#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y30 h PHE 6 N 0.00 0.62 0.00 3.52 3.04 -2.04 -1.93 116.94 120.14 1y30 h PHE 6 Ca 0.00 -0.07 -0.04 0.00 3.98 0.00 0.00 57.97 61.84 1y30 h PHE 6 Cb 0.00 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1y30 h PHE 6 CO 0.00 0.60 -0.19 -0.44 -2.02 0.00 0.00 178.31 176.26 1y30 h ASP 7 N 0.56 0.00 0.19 0.41 3.32 -2.00 -1.55 116.42 117.35 1y30 h ASP 7 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1y30 h ASP 7 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1y30 h ASP 7 CO 0.01 0.19 -0.16 0.44 -1.72 0.00 0.00 179.24 178.01 1y30 h ASP 8 N 0.00 0.00 0.28 6.45 3.45 -1.78 0.77 116.42 125.59 1y30 h ASP 8 Ca -0.00 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.28 1y30 h ASP 8 Cb 0.47 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 1y30 h ASP 8 CO 0.03 0.16 -0.72 0.11 -1.57 0.00 0.00 179.24 177.24 1y30 h LYS 9 N 0.00 0.38 -0.04 3.56 1.57 -1.31 -1.62 116.57 119.12 1y30 h LYS 9 Ca -0.00 -0.31 -0.21 0.00 -1.87 0.00 0.00 60.65 58.26 1y30 h LYS 9 Cb 0.30 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1y30 h LYS 9 CO 0.02 0.95 -0.84 -0.07 -0.57 0.00 0.00 179.45 178.94 1y30 h LEU 10 N 0.26 0.51 -0.77 2.94 3.38 -1.26 -3.06 115.31 117.31 1y30 h LEU 10 Ca -0.03 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1y30 h LEU 10 Cb 1.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1y30 h LEU 10 CO 0.12 1.15 -0.40 -0.07 0.09 0.00 0.00 178.44 179.33 1y30 h LEU 11 N 0.26 0.47 -1.00 1.67 3.38 -0.83 -2.87 115.31 116.39 1y30 h LEU 11 Ca -0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1y30 h LEU 11 Cb 1.45 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 1y30 h LEU 11 CO 0.15 0.83 0.41 0.00 0.09 0.00 0.00 178.44 179.92 1y30 h ALA 12 N 1.19 1.23 -0.16 1.53 0.00 -1.27 0.79 119.26 122.58 1y30 h ALA 12 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y30 h ALA 12 Cb 0.87 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1y30 h ALA 12 CO 0.07 0.61 0.08 0.28 0.00 0.00 0.00 179.25 180.30 1y30 h VAL 13 N 1.12 1.11 -0.87 0.00 2.07 -1.41 -0.13 116.25 118.15 1y30 h VAL 13 Ca 0.28 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1y30 h VAL 13 Cb 0.06 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1y30 h VAL 13 CO -0.04 0.10 0.56 0.40 0.02 0.00 0.00 177.57 178.62 1y30 h ILE 14 N 0.15 1.16 -0.09 4.57 2.04 -1.26 -2.46 117.51 121.63 1y30 h ILE 14 Ca 0.06 -0.38 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 1y30 h ILE 14 Cb 0.09 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 1y30 h ILE 14 CO -0.01 0.20 -0.38 -1.28 0.00 0.00 0.00 178.15 176.69 1y30 h SER 15 N 1.11 0.19 -0.13 1.72 0.87 -0.49 -3.09 113.55 113.74 1y30 h SER 15 Ca 0.34 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1y30 h SER 15 Cb -0.04 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1y30 h SER 15 CO -0.10 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 1y30 n GLY 16 N -0.29 -0.40 3.20 5.77 0.00 -0.09 -4.89 105.19 108.49 1y30 n GLY 16 Ca -0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.03 0.15 0.00 1.61 3.04 -1.17 -4.93 114.94 112.62 1y30 s ASN 17 Ca 0.10 -1.39 0.00 0.00 0.04 0.00 0.00 52.86 51.61 1y30 s ASN 17 Cb 0.05 0.38 0.00 0.00 -1.54 0.00 0.00 41.25 40.14 1y30 s ASN 17 CO 0.07 -0.84 0.40 -1.54 -3.04 0.00 0.00 177.10 172.15 1y30 n SER 18 N -0.27 0.55 -3.99 -4.21 3.41 -1.26 -4.88 113.62 102.98 1y30 n SER 18 Ca 0.02 -1.16 -0.16 0.00 -0.26 0.00 0.00 58.87 57.31 1y30 n SER 18 Cb 0.66 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.47 1y30 n SER 18 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1y30 s ILE 19 N -0.16 0.48 0.24 -1.33 2.07 -1.26 -0.31 121.20 120.93 1y30 s ILE 19 Ca 0.00 -0.38 -0.04 0.00 -1.41 0.00 0.00 60.65 58.82 1y30 s ILE 19 Cb 0.00 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.17 1y30 s ILE 19 CO 0.00 0.06 0.38 0.61 -1.91 0.00 0.00 174.94 174.08 1y30 n GLY 20 N 2.71 2.12 3.31 1.50 0.00 -0.56 -4.62 105.19 109.65 1y30 n GLY 20 Ca -0.14 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.60 3.95 -0.07 1.61 1.01 0.20 -1.25 120.40 123.25 1y30 s VAL 21 Ca 0.16 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.94 1y30 s VAL 21 Cb -0.01 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1y30 s VAL 21 CO 0.12 -0.11 0.72 -0.22 0.00 0.00 0.00 175.10 175.61 1y30 s LEU 22 N 1.45 4.31 -0.20 3.92 2.96 0.12 -1.53 118.68 129.71 1y30 s LEU 22 Ca 0.00 1.21 -0.00 0.00 -0.22 0.00 0.00 54.13 55.12 1y30 s LEU 22 Cb -0.19 -3.12 0.02 0.00 0.50 0.00 0.00 46.19 43.41 1y30 s LEU 22 CO 0.03 -0.14 -0.14 0.00 -1.32 0.00 0.00 176.35 174.77 1y30 s ALA 23 N 0.92 2.49 0.48 5.97 0.00 -0.14 -2.24 121.76 129.25 1y30 s ALA 23 Ca 0.38 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 51.12 1y30 s ALA 23 Cb -0.18 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1y30 s ALA 23 CO 0.18 -0.49 0.31 0.95 0.00 0.00 0.00 175.76 176.71 1y30 s THR 24 N 1.32 1.97 -0.25 0.00 -4.23 -0.38 -2.88 115.64 111.19 1y30 s THR 24 Ca 0.03 -1.55 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1y30 s THR 24 Cb -0.14 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.18 1y30 s THR 24 CO -0.09 0.00 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.35 1y30 s ILE 25 N -2.68 3.41 1.28 2.99 1.01 -1.26 -0.77 121.20 125.17 1y30 s ILE 25 Ca 0.37 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1y30 s ILE 25 Cb -0.01 -2.66 0.31 0.00 0.01 0.00 0.00 42.46 40.12 1y30 s ILE 25 CO 0.22 0.26 1.01 -0.54 0.00 0.00 0.00 174.94 175.89 1y30 s LYS 26 N 1.44 -1.79 0.29 2.79 1.02 0.16 -4.78 119.74 118.87 1y30 s LYS 26 Ca 0.03 0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.27 1y30 s LYS 26 Cb -0.16 -1.50 0.45 0.00 -0.52 0.00 0.00 37.83 36.10 1y30 s LYS 26 CO -0.02 -4.16 1.87 1.12 -0.92 0.00 0.00 175.35 173.24 1y30 h HIS 27 N -2.91 0.85 -0.07 3.18 2.07 -1.95 -2.26 115.15 114.07 1y30 h HIS 27 Ca -0.49 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 56.98 1y30 h HIS 27 Cb 1.33 -0.26 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1y30 h HIS 27 CO -1.89 0.67 0.00 -0.40 -3.07 0.00 0.00 177.93 173.24 1y30 n ASP 28 N -4.31 0.73 0.00 3.10 5.68 -1.26 -4.90 116.55 115.59 1y30 n ASP 28 Ca 0.05 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1y30 n ASP 28 Cb 0.18 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 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 0.95 1.73 3.79 6.12 0.00 -0.85 -5.05 105.19 111.88 1y30 n GLY 29 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1y30 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y30 s ARG 30 N -0.70 4.03 0.53 1.61 3.52 -1.26 -4.67 118.95 122.01 1y30 s ARG 30 Ca 0.00 1.44 -0.20 0.00 -0.13 0.00 0.00 55.73 56.84 1y30 s ARG 30 Cb 0.00 -2.36 -0.06 0.00 -1.56 0.00 0.00 34.95 30.97 1y30 s ARG 30 CO 0.00 -0.25 1.13 -2.14 -0.81 0.00 0.00 175.30 173.23 1y30 s PRO 31 N -2.80 3.40 -0.06 5.12 0.02 -1.26 -0.67 135.00 138.76 1y30 s PRO 31 Ca 0.62 1.62 0.03 0.00 0.02 0.00 0.00 61.00 63.29 1y30 s PRO 31 Cb -0.19 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1y30 s PRO 31 CO 0.24 -0.81 -0.16 -1.14 -0.33 0.00 0.00 177.00 174.80 1y30 s GLN 32 N -3.23 1.98 0.09 5.54 -0.44 0.05 -4.79 119.66 118.86 1y30 s GLN 32 Ca 0.72 -0.58 0.10 0.00 -2.50 0.00 0.00 55.36 53.10 1y30 s GLN 32 Cb -0.24 -1.63 -0.03 0.00 -1.64 0.00 0.00 33.01 29.46 1y30 s GLN 32 CO 0.27 0.15 -0.26 -0.51 0.50 0.00 0.00 175.29 175.44 1y30 s LEU 33 N 0.34 2.25 0.03 3.68 1.43 -1.26 -1.25 118.68 123.90 1y30 s LEU 33 Ca -0.11 -0.67 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 1y30 s LEU 33 Cb -0.14 -1.19 0.09 0.00 0.03 0.00 0.00 46.19 44.98 1y30 s LEU 33 CO 0.04 0.20 0.90 -0.94 0.23 0.00 0.00 176.35 176.77 1y30 s SER 34 N -1.67 -0.33 0.13 2.29 1.04 -0.95 -5.02 113.70 109.18 1y30 s SER 34 Ca 0.12 -0.07 0.02 0.00 0.48 0.00 0.00 55.95 56.50 1y30 s SER 34 Cb -0.10 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1y30 s SER 34 CO 0.04 -0.68 0.25 0.54 0.98 0.00 0.00 173.24 174.37 1y30 s ASN 35 N -2.58 6.24 0.03 7.02 2.20 -1.26 0.15 114.94 126.75 1y30 s ASN 35 Ca 0.06 0.16 -0.06 0.00 -0.94 0.00 0.00 52.86 52.08 1y30 s ASN 35 Cb -0.01 -1.87 -0.01 0.00 -2.00 0.00 0.00 41.25 37.37 1y30 s ASN 35 CO -0.07 0.08 0.12 0.68 -2.94 0.00 0.00 177.10 174.97 1y30 s VAL 36 N -1.68 0.12 0.19 3.54 -7.23 -0.38 -4.85 120.40 110.11 1y30 s VAL 36 Ca 0.34 -0.96 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 1y30 s VAL 36 Cb -0.11 -0.77 -0.07 0.00 0.56 0.00 0.00 36.38 35.99 1y30 s VAL 36 CO 0.28 -0.53 0.53 -1.58 -0.31 0.00 0.00 175.10 173.49 1y30 s GLN 37 N -2.27 3.84 0.23 4.82 0.74 -1.26 -1.49 119.66 124.27 1y30 s GLN 37 Ca -0.08 0.32 -0.10 0.00 0.05 0.00 0.00 55.36 55.55 1y30 s GLN 37 Cb -0.03 -2.77 -0.01 0.00 1.10 0.00 0.00 33.01 31.30 1y30 s GLN 37 CO -0.03 0.39 0.39 1.52 -0.55 0.00 0.00 175.29 177.01 1y30 s TYR 38 N -1.67 0.54 -0.06 1.67 1.13 0.57 -4.50 117.35 115.03 1y30 s TYR 38 Ca 0.43 -0.87 0.03 0.00 -1.41 0.00 0.00 57.07 55.25 1y30 s TYR 38 Cb -0.13 0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1y30 s TYR 38 CO 0.20 -0.90 -0.14 -1.58 -2.51 0.00 0.00 175.55 170.63 1y30 s HIS 39 N -4.05 1.55 -0.27 -3.49 2.46 -0.08 -4.71 115.29 106.71 1y30 s HIS 39 Ca 0.26 -0.52 -0.08 0.00 0.47 0.00 0.00 55.06 55.18 1y30 s HIS 39 Cb 0.01 -1.09 -0.03 0.00 -0.13 0.00 0.00 32.58 31.34 1y30 s HIS 39 CO 0.09 -0.23 0.11 0.12 -2.47 0.00 0.00 174.74 172.35 1y30 s PHE 40 N 0.41 3.13 -0.50 3.88 5.99 -1.26 0.21 117.98 129.83 1y30 s PHE 40 Ca -0.10 -0.37 -0.18 0.00 0.00 0.00 0.00 56.93 56.27 1y30 s PHE 40 Cb -0.14 -2.28 0.06 0.00 0.00 0.00 0.00 43.02 40.66 1y30 s PHE 40 CO 0.03 -0.35 0.58 0.34 -0.00 0.00 0.00 175.22 175.82 1y30 s ASP 41 N 1.64 6.21 0.44 6.13 3.68 0.68 -4.92 116.67 130.53 1y30 s ASP 41 Ca 0.06 -0.99 0.22 0.00 2.13 0.00 0.00 52.55 53.96 1y30 s ASP 41 Cb -0.16 -2.27 0.98 0.00 -1.45 0.00 0.00 42.92 40.03 1y30 s ASP 41 CO 0.05 -0.84 1.88 1.55 0.13 0.00 0.00 175.17 177.94 1y30 h PRO 42 N 8.94 0.00 -0.01 4.34 0.13 -1.96 0.26 132.00 143.70 1y30 h PRO 42 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1y30 h PRO 42 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1y30 h PRO 42 CO 0.95 0.26 0.01 -0.09 -0.23 0.00 0.00 178.00 178.89 1y30 h ARG 43 N 0.00 0.02 -0.12 0.86 2.43 -1.96 -3.18 114.38 112.43 1y30 h ARG 43 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1y30 h ARG 43 Cb 0.65 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1y30 h ARG 43 CO 0.03 0.02 0.00 1.63 -1.51 0.00 0.00 179.97 180.14 1y30 n LYS 44 N -5.08 1.49 -3.46 0.20 5.02 -1.20 -4.99 118.16 110.14 1y30 n LYS 44 Ca -0.07 -1.59 -0.22 0.00 -2.02 0.00 0.00 58.31 54.41 1y30 n LYS 44 Cb 0.03 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.85 -4.28 -4.32 -0.35 4.77 0.83 -4.79 117.00 109.71 1y30 n LEU 45 Ca 0.10 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 55.06 1y30 n LEU 45 Cb 0.40 -2.78 -0.11 0.00 -2.33 0.00 0.00 43.42 38.60 1y30 n LEU 45 CO 0.10 0.19 -0.47 -0.76 -1.33 0.00 0.00 177.39 175.12 1y30 s LEU 46 N -5.78 2.45 -0.15 2.23 1.43 -0.65 -1.85 118.68 116.36 1y30 s LEU 46 Ca 0.42 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1y30 s LEU 46 Cb -0.11 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.38 1y30 s LEU 46 CO 0.80 -0.08 -0.16 -0.63 0.23 0.00 0.00 176.35 176.52 1y30 s ILE 47 N -2.21 1.67 -0.15 -0.59 1.01 -0.94 -0.23 121.20 119.77 1y30 s ILE 47 Ca 0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 1y30 s ILE 47 Cb -0.05 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1y30 s ILE 47 CO 0.06 0.48 -0.07 -1.10 0.00 0.00 0.00 174.94 174.30 1y30 s GLN 48 N 1.41 3.57 0.05 2.79 -0.21 0.13 -1.29 119.66 126.11 1y30 s GLN 48 Ca 0.04 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.85 1y30 s GLN 48 Cb -0.13 -2.81 -0.03 0.00 1.00 0.00 0.00 33.01 31.04 1y30 s GLN 48 CO -0.10 0.24 -0.06 0.14 -2.12 0.00 0.00 175.29 173.38 1y30 s VAL 49 N 0.35 0.42 -0.14 1.09 -7.23 -0.15 -0.90 120.40 113.83 1y30 s VAL 49 Ca -0.07 -1.32 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 1y30 s VAL 49 Cb -0.15 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 1y30 s VAL 49 CO 0.04 -0.60 0.05 -0.55 -0.31 0.00 0.00 175.10 173.73 1y30 s SER 50 N -2.05 5.62 0.19 4.85 0.15 -1.26 0.73 113.70 121.94 1y30 s SER 50 Ca -0.05 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 1y30 s SER 50 Cb -0.04 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1y30 s SER 50 CO -0.03 0.28 0.13 0.27 1.20 0.00 0.00 173.24 175.09 1y30 s ILE 51 N -0.26 0.01 -0.13 6.45 -4.36 -0.01 -4.93 121.20 117.97 1y30 s ILE 51 Ca 0.08 -1.97 -0.02 0.00 -0.26 0.00 0.00 60.65 58.48 1y30 s ILE 51 Cb -0.12 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.14 1y30 s ILE 51 CO 0.02 -0.07 -0.05 0.00 0.24 0.00 0.00 174.94 175.08 1y30 s ALA 52 N -4.14 2.97 0.22 2.27 0.00 -1.26 0.06 121.76 121.87 1y30 s ALA 52 Ca 0.36 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1y30 s ALA 52 Cb 0.07 -1.46 0.25 0.00 0.00 0.00 0.00 23.12 21.98 1y30 s ALA 52 CO 0.10 0.30 1.59 1.49 0.00 0.00 0.00 175.76 179.24 1y30 h GLU 53 N 6.39 -0.05 0.00 0.00 4.57 -1.56 -0.51 114.58 123.42 1y30 h GLU 53 Ca -0.34 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1y30 h GLU 53 Cb 1.19 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1y30 h GLU 53 CO 0.60 -0.03 0.00 -1.00 -1.18 0.00 0.00 179.01 177.39 1y30 h PRO 54 N -0.05 0.00 -7.04 0.92 0.13 -1.88 -3.34 132.00 120.73 1y30 h PRO 54 Ca 0.32 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.92 1y30 h PRO 54 Cb 0.56 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.79 1y30 h PRO 54 CO -0.77 0.00 0.53 1.03 -0.23 0.00 0.00 178.00 178.56 1y30 s ARG 55 N -3.80 3.34 0.16 0.86 1.81 -0.20 -4.84 118.95 116.28 1y30 s ARG 55 Ca -0.01 1.96 -0.20 0.00 -1.72 0.00 0.00 55.73 55.75 1y30 s ARG 55 Cb 0.10 -2.24 0.06 0.00 -0.45 0.00 0.00 34.95 32.42 1y30 s ARG 55 CO 0.43 -0.94 1.65 0.00 -0.68 0.00 0.00 175.30 175.75 1y30 h ALA 56 N 1.55 0.04 -0.98 2.13 0.00 -1.87 -1.58 119.26 118.56 1y30 h ALA 56 Ca -0.50 0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.68 1y30 h ALA 56 Cb 1.28 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 19.39 1y30 h ALA 56 CO 0.58 -0.57 0.61 1.57 0.00 0.00 0.00 179.25 181.44 1y30 h LYS 57 N -0.14 0.78 0.09 0.00 2.10 -1.92 0.67 116.57 118.15 1y30 h LYS 57 Ca 0.16 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1y30 h LYS 57 Cb 0.39 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.54 1y30 h LYS 57 CO -0.39 0.51 -0.05 1.15 -2.00 0.00 0.00 179.45 178.68 1y30 h THR 58 N 0.80 1.13 -0.39 0.07 2.02 -1.56 -1.55 112.91 113.44 1y30 h THR 58 Ca 0.52 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.80 1y30 h THR 58 Cb 0.76 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1y30 h THR 58 CO -0.30 0.22 0.26 0.03 0.37 0.00 0.00 175.52 176.10 1y30 h ARG 59 N -0.56 0.39 -0.10 6.66 3.08 -0.87 -1.48 114.38 121.50 1y30 h ARG 59 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1y30 h ARG 59 Cb 0.46 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1y30 h ARG 59 CO 0.02 0.26 0.01 -0.91 -1.07 0.00 0.00 179.97 178.28 1y30 h ASN 60 N 0.40 0.15 0.37 7.04 2.35 -0.73 -3.01 115.58 122.16 1y30 h ASN 60 Ca 0.16 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1y30 h ASN 60 Cb 0.13 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1y30 h ASN 60 CO -0.04 0.38 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.94 1y30 h LEU 61 N -0.08 0.00 -0.78 1.61 3.38 -0.53 -0.31 115.31 118.61 1y30 h LEU 61 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1y30 h LEU 61 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1y30 h LEU 61 CO 0.00 0.11 -0.32 0.03 0.09 0.00 0.00 178.44 178.36 1y30 h ARG 62 N 0.00 0.56 0.15 1.13 2.47 -1.17 -2.69 114.38 114.83 1y30 h ARG 62 Ca -0.00 -0.25 -0.34 0.00 -1.26 0.00 0.00 59.98 58.13 1y30 h ARG 62 Cb 0.33 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1y30 h ARG 62 CO 0.01 0.81 -1.74 -0.09 0.56 0.00 0.00 179.97 179.52 1y30 h ARG 63 N 0.48 0.31 -2.76 0.04 2.43 -1.43 -3.44 114.38 110.00 1y30 h ARG 63 Ca 0.06 -0.53 -0.44 0.00 -0.81 0.00 0.00 59.98 58.26 1y30 h ARG 63 Cb 0.78 0.20 -0.39 0.00 -0.42 0.00 0.00 29.97 30.14 1y30 h ARG 63 CO 0.06 1.20 -0.73 0.34 -1.51 0.00 0.00 179.97 179.33 1y30 s ASP 64 N -7.09 2.52 0.00 -3.80 3.68 -0.16 -5.03 116.67 106.78 1y30 s ASP 64 Ca -0.15 -0.80 0.23 0.00 2.13 0.00 0.00 52.55 53.96 1y30 s ASP 64 Cb 0.06 -0.08 1.32 0.00 -1.45 0.00 0.00 42.92 42.77 1y30 s ASP 64 CO 0.84 -0.38 1.76 -0.81 0.13 0.00 0.00 175.17 176.71 1y30 n PRO 65 N 5.28 0.60 -2.19 4.34 -0.04 -1.02 -3.75 135.00 138.22 1y30 n PRO 65 Ca -0.06 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.01 1y30 n PRO 65 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.19 4.35 0.03 0.54 0.52 -1.26 0.34 118.95 121.28 1y30 s ARG 66 Ca 0.31 2.07 -0.11 0.00 -0.52 0.00 0.00 55.73 57.48 1y30 s ARG 66 Cb 0.16 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.41 1y30 s ARG 66 CO 0.30 -0.36 0.23 0.00 0.02 0.00 0.00 175.30 175.48 1y30 s ALA 67 N 0.68 -0.48 0.06 2.13 0.00 -0.55 -4.48 121.76 119.12 1y30 s ALA 67 Ca 0.61 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1y30 s ALA 67 Cb -0.37 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1y30 s ALA 67 CO 0.34 -0.35 -0.08 -1.12 0.00 0.00 0.00 175.76 174.54 1y30 s SER 68 N -1.96 1.00 -0.04 0.00 0.01 -1.14 -1.34 113.70 110.23 1y30 s SER 68 Ca -0.07 -0.64 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1y30 s SER 68 Cb -0.02 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.28 1y30 s SER 68 CO -0.03 -0.24 0.06 -0.63 0.41 0.00 0.00 173.24 172.82 1y30 s ILE 69 N -1.77 -0.09 -0.08 1.44 1.01 0.08 -0.97 121.20 120.82 1y30 s ILE 69 Ca -0.05 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 1y30 s ILE 69 Cb -0.07 -0.17 -0.05 0.00 0.01 0.00 0.00 42.46 42.18 1y30 s ILE 69 CO -0.00 0.17 0.35 -0.22 0.00 0.00 0.00 174.94 175.24 1y30 s LEU 70 N 2.16 4.36 -0.04 2.97 0.20 -0.58 -1.20 118.68 126.55 1y30 s LEU 70 Ca 0.05 0.74 0.03 0.00 0.69 0.00 0.00 54.13 55.63 1y30 s LEU 70 Cb -0.12 -2.47 0.00 0.00 -0.43 0.00 0.00 46.19 43.17 1y30 s LEU 70 CO -0.03 0.21 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.43 1y30 s VAL 71 N -0.32 1.08 0.27 1.68 1.01 -0.08 -0.62 120.40 123.41 1y30 s VAL 71 Ca 0.21 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 1y30 s VAL 71 Cb -0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1y30 s VAL 71 CO 0.09 0.33 0.80 -1.81 0.00 0.00 0.00 175.10 174.50 1y30 s ASP 72 N 0.27 7.11 1.01 3.32 1.01 -1.26 -1.49 116.67 126.65 1y30 s ASP 72 Ca -0.06 1.54 -0.16 0.00 0.71 0.00 0.00 52.55 54.57 1y30 s ASP 72 Cb -0.11 -2.47 0.21 0.00 1.01 0.00 0.00 42.92 41.56 1y30 s ASP 72 CO 0.02 -0.03 1.21 0.00 0.21 0.00 0.00 175.17 176.59 1y30 s ALA 73 N -1.61 1.69 -1.41 5.23 0.00 0.50 -4.84 121.76 121.32 1y30 s ALA 73 Ca 0.46 -0.96 0.13 0.00 0.00 0.00 0.00 51.96 51.60 1y30 s ALA 73 Cb -0.16 -2.87 0.65 0.00 0.00 0.00 0.00 23.12 20.74 1y30 s ALA 73 CO 0.21 -2.70 1.34 -0.40 0.00 0.00 0.00 175.76 174.21 1y30 n ASP 74 N -4.03 0.00 -0.63 0.00 5.68 -1.26 -1.45 116.55 114.85 1y30 n ASP 74 Ca 0.12 0.11 0.13 0.00 -0.50 0.00 0.00 54.79 54.66 1y30 n ASP 74 Cb 0.59 -0.29 0.39 0.00 -1.14 0.00 0.00 41.12 40.68 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 -1.29 1.96 0.00 -1.12 5.68 -1.26 -4.95 116.55 115.57 1y30 n ASP 75 Ca 0.06 -1.66 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 1y30 n ASP 75 Cb 0.11 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1y30 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y30 n GLY 76 N 1.23 0.26 0.83 6.12 0.00 -0.53 -4.71 105.19 108.38 1y30 n GLY 76 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1y30 n GLY 76 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1y30 n TRP 77 N -2.21 0.00 -1.69 1.61 -0.00 -1.26 -4.91 117.44 108.97 1y30 n TRP 77 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 1y30 n TRP 77 Cb 0.19 0.07 0.05 0.00 -0.00 0.00 0.00 31.31 31.62 1y30 n TRP 77 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1y30 s SER 78 N -4.63 4.98 0.28 5.87 0.01 -1.26 -4.87 113.70 114.07 1y30 s SER 78 Ca 0.00 2.02 -0.20 0.00 1.31 0.00 0.00 55.95 59.08 1y30 s SER 78 Cb 0.00 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.70 1y30 s SER 78 CO 0.00 -1.72 0.70 -0.72 0.41 0.00 0.00 173.24 171.92 1y30 s TYR 79 N -2.34 -0.15 0.02 2.43 1.13 -0.83 -0.37 117.35 117.23 1y30 s TYR 79 Ca 0.67 -0.31 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 1y30 s TYR 79 Cb -0.21 0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1y30 s TYR 79 CO 0.43 -1.23 -0.04 0.00 -2.51 0.00 0.00 175.55 172.20 1y30 s ALA 80 N -3.90 0.21 -0.11 9.51 0.00 -0.55 -1.76 121.76 125.15 1y30 s ALA 80 Ca 0.12 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1y30 s ALA 80 Cb -0.06 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.19 1y30 s ALA 80 CO 0.07 -0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.69 1y30 s VAL 81 N -1.24 1.26 -0.10 0.00 1.01 0.12 -0.90 120.40 120.55 1y30 s VAL 81 Ca -0.12 -0.48 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1y30 s VAL 81 Cb -0.09 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 1y30 s VAL 81 CO -0.01 0.40 0.27 0.00 0.00 0.00 0.00 175.10 175.76 1y30 s ALA 82 N 1.24 3.72 -0.03 5.51 0.00 -0.34 -2.13 121.76 129.74 1y30 s ALA 82 Ca -0.03 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.53 1y30 s ALA 82 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1y30 s ALA 82 CO -0.04 0.39 -0.18 -2.00 0.00 0.00 0.00 175.76 173.92 1y30 s GLU 83 N -0.50 1.67 0.00 0.00 2.12 -0.22 -0.74 118.70 121.02 1y30 s GLU 83 Ca 0.18 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1y30 s GLU 83 Cb -0.14 -1.53 0.00 0.00 0.26 0.00 0.00 34.13 32.73 1y30 s GLU 83 CO 0.07 0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1y30 n GLY 84 N 2.86 1.02 3.09 -1.50 0.00 -0.45 -1.40 105.19 108.81 1y30 n GLY 84 Ca -0.16 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.33 2.22 0.52 2.61 2.01 -1.26 -1.48 115.64 117.94 1y30 s THR 85 Ca 0.00 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.28 1y30 s THR 85 Cb 0.00 -2.25 -0.07 0.00 0.01 0.00 0.00 72.50 70.19 1y30 s THR 85 CO 0.00 0.05 1.02 0.00 -0.69 0.00 0.00 174.62 175.00 1y30 n ALA 86 N 4.47 0.35 -3.96 7.40 0.00 0.15 -4.43 120.51 124.50 1y30 n ALA 86 Ca -0.15 0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1y30 n ALA 86 Cb 0.43 -2.12 -0.16 0.00 0.00 0.00 0.00 19.45 17.60 1y30 n ALA 86 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y30 s GLN 87 N -2.45 1.79 -0.00 0.00 -0.21 0.31 -4.86 119.66 114.24 1y30 s GLN 87 Ca 0.70 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 55.24 1y30 s GLN 87 Cb -0.47 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1y30 s GLN 87 CO 0.52 -0.49 -0.01 -0.51 -2.12 0.00 0.00 175.29 172.67 1y30 s LEU 88 N 1.43 3.45 0.62 2.90 1.02 -1.26 -1.26 118.68 125.57 1y30 s LEU 88 Ca -0.03 -0.03 -0.04 0.00 0.02 0.00 0.00 54.13 54.05 1y30 s LEU 88 Cb -0.17 -1.98 0.03 0.00 0.02 0.00 0.00 46.19 44.10 1y30 s LEU 88 CO -0.07 0.28 0.90 0.42 0.02 0.00 0.00 176.35 177.90 1y30 s THR 89 N -1.07 2.93 1.07 5.49 -4.23 -1.16 -5.03 115.64 113.64 1y30 s THR 89 Ca 0.19 -0.28 -0.17 0.00 -1.18 0.00 0.00 61.69 60.26 1y30 s THR 89 Cb -0.11 -3.18 0.23 0.00 1.34 0.00 0.00 72.50 70.77 1y30 s THR 89 CO 0.10 -0.18 1.17 -2.16 -0.54 0.00 0.00 174.62 173.01 1y30 s PRO 90 N -5.02 -0.14 0.47 3.99 0.04 -1.26 -4.67 135.00 128.42 1y30 s PRO 90 Ca 0.57 -0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.36 1y30 s PRO 90 Cb -0.11 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 1y30 s PRO 90 CO 0.43 -2.99 0.97 -1.25 0.04 0.00 0.00 177.00 174.20 1y30 s PRO 91 N -5.49 4.05 0.21 0.56 0.04 -1.26 -4.70 135.00 128.41 1y30 s PRO 91 Ca 0.70 1.07 -0.32 0.00 0.04 0.00 0.00 61.00 62.49 1y30 s PRO 91 Cb -0.10 -2.15 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 1y30 s PRO 91 CO 0.55 -0.18 1.38 0.00 0.04 0.00 0.00 177.00 178.79 1y30 n ALA 92 N -1.09 0.70 0.00 8.56 0.00 -0.45 -4.85 120.51 123.37 1y30 n ALA 92 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1y30 n ALA 92 Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1y30 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y30 n ALA 93 N 2.09 1.78 -3.07 0.00 0.00 -1.26 -4.63 120.51 115.42 1y30 n ALA 93 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 1y30 n ALA 93 Cb 0.29 0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.78 -0.29 -0.47 0.00 0.00 -1.26 -5.03 121.76 112.93 1y30 s ALA 94 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.05 1y30 s ALA 94 Cb 0.00 0.01 0.58 0.00 0.00 0.00 0.00 23.12 23.71 1y30 s ALA 94 CO 0.00 -0.16 1.29 -0.35 0.00 0.00 0.00 175.76 176.53 1y30 n PRO 95 N 1.94 0.07 -0.03 0.00 -0.04 -1.26 -2.14 135.00 133.53 1y30 n PRO 95 Ca -0.20 0.54 0.02 0.00 -0.04 0.00 0.00 63.50 63.82 1y30 n PRO 95 Cb 0.57 -1.80 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1y30 n PRO 95 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1y30 n ASP 96 N -1.86 1.93 -4.85 3.54 5.75 -1.26 -4.82 116.55 114.97 1y30 n ASP 96 Ca -0.01 -1.71 -0.29 0.00 -0.01 0.00 0.00 54.79 52.77 1y30 n ASP 96 Cb 0.09 -0.04 0.09 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 -0.76 4.40 0.45 -1.12 1.47 -0.91 -4.84 116.67 115.36 1y30 s ASP 97 Ca 0.05 0.97 0.18 0.00 1.18 0.00 0.00 52.55 54.94 1y30 s ASP 97 Cb 0.03 -1.58 1.13 0.00 -0.34 0.00 0.00 42.92 42.16 1y30 s ASP 97 CO 0.04 -1.99 1.93 0.44 0.68 0.00 0.00 175.17 176.28 1y30 h ASP 98 N -1.11 0.31 -0.22 2.11 3.32 -1.97 -1.83 116.42 117.03 1y30 h ASP 98 Ca -0.47 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1y30 h ASP 98 Cb 1.31 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1y30 h ASP 98 CO 0.64 0.16 -0.04 0.74 -1.72 0.00 0.00 179.24 179.01 1y30 h THR 99 N 0.33 1.28 -0.59 0.35 2.02 -1.92 -1.90 112.91 112.46 1y30 h THR 99 Ca 0.35 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1y30 h THR 99 Cb 0.91 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1y30 h THR 99 CO -0.09 0.31 0.33 0.58 0.37 0.00 0.00 175.52 177.02 1y30 h VAL 100 N 0.15 1.18 -0.33 3.16 2.07 -1.65 -1.18 116.25 119.65 1y30 h VAL 100 Ca 0.06 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1y30 h VAL 100 Cb 0.48 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1y30 h VAL 100 CO 0.02 0.19 0.06 -0.33 0.02 0.00 0.00 177.57 177.53 1y30 h GLU 101 N 0.82 0.55 -0.15 1.57 4.39 -1.14 -0.34 114.58 120.28 1y30 h GLU 101 Ca 0.21 -0.14 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1y30 h GLU 101 Cb 0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1y30 h GLU 101 CO -0.04 0.62 -0.17 0.00 -1.16 0.00 0.00 179.01 178.27 1y30 h ALA 102 N 0.90 1.45 -0.04 3.43 0.00 -0.92 -1.87 119.26 122.20 1y30 h ALA 102 Ca 0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1y30 h ALA 102 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1y30 h ALA 102 CO 0.01 0.39 -0.63 -0.07 0.00 0.00 0.00 179.25 178.94 1y30 h LEU 103 N 0.23 0.18 -0.72 0.00 3.38 -0.86 -1.52 115.31 116.00 1y30 h LEU 103 Ca 0.04 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1y30 h LEU 103 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1y30 h LEU 103 CO 0.03 0.76 -0.17 0.40 0.09 0.00 0.00 178.44 179.55 1y30 h ILE 104 N 0.11 1.27 -0.42 1.22 2.04 -0.36 -1.02 117.51 120.35 1y30 h ILE 104 Ca -0.01 -1.27 -0.08 0.00 1.00 0.00 0.00 64.86 64.50 1y30 h ILE 104 Cb 1.14 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.33 1y30 h ILE 104 CO 0.09 0.43 -0.05 0.00 0.00 0.00 0.00 178.15 178.62 1y30 h ALA 105 N 1.09 0.57 0.01 1.87 0.00 -1.12 -2.49 119.26 119.19 1y30 h ALA 105 Ca 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y30 h ALA 105 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1y30 h ALA 105 CO 0.05 0.41 -0.01 1.25 0.00 0.00 0.00 179.25 180.95 1y30 h LEU 106 N 0.60 -0.01 -0.97 0.00 5.85 -1.09 -2.60 115.31 117.08 1y30 h LEU 106 Ca 0.11 -0.17 0.18 0.00 0.84 0.00 0.00 57.88 58.84 1y30 h LEU 106 Cb 0.57 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 1y30 h LEU 106 CO 0.03 0.16 0.58 0.22 -0.34 0.00 0.00 178.44 179.09 1y30 h TYR 107 N -0.19 1.01 -0.84 1.25 5.03 -1.16 0.25 116.97 122.33 1y30 h TYR 107 Ca -0.00 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1y30 h TYR 107 Cb 0.18 -0.30 -0.04 0.00 1.55 0.00 0.00 36.73 38.12 1y30 h TYR 107 CO -0.02 0.23 0.43 0.00 -1.32 0.00 0.00 178.16 177.49 1y30 h ARG 108 N 0.74 1.18 -0.04 1.82 3.08 -1.18 0.16 114.38 120.15 1y30 h ARG 108 Ca 0.55 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 60.31 1y30 h ARG 108 Cb 0.84 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1y30 h ARG 108 CO -0.38 0.88 -0.61 -0.91 -1.07 0.00 0.00 179.97 177.88 1y30 h ASN 109 N 1.18 0.16 0.00 7.04 2.35 -0.23 -1.97 115.58 124.10 1y30 h ASN 109 Ca 0.29 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1y30 h ASN 109 Cb 0.07 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1y30 h ASN 109 CO -0.04 0.73 -0.21 0.40 -1.65 0.00 0.00 177.43 176.66 1y30 h ILE 110 N 0.10 0.00 0.00 2.81 1.08 -0.51 -3.43 117.51 117.56 1y30 h ILE 110 Ca -0.01 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1y30 h ILE 110 Cb 1.10 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1y30 h ILE 110 CO 0.09 0.00 -1.97 0.00 -0.69 0.00 0.00 178.15 175.58 1y30 n ALA 111 N -2.98 2.86 0.00 1.87 0.00 0.51 -5.09 120.51 117.68 1y30 n ALA 111 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1y30 n ALA 111 Cb 0.11 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.27 0.22 3.57 0.00 0.00 -0.74 -4.96 105.19 104.55 1y30 n GLY 112 Ca -0.04 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 3.63 0.73 1.61 2.56 -1.26 -3.37 118.70 122.59 1y30 s GLU 113 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 54.97 54.99 1y30 s GLU 113 Cb 0.00 -3.86 0.04 0.00 2.00 0.00 0.00 34.13 32.31 1y30 s GLU 113 CO 0.00 -0.96 1.19 -1.58 -0.56 0.00 0.00 175.26 173.35 1y30 s HIS 114 N 3.19 2.14 -0.14 5.30 5.65 -1.26 -4.98 115.29 125.19 1y30 s HIS 114 Ca 0.31 1.60 -0.17 0.00 0.25 0.00 0.00 55.06 57.05 1y30 s HIS 114 Cb -0.13 -3.41 -0.15 0.00 -1.18 0.00 0.00 32.58 27.72 1y30 s HIS 114 CO 0.19 -2.44 0.36 0.77 -0.65 0.00 0.00 174.74 172.97 1y30 h SER 115 N -0.31 0.00 -3.17 9.88 0.02 -2.03 -3.41 113.55 114.53 1y30 h SER 115 Ca -0.47 -0.53 -0.68 0.00 -0.84 0.00 0.00 61.79 59.27 1y30 h SER 115 Cb 1.28 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.45 1y30 h SER 115 CO 0.50 0.89 -0.23 -0.67 -1.14 0.00 0.00 176.83 176.18 1y30 n ASP 116 N -4.64 3.91 -0.28 3.07 4.64 -1.26 -4.92 116.55 117.07 1y30 n ASP 116 Ca -0.10 -3.19 0.21 0.00 -1.38 0.00 0.00 54.79 50.33 1y30 n ASP 116 Cb 0.34 -0.95 0.50 0.00 -1.04 0.00 0.00 41.12 39.97 1y30 n ASP 116 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 1y30 h TRP 117 N 5.68 0.61 -0.74 -0.67 -0.00 -1.99 0.13 115.95 118.96 1y30 h TRP 117 Ca 0.16 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 59.04 1y30 h TRP 117 Cb 0.78 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 29.72 1y30 h TRP 117 CO 0.72 0.12 0.32 -0.44 -0.00 0.00 0.00 178.44 179.16 1y30 h ASP 118 N 0.42 1.00 -0.06 -3.49 3.32 -1.99 0.58 116.42 116.20 1y30 h ASP 118 Ca 0.53 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 1y30 h ASP 118 Cb 1.31 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1y30 h ASP 118 CO -0.23 0.88 -0.32 -0.78 -1.72 0.00 0.00 179.24 177.08 1y30 h ASP 119 N 1.06 0.54 -0.12 6.45 3.58 -1.21 -2.14 116.42 124.57 1y30 h ASP 119 Ca 0.25 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1y30 h ASP 119 Cb 0.17 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 1y30 h ASP 119 CO -0.03 0.83 0.04 0.22 -2.88 0.00 0.00 179.24 177.43 1y30 h TYR 120 N 0.45 0.19 -0.98 0.28 3.20 -0.55 -0.85 116.97 118.72 1y30 h TYR 120 Ca 0.06 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1y30 h TYR 120 Cb 0.78 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 1y30 h TYR 120 CO 0.03 0.30 0.63 0.00 -1.64 0.00 0.00 178.16 177.48 1y30 h ARG 121 N 0.03 1.11 -0.48 1.82 3.08 -0.76 0.60 114.38 119.78 1y30 h ARG 121 Ca 0.04 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1y30 h ARG 121 Cb 0.19 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1y30 h ARG 121 CO -0.00 0.74 0.09 0.37 -1.07 0.00 0.00 179.97 180.09 1y30 h GLN 122 N 1.15 0.80 -0.40 0.04 4.15 -1.13 -2.88 115.11 116.83 1y30 h GLN 122 Ca 0.42 -0.21 -0.07 0.00 0.77 0.00 0.00 58.65 59.57 1y30 h GLN 122 Cb 0.15 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1y30 h GLN 122 CO -0.17 0.79 -0.00 0.00 -1.93 0.00 0.00 178.83 177.52 1y30 h ALA 123 N 0.97 0.54 -0.93 3.38 0.00 -0.34 -1.36 119.26 121.51 1y30 h ALA 123 Ca 0.15 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1y30 h ALA 123 Cb 0.38 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1y30 h ALA 123 CO 0.01 0.33 0.58 0.52 0.00 0.00 0.00 179.25 180.69 1y30 h MET 124 N 0.54 0.99 -0.23 0.00 2.86 -0.84 -0.30 114.93 117.95 1y30 h MET 124 Ca 0.11 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 1y30 h MET 124 Cb 0.49 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1y30 h MET 124 CO 0.02 0.65 -0.47 0.28 1.06 0.00 0.00 176.91 178.46 1y30 h VAL 125 N 1.02 1.30 -0.42 -2.22 2.07 -1.39 0.07 116.25 116.68 1y30 h VAL 125 Ca 0.42 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 1y30 h VAL 125 Cb 0.27 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1y30 h VAL 125 CO -0.20 0.53 0.07 0.74 0.02 0.00 0.00 177.57 178.72 1y30 h THR 126 N 0.45 1.20 -0.43 2.57 2.02 -0.65 -2.27 112.91 115.81 1y30 h THR 126 Ca 0.01 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1y30 h THR 126 Cb 1.07 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1y30 h THR 126 CO 0.10 0.27 0.00 0.47 0.37 0.00 0.00 175.52 176.73 1y30 n ASP 127 N -4.29 2.67 -4.09 4.18 9.92 -0.18 -4.94 116.55 119.82 1y30 n ASP 127 Ca 0.03 -1.94 -0.30 0.00 -0.53 0.00 0.00 54.79 52.04 1y30 n ASP 127 Cb 0.22 -0.28 -0.04 0.00 -0.64 0.00 0.00 41.12 40.38 1y30 n ASP 127 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1y30 n ARG 128 N 0.96 -1.89 -2.22 -1.24 5.12 -0.80 -4.29 116.66 112.30 1y30 n ARG 128 Ca 0.17 0.25 -0.40 0.00 -1.93 0.00 0.00 57.85 55.95 1y30 n ARG 128 Cb 0.45 -3.91 -0.02 0.00 -1.16 0.00 0.00 32.46 27.82 1y30 n ARG 128 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1y30 s ARG 129 N -6.94 4.25 0.03 5.56 1.81 -0.05 -1.89 118.95 121.72 1y30 s ARG 129 Ca 0.09 2.02 0.06 0.00 -1.72 0.00 0.00 55.73 56.18 1y30 s ARG 129 Cb -0.04 -2.92 -0.02 0.00 -0.45 0.00 0.00 34.95 31.52 1y30 s ARG 129 CO 0.94 -0.21 -0.17 0.08 -0.68 0.00 0.00 175.30 175.26 1y30 s VAL 130 N -1.25 1.36 -0.26 3.52 1.01 0.11 -1.35 120.40 123.54 1y30 s VAL 130 Ca 0.52 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1y30 s VAL 130 Cb -0.35 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1y30 s VAL 130 CO 0.46 0.16 0.18 -0.22 0.00 0.00 0.00 175.10 175.67 1y30 s LEU 131 N -0.99 4.06 -0.33 3.92 0.20 -1.26 -0.83 118.68 123.45 1y30 s LEU 131 Ca 0.05 0.04 -0.16 0.00 0.69 0.00 0.00 54.13 54.74 1y30 s LEU 131 Cb -0.08 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.55 1y30 s LEU 131 CO 0.01 -0.01 0.42 -0.22 -0.29 0.00 0.00 176.35 176.26 1y30 s LEU 132 N 1.49 4.31 -0.29 -0.68 2.96 0.22 -2.99 118.68 123.70 1y30 s LEU 132 Ca 0.07 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1y30 s LEU 132 Cb -0.15 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.11 1y30 s LEU 132 CO 0.09 -0.35 0.06 -0.89 -1.32 0.00 0.00 176.35 173.93 1y30 s THR 133 N 2.16 3.74 -0.40 3.68 2.01 -0.39 -0.98 115.64 125.46 1y30 s THR 133 Ca 0.15 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1y30 s THR 133 Cb -0.16 -2.94 0.11 0.00 0.01 0.00 0.00 72.50 69.51 1y30 s THR 133 CO 0.12 0.08 0.18 -0.22 -0.69 0.00 0.00 174.62 174.08 1y30 s LEU 134 N 1.46 5.14 0.26 4.42 2.96 -0.41 -0.53 118.68 131.97 1y30 s LEU 134 Ca 0.02 -1.98 -0.30 0.00 -0.22 0.00 0.00 54.13 51.65 1y30 s LEU 134 Cb -0.17 -1.81 -0.09 0.00 0.50 0.00 0.00 46.19 44.61 1y30 s LEU 134 CO 0.01 -0.51 1.28 -2.16 -1.32 0.00 0.00 176.35 173.65 1y30 s PRO 135 N 1.14 4.41 -0.33 0.98 0.04 -1.26 -2.21 135.00 137.76 1y30 s PRO 135 Ca 0.08 2.08 -0.27 0.00 0.04 0.00 0.00 61.00 62.93 1y30 s PRO 135 Cb -0.22 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1y30 s PRO 135 CO -0.04 -0.17 0.96 0.42 0.04 0.00 0.00 177.00 178.21 1y30 s ILE 136 N -0.50 4.61 -0.18 0.56 1.01 -0.77 -4.17 121.20 121.76 1y30 s ILE 136 Ca 0.52 1.44 0.16 0.00 0.00 0.00 0.00 60.65 62.77 1y30 s ILE 136 Cb -0.37 -4.32 -0.24 0.00 0.01 0.00 0.00 42.46 37.54 1y30 s ILE 136 CO 0.44 -0.43 0.15 -1.20 0.00 0.00 0.00 174.94 173.90 1y30 n SER 137 N 6.66 0.29 -3.68 3.58 7.64 -0.49 -5.00 113.62 122.61 1y30 n SER 137 Ca 0.08 0.06 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1y30 n SER 137 Cb 0.48 0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 64.31 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 -2.51 -0.52 -0.04 1.43 5.65 -1.02 -5.03 115.29 113.26 1y30 s HIS 138 Ca -0.11 1.19 0.03 0.00 0.25 0.00 0.00 55.06 56.42 1y30 s HIS 138 Cb 0.07 0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.67 1y30 s HIS 138 CO 0.81 -0.33 -0.13 0.14 -0.65 0.00 0.00 174.74 174.59 1y30 s VAL 139 N -0.15 1.08 0.12 0.89 -7.23 -1.26 -1.06 120.40 112.80 1y30 s VAL 139 Ca -0.03 -0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1y30 s VAL 139 Cb -0.03 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1y30 s VAL 139 CO 0.02 0.33 0.03 -0.72 -0.31 0.00 0.00 175.10 174.45 1y30 s TYR 140 N 0.22 0.83 -5.00 2.82 1.13 -0.91 -4.96 117.35 111.48 1y30 s TYR 140 Ca -0.05 -1.18 0.00 0.00 -1.41 0.00 0.00 57.07 54.43 1y30 s TYR 140 Cb -0.11 -0.49 0.00 0.00 -1.10 0.00 0.00 41.96 40.27 1y30 s TYR 140 CO 0.02 -0.46 0.00 0.41 -2.51 0.00 0.00 175.55 173.01 1y30 n GLY 141 N -0.07 0.02 2.66 5.49 0.00 -1.26 0.12 105.19 112.15 1y30 n GLY 141 Ca -0.07 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.10 1y30 n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y30 s LEU 142 N 0.00 2.75 0.88 0.99 1.43 -0.73 -5.00 118.68 119.01 1y30 s LEU 142 Ca 0.00 -3.00 -0.11 0.00 -1.03 0.00 0.00 54.13 49.99 1y30 s LEU 142 Cb 0.00 -0.98 0.12 0.00 0.03 0.00 0.00 46.19 45.35 1y30 s LEU 142 CO 0.00 -0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.31 1y30 s PRO 143 N -0.10 1.42 0.16 1.29 0.04 -1.22 -1.97 135.00 134.62 1y30 s PRO 143 Ca 0.23 0.91 -0.32 0.00 0.04 0.00 0.00 61.00 61.86 1y30 s PRO 143 Cb -0.12 -1.82 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 1y30 s PRO 143 CO -0.09 -2.15 0.95 -0.35 0.04 0.00 0.00 177.00 175.40 1y30 n PRO 144 N -3.83 0.64 0.00 0.56 -0.04 -1.26 -1.48 135.00 129.59 1y30 n PRO 144 Ca 0.07 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 1y30 n PRO 144 Cb 0.55 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1y30 n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y30 n GLY 145 N 1.82 2.87 0.25 0.55 0.00 -1.26 -4.85 105.19 104.57 1y30 n GLY 145 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1y30 n GLY 145 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y30 n MET 146 N -1.75 1.97 0.00 1.61 0.00 -0.55 -5.24 117.12 113.16 1y30 n MET 146 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 57.70 57.12 1y30 n MET 146 Cb 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 33.22 32.04 1y30 n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51