#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryn s TYR 2 N 0.00 3.86 -0.54 4.31 5.04 -1.26 -4.94 117.35 123.83 1ryn s TYR 2 Ca 0.00 -2.49 0.04 0.00 -2.44 0.00 0.00 57.07 52.18 1ryn s TYR 2 Cb 0.00 -3.62 0.17 0.00 0.35 0.00 0.00 41.96 38.86 1ryn s TYR 2 CO 0.00 -0.91 0.40 0.95 -1.34 0.00 0.00 175.55 174.65 1ryn s THR 3 N -0.53 1.48 0.90 4.34 -4.23 -1.26 -5.04 115.64 111.30 1ryn s THR 3 Ca 0.23 -3.35 -0.11 0.00 -1.18 0.00 0.00 61.69 57.27 1ryn s THR 3 Cb -0.11 -1.99 0.13 0.00 1.34 0.00 0.00 72.50 71.87 1ryn s THR 3 CO -0.08 -1.13 1.10 -2.16 -0.54 0.00 0.00 174.62 171.81 1ryn s PRO 4 N -0.59 1.20 0.10 3.99 0.04 -1.26 -4.80 135.00 133.68 1ryn s PRO 4 Ca 0.29 1.05 0.07 0.00 0.04 0.00 0.00 61.00 62.44 1ryn s PRO 4 Cb -0.01 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 1ryn s PRO 4 CO -0.18 -2.34 -0.08 -1.58 0.04 0.00 0.00 177.00 172.86 1ryn s TRP 5 N -2.82 2.78 -0.30 0.56 0.52 -0.60 -4.65 118.94 114.44 1ryn s TRP 5 Ca 0.64 -0.13 -0.04 0.00 0.02 0.00 0.00 56.10 56.59 1ryn s TRP 5 Cb -0.19 -1.46 0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1ryn s TRP 5 CO 0.58 0.43 0.03 -1.17 0.02 0.00 0.00 176.95 176.83 1ryn s LEU 6 N -2.18 3.83 -0.40 2.99 1.98 -0.63 -0.71 118.68 123.55 1ryn s LEU 6 Ca 0.22 -1.05 -0.12 0.00 -2.89 0.00 0.00 54.13 50.29 1ryn s LEU 6 Cb -0.11 -1.77 0.04 0.00 0.66 0.00 0.00 46.19 45.01 1ryn s LEU 6 CO 0.14 -0.23 0.25 -0.63 -1.89 0.00 0.00 176.35 173.99 1ryn s ILE 7 N 1.35 4.69 -0.07 6.68 -1.09 0.25 -1.87 121.20 131.14 1ryn s ILE 7 Ca -0.02 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.49 1ryn s ILE 7 Cb -0.19 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1ryn s ILE 7 CO -0.00 -0.34 -0.22 0.00 -1.23 0.00 0.00 174.94 173.14 1ryn s ALA 8 N 1.56 1.98 0.02 9.38 0.00 -0.60 -0.33 121.76 133.77 1ryn s ALA 8 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.12 1ryn s ALA 8 Cb -0.20 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 1ryn s ALA 8 CO 0.06 0.31 -0.08 0.20 0.00 0.00 0.00 175.76 176.26 1ryn s GLY 9 N 0.16 1.74 0.29 0.00 0.00 -0.88 -0.84 107.32 107.80 1ryn s GLY 9 Ca -0.11 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 1ryn s GLY 9 CO 0.06 -0.93 0.49 1.08 0.00 0.00 0.00 173.10 173.80 1ryn s LEU 10 N -1.50 4.11 0.00 0.66 1.43 -0.03 -4.18 118.68 119.17 1ryn s LEU 10 Ca 0.17 0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1ryn s LEU 10 Cb -0.11 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1ryn s LEU 10 CO 0.08 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1ryn n GLY 11 N -1.34 -1.87 3.35 -3.19 0.00 -1.26 -2.72 105.19 98.16 1ryn n GLY 11 Ca -0.05 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1ryn n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ryn s ASN 12 N -1.59 3.85 0.52 1.61 0.01 -1.26 -2.70 114.94 115.38 1ryn s ASN 12 Ca 0.00 -0.36 -0.18 0.00 -0.71 0.00 0.00 52.86 51.61 1ryn s ASN 12 Cb 0.00 -1.51 -0.07 0.00 0.41 0.00 0.00 41.25 40.08 1ryn s ASN 12 CO 0.00 0.18 1.01 -2.16 -1.51 0.00 0.00 177.10 174.62 1ryn s PRO 13 N 0.26 3.78 0.00 -0.60 0.04 -1.26 -4.68 135.00 132.54 1ryn s PRO 13 Ca -0.11 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1ryn s PRO 13 Cb -0.16 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1ryn s PRO 13 CO 0.06 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1ryn n GLY 14 N -0.98 2.60 0.62 0.56 0.00 -1.26 -4.66 105.19 102.06 1ryn n GLY 14 Ca 0.08 -1.62 0.42 0.00 0.00 0.00 0.00 46.02 44.90 1ryn n GLY 14 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ryn h ASN 15 N 0.00 0.00 -0.03 1.61 -0.26 -1.97 1.85 115.58 116.79 1ryn h ASN 15 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.66 1ryn h ASN 15 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1ryn h ASN 15 CO 0.00 0.00 -0.21 0.11 -1.06 0.00 0.00 177.43 176.27 1ryn h LYS 16 N 0.00 0.40 -0.02 0.81 1.79 -1.96 -3.02 116.57 114.58 1ryn h LYS 16 Ca 0.72 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 59.05 1ryn h LYS 16 Cb 3.18 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 33.79 1ryn h LYS 16 CO -0.01 0.59 -0.29 0.66 -1.08 0.00 0.00 179.45 179.32 1ryn n TYR 17 N -4.16 0.00 -1.67 -1.35 4.01 0.63 -4.93 117.16 109.68 1ryn n TYR 17 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1ryn n TYR 17 Cb 0.36 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 1ryn n TYR 17 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1ryn n TYR 18 N 0.39 2.53 -0.55 -0.72 9.36 -0.95 -1.51 117.16 125.71 1ryn n TYR 18 Ca 0.10 -0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.02 1ryn n TYR 18 Cb 0.48 -2.78 0.00 0.00 -0.63 0.00 0.00 39.34 36.41 1ryn n TYR 18 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ryn n GLY 19 N 4.47 1.10 3.83 2.98 0.00 -1.26 -4.96 105.19 111.34 1ryn n GLY 19 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1ryn n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ryn s THR 20 N -3.23 4.16 0.29 2.61 -4.23 -0.57 -3.74 115.64 110.93 1ryn s THR 20 Ca 0.00 0.80 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1ryn s THR 20 Cb 0.00 -3.51 0.29 0.00 1.34 0.00 0.00 72.50 70.61 1ryn s THR 20 CO 0.00 -0.82 1.81 0.03 -0.54 0.00 0.00 174.62 175.10 1ryn h ARG 21 N -0.23 0.87 0.00 3.99 3.08 -1.03 -0.89 114.38 120.16 1ryn h ARG 21 Ca -0.45 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1ryn h ARG 21 Cb 1.21 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 1ryn h ARG 21 CO 0.58 0.58 -0.17 1.25 -1.07 0.00 0.00 179.97 181.14 1ryn h HIS 22 N 0.90 0.00 -0.15 3.04 2.76 -1.60 -3.13 115.15 116.97 1ryn h HIS 22 Ca 0.53 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1ryn h HIS 22 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1ryn h HIS 22 CO -0.01 0.17 0.00 0.09 -1.30 0.00 0.00 177.93 176.88 1ryn n ASN 23 N -3.38 1.43 -0.31 3.26 4.13 -0.34 -4.44 115.26 115.62 1ryn n ASN 23 Ca -0.00 -1.68 0.12 0.00 1.68 0.00 0.00 54.58 54.70 1ryn n ASN 23 Cb 0.37 -0.09 0.29 0.00 -1.54 0.00 0.00 39.78 38.80 1ryn n ASN 23 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1ryn h VAL 24 N 1.88 0.55 -0.40 2.41 3.04 -1.60 0.29 116.25 122.43 1ryn h VAL 24 Ca 0.00 -0.17 0.08 0.00 -1.01 0.00 0.00 66.70 65.60 1ryn h VAL 24 Cb 0.41 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.70 1ryn h VAL 24 CO 0.00 0.09 0.27 1.23 -1.01 0.00 0.00 177.57 178.15 1ryn h GLY 25 N 0.48 0.27 1.23 3.17 0.00 -1.77 0.97 103.07 107.42 1ryn h GLY 25 Ca 0.54 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.60 1ryn h GLY 25 CO -0.48 0.06 -0.56 0.74 0.00 0.00 0.00 176.54 176.30 1ryn h PHE 26 N 0.21 1.01 -0.24 5.60 -1.00 -0.24 -2.07 116.94 120.21 1ryn h PHE 26 Ca 0.18 -0.37 0.02 0.00 2.81 0.00 0.00 57.97 60.61 1ryn h PHE 26 Cb 0.45 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1ryn h PHE 26 CO -0.00 1.18 0.11 0.93 -1.61 0.00 0.00 178.31 178.91 1ryn h GLU 27 N 0.61 0.22 -0.17 1.51 5.08 -0.05 0.45 114.58 122.23 1ryn h GLU 27 Ca 0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ryn h GLU 27 Cb 1.16 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1ryn h GLU 27 CO 0.12 0.15 0.09 1.98 -1.00 0.00 0.00 179.01 180.35 1ryn h MET 28 N 0.23 0.19 -0.89 2.33 4.05 -1.20 -0.30 114.93 119.34 1ryn h MET 28 Ca 0.10 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1ryn h MET 28 Cb 0.04 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 1ryn h MET 28 CO -0.08 0.13 0.49 -0.24 0.23 0.00 0.00 176.91 177.43 1ryn h VAL 29 N 0.20 1.26 -0.29 -5.77 3.04 -1.18 0.10 116.25 113.60 1ryn h VAL 29 Ca 0.07 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 1ryn h VAL 29 Cb 0.00 0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 29.32 1ryn h VAL 29 CO -0.04 0.29 0.12 0.44 -1.01 0.00 0.00 177.57 177.37 1ryn h ASP 30 N 1.24 0.36 -0.07 3.17 3.45 -0.18 -1.39 116.42 123.00 1ryn h ASP 30 Ca 0.31 -0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.72 1ryn h ASP 30 Cb 0.03 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 38.70 1ryn h ASP 30 CO -0.05 0.33 -0.05 -0.09 -1.57 0.00 0.00 179.24 177.81 1ryn h ARG 31 N 0.41 0.15 0.02 3.56 9.65 0.35 -1.76 114.38 126.77 1ryn h ARG 31 Ca 0.10 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1ryn h ARG 31 Cb 0.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1ryn h ARG 31 CO -0.01 0.57 -0.01 0.82 2.80 0.00 0.00 179.97 184.14 1ryn h ILE 32 N -0.26 1.04 -0.41 1.20 2.04 -0.75 -0.97 117.51 119.40 1ryn h ILE 32 Ca 0.01 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.80 1ryn h ILE 32 Cb 0.53 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1ryn h ILE 32 CO 0.01 0.04 -0.07 0.00 0.00 0.00 0.00 178.15 178.13 1ryn h ALA 33 N 0.90 0.30 0.30 1.87 0.00 -1.29 -0.57 119.26 120.76 1ryn h ALA 33 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ryn h ALA 33 Cb 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ryn h ALA 33 CO 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 179.25 178.44 1ryn h ALA 34 N 1.39 -0.76 -0.71 0.00 0.00 -1.05 0.92 119.26 119.05 1ryn h ALA 34 Ca 0.20 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1ryn h ALA 34 Cb 0.30 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 1ryn h ALA 34 CO -0.39 -0.97 0.24 0.93 0.00 0.00 0.00 179.25 179.05 1ryn h GLU 35 N -0.72 0.36 0.00 0.00 4.39 -0.67 0.14 114.58 118.07 1ryn h GLU 35 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ryn h GLU 35 Cb 0.67 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1ryn h GLU 35 CO -0.11 0.24 0.00 0.39 -1.16 0.00 0.00 179.01 178.37 1ryn n GLU 36 N -5.06 0.67 -1.78 2.33 -0.58 -0.27 -4.91 120.64 111.05 1ryn n GLU 36 Ca 0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.78 1ryn n GLU 36 Cb 0.40 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 1ryn n GLU 36 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ryn n GLY 37 N 1.16 0.45 3.58 0.62 0.00 0.47 -4.95 105.19 106.53 1ryn n GLY 37 Ca 0.18 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1ryn n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ryn s ILE 38 N -2.38 5.10 -0.04 -0.61 1.01 0.09 -5.01 121.20 119.36 1ryn s ILE 38 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 60.94 1ryn s ILE 38 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1ryn s ILE 38 CO 0.00 -0.01 0.56 0.42 0.00 0.00 0.00 174.94 175.91 1ryn s THR 39 N 2.21 5.01 -1.09 2.92 -4.23 -1.26 -4.53 115.64 114.67 1ryn s THR 39 Ca 0.17 1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 61.78 1ryn s THR 39 Cb -0.16 -3.89 0.30 0.00 1.34 0.00 0.00 72.50 70.09 1ryn s THR 39 CO 0.11 0.39 1.39 0.23 -0.54 0.00 0.00 174.62 176.20 1ryn n MET 40 N 3.03 4.25 -0.03 3.99 0.00 -1.26 -4.06 117.12 123.05 1ryn n MET 40 Ca -0.07 -4.53 -0.21 0.00 0.00 0.00 0.00 57.70 52.89 1ryn n MET 40 Cb 0.51 -2.52 -0.13 0.00 0.00 0.00 0.00 33.22 31.08 1ryn n MET 40 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1ryn n ASN 41 N 1.67 2.09 -4.66 7.83 5.03 -1.14 -4.46 115.26 121.61 1ryn n ASN 41 Ca 0.25 0.16 -0.48 0.00 0.87 0.00 0.00 54.58 55.38 1ryn n ASN 41 Cb 0.35 -0.79 -0.05 0.00 -1.02 0.00 0.00 39.78 38.27 1ryn n ASN 41 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1ryn n THR 42 N -3.50 0.17 -3.92 3.41 -1.04 -0.98 -4.75 114.28 103.66 1ryn n THR 42 Ca -0.35 -0.03 -0.35 0.00 -2.04 0.00 0.00 64.05 61.29 1ryn n THR 42 Cb 1.02 -1.50 -0.14 0.00 -1.82 0.00 0.00 70.33 67.89 1ryn n THR 42 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1ryn s ASN 43 N 1.81 4.86 -0.04 8.00 2.47 -1.26 0.05 114.94 130.84 1ryn s ASN 43 Ca 0.84 -1.33 -0.09 0.00 0.42 0.00 0.00 52.86 52.70 1ryn s ASN 43 Cb -0.75 -1.70 0.01 0.00 -1.45 0.00 0.00 41.25 37.37 1ryn s ASN 43 CO 0.44 -0.27 0.21 -1.10 -3.72 0.00 0.00 177.10 172.66 1ryn s GLN 44 N 1.23 0.41 -1.45 0.43 -1.52 -0.38 -4.93 119.66 113.45 1ryn s GLN 44 Ca -0.05 -0.04 -0.06 0.00 -1.95 0.00 0.00 55.36 53.27 1ryn s GLN 44 Cb -0.20 0.18 0.04 0.00 -0.22 0.00 0.00 33.01 32.82 1ryn s GLN 44 CO -0.02 -0.09 0.68 1.19 -0.25 0.00 0.00 175.29 176.80 1ryn n PHE 45 N 2.11 -1.89 -2.74 0.91 3.72 -1.26 -1.45 117.46 116.86 1ryn n PHE 45 Ca -0.18 0.82 -0.20 0.00 -0.05 0.00 0.00 57.45 57.83 1ryn n PHE 45 Cb 0.57 -3.88 0.02 0.00 -0.94 0.00 0.00 39.48 35.25 1ryn n PHE 45 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1ryn n LYS 46 N -4.43 -3.47 -3.72 -1.08 5.02 -1.26 -4.34 118.16 104.88 1ryn n LYS 46 Ca -0.18 0.89 -0.10 0.00 -2.02 0.00 0.00 58.31 56.91 1ryn n LYS 46 Cb 0.62 -5.57 -0.05 0.00 -0.02 0.00 0.00 35.03 30.01 1ryn n LYS 46 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ryn s SER 47 N -2.50 -0.17 -0.13 4.39 0.01 -0.53 0.88 113.70 115.65 1ryn s SER 47 Ca 0.18 -0.46 -0.03 0.00 1.31 0.00 0.00 55.95 56.95 1ryn s SER 47 Cb -0.08 0.48 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 1ryn s SER 47 CO 0.22 -0.89 -0.04 -0.76 0.41 0.00 0.00 173.24 172.18 1ryn s LEU 48 N -2.85 3.26 0.15 2.44 1.43 -1.00 -1.25 118.68 120.86 1ryn s LEU 48 Ca 0.06 -0.09 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1ryn s LEU 48 Cb 0.02 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1ryn s LEU 48 CO -0.08 0.22 0.24 -1.48 0.23 0.00 0.00 176.35 175.48 1ryn s LEU 49 N 0.04 1.16 0.15 1.79 -0.00 0.11 -1.33 118.68 120.60 1ryn s LEU 49 Ca 0.00 -0.88 0.02 0.00 -0.00 0.00 0.00 54.13 53.27 1ryn s LEU 49 Cb -0.13 1.04 -0.05 0.00 -0.00 0.00 0.00 46.19 47.05 1ryn s LEU 49 CO 0.03 -0.84 -0.03 -0.83 -0.00 0.00 0.00 176.35 174.68 1ryn s GLY 50 N -2.96 1.10 0.01 -3.48 0.00 -0.54 -2.31 107.32 99.13 1ryn s GLY 50 Ca 0.16 -1.52 0.04 0.00 0.00 0.00 0.00 44.72 43.40 1ryn s GLY 50 CO -0.02 -1.52 -0.13 -0.51 0.00 0.00 0.00 173.10 170.92 1ryn s THR 51 N -3.60 1.02 0.00 0.90 -4.23 -1.26 -2.01 115.64 106.47 1ryn s THR 51 Ca 0.20 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1ryn s THR 51 Cb 0.05 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 73.00 1ryn s THR 51 CO 0.02 0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1ryn n GLY 52 N 2.39 1.35 3.27 3.99 0.00 -0.83 -4.79 105.19 110.57 1ryn n GLY 52 Ca -0.16 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1ryn n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ryn s SER 53 N 2.00 -0.08 -0.39 1.61 1.04 -1.26 -0.11 113.70 116.51 1ryn s SER 53 Ca 0.00 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 1ryn s SER 53 Cb 0.00 0.42 0.10 0.00 0.10 0.00 0.00 66.02 66.64 1ryn s SER 53 CO 0.00 -0.80 0.16 -0.63 0.98 0.00 0.00 173.24 172.95 1ryn s ILE 54 N -3.83 3.10 0.00 -1.02 1.01 0.13 -4.91 121.20 115.69 1ryn s ILE 54 Ca 0.04 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 58.64 1ryn s ILE 54 Cb 0.03 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1ryn s ILE 54 CO -0.11 -0.63 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1ryn n GLY 55 N 4.54 2.11 0.21 6.18 0.00 -1.26 -0.90 105.19 116.07 1ryn n GLY 55 Ca -0.02 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.71 1ryn n GLY 55 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ryn n GLU 56 N 13.14 0.77 -2.98 1.61 0.00 -1.26 -4.84 120.64 127.08 1ryn n GLU 56 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 57.16 56.33 1ryn n GLU 56 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 31.44 29.90 1ryn n GLU 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1ryn s VAL 57 N -2.52 4.92 0.21 3.84 1.01 -0.08 -5.03 120.40 122.75 1ryn s VAL 57 Ca 0.25 1.42 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1ryn s VAL 57 Cb 0.19 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 1ryn s VAL 57 CO 0.52 0.02 1.13 -2.16 0.00 0.00 0.00 175.10 174.61 1ryn s PRO 58 N 2.31 4.58 0.14 2.72 0.04 -1.26 0.19 135.00 143.72 1ryn s PRO 58 Ca 0.33 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1ryn s PRO 58 Cb -0.16 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 1ryn s PRO 58 CO 0.10 0.07 0.11 0.14 0.04 0.00 0.00 177.00 177.46 1ryn s VAL 59 N -0.45 0.09 -0.07 -0.36 -7.23 0.84 -1.56 120.40 111.66 1ryn s VAL 59 Ca 0.49 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1ryn s VAL 59 Cb -0.31 -2.02 0.01 0.00 0.56 0.00 0.00 36.38 34.62 1ryn s VAL 59 CO 0.37 -0.41 -0.14 -1.48 -0.31 0.00 0.00 175.10 173.14 1ryn s LEU 60 N -3.04 1.69 -0.08 1.32 2.34 0.11 -1.97 118.68 119.06 1ryn s LEU 60 Ca 0.23 -0.33 0.01 0.00 0.06 0.00 0.00 54.13 54.10 1ryn s LEU 60 Cb 0.06 -0.90 -0.03 0.00 -0.56 0.00 0.00 46.19 44.77 1ryn s LEU 60 CO 0.02 0.04 -0.10 0.68 -1.06 0.00 0.00 176.35 175.94 1ryn s VAL 61 N 0.66 3.43 0.04 1.48 -7.23 -0.85 0.88 120.40 118.81 1ryn s VAL 61 Ca -0.14 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1ryn s VAL 61 Cb -0.16 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1ryn s VAL 61 CO 0.04 0.57 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.66 1ryn s VAL 62 N -0.45 0.31 -0.31 1.32 1.01 0.55 -1.47 120.40 121.36 1ryn s VAL 62 Ca 0.06 -1.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1ryn s VAL 62 Cb -0.12 -0.58 0.10 0.00 0.00 0.00 0.00 36.38 35.78 1ryn s VAL 62 CO 0.02 -0.52 0.10 -0.54 0.00 0.00 0.00 175.10 174.16 1ryn s LYS 63 N -1.85 0.63 0.52 2.72 1.02 -0.44 -2.07 119.74 120.27 1ryn s LYS 63 Ca -0.10 -1.00 -0.21 0.00 0.02 0.00 0.00 55.97 54.68 1ryn s LYS 63 Cb -0.08 -1.87 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 1ryn s LYS 63 CO -0.01 -0.99 1.09 -2.30 -0.92 0.00 0.00 175.35 172.21 1ryn n PRO 64 N 4.90 1.30 -0.19 -1.68 -0.02 -1.26 -2.38 135.00 135.69 1ryn n PRO 64 Ca -0.03 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 61.99 1ryn n PRO 64 Cb 0.42 -2.24 0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1ryn n PRO 64 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ryn n GLN 65 N -0.57 2.84 0.00 -0.52 -0.06 0.25 -4.57 117.38 114.76 1ryn n GLN 65 Ca 0.11 -2.11 0.14 0.00 -2.00 0.00 0.00 57.00 53.14 1ryn n GLN 65 Cb 0.44 -1.33 0.49 0.00 -4.06 0.00 0.00 30.24 25.78 1ryn n GLN 65 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1ryn n SER 66 N 0.09 1.46 0.00 1.69 3.41 -1.20 -4.85 113.62 114.22 1ryn n SER 66 Ca 0.11 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 1ryn n SER 66 Cb 0.48 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1ryn n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ryn n TYR 67 N 0.07 0.00 -0.03 7.33 4.02 -1.26 -4.56 117.16 122.74 1ryn n TYR 67 Ca 0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.06 1ryn n TYR 67 Cb 0.36 -0.57 -0.01 0.00 -0.02 0.00 0.00 39.34 39.11 1ryn n TYR 67 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 1ryn n MET 68 N 0.66 -0.03 0.02 -0.72 0.00 -1.10 -0.94 117.12 115.02 1ryn n MET 68 Ca 0.00 0.42 0.05 0.00 -0.00 0.00 0.00 57.70 58.16 1ryn n MET 68 Cb 0.00 -0.62 0.21 0.00 0.00 0.00 0.00 33.22 32.81 1ryn n MET 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1ryn n ASN 69 N -2.73 0.07 -0.71 6.12 0.23 -1.26 -2.42 115.26 114.56 1ryn n ASN 69 Ca 0.00 0.52 0.09 0.00 -0.53 0.00 0.00 54.58 54.66 1ryn n ASN 69 Cb 0.02 -0.54 0.23 0.00 -2.08 0.00 0.00 39.78 37.41 1ryn n ASN 69 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1ryn n TYR 70 N -1.59 0.73 -0.04 -2.53 4.02 -0.11 -4.63 117.16 113.01 1ryn n TYR 70 Ca 0.02 -0.90 0.24 0.00 -0.01 0.00 0.00 57.90 57.25 1ryn n TYR 70 Cb 0.10 -0.28 0.72 0.00 -0.02 0.00 0.00 39.34 39.86 1ryn n TYR 70 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1ryn h SER 71 N 1.40 0.00 0.50 7.72 0.02 -1.39 0.23 113.55 122.03 1ryn h SER 71 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1ryn h SER 71 Cb 1.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1ryn h SER 71 CO 0.17 0.00 -0.35 1.23 -1.14 0.00 0.00 176.83 176.74 1ryn h GLY 72 N 0.00 0.00 2.00 -3.77 0.00 -1.83 -1.26 103.07 98.21 1ryn h GLY 72 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ryn h GLY 72 CO -0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 1ryn h GLU 73 N 0.00 0.00 0.00 4.80 5.08 -0.85 -2.62 114.58 120.99 1ryn h GLU 73 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1ryn h GLU 73 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1ryn h GLU 73 CO 0.05 0.00 -1.50 0.00 -1.00 0.00 0.00 179.01 176.55 1ryn n ALA 74 N -1.97 1.00 -0.12 3.43 0.00 -0.68 -4.61 120.51 117.57 1ryn n ALA 74 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 53.44 52.47 1ryn n ALA 74 Cb 0.14 0.07 0.01 0.00 0.00 0.00 0.00 19.45 19.67 1ryn n ALA 74 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ryn h ILE 75 N -0.99 0.58 -0.01 0.00 2.04 -1.27 -0.45 117.51 117.42 1ryn h ILE 75 Ca -0.23 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1ryn h ILE 75 Cb 1.20 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 1ryn h ILE 75 CO -0.14 0.00 -0.39 1.23 0.00 0.00 0.00 178.15 178.85 1ryn h GLY 76 N -0.02 -0.69 1.41 5.37 0.00 -1.72 0.82 103.07 108.24 1ryn h GLY 76 Ca 0.19 0.47 -0.15 0.00 0.00 0.00 0.00 47.33 47.83 1ryn h GLY 76 CO -0.41 -0.24 -0.48 -0.56 0.00 0.00 0.00 176.54 174.84 1ryn h PRO 77 N -0.54 0.64 -0.33 4.80 0.13 -1.77 -2.73 132.00 132.20 1ryn h PRO 77 Ca 0.05 -0.37 0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1ryn h PRO 77 Cb 0.62 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 1ryn h PRO 77 CO -0.30 0.98 0.15 1.25 -0.23 0.00 0.00 178.00 179.84 1ryn h LEU 78 N 0.50 0.21 -0.75 1.56 6.46 -0.65 -0.10 115.31 122.54 1ryn h LEU 78 Ca 0.03 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 1ryn h LEU 78 Cb 1.02 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.88 1ryn h LEU 78 CO 0.10 0.16 0.44 0.00 -0.62 0.00 0.00 178.44 178.52 1ryn h ALA 79 N 1.18 1.01 -0.32 1.25 0.00 -0.76 -2.25 119.26 119.37 1ryn h ALA 79 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ryn h ALA 79 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ryn h ALA 79 CO -0.11 0.16 0.09 0.00 0.00 0.00 0.00 179.25 179.38 1ryn h ALA 80 N 1.37 0.42 0.11 0.00 0.00 -1.17 0.50 119.26 120.49 1ryn h ALA 80 Ca 0.33 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ryn h ALA 80 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ryn h ALA 80 CO -0.17 0.07 -0.31 -0.92 0.00 0.00 0.00 179.25 177.92 1ryn h TYR 81 N 0.36 -0.85 -0.00 0.00 3.20 -0.65 -2.17 116.97 116.86 1ryn h TYR 81 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1ryn h TYR 81 Cb 0.27 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.90 1ryn h TYR 81 CO 0.01 -0.42 -0.03 0.66 -1.64 0.00 0.00 178.16 176.74 1ryn n TYR 82 N -5.41 0.00 -3.08 -3.82 4.02 -0.88 -4.92 117.16 103.07 1ryn n TYR 82 Ca -0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.69 1ryn n TYR 82 Cb 0.32 -0.14 0.05 0.00 -0.02 0.00 0.00 39.34 39.56 1ryn n TYR 82 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ryn n GLN 83 N -0.98 -4.67 -3.10 -0.72 1.13 0.55 -4.88 117.38 104.71 1ryn n GLN 83 Ca 0.18 0.52 -0.41 0.00 -1.94 0.00 0.00 57.00 55.35 1ryn n GLN 83 Cb 0.22 -4.59 -0.06 0.00 0.11 0.00 0.00 30.24 25.91 1ryn n GLN 83 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ryn s VAL 84 N -3.21 4.98 0.47 5.09 1.01 0.14 -4.81 120.40 124.07 1ryn s VAL 84 Ca 0.24 1.14 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 1ryn s VAL 84 Cb -0.11 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1ryn s VAL 84 CO 0.45 0.02 1.27 -2.16 0.00 0.00 0.00 175.10 174.68 1ryn s PRO 85 N 2.52 3.62 0.26 2.72 0.04 -1.26 -4.75 135.00 138.15 1ryn s PRO 85 Ca 0.26 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 1ryn s PRO 85 Cb -0.15 -2.47 0.38 0.00 0.04 0.00 0.00 34.50 32.30 1ryn s PRO 85 CO 0.09 -0.74 1.58 1.25 0.04 0.00 0.00 177.00 179.21 1ryn h LEU 86 N 2.06 -0.90 -0.94 -3.56 5.85 -1.95 0.19 115.31 116.06 1ryn h LEU 86 Ca -0.50 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1ryn h LEU 86 Cb 1.26 0.58 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1ryn h LEU 86 CO 0.60 -0.30 0.07 -2.11 -0.34 0.00 0.00 178.44 176.36 1ryn n ARG 87 N -5.57 0.09 -0.40 1.25 1.85 -1.26 -0.79 116.66 111.83 1ryn n ARG 87 Ca 0.13 0.57 0.08 0.00 -1.00 0.00 0.00 57.85 57.63 1ryn n ARG 87 Cb 0.45 -1.87 0.24 0.00 -1.05 0.00 0.00 32.46 30.23 1ryn n ARG 87 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1ryn n HIS 88 N -2.00 0.90 -3.50 2.89 8.25 0.68 -4.58 115.22 117.86 1ryn n HIS 88 Ca -0.01 -0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 56.30 1ryn n HIS 88 Cb 0.09 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 1ryn n HIS 88 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ryn s ILE 89 N -2.15 4.90 -0.37 1.59 1.01 0.03 -1.61 121.20 124.60 1ryn s ILE 89 Ca 0.38 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1ryn s ILE 89 Cb 0.27 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1ryn s ILE 89 CO 0.13 -0.40 0.23 -0.22 0.00 0.00 0.00 174.94 174.68 1ryn s LEU 90 N 1.59 4.69 -0.17 2.97 2.96 -0.78 -3.12 118.68 126.82 1ryn s LEU 90 Ca 0.04 -0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 53.08 1ryn s LEU 90 Cb -0.21 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1ryn s LEU 90 CO 0.07 -0.34 0.12 -0.76 -1.32 0.00 0.00 176.35 174.11 1ryn s LEU 91 N 1.63 4.17 -0.13 -0.68 2.01 -0.93 -1.56 118.68 123.20 1ryn s LEU 91 Ca 0.04 0.27 0.02 0.00 0.01 0.00 0.00 54.13 54.47 1ryn s LEU 91 Cb -0.18 -2.06 0.00 0.00 0.01 0.00 0.00 46.19 43.96 1ryn s LEU 91 CO 0.08 0.25 -0.20 -0.63 1.01 0.00 0.00 176.35 176.85 1ryn s ILE 92 N -0.04 2.28 0.21 -0.59 1.01 -0.02 0.02 121.20 124.07 1ryn s ILE 92 Ca 0.09 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1ryn s ILE 92 Cb -0.11 -1.91 0.04 0.00 0.01 0.00 0.00 42.46 40.48 1ryn s ILE 92 CO 0.00 0.54 0.60 -0.72 0.00 0.00 0.00 174.94 175.36 1ryn s TYR 93 N 0.61 -0.25 0.12 3.97 -0.85 -0.89 -0.85 117.35 119.20 1ryn s TYR 93 Ca -0.11 -0.08 -0.31 0.00 -0.52 0.00 0.00 57.07 56.05 1ryn s TYR 93 Cb -0.16 0.52 -0.08 0.00 0.38 0.00 0.00 41.96 42.62 1ryn s TYR 93 CO 0.03 -0.98 1.35 0.16 -1.52 0.00 0.00 175.55 174.59 1ryn s ASP 94 N -2.85 6.87 -0.11 -0.18 -4.77 -1.26 -1.36 116.67 113.01 1ryn s ASP 94 Ca 0.07 2.29 -0.00 0.00 -3.30 0.00 0.00 52.55 51.61 1ryn s ASP 94 Cb -0.02 -2.59 0.02 0.00 -1.09 0.00 0.00 42.92 39.24 1ryn s ASP 94 CO -0.03 -0.61 -0.08 -0.62 0.70 0.00 0.00 175.17 174.53 1ryn s ASP 95 N 1.00 2.14 0.28 2.11 -1.08 0.21 -4.85 116.67 116.48 1ryn s ASP 95 Ca 0.63 -0.31 0.26 0.00 -0.52 0.00 0.00 52.55 52.61 1ryn s ASP 95 Cb -0.36 -0.85 0.85 0.00 -1.46 0.00 0.00 42.92 41.11 1ryn s ASP 95 CO 0.31 -0.10 1.75 0.71 0.52 0.00 0.00 175.17 178.37 1ryn h THR 96 N 6.15 0.00 0.00 1.71 1.35 -1.87 -1.45 112.91 118.80 1ryn h THR 96 Ca -0.30 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1ryn h THR 96 Cb 1.14 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1ryn h THR 96 CO 0.42 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.15 1ryn n SER 97 N -2.42 0.00 -4.26 5.36 3.41 -1.26 -3.72 113.62 110.73 1ryn n SER 97 Ca 0.04 -0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.37 1ryn n SER 97 Cb 0.37 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 63.86 1ryn n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ryn s LEU 98 N -2.63 2.11 0.95 1.04 1.43 -1.22 -5.04 118.68 115.32 1ryn s LEU 98 Ca 0.23 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 1ryn s LEU 98 Cb 0.17 -1.08 0.17 0.00 0.03 0.00 0.00 46.19 45.48 1ryn s LEU 98 CO 0.40 0.22 1.10 -2.84 0.23 0.00 0.00 176.35 175.47 1ryn s PRO 99 N -0.86 0.73 -0.11 1.29 0.02 -1.26 -1.04 135.00 133.77 1ryn s PRO 99 Ca 0.08 1.24 -0.36 0.00 0.02 0.00 0.00 61.00 61.99 1ryn s PRO 99 Cb -0.09 -1.72 -0.13 0.00 0.02 0.00 0.00 34.50 32.58 1ryn s PRO 99 CO 0.01 -2.73 1.78 -1.71 -0.33 0.00 0.00 177.00 174.02 1ryn n ASN 100 N -4.27 2.98 0.00 2.53 2.85 -1.26 -2.36 115.26 115.72 1ryn n ASN 100 Ca 0.09 1.02 0.00 0.00 -0.11 0.00 0.00 54.58 55.58 1ryn n ASN 100 Cb 0.53 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.26 1ryn n ASN 100 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ryn n GLY 101 N 4.13 0.92 3.65 8.20 0.00 -0.71 -4.90 105.19 116.47 1ryn n GLY 101 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1ryn n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ryn s VAL 102 N -3.62 4.76 0.42 1.61 1.01 -1.00 -4.70 120.40 118.90 1ryn s VAL 102 Ca 0.00 1.69 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 1ryn s VAL 102 Cb 0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 1ryn s VAL 102 CO 0.00 -0.15 0.72 -0.76 0.00 0.00 0.00 175.10 174.91 1ryn s LEU 103 N 3.01 3.77 -0.09 3.92 1.43 -1.26 -1.57 118.68 127.90 1ryn s LEU 103 Ca 0.38 0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 54.31 1ryn s LEU 103 Cb -0.15 -3.78 0.05 0.00 0.03 0.00 0.00 46.19 42.34 1ryn s LEU 103 CO 0.08 -0.46 0.21 -0.60 0.23 0.00 0.00 176.35 175.81 1ryn s ARG 104 N -4.37 0.15 -0.20 1.70 3.52 0.07 -4.78 118.95 115.02 1ryn s ARG 104 Ca 0.47 0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 56.53 1ryn s ARG 104 Cb -0.10 -0.15 -0.02 0.00 -1.56 0.00 0.00 34.95 33.13 1ryn s ARG 104 CO 0.39 -0.19 -0.04 -0.51 -0.81 0.00 0.00 175.30 174.15 1ryn s LEU 105 N 1.42 3.01 0.13 -0.88 1.43 -1.26 0.11 118.68 122.65 1ryn s LEU 105 Ca -0.07 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.75 1ryn s LEU 105 Cb -0.11 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1ryn s LEU 105 CO -0.07 0.03 -0.09 0.00 0.23 0.00 0.00 176.35 176.45 1ryn s GLN 106 N 1.16 0.97 -0.22 1.70 -2.07 0.15 -4.84 119.66 116.52 1ryn s GLN 106 Ca 0.02 -1.37 0.14 0.00 -1.82 0.00 0.00 55.36 52.33 1ryn s GLN 106 Cb -0.14 -0.51 0.46 0.00 -1.09 0.00 0.00 33.01 31.72 1ryn s GLN 106 CO -0.00 0.06 1.18 1.63 -1.32 0.00 0.00 175.29 176.83 1ryn n LYS 107 N -0.03 2.13 0.00 9.60 4.76 -1.26 0.12 118.16 133.49 1ryn n LYS 107 Ca -0.12 -3.47 0.00 0.00 -2.87 0.00 0.00 58.31 51.85 1ryn n LYS 107 Cb 0.60 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1ryn n LYS 107 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1ryn n LYS 108 N -0.61 0.00 0.00 1.97 2.85 -1.24 -4.31 118.16 116.81 1ryn n LYS 108 Ca 0.24 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 1ryn n LYS 108 Cb 0.89 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.27 1ryn n LYS 108 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1ryn n ARG 113 N 0.00 0.00 -3.40 -1.58 1.85 -1.26 -4.93 116.66 107.34 1ryn n ARG 113 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 1ryn n ARG 113 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 1ryn n ARG 113 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ryn s HIS 114 N 0.00 3.35 0.08 2.89 5.04 -1.26 -5.00 115.29 120.38 1ryn s HIS 114 Ca 0.00 0.57 -0.17 0.00 -1.54 0.00 0.00 55.06 53.92 1ryn s HIS 114 Cb 0.00 -2.52 -0.11 0.00 0.04 0.00 0.00 32.58 29.99 1ryn s HIS 114 CO 0.00 -0.03 1.37 -0.91 -2.34 0.00 0.00 174.74 172.83 1ryn h ASN 115 N 7.48 0.64 -0.29 9.88 2.35 -1.97 -2.73 115.58 130.95 1ryn h ASN 115 Ca -0.35 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 54.93 1ryn h ASN 115 Cb 1.16 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.32 1ryn h ASN 115 CO 0.70 1.01 0.08 1.23 -1.65 0.00 0.00 177.43 178.81 1ryn h GLY 116 N 0.28 0.35 1.87 2.83 0.00 -1.84 -1.96 103.07 104.60 1ryn h GLY 116 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1ryn h GLY 116 CO 0.07 0.01 0.06 -2.00 0.00 0.00 0.00 176.54 174.69 1ryn h LEU 117 N 0.20 0.15 -0.23 3.11 5.85 -1.86 -0.58 115.31 121.96 1ryn h LEU 117 Ca 0.13 -0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.63 1ryn h LEU 117 Cb 0.12 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ryn h LEU 117 CO -0.15 0.13 -0.82 -0.61 -0.34 0.00 0.00 178.44 176.65 1ryn h GLN 118 N 0.17 0.59 -0.53 1.25 4.15 -1.05 0.29 115.11 119.99 1ryn h GLN 118 Ca 0.05 -0.52 -0.10 0.00 0.77 0.00 0.00 58.65 58.85 1ryn h GLN 118 Cb 0.02 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1ryn h GLN 118 CO -0.01 1.14 -0.05 -0.97 -1.93 0.00 0.00 178.83 177.01 1ryn h ASN 119 N 0.39 0.96 -0.11 -0.69 -0.73 -1.04 0.43 115.58 114.78 1ryn h ASN 119 Ca -0.06 -0.33 -0.01 0.00 1.87 0.00 0.00 56.30 57.77 1ryn h ASN 119 Cb 1.43 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 39.76 1ryn h ASN 119 CO 0.15 1.06 0.03 0.58 -0.37 0.00 0.00 177.43 178.89 1ryn h VAL 120 N 0.84 1.18 -0.66 2.57 2.07 -1.03 -0.07 116.25 121.14 1ryn h VAL 120 Ca 0.14 -0.55 0.14 0.00 0.82 0.00 0.00 66.70 67.25 1ryn h VAL 120 Cb 0.60 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.61 1ryn h VAL 120 CO 0.04 0.16 0.09 0.40 0.02 0.00 0.00 177.57 178.28 1ryn h ILE 121 N -0.01 0.52 -0.84 4.57 2.04 -0.58 -0.36 117.51 122.84 1ryn h ILE 121 Ca 0.04 -0.07 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1ryn h ILE 121 Cb 0.22 0.30 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 1ryn h ILE 121 CO -0.00 0.04 0.45 -0.08 0.00 0.00 0.00 178.15 178.56 1ryn h GLU 122 N 0.20 0.65 0.00 2.37 4.81 0.94 -1.26 114.58 122.30 1ryn h GLU 122 Ca 0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1ryn h GLU 122 Cb 0.59 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1ryn h GLU 122 CO -0.50 0.43 0.00 0.45 -0.73 0.00 0.00 179.01 178.66 1ryn h HIS 123 N 0.67 0.00 -0.35 0.92 3.86 0.58 -3.13 115.15 117.70 1ryn h HIS 123 Ca 0.45 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.46 1ryn h HIS 123 Cb 0.58 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.94 1ryn h HIS 123 CO -0.08 0.00 0.26 1.28 0.86 0.00 0.00 177.93 180.25 1ryn n LEU 124 N -2.99 4.93 -3.80 2.43 4.77 -0.58 -4.76 117.00 116.99 1ryn n LEU 124 Ca 0.04 -2.51 -0.27 0.00 -0.03 0.00 0.00 56.01 53.23 1ryn n LEU 124 Cb 0.48 -0.77 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1ryn n LEU 124 CO 0.32 0.85 0.12 -0.67 -1.33 0.00 0.00 177.39 176.68 1ryn n ASP 125 N 0.16 -4.56 0.00 -1.43 2.03 -1.18 -1.56 116.55 110.01 1ryn n ASP 125 Ca 0.21 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 54.80 1ryn n ASP 125 Cb 0.80 -4.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 1ryn n ASP 125 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ryn n GLY 126 N -1.73 1.35 3.66 0.27 0.00 -0.58 -4.95 105.19 103.22 1ryn n GLY 126 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1ryn n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ryn n ARG 127 N -2.00 1.21 0.00 1.61 5.12 -0.60 -4.89 116.66 117.11 1ryn n ARG 127 Ca 0.00 0.45 0.00 0.00 -1.93 0.00 0.00 57.85 56.37 1ryn n ARG 127 Cb 0.00 -2.30 0.00 0.00 -1.16 0.00 0.00 32.46 29.00 1ryn n ARG 127 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1ryn n ARG 128 N -0.93 3.87 -0.04 5.56 0.00 -1.26 -4.79 116.66 119.06 1ryn n ARG 128 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1ryn n ARG 128 Cb 0.45 -0.50 0.00 0.00 -0.00 0.00 0.00 32.46 32.41 1ryn n ARG 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1ryn n GLU 129 N -0.79 0.29 -4.12 2.89 -0.58 -1.26 -4.23 120.64 112.83 1ryn n GLU 129 Ca 0.00 0.00 -0.26 0.00 -0.42 0.00 0.00 57.16 56.48 1ryn n GLU 129 Cb 0.00 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 1ryn n GLU 129 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1ryn s PHE 130 N 0.90 3.05 0.40 -0.32 -0.12 -1.26 -4.52 117.98 116.11 1ryn s PHE 130 Ca 0.00 -0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 56.59 1ryn s PHE 130 Cb 0.00 -1.47 -0.09 0.00 -0.63 0.00 0.00 43.02 40.83 1ryn s PHE 130 CO 0.00 0.52 1.01 -1.25 -0.05 0.00 0.00 175.22 175.45 1ryn s PRO 131 N -3.04 4.23 0.01 1.99 0.04 -1.18 -3.72 135.00 133.31 1ryn s PRO 131 Ca 0.30 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1ryn s PRO 131 Cb -0.10 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 1ryn s PRO 131 CO 0.22 -0.06 -0.03 1.03 0.04 0.00 0.00 177.00 178.20 1ryn s ARG 132 N -2.59 0.22 -0.40 4.56 3.00 0.12 -2.19 118.95 121.67 1ryn s ARG 132 Ca 0.58 -0.22 -0.05 0.00 0.00 0.00 0.00 55.73 56.03 1ryn s ARG 132 Cb -0.19 -0.13 0.09 0.00 0.00 0.00 0.00 34.95 34.72 1ryn s ARG 132 CO 0.24 0.03 0.20 -1.17 0.00 0.00 0.00 175.30 174.59 1ryn s LEU 133 N -0.42 5.00 0.06 2.53 2.96 0.10 -0.67 118.68 128.25 1ryn s LEU 133 Ca -0.03 -1.71 -0.20 0.00 -0.22 0.00 0.00 54.13 51.97 1ryn s LEU 133 Cb -0.03 -1.87 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 1ryn s LEU 133 CO -0.00 -0.50 0.60 -0.44 -1.32 0.00 0.00 176.35 174.69 1ryn s SER 134 N 1.87 7.08 -0.28 3.68 0.01 0.12 -2.09 113.70 124.09 1ryn s SER 134 Ca 0.04 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.57 1ryn s SER 134 Cb -0.22 -2.38 0.04 0.00 0.21 0.00 0.00 66.02 63.67 1ryn s SER 134 CO -0.01 0.22 -0.03 -0.63 0.41 0.00 0.00 173.24 173.20 1ryn s ILE 135 N -0.87 2.88 0.46 1.44 1.01 -0.46 -0.75 121.20 124.89 1ryn s ILE 135 Ca 0.30 -1.27 -0.23 0.00 0.00 0.00 0.00 60.65 59.45 1ryn s ILE 135 Cb -0.20 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.62 1ryn s ILE 135 CO 0.19 0.01 1.21 -0.83 0.00 0.00 0.00 174.94 175.53 1ryn s GLY 136 N 1.27 2.82 0.00 6.18 0.00 -0.61 -0.62 107.32 116.37 1ryn s GLY 136 Ca -0.04 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1ryn s GLY 136 CO -0.03 1.52 0.39 0.29 0.00 0.00 0.00 173.10 175.28 1ryn n ILE 137 N -0.40 0.13 -1.27 0.90 -5.35 -0.55 -1.75 119.36 111.08 1ryn n ILE 137 Ca 0.07 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1ryn n ILE 137 Cb 0.47 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.64 1ryn n ILE 137 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ryn n GLY 138 N -0.06 -2.39 3.85 3.28 0.00 -0.21 -4.50 105.19 105.15 1ryn n GLY 138 Ca 0.00 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 1ryn n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ryn s SER 139 N -2.56 6.78 0.63 1.61 0.15 -1.24 -4.31 113.70 114.76 1ryn s SER 139 Ca 0.00 0.97 -0.09 0.00 0.70 0.00 0.00 55.95 57.53 1ryn s SER 139 Cb 0.00 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1ryn s SER 139 CO 0.00 0.21 0.99 -2.16 1.20 0.00 0.00 173.24 173.48 1ryn s PRO 140 N -1.61 3.07 -0.14 5.44 0.04 -1.26 -5.02 135.00 135.51 1ryn s PRO 140 Ca 0.31 0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.52 1ryn s PRO 140 Cb -0.16 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1ryn s PRO 140 CO 0.17 -0.77 0.44 -2.14 0.04 0.00 0.00 177.00 174.74 1ryn s PRO 141 N -5.15 4.30 -0.05 0.56 0.02 -1.26 -4.99 135.00 128.43 1ryn s PRO 141 Ca 0.55 0.36 -0.00 0.00 0.02 0.00 0.00 61.00 61.93 1ryn s PRO 141 Cb -0.11 -3.45 -0.00 0.00 0.02 0.00 0.00 34.50 30.96 1ryn s PRO 141 CO 0.49 0.14 0.97 0.41 -0.33 0.00 0.00 177.00 178.68 1ryn n GLY 142 N 3.38 1.59 3.59 0.52 0.00 -1.26 -4.55 105.19 108.46 1ryn n GLY 142 Ca -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1ryn n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ryn s LYS 143 N 4.42 0.47 0.00 1.61 0.00 -1.26 -4.84 119.74 120.14 1ryn s LYS 143 Ca 0.03 0.94 0.00 0.00 0.00 0.00 0.00 55.97 56.94 1ryn s LYS 143 Cb 0.01 0.31 0.00 0.00 0.00 0.00 0.00 37.83 38.15 1ryn s LYS 143 CO -0.00 -0.12 0.00 -0.12 0.00 0.00 0.00 175.35 175.11 1ryn n MET 144 N 4.43 0.00 -0.51 1.78 0.00 -1.26 -4.76 117.12 116.79 1ryn n MET 144 Ca -0.16 0.20 0.07 0.00 -0.00 0.00 0.00 57.70 57.81 1ryn n MET 144 Cb 0.55 -3.31 -0.02 0.00 0.00 0.00 0.00 33.22 30.44 1ryn n MET 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1ryn n ASP 145 N 0.79 -3.06 -0.81 6.12 2.03 -1.26 -3.93 116.55 116.43 1ryn n ASP 145 Ca 0.00 0.25 -0.00 0.00 0.52 0.00 0.00 54.79 55.55 1ryn n ASP 145 Cb 0.00 -1.58 0.01 0.00 -0.72 0.00 0.00 41.12 38.83 1ryn n ASP 145 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ryn n PRO 146 N -2.42 1.12 -0.07 -0.67 -0.04 -1.26 -3.91 135.00 127.75 1ryn n PRO 146 Ca -0.00 -0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 1ryn n PRO 146 Cb 0.24 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 1ryn n PRO 146 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ryn n ARG 147 N 0.23 1.40 0.10 0.54 5.12 -1.26 -4.37 116.66 118.42 1ryn n ARG 147 Ca 0.02 -0.02 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1ryn n ARG 147 Cb 0.42 -1.39 -0.01 0.00 -1.16 0.00 0.00 32.46 30.33 1ryn n ARG 147 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ryn n ALA 148 N -2.52 2.49 0.05 7.54 0.00 -1.25 -3.42 120.51 123.40 1ryn n ALA 148 Ca -0.23 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 1ryn n ALA 148 Cb 0.94 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1ryn n ALA 148 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ryn h PHE 149 N 0.00 -0.29 -0.23 0.00 3.04 -1.80 -0.73 116.94 116.93 1ryn h PHE 149 Ca -0.01 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 1ryn h PHE 149 Cb 1.03 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 1ryn h PHE 149 CO 0.00 -0.17 -0.13 -0.07 -2.02 0.00 0.00 178.31 175.92 1ryn h LEU 150 N -0.19 0.36 -2.38 0.59 3.38 -1.76 -2.47 115.31 112.84 1ryn h LEU 150 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ryn h LEU 150 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ryn h LEU 150 CO -0.12 0.52 0.00 0.18 0.09 0.00 0.00 178.44 179.12 1ryn n LEU 151 N -4.23 3.59 -4.61 1.67 4.77 -0.90 -1.66 117.00 115.63 1ryn n LEU 151 Ca 0.00 -1.82 -0.23 0.00 -0.03 0.00 0.00 56.01 53.93 1ryn n LEU 151 Cb 0.30 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1ryn n LEU 151 CO 0.39 0.49 -0.35 -1.58 -1.33 0.00 0.00 177.39 175.01 1ryn s GLN 152 N -1.95 2.16 0.40 3.23 0.74 -0.33 -4.94 119.66 118.97 1ryn s GLN 152 Ca 0.32 -1.51 -0.16 0.00 0.05 0.00 0.00 55.36 54.06 1ryn s GLN 152 Cb 0.23 -2.07 -0.09 0.00 1.10 0.00 0.00 33.01 32.18 1ryn s GLN 152 CO 0.11 0.34 0.85 0.15 -0.55 0.00 0.00 175.29 176.19 1ryn s LYS 153 N -3.65 4.03 0.14 1.67 1.02 -1.26 -1.27 119.74 120.42 1ryn s LYS 153 Ca 0.31 0.82 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 1ryn s LYS 153 Cb -0.06 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.88 1ryn s LYS 153 CO 0.19 -0.00 1.22 -0.06 -0.92 0.00 0.00 175.35 175.78 1ryn s PHE 154 N -2.21 3.41 0.98 3.18 0.40 -1.24 -4.88 117.98 117.61 1ryn s PHE 154 Ca 0.57 1.33 -0.11 0.00 -0.60 0.00 0.00 56.93 58.12 1ryn s PHE 154 Cb -0.10 -3.46 0.16 0.00 0.51 0.00 0.00 43.02 40.14 1ryn s PHE 154 CO 0.21 -1.37 1.00 -1.13 0.70 0.00 0.00 175.22 174.63 1ryn n SER 155 N 3.06 -0.44 -0.04 1.36 3.41 -1.26 -4.60 113.62 115.11 1ryn n SER 155 Ca 0.06 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 59.01 1ryn n SER 155 Cb 0.45 -1.39 0.43 0.00 -0.26 0.00 0.00 64.21 63.44 1ryn n SER 155 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ryn h SER 156 N -2.03 0.48 -0.28 4.04 0.87 -1.99 -0.41 113.55 114.24 1ryn h SER 156 Ca -0.47 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 59.94 1ryn h SER 156 Cb 1.29 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1ryn h SER 156 CO 0.42 0.34 -0.36 -0.33 -0.53 0.00 0.00 176.83 176.36 1ryn h GLU 157 N 0.56 0.75 -0.91 2.24 5.08 -2.01 -2.72 114.58 117.57 1ryn h GLU 157 Ca 0.19 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1ryn h GLU 157 Cb 0.08 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1ryn h GLU 157 CO -0.05 1.05 0.52 0.93 -1.00 0.00 0.00 179.01 180.46 1ryn h GLU 158 N 0.49 1.25 -0.70 2.33 5.08 -1.69 -2.45 114.58 118.90 1ryn h GLU 158 Ca 0.03 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ryn h GLU 158 Cb 0.95 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1ryn h GLU 158 CO 0.09 0.90 0.39 0.00 -1.00 0.00 0.00 179.01 179.38 1ryn h ARG 159 N 1.26 0.68 -0.08 2.33 2.47 -0.91 0.14 114.38 120.28 1ryn h ARG 159 Ca 0.32 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 59.01 1ryn h ARG 159 Cb -0.01 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 1ryn h ARG 159 CO -0.06 0.45 -0.07 0.28 0.56 0.00 0.00 179.97 181.14 1ryn h VAL 160 N 0.70 0.00 -0.79 2.04 2.07 -1.13 0.77 116.25 119.91 1ryn h VAL 160 Ca 0.32 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.00 1ryn h VAL 160 Cb 0.22 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.88 1ryn h VAL 160 CO -0.20 0.00 0.29 1.56 0.02 0.00 0.00 177.57 179.24 1ryn h GLN 161 N -0.03 0.38 -0.14 1.57 4.20 -1.47 -1.19 115.11 118.43 1ryn h GLN 161 Ca 0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ryn h GLN 161 Cb 0.06 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1ryn h GLN 161 CO -0.09 0.25 0.08 0.82 -0.67 0.00 0.00 178.83 179.22 1ryn h ILE 162 N 0.39 1.09 -0.83 2.54 1.08 0.11 -0.27 117.51 121.62 1ryn h ILE 162 Ca 0.45 -0.23 0.05 0.00 -0.39 0.00 0.00 64.86 64.74 1ryn h ILE 162 Cb 0.75 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 1ryn h ILE 162 CO -0.46 0.08 0.54 0.44 -0.69 0.00 0.00 178.15 178.06 1ryn h ASP 163 N 0.13 0.83 -0.66 1.72 3.45 0.15 0.21 116.42 122.26 1ryn h ASP 163 Ca 0.05 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.43 1ryn h ASP 163 Cb 0.06 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.62 1ryn h ASP 163 CO -0.01 0.55 0.10 0.74 -1.57 0.00 0.00 179.24 179.05 1ryn h THR 164 N 0.95 1.26 -0.48 0.35 2.02 -0.83 -2.38 112.91 113.80 1ryn h THR 164 Ca 0.35 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 1ryn h THR 164 Cb 0.16 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1ryn h THR 164 CO -0.12 0.39 0.14 0.00 0.37 0.00 0.00 175.52 176.31 1ryn h ALA 165 N 1.07 0.63 -0.94 6.16 0.00 0.89 -1.41 119.26 125.66 1ryn h ALA 165 Ca 0.20 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ryn h ALA 165 Cb 0.45 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1ryn h ALA 165 CO 0.01 0.30 0.60 -0.07 0.00 0.00 0.00 179.25 180.10 1ryn h LEU 166 N 0.65 0.97 -0.56 0.00 3.38 -0.41 0.28 115.31 119.61 1ryn h LEU 166 Ca 0.15 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1ryn h LEU 166 Cb 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ryn h LEU 166 CO -0.00 0.64 -0.10 -0.33 0.09 0.00 0.00 178.44 178.73 1ryn h GLU 167 N 1.12 1.04 0.00 1.13 5.08 -1.01 -2.71 114.58 119.23 1ryn h GLU 167 Ca 0.40 -0.38 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 1ryn h GLU 167 Cb 0.11 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1ryn h GLU 167 CO -0.16 1.08 -0.64 1.96 -1.00 0.00 0.00 179.01 180.25 1ryn h GLN 168 N 0.93 0.00 -0.08 2.33 4.20 -0.41 -3.15 115.11 118.92 1ryn h GLN 168 Ca 0.14 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.74 1ryn h GLN 168 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1ryn h GLN 168 CO 0.05 0.64 -0.46 0.78 -0.67 0.00 0.00 178.83 179.17 1ryn h GLY 169 N 2.40 0.21 1.17 3.46 0.00 -0.36 -0.50 103.07 109.45 1ryn h GLY 169 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1ryn h GLY 169 CO 0.08 0.19 0.18 -2.08 0.00 0.00 0.00 176.54 174.91 1ryn h VAL 170 N 0.15 1.25 -0.12 4.60 2.07 -1.45 0.23 116.25 122.98 1ryn h VAL 170 Ca 0.01 -0.89 -0.19 0.00 0.82 0.00 0.00 66.70 66.45 1ryn h VAL 170 Cb 0.88 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ryn h VAL 170 CO 0.07 0.34 -0.70 -0.78 0.02 0.00 0.00 177.57 176.52 1ryn h ASP 171 N 0.99 0.60 -0.33 0.57 1.82 -1.43 -2.34 116.42 116.29 1ryn h ASP 171 Ca 0.21 -0.37 -0.13 0.00 -0.39 0.00 0.00 57.03 56.35 1ryn h ASP 171 Cb 0.32 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 1ryn h ASP 171 CO -0.00 1.12 -0.26 0.00 -1.61 0.00 0.00 179.24 178.48 1ryn h ALA 172 N 0.88 0.78 -0.43 -0.78 0.00 -0.55 -1.92 119.26 117.23 1ryn h ALA 172 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1ryn h ALA 172 Cb 1.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1ryn h ALA 172 CO 0.13 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.36 1ryn h VAL 173 N 0.72 1.25 0.00 0.00 2.07 -0.43 -2.22 116.25 117.64 1ryn h VAL 173 Ca 0.09 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1ryn h VAL 173 Cb 0.80 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1ryn h VAL 173 CO 0.07 0.32 -0.16 0.03 0.02 0.00 0.00 177.57 177.85 1ryn h ARG 174 N 0.58 0.00 0.02 1.57 3.08 -1.27 -2.12 114.38 116.24 1ryn h ARG 174 Ca 0.13 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.95 1ryn h ARG 174 Cb 0.41 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.48 1ryn h ARG 174 CO 0.01 0.16 -0.89 1.15 -1.07 0.00 0.00 179.97 179.33 1ryn h THR 175 N 0.00 1.34 -0.43 2.04 2.02 -1.08 -1.37 112.91 115.43 1ryn h THR 175 Ca -0.00 -2.21 -0.06 0.00 0.77 0.00 0.00 66.41 64.91 1ryn h THR 175 Cb 0.28 2.53 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1ryn h THR 175 CO 0.02 0.67 0.04 0.25 0.37 0.00 0.00 175.52 176.87 1ryn h LEU 176 N 0.16 0.71 0.03 2.58 5.85 -1.21 0.63 115.31 124.07 1ryn h LEU 176 Ca -0.12 -0.28 -0.17 0.00 0.84 0.00 0.00 57.88 58.16 1ryn h LEU 176 Cb 1.57 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 42.43 1ryn h LEU 176 CO 0.17 0.81 -0.67 0.58 -0.34 0.00 0.00 178.44 179.00 1ryn h VAL 177 N 0.59 1.44 0.00 1.05 2.07 -1.49 -3.44 116.25 116.47 1ryn h VAL 177 Ca 0.13 -2.19 -0.07 0.00 0.82 0.00 0.00 66.70 65.39 1ryn h VAL 177 Cb 0.42 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1ryn h VAL 177 CO 0.01 0.63 -0.92 -0.11 0.02 0.00 0.00 177.57 177.21 1ryn n LEU 178 N -4.19 0.83 0.00 2.57 7.94 -0.56 -4.96 117.00 118.64 1ryn n LEU 178 Ca -0.11 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1ryn n LEU 178 Cb 0.71 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1ryn n LEU 178 CO 0.47 -0.18 0.31 0.29 -1.11 0.00 0.00 177.39 177.18 1ryn n LYS 179 N -3.48 0.00 0.00 1.96 4.01 -0.96 -5.00 118.16 114.68 1ryn n LYS 179 Ca -0.09 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1ryn n LYS 179 Cb 0.40 -1.13 0.00 0.00 -0.51 0.00 0.00 35.03 33.80 1ryn n LYS 179 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ryn n GLY 180 N -0.64 3.76 0.31 0.72 0.00 0.22 -5.02 105.19 104.54 1ryn n GLY 180 Ca 0.00 -1.37 0.18 0.00 0.00 0.00 0.00 46.02 44.83 1ryn n GLY 180 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ryn h PHE 181 N 0.00 0.00 -2.29 1.61 0.04 -1.94 -3.46 116.94 110.91 1ryn h PHE 181 Ca 0.00 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.08 1ryn h PHE 181 Cb 0.00 0.00 -0.35 0.00 2.20 0.00 0.00 35.95 37.80 1ryn h PHE 181 CO 0.00 0.02 0.13 0.45 -0.60 0.00 0.00 178.31 178.31 1ryn n SER 182 N -3.42 5.77 -3.29 2.17 2.88 -1.26 -4.91 113.62 111.56 1ryn n SER 182 Ca -0.03 -3.67 -0.04 0.00 -1.33 0.00 0.00 58.87 53.80 1ryn n SER 182 Cb 0.12 -0.85 0.02 0.00 -0.75 0.00 0.00 64.21 62.75 1ryn n SER 182 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ryn s GLY 183 N -2.46 0.16 0.39 0.46 0.00 -1.26 -5.17 107.32 99.43 1ryn s GLY 183 Ca 0.44 -0.41 -0.07 0.00 0.00 0.00 0.00 44.72 44.68 1ryn s GLY 183 CO -0.12 2.06 0.71 -0.45 0.00 0.00 0.00 173.10 175.30 1ryn s SER 184 N -3.36 6.43 0.61 1.64 0.15 -1.26 -4.91 113.70 113.00 1ryn s SER 184 Ca 0.21 0.96 0.30 0.00 0.70 0.00 0.00 55.95 58.12 1ryn s SER 184 Cb -0.03 -2.25 1.71 0.00 -1.71 0.00 0.00 66.02 63.74 1ryn s SER 184 CO 0.06 -0.39 2.09 0.71 1.20 0.00 0.00 173.24 176.91 1ryn h THR 185 N 0.93 0.36 0.00 6.45 1.35 -1.95 0.75 112.91 120.81 1ryn h THR 185 Ca -0.47 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.35 1ryn h THR 185 Cb 1.19 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 1ryn h THR 185 CO 0.64 0.00 -0.17 -0.33 -0.25 0.00 0.00 175.52 175.40 1ryn h GLU 186 N 0.00 0.00 0.00 4.72 5.08 -1.91 -1.70 114.58 120.77 1ryn h GLU 186 Ca 0.08 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1ryn h GLU 186 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ryn h GLU 186 CO -0.00 0.17 -0.60 0.00 -1.00 0.00 0.00 179.01 177.58 1ryn h ARG 187 N 0.00 0.00 -0.16 2.33 2.47 0.17 -1.71 114.38 117.48 1ryn h ARG 187 Ca -0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1ryn h ARG 187 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1ryn h ARG 187 CO 0.02 0.60 -0.55 0.35 0.56 0.00 0.00 179.97 180.96 1ryn h PHE 188 N 0.00 0.58 -0.30 3.04 3.57 -1.24 -1.79 116.94 120.80 1ryn h PHE 188 Ca -0.01 -0.20 -0.12 0.00 3.53 0.00 0.00 57.97 61.17 1ryn h PHE 188 Cb 1.30 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1ryn h PHE 188 CO 0.00 0.90 -0.30 -0.91 -2.23 0.00 0.00 178.31 175.77 1ryn h ASN 189 N 0.36 0.65 -0.12 0.41 2.35 -1.03 -1.58 115.58 116.61 1ryn h ASN 189 Ca 0.01 -0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.46 1ryn h ASN 189 Cb 1.07 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.26 1ryn h ASN 189 CO 0.10 0.92 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.64 1ryn h LEU 190 N 0.54 0.29 -1.99 1.61 3.38 -1.19 -2.69 115.31 115.26 1ryn h LEU 190 Ca 0.06 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1ryn h LEU 190 Cb 0.79 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ryn h LEU 190 CO 0.06 0.68 0.01 0.58 0.09 0.00 0.00 178.44 179.86 1ryn h VAL 191 N -0.10 1.00 -0.24 1.22 2.07 -1.14 -2.30 116.25 116.76 1ryn h VAL 191 Ca 0.02 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1ryn h VAL 191 Cb 0.58 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1ryn h VAL 191 CO 0.02 0.00 0.01 1.56 0.02 0.00 0.00 177.57 179.19 1ryn h GLN 192 N 0.01 0.42 -0.25 1.57 1.08 -0.97 -1.83 115.11 115.13 1ryn h GLN 192 Ca 0.01 -0.13 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1ryn h GLN 192 Cb 0.01 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1ryn h GLN 192 CO -0.00 0.58 0.12 0.87 -0.95 0.00 0.00 178.83 179.45 1ryn h LYS 193 N 0.20 0.24 -0.33 1.46 1.57 -1.17 -2.71 116.57 115.83 1ryn h LYS 193 Ca 0.07 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1ryn h LYS 193 Cb 0.38 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1ryn h LYS 193 CO 0.01 0.16 0.10 -0.07 -0.57 0.00 0.00 179.45 179.09 1ryn h LEU 194 N 0.25 0.10 -2.31 2.94 3.38 -1.32 -1.85 115.31 116.50 1ryn h LEU 194 Ca 0.10 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1ryn h LEU 194 Cb 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ryn h LEU 194 CO -0.08 0.09 0.20 -0.08 0.09 0.00 0.00 178.44 178.67 1ryn h GLU 195 N 0.24 0.00 0.00 1.13 4.57 -1.03 -1.08 114.58 118.41 1ryn h GLU 195 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1ryn h GLU 195 Cb 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1ryn h GLU 195 CO -0.16 0.00 0.00 1.25 -1.18 0.00 0.00 179.01 178.92 1ryn h HIS 196 N 0.00 0.00 -0.01 0.92 2.76 -1.06 -2.05 115.15 115.72 1ryn h HIS 196 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1ryn h HIS 196 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1ryn h HIS 196 CO 0.00 0.00 -0.66 0.72 -1.30 0.00 0.00 177.93 176.69 1ryn n HIS 197 N -2.96 0.00 0.27 5.26 8.25 -0.41 -5.15 115.22 120.47 1ryn n HIS 197 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1ryn n HIS 197 Cb 0.11 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.25 1ryn n HIS 197 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70