#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rua s VAL 2 N 0.00 3.48 0.03 1.55 0.11 -1.26 -4.44 120.40 119.87 1rua s VAL 2 Ca 0.00 1.29 0.05 0.00 -2.93 0.00 0.00 61.98 60.39 1rua s VAL 2 Cb 0.00 -3.82 -0.02 0.00 -1.53 0.00 0.00 36.38 31.01 1rua s VAL 2 CO 0.00 0.23 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.75 1rua s GLN 3 N -0.54 1.02 -0.04 1.54 -0.21 -0.02 -5.00 119.66 116.41 1rua s GLN 3 Ca 0.51 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 55.20 1rua s GLN 3 Cb -0.33 -1.04 -0.00 0.00 1.00 0.00 0.00 33.01 32.64 1rua s GLN 3 CO 0.39 0.26 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.12 1rua s LEU 4 N -1.03 1.94 0.00 2.90 1.02 -1.26 -0.80 118.68 121.46 1rua s LEU 4 Ca 0.03 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.82 1rua s LEU 4 Cb -0.08 -1.03 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 1rua s LEU 4 CO 0.01 0.17 0.07 1.67 0.02 0.00 0.00 176.35 178.29 1rua n GLN 5 N 3.09 0.21 0.00 1.70 7.27 -0.47 -4.27 117.38 124.91 1rua n GLN 5 Ca -0.18 -0.84 0.00 0.00 0.07 0.00 0.00 57.00 56.05 1rua n GLN 5 Cb 0.53 0.65 0.00 0.00 2.41 0.00 0.00 30.24 33.83 1rua n GLN 5 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1rua n SER 7 N -2.56 0.00 0.00 1.69 3.41 0.32 -0.36 113.62 116.11 1rua n SER 7 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1rua n SER 7 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1rua n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rua n GLY 8 N -0.58 3.43 3.74 5.00 0.00 -1.26 -0.67 105.19 114.85 1rua n GLY 8 Ca 0.00 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1rua n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rua s PRO 9 N -2.31 4.14 0.00 1.61 0.02 -1.26 -4.91 135.00 132.29 1rua s PRO 9 Ca 0.00 2.55 0.25 0.00 0.02 0.00 0.00 61.00 63.82 1rua s PRO 9 Cb 0.00 -3.04 0.53 0.00 0.02 0.00 0.00 34.50 32.00 1rua s PRO 9 CO 0.00 -0.63 1.43 0.41 -0.33 0.00 0.00 177.00 177.88 1rua n GLY 10 N 2.48 0.02 2.80 0.52 0.00 -1.26 -4.82 105.19 104.93 1rua n GLY 10 Ca 0.09 -0.53 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 1rua n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rua s LEU 11 N -2.27 0.95 0.02 0.99 2.96 -1.26 -1.04 118.68 119.02 1rua s LEU 11 Ca 0.27 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 1rua s LEU 11 Cb 0.20 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 1rua s LEU 11 CO 0.44 -0.13 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 1rua s VAL 12 N 1.35 1.02 0.30 1.68 1.01 -0.14 -4.97 120.40 120.65 1rua s VAL 12 Ca -0.05 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1rua s VAL 12 Cb -0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.26 1rua s VAL 12 CO -0.02 0.11 0.77 -0.54 0.00 0.00 0.00 175.10 175.42 1rua s LYS 13 N -0.76 4.17 0.26 2.72 -0.14 -1.26 -1.19 119.74 123.53 1rua s LYS 13 Ca 0.03 0.85 -0.29 0.00 -1.36 0.00 0.00 55.97 55.19 1rua s LYS 13 Cb -0.06 -2.59 -0.14 0.00 -1.68 0.00 0.00 37.83 33.35 1rua s LYS 13 CO 0.00 0.23 1.07 -2.30 -0.76 0.00 0.00 175.35 173.60 1rua n PRO 14 N 0.07 1.38 -0.81 -1.68 -0.02 -1.26 -1.39 135.00 131.28 1rua n PRO 14 Ca 0.02 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1rua n PRO 14 Cb 0.52 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1rua n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1rua n SER 15 N 1.43 -1.78 -0.71 2.55 3.41 0.18 -4.94 113.62 113.77 1rua n SER 15 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1rua n SER 15 Cb 0.31 -1.81 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 1rua n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rua n GLN 16 N -1.47 3.09 -4.75 4.33 1.13 -0.49 -4.23 117.38 114.99 1rua n GLN 16 Ca 0.00 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.79 1rua n GLN 16 Cb 0.11 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.32 1rua n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1rua s SER 17 N -1.00 2.67 0.02 1.08 0.01 -1.26 -2.04 113.70 113.19 1rua s SER 17 Ca 0.00 -0.53 -0.23 0.00 1.31 0.00 0.00 55.95 56.50 1rua s SER 17 Cb 0.00 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1rua s SER 17 CO 0.00 0.20 0.67 -0.22 0.41 0.00 0.00 173.24 174.30 1rua s LEU 18 N -1.15 4.44 -0.13 2.44 0.20 -0.70 -4.92 118.68 118.86 1rua s LEU 18 Ca 0.09 1.30 -0.01 0.00 0.69 0.00 0.00 54.13 56.19 1rua s LEU 18 Cb -0.09 -3.06 0.04 0.00 -0.43 0.00 0.00 46.19 42.64 1rua s LEU 18 CO 0.02 0.07 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.66 1rua s SER 19 N -0.16 2.37 0.16 3.68 0.01 -1.26 -1.13 113.70 117.38 1rua s SER 19 Ca 0.34 -0.44 0.09 0.00 1.31 0.00 0.00 55.95 57.25 1rua s SER 19 Cb -0.19 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 1rua s SER 19 CO 0.20 -0.18 -0.19 -0.76 0.41 0.00 0.00 173.24 172.72 1rua s LEU 20 N 1.75 2.42 -0.05 2.44 1.43 0.08 -4.19 118.68 122.56 1rua s LEU 20 Ca 0.03 -0.84 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1rua s LEU 20 Cb -0.14 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1rua s LEU 20 CO -0.07 -0.01 -0.24 -0.89 0.23 0.00 0.00 176.35 175.37 1rua s THR 21 N -1.91 1.95 -0.18 5.49 2.01 0.15 -1.60 115.64 121.54 1rua s THR 21 Ca 0.15 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.12 1rua s THR 21 Cb -0.06 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 1rua s THR 21 CO 0.07 0.54 -0.10 0.00 -0.69 0.00 0.00 174.62 174.44 1rua s THR 23 N 1.04 5.33 -0.18 0.00 2.01 0.51 -1.58 115.64 122.77 1rua s THR 23 Ca -0.00 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.13 1rua s THR 23 Cb -0.15 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1rua s THR 23 CO -0.02 0.31 0.08 -0.69 -0.69 0.00 0.00 174.62 173.61 1rua s VAL 24 N 1.32 4.94 0.15 3.82 1.01 -0.84 -1.36 120.40 129.44 1rua s VAL 24 Ca 0.08 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1rua s VAL 24 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1rua s VAL 24 CO 0.07 0.46 -0.19 0.42 0.00 0.00 0.00 175.10 175.86 1rua s THR 25 N 0.32 1.80 0.00 3.92 -4.23 0.02 -4.77 115.64 112.70 1rua s THR 25 Ca 0.04 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1rua s THR 25 Cb -0.12 -1.77 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1rua s THR 25 CO -0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1rua n GLY 26 N 0.52 0.74 3.59 3.99 0.00 -1.26 -0.84 105.19 111.93 1rua n GLY 26 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 1rua n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rua s TYR 27 N -2.78 -0.53 0.14 1.61 6.14 -1.26 -4.41 117.35 116.26 1rua s TYR 27 Ca 0.00 1.12 -0.30 0.00 0.64 0.00 0.00 57.07 58.54 1rua s TYR 27 Cb 0.00 0.38 -0.07 0.00 0.42 0.00 0.00 41.96 42.70 1rua s TYR 27 CO 0.00 -0.37 0.94 0.45 0.64 0.00 0.00 175.55 177.21 1rua s SER 28 N -0.45 7.52 0.00 4.32 0.15 -1.26 -4.93 113.70 119.06 1rua s SER 28 Ca -0.02 1.82 0.21 0.00 0.70 0.00 0.00 55.95 58.66 1rua s SER 28 Cb -0.03 -2.59 0.97 0.00 -1.71 0.00 0.00 66.02 62.66 1rua s SER 28 CO 0.01 0.01 1.68 2.30 1.20 0.00 0.00 173.24 178.43 1rua n ILE 29 N 2.40 0.48 0.60 6.45 -5.35 -1.26 -2.12 119.36 120.56 1rua n ILE 29 Ca 0.01 0.12 0.07 0.00 -0.27 0.00 0.00 62.75 62.68 1rua n ILE 29 Cb 0.49 -0.76 0.20 0.00 -1.74 0.00 0.00 39.64 37.83 1rua n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1rua n THR 30 N -1.42 0.58 -5.04 7.28 -2.24 -1.26 -4.28 114.28 107.91 1rua n THR 30 Ca 0.07 -0.59 -0.29 0.00 -2.27 0.00 0.00 64.05 60.97 1rua n THR 30 Cb 0.22 0.31 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 1rua n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rua s SER 31 N -1.02 2.62 0.00 3.42 0.01 -0.90 -4.71 113.70 113.12 1rua s SER 31 Ca 0.30 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.12 1rua s SER 31 Cb 0.16 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1rua s SER 31 CO 0.21 0.18 0.00 0.47 0.41 0.00 0.00 173.24 174.51 1rua n ASP 32 N 3.15 0.00 -4.90 2.44 8.00 -1.26 -4.85 116.55 119.13 1rua n ASP 32 Ca -0.18 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.08 1rua n ASP 32 Cb 0.52 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 1rua n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rua s PHE 33 N -0.07 3.34 -0.19 1.24 0.40 -1.26 -1.15 117.98 120.28 1rua s PHE 33 Ca 0.00 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 1rua s PHE 33 Cb 0.00 -1.56 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1rua s PHE 33 CO 0.00 0.50 0.22 0.00 0.70 0.00 0.00 175.22 176.63 1rua s ALA 34 N -1.88 3.63 -0.40 5.36 0.00 -0.10 -0.45 121.76 127.91 1rua s ALA 34 Ca 0.33 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 1rua s ALA 34 Cb -0.10 -2.32 0.05 0.00 0.00 0.00 0.00 23.12 20.76 1rua s ALA 34 CO 0.27 0.03 0.25 -1.58 0.00 0.00 0.00 175.76 174.73 1rua s TRP 35 N 0.61 3.28 0.13 0.00 0.52 -0.23 -1.34 118.94 121.91 1rua s TRP 35 Ca 0.12 -1.19 0.03 0.00 0.02 0.00 0.00 56.10 55.08 1rua s TRP 35 Cb -0.12 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 1rua s TRP 35 CO 0.02 -0.75 0.17 -0.80 0.02 0.00 0.00 176.95 175.62 1rua s ASN 35 N 1.89 5.85 -0.11 2.95 0.01 0.02 -1.16 114.94 124.38 1rua s ASN 35 Ca 0.02 0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.21 1rua s ASN 35 Cb -0.21 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.79 1rua s ASN 35 CO 0.05 0.10 -0.14 0.26 -1.51 0.00 0.00 177.10 175.86 1rua s TRP 36 N -1.64 2.76 -0.00 2.20 0.52 0.41 -1.30 118.94 121.90 1rua s TRP 36 Ca 0.32 -0.52 0.02 0.00 0.02 0.00 0.00 56.10 55.94 1rua s TRP 36 Cb -0.11 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.43 1rua s TRP 36 CO 0.25 -0.11 -0.06 0.42 0.02 0.00 0.00 176.95 177.47 1rua s ILE 37 N 0.04 0.50 0.13 2.03 1.01 0.09 -0.36 121.20 124.65 1rua s ILE 37 Ca -0.05 -0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.36 1rua s ILE 37 Cb -0.14 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 1rua s ILE 37 CO 0.04 0.12 -0.17 0.00 0.00 0.00 0.00 174.94 174.93 1rua s ARG 38 N -0.22 1.14 -0.16 2.79 1.70 -0.17 -0.22 118.95 123.81 1rua s ARG 38 Ca 0.02 -1.29 0.01 0.00 -0.47 0.00 0.00 55.73 54.01 1rua s ARG 38 Cb -0.03 -1.16 0.02 0.00 -0.57 0.00 0.00 34.95 33.20 1rua s ARG 38 CO -0.00 0.24 -0.19 -1.14 -1.08 0.00 0.00 175.30 173.13 1rua s GLN 39 N -2.55 2.81 0.53 3.89 0.74 0.65 -0.72 119.66 125.00 1rua s GLN 39 Ca 0.11 -0.77 -0.15 0.00 0.05 0.00 0.00 55.36 54.60 1rua s GLN 39 Cb -0.06 -2.39 -0.07 0.00 1.10 0.00 0.00 33.01 31.59 1rua s GLN 39 CO 0.05 -0.14 0.97 -0.06 -0.55 0.00 0.00 175.29 175.56 1rua s PHE 40 N 1.15 3.49 0.60 1.67 0.08 0.03 -1.61 117.98 123.39 1rua s PHE 40 Ca 0.00 1.39 0.29 0.00 0.12 0.00 0.00 56.93 58.73 1rua s PHE 40 Cb -0.14 -2.74 1.23 0.00 -0.57 0.00 0.00 43.02 40.80 1rua s PHE 40 CO -0.08 -0.41 1.60 -1.35 -0.10 0.00 0.00 175.22 174.88 1rua h PRO 41 N 0.68 0.00 -0.09 0.24 0.11 -1.90 1.49 132.00 132.54 1rua h PRO 41 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1rua h PRO 41 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1rua h PRO 41 CO 0.62 0.00 -0.45 0.78 -0.21 0.00 0.00 178.00 178.74 1rua h GLY 42 N 0.00 0.22 0.00 -0.55 0.00 -1.98 -3.47 103.07 97.29 1rua h GLY 42 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1rua h GLY 42 CO -0.00 0.20 0.00 0.70 0.00 0.00 0.00 176.54 177.43 1rua n ASN 43 N -3.99 0.00 -4.73 0.19 5.03 0.51 -5.10 115.26 107.17 1rua n ASN 43 Ca -0.02 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.02 1rua n ASN 43 Cb 0.50 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.24 1rua n ASN 43 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1rua s LYS 44 N -0.69 4.12 -0.11 3.52 2.20 -1.25 -4.71 119.74 122.83 1rua s LYS 44 Ca 0.00 2.59 -0.08 0.00 -0.36 0.00 0.00 55.97 58.12 1rua s LYS 44 Cb 0.00 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1rua s LYS 44 CO 0.00 -0.70 0.17 -0.51 -0.36 0.00 0.00 175.35 173.95 1rua s LEU 45 N 0.49 4.40 -0.07 5.43 1.43 -1.26 -0.79 118.68 128.32 1rua s LEU 45 Ca 0.70 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1rua s LEU 45 Cb -0.49 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1rua s LEU 45 CO 0.38 0.40 -0.09 -0.70 0.23 0.00 0.00 176.35 176.57 1rua s GLU 46 N -1.01 1.43 -0.12 1.70 2.12 0.10 -4.99 118.70 117.94 1rua s GLU 46 Ca 0.16 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.89 1rua s GLU 46 Cb -0.12 -1.28 -0.02 0.00 0.26 0.00 0.00 34.13 32.97 1rua s GLU 46 CO 0.05 -0.05 1.15 -0.46 -0.54 0.00 0.00 175.26 175.41 1rua s TRP 47 N 0.91 3.20 -0.20 5.30 -0.00 -1.26 -1.00 118.94 125.88 1rua s TRP 47 Ca -0.10 1.29 -0.07 0.00 -0.00 0.00 0.00 56.10 57.21 1rua s TRP 47 Cb -0.15 -3.37 -0.20 0.00 -0.00 0.00 0.00 33.47 29.75 1rua s TRP 47 CO 0.01 -1.05 0.04 -1.33 -0.00 0.00 0.00 176.95 174.62 1rua n MET 48 N 5.63 0.67 0.00 5.86 2.81 0.51 -4.52 117.12 128.08 1rua n MET 48 Ca 0.11 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1rua n MET 48 Cb 0.46 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1rua n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rua n GLY 49 N 1.90 -0.44 3.18 3.03 0.00 -1.12 -0.87 105.19 110.87 1rua n GLY 49 Ca -0.40 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 1rua n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rua s TYR 50 N -2.00 0.93 -0.08 1.61 -0.85 -0.16 -0.45 117.35 116.35 1rua s TYR 50 Ca 0.00 -1.25 0.02 0.00 -0.52 0.00 0.00 57.07 55.32 1rua s TYR 50 Cb 0.00 -0.48 0.01 0.00 0.38 0.00 0.00 41.96 41.88 1rua s TYR 50 CO 0.00 -0.57 -0.14 -1.50 -1.52 0.00 0.00 175.55 171.82 1rua s ILE 51 N -4.08 1.29 0.28 -3.49 2.07 -0.31 -1.79 121.20 115.17 1rua s ILE 51 Ca 0.28 -0.55 0.02 0.00 -1.41 0.00 0.00 60.65 58.99 1rua s ILE 51 Cb 0.07 -1.18 0.05 0.00 0.13 0.00 0.00 42.46 41.53 1rua s ILE 51 CO 0.05 0.39 0.39 -0.46 -1.91 0.00 0.00 174.94 173.40 1rua n ASN 52 N 3.98 0.70 0.31 4.50 0.23 0.34 -1.06 115.26 124.26 1rua n ASN 52 Ca -0.21 -1.55 0.21 0.00 -0.53 0.00 0.00 54.58 52.50 1rua n ASN 52 Cb 0.52 -0.24 1.01 0.00 -2.08 0.00 0.00 39.78 38.99 1rua n ASN 52 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 1rua h TYR 53 N -0.27 0.00 -0.54 -2.53 -0.00 -0.94 -0.51 116.97 112.18 1rua h TYR 53 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.60 1rua h TYR 53 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.25 1rua h TYR 53 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 1rua n SER 54 N -3.06 3.56 0.00 0.10 3.41 -1.26 -4.39 113.62 111.97 1rua n SER 54 Ca -0.02 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1rua n SER 54 Cb 0.16 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1rua n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rua n GLY 55 N 1.37 0.41 3.76 5.00 0.00 -0.20 -5.06 105.19 110.47 1rua n GLY 55 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1rua n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rua s PHE 56 N -2.15 3.28 0.31 1.61 5.36 -1.26 -4.69 117.98 120.44 1rua s PHE 56 Ca 0.00 1.55 0.08 0.00 -0.96 0.00 0.00 56.93 57.59 1rua s PHE 56 Cb 0.00 -3.50 -0.06 0.00 -0.34 0.00 0.00 43.02 39.12 1rua s PHE 56 CO 0.00 -1.26 -0.07 0.95 -1.46 0.00 0.00 175.22 173.38 1rua s THR 57 N -1.16 1.88 -0.10 0.12 -4.23 -1.26 -0.50 115.64 110.38 1rua s THR 57 Ca 0.47 -2.16 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1rua s THR 57 Cb -0.36 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 70.98 1rua s THR 57 CO 0.47 -0.25 0.40 -0.55 -0.54 0.00 0.00 174.62 174.15 1rua s SER 58 N -3.51 -0.37 0.12 3.99 0.15 -0.74 -4.98 113.70 108.35 1rua s SER 58 Ca 0.31 0.60 -0.07 0.00 0.70 0.00 0.00 55.95 57.48 1rua s SER 58 Cb 0.03 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 1rua s SER 58 CO 0.14 -0.27 0.19 -1.38 1.20 0.00 0.00 173.24 173.11 1rua s HIS 59 N -0.36 0.36 0.10 3.44 -3.43 -1.26 -0.98 115.29 113.15 1rua s HIS 59 Ca -0.05 -0.77 -0.31 0.00 -0.80 0.00 0.00 55.06 53.13 1rua s HIS 59 Cb -0.03 -0.14 -0.08 0.00 -1.43 0.00 0.00 32.58 30.90 1rua s HIS 59 CO 0.02 -0.59 1.49 1.21 -2.00 0.00 0.00 174.74 174.88 1rua s ASN 60 N -2.93 6.72 0.61 7.38 3.84 -0.05 -4.89 114.94 125.62 1rua s ASN 60 Ca 0.12 2.40 0.38 0.00 0.21 0.00 0.00 52.86 55.98 1rua s ASN 60 Cb 0.05 -2.58 2.09 0.00 -0.55 0.00 0.00 41.25 40.26 1rua s ASN 60 CO -0.06 -0.76 2.18 -0.65 -2.79 0.00 0.00 177.10 175.02 1rua h PRO 61 N 7.26 0.00 -0.08 0.43 0.11 -1.95 -1.61 132.00 136.17 1rua h PRO 61 Ca -0.42 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.72 1rua h PRO 61 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rua h PRO 61 CO 0.90 0.00 0.13 0.66 -0.21 0.00 0.00 178.00 179.47 1rua h SER 62 N 0.00 0.00 -0.67 -2.05 4.64 -1.96 -2.01 113.55 111.51 1rua h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rua h SER 62 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1rua h SER 62 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1rua n LEU 63 N -3.53 3.78 -1.91 5.97 4.77 -0.60 -5.02 117.00 120.44 1rua n LEU 63 Ca -0.01 -2.00 -0.25 0.00 -0.03 0.00 0.00 56.01 53.72 1rua n LEU 63 Cb 0.22 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1rua n LEU 63 CO 0.24 0.94 0.82 1.17 -1.33 0.00 0.00 177.39 179.23 1rua n LYS 64 N 1.45 0.00 0.00 3.23 0.00 -0.76 0.19 118.16 122.27 1rua n LYS 64 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.53 1rua n LYS 64 Cb 0.59 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.95 1rua n LYS 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1rua n SER 65 N 3.62 0.00 -0.08 3.14 3.41 -1.26 -4.90 113.62 117.55 1rua n SER 65 Ca 0.26 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 1rua n SER 65 Cb -0.01 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.17 1rua n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rua n ARG 66 N -2.00 0.24 -4.99 4.33 1.74 0.13 -4.89 116.66 111.21 1rua n ARG 66 Ca 0.00 -0.15 -0.32 0.00 -0.77 0.00 0.00 57.85 56.61 1rua n ARG 66 Cb 0.00 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.80 1rua n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1rua s ILE 67 N -2.86 2.72 -0.06 0.55 2.07 -1.25 -0.84 121.20 121.52 1rua s ILE 67 Ca 0.14 -0.83 0.03 0.00 -1.41 0.00 0.00 60.65 58.59 1rua s ILE 67 Cb 0.18 -2.06 0.01 0.00 0.13 0.00 0.00 42.46 40.71 1rua s ILE 67 CO 0.67 0.57 -0.15 -0.55 -1.91 0.00 0.00 174.94 173.57 1rua s SER 68 N -0.30 2.02 -0.13 4.50 0.15 0.91 -5.00 113.70 115.86 1rua s SER 68 Ca 0.02 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.34 1rua s SER 68 Cb -0.13 -0.82 0.01 0.00 -1.71 0.00 0.00 66.02 63.38 1rua s SER 68 CO 0.03 0.08 -0.18 -0.63 1.20 0.00 0.00 173.24 173.74 1rua s ILE 69 N 0.43 1.76 0.32 6.45 1.01 -1.26 -0.65 121.20 129.26 1rua s ILE 69 Ca -0.12 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1rua s ILE 69 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1rua s ILE 69 CO 0.04 0.49 0.17 0.42 0.00 0.00 0.00 174.94 176.06 1rua s THR 70 N 1.00 0.31 0.11 2.92 -4.23 -0.96 -4.91 115.64 109.88 1rua s THR 70 Ca -0.05 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 1rua s THR 70 Cb -0.15 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 1rua s THR 70 CO -0.04 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.17 1rua s ARG 71 N -3.77 0.88 -0.31 3.99 1.70 -1.26 -0.02 118.95 120.15 1rua s ARG 71 Ca 0.35 -1.17 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1rua s ARG 71 Cb 0.04 0.30 0.10 0.00 -0.57 0.00 0.00 34.95 34.82 1rua s ARG 71 CO 0.18 -0.26 0.07 0.34 -1.08 0.00 0.00 175.30 174.55 1rua s ASP 72 N -2.94 4.24 0.32 -2.89 -1.08 -0.27 -4.99 116.67 109.06 1rua s ASP 72 Ca 0.12 -1.77 0.07 0.00 -0.52 0.00 0.00 52.55 50.45 1rua s ASP 72 Cb 0.06 -1.13 0.53 0.00 -1.46 0.00 0.00 42.92 40.92 1rua s ASP 72 CO -0.06 -0.39 1.76 0.71 0.52 0.00 0.00 175.17 177.71 1rua h THR 73 N 6.54 1.28 0.00 1.71 1.35 -1.97 -0.83 112.91 120.98 1rua h THR 73 Ca -0.11 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.42 1rua h THR 73 Cb 1.02 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1rua h THR 73 CO 0.48 0.40 -0.03 0.77 -0.25 0.00 0.00 175.52 176.89 1rua h SER 74 N 0.22 0.00 -0.01 5.36 4.64 -1.95 -1.89 113.55 119.91 1rua h SER 74 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1rua h SER 74 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1rua h SER 74 CO 0.05 0.03 -0.04 0.29 -0.87 0.00 0.00 176.83 176.29 1rua n LYS 75 N -3.46 0.95 -3.62 4.77 5.02 -0.72 -4.99 118.16 116.11 1rua n LYS 75 Ca -0.02 -1.16 -0.21 0.00 -2.02 0.00 0.00 58.31 54.89 1rua n LYS 75 Cb 0.14 -1.23 0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1rua n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rua n ASN 76 N 0.57 -2.48 -4.21 4.39 5.15 -0.40 -4.82 115.26 113.46 1rua n ASN 76 Ca 0.07 -0.71 -0.19 0.00 -0.60 0.00 0.00 54.58 53.15 1rua n ASN 76 Cb 0.31 -4.53 -0.12 0.00 -0.53 0.00 0.00 39.78 34.91 1rua n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rua s GLN 77 N -5.87 0.91 0.20 1.20 -0.21 -0.99 -1.98 119.66 112.93 1rua s GLN 77 Ca 0.14 -1.06 0.05 0.00 0.02 0.00 0.00 55.36 54.51 1rua s GLN 77 Cb -0.07 -0.92 -0.05 0.00 1.00 0.00 0.00 33.01 32.98 1rua s GLN 77 CO 0.78 0.20 -0.07 -0.59 -2.12 0.00 0.00 175.29 173.49 1rua s PHE 78 N -1.51 1.52 0.07 0.91 -0.71 -0.62 -1.11 117.98 116.53 1rua s PHE 78 Ca 0.02 -0.78 0.02 0.00 -1.04 0.00 0.00 56.93 55.15 1rua s PHE 78 Cb -0.08 -0.81 -0.03 0.00 -1.21 0.00 0.00 43.02 40.88 1rua s PHE 78 CO 0.03 0.10 -0.07 -0.06 -1.34 0.00 0.00 175.22 173.88 1rua s PHE 79 N -3.27 0.81 -0.12 3.49 0.08 0.97 -0.72 117.98 119.22 1rua s PHE 79 Ca 0.23 -0.73 0.03 0.00 0.12 0.00 0.00 56.93 56.58 1rua s PHE 79 Cb 0.03 -0.47 -0.00 0.00 -0.57 0.00 0.00 43.02 42.01 1rua s PHE 79 CO 0.06 -0.12 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.68 1rua s LEU 80 N -2.41 2.25 -0.07 -0.37 2.96 -0.63 -2.26 118.68 118.15 1rua s LEU 80 Ca 0.02 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1rua s LEU 80 Cb -0.01 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.21 1rua s LEU 80 CO -0.02 0.14 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.40 1rua s GLN 81 N 0.47 2.15 -0.18 1.98 0.74 0.18 -0.74 119.66 124.26 1rua s GLN 81 Ca -0.14 -0.60 0.00 0.00 0.05 0.00 0.00 55.36 54.67 1rua s GLN 81 Cb -0.17 -1.72 0.04 0.00 1.10 0.00 0.00 33.01 32.26 1rua s GLN 81 CO 0.06 0.12 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.68 1rua s LEU 82 N 0.44 1.90 0.00 3.68 2.96 -0.28 -0.06 118.68 127.31 1rua s LEU 82 Ca -0.14 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1rua s LEU 82 Cb -0.16 -1.04 0.10 0.00 0.50 0.00 0.00 46.19 45.60 1rua s LEU 82 CO 0.05 -0.18 0.79 -0.46 -1.32 0.00 0.00 176.35 175.24 1rua n ASN 82 N 4.80 1.94 -3.93 3.68 2.04 -0.02 -1.72 115.26 122.05 1rua n ASN 82 Ca -0.13 -2.43 -0.28 0.00 -0.44 0.00 0.00 54.58 51.30 1rua n ASN 82 Cb 0.47 -0.43 0.00 0.00 -2.53 0.00 0.00 39.78 37.29 1rua n ASN 82 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1rua n SER 82 N -2.42 -2.21 -4.85 0.53 7.64 -1.02 -4.91 113.62 106.37 1rua n SER 82 Ca 0.16 -0.90 -0.31 0.00 1.01 0.00 0.00 58.87 58.82 1rua n SER 82 Cb 0.58 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.32 1rua n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1rua s VAL 82 N -3.60 4.49 0.32 0.44 -7.23 -0.86 -4.71 120.40 109.25 1rua s VAL 82 Ca 0.31 0.95 0.04 0.00 -1.81 0.00 0.00 61.98 61.47 1rua s VAL 82 Cb -0.16 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.03 1rua s VAL 82 CO 0.86 -0.92 0.19 0.42 -0.31 0.00 0.00 175.10 175.34 1rua s THR 83 N -2.94 0.24 0.39 5.32 -4.23 -1.26 -0.64 115.64 112.52 1rua s THR 83 Ca 0.57 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.47 1rua s THR 83 Cb -0.11 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 71.65 1rua s THR 83 CO 0.46 0.00 2.18 0.71 -0.54 0.00 0.00 174.62 177.43 1rua h THR 84 N 2.14 0.00 0.00 3.99 1.35 -1.98 -0.33 112.91 118.08 1rua h THR 84 Ca -0.31 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1rua h THR 84 Cb 1.25 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1rua h THR 84 CO 0.48 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 1rua n GLU 85 N -2.95 0.04 -0.01 4.72 -0.58 -1.26 -2.16 120.64 118.44 1rua n GLU 85 Ca -0.02 0.28 0.12 0.00 -0.42 0.00 0.00 57.16 57.13 1rua n GLU 85 Cb 0.13 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.71 1rua n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1rua n ASP 86 N -1.44 2.63 -4.67 1.62 8.00 -0.13 -4.89 116.55 117.67 1rua n ASP 86 Ca 0.03 -1.87 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1rua n ASP 86 Cb 0.11 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1rua n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rua s THR 87 N -1.97 3.27 0.06 -3.53 2.01 -0.92 -4.84 115.64 109.72 1rua s THR 87 Ca 0.31 0.43 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 1rua s THR 87 Cb 0.20 -3.27 0.09 0.00 0.01 0.00 0.00 72.50 69.53 1rua s THR 87 CO 0.31 -0.03 1.14 0.00 -0.69 0.00 0.00 174.62 175.35 1rua s ALA 88 N 3.88 -1.98 -0.13 7.40 0.00 -0.87 -4.61 121.76 125.45 1rua s ALA 88 Ca 0.79 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 1rua s ALA 88 Cb -0.38 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1rua s ALA 88 CO 0.34 -1.06 0.55 0.99 0.00 0.00 0.00 175.76 176.58 1rua s THR 89 N -2.75 5.13 -0.19 0.00 2.01 -0.64 -0.95 115.64 118.26 1rua s THR 89 Ca 0.14 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.16 1rua s THR 89 Cb 0.02 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1rua s THR 89 CO -0.01 0.26 0.04 -0.31 -0.69 0.00 0.00 174.62 173.91 1rua s TYR 90 N 1.00 3.16 -0.03 4.92 1.51 -0.16 -0.25 117.35 127.50 1rua s TYR 90 Ca 0.28 -0.10 0.07 0.00 -1.01 0.00 0.00 57.07 56.31 1rua s TYR 90 Cb -0.16 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1rua s TYR 90 CO 0.12 0.02 -0.24 0.71 -1.11 0.00 0.00 175.55 175.04 1rua s TYR 91 N 0.59 2.39 0.08 2.71 2.02 0.69 -0.97 117.35 124.86 1rua s TYR 91 Ca 0.02 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.26 1rua s TYR 91 Cb -0.13 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.85 1rua s TYR 91 CO 0.02 -0.02 0.29 0.00 -1.57 0.00 0.00 175.55 174.26 1rua s ALA 93 N -1.52 -1.12 -0.11 0.00 0.00 -0.42 -0.60 121.76 117.99 1rua s ALA 93 Ca 0.36 1.53 -0.12 0.00 0.00 0.00 0.00 51.96 53.73 1rua s ALA 93 Cb -0.13 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 1rua s ALA 93 CO 0.24 -0.53 0.27 0.20 0.00 0.00 0.00 175.76 175.94 1rua s GLY 94 N 2.05 2.26 -0.01 0.00 0.00 0.32 -0.80 107.32 111.14 1rua s GLY 94 Ca -0.05 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.26 1rua s GLY 94 CO -0.13 0.12 -0.18 1.08 0.00 0.00 0.00 173.10 173.99 1rua s LEU 95 N -0.35 2.05 0.17 0.66 1.02 -0.45 -1.37 118.68 120.41 1rua s LEU 95 Ca 0.17 -0.33 -0.31 0.00 0.02 0.00 0.00 54.13 53.68 1rua s LEU 95 Cb -0.14 -0.89 -0.10 0.00 0.02 0.00 0.00 46.19 45.08 1rua s LEU 95 CO 0.06 0.21 1.54 -0.76 0.02 0.00 0.00 176.35 177.42 1rua s LEU 96 N -0.48 4.37 0.43 1.79 1.43 -0.27 -0.92 118.68 125.02 1rua s LEU 96 Ca 0.07 2.61 0.14 0.00 -1.03 0.00 0.00 54.13 55.92 1rua s LEU 96 Cb -0.07 -3.60 1.03 0.00 0.03 0.00 0.00 46.19 43.59 1rua s LEU 96 CO -0.00 -0.80 1.95 -0.25 0.23 0.00 0.00 176.35 177.48 1rua h TRP 97 N 6.56 0.46 -0.13 0.29 2.91 -1.42 -3.01 115.95 121.62 1rua h TRP 97 Ca -0.43 0.01 -0.21 0.00 1.13 0.00 0.00 58.89 59.39 1rua h TRP 97 Cb 1.21 -0.15 0.01 0.00 -0.51 0.00 0.00 29.16 29.71 1rua h TRP 97 CO 0.64 0.20 -0.77 -0.92 -1.03 0.00 0.00 178.44 176.56 1rua h TYR 98 N 0.42 0.93 0.00 2.65 3.20 -1.90 -3.50 116.97 118.77 1rua h TYR 98 Ca 0.32 -0.41 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1rua h TYR 98 Cb 0.66 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1rua h TYR 98 CO -0.00 1.23 0.00 -0.40 -1.64 0.00 0.00 178.16 177.35 1rua n ASP 99 N -3.90 -0.11 0.00 -2.11 5.68 -1.14 -5.26 116.55 109.70 1rua n ASP 99 Ca -0.07 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1rua n ASP 99 Cb 0.74 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.93 1rua n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rua n GLY 100 N 0.95 1.60 2.31 6.12 0.00 -1.25 -4.97 105.19 109.95 1rua n GLY 100 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1rua n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rua n ALA 100 N -0.91 -0.29 -1.66 4.61 0.00 -1.26 -1.12 120.51 119.89 1rua n ALA 100 Ca 0.00 0.16 -0.58 0.00 0.00 0.00 0.00 53.44 53.02 1rua n ALA 100 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.87 1rua n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rua n GLY 101 N -1.21 0.53 2.76 0.00 0.00 -1.26 -4.77 105.19 101.25 1rua n GLY 101 Ca -0.14 0.86 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 1rua n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rua s SER 102 N 2.28 1.62 0.12 1.61 0.01 -0.47 -4.97 113.70 113.90 1rua s SER 102 Ca 0.95 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 58.19 1rua s SER 102 Cb -1.13 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.63 1rua s SER 102 CO 0.62 -0.20 -0.14 0.26 0.41 0.00 0.00 173.24 174.19 1rua s TRP 103 N 1.98 2.62 1.07 2.43 0.52 -1.26 -0.52 118.94 125.77 1rua s TRP 103 Ca 0.05 -0.22 -0.18 0.00 0.02 0.00 0.00 56.10 55.77 1rua s TRP 103 Cb -0.12 -1.37 0.24 0.00 -1.15 0.00 0.00 33.47 31.07 1rua s TRP 103 CO -0.05 0.42 1.25 0.20 0.02 0.00 0.00 176.95 178.78 1rua s GLY 104 N -2.24 1.71 0.28 0.98 0.00 0.23 -4.69 107.32 103.60 1rua s GLY 104 Ca 0.20 -1.14 0.25 0.00 0.00 0.00 0.00 44.72 44.03 1rua s GLY 104 CO 0.12 -0.31 1.75 0.06 0.00 0.00 0.00 173.10 174.72 1rua h GLN 105 N -2.05 0.00 0.00 2.90 -0.00 -1.91 -3.45 115.11 110.60 1rua h GLN 105 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1rua h GLN 105 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 1rua h GLN 105 CO 0.35 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.59 1rua n GLY 106 N 0.18 0.51 2.88 0.06 0.00 -1.26 -5.03 105.19 102.53 1rua n GLY 106 Ca 0.02 -1.41 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 1rua n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rua s THR 107 N -1.11 0.60 0.20 2.61 -1.32 -0.14 -4.92 115.64 111.56 1rua s THR 107 Ca 0.00 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.06 1rua s THR 107 Cb 0.00 -0.64 -0.08 0.00 -1.51 0.00 0.00 72.50 70.27 1rua s THR 107 CO 0.00 0.26 1.05 -0.22 -2.21 0.00 0.00 174.62 173.50 1rua s LEU 108 N 1.17 4.54 -0.14 9.08 2.96 -1.26 -0.99 118.68 134.02 1rua s LEU 108 Ca -0.07 2.06 -0.00 0.00 -0.22 0.00 0.00 54.13 55.90 1rua s LEU 108 Cb -0.14 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.97 1rua s LEU 108 CO -0.01 -0.11 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.12 1rua s VAL 109 N -0.59 1.27 -0.19 1.68 1.01 -0.12 -4.56 120.40 118.89 1rua s VAL 109 Ca 0.46 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 1rua s VAL 109 Cb -0.28 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1rua s VAL 109 CO 0.35 0.32 0.12 -0.89 0.00 0.00 0.00 175.10 175.00 1rua s THR 110 N 1.59 5.34 -0.37 3.92 2.01 -0.21 -2.04 115.64 125.88 1rua s THR 110 Ca 0.03 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.09 1rua s THR 110 Cb -0.14 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 68.97 1rua s THR 110 CO -0.09 0.45 0.21 -0.69 -0.69 0.00 0.00 174.62 173.81 1rua s VAL 111 N 0.29 4.62 -0.08 3.82 1.01 -1.26 -0.97 120.40 127.84 1rua s VAL 111 Ca 0.08 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1rua s VAL 111 Cb -0.11 -3.57 0.10 0.00 0.00 0.00 0.00 36.38 32.80 1rua s VAL 111 CO -0.01 -0.22 0.86 -0.55 0.00 0.00 0.00 175.10 175.17 1rua s SER 112 N 1.57 -0.47 0.00 3.32 0.15 -0.33 -4.44 113.70 113.49 1rua s SER 112 Ca 0.02 0.42 0.27 0.00 0.70 0.00 0.00 55.95 57.37 1rua s SER 112 Cb -0.19 0.41 0.95 0.00 -1.71 0.00 0.00 66.02 65.47 1rua s SER 112 CO 0.07 -0.50 1.68 0.00 1.20 0.00 0.00 173.24 175.69 1rua n ALA 113 N 0.58 2.79 -1.64 5.45 0.00 -1.26 -4.33 120.51 122.10 1rua n ALA 113 Ca -0.13 -0.42 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 1rua n ALA 113 Cb 0.59 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.89 1rua n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rua s ALA 114 N -2.23 2.66 0.29 0.00 0.00 -1.26 -4.99 121.76 116.23 1rua s ALA 114 Ca 0.32 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 1rua s ALA 114 Cb 0.20 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 1rua s ALA 114 CO 0.42 -0.91 0.73 -1.59 0.00 0.00 0.00 175.76 174.40 1rua s LYS 115 N -3.91 4.06 0.15 0.00 -2.85 -1.26 -5.00 119.74 110.93 1rua s LYS 115 Ca 0.66 0.71 -0.31 0.00 -1.00 0.00 0.00 55.97 56.03 1rua s LYS 115 Cb -0.18 -2.56 -0.11 0.00 -2.06 0.00 0.00 37.83 32.92 1rua s LYS 115 CO 0.36 0.23 1.77 0.99 0.10 0.00 0.00 175.35 178.79 1rua s THR 116 N -1.85 2.43 -0.05 3.79 2.01 -1.26 -4.71 115.64 116.00 1rua s THR 116 Ca 0.51 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.62 1rua s THR 116 Cb -0.12 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.35 1rua s THR 116 CO 0.18 0.00 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.20 1rua s THR 117 N 2.17 0.46 0.43 -0.82 2.01 0.84 -4.94 115.64 115.80 1rua s THR 117 Ca 0.78 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.50 1rua s THR 117 Cb -0.46 -0.52 -0.09 0.00 0.01 0.00 0.00 72.50 71.44 1rua s THR 117 CO 0.34 0.22 1.05 0.00 -0.69 0.00 0.00 174.62 175.54 1rua s ALA 118 N 1.10 3.01 0.54 7.40 0.00 -1.26 -1.82 121.76 130.73 1rua s ALA 118 Ca -0.08 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 1rua s ALA 118 Cb -0.14 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1rua s ALA 118 CO -0.01 -0.25 0.92 -1.25 0.00 0.00 0.00 175.76 175.17 1rua s PRO 119 N -2.77 3.65 -0.11 0.00 0.04 -1.26 -4.55 135.00 130.00 1rua s PRO 119 Ca 0.61 0.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 1rua s PRO 119 Cb -0.20 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1rua s PRO 119 CO 0.25 -0.36 0.49 -1.12 0.04 0.00 0.00 177.00 176.30 1rua s SER 120 N -3.89 6.71 -0.27 6.66 0.01 -0.67 -4.93 113.70 117.32 1rua s SER 120 Ca 0.53 0.85 -0.05 0.00 1.31 0.00 0.00 55.95 58.59 1rua s SER 120 Cb -0.11 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.84 1rua s SER 120 CO 0.46 0.01 0.02 -0.69 0.41 0.00 0.00 173.24 173.44 1rua s VAL 121 N 0.55 3.58 -0.09 3.43 1.01 -1.26 -0.88 120.40 126.74 1rua s VAL 121 Ca 0.27 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1rua s VAL 121 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1rua s VAL 121 CO 0.11 0.18 -0.07 -0.31 0.00 0.00 0.00 175.10 175.01 1rua s TYR 122 N 1.45 2.93 0.24 5.22 2.02 0.36 -4.96 117.35 124.61 1rua s TYR 122 Ca 0.03 -0.10 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1rua s TYR 122 Cb -0.16 -1.76 -0.09 0.00 -0.40 0.00 0.00 41.96 39.55 1rua s TYR 122 CO -0.00 0.21 0.93 -1.25 -1.57 0.00 0.00 175.55 173.86 1rua s PRO 123 N -0.49 4.84 -0.50 -1.71 0.04 -1.26 -0.62 135.00 135.29 1rua s PRO 123 Ca 0.07 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 1rua s PRO 123 Cb -0.12 -3.28 0.13 0.00 0.04 0.00 0.00 34.50 31.27 1rua s PRO 123 CO 0.02 0.52 0.35 -0.51 0.04 0.00 0.00 177.00 177.42 1rua s LEU 124 N -1.18 5.55 -0.10 -3.56 1.43 0.81 -4.87 118.68 116.77 1rua s LEU 124 Ca 0.41 -2.18 -0.07 0.00 -1.03 0.00 0.00 54.13 51.26 1rua s LEU 124 Cb -0.26 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1rua s LEU 124 CO 0.32 -0.58 0.16 0.00 0.23 0.00 0.00 176.35 176.48 1rua s ALA 125 N 0.95 3.87 0.48 4.21 0.00 -1.26 -1.00 121.76 129.02 1rua s ALA 125 Ca 0.09 -0.62 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1rua s ALA 125 Cb -0.23 -1.99 -0.07 0.00 0.00 0.00 0.00 23.12 20.83 1rua s ALA 125 CO -0.03 0.62 1.14 -1.25 0.00 0.00 0.00 175.76 176.25 1rua s PRO 126 N -1.12 3.68 0.56 0.00 0.04 -1.26 -4.88 135.00 132.01 1rua s PRO 126 Ca 0.17 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.71 1rua s PRO 126 Cb -0.12 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1rua s PRO 126 CO 0.06 -0.60 1.15 0.14 0.04 0.00 0.00 177.00 177.79 1rua s VAL 127 N -1.63 3.00 0.25 -0.36 -7.23 -1.26 -4.50 120.40 108.66 1rua s VAL 127 Ca 0.66 0.62 -0.05 0.00 -1.81 0.00 0.00 61.98 61.39 1rua s VAL 127 Cb -0.26 -3.24 0.24 0.00 0.56 0.00 0.00 36.38 33.68 1rua s VAL 127 CO 0.32 -0.14 1.68 0.00 -0.31 0.00 0.00 175.10 176.64 1rua h GLY 129 N 0.24 0.00 -3.41 0.00 0.00 -2.04 -1.88 103.07 95.98 1rua h GLY 129 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.60 1rua h GLY 129 CO -0.54 0.00 0.18 1.22 0.00 0.00 0.00 176.54 177.40 1rua n ASP 130 N -3.14 4.86 -0.42 0.19 9.92 0.00 -4.18 116.55 123.79 1rua n ASP 130 Ca -0.02 -3.17 0.05 0.00 -0.53 0.00 0.00 54.79 51.12 1rua n ASP 130 Cb 0.15 -0.71 0.06 0.00 -0.64 0.00 0.00 41.12 39.98 1rua n ASP 130 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1rua n THR 133 N -0.07 0.25 1.20 -3.53 -2.24 -0.71 -4.64 114.28 104.55 1rua n THR 133 Ca 0.36 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1rua n THR 133 Cb 1.30 1.02 0.30 0.00 -2.10 0.00 0.00 70.33 70.85 1rua n THR 133 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rua n THR 134 N 0.49 0.02 -1.64 4.28 -2.24 -1.26 -4.92 114.28 109.00 1rua n THR 134 Ca 0.07 -0.39 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 1rua n THR 134 Cb 0.28 1.02 0.20 0.00 -2.10 0.00 0.00 70.33 69.72 1rua n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rua n GLY 135 N 1.27 -1.76 0.09 3.38 0.00 -1.26 -5.01 105.19 101.90 1rua n GLY 135 Ca 0.16 -1.66 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 1rua n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rua h SER 136 N -1.80 0.00 -2.37 1.61 4.64 -1.97 -3.42 113.55 110.23 1rua h SER 136 Ca -0.39 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.34 1rua h SER 136 Cb 1.09 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 1rua h SER 136 CO 0.27 0.82 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.85 1rua s SER 137 N -6.70 3.46 0.02 4.97 0.01 -1.26 -0.11 113.70 114.08 1rua s SER 137 Ca 0.01 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.27 1rua s SER 137 Cb 0.10 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 1rua s SER 137 CO 0.79 0.02 -0.07 0.54 0.41 0.00 0.00 173.24 174.93 1rua s VAL 138 N -2.52 0.50 -0.14 3.43 0.11 0.92 -4.59 120.40 118.11 1rua s VAL 138 Ca 0.29 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1rua s VAL 138 Cb -0.05 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1rua s VAL 138 CO 0.14 -0.12 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.78 1rua s THR 139 N -0.74 3.11 0.37 5.04 2.01 -1.26 -0.71 115.64 123.45 1rua s THR 139 Ca -0.04 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.41 1rua s THR 139 Cb -0.06 -2.31 -0.06 0.00 0.01 0.00 0.00 72.50 70.08 1rua s THR 139 CO 0.00 0.52 0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 1rua s LEU 140 N 0.41 2.93 0.00 4.42 1.02 -0.27 -4.41 118.68 122.78 1rua s LEU 140 Ca -0.10 -1.12 -0.10 0.00 0.02 0.00 0.00 54.13 52.83 1rua s LEU 140 Cb -0.16 -1.20 0.04 0.00 0.02 0.00 0.00 46.19 44.89 1rua s LEU 140 CO 0.05 -0.32 0.68 0.61 0.02 0.00 0.00 176.35 177.39 1rua n GLY 141 N -0.97 1.38 2.97 -3.19 0.00 -0.17 -1.55 105.19 103.66 1rua n GLY 141 Ca -0.04 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 1rua n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rua s LEU 143 N 0.95 3.23 -0.38 0.00 2.96 0.21 -1.79 118.68 123.87 1rua s LEU 143 Ca -0.07 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1rua s LEU 143 Cb -0.09 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.87 1rua s LEU 143 CO -0.05 -0.09 0.19 -0.69 -1.32 0.00 0.00 176.35 174.40 1rua s VAL 144 N 1.46 4.24 -0.04 1.68 1.01 0.24 -0.49 120.40 128.51 1rua s VAL 144 Ca 0.04 -1.11 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1rua s VAL 144 Cb -0.16 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1rua s VAL 144 CO -0.02 -0.31 -0.25 -0.75 0.00 0.00 0.00 175.10 173.78 1rua s LYS 145 N 1.47 2.37 -0.40 2.72 2.20 -0.06 -1.05 119.74 126.99 1rua s LYS 145 Ca 0.01 -0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 54.72 1rua s LYS 145 Cb -0.20 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1rua s LYS 145 CO 0.04 0.47 0.34 0.41 -0.36 0.00 0.00 175.35 176.25 1rua n GLY 146 N 2.70 0.23 3.67 5.54 0.00 0.16 -1.68 105.19 115.82 1rua n GLY 146 Ca -0.17 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1rua n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rua s TYR 147 N -3.12 2.61 -0.28 1.61 1.13 -0.89 -4.48 117.35 113.94 1rua s TYR 147 Ca 0.04 -0.42 -0.23 0.00 -1.41 0.00 0.00 57.07 55.04 1rua s TYR 147 Cb -0.02 -1.56 0.11 0.00 -1.10 0.00 0.00 41.96 39.39 1rua s TYR 147 CO 0.24 0.42 0.91 0.12 -2.51 0.00 0.00 175.55 174.73 1rua s PHE 148 N -2.49 -0.62 0.44 -3.49 5.36 -0.76 0.38 117.98 116.80 1rua s PHE 148 Ca 0.36 1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 57.74 1rua s PHE 148 Cb -0.01 0.36 0.09 0.00 -0.34 0.00 0.00 43.02 43.12 1rua s PHE 148 CO 0.21 -0.30 0.60 -0.35 -1.46 0.00 0.00 175.22 173.91 1rua n PRO 149 N 2.66 -0.12 -1.20 10.12 -0.04 -1.26 -0.11 135.00 145.05 1rua n PRO 149 Ca -0.14 -1.30 -0.31 0.00 -0.04 0.00 0.00 63.50 61.71 1rua n PRO 149 Cb 0.56 -0.50 0.10 0.00 -0.04 0.00 0.00 33.50 33.63 1rua n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rua s GLU 150 N -4.10 2.10 0.56 0.54 0.41 -1.26 -4.72 118.70 112.23 1rua s GLU 150 Ca 0.37 1.24 0.07 0.00 -0.41 0.00 0.00 54.97 56.24 1rua s GLU 150 Cb -0.02 -1.87 0.06 0.00 -1.78 0.00 0.00 34.13 30.52 1rua s GLU 150 CO 0.25 -1.78 0.54 -1.25 -0.49 0.00 0.00 175.26 172.53 1rua s PRO 151 N -4.82 2.25 0.27 0.39 0.04 -1.26 -4.95 135.00 126.93 1rua s PRO 151 Ca 0.62 -1.92 0.11 0.00 0.04 0.00 0.00 61.00 59.85 1rua s PRO 151 Cb -0.18 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 1rua s PRO 151 CO 0.56 -0.73 -0.09 0.14 0.04 0.00 0.00 177.00 176.92 1rua s VAL 152 N -2.76 3.01 -0.01 -0.36 -7.23 -1.26 -4.41 120.40 107.38 1rua s VAL 152 Ca 0.43 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1rua s VAL 152 Cb -0.03 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1rua s VAL 152 CO 0.27 -0.38 -0.03 0.42 -0.31 0.00 0.00 175.10 175.07 1rua s THR 153 N -2.41 3.91 -0.03 5.32 -4.23 -0.58 -4.96 115.64 112.67 1rua s THR 153 Ca 0.31 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 1rua s THR 153 Cb -0.06 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1rua s THR 153 CO 0.18 0.41 0.00 -0.22 -0.54 0.00 0.00 174.62 174.45 1rua s LEU 154 N -1.42 1.11 0.22 4.79 0.20 -1.26 -1.21 118.68 121.11 1rua s LEU 154 Ca 0.18 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.01 1rua s LEU 154 Cb -0.11 -0.22 -0.05 0.00 -0.43 0.00 0.00 46.19 45.38 1rua s LEU 154 CO 0.08 -0.11 -0.02 0.42 -0.29 0.00 0.00 176.35 176.43 1rua s THR 156 N 1.09 1.08 -0.15 3.68 -4.23 -0.56 -4.98 115.64 111.57 1rua s THR 156 Ca -0.09 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 1rua s THR 156 Cb -0.13 -2.27 -0.00 0.00 1.34 0.00 0.00 72.50 71.44 1rua s THR 156 CO -0.02 -0.39 -0.16 0.26 -0.54 0.00 0.00 174.62 173.77 1rua s TRP 157 N -3.39 2.76 -1.42 3.99 0.52 -1.26 -0.71 118.94 119.44 1rua s TRP 157 Ca 0.27 -1.08 -0.06 0.00 0.02 0.00 0.00 56.10 55.25 1rua s TRP 157 Cb 0.05 -1.88 0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1rua s TRP 157 CO 0.07 -0.49 0.80 0.09 0.02 0.00 0.00 176.95 177.45 1rua n ASN 162 N 4.04 -2.67 -1.99 2.95 3.02 0.30 -1.16 115.26 119.77 1rua n ASN 162 Ca -0.19 -0.82 -0.19 0.00 -0.03 0.00 0.00 54.58 53.35 1rua n ASN 162 Cb 0.52 -3.88 -0.03 0.00 -0.61 0.00 0.00 39.78 35.78 1rua n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rua n SER 163 N -2.95 -5.47 0.00 6.41 7.64 -1.26 -1.72 113.62 116.27 1rua n SER 163 Ca -0.15 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1rua n SER 163 Cb 0.61 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 1rua n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rua n GLY 164 N -0.90 0.81 0.10 0.23 0.00 -0.31 -4.90 105.19 100.22 1rua n GLY 164 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1rua n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rua h SER 165 N 0.00 0.00 -3.32 1.61 4.64 -1.28 -3.40 113.55 111.80 1rua h SER 165 Ca 0.00 -0.09 -0.73 0.00 -0.47 0.00 0.00 61.79 60.50 1rua h SER 165 Cb 0.00 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.80 1rua h SER 165 CO 0.00 0.04 -0.34 -0.22 -0.87 0.00 0.00 176.83 175.44 1rua s LEU 166 N -4.58 5.81 0.00 5.97 2.96 -0.96 -4.88 118.68 123.00 1rua s LEU 166 Ca 0.08 -1.96 0.00 0.00 -0.22 0.00 0.00 54.13 52.03 1rua s LEU 166 Cb 0.12 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.77 1rua s LEU 166 CO 0.66 -0.70 0.00 -1.54 -1.32 0.00 0.00 176.35 173.45 1rua n SER 167 N 4.87 1.43 -4.80 3.68 3.41 -1.26 -4.23 113.62 116.72 1rua n SER 167 Ca -0.07 -0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 58.00 1rua n SER 167 Cb 0.41 0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 64.95 1rua n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rua s SER 168 N -0.94 7.11 -0.15 4.04 0.01 -1.26 -3.83 113.70 118.68 1rua s SER 168 Ca 0.00 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1rua s SER 168 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1rua s SER 168 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1rua n GLY 169 N -0.05 0.51 3.81 3.44 0.00 -1.26 -4.69 105.19 106.95 1rua n GLY 169 Ca 0.05 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1rua n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rua s VAL 171 N -2.03 5.20 -0.19 1.61 1.01 -1.25 -1.73 120.40 123.01 1rua s VAL 171 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1rua s VAL 171 Cb 0.00 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1rua s VAL 171 CO 0.00 0.59 -0.06 -1.00 0.00 0.00 0.00 175.10 174.63 1rua s HIS 172 N -0.80 2.05 -0.24 5.22 3.76 -0.18 -4.98 115.29 120.11 1rua s HIS 172 Ca 0.13 -1.39 -0.07 0.00 -0.15 0.00 0.00 55.06 53.58 1rua s HIS 172 Cb -0.12 -1.46 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 1rua s HIS 172 CO 0.03 -0.69 0.07 0.99 -0.85 0.00 0.00 174.74 174.28 1rua s THR 173 N 1.52 4.39 0.26 1.30 2.01 -1.26 -0.39 115.64 123.47 1rua s THR 173 Ca -0.02 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 1rua s THR 173 Cb -0.17 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 1rua s THR 173 CO -0.07 0.36 0.64 -0.36 -0.69 0.00 0.00 174.62 174.50 1rua s PHE 174 N 1.39 3.43 0.39 4.92 0.40 -0.42 -5.01 117.98 123.08 1rua s PHE 174 Ca 0.05 1.07 -0.27 0.00 -0.60 0.00 0.00 56.93 57.18 1rua s PHE 174 Cb -0.15 -2.41 -0.11 0.00 0.51 0.00 0.00 43.02 40.87 1rua s PHE 174 CO 0.04 0.21 1.43 -2.30 0.70 0.00 0.00 175.22 175.29 1rua n PRO 175 N -0.12 2.46 -2.03 0.24 -0.02 -1.26 -4.38 135.00 129.89 1rua n PRO 175 Ca 0.01 0.86 -0.36 0.00 -2.02 0.00 0.00 63.50 61.99 1rua n PRO 175 Cb 0.53 -2.59 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1rua n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rua s ALA 176 N -1.13 2.65 -0.09 3.55 0.00 -1.26 -4.81 121.76 120.66 1rua s ALA 176 Ca 0.56 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1rua s ALA 176 Cb -0.49 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 1rua s ALA 176 CO 0.62 -1.10 -0.10 0.08 0.00 0.00 0.00 175.76 175.26 1rua s VAL 177 N -1.55 3.43 -0.16 0.00 1.01 0.55 -4.93 120.40 118.75 1rua s VAL 177 Ca 0.74 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 1rua s VAL 177 Cb -0.31 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1rua s VAL 177 CO 0.35 0.56 0.22 -0.22 0.00 0.00 0.00 175.10 176.01 1rua s LEU 178 N -0.31 4.26 -0.12 3.92 2.96 -1.26 -1.39 118.68 126.73 1rua s LEU 178 Ca 0.04 0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.31 1rua s LEU 178 Cb -0.13 -2.24 0.05 0.00 0.50 0.00 0.00 46.19 44.38 1rua s LEU 178 CO 0.02 0.18 0.26 -1.58 -1.32 0.00 0.00 176.35 173.92 1rua s GLN 179 N 0.19 0.20 -1.43 1.98 0.74 0.02 -4.92 119.66 116.44 1rua s GLN 179 Ca 0.13 0.62 -0.09 0.00 0.05 0.00 0.00 55.36 56.08 1rua s GLN 179 Cb -0.12 -0.08 0.05 0.00 1.10 0.00 0.00 33.01 33.95 1rua s GLN 179 CO 0.02 -0.20 0.94 0.43 -0.55 0.00 0.00 175.29 175.93 1rua n SER 180 N 4.59 -3.94 -1.60 6.67 7.64 -1.26 -2.13 113.62 123.59 1rua n SER 180 Ca -0.19 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 58.76 1rua n SER 180 Cb 0.52 -4.17 -0.06 0.00 -1.01 0.00 0.00 64.21 59.49 1rua n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1rua n ASP 183 N -2.94 -5.21 -4.00 6.43 8.00 -1.26 -4.99 116.55 112.58 1rua n ASP 183 Ca -0.07 0.30 -0.16 0.00 0.71 0.00 0.00 54.79 55.57 1rua n ASP 183 Cb 0.58 -4.29 -0.14 0.00 -0.02 0.00 0.00 41.12 37.25 1rua n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rua s LEU 184 N -4.46 2.06 0.10 0.64 1.43 -0.91 -4.69 118.68 112.85 1rua s LEU 184 Ca 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 1rua s LEU 184 Cb 0.00 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 1rua s LEU 184 CO 0.00 0.03 0.26 -0.31 0.23 0.00 0.00 176.35 176.56 1rua s TYR 185 N -0.39 3.50 -0.02 0.29 1.51 0.16 -0.80 117.35 121.59 1rua s TYR 185 Ca 0.00 0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1rua s TYR 185 Cb -0.04 -1.77 -0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1rua s TYR 185 CO -0.00 0.54 -0.11 0.99 -1.11 0.00 0.00 175.55 175.86 1rua s THR 186 N -1.61 0.92 0.03 -0.71 2.01 -0.49 -0.66 115.64 115.13 1rua s THR 186 Ca 0.36 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1rua s THR 186 Cb -0.12 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1rua s THR 186 CO 0.28 0.28 -0.07 -0.22 -0.69 0.00 0.00 174.62 174.20 1rua s LEU 187 N 0.06 2.19 0.18 4.42 0.20 -0.22 -0.33 118.68 125.19 1rua s LEU 187 Ca -0.01 -0.43 0.02 0.00 0.69 0.00 0.00 54.13 54.40 1rua s LEU 187 Cb -0.08 -0.17 -0.05 0.00 -0.43 0.00 0.00 46.19 45.46 1rua s LEU 187 CO 0.00 -0.14 -0.00 -0.94 -0.29 0.00 0.00 176.35 174.98 1rua s SER 188 N -1.21 1.35 -0.07 3.68 1.04 -1.26 0.83 113.70 118.06 1rua s SER 188 Ca -0.07 -1.18 -0.06 0.00 0.48 0.00 0.00 55.95 55.11 1rua s SER 188 Cb -0.08 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1rua s SER 188 CO 0.00 -0.55 0.19 -0.55 0.98 0.00 0.00 173.24 173.30 1rua s SER 189 N -3.20 -0.19 0.14 7.02 0.15 -0.74 -1.30 113.70 115.58 1rua s SER 189 Ca 0.25 0.37 0.09 0.00 0.70 0.00 0.00 55.95 57.36 1rua s SER 189 Cb 0.06 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1rua s SER 189 CO 0.05 -0.07 -0.17 -0.94 1.20 0.00 0.00 173.24 173.31 1rua s SER 190 N 0.09 3.89 -0.01 5.45 1.04 0.48 -1.22 113.70 123.41 1rua s SER 190 Ca -0.00 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1rua s SER 190 Cb -0.01 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1rua s SER 190 CO 0.00 0.15 -0.04 0.54 0.98 0.00 0.00 173.24 174.87 1rua s VAL 191 N -1.36 0.39 -0.12 5.02 0.11 -0.60 -1.01 120.40 122.83 1rua s VAL 191 Ca 0.20 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 1rua s VAL 191 Cb -0.10 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1rua s VAL 191 CO 0.11 0.14 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.91 1rua s THR 192 N 0.24 2.14 0.22 5.04 2.01 -0.71 -1.12 115.64 123.47 1rua s THR 192 Ca -0.02 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1rua s THR 192 Cb -0.06 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1rua s THR 192 CO -0.00 0.55 0.04 0.68 -0.69 0.00 0.00 174.62 175.20 1rua s VAL 193 N 0.52 0.67 0.11 3.82 -7.23 0.11 -4.66 120.40 113.73 1rua s VAL 193 Ca -0.14 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.72 1rua s VAL 193 Cb -0.17 -2.39 -0.11 0.00 0.56 0.00 0.00 36.38 34.27 1rua s VAL 193 CO 0.05 -0.24 1.84 0.41 -0.31 0.00 0.00 175.10 176.85 1rua n THR 194 N -0.37 0.39 -0.11 5.32 -1.04 -1.26 -0.06 114.28 117.15 1rua n THR 194 Ca -0.03 -0.07 0.01 0.00 -2.04 0.00 0.00 64.05 61.92 1rua n THR 194 Cb 0.65 -2.09 0.29 0.00 -1.82 0.00 0.00 70.33 67.36 1rua n THR 194 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1rua h SER 195 N 8.60 0.69 0.32 8.00 0.87 -0.77 0.64 113.55 131.90 1rua h SER 195 Ca -0.47 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1rua h SER 195 Cb 1.23 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1rua h SER 195 CO 0.94 0.56 0.00 -1.54 -0.53 0.00 0.00 176.83 176.26 1rua n SER 196 N -4.39 0.58 -0.20 6.23 3.41 -1.26 -1.51 113.62 116.48 1rua n SER 196 Ca 0.05 0.71 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 1rua n SER 196 Cb 0.10 -0.81 0.58 0.00 -0.26 0.00 0.00 64.21 63.82 1rua n SER 196 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1rua n THR 198 N -2.21 0.00 -4.83 6.66 -2.24 0.22 -4.74 114.28 107.14 1rua n THR 198 Ca 0.00 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 1rua n THR 198 Cb 0.12 0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 68.27 1rua n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1rua s TRP 199 N -2.35 1.69 -0.58 4.78 -0.00 -0.57 -0.23 118.94 121.68 1rua s TRP 199 Ca 0.31 -0.48 0.09 0.00 -0.00 0.00 0.00 56.10 56.02 1rua s TRP 199 Cb 0.20 -1.14 0.52 0.00 -0.00 0.00 0.00 33.47 33.05 1rua s TRP 199 CO 0.45 -0.16 1.30 -0.35 -0.00 0.00 0.00 176.95 178.19 1rua n PRO 200 N 3.13 3.45 -0.29 5.86 -0.04 -1.26 -4.95 135.00 140.90 1rua n PRO 200 Ca -0.18 -2.00 -0.05 0.00 -0.04 0.00 0.00 63.50 61.23 1rua n PRO 200 Cb 0.53 -1.97 0.07 0.00 -0.04 0.00 0.00 33.50 32.09 1rua n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1rua h SER 202 N 2.56 0.97 -3.53 3.54 0.02 -1.80 -3.34 113.55 111.98 1rua h SER 202 Ca 0.00 -0.08 -0.71 0.00 -0.84 0.00 0.00 61.79 60.16 1rua h SER 202 Cb 1.42 -0.25 -0.21 0.00 0.14 0.00 0.00 62.40 63.50 1rua h SER 202 CO 0.30 0.77 -0.45 -1.10 -1.14 0.00 0.00 176.83 175.22 1rua s GLN 203 N -5.92 2.99 0.77 3.45 -0.21 0.67 -5.07 119.66 116.34 1rua s GLN 203 Ca -0.13 -1.00 -0.12 0.00 0.02 0.00 0.00 55.36 54.13 1rua s GLN 203 Cb 0.15 -3.93 0.06 0.00 1.00 0.00 0.00 33.01 30.30 1rua s GLN 203 CO 0.80 -0.72 1.12 -1.54 -2.12 0.00 0.00 175.29 172.83 1rua s SER 204 N 1.66 4.30 -0.07 5.90 1.04 -1.26 -4.69 113.70 120.58 1rua s SER 204 Ca 0.05 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.46 1rua s SER 204 Cb -0.19 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.41 1rua s SER 204 CO 0.09 -2.18 -0.10 -0.63 0.98 0.00 0.00 173.24 171.40 1rua s ILE 205 N -2.67 1.05 -0.04 -1.02 1.01 -1.26 -4.98 121.20 113.29 1rua s ILE 205 Ca 0.64 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1rua s ILE 205 Cb -0.20 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1rua s ILE 205 CO 0.53 0.34 -0.10 -0.89 0.00 0.00 0.00 174.94 174.82 1rua s THR 206 N 0.91 0.89 -0.27 2.92 2.01 -1.26 -1.20 115.64 119.64 1rua s THR 206 Ca -0.10 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.28 1rua s THR 206 Cb -0.15 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1rua s THR 206 CO 0.01 0.28 0.74 0.00 -0.69 0.00 0.00 174.62 174.96 1rua s ASN 209 N 1.50 5.53 -0.05 0.00 -0.87 0.11 -0.34 114.94 120.82 1rua s ASN 209 Ca 0.31 -1.22 0.04 0.00 -1.57 0.00 0.00 52.86 50.42 1rua s ASN 209 Cb -0.15 -1.95 -0.02 0.00 -0.02 0.00 0.00 41.25 39.11 1rua s ASN 209 CO 0.10 -0.41 -0.18 -0.69 -2.57 0.00 0.00 177.10 173.35 1rua s VAL 210 N 1.45 2.75 -0.00 1.60 1.01 0.18 -1.49 120.40 125.89 1rua s VAL 210 Ca 0.01 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.20 1rua s VAL 210 Cb -0.20 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1rua s VAL 210 CO 0.04 0.58 -0.15 0.00 0.00 0.00 0.00 175.10 175.57 1rua s ALA 211 N -0.54 1.21 -0.47 5.51 0.00 -0.35 -1.33 121.76 125.80 1rua s ALA 211 Ca 0.07 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1rua s ALA 211 Cb -0.11 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.85 1rua s ALA 211 CO 0.01 0.29 0.23 -1.58 0.00 0.00 0.00 175.76 174.71 1rua s HIS 212 N -0.44 2.62 0.41 0.00 2.46 0.24 -1.52 115.29 119.06 1rua s HIS 212 Ca 0.05 -2.78 0.10 0.00 0.47 0.00 0.00 55.06 52.90 1rua s HIS 212 Cb -0.06 -2.37 0.92 0.00 -0.13 0.00 0.00 32.58 30.95 1rua s HIS 212 CO -0.00 -0.77 1.99 -1.35 -2.47 0.00 0.00 174.74 172.14 1rua h PRO 213 N 6.71 0.51 -0.38 2.88 0.11 -1.81 -1.73 132.00 138.27 1rua h PRO 213 Ca -0.05 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.07 1rua h PRO 213 Cb 0.92 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1rua h PRO 213 CO 0.58 0.33 0.26 0.00 -0.21 0.00 0.00 178.00 178.96 1rua h ALA 214 N 1.69 1.89 -0.37 -0.75 0.00 -1.92 -1.41 119.26 118.39 1rua h ALA 214 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rua h ALA 214 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1rua h ALA 214 CO -0.07 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1rua n SER 215 N -4.48 3.11 -2.84 0.00 3.41 -0.82 -4.97 113.62 107.03 1rua n SER 215 Ca 0.04 -1.91 -0.22 0.00 -0.26 0.00 0.00 58.87 56.52 1rua n SER 215 Cb 0.17 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1rua n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rua n SER 216 N 1.05 -6.11 -4.46 4.04 7.64 -0.53 -4.97 113.62 110.27 1rua n SER 216 Ca 0.15 -0.22 -0.32 0.00 1.01 0.00 0.00 58.87 59.50 1rua n SER 216 Cb 0.49 -4.97 -0.13 0.00 -1.01 0.00 0.00 64.21 58.59 1rua n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rua s THR 217 N -3.15 2.95 0.01 0.44 2.01 -1.05 -5.00 115.64 111.85 1rua s THR 217 Ca 0.22 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.39 1rua s THR 217 Cb -0.10 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 1rua s THR 217 CO 0.28 0.52 -0.08 -0.54 -0.69 0.00 0.00 174.62 174.10 1rua s LYS 218 N -0.92 0.63 -0.04 4.92 1.02 -1.26 -0.59 119.74 123.50 1rua s LYS 218 Ca 0.12 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.72 1rua s LYS 218 Cb -0.11 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.63 1rua s LYS 218 CO 0.02 0.15 -0.11 0.08 -0.92 0.00 0.00 175.35 174.57 1rua s VAL 219 N -0.49 0.95 -0.39 3.17 1.01 -0.44 -5.01 120.40 119.20 1rua s VAL 219 Ca 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1rua s VAL 219 Cb -0.05 -0.85 0.11 0.00 0.00 0.00 0.00 36.38 35.59 1rua s VAL 219 CO 0.00 0.30 0.13 -1.81 0.00 0.00 0.00 175.10 173.72 1rua s ASP 220 N 0.31 4.41 -0.38 3.32 1.01 -1.26 -0.65 116.67 123.44 1rua s ASP 220 Ca -0.06 -2.35 -0.09 0.00 0.71 0.00 0.00 52.55 50.76 1rua s ASP 220 Cb -0.11 -1.44 0.05 0.00 1.01 0.00 0.00 42.92 42.42 1rua s ASP 220 CO 0.01 -0.34 0.19 -0.75 0.21 0.00 0.00 175.17 174.50 1rua s LYS 221 N 0.65 2.69 0.12 8.23 2.47 0.54 -4.91 119.74 129.52 1rua s LYS 221 Ca 0.13 -1.22 -0.31 0.00 -1.56 0.00 0.00 55.97 53.01 1rua s LYS 221 Cb -0.21 -3.66 -0.07 0.00 -1.46 0.00 0.00 37.83 32.43 1rua s LYS 221 CO -0.08 -0.76 1.31 0.21 0.16 0.00 0.00 175.35 176.19 1rua s LYS 222 N 1.47 4.37 -0.27 4.03 2.20 -1.26 -1.24 119.74 129.04 1rua s LYS 222 Ca 0.01 1.97 -0.24 0.00 -0.36 0.00 0.00 55.97 57.35 1rua s LYS 222 Cb -0.20 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.85 1rua s LYS 222 CO 0.04 -0.33 0.83 0.42 -0.36 0.00 0.00 175.35 175.95 1rua s ILE 223 N 0.85 4.79 -0.04 5.43 -1.09 -0.34 -4.98 121.20 125.82 1rua s ILE 223 Ca 0.61 1.43 -0.10 0.00 -2.23 0.00 0.00 60.65 60.36 1rua s ILE 223 Cb -0.34 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.33 1rua s ILE 223 CO 0.32 -0.18 0.27 -1.61 -1.23 0.00 0.00 174.94 172.51 1rua s GLU 226 N 2.96 3.65 0.70 2.79 0.41 -1.26 -4.70 118.70 123.24 1rua s GLU 226 Ca 0.35 0.08 -0.15 0.00 -0.41 0.00 0.00 54.97 54.84 1rua s GLU 226 Cb -0.15 -3.16 0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1rua s GLU 226 CO 0.10 0.71 1.17 -1.25 -0.49 0.00 0.00 175.26 175.50 1rua s PRO 227 N -1.27 2.43 0.70 0.39 0.04 -1.26 -4.76 135.00 131.27 1rua s PRO 227 Ca 0.22 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.74 1rua s PRO 227 Cb -0.14 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1rua s PRO 227 CO 0.11 -1.59 1.12 1.03 0.04 0.00 0.00 177.00 177.71 1rua s ARG 228 N -3.94 2.57 0.13 4.56 0.52 -1.26 -4.78 118.95 116.74 1rua s ARG 228 Ca 0.72 1.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 1rua s ARG 228 Cb -0.26 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1rua s ARG 228 CO 0.43 -1.43 0.00 0.41 0.02 0.00 0.00 175.30 174.73 1rua n GLY 229 N -0.53 -2.99 3.76 -3.53 0.00 -1.26 -4.93 105.19 95.72 1rua n GLY 229 Ca 0.10 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1rua n GLY 229 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rua n PRO 230 N -0.22 2.16 0.00 1.61 -0.02 -1.26 -5.19 135.00 132.07 1rua n PRO 230 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1rua n PRO 230 Cb 0.00 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 1rua n PRO 230 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73