#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rul s VAL 2 N 0.00 4.10 0.02 1.55 0.11 -1.26 -4.44 120.40 120.49 1rul s VAL 2 Ca 0.00 1.88 0.04 0.00 -2.93 0.00 0.00 61.98 60.97 1rul s VAL 2 Cb 0.00 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 1rul s VAL 2 CO 0.00 0.36 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.91 1rul s GLN 3 N -0.56 0.84 -0.01 1.54 -0.21 -0.10 -4.97 119.66 116.19 1rul s GLN 3 Ca 0.46 -0.63 0.07 0.00 0.02 0.00 0.00 55.36 55.29 1rul s GLN 3 Cb -0.27 -0.81 -0.02 0.00 1.00 0.00 0.00 33.01 32.91 1rul s GLN 3 CO 0.33 0.20 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.96 1rul s LEU 4 N -0.89 2.06 0.00 2.90 1.02 -1.26 -1.23 118.68 121.27 1rul s LEU 4 Ca 0.01 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 53.72 1rul s LEU 4 Cb -0.07 -1.21 0.00 0.00 0.02 0.00 0.00 46.19 44.93 1rul s LEU 4 CO 0.01 0.28 0.00 1.67 0.02 0.00 0.00 176.35 178.33 1rul n GLN 5 N 2.41 0.04 0.00 1.70 7.27 -0.67 -4.17 117.38 123.97 1rul n GLN 5 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 1rul n GLN 5 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 1rul n GLN 5 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1rul n SER 7 N -2.60 0.00 0.00 1.69 3.41 0.68 -1.44 113.62 115.36 1rul n SER 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1rul n SER 7 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1rul n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rul n GLY 8 N -0.37 3.28 3.76 5.00 0.00 -1.26 0.01 105.19 115.61 1rul n GLY 8 Ca 0.00 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1rul n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rul s PRO 9 N -2.26 4.22 0.00 1.61 0.02 -1.26 -4.92 135.00 132.42 1rul s PRO 9 Ca 0.00 2.39 0.26 0.00 0.02 0.00 0.00 61.00 63.67 1rul s PRO 9 Cb 0.00 -3.06 0.61 0.00 0.02 0.00 0.00 34.50 32.07 1rul s PRO 9 CO 0.00 -0.45 1.48 0.41 -0.33 0.00 0.00 177.00 178.12 1rul n GLY 10 N 1.67 0.13 2.72 0.52 0.00 -1.26 -4.83 105.19 104.14 1rul n GLY 10 Ca 0.05 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 1rul n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rul s LEU 11 N -2.18 0.40 -0.01 0.99 2.96 -1.26 -0.50 118.68 119.09 1rul s LEU 11 Ca 0.30 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1rul s LEU 11 Cb 0.20 -0.25 -0.02 0.00 0.50 0.00 0.00 46.19 46.63 1rul s LEU 11 CO 0.40 -0.22 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.32 1rul s VAL 12 N 1.98 1.60 0.37 1.68 1.01 0.50 -4.97 120.40 122.57 1rul s VAL 12 Ca 0.03 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1rul s VAL 12 Cb -0.12 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.82 1rul s VAL 12 CO -0.04 0.41 0.98 -0.54 0.00 0.00 0.00 175.10 175.91 1rul s LYS 13 N -0.58 4.37 0.24 2.72 -0.14 -1.26 -1.27 119.74 123.82 1rul s LYS 13 Ca 0.08 1.34 -0.30 0.00 -1.36 0.00 0.00 55.97 55.72 1rul s LYS 13 Cb -0.08 -2.57 -0.15 0.00 -1.68 0.00 0.00 37.83 33.35 1rul s LYS 13 CO -0.00 0.07 1.11 -2.30 -0.76 0.00 0.00 175.35 173.47 1rul n PRO 14 N 0.08 1.34 -0.83 -1.68 -0.02 -1.26 -1.87 135.00 130.77 1rul n PRO 14 Ca 0.04 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1rul n PRO 14 Cb 0.51 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1rul n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1rul n SER 15 N 1.63 0.00 -0.96 2.55 3.41 0.53 -4.94 113.62 115.83 1rul n SER 15 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1rul n SER 15 Cb 0.29 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1rul n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rul n GLN 16 N -2.00 2.65 -4.75 4.33 1.13 -0.78 -4.15 117.38 113.82 1rul n GLN 16 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1rul n GLN 16 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 1rul n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1rul s SER 17 N -1.00 2.83 0.05 1.08 0.01 -1.26 -2.08 113.70 113.33 1rul s SER 17 Ca 0.00 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 1rul s SER 17 Cb 0.00 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.93 1rul s SER 17 CO 0.00 0.21 0.69 -0.22 0.41 0.00 0.00 173.24 174.33 1rul s LEU 18 N -1.26 4.47 -0.20 2.44 0.20 0.30 -4.91 118.68 119.72 1rul s LEU 18 Ca 0.10 1.37 -0.03 0.00 0.69 0.00 0.00 54.13 56.26 1rul s LEU 18 Cb -0.09 -3.11 0.06 0.00 -0.43 0.00 0.00 46.19 42.61 1rul s LEU 18 CO 0.02 0.09 0.03 -0.55 -0.29 0.00 0.00 176.35 175.65 1rul s SER 19 N -0.35 2.99 0.23 3.68 0.15 -1.26 -0.18 113.70 118.96 1rul s SER 19 Ca 0.35 -0.85 0.10 0.00 0.70 0.00 0.00 55.95 56.25 1rul s SER 19 Cb -0.20 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.42 1rul s SER 19 CO 0.21 -0.30 -0.19 -0.76 1.20 0.00 0.00 173.24 173.40 1rul s LEU 20 N 1.82 2.53 -0.02 3.45 1.43 0.63 -4.13 118.68 124.39 1rul s LEU 20 Ca -0.01 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 1rul s LEU 20 Cb -0.17 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1rul s LEU 20 CO -0.08 -0.02 -0.17 -0.89 0.23 0.00 0.00 176.35 175.42 1rul s THR 21 N -2.42 1.40 -0.20 5.49 2.01 0.10 -1.66 115.64 120.35 1rul s THR 21 Ca 0.24 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1rul s THR 21 Cb -0.04 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1rul s THR 21 CO 0.10 0.40 -0.13 0.00 -0.69 0.00 0.00 174.62 174.30 1rul s THR 23 N 1.35 5.33 -0.17 0.00 2.01 -0.52 -1.55 115.64 122.08 1rul s THR 23 Ca 0.05 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.19 1rul s THR 23 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1rul s THR 23 CO -0.09 0.29 0.06 -0.69 -0.69 0.00 0.00 174.62 173.51 1rul s VAL 24 N 1.41 4.83 0.16 3.82 1.01 -1.00 -1.66 120.40 128.96 1rul s VAL 24 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1rul s VAL 24 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1rul s VAL 24 CO 0.08 0.49 -0.13 0.42 0.00 0.00 0.00 175.10 175.95 1rul s THR 25 N 0.12 1.45 0.00 3.92 -4.23 -0.37 -4.74 115.64 111.79 1rul s THR 25 Ca 0.05 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1rul s THR 25 Cb -0.12 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1rul s THR 25 CO 0.01 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 1rul n GLY 26 N 0.05 0.88 3.60 3.99 0.00 -1.26 -0.93 105.19 111.52 1rul n GLY 26 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1rul n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rul s TYR 27 N -3.49 -0.58 0.07 1.61 6.14 -1.26 -4.28 117.35 115.56 1rul s TYR 27 Ca 0.00 1.26 -0.26 0.00 0.64 0.00 0.00 57.07 58.71 1rul s TYR 27 Cb 0.00 0.36 -0.06 0.00 0.42 0.00 0.00 41.96 42.69 1rul s TYR 27 CO 0.00 -0.37 0.81 0.45 0.64 0.00 0.00 175.55 177.07 1rul s SER 28 N -0.29 7.29 0.00 4.32 0.15 -1.26 -4.93 113.70 118.98 1rul s SER 28 Ca -0.02 1.54 0.23 0.00 0.70 0.00 0.00 55.95 58.41 1rul s SER 28 Cb -0.03 -2.50 1.23 0.00 -1.71 0.00 0.00 66.02 63.01 1rul s SER 28 CO 0.01 0.02 1.75 2.30 1.20 0.00 0.00 173.24 178.52 1rul n ILE 29 N 2.65 0.20 0.07 6.45 -5.35 -1.26 -2.22 119.36 119.91 1rul n ILE 29 Ca -0.02 0.05 0.08 0.00 -0.27 0.00 0.00 62.75 62.59 1rul n ILE 29 Cb 0.50 -0.68 0.26 0.00 -1.74 0.00 0.00 39.64 37.98 1rul n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1rul n THR 30 N -1.20 1.12 -4.87 7.28 -2.24 -1.26 -4.26 114.28 108.85 1rul n THR 30 Ca 0.13 -0.82 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 1rul n THR 30 Cb 0.15 0.16 -0.17 0.00 -2.10 0.00 0.00 70.33 68.37 1rul n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rul s SER 31 N -0.87 2.34 0.00 3.42 0.01 -0.94 -4.71 113.70 112.95 1rul s SER 31 Ca 0.38 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1rul s SER 31 Cb 0.22 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1rul s SER 31 CO 0.21 0.10 0.00 0.47 0.41 0.00 0.00 173.24 174.43 1rul n ASP 32 N 3.62 0.00 -4.97 2.44 8.00 -1.26 -4.86 116.55 119.52 1rul n ASP 32 Ca -0.21 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.08 1rul n ASP 32 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1rul n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rul s PHE 33 N 0.00 3.27 -0.23 1.24 0.40 -1.26 -1.87 117.98 119.53 1rul s PHE 33 Ca 0.00 -0.02 -0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1rul s PHE 33 Cb 0.00 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 1rul s PHE 33 CO 0.00 0.07 0.12 0.00 0.70 0.00 0.00 175.22 176.11 1rul s ALA 34 N -2.20 3.47 -0.48 5.36 0.00 -0.17 -0.29 121.76 127.45 1rul s ALA 34 Ca 0.42 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1rul s ALA 34 Cb -0.09 -2.20 0.07 0.00 0.00 0.00 0.00 23.12 20.90 1rul s ALA 34 CO 0.32 -0.19 0.43 -1.58 0.00 0.00 0.00 175.76 174.75 1rul s TRP 35 N 1.06 3.21 0.10 0.00 0.52 0.14 -1.42 118.94 122.54 1rul s TRP 35 Ca 0.06 -0.85 0.03 0.00 0.02 0.00 0.00 56.10 55.35 1rul s TRP 35 Cb -0.14 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 1rul s TRP 35 CO 0.04 -0.83 0.14 -0.80 0.02 0.00 0.00 176.95 175.52 1rul s ASN 35 N 2.60 5.79 -0.17 2.95 0.01 0.05 -0.86 114.94 125.31 1rul s ASN 35 Ca 0.06 0.05 -0.04 0.00 -0.71 0.00 0.00 52.86 52.22 1rul s ASN 35 Cb -0.23 -1.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.78 1rul s ASN 35 CO 0.08 0.14 -0.04 0.26 -1.51 0.00 0.00 177.10 176.03 1rul s TRP 36 N -1.51 3.00 -0.00 2.20 0.52 -0.20 0.18 118.94 123.12 1rul s TRP 36 Ca 0.31 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 56.05 1rul s TRP 36 Cb -0.12 -1.98 -0.01 0.00 -1.15 0.00 0.00 33.47 30.21 1rul s TRP 36 CO 0.24 -0.13 -0.09 0.42 0.02 0.00 0.00 176.95 177.42 1rul s ILE 37 N 0.55 0.67 0.08 2.03 1.01 0.54 -0.47 121.20 125.61 1rul s ILE 37 Ca -0.03 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.26 1rul s ILE 37 Cb -0.14 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 1rul s ILE 37 CO 0.03 0.15 -0.18 0.00 0.00 0.00 0.00 174.94 174.94 1rul s ARG 38 N -0.31 1.03 -0.15 2.79 1.70 -0.49 0.32 118.95 123.84 1rul s ARG 38 Ca 0.03 -1.03 -0.01 0.00 -0.47 0.00 0.00 55.73 54.25 1rul s ARG 38 Cb -0.04 -1.17 -0.01 0.00 -0.57 0.00 0.00 34.95 33.16 1rul s ARG 38 CO -0.00 0.27 -0.12 -1.14 -1.08 0.00 0.00 175.30 173.23 1rul s GLN 39 N -1.70 3.36 0.32 3.89 0.74 0.10 -0.49 119.66 125.88 1rul s GLN 39 Ca 0.03 -0.68 -0.12 0.00 0.05 0.00 0.00 55.36 54.64 1rul s GLN 39 Cb -0.10 -2.70 -0.08 0.00 1.10 0.00 0.00 33.01 31.24 1rul s GLN 39 CO 0.03 0.11 0.68 -0.06 -0.55 0.00 0.00 175.29 175.51 1rul s PHE 40 N 0.62 3.42 0.35 1.67 0.08 0.29 -1.89 117.98 122.51 1rul s PHE 40 Ca -0.07 1.04 0.13 0.00 0.12 0.00 0.00 56.93 58.15 1rul s PHE 40 Cb -0.15 -2.41 1.11 0.00 -0.57 0.00 0.00 43.02 41.00 1rul s PHE 40 CO 0.03 0.09 1.58 -1.35 -0.10 0.00 0.00 175.22 175.47 1rul h PRO 41 N 2.01 0.01 -0.65 0.24 0.11 -1.89 1.59 132.00 133.43 1rul h PRO 41 Ca -0.47 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.76 1rul h PRO 41 Cb 1.18 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1rul h PRO 41 CO 0.66 0.01 0.16 0.78 -0.21 0.00 0.00 178.00 179.40 1rul h GLY 42 N 0.01 0.87 0.00 -0.55 0.00 -1.98 -3.45 103.07 97.96 1rul h GLY 42 Ca 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1rul h GLY 42 CO -0.83 -0.12 0.00 0.70 0.00 0.00 0.00 176.54 176.29 1rul n ASN 43 N -5.11 0.00 -4.74 0.19 3.02 0.54 -5.11 115.26 104.05 1rul n ASN 43 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 1rul n ASN 43 Cb 0.36 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1rul n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1rul s LYS 44 N -0.02 4.25 -0.15 3.52 2.20 -1.23 -4.67 119.74 123.65 1rul s LYS 44 Ca 0.00 2.31 -0.11 0.00 -0.36 0.00 0.00 55.97 57.81 1rul s LYS 44 Cb 0.00 -3.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1rul s LYS 44 CO 0.00 -0.47 0.22 -0.51 -0.36 0.00 0.00 175.35 174.23 1rul s LEU 45 N 0.09 4.29 -0.09 5.43 1.43 -1.26 -0.55 118.68 128.02 1rul s LEU 45 Ca 0.62 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 1rul s LEU 45 Cb -0.42 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1rul s LEU 45 CO 0.40 0.22 -0.17 -0.70 0.23 0.00 0.00 176.35 176.32 1rul s GLU 46 N -0.05 2.34 0.01 1.70 2.12 0.36 -4.98 118.70 120.20 1rul s GLU 46 Ca 0.14 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 1rul s GLU 46 Cb -0.12 -1.87 -0.05 0.00 0.26 0.00 0.00 34.13 32.35 1rul s GLU 46 CO 0.03 0.06 1.19 -0.46 -0.54 0.00 0.00 175.26 175.54 1rul s TRP 47 N 0.64 3.34 -0.23 5.30 -0.00 -1.26 -1.40 118.94 125.32 1rul s TRP 47 Ca -0.14 1.28 -0.04 0.00 -0.00 0.00 0.00 56.10 57.21 1rul s TRP 47 Cb -0.16 -3.41 -0.18 0.00 -0.00 0.00 0.00 33.47 29.72 1rul s TRP 47 CO 0.04 -1.23 -0.10 -1.33 -0.00 0.00 0.00 176.95 174.32 1rul n MET 48 N 4.46 0.66 0.00 5.86 2.81 0.38 -4.46 117.12 126.83 1rul n MET 48 Ca 0.10 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 1rul n MET 48 Cb 0.47 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1rul n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rul n GLY 49 N 2.00 -0.56 3.14 3.03 0.00 -1.11 0.15 105.19 111.84 1rul n GLY 49 Ca -0.44 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.29 1rul n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rul s TYR 50 N -2.00 0.67 -0.08 1.61 -0.85 -0.07 -1.04 117.35 115.60 1rul s TYR 50 Ca 0.00 -1.11 0.03 0.00 -0.52 0.00 0.00 57.07 55.46 1rul s TYR 50 Cb 0.00 -0.40 0.01 0.00 0.38 0.00 0.00 41.96 41.95 1rul s TYR 50 CO 0.00 -0.48 -0.16 -1.50 -1.52 0.00 0.00 175.55 171.89 1rul s ILE 51 N -3.99 1.43 0.43 -3.49 2.07 -0.04 -2.16 121.20 115.45 1rul s ILE 51 Ca 0.17 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.77 1rul s ILE 51 Cb 0.07 -1.27 0.08 0.00 0.13 0.00 0.00 42.46 41.47 1rul s ILE 51 CO -0.03 0.42 0.59 -0.46 -1.91 0.00 0.00 174.94 173.55 1rul n ASN 52 N 3.76 0.93 0.28 4.50 6.94 0.21 -0.69 115.26 131.18 1rul n ASN 52 Ca -0.21 -1.75 0.13 0.00 -0.02 0.00 0.00 54.58 52.73 1rul n ASN 52 Cb 0.52 -0.37 0.82 0.00 -2.36 0.00 0.00 39.78 38.39 1rul n ASN 52 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1rul h TYR 53 N -0.41 0.00 -0.12 -2.53 -0.00 -0.83 -0.61 116.97 112.48 1rul h TYR 53 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.53 1rul h TYR 53 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.49 1rul h TYR 53 CO 0.00 0.05 0.00 -1.13 -0.00 0.00 0.00 178.16 177.08 1rul n SER 54 N -3.83 2.00 0.00 0.10 3.41 -1.26 -4.36 113.62 109.67 1rul n SER 54 Ca -0.03 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 1rul n SER 54 Cb 0.14 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1rul n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rul n GLY 55 N 1.22 0.17 3.73 5.00 0.00 -0.24 -5.05 105.19 110.03 1rul n GLY 55 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1rul n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rul s PHE 56 N -2.05 3.50 0.38 1.61 5.36 -1.26 -4.70 117.98 120.83 1rul s PHE 56 Ca 0.00 1.48 0.08 0.00 -0.96 0.00 0.00 56.93 57.53 1rul s PHE 56 Cb 0.00 -3.36 -0.07 0.00 -0.34 0.00 0.00 43.02 39.25 1rul s PHE 56 CO 0.00 -0.94 0.00 0.95 -1.46 0.00 0.00 175.22 173.77 1rul s THR 57 N 0.08 2.17 -0.19 0.12 -4.23 -1.26 -0.62 115.64 111.71 1rul s THR 57 Ca 0.52 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.75 1rul s THR 57 Cb -0.30 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 70.72 1rul s THR 57 CO 0.34 -0.08 0.69 -0.55 -0.54 0.00 0.00 174.62 174.49 1rul s SER 58 N -3.71 -0.70 0.13 3.99 0.15 -0.92 -4.99 113.70 107.65 1rul s SER 58 Ca 0.35 1.16 -0.04 0.00 0.70 0.00 0.00 55.95 58.13 1rul s SER 58 Cb 0.06 1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 65.46 1rul s SER 58 CO 0.18 -0.37 0.12 -1.38 1.20 0.00 0.00 173.24 172.99 1rul s HIS 59 N -0.18 0.63 0.14 3.44 -3.43 -1.26 -0.90 115.29 113.74 1rul s HIS 59 Ca -0.04 -1.03 -0.31 0.00 -0.80 0.00 0.00 55.06 52.87 1rul s HIS 59 Cb -0.03 -0.32 -0.10 0.00 -1.43 0.00 0.00 32.58 30.70 1rul s HIS 59 CO 0.04 -0.56 1.60 1.21 -2.00 0.00 0.00 174.74 175.03 1rul s ASN 60 N -2.99 6.58 0.45 7.38 3.84 0.12 -4.89 114.94 125.42 1rul s ASN 60 Ca 0.18 2.60 0.31 0.00 0.21 0.00 0.00 52.86 56.16 1rul s ASN 60 Cb 0.06 -2.59 1.52 0.00 -0.55 0.00 0.00 41.25 39.70 1rul s ASN 60 CO -0.01 -0.85 1.93 -0.65 -2.79 0.00 0.00 177.10 174.73 1rul h PRO 61 N 7.18 0.00 0.00 0.43 0.11 -1.94 -1.23 132.00 136.55 1rul h PRO 61 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1rul h PRO 61 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rul h PRO 61 CO 0.92 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 179.36 1rul h SER 62 N 0.00 0.00 -0.21 -2.05 4.64 -1.96 -1.18 113.55 112.79 1rul h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rul h SER 62 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1rul h SER 62 CO 0.00 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.15 1rul n LEU 63 N -3.17 3.05 0.00 5.97 4.77 -0.46 -5.02 117.00 122.14 1rul n LEU 63 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1rul n LEU 63 Cb 0.13 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1rul n LEU 63 CO 0.23 0.59 0.00 1.17 -1.33 0.00 0.00 177.39 178.05 1rul n LYS 64 N 1.28 0.00 -0.02 3.23 0.00 -0.45 -0.18 118.16 122.03 1rul n LYS 64 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1rul n LYS 64 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1rul n LYS 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1rul n SER 65 N 0.00 0.00 0.04 3.14 3.41 -1.26 -4.85 113.62 114.10 1rul n SER 65 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1rul n SER 65 Cb 0.00 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.44 1rul n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rul n ARG 66 N -2.00 0.11 -5.12 4.33 1.74 0.75 -4.87 116.66 111.59 1rul n ARG 66 Ca 0.00 0.08 -0.32 0.00 -0.77 0.00 0.00 57.85 56.84 1rul n ARG 66 Cb 0.00 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 29.67 1rul n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1rul s ILE 67 N -3.04 2.41 -0.06 0.55 2.07 -1.26 -0.82 121.20 121.05 1rul s ILE 67 Ca 0.12 -0.94 0.05 0.00 -1.41 0.00 0.00 60.65 58.47 1rul s ILE 67 Cb 0.16 -1.91 -0.00 0.00 0.13 0.00 0.00 42.46 40.84 1rul s ILE 67 CO 0.58 0.57 -0.21 -0.55 -1.91 0.00 0.00 174.94 173.42 1rul s SER 68 N -0.24 2.64 -0.15 4.50 0.15 -0.48 -5.01 113.70 115.11 1rul s SER 68 Ca -0.00 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.21 1rul s SER 68 Cb -0.13 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.36 1rul s SER 68 CO 0.03 0.18 -0.16 -0.63 1.20 0.00 0.00 173.24 173.86 1rul s ILE 69 N 0.05 1.69 0.33 6.45 1.01 -1.26 -1.14 121.20 128.32 1rul s ILE 69 Ca -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1rul s ILE 69 Cb -0.14 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.73 1rul s ILE 69 CO 0.04 0.48 0.10 0.42 0.00 0.00 0.00 174.94 175.97 1rul s THR 70 N 1.32 0.79 0.04 2.92 -4.23 -0.99 -4.91 115.64 110.58 1rul s THR 70 Ca 0.02 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1rul s THR 70 Cb -0.13 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 1rul s THR 70 CO -0.09 0.00 0.01 0.00 -0.54 0.00 0.00 174.62 174.00 1rul s ARG 71 N -3.87 0.54 -0.30 3.99 1.70 -1.26 -0.16 118.95 119.59 1rul s ARG 71 Ca 0.34 -0.96 0.03 0.00 -0.47 0.00 0.00 55.73 54.67 1rul s ARG 71 Cb 0.07 0.20 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 1rul s ARG 71 CO 0.15 -0.11 -0.03 0.34 -1.08 0.00 0.00 175.30 174.57 1rul s ASP 72 N -2.39 4.57 0.38 -2.89 -1.08 0.53 -4.98 116.67 110.81 1rul s ASP 72 Ca -0.01 -1.75 0.20 0.00 -0.52 0.00 0.00 52.55 50.47 1rul s ASP 72 Cb 0.02 -1.56 0.67 0.00 -1.46 0.00 0.00 42.92 40.58 1rul s ASP 72 CO -0.07 -0.28 1.72 0.71 0.52 0.00 0.00 175.17 177.77 1rul h THR 73 N 6.69 0.76 0.00 1.71 1.35 -1.97 -1.62 112.91 119.83 1rul h THR 73 Ca -0.12 -1.48 -0.04 0.00 -0.55 0.00 0.00 66.41 64.22 1rul h THR 73 Cb 1.03 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 1rul h THR 73 CO 0.49 0.33 -0.20 0.77 -0.25 0.00 0.00 175.52 176.66 1rul h SER 74 N 0.00 0.00 -0.02 5.36 4.64 -1.94 -2.89 113.55 118.69 1rul h SER 74 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rul h SER 74 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1rul h SER 74 CO 0.04 0.20 -0.17 0.29 -0.87 0.00 0.00 176.83 176.32 1rul n LYS 75 N -3.41 1.64 -3.78 4.77 5.02 -0.94 -4.98 118.16 116.48 1rul n LYS 75 Ca -0.00 -1.34 -0.26 0.00 -2.02 0.00 0.00 58.31 54.69 1rul n LYS 75 Cb 0.39 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1rul n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rul n ASN 76 N 0.59 -4.20 -4.25 4.39 5.15 -0.66 -4.84 115.26 111.43 1rul n ASN 76 Ca 0.10 -0.73 -0.20 0.00 -0.60 0.00 0.00 54.58 53.14 1rul n ASN 76 Cb 0.45 -4.22 -0.12 0.00 -0.53 0.00 0.00 39.78 35.36 1rul n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rul s GLN 77 N -6.36 1.04 0.23 1.20 -0.21 -0.87 -2.37 119.66 112.34 1rul s GLN 77 Ca 0.47 -1.17 0.05 0.00 0.02 0.00 0.00 55.36 54.73 1rul s GLN 77 Cb -0.23 -1.10 -0.05 0.00 1.00 0.00 0.00 33.01 32.63 1rul s GLN 77 CO 0.80 0.24 -0.04 -0.59 -2.12 0.00 0.00 175.29 173.58 1rul s PHE 78 N -1.60 1.65 0.05 0.91 -0.71 -0.60 -0.34 117.98 117.34 1rul s PHE 78 Ca 0.06 -0.81 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 1rul s PHE 78 Cb -0.08 -0.93 -0.03 0.00 -1.21 0.00 0.00 43.02 40.77 1rul s PHE 78 CO 0.04 0.10 -0.07 -0.06 -1.34 0.00 0.00 175.22 173.88 1rul s PHE 79 N -3.26 0.69 -0.11 3.49 0.08 0.78 -0.08 117.98 119.57 1rul s PHE 79 Ca 0.27 -0.60 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1rul s PHE 79 Cb 0.04 -0.41 0.01 0.00 -0.57 0.00 0.00 43.02 42.09 1rul s PHE 79 CO 0.09 -0.11 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.71 1rul s LEU 80 N -1.89 2.02 -0.10 -0.37 2.96 -0.67 -2.35 118.68 118.28 1rul s LEU 80 Ca -0.06 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1rul s LEU 80 Cb -0.07 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.30 1rul s LEU 80 CO -0.01 0.11 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.37 1rul s GLN 81 N 0.56 2.43 -0.10 1.98 0.74 -0.29 -0.27 119.66 124.71 1rul s GLN 81 Ca -0.14 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.61 1rul s GLN 81 Cb -0.17 -1.95 0.02 0.00 1.10 0.00 0.00 33.01 32.01 1rul s GLN 81 CO 0.05 0.04 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.59 1rul s LEU 82 N 0.68 1.17 0.60 3.68 2.96 0.75 -1.38 118.68 127.13 1rul s LEU 82 Ca -0.13 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1rul s LEU 82 Cb -0.16 -0.77 0.09 0.00 0.50 0.00 0.00 46.19 45.84 1rul s LEU 82 CO 0.03 -0.11 0.83 0.54 -1.32 0.00 0.00 176.35 176.32 1rul s ASN 82 N 1.60 4.95 -1.51 3.68 6.03 -0.00 -0.54 114.94 129.13 1rul s ASN 82 Ca 0.02 -0.64 -0.11 0.00 -1.03 0.00 0.00 52.86 51.11 1rul s ASN 82 Cb -0.13 0.07 0.07 0.00 -3.03 0.00 0.00 41.25 38.24 1rul s ASN 82 CO -0.06 -1.43 0.82 -1.20 -2.03 0.00 0.00 177.10 173.20 1rul n SER 82 N -2.38 -3.26 -4.82 3.54 7.64 -0.88 -4.89 113.62 108.57 1rul n SER 82 Ca 0.14 -0.86 -0.32 0.00 1.01 0.00 0.00 58.87 58.84 1rul n SER 82 Cb 0.61 -3.57 0.01 0.00 -1.01 0.00 0.00 64.21 60.25 1rul n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1rul s VAL 82 N -3.45 4.03 0.34 0.44 -7.23 -0.92 -4.68 120.40 108.92 1rul s VAL 82 Ca 0.48 0.89 0.04 0.00 -1.81 0.00 0.00 61.98 61.58 1rul s VAL 82 Cb -0.24 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 1rul s VAL 82 CO 0.86 -0.63 0.17 0.42 -0.31 0.00 0.00 175.10 175.61 1rul s THR 83 N -2.62 0.35 0.52 5.32 -4.23 -1.26 -0.35 115.64 113.36 1rul s THR 83 Ca 0.61 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.32 1rul s THR 83 Cb -0.14 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.56 1rul s THR 83 CO 0.40 0.00 2.07 0.71 -0.54 0.00 0.00 174.62 177.25 1rul h THR 84 N 2.08 0.88 0.00 3.99 1.35 -1.98 0.10 112.91 119.32 1rul h THR 84 Ca -0.32 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1rul h THR 84 Cb 1.25 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1rul h THR 84 CO 0.50 0.01 0.08 -0.33 -0.25 0.00 0.00 175.52 175.54 1rul h GLU 85 N 0.04 0.00 -0.12 4.72 4.39 -1.96 0.21 114.58 121.87 1rul h GLU 85 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1rul h GLU 85 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1rul h GLU 85 CO -0.01 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.59 1rul n ASP 86 N -2.47 2.22 -4.67 1.42 8.00 0.35 -4.89 116.55 116.51 1rul n ASP 86 Ca -0.02 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.31 1rul n ASP 86 Cb 0.13 -0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1rul n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rul s THR 87 N -1.86 3.31 0.15 -3.53 2.01 0.74 -4.82 115.64 111.63 1rul s THR 87 Ca 0.34 0.46 -0.24 0.00 0.31 0.00 0.00 61.69 62.57 1rul s THR 87 Cb 0.20 -3.30 0.08 0.00 0.01 0.00 0.00 72.50 69.49 1rul s THR 87 CO 0.30 -0.03 1.07 0.00 -0.69 0.00 0.00 174.62 175.27 1rul s ALA 88 N 3.89 -1.73 -0.21 7.40 0.00 -0.76 -4.62 121.76 125.74 1rul s ALA 88 Ca 0.78 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.39 1rul s ALA 88 Cb -0.37 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1rul s ALA 88 CO 0.34 -1.07 0.49 0.99 0.00 0.00 0.00 175.76 176.50 1rul s THR 89 N -2.32 5.12 -0.20 0.00 2.01 -0.79 -0.27 115.64 119.20 1rul s THR 89 Ca 0.21 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 63.01 1rul s THR 89 Cb -0.02 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1rul s THR 89 CO 0.04 0.19 0.09 -0.31 -0.69 0.00 0.00 174.62 173.94 1rul s TYR 90 N 1.62 3.31 -0.04 4.92 1.51 0.50 0.03 117.35 129.19 1rul s TYR 90 Ca 0.23 0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.51 1rul s TYR 90 Cb -0.15 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1rul s TYR 90 CO 0.09 0.18 -0.23 0.71 -1.11 0.00 0.00 175.55 175.19 1rul s TYR 91 N 0.47 2.45 0.08 2.71 2.02 0.15 -0.31 117.35 124.93 1rul s TYR 91 Ca 0.05 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 1rul s TYR 91 Cb -0.12 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.83 1rul s TYR 91 CO -0.00 -0.03 0.32 0.00 -1.57 0.00 0.00 175.55 174.27 1rul s ALA 93 N -1.50 -1.19 -0.12 0.00 0.00 0.13 -1.02 121.76 118.06 1rul s ALA 93 Ca 0.35 1.63 -0.07 0.00 0.00 0.00 0.00 51.96 53.87 1rul s ALA 93 Cb -0.13 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1rul s ALA 93 CO 0.22 -0.46 0.13 0.20 0.00 0.00 0.00 175.76 175.85 1rul s GLY 94 N 1.87 2.13 -0.01 0.00 0.00 0.03 -0.77 107.32 110.56 1rul s GLY 94 Ca -0.07 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 44.05 1rul s GLY 94 CO -0.14 -0.37 -0.17 1.08 0.00 0.00 0.00 173.10 173.50 1rul s LEU 95 N -0.95 2.03 0.06 0.66 1.02 -0.51 -1.61 118.68 119.38 1rul s LEU 95 Ca 0.14 -0.31 -0.30 0.00 0.02 0.00 0.00 54.13 53.68 1rul s LEU 95 Cb -0.12 -0.89 -0.09 0.00 0.02 0.00 0.00 46.19 45.11 1rul s LEU 95 CO 0.04 0.21 1.84 -0.76 0.02 0.00 0.00 176.35 177.69 1rul s LEU 96 N -0.38 4.40 0.45 1.79 1.43 -0.09 -1.00 118.68 125.27 1rul s LEU 96 Ca 0.06 2.62 0.25 0.00 -1.03 0.00 0.00 54.13 56.03 1rul s LEU 96 Cb -0.07 -3.55 1.27 0.00 0.03 0.00 0.00 46.19 43.87 1rul s LEU 96 CO -0.01 -1.00 1.77 -0.25 0.23 0.00 0.00 176.35 177.10 1rul h TRP 97 N 9.47 0.44 -0.05 0.29 2.91 -1.65 -2.75 115.95 124.62 1rul h TRP 97 Ca -0.46 0.02 -0.16 0.00 1.13 0.00 0.00 58.89 59.41 1rul h TRP 97 Cb 1.22 -0.13 0.01 0.00 -0.51 0.00 0.00 29.16 29.75 1rul h TRP 97 CO 0.87 0.02 -0.61 -0.92 -1.03 0.00 0.00 178.44 176.77 1rul h TYR 98 N 0.25 0.70 0.00 2.65 3.20 -1.89 -3.50 116.97 118.38 1rul h TYR 98 Ca 0.60 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1rul h TYR 98 Cb 1.81 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1rul h TYR 98 CO -0.00 1.15 0.00 -0.40 -1.64 0.00 0.00 178.16 177.27 1rul n ASP 99 N -4.18 -0.03 0.00 -2.11 5.68 -1.04 -5.27 116.55 109.61 1rul n ASP 99 Ca -0.09 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1rul n ASP 99 Cb 0.66 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 1rul n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rul n GLY 100 N 1.71 0.16 2.35 6.12 0.00 -1.24 -4.97 105.19 109.32 1rul n GLY 100 Ca 0.00 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1rul n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rul n ALA 100 N -0.98 -0.25 -1.68 4.61 0.00 -1.26 -0.91 120.51 120.04 1rul n ALA 100 Ca 0.00 0.19 -0.64 0.00 0.00 0.00 0.00 53.44 52.98 1rul n ALA 100 Cb 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 19.45 17.85 1rul n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rul n GLY 101 N -1.28 0.16 2.78 0.00 0.00 -1.25 -4.77 105.19 100.83 1rul n GLY 101 Ca -0.14 0.94 -0.22 0.00 0.00 0.00 0.00 46.02 46.59 1rul n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rul s SER 102 N 2.30 1.47 0.12 1.61 0.01 -0.64 -4.97 113.70 113.60 1rul s SER 102 Ca 1.00 -0.08 0.08 0.00 1.31 0.00 0.00 55.95 58.27 1rul s SER 102 Cb -1.39 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.39 1rul s SER 102 CO 0.74 -0.18 -0.12 0.26 0.41 0.00 0.00 173.24 174.34 1rul s TRP 103 N 1.87 2.67 0.40 2.43 0.52 -1.26 -0.79 118.94 124.78 1rul s TRP 103 Ca 0.03 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 55.89 1rul s TRP 103 Cb -0.12 -1.39 0.10 0.00 -1.15 0.00 0.00 33.47 30.90 1rul s TRP 103 CO -0.05 0.42 0.37 0.41 0.02 0.00 0.00 176.95 178.13 1rul n GLY 104 N 0.65 -2.42 0.22 0.98 0.00 -0.18 -4.64 105.19 99.80 1rul n GLY 104 Ca -0.14 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1rul n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1rul h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.46 115.11 111.35 1rul h GLN 105 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1rul h GLN 105 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.89 1rul h GLN 105 CO 0.09 0.24 0.00 0.41 -0.00 0.00 0.00 178.83 179.57 1rul n GLY 106 N -0.13 1.97 2.98 0.06 0.00 -1.26 -5.05 105.19 103.76 1rul n GLY 106 Ca -0.01 -1.49 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 1rul n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rul s THR 107 N -0.56 0.86 0.09 2.61 -1.32 0.58 -4.91 115.64 112.98 1rul s THR 107 Ca 0.00 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.84 1rul s THR 107 Cb 0.00 -0.80 -0.05 0.00 -1.51 0.00 0.00 72.50 70.14 1rul s THR 107 CO 0.00 0.28 0.95 -0.22 -2.21 0.00 0.00 174.62 173.43 1rul s LEU 108 N 0.57 4.47 -0.14 9.08 2.96 -1.26 -0.37 118.68 134.00 1rul s LEU 108 Ca -0.10 1.75 0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1rul s LEU 108 Cb -0.13 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.01 1rul s LEU 108 CO 0.02 -0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.07 1rul s VAL 109 N 0.17 1.89 -0.22 1.68 1.01 0.63 -4.49 120.40 121.08 1rul s VAL 109 Ca 0.47 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1rul s VAL 109 Cb -0.23 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1rul s VAL 109 CO 0.29 0.52 0.08 -0.89 0.00 0.00 0.00 175.10 175.09 1rul s THR 110 N 1.00 4.64 -0.46 3.92 2.01 0.35 -1.83 115.64 125.27 1rul s THR 110 Ca -0.04 -0.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.73 1rul s THR 110 Cb -0.15 -3.13 0.06 0.00 0.01 0.00 0.00 72.50 69.29 1rul s THR 110 CO -0.05 0.39 0.38 -0.69 -0.69 0.00 0.00 174.62 173.97 1rul s VAL 111 N 0.99 5.23 -0.05 3.82 1.01 -1.26 -0.37 120.40 129.76 1rul s VAL 111 Ca 0.04 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1rul s VAL 111 Cb -0.14 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 32.22 1rul s VAL 111 CO 0.03 -0.53 0.66 -0.55 0.00 0.00 0.00 175.10 174.72 1rul s SER 112 N 2.40 -0.64 0.00 3.32 0.15 -0.40 -4.41 113.70 114.13 1rul s SER 112 Ca 0.05 0.69 0.28 0.00 0.70 0.00 0.00 55.95 57.67 1rul s SER 112 Cb -0.23 0.53 1.04 0.00 -1.71 0.00 0.00 66.02 65.66 1rul s SER 112 CO 0.08 -0.60 1.77 0.00 1.20 0.00 0.00 173.24 175.68 1rul n ALA 113 N 0.94 2.82 -1.51 5.45 0.00 -1.26 -4.31 120.51 122.64 1rul n ALA 113 Ca -0.19 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 52.68 1rul n ALA 113 Cb 0.57 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.76 1rul n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rul s ALA 114 N -2.80 2.34 0.24 0.00 0.00 -1.26 -4.99 121.76 115.28 1rul s ALA 114 Ca 0.19 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 1rul s ALA 114 Cb 0.19 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1rul s ALA 114 CO 0.55 -1.50 0.57 -1.59 0.00 0.00 0.00 175.76 173.79 1rul s LYS 115 N -3.79 3.83 0.04 0.00 -2.85 -1.26 -5.01 119.74 110.70 1rul s LYS 115 Ca 0.73 0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 55.73 1rul s LYS 115 Cb -0.27 -2.64 -0.08 0.00 -2.06 0.00 0.00 37.83 32.78 1rul s LYS 115 CO 0.40 0.31 1.82 0.99 0.10 0.00 0.00 175.35 178.98 1rul s THR 116 N -1.82 3.07 -0.09 3.79 2.01 -1.26 -4.69 115.64 116.65 1rul s THR 116 Ca 0.48 0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.75 1rul s THR 116 Cb -0.11 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.25 1rul s THR 116 CO 0.21 -0.02 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.11 1rul s THR 117 N 3.78 1.21 0.52 -0.82 2.01 0.78 -4.95 115.64 118.18 1rul s THR 117 Ca 0.81 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 62.13 1rul s THR 117 Cb -0.41 -1.12 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 1rul s THR 117 CO 0.36 0.38 1.12 0.00 -0.69 0.00 0.00 174.62 175.80 1rul s ALA 118 N 0.95 2.76 0.60 7.40 0.00 -1.26 -1.75 121.76 130.45 1rul s ALA 118 Ca -0.09 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 1rul s ALA 118 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1rul s ALA 118 CO 0.00 -0.70 0.99 -1.25 0.00 0.00 0.00 175.76 174.80 1rul s PRO 119 N -3.19 3.59 -0.17 0.00 0.04 -1.26 -4.53 135.00 129.48 1rul s PRO 119 Ca 0.71 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 1rul s PRO 119 Cb -0.24 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1rul s PRO 119 CO 0.27 -0.51 0.23 -1.12 0.04 0.00 0.00 177.00 175.91 1rul s SER 120 N -4.16 6.36 -0.31 6.66 0.01 -0.54 -4.94 113.70 116.77 1rul s SER 120 Ca 0.54 0.41 -0.06 0.00 1.31 0.00 0.00 55.95 58.15 1rul s SER 120 Cb -0.11 -2.15 0.03 0.00 0.21 0.00 0.00 66.02 64.00 1rul s SER 120 CO 0.52 0.13 0.07 -0.69 0.41 0.00 0.00 173.24 173.69 1rul s VAL 121 N 0.41 3.68 -0.09 3.43 1.01 -1.26 0.15 120.40 127.73 1rul s VAL 121 Ca 0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1rul s VAL 121 Cb -0.12 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 1rul s VAL 121 CO 0.02 -0.07 -0.01 -0.31 0.00 0.00 0.00 175.10 174.74 1rul s TYR 122 N 1.41 3.13 0.30 5.22 2.02 0.14 -4.93 117.35 124.63 1rul s TYR 122 Ca -0.01 0.15 -0.27 0.00 -0.37 0.00 0.00 57.07 56.58 1rul s TYR 122 Cb -0.19 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.49 1rul s TYR 122 CO 0.02 0.43 0.94 -1.25 -1.57 0.00 0.00 175.55 174.12 1rul s PRO 123 N -0.80 4.64 -0.51 -1.71 0.04 -1.26 -0.40 135.00 135.00 1rul s PRO 123 Ca 0.12 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 1rul s PRO 123 Cb -0.11 -2.91 0.13 0.00 0.04 0.00 0.00 34.50 31.65 1rul s PRO 123 CO 0.02 0.33 0.29 -0.51 0.04 0.00 0.00 177.00 177.18 1rul s LEU 124 N -1.86 4.97 0.09 -3.56 1.43 0.28 -4.85 118.68 115.17 1rul s LEU 124 Ca 0.48 -2.61 -0.21 0.00 -1.03 0.00 0.00 54.13 50.76 1rul s LEU 124 Cb -0.20 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 1rul s LEU 124 CO 0.26 -0.38 0.62 0.00 0.23 0.00 0.00 176.35 177.08 1rul s ALA 125 N 0.29 3.55 0.43 4.21 0.00 -1.26 -0.39 121.76 128.60 1rul s ALA 125 Ca 0.14 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.97 1rul s ALA 125 Cb -0.22 -2.71 -0.08 0.00 0.00 0.00 0.00 23.12 20.11 1rul s ALA 125 CO -0.03 0.37 1.21 -1.25 0.00 0.00 0.00 175.76 176.06 1rul s PRO 126 N -1.09 3.86 0.34 0.00 0.04 -1.26 -4.90 135.00 131.97 1rul s PRO 126 Ca 0.31 1.92 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1rul s PRO 126 Cb -0.20 -2.57 -0.10 0.00 0.04 0.00 0.00 34.50 31.67 1rul s PRO 126 CO 0.21 -0.51 1.28 0.14 0.04 0.00 0.00 177.00 178.15 1rul s VAL 127 N -1.42 2.80 0.25 -0.36 -7.23 -1.26 -4.41 120.40 108.78 1rul s VAL 127 Ca 0.60 0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 61.45 1rul s VAL 127 Cb -0.32 -3.50 0.36 0.00 0.56 0.00 0.00 36.38 33.48 1rul s VAL 127 CO 0.40 0.18 1.53 0.00 -0.31 0.00 0.00 175.10 176.90 1rul h GLY 129 N 0.00 0.00 -3.08 0.00 0.00 -2.03 -1.38 103.07 96.58 1rul h GLY 129 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1rul h GLY 129 CO -1.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 176.76 1rul n ASP 130 N -3.52 4.86 -0.27 0.19 9.92 0.40 -4.22 116.55 123.90 1rul n ASP 130 Ca -0.02 -2.73 0.05 0.00 -0.53 0.00 0.00 54.79 51.56 1rul n ASP 130 Cb 0.11 -0.64 0.01 0.00 -0.64 0.00 0.00 41.12 39.96 1rul n ASP 130 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1rul n THR 133 N 0.58 0.00 0.83 -3.53 -2.24 -0.52 -4.64 114.28 104.75 1rul n THR 133 Ca 0.23 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 1rul n THR 133 Cb 1.01 1.14 0.25 0.00 -2.10 0.00 0.00 70.33 70.63 1rul n THR 133 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rul n THR 134 N -0.05 0.44 -2.42 4.28 -2.24 -1.26 -4.88 114.28 108.15 1rul n THR 134 Ca 0.05 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 61.09 1rul n THR 134 Cb 0.22 0.36 0.13 0.00 -2.10 0.00 0.00 70.33 68.94 1rul n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rul n GLY 135 N 1.18 0.13 0.11 3.38 0.00 -1.26 -5.03 105.19 103.70 1rul n GLY 135 Ca 0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 1rul n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rul h SER 136 N -0.84 0.00 -3.46 1.61 4.64 -1.97 -3.42 113.55 110.11 1rul h SER 136 Ca -0.34 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.32 1rul h SER 136 Cb 1.16 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.08 1rul h SER 136 CO 0.33 0.66 -0.78 -0.44 -0.87 0.00 0.00 176.83 175.73 1rul s SER 137 N -6.46 3.96 0.01 4.97 0.01 -1.26 -0.20 113.70 114.73 1rul s SER 137 Ca 0.02 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.73 1rul s SER 137 Cb 0.08 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.73 1rul s SER 137 CO 0.77 0.15 -0.10 0.54 0.41 0.00 0.00 173.24 175.02 1rul s VAL 138 N -1.36 0.78 -0.15 3.43 0.11 0.75 -4.68 120.40 119.29 1rul s VAL 138 Ca 0.20 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1rul s VAL 138 Cb -0.10 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1rul s VAL 138 CO 0.12 0.07 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.96 1rul s THR 139 N -0.52 3.13 0.29 5.04 2.01 -1.26 -1.23 115.64 123.10 1rul s THR 139 Ca 0.01 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.49 1rul s THR 139 Cb -0.05 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.07 1rul s THR 139 CO 0.00 0.50 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.65 1rul s LEU 140 N 0.61 3.05 0.26 4.42 1.02 -0.62 -4.43 118.68 122.98 1rul s LEU 140 Ca -0.07 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 1rul s LEU 140 Cb -0.15 -1.54 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 1rul s LEU 140 CO 0.03 -0.06 0.32 -0.83 0.02 0.00 0.00 176.35 175.83 1rul s GLY 141 N -3.67 1.26 -0.12 -3.19 0.00 0.48 -1.54 107.32 100.53 1rul s GLY 141 Ca 0.32 -1.45 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 1rul s GLY 141 CO 0.19 -1.09 0.28 0.00 0.00 0.00 0.00 173.10 172.48 1rul s LEU 143 N 1.58 3.16 -0.41 0.00 2.96 0.47 -1.36 118.68 125.08 1rul s LEU 143 Ca -0.07 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 1rul s LEU 143 Cb -0.11 -1.76 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1rul s LEU 143 CO -0.09 -0.07 0.28 -0.69 -1.32 0.00 0.00 176.35 174.46 1rul s VAL 144 N 1.46 5.01 -0.01 1.68 1.01 0.27 0.23 120.40 130.05 1rul s VAL 144 Ca 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1rul s VAL 144 Cb -0.15 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1rul s VAL 144 CO -0.02 -0.33 -0.21 -0.75 0.00 0.00 0.00 175.10 173.79 1rul s LYS 145 N 1.63 1.69 -0.34 2.72 2.20 0.12 -0.56 119.74 127.20 1rul s LYS 145 Ca 0.04 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1rul s LYS 145 Cb -0.20 -1.64 -0.00 0.00 -1.51 0.00 0.00 37.83 34.48 1rul s LYS 145 CO 0.08 0.45 0.29 0.41 -0.36 0.00 0.00 175.35 176.22 1rul n GLY 146 N 2.53 0.22 3.61 5.54 0.00 -0.03 -1.47 105.19 115.59 1rul n GLY 146 Ca -0.15 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.33 1rul n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rul s TYR 147 N -3.10 2.50 -0.28 1.61 1.13 -0.87 -4.31 117.35 114.03 1rul s TYR 147 Ca 0.01 -0.48 -0.21 0.00 -1.41 0.00 0.00 57.07 54.98 1rul s TYR 147 Cb -0.00 -1.50 0.12 0.00 -1.10 0.00 0.00 41.96 39.48 1rul s TYR 147 CO 0.21 0.50 0.96 0.12 -2.51 0.00 0.00 175.55 174.82 1rul s PHE 148 N -2.56 -0.59 0.49 -3.49 5.36 -0.72 0.66 117.98 117.13 1rul s PHE 148 Ca 0.34 1.31 -0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1rul s PHE 148 Cb 0.02 0.38 0.10 0.00 -0.34 0.00 0.00 43.02 43.17 1rul s PHE 148 CO 0.19 -0.29 0.67 -0.35 -1.46 0.00 0.00 175.22 173.98 1rul n PRO 149 N 2.89 0.10 -1.59 10.12 -0.04 -1.26 -0.15 135.00 145.07 1rul n PRO 149 Ca -0.15 -1.80 -0.34 0.00 -0.04 0.00 0.00 63.50 61.17 1rul n PRO 149 Cb 0.57 -0.46 0.07 0.00 -0.04 0.00 0.00 33.50 33.64 1rul n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rul s GLU 150 N -4.22 2.45 0.52 0.54 0.41 -1.26 -4.69 118.70 112.46 1rul s GLU 150 Ca 0.44 1.58 0.05 0.00 -0.41 0.00 0.00 54.97 56.64 1rul s GLU 150 Cb -0.02 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.46 1rul s GLU 150 CO 0.29 -1.56 0.34 -1.25 -0.49 0.00 0.00 175.26 172.60 1rul s PRO 151 N -3.99 2.26 0.29 0.39 0.04 -1.26 -4.94 135.00 127.80 1rul s PRO 151 Ca 0.71 -2.02 0.09 0.00 0.04 0.00 0.00 61.00 59.82 1rul s PRO 151 Cb -0.25 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1rul s PRO 151 CO 0.43 -0.53 0.07 0.14 0.04 0.00 0.00 177.00 177.16 1rul s VAL 152 N -2.75 3.39 -0.06 -0.36 -7.23 -1.26 -4.42 120.40 107.71 1rul s VAL 152 Ca 0.32 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1rul s VAL 152 Cb -0.01 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1rul s VAL 152 CO 0.20 -0.30 -0.14 0.42 -0.31 0.00 0.00 175.10 174.97 1rul s THR 153 N -2.34 3.10 -0.05 5.32 -4.23 -0.47 -4.97 115.64 111.99 1rul s THR 153 Ca 0.34 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 1rul s THR 153 Cb -0.05 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1rul s THR 153 CO 0.22 0.58 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.62 1rul s LEU 154 N -0.60 1.19 0.23 4.79 0.20 -1.26 -1.14 118.68 122.09 1rul s LEU 154 Ca 0.09 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 54.81 1rul s LEU 154 Cb -0.11 -0.46 -0.05 0.00 -0.43 0.00 0.00 46.19 45.14 1rul s LEU 154 CO 0.01 -0.08 0.03 0.42 -0.29 0.00 0.00 176.35 176.44 1rul s THR 156 N 1.14 0.80 -0.11 3.68 -4.23 -0.64 -5.00 115.64 111.28 1rul s THR 156 Ca -0.08 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 1rul s THR 156 Cb -0.14 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1rul s THR 156 CO -0.01 -0.24 -0.22 0.26 -0.54 0.00 0.00 174.62 173.87 1rul s TRP 157 N -3.58 2.50 -1.45 3.99 0.52 -1.26 -0.88 118.94 118.78 1rul s TRP 157 Ca 0.31 -1.11 -0.06 0.00 0.02 0.00 0.00 56.10 55.25 1rul s TRP 157 Cb 0.07 -1.69 0.04 0.00 -1.15 0.00 0.00 33.47 30.74 1rul s TRP 157 CO 0.10 -0.48 0.70 0.09 0.02 0.00 0.00 176.95 177.37 1rul n ASN 162 N 3.77 -2.13 -2.04 2.95 3.02 0.16 -0.69 115.26 120.31 1rul n ASN 162 Ca -0.20 -0.89 -0.20 0.00 -0.03 0.00 0.00 54.58 53.26 1rul n ASN 162 Cb 0.52 -3.53 -0.04 0.00 -0.61 0.00 0.00 39.78 36.12 1rul n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rul n SER 163 N -2.92 -5.57 0.00 6.41 7.64 -1.26 -1.55 113.62 116.36 1rul n SER 163 Ca -0.17 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1rul n SER 163 Cb 0.62 -4.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1rul n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rul n GLY 164 N -0.72 0.64 0.08 0.23 0.00 0.14 -4.91 105.19 100.65 1rul n GLY 164 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 1rul n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rul n SER 165 N 0.00 0.61 -4.16 1.61 3.41 -0.60 -4.41 113.62 110.08 1rul n SER 165 Ca 0.00 0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 58.77 1rul n SER 165 Cb 0.00 -0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 63.16 1rul n SER 165 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1rul s LEU 166 N -4.14 5.64 -0.03 1.04 2.96 -0.98 -4.86 118.68 118.33 1rul s LEU 166 Ca 0.11 -2.65 0.05 0.00 -0.22 0.00 0.00 54.13 51.42 1rul s LEU 166 Cb 0.14 -1.95 -0.07 0.00 0.50 0.00 0.00 46.19 44.81 1rul s LEU 166 CO 0.58 -0.47 0.06 -1.54 -1.32 0.00 0.00 176.35 173.67 1rul n SER 167 N 3.85 3.85 -4.77 3.68 3.41 -1.26 -4.33 113.62 118.05 1rul n SER 167 Ca 0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.29 1rul n SER 167 Cb 0.40 0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 65.25 1rul n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1rul s SER 168 N -3.08 6.72 -0.55 4.04 0.01 -1.26 -3.73 113.70 115.86 1rul s SER 168 Ca -0.02 2.31 0.00 0.00 1.31 0.00 0.00 55.95 59.55 1rul s SER 168 Cb 0.02 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1rul s SER 168 CO 0.20 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1rul n GLY 169 N 0.71 0.62 3.74 3.44 0.00 -1.26 -4.69 105.19 107.75 1rul n GLY 169 Ca 0.03 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1rul n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rul s VAL 171 N -2.22 4.66 -0.18 1.61 1.01 -1.24 -0.71 120.40 123.34 1rul s VAL 171 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1rul s VAL 171 Cb 0.00 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.45 1rul s VAL 171 CO 0.00 0.61 0.00 -1.00 0.00 0.00 0.00 175.10 174.71 1rul s HIS 172 N -0.93 1.29 -0.24 5.22 3.76 0.57 -4.98 115.29 119.99 1rul s HIS 172 Ca 0.14 -0.92 -0.06 0.00 -0.15 0.00 0.00 55.06 54.06 1rul s HIS 172 Cb -0.12 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 1rul s HIS 172 CO 0.03 -0.59 0.04 0.99 -0.85 0.00 0.00 174.74 174.36 1rul s THR 173 N 1.77 4.13 0.26 1.30 2.01 -1.26 0.42 115.64 124.27 1rul s THR 173 Ca -0.00 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 1rul s THR 173 Cb -0.16 -2.92 -0.06 0.00 0.01 0.00 0.00 72.50 69.37 1rul s THR 173 CO -0.07 0.37 0.55 -0.36 -0.69 0.00 0.00 174.62 174.41 1rul s PHE 174 N 1.47 3.45 0.42 4.92 0.40 -0.59 -5.01 117.98 123.05 1rul s PHE 174 Ca 0.06 0.76 -0.27 0.00 -0.60 0.00 0.00 56.93 56.88 1rul s PHE 174 Cb -0.15 -2.18 -0.10 0.00 0.51 0.00 0.00 43.02 41.10 1rul s PHE 174 CO 0.02 0.22 1.46 -2.30 0.70 0.00 0.00 175.22 175.33 1rul n PRO 175 N -0.50 2.46 -1.99 0.24 -0.02 -1.26 -4.45 135.00 129.48 1rul n PRO 175 Ca -0.01 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 61.98 1rul n PRO 175 Cb 0.53 -2.65 0.04 0.00 -0.02 0.00 0.00 33.50 31.40 1rul n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rul s ALA 176 N -1.16 2.53 -0.10 3.55 0.00 -1.26 -4.83 121.76 120.49 1rul s ALA 176 Ca 0.57 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1rul s ALA 176 Cb -0.46 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 1rul s ALA 176 CO 0.61 -1.20 -0.20 0.08 0.00 0.00 0.00 175.76 175.05 1rul s VAL 177 N -1.57 2.49 -0.19 0.00 1.01 0.02 -4.93 120.40 117.25 1rul s VAL 177 Ca 0.78 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1rul s VAL 177 Cb -0.31 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1rul s VAL 177 CO 0.34 0.55 0.18 -0.22 0.00 0.00 0.00 175.10 175.95 1rul s LEU 178 N 0.13 4.22 -0.08 3.92 2.96 -1.26 -0.97 118.68 127.60 1rul s LEU 178 Ca -0.10 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1rul s LEU 178 Cb -0.16 -2.17 0.04 0.00 0.50 0.00 0.00 46.19 44.41 1rul s LEU 178 CO 0.06 0.16 0.17 -1.58 -1.32 0.00 0.00 176.35 173.84 1rul s GLN 179 N 0.35 0.09 -1.46 1.98 0.74 -0.36 -4.93 119.66 116.07 1rul s GLN 179 Ca 0.11 0.49 -0.09 0.00 0.05 0.00 0.00 55.36 55.92 1rul s GLN 179 Cb -0.12 -0.19 0.04 0.00 1.10 0.00 0.00 33.01 33.84 1rul s GLN 179 CO -0.00 -0.22 0.85 0.43 -0.55 0.00 0.00 175.29 175.80 1rul n SER 180 N 4.69 -5.54 -1.41 6.67 7.64 -1.26 -1.76 113.62 122.66 1rul n SER 180 Ca -0.17 -0.50 -0.17 0.00 1.01 0.00 0.00 58.87 59.04 1rul n SER 180 Cb 0.51 -4.43 -0.06 0.00 -1.01 0.00 0.00 64.21 59.22 1rul n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1rul n ASP 183 N -2.71 -5.05 -4.15 6.43 8.00 -1.26 -5.00 116.55 112.81 1rul n ASP 183 Ca -0.02 0.35 -0.22 0.00 0.71 0.00 0.00 54.79 55.61 1rul n ASP 183 Cb 0.57 -4.06 -0.14 0.00 -0.02 0.00 0.00 41.12 37.46 1rul n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rul s LEU 184 N -4.04 2.10 0.12 0.64 1.43 -0.72 -4.69 118.68 113.52 1rul s LEU 184 Ca 0.00 -0.38 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1rul s LEU 184 Cb 0.00 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 1rul s LEU 184 CO 0.00 0.13 0.28 -0.31 0.23 0.00 0.00 176.35 176.68 1rul s TYR 185 N -0.60 3.50 -0.05 0.29 1.51 0.21 -1.22 117.35 120.99 1rul s TYR 185 Ca 0.04 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.40 1rul s TYR 185 Cb -0.07 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1rul s TYR 185 CO 0.00 0.52 -0.07 0.99 -1.11 0.00 0.00 175.55 175.88 1rul s THR 186 N -1.64 0.69 0.07 -0.71 2.01 -0.14 -0.85 115.64 115.07 1rul s THR 186 Ca 0.36 -0.23 0.06 0.00 0.31 0.00 0.00 61.69 62.19 1rul s THR 186 Cb -0.12 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 1rul s THR 186 CO 0.28 0.25 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.08 1rul s LEU 187 N 0.75 2.26 0.16 4.42 0.20 0.28 -0.79 118.68 125.96 1rul s LEU 187 Ca -0.11 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.14 1rul s LEU 187 Cb -0.14 -0.65 -0.05 0.00 -0.43 0.00 0.00 46.19 44.92 1rul s LEU 187 CO 0.01 -0.01 -0.09 -0.94 -0.29 0.00 0.00 176.35 175.03 1rul s SER 188 N -1.66 1.80 -0.05 3.68 1.04 -1.26 0.96 113.70 118.21 1rul s SER 188 Ca 0.01 -1.04 -0.05 0.00 0.48 0.00 0.00 55.95 55.35 1rul s SER 188 Cb -0.10 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1rul s SER 188 CO 0.03 -0.36 0.14 -0.55 0.98 0.00 0.00 173.24 173.48 1rul s SER 189 N -3.19 -0.14 0.19 7.02 0.15 -0.46 -1.54 113.70 115.73 1rul s SER 189 Ca 0.18 0.28 0.10 0.00 0.70 0.00 0.00 55.95 57.21 1rul s SER 189 Cb 0.03 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1rul s SER 189 CO 0.02 -0.05 -0.17 -0.94 1.20 0.00 0.00 173.24 173.30 1rul s SER 190 N 0.10 3.83 -0.03 5.45 1.04 0.17 -1.24 113.70 123.02 1rul s SER 190 Ca -0.00 -0.73 -0.00 0.00 0.48 0.00 0.00 55.95 55.70 1rul s SER 190 Cb -0.01 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.66 1rul s SER 190 CO 0.00 0.11 0.03 0.54 0.98 0.00 0.00 173.24 174.90 1rul s VAL 191 N -1.69 0.00 -0.11 5.02 0.11 -0.59 -0.31 120.40 122.82 1rul s VAL 191 Ca 0.23 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 1rul s VAL 191 Cb -0.08 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.61 1rul s VAL 191 CO 0.12 0.12 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.96 1rul s THR 192 N 1.23 2.81 0.26 5.04 2.01 0.12 -1.60 115.64 125.51 1rul s THR 192 Ca -0.07 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1rul s THR 192 Cb -0.13 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1rul s THR 192 CO -0.03 0.54 0.15 0.68 -0.69 0.00 0.00 174.62 175.27 1rul s VAL 193 N 0.19 0.24 0.08 3.82 -7.23 -0.36 -4.66 120.40 112.49 1rul s VAL 193 Ca -0.09 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.77 1rul s VAL 193 Cb -0.16 -2.53 -0.08 0.00 0.56 0.00 0.00 36.38 34.17 1rul s VAL 193 CO 0.06 0.00 1.48 -0.89 -0.31 0.00 0.00 175.10 175.43 1rul s THR 194 N -3.79 3.24 0.26 5.32 2.01 -1.26 -0.18 115.64 121.24 1rul s THR 194 Ca 0.38 0.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.12 1rul s THR 194 Cb 0.06 -3.51 0.26 0.00 0.01 0.00 0.00 72.50 69.32 1rul s THR 194 CO 0.16 0.03 1.94 -1.28 -0.69 0.00 0.00 174.62 174.78 1rul h SER 195 N 7.39 1.13 -0.07 3.53 0.87 -0.84 0.50 113.55 126.06 1rul h SER 195 Ca -0.41 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1rul h SER 195 Cb 1.20 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1rul h SER 195 CO 0.90 0.82 0.07 0.77 -0.53 0.00 0.00 176.83 178.85 1rul h SER 196 N 1.33 0.00 1.25 6.23 4.64 -1.86 -1.20 113.55 123.94 1rul h SER 196 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1rul h SER 196 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1rul h SER 196 CO -0.08 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.23 1rul n THR 198 N -4.06 0.40 -5.01 2.95 -2.24 0.17 -4.74 114.28 101.74 1rul n THR 198 Ca -0.01 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.30 1rul n THR 198 Cb 0.17 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.66 1rul n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1rul s TRP 199 N -3.07 2.63 -0.25 4.78 -0.00 -0.45 -0.66 118.94 121.91 1rul s TRP 199 Ca 0.12 -0.53 0.13 0.00 -0.00 0.00 0.00 56.10 55.82 1rul s TRP 199 Cb 0.15 -1.68 0.80 0.00 -0.00 0.00 0.00 33.47 32.74 1rul s TRP 199 CO 0.56 -0.09 1.75 -0.35 -0.00 0.00 0.00 176.95 178.82 1rul n PRO 200 N 2.91 4.65 -0.28 5.86 -0.04 -1.26 -4.94 135.00 141.91 1rul n PRO 200 Ca -0.18 -3.15 -0.05 0.00 -0.04 0.00 0.00 63.50 60.08 1rul n PRO 200 Cb 0.52 -2.25 0.06 0.00 -0.04 0.00 0.00 33.50 31.80 1rul n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1rul h SER 202 N 3.70 0.91 -3.51 3.54 0.02 -1.78 -3.33 113.55 113.10 1rul h SER 202 Ca 0.05 -0.05 -0.72 0.00 -0.84 0.00 0.00 61.79 60.23 1rul h SER 202 Cb 2.04 -0.23 -0.22 0.00 0.14 0.00 0.00 62.40 64.13 1rul h SER 202 CO 0.53 0.69 -0.45 -1.10 -1.14 0.00 0.00 176.83 175.36 1rul s GLN 203 N -6.02 2.92 0.66 3.45 -0.21 0.16 -5.07 119.66 115.55 1rul s GLN 203 Ca -0.13 -1.06 -0.16 0.00 0.02 0.00 0.00 55.36 54.03 1rul s GLN 203 Cb 0.15 -3.92 0.00 0.00 1.00 0.00 0.00 33.01 30.25 1rul s GLN 203 CO 0.79 -0.75 1.16 -1.54 -2.12 0.00 0.00 175.29 172.83 1rul s SER 204 N 1.69 4.85 -0.08 5.90 1.04 -1.25 -4.65 113.70 121.20 1rul s SER 204 Ca 0.04 2.20 0.01 0.00 0.48 0.00 0.00 55.95 58.68 1rul s SER 204 Cb -0.19 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.37 1rul s SER 204 CO 0.09 -1.81 -0.09 -0.63 0.98 0.00 0.00 173.24 171.77 1rul s ILE 205 N -2.04 1.03 -0.06 -1.02 1.01 -1.26 -4.98 121.20 113.88 1rul s ILE 205 Ca 0.72 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 61.03 1rul s ILE 205 Cb -0.25 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.23 1rul s ILE 205 CO 0.40 0.35 -0.13 -0.89 0.00 0.00 0.00 174.94 174.67 1rul s THR 206 N 1.15 1.18 -0.32 2.92 2.01 -1.26 -0.29 115.64 121.03 1rul s THR 206 Ca -0.06 -0.53 -0.26 0.00 0.31 0.00 0.00 61.69 61.15 1rul s THR 206 Cb -0.14 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.32 1rul s THR 206 CO -0.02 0.36 0.93 0.00 -0.69 0.00 0.00 174.62 175.20 1rul s ASN 209 N 1.64 5.59 -0.08 0.00 -0.87 -0.06 -0.11 114.94 121.05 1rul s ASN 209 Ca 0.39 -0.53 0.04 0.00 -1.57 0.00 0.00 52.86 51.18 1rul s ASN 209 Cb -0.13 -2.01 0.00 0.00 -0.02 0.00 0.00 41.25 39.09 1rul s ASN 209 CO 0.14 -0.20 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.58 1rul s VAL 210 N 1.62 1.71 -0.03 1.60 1.01 0.14 -1.62 120.40 124.83 1rul s VAL 210 Ca 0.05 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1rul s VAL 210 Cb -0.17 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1rul s VAL 210 CO 0.06 0.48 -0.23 0.00 0.00 0.00 0.00 175.10 175.42 1rul s ALA 211 N 0.40 1.97 -0.56 5.51 0.00 -0.29 -1.66 121.76 127.13 1rul s ALA 211 Ca -0.16 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1rul s ALA 211 Cb -0.17 -0.55 0.16 0.00 0.00 0.00 0.00 23.12 22.56 1rul s ALA 211 CO 0.07 0.44 0.38 -1.58 0.00 0.00 0.00 175.76 175.06 1rul s HIS 212 N -0.37 2.57 0.43 0.00 2.46 0.55 -1.37 115.29 119.56 1rul s HIS 212 Ca 0.04 -2.87 0.21 0.00 0.47 0.00 0.00 55.06 52.91 1rul s HIS 212 Cb -0.11 -2.09 1.18 0.00 -0.13 0.00 0.00 32.58 31.43 1rul s HIS 212 CO 0.01 -0.68 1.79 -1.35 -2.47 0.00 0.00 174.74 172.04 1rul h PRO 213 N 5.85 0.31 -0.70 2.88 0.11 -1.80 -0.62 132.00 138.04 1rul h PRO 213 Ca 0.12 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.22 1rul h PRO 213 Cb 0.84 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.85 1rul h PRO 213 CO 0.58 0.21 0.46 0.00 -0.21 0.00 0.00 178.00 179.04 1rul h ALA 214 N 1.59 1.52 -0.18 -0.75 0.00 -1.91 -2.36 119.26 117.16 1rul h ALA 214 Ca 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1rul h ALA 214 Cb 1.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rul h ALA 214 CO -0.22 0.44 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1rul n SER 215 N -4.43 2.83 -3.14 0.00 3.41 -0.46 -4.97 113.62 106.85 1rul n SER 215 Ca 0.08 -1.84 -0.22 0.00 -0.26 0.00 0.00 58.87 56.63 1rul n SER 215 Cb 0.05 -0.11 0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1rul n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rul n SER 216 N 1.08 -5.98 -4.30 4.04 7.64 -0.37 -4.99 113.62 110.74 1rul n SER 216 Ca 0.13 -0.41 -0.30 0.00 1.01 0.00 0.00 58.87 59.30 1rul n SER 216 Cb 0.49 -4.68 -0.16 0.00 -1.01 0.00 0.00 64.21 58.84 1rul n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1rul s THR 217 N -3.23 2.01 0.00 0.44 2.01 -1.03 -4.99 115.64 110.85 1rul s THR 217 Ca 0.44 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1rul s THR 217 Cb -0.19 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1rul s THR 217 CO 0.54 0.54 -0.04 -0.54 -0.69 0.00 0.00 174.62 174.43 1rul s LYS 218 N -0.67 0.35 -0.04 4.92 1.02 -1.26 -0.33 119.74 123.73 1rul s LYS 218 Ca 0.10 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1rul s LYS 218 Cb -0.10 -0.31 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1rul s LYS 218 CO -0.01 0.08 -0.07 0.08 -0.92 0.00 0.00 175.35 174.52 1rul s VAL 219 N -0.24 0.64 -0.31 3.17 1.01 -0.66 -5.01 120.40 118.99 1rul s VAL 219 Ca 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1rul s VAL 219 Cb -0.03 -0.61 0.09 0.00 0.00 0.00 0.00 36.38 35.83 1rul s VAL 219 CO -0.00 0.23 0.02 -1.81 0.00 0.00 0.00 175.10 173.54 1rul s ASP 220 N 0.56 4.52 -0.37 3.32 1.01 -1.26 0.26 116.67 124.72 1rul s ASP 220 Ca -0.08 -1.88 -0.07 0.00 0.71 0.00 0.00 52.55 51.23 1rul s ASP 220 Cb -0.12 -1.46 0.05 0.00 1.01 0.00 0.00 42.92 42.41 1rul s ASP 220 CO 0.01 -0.34 0.17 -0.75 0.21 0.00 0.00 175.17 174.46 1rul s LYS 221 N 1.09 2.60 0.08 8.23 2.47 0.84 -4.91 119.74 130.13 1rul s LYS 221 Ca 0.06 -1.29 -0.31 0.00 -1.56 0.00 0.00 55.97 52.87 1rul s LYS 221 Cb -0.19 -3.59 -0.06 0.00 -1.46 0.00 0.00 37.83 32.53 1rul s LYS 221 CO -0.10 -0.78 1.22 0.21 0.16 0.00 0.00 175.35 176.06 1rul s LYS 222 N 1.41 4.42 -0.30 4.03 2.20 -1.26 -1.18 119.74 129.06 1rul s LYS 222 Ca 0.01 1.81 -0.29 0.00 -0.36 0.00 0.00 55.97 57.14 1rul s LYS 222 Cb -0.21 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1rul s LYS 222 CO 0.03 -0.27 1.18 0.42 -0.36 0.00 0.00 175.35 176.34 1rul s ILE 223 N 0.99 4.35 -0.05 5.43 -1.09 0.60 -4.98 121.20 126.46 1rul s ILE 223 Ca 0.59 1.55 -0.10 0.00 -2.23 0.00 0.00 60.65 60.46 1rul s ILE 223 Cb -0.31 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.24 1rul s ILE 223 CO 0.30 -0.46 0.27 -1.61 -1.23 0.00 0.00 174.94 172.21 1rul s GLU 226 N 3.84 3.64 0.79 2.79 0.41 -1.26 -4.68 118.70 124.24 1rul s GLU 226 Ca 0.50 0.08 -0.11 0.00 -0.41 0.00 0.00 54.97 55.03 1rul s GLU 226 Cb -0.15 -3.17 0.07 0.00 -1.78 0.00 0.00 34.13 29.11 1rul s GLU 226 CO 0.18 0.72 1.12 -2.14 -0.49 0.00 0.00 175.26 174.65 1rul s PRO 227 N -1.22 1.98 0.58 0.39 0.02 -1.26 -4.69 135.00 130.80 1rul s PRO 227 Ca 0.21 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.41 1rul s PRO 227 Cb -0.14 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1rul s PRO 227 CO 0.10 -1.88 1.05 1.03 -0.33 0.00 0.00 177.00 176.97 1rul s ARG 228 N -4.68 3.44 0.49 5.54 0.52 -1.26 -4.80 118.95 118.20 1rul s ARG 228 Ca 0.64 1.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 1rul s ARG 228 Cb -0.20 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1rul s ARG 228 CO 0.54 -0.71 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1rul n GLY 229 N -1.05 -2.22 3.76 -3.53 0.00 -1.26 -4.93 105.19 95.97 1rul n GLY 229 Ca 0.08 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1rul n GLY 229 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rul s PRO 230 N -0.25 4.16 0.00 1.61 0.02 -1.26 -5.19 135.00 134.09 1rul s PRO 230 Ca 0.00 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1rul s PRO 230 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1rul s PRO 230 CO 0.00 -0.52 0.43 0.25 -0.33 0.00 0.00 177.00 176.83