 Cb 0.06 -1.61 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1y30 s SER 50 CO -0.02 0.22 0.16 0.27 1.20 0.00 0.00 173.24 175.08 1y30 s ILE 51 N 0.03 0.07 0.70 6.45 -4.36 -0.12 -4.94 121.20 119.03 1y30 s ILE 51 Ca -0.00 -0.59 -0.14 0.00 -0.26 0.00 0.00 60.65 59.65 1y30 s ILE 51 Cb -0.14 -0.43 0.02 0.00 1.25 0.00 0.00 42.46 43.17 1y30 s ILE 51 CO 0.03 -0.32 1.14 0.00 0.24 0.00 0.00 174.94 176.03 1y30 s ALA 52 N -1.21 2.29 0.07 2.27 0.00 -1.26 0.60 121.76 124.52 1y30 s ALA 52 Ca -0.13 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.16 1y30 s ALA 52 Cb -0.07 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1y30 s ALA 52 CO 0.02 -1.58 1.71 -2.00 0.00 0.00 0.00 175.76 173.91 1y30 s GLU 53 N -4.13 4.18 0.34 0.00 2.56 -0.62 -4.72 118.70 116.32 1y30 s GLU 53 Ca 0.69 2.40 -0.29 0.00 0.00 0.00 0.00 54.97 57.77 1y30 s GLU 53 Cb -0.23 -3.66 -0.11 0.00 2.00 0.00 0.00 34.13 32.13 1y30 s GLU 53 CO 0.45 -0.78 1.50 -1.25 -0.56 0.00 0.00 175.26 174.61 1y30 s PRO 54 N 2.88 4.15 0.19 4.30 0.04 -1.26 -5.04 135.00 140.26 1y30 s PRO 54 Ca 0.76 2.52 0.08 0.00 0.04 0.00 0.00 61.00 64.40 1y30 s PRO 54 Cb -0.41 -3.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1y30 s PRO 54 CO 0.34 -0.52 -0.15 1.03 0.04 0.00 0.00 177.00 177.74 1y30 s ARG 55 N -1.51 1.29 4.76 4.56 0.52 -1.26 -4.34 118.95 122.98 1y30 s ARG 55 Ca 0.56 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1y30 s ARG 55 Cb -0.46 -1.12 0.00 0.00 0.52 0.00 0.00 34.95 33.89 1y30 s ARG 55 CO 0.57 0.19 0.00 0.00 0.02 0.00 0.00 175.30 176.08 1y30 n ALA 56 N -0.22 0.00 -0.29 2.13 0.00 -1.26 -2.36 120.51 118.50 1y30 n ALA 56 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.51 1y30 n ALA 56 Cb 0.60 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.47 1y30 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1y30 h LYS 57 N 0.00 0.55 0.00 0.00 1.57 -2.00 -0.91 116.57 115.79 1y30 h LYS 57 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1y30 h LYS 57 Cb 0.00 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1y30 h LYS 57 CO 0.00 0.37 -0.12 1.15 -0.57 0.00 0.00 179.45 180.27 1y30 h THR 58 N 0.57 0.28 -0.26 -0.16 2.02 -1.82 -2.19 112.91 111.35 1y30 h THR 58 Ca 0.51 -0.96 0.08 0.00 0.77 0.00 0.00 66.41 66.80 1y30 h THR 58 Cb 1.03 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1y30 h THR 58 CO -0.25 0.12 0.23 -0.09 0.37 0.00 0.00 175.52 175.91 1y30 h ARG 59 N 0.00 0.00 0.00 6.66 2.43 -1.11 -2.34 114.38 120.02 1y30 h ARG 59 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1y30 h ARG 59 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1y30 h ARG 59 CO 0.02 0.00 0.53 -0.97 -1.51 0.00 0.00 179.97 178.03 1y30 h ASN 60 N 0.00 0.00 -0.20 -3.80 -0.73 -1.73 0.28 115.58 109.40 1y30 h ASN 60 Ca 0.13 0.00 0.06 0.00 1.87 0.00 0.00 56.30 58.35 1y30 h ASN 60 Cb 0.59 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 1y30 h ASN 60 CO -0.00 0.00 0.14 0.25 -0.37 0.00 0.00 177.43 177.45 1y30 h LEU 61 N 0.00 0.00 -1.15 0.34 6.46 -1.54 -0.78 115.31 118.63 1y30 h LEU 61 Ca 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 1y30 h LEU 61 Cb 1.05 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 1y30 h LEU 61 CO 0.00 0.00 -0.35 0.03 -0.62 0.00 0.00 178.44 177.50 1y30 h ARG 62 N 0.00 0.12 0.00 1.25 2.47 -0.71 -2.90 114.38 114.62 1y30 h ARG 62 Ca 0.10 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1y30 h ARG 62 Cb 0.38 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1y30 h ARG 62 CO -0.00 0.47 -1.96 2.89 0.56 0.00 0.00 179.97 181.93 1y30 n ARG 63 N -4.09 0.63 -3.50 0.04 1.85 -0.65 -4.71 116.66 106.23 1y30 n ARG 63 Ca -0.02 -0.18 -0.28 0.00 -1.00 0.00 0.00 57.85 56.37 1y30 n ARG 63 Cb 0.42 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.22 1y30 n ARG 63 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1y30 s ASP 64 N -4.41 2.55 0.00 2.89 3.68 -0.39 -5.00 116.67 115.98 1y30 s ASP 64 Ca -0.08 -2.71 0.02 0.00 2.13 0.00 0.00 52.55 51.91 1y30 s ASP 64 Cb 0.13 -0.58 0.10 0.00 -1.45 0.00 0.00 42.92 41.12 1y30 s ASP 64 CO 0.85 -0.23 0.87 -0.81 0.13 0.00 0.00 175.17 175.98 1y30 n PRO 65 N 3.36 0.80 -1.90 4.34 -0.04 -1.10 -4.38 135.00 136.07 1y30 n PRO 65 Ca 0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1y30 n PRO 65 Cb 0.41 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1y30 n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1y30 s ARG 66 N -2.00 4.20 0.12 0.54 0.52 -1.26 -1.52 118.95 119.55 1y30 s ARG 66 Ca 0.02 2.39 -0.05 0.00 -0.52 0.00 0.00 55.73 57.58 1y30 s ARG 66 Cb 0.01 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1y30 s ARG 66 CO 0.02 -0.63 0.14 0.00 0.02 0.00 0.00 175.30 174.85 1y30 s ALA 67 N 1.22 0.32 0.01 2.13 0.00 -0.70 -4.20 121.76 120.54 1y30 s ALA 67 Ca 0.71 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1y30 s ALA 67 Cb -0.44 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 1y30 s ALA 67 CO 0.31 -0.52 0.13 -1.12 0.00 0.00 0.00 175.76 174.56 1y30 s SER 68 N -2.97 0.06 -0.05 0.00 0.01 -1.03 -1.80 113.70 107.91 1y30 s SER 68 Ca 0.16 -0.27 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 1y30 s SER 68 Cb 0.06 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.52 1y30 s SER 68 CO -0.03 -0.39 -0.00 -0.51 0.41 0.00 0.00 173.24 172.71 1y30 s ILE 69 N -1.61 0.31 -0.11 1.44 2.07 -0.35 -0.74 121.20 122.20 1y30 s ILE 69 Ca -0.13 0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.07 1y30 s ILE 69 Cb -0.07 -0.44 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 1y30 s ILE 69 CO 0.00 0.22 0.29 -0.22 -1.91 0.00 0.00 174.94 173.32 1y30 s LEU 70 N 1.54 4.33 -0.09 8.50 0.20 -0.27 -1.23 118.68 131.66 1y30 s LEU 70 Ca -0.02 0.61 0.03 0.00 0.69 0.00 0.00 54.13 55.44 1y30 s LEU 70 Cb -0.13 -2.37 0.01 0.00 -0.43 0.00 0.00 46.19 43.27 1y30 s LEU 70 CO -0.03 0.21 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.37 1y30 s VAL 71 N -0.18 1.61 0.30 1.68 1.01 0.33 -0.72 120.40 124.42 1y30 s VAL 71 Ca 0.18 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1y30 s VAL 71 Cb -0.14 -1.42 -0.10 0.00 0.00 0.00 0.00 36.38 34.73 1y30 s VAL 71 CO 0.06 0.46 0.96 -1.81 0.00 0.00 0.00 175.10 174.77 1y30 s ASP 72 N 0.54 7.41 0.81 3.32 1.01 -1.26 -1.24 116.67 127.25 1y30 s ASP 72 Ca -0.16 1.90 -0.05 0.00 0.71 0.00 0.00 52.55 54.95 1y30 s ASP 72 Cb -0.17 -2.59 0.15 0.00 1.01 0.00 0.00 42.92 41.32 1y30 s ASP 72 CO 0.06 -0.02 0.99 0.00 0.21 0.00 0.00 175.17 176.41 1y30 n ALA 73 N 0.86 -0.37 1.15 5.23 0.00 -0.66 -4.89 120.51 121.83 1y30 n ALA 73 Ca 0.01 -1.67 0.12 0.00 0.00 0.00 0.00 53.44 51.90 1y30 n ALA 73 Cb 0.49 0.16 0.29 0.00 0.00 0.00 0.00 19.45 20.39 1y30 n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1y30 n ASP 74 N -3.22 0.98 -1.59 0.00 5.68 -1.26 -4.92 116.55 112.22 1y30 n ASP 74 Ca 0.15 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 1y30 n ASP 74 Cb 0.52 0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 1y30 n ASP 74 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1y30 n ASP 75 N -0.85 0.00 0.12 -1.12 3.85 -1.26 -5.05 116.55 112.25 1y30 n ASP 75 Ca 0.10 0.00 -0.10 0.00 -0.71 0.00 0.00 54.79 54.08 1y30 n ASP 75 Cb 0.35 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.07 1y30 n ASP 75 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 1y30 h GLY 76 N 0.00 -0.41 0.00 6.12 0.00 -2.04 -3.43 103.07 103.32 1y30 h GLY 76 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1y30 h GLY 76 CO 0.00 -0.15 -0.15 0.79 0.00 0.00 0.00 176.54 177.03 1y30 n TRP 77 N -5.04 0.00 -1.66 5.60 7.02 -1.26 -5.05 117.44 117.05 1y30 n TRP 77 Ca -0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.01 1y30 n TRP 77 Cb 0.24 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.16 1y30 n TRP 77 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1y30 n SER 78 N -1.04 1.63 -3.51 -0.99 7.64 -1.26 -4.90 113.62 111.19 1y30 n SER 78 Ca 0.00 0.95 -0.10 0.00 1.01 0.00 0.00 58.87 60.73 1y30 n SER 78 Cb 0.00 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 61.73 1y30 n SER 78 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1y30 s TYR 79 N -1.35 -0.39 0.10 1.43 1.13 -0.08 -1.66 117.35 116.53 1y30 s TYR 79 Ca 0.69 0.39 0.07 0.00 -1.41 0.00 0.00 57.07 56.81 1y30 s TYR 79 Cb -0.47 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.87 1y30 s TYR 79 CO 0.52 -0.53 -0.18 0.00 -2.51 0.00 0.00 175.55 172.85 1y30 s ALA 80 N -2.56 1.56 -0.11 9.51 0.00 -0.37 -0.47 121.76 129.31 1y30 s ALA 80 Ca 0.02 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1y30 s ALA 80 Cb -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1y30 s ALA 80 CO -0.05 0.26 -0.07 0.08 0.00 0.00 0.00 175.76 175.98 1y30 s VAL 81 N -1.33 0.96 -0.20 0.00 1.01 0.19 -0.51 120.40 120.51 1y30 s VAL 81 Ca 0.04 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1y30 s VAL 81 Cb -0.09 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1y30 s VAL 81 CO 0.04 0.35 0.25 0.00 0.00 0.00 0.00 175.10 175.74 1y30 s ALA 82 N 1.67 3.60 0.02 5.51 0.00 -0.36 -1.77 121.76 130.43 1y30 s ALA 82 Ca 0.04 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1y30 s ALA 82 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1y30 s ALA 82 CO -0.07 -0.08 -0.18 -2.00 0.00 0.00 0.00 175.76 173.42 1y30 s GLU 83 N 0.84 2.14 -0.02 0.00 2.12 1.00 -1.21 118.70 123.57 1y30 s GLU 83 Ca 0.13 -0.94 -0.22 0.00 0.36 0.00 0.00 54.97 54.31 1y30 s GLU 83 Cb -0.13 -2.20 0.07 0.00 0.26 0.00 0.00 34.13 32.13 1y30 s GLU 83 CO 0.04 0.55 0.98 0.41 -0.54 0.00 0.00 175.26 176.70 1y30 n GLY 84 N 1.75 0.31 3.34 -1.50 0.00 -0.75 0.86 105.19 109.21 1y30 n GLY 84 Ca -0.16 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.48 1y30 n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y30 s THR 85 N -2.05 4.16 0.44 2.61 2.01 -1.26 -1.73 115.64 119.82 1y30 s THR 85 Ca 0.23 -0.87 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 1y30 s THR 85 Cb -0.01 -3.27 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 1y30 s THR 85 CO -0.01 -0.11 1.18 0.00 -0.69 0.00 0.00 174.62 174.99 1y30 s ALA 86 N 1.49 3.04 -0.09 7.40 0.00 -0.58 -4.34 121.76 128.69 1y30 s ALA 86 Ca 0.01 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1y30 s ALA 86 Cb -0.19 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1y30 s ALA 86 CO 0.04 -0.65 -0.13 -0.65 0.00 0.00 0.00 175.76 174.38 1y30 s GLN 87 N -2.55 3.00 -0.00 0.00 -0.21 0.36 -4.79 119.66 115.46 1y30 s GLN 87 Ca 0.61 -0.67 0.08 0.00 0.02 0.00 0.00 55.36 55.40 1y30 s GLN 87 Cb -0.30 -2.54 -0.02 0.00 1.00 0.00 0.00 33.01 31.15 1y30 s GLN 87 CO 0.37 0.41 -0.24 -0.51 -2.12 0.00 0.00 175.29 173.20 1y30 s LEU 88 N -0.17 2.08 0.68 2.90 1.02 -1.26 -0.40 118.68 123.53 1y30 s LEU 88 Ca -0.00 -0.47 -0.09 0.00 0.02 0.00 0.00 54.13 53.60 1y30 s LEU 88 Cb -0.13 -1.21 0.03 0.00 0.02 0.00 0.00 46.19 44.90 1y30 s LEU 88 CO 0.03 0.27 1.03 0.42 0.02 0.00 0.00 176.35 178.12 1y30 s THR 89 N -0.63 3.03 0.83 5.49 -4.23 -1.10 -5.01 115.64 114.02 1y30 s THR 89 Ca 0.09 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.56 1y30 s THR 89 Cb -0.09 -3.29 0.09 0.00 1.34 0.00 0.00 72.50 70.55 1y30 s THR 89 CO -0.00 -0.33 1.09 -2.16 -0.54 0.00 0.00 174.62 172.68 1y30 s PRO 90 N -5.24 1.80 0.53 3.99 0.04 -1.26 -4.66 135.00 130.18 1y30 s PRO 90 Ca 0.58 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1y30 s PRO 90 Cb -0.11 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1y30 s PRO 90 CO 0.47 -1.84 1.18 -1.25 0.04 0.00 0.00 177.00 175.60 1y30 s PRO 91 N -5.07 3.39 0.21 0.56 0.04 -1.26 -4.73 135.00 128.14 1y30 s PRO 91 Ca 0.62 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 63.12 1y30 s PRO 91 Cb -0.16 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.12 1y30 s PRO 91 CO 0.55 -0.86 1.63 0.00 0.04 0.00 0.00 177.00 178.37 1y30 s ALA 92 N -1.61 3.84 0.00 8.56 0.00 0.22 -4.87 121.76 127.90 1y30 s ALA 92 Ca 0.71 1.50 0.00 0.00 0.00 0.00 0.00 51.96 54.17 1y30 s ALA 92 Cb -0.28 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1y30 s ALA 92 CO 0.33 -0.88 0.00 0.00 0.00 0.00 0.00 175.76 175.21 1y30 n ALA 93 N 3.53 1.20 -2.84 0.00 0.00 -1.26 -4.47 120.51 116.67 1y30 n ALA 93 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 1y30 n ALA 93 Cb 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.67 1y30 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y30 s ALA 94 N -1.19 0.74 0.09 0.00 0.00 -1.26 -5.01 121.76 115.12 1y30 s ALA 94 Ca 0.00 -0.33 0.18 0.00 0.00 0.00 0.00 51.96 51.80 1y30 s ALA 94 Cb 0.00 -0.23 0.97 0.00 0.00 0.00 0.00 23.12 23.86 1y30 s ALA 94 CO 0.00 0.15 1.48 -1.00 0.00 0.00 0.00 175.76 176.39 1y30 h PRO 95 N 6.13 0.00 0.00 0.00 0.13 -1.97 -1.78 132.00 134.51 1y30 h PRO 95 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1y30 h PRO 95 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y30 h PRO 95 CO 0.49 0.00 -0.14 -0.40 -0.23 0.00 0.00 178.00 177.72 1y30 n ASP 96 N -2.23 1.52 -4.43 1.44 5.75 -1.26 -4.80 116.55 112.53 1y30 n ASP 96 Ca -0.01 -2.55 -0.29 0.00 -0.01 0.00 0.00 54.79 51.92 1y30 n ASP 96 Cb 0.27 -0.30 0.17 0.00 -1.03 0.00 0.00 41.12 40.23 1y30 n ASP 96 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1y30 s ASP 97 N -2.00 2.85 0.41 -1.12 1.47 -0.67 -4.77 116.67 112.84 1y30 s ASP 97 Ca 0.18 0.74 0.12 0.00 1.18 0.00 0.00 52.55 54.77 1y30 s ASP 97 Cb 0.16 -1.13 0.94 0.00 -0.34 0.00 0.00 42.92 42.55 1y30 s ASP 97 CO 0.02 -2.94 1.96 0.44 0.68 0.00 0.00 175.17 175.32 1y30 h ASP 98 N -1.77 0.47 -0.06 2.11 3.32 -1.98 -1.98 116.42 116.52 1y30 h ASP 98 Ca -0.48 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1y30 h ASP 98 Cb 1.30 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1y30 h ASP 98 CO 0.51 0.28 0.00 0.74 -1.72 0.00 0.00 179.24 179.05 1y30 h THR 99 N 0.52 1.24 -0.45 0.35 2.02 -1.92 -1.44 112.91 113.24 1y30 h THR 99 Ca 0.31 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1y30 h THR 99 Cb 0.52 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1y30 h THR 99 CO -0.10 0.20 0.28 0.58 0.37 0.00 0.00 175.52 176.85 1y30 h VAL 100 N -0.17 1.13 -0.88 3.16 2.07 -1.72 0.53 116.25 120.37 1y30 h VAL 100 Ca 0.02 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1y30 h VAL 100 Cb 0.31 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1y30 h VAL 100 CO 0.00 0.13 0.53 -0.33 0.02 0.00 0.00 177.57 177.92 1y30 h GLU 101 N 0.60 0.89 -0.57 1.57 4.39 -1.33 -0.19 114.58 119.94 1y30 h GLU 101 Ca 0.16 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1y30 h GLU 101 Cb -0.04 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.39 1y30 h GLU 101 CO -0.03 0.59 0.12 0.00 -1.16 0.00 0.00 179.01 178.53 1y30 h ALA 102 N 1.45 1.14 0.00 3.43 0.00 -0.11 -2.59 119.26 122.59 1y30 h ALA 102 Ca 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1y30 h ALA 102 Cb 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y30 h ALA 102 CO -0.22 0.57 -0.10 -0.07 0.00 0.00 0.00 179.25 179.43 1y30 h LEU 103 N 0.85 0.00 -0.22 0.00 3.38 0.69 -2.21 115.31 117.80 1y30 h LEU 103 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1y30 h LEU 103 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1y30 h LEU 103 CO 0.00 0.10 -0.46 0.40 0.09 0.00 0.00 178.44 178.58 1y30 h ILE 104 N 0.00 1.31 -0.00 1.22 2.04 -0.72 -0.80 117.51 120.55 1y30 h ILE 104 Ca -0.00 -1.67 -0.08 0.00 1.00 0.00 0.00 64.86 64.10 1y30 h ILE 104 Cb 0.79 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1y30 h ILE 104 CO 0.01 0.53 -0.38 0.00 0.00 0.00 0.00 178.15 178.31 1y30 h ALA 105 N 0.62 1.36 -0.20 1.87 0.00 -1.30 -1.22 119.26 120.39 1y30 h ALA 105 Ca 0.01 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1y30 h ALA 105 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1y30 h ALA 105 CO 0.10 0.48 -0.39 1.25 0.00 0.00 0.00 179.25 180.69 1y30 h LEU 106 N 0.00 0.68 -0.73 0.00 5.85 -1.21 -1.93 115.31 117.98 1y30 h LEU 106 Ca -0.00 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 1y30 h LEU 106 Cb 0.68 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1y30 h LEU 106 CO 0.05 1.11 0.41 0.22 -0.34 0.00 0.00 178.44 179.89 1y30 h TYR 107 N 0.29 0.99 -0.65 1.25 5.03 -0.81 -1.21 116.97 121.86 1y30 h TYR 107 Ca 0.01 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1y30 h TYR 107 Cb 0.99 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 38.93 1y30 h TYR 107 CO 0.09 0.69 0.27 0.00 -1.32 0.00 0.00 178.16 177.89 1y30 h ARG 108 N 1.00 0.97 -0.78 1.82 3.08 -1.19 0.49 114.38 119.77 1y30 h ARG 108 Ca 0.26 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1y30 h ARG 108 Cb 0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1y30 h ARG 108 CO -0.04 0.80 0.41 -0.91 -1.07 0.00 0.00 179.97 179.16 1y30 h ASN 109 N 0.91 0.98 0.00 7.04 2.35 -0.90 -2.09 115.58 123.88 1y30 h ASN 109 Ca 0.22 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1y30 h ASN 109 Cb 0.19 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1y30 h ASN 109 CO -0.02 0.81 -0.38 0.40 -1.65 0.00 0.00 177.43 176.58 1y30 h ILE 110 N 1.08 1.15 0.00 2.81 2.04 -0.94 -3.44 117.51 120.21 1y30 h ILE 110 Ca 0.27 -2.00 -0.28 0.00 1.00 0.00 0.00 64.86 63.86 1y30 h ILE 110 Cb 0.05 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1y30 h ILE 110 CO -0.04 0.39 -2.04 0.00 0.00 0.00 0.00 178.15 176.46 1y30 n ALA 111 N -2.94 1.62 0.00 1.87 0.00 0.16 -5.10 120.51 116.13 1y30 n ALA 111 Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1y30 n ALA 111 Cb 0.45 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1y30 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y30 n GLY 112 N 2.57 0.35 3.64 0.00 0.00 -0.70 -4.98 105.19 106.08 1y30 n GLY 112 Ca -0.33 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 1y30 n GLY 112 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y30 s GLU 113 N -0.33 4.03 0.44 1.61 2.56 -1.26 -3.60 118.70 122.15 1y30 s GLU 113 Ca 0.00 1.35 -0.23 0.00 0.00 0.00 0.00 54.97 56.10 1y30 s GLU 113 Cb 0.00 -3.82 -0.08 0.00 2.00 0.00 0.00 34.13 32.22 1y30 s GLU 113 CO 0.00 -0.96 1.07 -1.58 -0.56 0.00 0.00 175.26 173.22 1y30 s HIS 114 N 4.01 3.11 0.08 5.30 5.65 -1.26 -5.00 115.29 127.18 1y30 s HIS 114 Ca 0.54 1.60 -0.34 0.00 0.25 0.00 0.00 55.06 57.12 1y30 s HIS 114 Cb -0.18 -3.15 -0.17 0.00 -1.18 0.00 0.00 32.58 27.90 1y30 s HIS 114 CO 0.19 -0.85 1.60 0.77 -0.65 0.00 0.00 174.74 175.80 1y30 h SER 115 N 2.11 -1.00 -3.30 9.88 0.02 -2.04 -3.40 113.55 115.83 1y30 h SER 115 Ca -0.49 0.06 -0.60 0.00 -0.84 0.00 0.00 61.79 59.92 1y30 h SER 115 Cb 1.22 0.30 -0.40 0.00 0.14 0.00 0.00 62.40 63.66 1y30 h SER 115 CO 0.61 -0.60 -0.75 -0.62 -1.14 0.00 0.00 176.83 174.33 1y30 s ASP 116 N -4.39 4.04 0.52 3.07 2.15 -1.26 -5.00 116.67 115.80 1y30 s ASP 116 Ca -0.18 -1.92 0.19 0.00 0.43 0.00 0.00 52.55 51.07 1y30 s ASP 116 Cb 0.04 -1.00 1.29 0.00 -0.30 0.00 0.00 42.92 42.96 1y30 s ASP 116 CO 0.62 -0.38 2.08 -0.50 -0.17 0.00 0.00 175.17 176.82 1y30 h TRP 117 N 7.73 0.03 -0.06 -5.34 -0.00 -2.00 -1.62 115.95 114.69 1y30 h TRP 117 Ca -0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.73 1y30 h TRP 117 Cb 1.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1y30 h TRP 117 CO 0.40 0.02 -0.28 -0.44 -0.00 0.00 0.00 178.44 178.14 1y30 h ASP 118 N 0.03 0.10 -0.13 -3.49 3.32 -1.98 0.37 116.42 114.65 1y30 h ASP 118 Ca 0.11 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1y30 h ASP 118 Cb 0.39 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1y30 h ASP 118 CO -0.01 0.38 -0.38 -0.78 -1.72 0.00 0.00 179.24 176.74 1y30 h ASP 119 N 0.09 0.55 -0.12 6.45 -0.00 -1.74 -2.78 116.42 118.88 1y30 h ASP 119 Ca 0.01 -0.60 0.03 0.00 -0.00 0.00 0.00 57.03 56.48 1y30 h ASP 119 Cb 0.54 -0.16 -0.04 0.00 -0.00 0.00 0.00 39.33 39.67 1y30 h ASP 119 CO 0.04 1.05 -0.09 0.22 -0.00 0.00 0.00 179.24 180.46 1y30 h TYR 120 N 0.08 -0.23 -0.27 0.28 3.20 -1.18 -0.72 116.97 118.13 1y30 h TYR 120 Ca -0.01 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1y30 h TYR 120 Cb 1.00 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 1y30 h TYR 120 CO 0.11 -0.15 -0.13 0.00 -1.64 0.00 0.00 178.16 176.35 1y30 h ARG 121 N -0.11 -0.09 -0.10 1.82 3.08 -0.95 -0.14 114.38 117.89 1y30 h ARG 121 Ca 0.08 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 1y30 h ARG 121 Cb 0.22 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1y30 h ARG 121 CO -0.19 -0.06 -0.25 -0.56 -1.07 0.00 0.00 179.97 177.84 1y30 h GLN 122 N -0.09 0.18 -0.15 0.04 -0.00 -1.28 -2.37 115.11 111.43 1y30 h GLN 122 Ca 0.14 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.65 58.63 1y30 h GLN 122 Cb 0.31 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 1y30 h GLN 122 CO -0.33 0.43 -0.38 0.00 -0.00 0.00 0.00 178.83 178.55 1y30 h ALA 123 N 1.58 1.07 -0.31 0.06 0.00 -0.02 -0.05 119.26 121.59 1y30 h ALA 123 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1y30 h ALA 123 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y30 h ALA 123 CO 0.04 0.59 -0.30 0.52 0.00 0.00 0.00 179.25 180.09 1y30 h MET 124 N 0.28 0.75 -0.14 0.00 2.86 -0.58 -2.04 114.93 116.05 1y30 h MET 124 Ca 0.03 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 1y30 h MET 124 Cb 0.80 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1y30 h MET 124 CO 0.06 1.02 0.03 0.28 1.06 0.00 0.00 176.91 179.36 1y30 h VAL 125 N 0.51 1.21 -0.37 -2.22 2.07 -1.28 -0.88 116.25 115.28 1y30 h VAL 125 Ca 0.05 -0.66 0.09 0.00 0.82 0.00 0.00 66.70 67.00 1y30 h VAL 125 Cb 0.88 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1y30 h VAL 125 CO 0.08 0.20 0.26 0.74 0.02 0.00 0.00 177.57 178.86 1y30 h THR 126 N 0.02 0.85 -0.62 2.57 2.02 -0.95 -1.22 112.91 115.59 1y30 h THR 126 Ca 0.04 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1y30 h THR 126 Cb 0.28 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1y30 h THR 126 CO 0.00 0.01 0.00 -0.67 0.37 0.00 0.00 175.52 175.24 1y30 n ASP 127 N -4.45 4.25 -4.11 4.18 4.64 -0.77 -4.93 116.55 115.36 1y30 n ASP 127 Ca 0.06 -2.29 -0.35 0.00 -1.38 0.00 0.00 54.79 50.83 1y30 n ASP 127 Cb 0.40 -0.51 -0.03 0.00 -1.04 0.00 0.00 41.12 39.94 1y30 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1y30 n ARG 128 N 1.11 -2.77 -1.66 -0.67 1.74 -0.46 -3.80 116.66 110.15 1y30 n ARG 128 Ca 0.23 0.33 -0.45 0.00 -0.77 0.00 0.00 57.85 57.20 1y30 n ARG 128 Cb 0.75 -5.03 -0.03 0.00 -1.02 0.00 0.00 32.46 27.14 1y30 n ARG 128 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1y30 n ARG 129 N -4.18 1.90 -4.97 5.56 5.12 -0.38 -1.58 116.66 118.13 1y30 n ARG 129 Ca 0.07 0.67 -0.27 0.00 -1.93 0.00 0.00 57.85 56.40 1y30 n ARG 129 Cb 0.49 -2.29 -0.15 0.00 -1.16 0.00 0.00 32.46 29.34 1y30 n ARG 129 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1y30 s VAL 130 N -0.21 1.62 -0.37 1.55 1.01 0.20 -0.61 120.40 123.59 1y30 s VAL 130 Ca 0.67 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 1y30 s VAL 130 Cb -0.67 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1y30 s VAL 130 CO 0.52 0.43 0.34 -0.22 0.00 0.00 0.00 175.10 176.16 1y30 s LEU 131 N -0.55 4.68 -0.18 3.92 0.20 -1.26 -0.94 118.68 124.55 1y30 s LEU 131 Ca 0.08 -0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.25 1y30 s LEU 131 Cb -0.08 -2.26 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 1y30 s LEU 131 CO -0.01 -0.39 0.35 -0.22 -0.29 0.00 0.00 176.35 175.80 1y30 s LEU 132 N 1.90 4.20 -0.24 -0.68 0.20 0.34 -2.70 118.68 121.70 1y30 s LEU 132 Ca 0.09 0.53 -0.02 0.00 0.69 0.00 0.00 54.13 55.42 1y30 s LEU 132 Cb -0.17 -2.46 0.02 0.00 -0.43 0.00 0.00 46.19 43.15 1y30 s LEU 132 CO 0.11 0.01 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.23 1y30 s THR 133 N 0.87 2.92 -0.71 3.68 2.01 0.46 -1.31 115.64 123.56 1y30 s THR 133 Ca 0.18 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 1y30 s THR 133 Cb -0.14 -2.43 0.18 0.00 0.01 0.00 0.00 72.50 70.13 1y30 s THR 133 CO 0.06 0.27 0.57 -0.22 -0.69 0.00 0.00 174.62 174.61 1y30 s LEU 134 N 1.36 5.76 0.19 4.42 2.96 0.13 -0.49 118.68 133.01 1y30 s LEU 134 Ca 0.02 -2.85 -0.31 0.00 -0.22 0.00 0.00 54.13 50.77 1y30 s LEU 134 Cb -0.16 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 1y30 s LEU 134 CO -0.05 -0.42 1.42 -2.16 -1.32 0.00 0.00 176.35 173.82 1y30 s PRO 135 N -0.07 4.30 -0.23 0.98 0.04 -1.26 -1.88 135.00 136.88 1y30 s PRO 135 Ca 0.18 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1y30 s PRO 135 Cb -0.16 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1y30 s PRO 135 CO -0.05 -0.42 1.60 0.42 0.04 0.00 0.00 177.00 178.59 1y30 s ILE 136 N 0.48 3.72 -0.22 0.56 1.01 -0.84 -4.12 121.20 121.78 1y30 s ILE 136 Ca 0.62 0.81 -0.15 0.00 0.00 0.00 0.00 60.65 61.92 1y30 s ILE 136 Cb -0.40 -3.73 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 1y30 s ILE 136 CO 0.37 -0.31 0.02 -1.20 0.00 0.00 0.00 174.94 173.82 1y30 n SER 137 N 8.41 1.94 -3.98 3.58 7.64 0.25 -4.98 113.62 126.48 1y30 n SER 137 Ca 0.19 0.32 -0.13 0.00 1.01 0.00 0.00 58.87 60.26 1y30 n SER 137 Cb 0.45 -0.86 -0.13 0.00 -1.01 0.00 0.00 64.21 62.66 1y30 n SER 137 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1y30 s HIS 138 N -2.45 0.41 -0.08 1.43 5.65 -0.94 -5.00 115.29 114.31 1y30 s HIS 138 Ca -0.32 -0.29 -0.00 0.00 0.25 0.00 0.00 55.06 54.70 1y30 s HIS 138 Cb 0.09 -0.26 0.02 0.00 -1.18 0.00 0.00 32.58 31.25 1y30 s HIS 138 CO 0.58 -0.07 -0.04 0.08 -0.65 0.00 0.00 174.74 174.65 1y30 s VAL 139 N -0.76 0.68 0.36 0.89 1.01 -1.26 -0.00 120.40 121.33 1y30 s VAL 139 Ca -0.06 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1y30 s VAL 139 Cb -0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 1y30 s VAL 139 CO -0.00 0.30 0.20 -0.72 0.00 0.00 0.00 175.10 174.88 1y30 s TYR 140 N 1.55 1.74 -4.42 5.22 1.13 -0.73 -4.77 117.35 117.08 1y30 s TYR 140 Ca -0.00 -1.48 0.00 0.00 -1.41 0.00 0.00 57.07 54.18 1y30 s TYR 140 Cb -0.13 -0.91 0.00 0.00 -1.10 0.00 0.00 41.96 39.82 1y30 s TYR 140 CO -0.04 -0.60 0.00 0.41 -2.51 0.00 0.00 175.55 172.80 1y30 n GLY 141 N -0.74 0.92 3.10 5.49 0.00 -1.26 0.55 105.19 113.25 1y30 n GLY 141 Ca 0.01 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.76 1y30 n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y30 s LEU 142 N 0.00 4.13 0.32 0.99 2.96 0.38 -4.98 118.68 122.48 1y30 s LEU 142 Ca 0.00 -1.60 -0.29 0.00 -0.22 0.00 0.00 54.13 52.02 1y30 s LEU 142 Cb 0.00 -1.66 -0.10 0.00 0.50 0.00 0.00 46.19 44.92 1y30 s LEU 142 CO 0.00 -0.30 1.31 -2.84 -1.32 0.00 0.00 176.35 173.20 1y30 s PRO 143 N 1.12 4.35 0.65 0.98 0.02 -1.26 -0.90 135.00 139.96 1y30 s PRO 143 Ca -0.01 2.21 -0.12 0.00 0.02 0.00 0.00 61.00 63.10 1y30 s PRO 143 Cb -0.20 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 1y30 s PRO 143 CO -0.04 -0.20 1.05 -1.25 -0.33 0.00 0.00 177.00 176.22 1y30 s PRO 144 N -1.63 3.20 0.02 5.54 0.04 -1.26 -4.88 135.00 136.04 1y30 s PRO 144 Ca 0.50 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1y30 s PRO 144 Cb -0.40 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1y30 s PRO 144 CO 0.52 -0.89 0.02 0.41 0.04 0.00 0.00 177.00 177.10 1y30 n GLY 145 N -2.03 2.91 3.73 0.56 0.00 -1.26 -5.05 105.19 104.05 1y30 n GLY 145 Ca 0.07 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1y30 n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1y30 s MET 146 N -2.10 4.22 0.00 1.61 1.75 -1.26 -5.11 119.30 118.41 1y30 s MET 146 Ca 0.01 2.37 0.00 0.00 -1.25 0.00 0.00 55.69 56.82 1y30 s MET 146 Cb -0.00 -3.12 0.00 0.00 2.84 0.00 0.00 34.83 34.55 1y30 s MET 146 CO 0.01 -0.54 0.00 2.89 -0.65 0.00 0.00 175.02 176.73