#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryb s THR 2 N 0.00 4.13 0.85 -3.48 2.01 -1.26 -4.80 115.64 113.09 1ryb s THR 2 Ca 0.00 1.51 -0.12 0.00 0.31 0.00 0.00 61.69 63.39 1ryb s THR 2 Cb 0.00 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.64 1ryb s THR 2 CO 0.00 0.06 1.11 -2.16 -0.69 0.00 0.00 174.62 172.94 1ryb s PRO 3 N 1.61 1.66 0.15 4.92 0.04 -1.26 -4.71 135.00 137.40 1ryb s PRO 3 Ca 0.58 0.56 0.09 0.00 0.04 0.00 0.00 61.00 62.27 1ryb s PRO 3 Cb -0.27 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1ryb s PRO 3 CO 0.26 -1.90 -0.15 -1.58 0.04 0.00 0.00 177.00 173.67 1ryb s TRP 4 N -3.15 2.56 -0.21 0.56 0.52 -0.63 -4.59 118.94 114.00 1ryb s TRP 4 Ca 0.62 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 56.51 1ryb s TRP 4 Cb -0.15 -1.30 0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1ryb s TRP 4 CO 0.54 0.45 -0.14 -1.17 0.02 0.00 0.00 176.95 176.65 1ryb s LEU 5 N -2.48 2.56 -0.36 2.99 0.20 -0.03 -0.20 118.68 121.34 1ryb s LEU 5 Ca 0.21 -0.94 -0.09 0.00 0.69 0.00 0.00 54.13 54.01 1ryb s LEU 5 Cb -0.10 -1.42 0.04 0.00 -0.43 0.00 0.00 46.19 44.28 1ryb s LEU 5 CO 0.12 -0.10 0.17 -0.63 -0.29 0.00 0.00 176.35 175.62 1ryb s ILE 6 N 1.27 4.15 -0.11 6.68 1.01 0.35 -0.47 121.20 134.08 1ryb s ILE 6 Ca -0.01 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1ryb s ILE 6 Cb -0.16 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1ryb s ILE 6 CO -0.09 -0.25 -0.19 0.00 0.00 0.00 0.00 174.94 174.41 1ryb s ALA 7 N 1.46 2.37 -0.15 9.38 0.00 0.79 -0.31 121.76 135.31 1ryb s ALA 7 Ca 0.00 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 1ryb s ALA 7 Cb -0.20 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1ryb s ALA 7 CO 0.04 0.27 -0.04 0.20 0.00 0.00 0.00 175.76 176.23 1ryb s GLY 8 N 0.35 1.72 0.35 0.00 0.00 -0.68 -0.71 107.32 108.36 1ryb s GLY 8 Ca -0.15 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.59 1ryb s GLY 8 CO 0.07 -0.11 0.79 1.08 0.00 0.00 0.00 173.10 174.93 1ryb s LEU 9 N 0.27 4.02 0.00 0.66 1.43 -0.60 -4.19 118.68 120.27 1ryb s LEU 9 Ca -0.03 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1ryb s LEU 9 Cb -0.14 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1ryb s LEU 9 CO 0.03 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1ryb n GLY 10 N -0.49 -1.58 3.68 -3.19 0.00 -1.26 -2.92 105.19 99.43 1ryb n GLY 10 Ca 0.04 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.71 1ryb n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ryb s ASN 11 N -0.84 4.93 0.18 1.61 0.01 -1.26 -3.36 114.94 116.21 1ryb s ASN 11 Ca 0.00 -0.28 -0.15 0.00 -0.71 0.00 0.00 52.86 51.72 1ryb s ASN 11 Cb 0.00 -1.12 -0.07 0.00 0.41 0.00 0.00 41.25 40.46 1ryb s ASN 11 CO 0.00 0.13 0.60 -2.16 -1.51 0.00 0.00 177.10 174.15 1ryb s PRO 12 N -2.66 4.03 0.00 -0.60 0.04 -1.26 -4.79 135.00 129.75 1ryb s PRO 12 Ca 0.27 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1ryb s PRO 12 Cb -0.10 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1ryb s PRO 12 CO 0.19 0.43 0.00 0.41 0.04 0.00 0.00 177.00 178.07 1ryb n GLY 13 N 0.67 2.81 0.37 0.56 0.00 -1.26 -4.74 105.19 103.60 1ryb n GLY 13 Ca -0.04 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.11 1ryb n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ryb h ASN 14 N 0.00 0.91 -0.27 1.61 2.35 -1.98 -2.22 115.58 115.97 1ryb h ASN 14 Ca 0.00 0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.85 1ryb h ASN 14 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1ryb h ASN 14 CO 0.00 0.55 0.30 0.07 -1.65 0.00 0.00 177.43 176.70 1ryb h LYS 15 N 1.01 0.00 -0.01 0.81 2.10 -1.97 -2.50 116.57 116.01 1ryb h LYS 15 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 1ryb h LYS 15 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1ryb h LYS 15 CO -0.19 0.00 -0.71 0.66 -2.00 0.00 0.00 179.45 177.21 1ryb n TYR 16 N -3.75 0.00 -1.73 0.07 4.01 -0.84 -4.91 117.16 110.02 1ryb n TYR 16 Ca 0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 1ryb n TYR 16 Cb 0.45 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 1ryb n TYR 16 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ryb s TYR 17 N -2.59 2.90 0.00 -0.72 5.04 -0.95 -1.33 117.35 119.71 1ryb s TYR 17 Ca 0.11 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1ryb s TYR 17 Cb 0.15 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1ryb s TYR 17 CO 0.67 -4.32 0.00 0.41 -1.34 0.00 0.00 175.55 170.97 1ryb n GLY 18 N 3.95 1.78 3.81 8.97 0.00 -1.26 -4.98 105.19 117.46 1ryb n GLY 18 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1ryb n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ryb s THR 19 N -3.23 3.91 0.21 2.61 -4.23 -0.44 -3.82 115.64 110.65 1ryb s THR 19 Ca 0.00 1.02 -0.10 0.00 -1.18 0.00 0.00 61.69 61.43 1ryb s THR 19 Cb 0.00 -3.46 0.13 0.00 1.34 0.00 0.00 72.50 70.52 1ryb s THR 19 CO 0.00 -0.42 1.80 0.03 -0.54 0.00 0.00 174.62 175.48 1ryb h ARG 20 N 0.96 0.60 0.00 3.99 3.08 -0.96 -0.85 114.38 121.21 1ryb h ARG 20 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1ryb h ARG 20 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1ryb h ARG 20 CO 0.59 0.40 0.00 1.58 -1.07 0.00 0.00 179.97 181.47 1ryb n HIS 21 N -4.83 0.00 0.13 3.04 -0.00 -0.37 -1.96 115.22 111.24 1ryb n HIS 21 Ca 0.08 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.37 1ryb n HIS 21 Cb 0.18 -0.43 0.23 0.00 -0.12 0.00 0.00 29.99 29.86 1ryb n HIS 21 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1ryb n ASN 22 N -1.43 3.52 0.27 0.26 4.13 -0.33 -4.12 115.26 117.57 1ryb n ASN 22 Ca 0.03 -1.98 0.10 0.00 1.68 0.00 0.00 54.58 54.41 1ryb n ASN 22 Cb 0.09 -0.30 0.71 0.00 -1.54 0.00 0.00 39.78 38.74 1ryb n ASN 22 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1ryb h VAL 23 N 4.26 0.88 -0.72 2.41 3.04 -1.41 -0.06 116.25 124.66 1ryb h VAL 23 Ca 0.00 -0.03 0.02 0.00 -1.01 0.00 0.00 66.70 65.68 1ryb h VAL 23 Cb 0.96 1.01 -0.04 0.00 -2.01 0.00 0.00 31.29 31.22 1ryb h VAL 23 CO 0.00 0.01 0.47 1.23 -1.01 0.00 0.00 177.57 178.27 1ryb h GLY 24 N 0.03 1.00 1.00 3.17 0.00 -1.77 -1.69 103.07 104.80 1ryb h GLY 24 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ryb h GLY 24 CO 0.00 0.34 0.39 0.74 0.00 0.00 0.00 176.54 178.01 1ryb h PHE 25 N 0.92 0.80 -0.67 5.60 -1.00 -0.88 -1.93 116.94 119.78 1ryb h PHE 25 Ca 0.27 0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.09 1ryb h PHE 25 Cb -0.03 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.22 1ryb h PHE 25 CO -0.00 0.53 0.42 0.93 -1.61 0.00 0.00 178.31 178.58 1ryb h GLU 26 N 0.84 0.80 -0.01 1.51 5.08 -1.09 0.72 114.58 122.44 1ryb h GLU 26 Ca 0.22 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ryb h GLU 26 Cb -0.05 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1ryb h GLU 26 CO -0.04 0.53 0.00 1.98 -1.00 0.00 0.00 179.01 180.48 1ryb h MET 27 N 0.82 0.01 -0.46 2.33 4.05 -1.13 -1.56 114.93 118.99 1ryb h MET 27 Ca 0.27 -0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1ryb h MET 27 Cb 0.01 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1ryb h MET 27 CO -0.10 0.16 0.20 -0.39 0.23 0.00 0.00 176.91 177.00 1ryb h VAL 28 N -0.14 1.17 -0.83 -5.77 -1.51 -1.16 0.67 116.25 108.68 1ryb h VAL 28 Ca 0.00 -0.50 -0.01 0.00 -1.23 0.00 0.00 66.70 64.97 1ryb h VAL 28 Cb 0.15 0.60 -0.04 0.00 -2.13 0.00 0.00 31.29 29.87 1ryb h VAL 28 CO -0.00 0.20 0.48 0.44 -1.23 0.00 0.00 177.57 177.46 1ryb h ASP 29 N 0.65 1.00 -0.20 4.19 3.32 -0.61 0.10 116.42 124.89 1ryb h ASP 29 Ca 0.16 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.95 1ryb h ASP 29 Cb 0.10 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1ryb h ASP 29 CO -0.02 0.78 -0.60 -0.09 -1.72 0.00 0.00 179.24 177.60 1ryb h ARG 30 N 1.15 0.80 -0.39 3.56 9.65 -0.62 -1.30 114.38 127.22 1ryb h ARG 30 Ca 0.30 -0.54 -0.04 0.00 -1.10 0.00 0.00 59.98 58.60 1ryb h ARG 30 Cb -0.02 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1ryb h ARG 30 CO -0.05 1.17 0.08 0.82 2.80 0.00 0.00 179.97 184.79 1ryb h ILE 31 N 0.60 1.23 -0.57 1.20 2.04 -0.42 -1.27 117.51 120.33 1ryb h ILE 31 Ca -0.00 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1ryb h ILE 31 Cb 1.20 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1ryb h ILE 31 CO 0.13 0.28 0.37 0.00 0.00 0.00 0.00 178.15 178.92 1ryb h ALA 32 N 0.94 0.72 0.00 1.87 0.00 -0.73 0.13 119.26 122.20 1ryb h ALA 32 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ryb h ALA 32 Cb 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ryb h ALA 32 CO 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.36 1ryb h ALA 33 N 1.22 -0.02 -0.03 0.00 0.00 -1.04 0.27 119.26 119.66 1ryb h ALA 33 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ryb h ALA 33 Cb -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ryb h ALA 33 CO -0.06 -0.52 -0.01 1.49 0.00 0.00 0.00 179.25 180.15 1ryb h GLU 34 N -0.04 0.04 -0.64 0.00 4.57 -0.40 -2.77 114.58 115.35 1ryb h GLU 34 Ca 0.01 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1ryb h GLU 34 Cb 0.05 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ryb h GLU 34 CO -0.02 0.06 0.00 0.39 -1.18 0.00 0.00 179.01 178.26 1ryb n GLU 35 N -4.50 3.10 -3.12 1.92 -0.58 -0.05 -4.94 120.64 112.48 1ryb n GLU 35 Ca -0.02 -2.67 -0.14 0.00 -0.42 0.00 0.00 57.16 53.91 1ryb n GLU 35 Cb 0.12 -1.65 0.06 0.00 -0.57 0.00 0.00 31.44 29.40 1ryb n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ryb n GLY 36 N 1.25 -0.06 3.43 0.62 0.00 -0.85 -4.75 105.19 104.84 1ryb n GLY 36 Ca 0.23 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1ryb n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ryb s ILE 37 N -3.22 3.29 -0.23 -0.61 1.01 0.03 -5.02 121.20 116.44 1ryb s ILE 37 Ca 0.24 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1ryb s ILE 37 Cb -0.11 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1ryb s ILE 37 CO 0.48 0.54 0.12 0.42 0.00 0.00 0.00 174.94 176.50 1ryb s THR 38 N 0.07 5.03 -1.37 2.92 -4.23 -1.26 -4.41 115.64 112.39 1ryb s THR 38 Ca -0.04 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.45 1ryb s THR 38 Cb -0.14 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.46 1ryb s THR 38 CO 0.04 0.36 2.25 0.23 -0.54 0.00 0.00 174.62 176.97 1ryb n MET 39 N 4.28 3.89 -0.40 3.99 2.81 -1.26 -4.22 117.12 126.20 1ryb n MET 39 Ca -0.15 -3.20 0.07 0.00 -1.81 0.00 0.00 57.70 52.60 1ryb n MET 39 Cb 0.52 -2.85 0.19 0.00 -0.71 0.00 0.00 33.22 30.37 1ryb n MET 39 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1ryb n ASN 40 N 3.34 2.30 -4.67 7.83 6.94 -1.09 -4.37 115.26 125.53 1ryb n ASN 40 Ca 0.55 -3.47 -0.35 0.00 -0.02 0.00 0.00 54.58 51.29 1ryb n ASN 40 Cb 0.31 -0.51 -0.09 0.00 -2.36 0.00 0.00 39.78 37.13 1ryb n ASN 40 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1ryb s THR 41 N -3.05 4.93 -0.28 5.53 2.01 0.25 -4.93 115.64 120.09 1ryb s THR 41 Ca 0.37 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 1ryb s THR 41 Cb 0.34 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 1ryb s THR 41 CO -0.00 0.48 0.19 -0.63 -0.69 0.00 0.00 174.62 173.96 1ryb s ILE 42 N 0.19 5.23 -0.22 1.82 1.01 -1.26 -0.24 121.20 127.73 1ryb s ILE 42 Ca 0.05 0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.54 1ryb s ILE 42 Cb -0.12 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 38.94 1ryb s ILE 42 CO 0.00 0.23 0.87 -1.58 0.00 0.00 0.00 174.94 174.47 1ryb s GLN 43 N 1.74 0.71 -1.38 2.79 0.74 -0.88 -4.98 119.66 118.40 1ryb s GLN 43 Ca 0.07 0.60 -0.05 0.00 0.05 0.00 0.00 55.36 56.02 1ryb s GLN 43 Cb -0.16 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.29 1ryb s GLN 43 CO 0.10 -0.13 0.41 0.43 -0.55 0.00 0.00 175.29 175.55 1ryb n SER 44 N 1.93 -1.02 -2.22 6.67 7.64 -1.26 -0.95 113.62 124.41 1ryb n SER 44 Ca -0.14 -1.08 -0.21 0.00 1.01 0.00 0.00 58.87 58.46 1ryb n SER 44 Cb 0.56 -2.73 -0.03 0.00 -1.01 0.00 0.00 64.21 61.01 1ryb n SER 44 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ryb n LYS 45 N -4.46 -1.65 -4.21 1.43 5.02 -1.26 -4.35 118.16 108.67 1ryb n LYS 45 Ca -0.27 1.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 1ryb n LYS 45 Cb 0.67 -5.65 -0.10 0.00 -0.02 0.00 0.00 35.03 29.93 1ryb n LYS 45 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ryb s SER 46 N -2.20 0.47 -0.15 4.39 0.01 -0.12 -0.01 113.70 116.09 1ryb s SER 46 Ca 0.00 -1.33 -0.06 0.00 1.31 0.00 0.00 55.95 55.87 1ryb s SER 46 Cb 0.00 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.49 1ryb s SER 46 CO 0.00 -0.77 0.06 -0.76 0.41 0.00 0.00 173.24 172.18 1ryb s LEU 47 N -3.17 3.88 0.22 2.44 1.43 -0.37 -2.08 118.68 121.03 1ryb s LEU 47 Ca 0.34 0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.53 1ryb s LEU 47 Cb 0.07 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1ryb s LEU 47 CO 0.09 0.27 0.36 -1.48 0.23 0.00 0.00 176.35 175.82 1ryb s LEU 48 N -0.19 0.63 0.02 1.79 0.05 0.67 -1.01 118.68 120.64 1ryb s LEU 48 Ca 0.08 -1.04 -0.01 0.00 0.05 0.00 0.00 54.13 53.21 1ryb s LEU 48 Cb -0.12 1.32 -0.02 0.00 -2.05 0.00 0.00 46.19 45.32 1ryb s LEU 48 CO 0.01 -1.02 -0.01 -0.83 -0.55 0.00 0.00 176.35 173.95 1ryb s GLY 49 N -3.05 0.22 -0.09 -3.48 0.00 -0.47 -0.59 107.32 99.87 1ryb s GLY 49 Ca 0.26 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.48 1ryb s GLY 49 CO 0.08 -0.61 -0.20 -0.42 0.00 0.00 0.00 173.10 171.95 1ryb s ILE 50 N -1.45 2.44 0.00 0.90 1.01 -1.26 -0.75 121.20 122.09 1ryb s ILE 50 Ca -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1ryb s ILE 50 Cb -0.10 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1ryb s ILE 50 CO -0.01 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1ryb n GLY 51 N 3.15 2.63 3.21 6.18 0.00 -0.58 -4.81 105.19 114.97 1ryb n GLY 51 Ca -0.18 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1ryb n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ryb s SER 52 N 2.00 0.09 -0.26 1.61 1.04 -1.26 -0.90 113.70 116.02 1ryb s SER 52 Ca 0.00 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1ryb s SER 52 Cb 0.00 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1ryb s SER 52 CO 0.00 -0.74 -0.10 -0.63 0.98 0.00 0.00 173.24 172.75 1ryb s ILE 53 N -3.84 2.27 0.00 -1.02 1.01 0.40 -4.89 121.20 115.13 1ryb s ILE 53 Ca 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.14 1ryb s ILE 53 Cb 0.05 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1ryb s ILE 53 CO -0.11 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1ryb n GLY 54 N 4.47 2.78 0.59 6.18 0.00 -1.26 -0.29 105.19 117.66 1ryb n GLY 54 Ca -0.14 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1ryb n GLY 54 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ryb n GLU 55 N 13.71 1.79 -3.40 1.61 1.02 -1.26 -4.87 120.64 129.23 1ryb n GLU 55 Ca 0.00 -1.18 -0.38 0.00 -0.02 0.00 0.00 57.16 55.58 1ryb n GLU 55 Cb 0.00 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1ryb n GLU 55 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ryb s VAL 56 N -1.80 5.21 0.26 2.62 1.01 0.60 -4.98 120.40 123.32 1ryb s VAL 56 Ca 0.33 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.71 1ryb s VAL 56 Cb 0.18 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.75 1ryb s VAL 56 CO 0.27 0.26 1.17 -2.84 0.00 0.00 0.00 175.10 173.97 1ryb s PRO 57 N 1.25 4.54 0.07 2.72 0.02 -1.26 -0.46 135.00 141.88 1ryb s PRO 57 Ca 0.19 1.92 -0.02 0.00 0.02 0.00 0.00 61.00 63.10 1ryb s PRO 57 Cb -0.15 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 1ryb s PRO 57 CO 0.08 0.04 0.01 0.14 -0.33 0.00 0.00 177.00 176.94 1ryb s VAL 58 N -0.84 0.19 -0.02 3.83 -7.23 -0.08 -1.61 120.40 114.64 1ryb s VAL 58 Ca 0.48 -1.75 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 1ryb s VAL 58 Cb -0.34 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 1ryb s VAL 58 CO 0.42 -0.86 -0.26 -1.48 -0.31 0.00 0.00 175.10 172.62 1ryb s LEU 59 N -2.94 2.06 -0.16 1.32 2.34 0.71 -1.52 118.68 120.49 1ryb s LEU 59 Ca 0.10 -0.47 -0.03 0.00 0.06 0.00 0.00 54.13 53.79 1ryb s LEU 59 Cb 0.07 -1.35 -0.02 0.00 -0.56 0.00 0.00 46.19 44.34 1ryb s LEU 59 CO -0.08 0.31 -0.05 -0.69 -1.06 0.00 0.00 176.35 174.78 1ryb s VAL 60 N -0.56 3.68 -0.01 1.48 1.01 0.07 -0.49 120.40 125.58 1ryb s VAL 60 Ca 0.08 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1ryb s VAL 60 Cb -0.10 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1ryb s VAL 60 CO -0.00 0.48 -0.08 -0.69 0.00 0.00 0.00 175.10 174.81 1ryb s VAL 61 N 0.55 0.59 -0.31 2.92 1.01 0.57 -1.37 120.40 124.36 1ryb s VAL 61 Ca -0.04 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ryb s VAL 61 Cb -0.15 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 35.83 1ryb s VAL 61 CO 0.03 0.17 0.06 -0.54 0.00 0.00 0.00 175.10 174.81 1ryb s LYS 62 N -0.18 1.17 0.34 2.72 1.02 -0.18 -1.69 119.74 122.94 1ryb s LYS 62 Ca 0.03 -1.42 -0.29 0.00 0.02 0.00 0.00 55.97 54.32 1ryb s LYS 62 Cb -0.03 -2.60 -0.11 0.00 -0.52 0.00 0.00 37.83 34.57 1ryb s LYS 62 CO -0.00 -0.92 1.41 -2.14 -0.92 0.00 0.00 175.35 172.78 1ryb s PRO 63 N 1.27 4.23 -0.44 -1.68 0.02 -1.26 -1.23 135.00 135.90 1ryb s PRO 63 Ca 0.08 2.40 0.04 0.00 0.02 0.00 0.00 61.00 63.54 1ryb s PRO 63 Cb -0.18 -3.03 0.45 0.00 0.02 0.00 0.00 34.50 31.76 1ryb s PRO 63 CO -0.15 -0.38 1.48 1.04 -0.33 0.00 0.00 177.00 178.65 1ryb n GLN 64 N 0.84 3.28 0.00 5.54 1.13 0.99 -4.68 117.38 124.48 1ryb n GLN 64 Ca 0.01 -3.90 0.09 0.00 -1.94 0.00 0.00 57.00 51.26 1ryb n GLN 64 Cb 0.40 -2.28 -0.02 0.00 0.11 0.00 0.00 30.24 28.46 1ryb n GLN 64 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ryb n SER 65 N -0.75 1.60 0.00 1.08 3.41 -1.23 -4.86 113.62 112.87 1ryb n SER 65 Ca 0.50 -1.30 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1ryb n SER 65 Cb 0.82 0.55 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1ryb n SER 65 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ryb n TYR 66 N -0.28 0.00 -0.32 7.33 4.02 -1.26 -4.38 117.16 122.26 1ryb n TYR 66 Ca 0.07 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.09 1ryb n TYR 66 Cb 0.36 -0.44 0.32 0.00 -0.02 0.00 0.00 39.34 39.56 1ryb n TYR 66 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1ryb h MET 67 N 0.00 0.54 0.00 -0.72 1.85 -1.93 -0.43 114.93 114.24 1ryb h MET 67 Ca 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 1ryb h MET 67 Cb 0.00 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 31.91 1ryb h MET 67 CO 0.00 0.36 0.00 -0.91 -0.40 0.00 0.00 176.91 175.96 1ryb h ASN 68 N 0.56 0.00 -0.19 1.39 2.35 -1.87 -2.68 115.58 115.14 1ryb h ASN 68 Ca 0.57 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.26 1ryb h ASN 68 Cb 1.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 1ryb h ASN 68 CO -0.46 0.00 -0.10 -1.22 -1.65 0.00 0.00 177.43 174.00 1ryb n TYR 69 N -2.85 0.64 -0.28 1.19 4.01 -0.18 -4.72 117.16 114.97 1ryb n TYR 69 Ca 0.01 -1.24 0.11 0.00 -0.16 0.00 0.00 57.90 56.62 1ryb n TYR 69 Cb 0.28 -0.33 0.35 0.00 -0.31 0.00 0.00 39.34 39.33 1ryb n TYR 69 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1ryb h SER 70 N 1.00 0.70 0.28 7.72 0.02 -1.43 -0.75 113.55 121.10 1ryb h SER 70 Ca 0.07 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1ryb h SER 70 Cb 1.35 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1ryb h SER 70 CO 0.19 0.37 -0.37 1.23 -1.14 0.00 0.00 176.83 177.11 1ryb h GLY 71 N 0.75 0.15 1.54 -3.77 0.00 -1.82 -1.34 103.07 98.57 1ryb h GLY 71 Ca 0.45 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.69 1ryb h GLY 71 CO -0.21 0.12 0.23 0.83 0.00 0.00 0.00 176.54 177.51 1ryb h GLU 72 N 0.12 0.29 0.05 4.80 5.08 -1.40 0.32 114.58 123.84 1ryb h GLU 72 Ca 0.01 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1ryb h GLU 72 Cb 0.72 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1ryb h GLU 72 CO 0.05 0.19 -0.81 0.00 -1.00 0.00 0.00 179.01 177.45 1ryb h ALA 73 N 1.81 0.10 -0.26 3.43 0.00 -1.36 -3.40 119.26 119.58 1ryb h ALA 73 Ca 0.14 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 54.03 1ryb h ALA 73 Cb 0.19 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ryb h ALA 73 CO -0.03 0.45 -0.46 0.82 0.00 0.00 0.00 179.25 180.03 1ryb h ILE 74 N -0.72 1.30 -0.01 0.00 2.04 -1.02 -3.09 117.51 116.01 1ryb h ILE 74 Ca -0.19 -1.66 0.03 0.00 1.00 0.00 0.00 64.86 64.05 1ryb h ILE 74 Cb 1.38 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 39.11 1ryb h ILE 74 CO -0.01 0.53 -0.26 1.23 0.00 0.00 0.00 178.15 179.64 1ryb h GLY 75 N 0.51 -0.39 1.56 5.37 0.00 -1.18 -1.45 103.07 107.50 1ryb h GLY 75 Ca 0.02 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1ryb h GLY 75 CO 0.10 -0.21 0.24 -2.55 0.00 0.00 0.00 176.54 174.13 1ryb h PRO 76 N -0.39 0.58 -0.40 4.80 0.11 -1.78 -2.31 132.00 132.61 1ryb h PRO 76 Ca 0.07 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 1ryb h PRO 76 Cb 0.48 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1ryb h PRO 76 CO -0.23 0.42 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.90 1ryb h LEU 77 N 0.59 0.70 -1.49 2.35 3.38 -1.35 -0.59 115.31 118.90 1ryb h LEU 77 Ca 0.15 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ryb h LEU 77 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1ryb h LEU 77 CO -0.03 0.84 0.27 0.00 0.09 0.00 0.00 178.44 179.61 1ryb h ALA 78 N 0.88 1.62 -0.04 1.53 0.00 -0.86 -0.73 119.26 121.66 1ryb h ALA 78 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ryb h ALA 78 Cb 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ryb h ALA 78 CO 0.02 0.34 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 1ryb h ALA 79 N 1.67 0.06 -0.28 0.00 0.00 -1.26 0.10 119.26 119.55 1ryb h ALA 79 Ca 0.17 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ryb h ALA 79 Cb -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1ryb h ALA 79 CO -0.03 -0.12 -0.01 -0.92 0.00 0.00 0.00 179.25 178.17 1ryb h TYR 80 N -0.39 -0.03 -0.23 0.00 3.20 -0.84 -2.27 116.97 116.42 1ryb h TYR 80 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1ryb h TYR 80 Cb 0.60 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1ryb h TYR 80 CO 0.11 -0.05 0.00 0.66 -1.64 0.00 0.00 178.16 177.24 1ryb n TYR 81 N -5.17 0.29 -3.64 -3.82 4.02 -0.30 -4.95 117.16 103.59 1ryb n TYR 81 Ca -0.00 -0.15 -0.23 0.00 -0.01 0.00 0.00 57.90 57.51 1ryb n TYR 81 Cb 0.15 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.53 1ryb n TYR 81 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ryb n GLN 82 N 0.56 -6.63 -3.16 -0.72 6.02 -0.39 -4.87 117.38 108.20 1ryb n GLN 82 Ca 0.16 0.75 -0.40 0.00 -0.01 0.00 0.00 57.00 57.50 1ryb n GLN 82 Cb 0.38 -5.68 -0.06 0.00 1.02 0.00 0.00 30.24 25.89 1ryb n GLN 82 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ryb s VAL 83 N -3.38 5.04 0.64 5.09 1.01 0.21 -4.73 120.40 124.27 1ryb s VAL 83 Ca 0.37 1.07 -0.16 0.00 0.00 0.00 0.00 61.98 63.26 1ryb s VAL 83 Cb -0.17 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1ryb s VAL 83 CO 0.77 0.10 1.13 -2.16 0.00 0.00 0.00 175.10 174.93 1ryb s PRO 84 N 2.08 2.87 0.27 2.72 0.04 -1.26 -4.77 135.00 136.95 1ryb s PRO 84 Ca 0.26 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 1ryb s PRO 84 Cb -0.16 -1.95 0.42 0.00 0.04 0.00 0.00 34.50 32.85 1ryb s PRO 84 CO 0.09 -1.21 1.57 1.25 0.04 0.00 0.00 177.00 178.75 1ryb h LEU 85 N 0.29 -0.85 -0.53 -3.56 5.85 -1.96 0.44 115.31 114.99 1ryb h LEU 85 Ca -0.48 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ryb h LEU 85 Cb 1.26 0.57 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1ryb h LEU 85 CO 0.54 -0.30 0.00 -2.11 -0.34 0.00 0.00 178.44 176.23 1ryb n ARG 86 N -5.58 0.08 -0.22 1.25 1.85 -1.26 -1.69 116.66 111.08 1ryb n ARG 86 Ca 0.14 0.46 0.06 0.00 -1.00 0.00 0.00 57.85 57.52 1ryb n ARG 86 Cb 0.47 -1.70 0.16 0.00 -1.05 0.00 0.00 32.46 30.34 1ryb n ARG 86 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ryb n HIS 87 N -1.86 0.47 -3.26 2.89 8.25 0.15 -4.49 115.22 117.37 1ryb n HIS 87 Ca 0.01 -0.68 -0.45 0.00 -0.26 0.00 0.00 57.72 56.34 1ryb n HIS 87 Cb 0.10 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.01 1ryb n HIS 87 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ryb s ILE 88 N -1.82 5.07 -0.25 1.59 1.01 -0.68 -0.85 121.20 125.26 1ryb s ILE 88 Ca 0.26 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 1ryb s ILE 88 Cb 0.19 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1ryb s ILE 88 CO 0.09 -0.81 0.26 -0.22 0.00 0.00 0.00 174.94 174.26 1ryb s LEU 89 N 2.04 4.07 -0.15 2.97 2.96 0.38 -3.53 118.68 127.42 1ryb s LEU 89 Ca 0.07 0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 1ryb s LEU 89 Cb -0.25 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1ryb s LEU 89 CO 0.07 -0.06 0.10 -0.76 -1.32 0.00 0.00 176.35 174.38 1ryb s LEU 90 N 1.59 4.09 -0.12 -0.68 2.01 -0.40 -0.15 118.68 125.02 1ryb s LEU 90 Ca 0.11 0.26 0.03 0.00 0.01 0.00 0.00 54.13 54.54 1ryb s LEU 90 Cb -0.15 -2.02 0.01 0.00 0.01 0.00 0.00 46.19 44.04 1ryb s LEU 90 CO 0.08 0.28 -0.21 -0.63 1.01 0.00 0.00 176.35 176.89 1ryb s ILE 91 N -0.27 1.95 0.21 -0.59 1.01 0.11 -0.37 121.20 123.25 1ryb s ILE 91 Ca 0.10 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.60 1ryb s ILE 91 Cb -0.12 -1.72 0.04 0.00 0.01 0.00 0.00 42.46 40.68 1ryb s ILE 91 CO 0.01 0.53 0.79 -0.72 0.00 0.00 0.00 174.94 175.55 1ryb s TYR 92 N 0.72 -0.22 0.21 3.97 -0.85 -0.99 -1.56 117.35 118.63 1ryb s TYR 92 Ca -0.10 -0.14 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 1ryb s TYR 92 Cb -0.16 0.66 -0.08 0.00 0.38 0.00 0.00 41.96 42.76 1ryb s TYR 92 CO 0.01 -1.03 1.08 0.16 -1.52 0.00 0.00 175.55 174.25 1ryb s ASP 93 N -2.88 7.31 -0.22 -0.18 -4.77 -1.26 -0.61 116.67 114.07 1ryb s ASP 93 Ca 0.10 2.12 -0.01 0.00 -3.30 0.00 0.00 52.55 51.45 1ryb s ASP 93 Cb -0.04 -2.61 0.06 0.00 -1.09 0.00 0.00 42.92 39.24 1ryb s ASP 93 CO 0.02 -0.15 -0.01 -0.62 0.70 0.00 0.00 175.17 175.11 1ryb s ASP 94 N -0.43 3.42 0.00 2.11 -1.08 0.42 -4.80 116.67 116.30 1ryb s ASP 94 Ca 0.47 -1.02 0.21 0.00 -0.52 0.00 0.00 52.55 51.69 1ryb s ASP 94 Cb -0.30 -0.91 1.15 0.00 -1.46 0.00 0.00 42.92 41.41 1ryb s ASP 94 CO 0.36 -0.27 1.64 0.35 0.52 0.00 0.00 175.17 177.77 1ryb n THR 95 N 4.85 0.17 1.32 1.71 -2.24 -1.26 -1.48 114.28 117.35 1ryb n THR 95 Ca -0.10 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 1ryb n THR 95 Cb 0.45 -0.71 0.38 0.00 -2.10 0.00 0.00 70.33 68.36 1ryb n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ryb n SER 96 N -1.12 2.00 -4.36 3.42 3.41 -1.26 -3.66 113.62 112.04 1ryb n SER 96 Ca 0.13 -1.67 -0.27 0.00 -0.26 0.00 0.00 58.87 56.81 1ryb n SER 96 Cb 0.11 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1ryb n SER 96 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ryb s LEU 97 N -1.98 2.34 0.72 1.04 1.43 -1.18 -5.00 118.68 116.06 1ryb s LEU 97 Ca 0.35 -0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1ryb s LEU 97 Cb 0.21 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.38 1ryb s LEU 97 CO 0.32 0.12 1.17 -2.84 0.23 0.00 0.00 176.35 175.35 1ryb s PRO 98 N -2.15 2.25 0.06 1.29 0.02 -1.26 -0.68 135.00 134.53 1ryb s PRO 98 Ca 0.13 1.61 -0.36 0.00 0.02 0.00 0.00 61.00 62.40 1ryb s PRO 98 Cb -0.09 -1.86 -0.15 0.00 0.02 0.00 0.00 34.50 32.41 1ryb s PRO 98 CO 0.06 -1.72 1.48 -1.71 -0.33 0.00 0.00 177.00 174.79 1ryb n ASN 99 N -2.77 2.24 0.00 2.53 5.15 -1.26 -0.97 115.26 120.19 1ryb n ASN 99 Ca 0.12 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 1ryb n ASN 99 Cb 0.51 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 1ryb n ASN 99 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ryb n GLY 100 N 3.07 2.06 3.73 8.20 0.00 0.31 -4.88 105.19 117.68 1ryb n GLY 100 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1ryb n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ryb s VAL 101 N -2.65 4.69 0.15 1.61 1.01 -0.14 -4.63 120.40 120.44 1ryb s VAL 101 Ca 0.00 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.86 1ryb s VAL 101 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1ryb s VAL 101 CO 0.00 0.30 0.29 -0.76 0.00 0.00 0.00 175.10 174.93 1ryb s LEU 102 N 0.23 4.33 -0.07 3.92 1.43 -1.26 0.00 118.68 127.26 1ryb s LEU 102 Ca 0.44 0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1ryb s LEU 102 Cb -0.21 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.07 1ryb s LEU 102 CO 0.26 0.05 0.25 -0.60 0.23 0.00 0.00 176.35 176.55 1ryb s ARG 103 N -3.15 0.39 -0.12 1.70 3.52 -0.60 -4.83 118.95 115.86 1ryb s ARG 103 Ca 0.35 0.15 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1ryb s ARG 103 Cb -0.11 0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.45 1ryb s ARG 103 CO 0.28 -0.07 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.37 1ryb s LEU 104 N -0.34 2.55 0.14 -0.88 2.96 -1.26 -0.54 118.68 121.31 1ryb s LEU 104 Ca -0.05 -0.39 0.07 0.00 -0.22 0.00 0.00 54.13 53.54 1ryb s LEU 104 Cb -0.03 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1ryb s LEU 104 CO 0.01 0.16 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.94 1ryb s GLN 105 N 0.38 1.12 0.00 1.98 -0.21 -0.31 -4.58 119.66 118.04 1ryb s GLN 105 Ca -0.13 -1.31 0.18 0.00 0.02 0.00 0.00 55.36 54.13 1ryb s GLN 105 Cb -0.16 -1.06 0.13 0.00 1.00 0.00 0.00 33.01 32.92 1ryb s GLN 105 CO 0.06 0.21 1.06 1.63 -2.12 0.00 0.00 175.29 176.13 1ryb n LYS 106 N 0.43 1.50 -3.91 2.91 4.76 -1.26 -0.75 118.16 121.83 1ryb n LYS 106 Ca -0.14 -1.53 -0.02 0.00 -2.87 0.00 0.00 58.31 53.74 1ryb n LYS 106 Cb 0.57 -1.34 0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1ryb n LYS 106 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1ryb s LYS 107 N -1.53 1.19 0.00 1.97 -2.85 -1.24 -3.16 119.74 114.12 1ryb s LYS 107 Ca 0.21 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 1ryb s LYS 107 Cb 0.15 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1ryb s LYS 107 CO 0.24 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 175.54 1ryb n GLY 108 N -0.75 3.31 0.00 0.59 0.00 -1.20 -4.94 105.19 102.20 1ryb n GLY 108 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1ryb n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ryb n GLY 109 N -1.83 -1.55 0.01 -0.02 0.00 -1.26 -4.81 105.19 95.73 1ryb n GLY 109 Ca 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 46.02 44.55 1ryb n GLY 109 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ryb n HIS 110 N -1.80 0.00 -2.04 1.61 1.44 -1.26 -4.96 115.22 108.21 1ryb n HIS 110 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1ryb n HIS 110 Cb 0.00 -0.15 -0.04 0.00 0.12 0.00 0.00 29.99 29.92 1ryb n HIS 110 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ryb n GLY 111 N 1.50 0.51 2.34 -1.39 0.00 -1.26 -0.63 105.19 106.25 1ryb n GLY 111 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1ryb n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ryb n ARG 112 N -2.68 -0.73 -2.70 1.61 1.74 -1.26 -4.97 116.66 107.66 1ryb n ARG 112 Ca -0.21 0.56 -0.43 0.00 -0.77 0.00 0.00 57.85 57.00 1ryb n ARG 112 Cb 0.66 -4.35 -0.03 0.00 -1.02 0.00 0.00 32.46 27.72 1ryb n ARG 112 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ryb s HIS 113 N -2.01 3.25 0.32 -1.55 2.46 0.19 -4.92 115.29 113.04 1ryb s HIS 113 Ca 0.00 1.26 0.02 0.00 0.47 0.00 0.00 55.06 56.81 1ryb s HIS 113 Cb 0.00 -3.41 0.58 0.00 -0.13 0.00 0.00 32.58 29.63 1ryb s HIS 113 CO 0.00 -0.59 1.93 -0.91 -2.47 0.00 0.00 174.74 172.70 1ryb h ASN 114 N 7.79 0.84 -0.08 9.88 4.21 -1.93 0.94 115.58 137.24 1ryb h ASN 114 Ca -0.20 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.27 1ryb h ASN 114 Cb 1.07 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1ryb h ASN 114 CO 0.98 0.55 -0.11 1.23 -1.29 0.00 0.00 177.43 178.79 1ryb h GLY 115 N 0.96 0.23 1.27 2.83 0.00 -1.90 -1.47 103.07 104.98 1ryb h GLY 115 Ca 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 1ryb h GLY 115 CO -0.12 0.22 0.26 -2.00 0.00 0.00 0.00 176.54 174.90 1ryb h LEU 116 N -0.24 0.86 -0.21 3.11 5.85 -1.79 -1.51 115.31 121.37 1ryb h LEU 116 Ca 0.01 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ryb h LEU 116 Cb 0.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1ryb h LEU 116 CO 0.02 0.76 0.13 -0.61 -0.34 0.00 0.00 178.44 178.41 1ryb h GLN 117 N 0.92 0.29 -0.28 1.25 4.15 -0.74 -1.43 115.11 119.27 1ryb h GLN 117 Ca 0.22 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.58 1ryb h GLN 117 Cb 0.17 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1ryb h GLN 117 CO -0.02 0.23 0.03 -0.97 -1.93 0.00 0.00 178.83 176.17 1ryb h ASN 118 N 0.26 0.38 -0.31 -0.69 -0.73 -0.99 -2.43 115.58 111.07 1ryb h ASN 118 Ca 0.08 -0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.16 1ryb h ASN 118 Cb 0.02 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1ryb h ASN 118 CO -0.01 0.42 0.08 0.58 -0.37 0.00 0.00 177.43 178.12 1ryb h VAL 119 N 0.40 1.22 -0.29 2.57 2.07 -0.59 -1.93 116.25 119.69 1ryb h VAL 119 Ca 0.09 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1ryb h VAL 119 Cb 0.22 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ryb h VAL 119 CO 0.00 0.24 0.15 0.40 0.02 0.00 0.00 177.57 178.38 1ryb h ILE 120 N 0.34 1.00 -0.49 4.57 2.04 -1.10 -1.19 117.51 122.68 1ryb h ILE 120 Ca 0.10 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1ryb h ILE 120 Cb 0.29 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1ryb h ILE 120 CO 0.00 0.06 0.25 -0.08 0.00 0.00 0.00 178.15 178.38 1ryb h GLU 121 N 0.31 0.47 0.00 2.37 4.81 -1.34 0.16 114.58 121.36 1ryb h GLU 121 Ca 0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ryb h GLU 121 Cb 0.03 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1ryb h GLU 121 CO -0.08 0.31 0.00 0.72 -0.73 0.00 0.00 179.01 179.24 1ryb n HIS 122 N -4.89 0.00 -1.40 0.92 8.25 -0.74 -2.22 115.22 115.15 1ryb n HIS 122 Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 1ryb n HIS 122 Cb 0.13 -0.17 0.15 0.00 1.12 0.00 0.00 29.99 31.22 1ryb n HIS 122 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ryb n LEU 123 N -1.17 5.88 -2.03 2.41 4.77 -0.51 -4.61 117.00 121.74 1ryb n LEU 123 Ca 0.11 -3.91 -0.18 0.00 -0.03 0.00 0.00 56.01 52.00 1ryb n LEU 123 Cb 0.12 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.44 1ryb n LEU 123 CO 0.13 1.30 -0.23 0.47 -1.33 0.00 0.00 177.39 177.73 1ryb n ASP 124 N -1.06 -5.28 0.00 -1.43 8.00 -0.94 -1.00 116.55 114.83 1ryb n ASP 124 Ca 0.50 0.01 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1ryb n ASP 124 Cb 1.20 -4.35 0.00 0.00 -0.02 0.00 0.00 41.12 37.95 1ryb n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ryb n GLY 125 N -1.00 2.55 3.77 0.44 0.00 0.46 -4.98 105.19 106.43 1ryb n GLY 125 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1ryb n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ryb s ARG 126 N -0.01 4.22 0.00 1.61 0.52 -0.17 -4.88 118.95 120.23 1ryb s ARG 126 Ca 0.00 2.39 0.02 0.00 -0.52 0.00 0.00 55.73 57.61 1ryb s ARG 126 Cb 0.00 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.46 1ryb s ARG 126 CO 0.00 -0.37 0.28 0.54 0.02 0.00 0.00 175.30 175.77 1ryb n ARG 127 N 0.60 3.31 -1.13 3.54 1.74 -1.26 -4.73 116.66 118.73 1ryb n ARG 127 Ca 0.01 -0.27 -0.16 0.00 -0.77 0.00 0.00 57.85 56.66 1ryb n ARG 127 Cb 0.41 -0.78 -0.14 0.00 -1.02 0.00 0.00 32.46 30.93 1ryb n ARG 127 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ryb n GLU 128 N -0.54 2.12 -4.35 5.56 4.71 -1.26 -3.23 120.64 123.65 1ryb n GLU 128 Ca 0.01 -1.36 -0.30 0.00 -0.01 0.00 0.00 57.16 55.50 1ryb n GLU 128 Cb 0.03 -2.04 -0.11 0.00 -1.01 0.00 0.00 31.44 28.31 1ryb n GLU 128 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1ryb s PHE 129 N 0.30 2.59 0.51 -0.32 -0.12 -1.19 -4.20 117.98 115.55 1ryb s PHE 129 Ca 0.65 -0.23 -0.20 0.00 -0.05 0.00 0.00 56.93 57.10 1ryb s PHE 129 Cb 0.34 -1.39 -0.07 0.00 -0.63 0.00 0.00 43.02 41.26 1ryb s PHE 129 CO -0.06 0.37 1.08 -1.25 -0.05 0.00 0.00 175.22 175.31 1ryb s PRO 130 N -2.02 3.59 0.01 1.99 0.04 -1.23 -3.63 135.00 133.74 1ryb s PRO 130 Ca 0.18 1.47 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1ryb s PRO 130 Cb -0.11 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1ryb s PRO 130 CO 0.10 -0.62 -0.04 1.03 0.04 0.00 0.00 177.00 177.51 1ryb s ARG 131 N -3.27 0.30 -0.29 4.56 3.00 0.07 -1.27 118.95 122.04 1ryb s ARG 131 Ca 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 55.73 56.13 1ryb s ARG 131 Cb -0.20 -0.19 0.05 0.00 0.00 0.00 0.00 34.95 34.61 1ryb s ARG 131 CO 0.23 0.05 -0.02 -1.17 0.00 0.00 0.00 175.30 174.38 1ryb s LEU 132 N -0.52 3.81 0.09 2.53 2.96 0.50 -1.16 118.68 126.89 1ryb s LEU 132 Ca -0.03 -1.31 -0.23 0.00 -0.22 0.00 0.00 54.13 52.33 1ryb s LEU 132 Cb -0.04 -1.67 -0.07 0.00 0.50 0.00 0.00 46.19 44.91 1ryb s LEU 132 CO -0.00 -0.25 0.70 -0.44 -1.32 0.00 0.00 176.35 175.04 1ryb s SER 133 N 1.22 7.21 -0.34 3.68 0.01 0.30 -2.34 113.70 123.44 1ryb s SER 133 Ca -0.06 1.44 -0.02 0.00 1.31 0.00 0.00 55.95 58.61 1ryb s SER 133 Cb -0.20 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.66 1ryb s SER 133 CO -0.02 0.16 0.08 -0.63 0.41 0.00 0.00 173.24 173.24 1ryb s ILE 134 N -0.74 3.15 0.34 1.44 1.01 0.22 -1.55 121.20 125.08 1ryb s ILE 134 Ca 0.34 -1.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.09 1ryb s ILE 134 Cb -0.21 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 39.21 1ryb s ILE 134 CO 0.22 -0.32 1.48 -0.83 0.00 0.00 0.00 174.94 175.49 1ryb s GLY 135 N 1.45 2.71 0.00 6.18 0.00 0.10 -0.44 107.32 117.32 1ryb s GLY 135 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.23 1ryb s GLY 135 CO -0.02 2.28 0.29 0.29 0.00 0.00 0.00 173.10 175.94 1ryb n ILE 136 N 1.06 0.00 -3.39 0.90 -5.35 -0.55 -0.53 119.36 111.50 1ryb n ILE 136 Ca 0.03 -0.35 0.03 0.00 -0.27 0.00 0.00 62.75 62.19 1ryb n ILE 136 Cb 0.39 1.26 -0.01 0.00 -1.74 0.00 0.00 39.64 39.54 1ryb n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ryb n GLY 137 N 0.11 -1.69 3.99 3.28 0.00 0.14 -4.40 105.19 106.62 1ryb n GLY 137 Ca 0.00 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.59 1ryb n GLY 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ryb s SER 138 N -4.16 5.54 0.16 1.61 1.04 -1.24 -4.42 113.70 112.23 1ryb s SER 138 Ca 0.00 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 55.63 1ryb s SER 138 Cb 0.00 -0.60 -0.09 0.00 0.10 0.00 0.00 66.02 65.43 1ryb s SER 138 CO 0.00 -0.77 1.45 -2.84 0.98 0.00 0.00 173.24 172.06 1ryb s PRO 139 N -4.33 4.28 0.65 4.02 0.02 -1.26 -4.95 135.00 133.43 1ryb s PRO 139 Ca 0.54 2.21 -0.17 0.00 0.02 0.00 0.00 61.00 63.59 1ryb s PRO 139 Cb -0.09 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 1ryb s PRO 139 CO 0.32 -0.48 1.00 -0.35 -0.33 0.00 0.00 177.00 177.16 1ryb n PRO 140 N 3.63 0.78 0.00 5.54 -0.04 -1.26 -4.77 135.00 138.88 1ryb n PRO 140 Ca 0.11 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1ryb n PRO 140 Cb 0.41 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1ryb n PRO 140 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ryb n GLY 141 N 1.20 1.44 0.79 0.55 0.00 -1.26 -1.50 105.19 106.41 1ryb n GLY 141 Ca 0.14 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.48 1ryb n GLY 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ryb n LYS 142 N 9.63 1.74 -1.32 1.61 4.76 -1.26 -5.01 118.16 128.31 1ryb n LYS 142 Ca 0.00 -1.68 -0.46 0.00 -2.87 0.00 0.00 58.31 53.30 1ryb n LYS 142 Cb 0.00 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1ryb n LYS 142 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1ryb n MET 143 N 1.11 0.00 -1.72 1.97 0.00 -0.56 -4.76 117.12 113.16 1ryb n MET 143 Ca 0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.70 57.40 1ryb n MET 143 Cb 0.49 -0.99 -0.03 0.00 0.00 0.00 0.00 33.22 32.69 1ryb n MET 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1ryb s ASP 144 N -0.82 6.41 0.18 6.12 -1.08 -1.26 -4.80 116.67 121.43 1ryb s ASP 144 Ca 0.63 2.80 -0.14 0.00 -0.52 0.00 0.00 52.55 55.31 1ryb s ASP 144 Cb -0.91 -2.58 0.16 0.00 -1.46 0.00 0.00 42.92 38.14 1ryb s ASP 144 CO 0.52 -0.99 1.69 1.55 0.52 0.00 0.00 175.17 178.46 1ryb h PRO 145 N 7.96 0.12 -0.54 4.34 0.13 -1.98 -0.71 132.00 141.33 1ryb h PRO 145 Ca -0.45 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 1ryb h PRO 145 Cb 1.21 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1ryb h PRO 145 CO 0.95 0.08 0.27 -0.09 -0.23 0.00 0.00 178.00 178.98 1ryb h ARG 146 N 0.13 0.50 -0.81 0.86 2.43 -2.00 -1.08 114.38 114.40 1ryb h ARG 146 Ca 0.23 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.33 1ryb h ARG 146 Cb 0.34 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1ryb h ARG 146 CO -0.38 0.33 0.35 0.00 -1.51 0.00 0.00 179.97 178.76 1ryb h ALA 147 N 1.30 1.05 -0.84 2.80 0.00 -1.70 -2.36 119.26 119.51 1ryb h ALA 147 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ryb h ALA 147 Cb 0.17 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1ryb h ALA 147 CO -0.18 0.66 0.48 0.35 0.00 0.00 0.00 179.25 180.57 1ryb h PHE 148 N 1.18 1.13 -0.10 0.00 3.57 -0.32 -2.21 116.94 120.18 1ryb h PHE 148 Ca 0.27 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1ryb h PHE 148 Cb 0.19 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1ryb h PHE 148 CO 0.02 0.77 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.46 1ryb h LEU 149 N 1.17 0.20 -3.59 0.59 3.38 -0.72 -3.00 115.31 113.34 1ryb h LEU 149 Ca 0.30 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1ryb h LEU 149 Cb -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1ryb h LEU 149 CO -0.05 0.53 0.08 0.18 0.09 0.00 0.00 178.44 179.26 1ryb n LEU 150 N -4.10 5.68 -4.63 1.67 4.77 -0.87 -1.23 117.00 118.30 1ryb n LEU 150 Ca -0.01 -3.04 -0.23 0.00 -0.03 0.00 0.00 56.01 52.70 1ryb n LEU 150 Cb 0.41 -0.69 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1ryb n LEU 150 CO 0.40 0.69 -0.34 -1.10 -1.33 0.00 0.00 177.39 175.72 1ryb s GLN 151 N -2.85 2.20 0.66 3.23 -1.52 -0.97 -4.88 119.66 115.53 1ryb s GLN 151 Ca 0.54 -1.50 -0.11 0.00 -1.95 0.00 0.00 55.36 52.34 1ryb s GLN 151 Cb 0.42 -2.09 -0.01 0.00 -0.22 0.00 0.00 33.01 31.11 1ryb s GLN 151 CO 0.14 0.33 1.06 0.15 -0.25 0.00 0.00 175.29 176.72 1ryb s LYS 152 N -3.66 3.18 0.49 2.91 1.02 -1.26 -1.23 119.74 121.18 1ryb s LYS 152 Ca 0.32 0.56 -0.21 0.00 0.02 0.00 0.00 55.97 56.66 1ryb s LYS 152 Cb -0.06 -2.06 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 1ryb s LYS 152 CO 0.19 -0.82 1.09 -0.06 -0.92 0.00 0.00 175.35 174.83 1ryb s PHE 153 N -3.26 2.91 1.03 3.18 0.40 -1.25 -4.84 117.98 116.15 1ryb s PHE 153 Ca 0.56 1.57 -0.12 0.00 -0.60 0.00 0.00 56.93 58.34 1ryb s PHE 153 Cb -0.11 -3.19 0.21 0.00 0.51 0.00 0.00 43.02 40.44 1ryb s PHE 153 CO 0.52 -1.14 1.07 -1.54 0.70 0.00 0.00 175.22 174.84 1ryb s SER 154 N -1.77 2.22 0.23 1.36 1.04 -1.26 -4.68 113.70 110.83 1ryb s SER 154 Ca 0.67 1.45 -0.07 0.00 0.48 0.00 0.00 55.95 58.49 1ryb s SER 154 Cb -0.21 -2.14 0.28 0.00 0.10 0.00 0.00 66.02 64.05 1ryb s SER 154 CO 0.25 -3.42 1.85 0.28 0.98 0.00 0.00 173.24 173.18 1ryb h SER 155 N -2.09 0.81 -0.34 7.02 0.02 -1.99 0.10 113.55 117.09 1ryb h SER 155 Ca -0.55 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.24 1ryb h SER 155 Cb 1.32 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.69 1ryb h SER 155 CO 0.53 0.54 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.99 1ryb h GLU 156 N 0.95 0.91 -0.94 3.45 3.07 -2.02 -3.07 114.58 116.93 1ryb h GLU 156 Ca 0.34 -0.51 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 1ryb h GLU 156 Cb 0.10 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.00 1ryb h GLU 156 CO -0.15 1.15 0.55 0.93 -1.40 0.00 0.00 179.01 180.10 1ryb h GLU 157 N 0.73 1.28 -0.83 2.33 5.08 -1.76 -2.48 114.58 118.93 1ryb h GLU 157 Ca 0.05 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1ryb h GLU 157 Cb 1.03 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1ryb h GLU 157 CO 0.10 0.91 0.52 -0.09 -1.00 0.00 0.00 179.01 179.45 1ryb h ARG 158 N 1.30 0.95 -0.48 2.33 9.65 -0.74 0.15 114.38 127.54 1ryb h ARG 158 Ca 0.33 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 59.10 1ryb h ARG 158 Cb -0.03 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.31 1ryb h ARG 158 CO -0.06 0.63 0.05 0.28 2.80 0.00 0.00 179.97 183.66 1ryb h VAL 159 N 0.98 1.23 -0.01 0.20 2.07 -1.36 -0.13 116.25 119.23 1ryb h VAL 159 Ca 0.35 -0.90 -0.23 0.00 0.82 0.00 0.00 66.70 66.74 1ryb h VAL 159 Cb 0.10 0.82 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ryb h VAL 159 CO -0.15 0.32 -0.94 1.56 0.02 0.00 0.00 177.57 178.38 1ryb h GLN 160 N 0.72 0.48 -0.68 1.57 4.20 -1.14 -2.52 115.11 117.74 1ryb h GLN 160 Ca 0.15 -0.51 -0.06 0.00 0.06 0.00 0.00 58.65 58.30 1ryb h GLN 160 Cb 0.37 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1ryb h GLN 160 CO 0.01 1.15 0.20 0.82 -0.67 0.00 0.00 178.83 180.34 1ryb h ILE 161 N 0.28 1.26 -0.97 2.54 1.08 -0.23 -0.59 117.51 120.87 1ryb h ILE 161 Ca -0.09 -0.91 0.05 0.00 -0.39 0.00 0.00 64.86 63.53 1ryb h ILE 161 Cb 1.58 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 35.81 1ryb h ILE 161 CO 0.17 0.35 0.63 0.44 -0.69 0.00 0.00 178.15 179.05 1ryb h ASP 162 N 1.01 1.02 -0.41 1.72 3.32 -0.98 0.12 116.42 122.22 1ryb h ASP 162 Ca 0.22 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1ryb h ASP 162 Cb 0.32 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1ryb h ASP 162 CO -0.00 0.67 -0.17 0.74 -1.72 0.00 0.00 179.24 178.75 1ryb h THR 163 N 1.16 1.27 -0.33 0.35 2.02 -1.01 -2.47 112.91 113.91 1ryb h THR 163 Ca 0.41 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1ryb h THR 163 Cb 0.11 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1ryb h THR 163 CO -0.15 0.45 -0.14 0.00 0.37 0.00 0.00 175.52 176.05 1ryb h ALA 164 N 1.01 1.14 -0.68 6.16 0.00 0.51 -2.20 119.26 125.20 1ryb h ALA 164 Ca 0.11 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ryb h ALA 164 Cb 0.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ryb h ALA 164 CO 0.05 0.54 0.16 -0.07 0.00 0.00 0.00 179.25 179.94 1ryb h LEU 165 N 0.53 1.02 -0.93 0.00 3.38 -0.41 0.25 115.31 119.15 1ryb h LEU 165 Ca 0.09 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 1ryb h LEU 165 Cb 0.56 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1ryb h LEU 165 CO 0.04 0.98 -0.03 -0.33 0.09 0.00 0.00 178.44 179.19 1ryb h GLU 166 N 1.03 0.75 -0.35 1.13 4.39 -1.18 -2.47 114.58 117.88 1ryb h GLU 166 Ca 0.22 -0.21 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 1ryb h GLU 166 Cb 0.36 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1ryb h GLU 166 CO 0.00 0.78 -0.31 0.37 -1.16 0.00 0.00 179.01 178.69 1ryb h GLN 167 N 0.70 0.76 -0.93 2.33 4.15 -0.83 -3.12 115.11 118.16 1ryb h GLN 167 Ca 0.13 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.20 1ryb h GLN 167 Cb 0.47 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1ryb h GLN 167 CO 0.02 0.97 0.57 0.78 -1.93 0.00 0.00 178.83 179.24 1ryb h GLY 168 N 0.95 1.35 0.95 2.39 0.00 -0.25 -1.93 103.07 106.53 1ryb h GLY 168 Ca 0.07 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.86 1ryb h GLY 168 CO 0.07 0.54 0.30 -2.08 0.00 0.00 0.00 176.54 175.37 1ryb h VAL 169 N 1.29 1.09 -0.28 4.60 2.07 -1.39 0.31 116.25 123.94 1ryb h VAL 169 Ca 0.34 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 67.52 1ryb h VAL 169 Cb -0.07 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1ryb h VAL 169 CO -0.06 0.11 -0.32 -0.78 0.02 0.00 0.00 177.57 176.53 1ryb h ASP 170 N 0.61 0.77 -0.84 0.57 1.82 -1.56 -2.03 116.42 115.76 1ryb h ASP 170 Ca 0.18 -0.49 0.01 0.00 -0.39 0.00 0.00 57.03 56.35 1ryb h ASP 170 Cb -0.03 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.72 1ryb h ASP 170 CO -0.06 1.10 0.55 0.00 -1.61 0.00 0.00 179.24 179.22 1ryb h ALA 171 N 0.69 1.07 -0.29 -0.78 0.00 -1.01 -1.11 119.26 117.83 1ryb h ALA 171 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ryb h ALA 171 Cb 0.90 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ryb h ALA 171 CO 0.08 0.45 -0.08 0.28 0.00 0.00 0.00 179.25 179.98 1ryb h VAL 172 N 1.12 1.28 -0.54 0.00 2.07 -0.89 -0.01 116.25 119.29 1ryb h VAL 172 Ca 0.31 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.79 1ryb h VAL 172 Cb -0.11 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1ryb h VAL 172 CO -0.07 0.36 0.19 0.03 0.02 0.00 0.00 177.57 178.10 1ryb h ARG 173 N 0.33 0.36 -0.26 1.57 3.08 -1.23 -0.16 114.38 118.08 1ryb h ARG 173 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ryb h ARG 173 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1ryb h ARG 173 CO 0.03 0.24 0.09 1.15 -1.07 0.00 0.00 179.97 180.41 1ryb h THR 174 N 0.37 1.19 -0.30 2.04 2.02 -1.08 -0.30 112.91 116.86 1ryb h THR 174 Ca 0.26 -0.59 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1ryb h THR 174 Cb 0.30 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1ryb h THR 174 CO -0.27 0.20 -0.02 0.25 0.37 0.00 0.00 175.52 176.05 1ryb h LEU 175 N 0.26 -0.16 -0.46 2.58 5.85 -0.55 -1.00 115.31 121.83 1ryb h LEU 175 Ca 0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1ryb h LEU 175 Cb 0.22 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1ryb h LEU 175 CO -0.00 -0.04 0.20 0.58 -0.34 0.00 0.00 178.44 178.83 1ryb h VAL 176 N 0.07 1.19 -0.22 1.05 2.07 -0.91 -3.28 116.25 116.22 1ryb h VAL 176 Ca 0.14 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.94 1ryb h VAL 176 Cb 0.20 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1ryb h VAL 176 CO -0.26 0.22 -0.49 -0.07 0.02 0.00 0.00 177.57 177.00 1ryb h LEU 177 N 0.60 0.64 -2.50 2.57 3.38 -0.85 -3.32 115.31 115.82 1ryb h LEU 177 Ca 0.16 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ryb h LEU 177 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ryb h LEU 177 CO -0.02 1.02 0.03 0.07 0.09 0.00 0.00 178.44 179.63 1ryb h LYS 178 N 0.46 0.00 -4.99 1.13 2.10 -1.24 -3.51 116.57 110.52 1ryb h LYS 178 Ca 0.02 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.42 1ryb h LYS 178 Cb 1.02 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 32.49 1ryb h LYS 178 CO 0.09 0.00 -0.65 0.41 -2.00 0.00 0.00 179.45 177.31 1ryb n GLY 179 N -1.30 -0.37 0.46 0.07 0.00 -1.25 -5.13 105.19 97.68 1ryb n GLY 179 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ryb n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ryb n GLU 185 N -3.38 0.00 -3.54 1.61 1.02 -1.26 -5.03 120.64 110.06 1ryb n GLU 185 Ca -0.19 0.31 -0.29 0.00 -0.02 0.00 0.00 57.16 56.98 1ryb n GLU 185 Cb 0.63 -0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 31.86 1ryb n GLU 185 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ryb s ARG 186 N -2.32 3.59 -0.01 3.49 0.52 -1.26 -4.91 118.95 118.05 1ryb s ARG 186 Ca 0.00 -0.14 0.04 0.00 -0.52 0.00 0.00 55.73 55.11 1ryb s ARG 186 Cb 0.00 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 1ryb s ARG 186 CO 0.00 0.33 -0.12 -0.06 0.02 0.00 0.00 175.30 175.47 1ryb s PHE 187 N -1.92 1.06 0.04 -0.53 0.08 -1.26 -5.14 117.98 110.30 1ryb s PHE 187 Ca 0.41 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 57.27 1ryb s PHE 187 Cb -0.11 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.62 1ryb s PHE 187 CO 0.28 -0.02 0.09 -0.80 -0.10 0.00 0.00 175.22 174.68 1ryb s ASN 188 N -0.31 5.66 0.03 1.36 0.02 -1.26 -4.55 114.94 115.90 1ryb s ASN 188 Ca 0.04 0.09 0.04 0.00 -1.02 0.00 0.00 52.86 52.01 1ryb s ASN 188 Cb -0.05 -1.59 -0.03 0.00 0.02 0.00 0.00 41.25 39.60 1ryb s ASN 188 CO -0.00 0.22 -0.08 -0.76 0.02 0.00 0.00 177.10 176.50 1ryb s LEU 189 N -2.08 3.11 -0.03 0.60 1.43 -1.26 -5.06 118.68 115.39 1ryb s LEU 189 Ca 0.27 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1ryb s LEU 189 Cb -0.12 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1ryb s LEU 189 CO 0.19 0.26 -0.05 -0.69 0.23 0.00 0.00 176.35 176.28 1ryb s VAL 190 N -1.05 0.49 -2.54 -1.59 1.01 -1.26 -5.06 120.40 110.41 1ryb s VAL 190 Ca 0.18 -0.15 0.28 0.00 0.00 0.00 0.00 61.98 62.29 1ryb s VAL 190 Cb -0.11 -0.49 0.52 0.00 0.00 0.00 0.00 36.38 36.30 1ryb s VAL 190 CO 0.09 0.19 1.71 1.67 0.00 0.00 0.00 175.10 178.76