#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ruk s VAL 2 N 0.00 3.87 -0.01 1.55 0.11 -1.26 -4.40 120.40 120.26 1ruk s VAL 2 Ca 0.00 1.74 0.04 0.00 -2.93 0.00 0.00 61.98 60.82 1ruk s VAL 2 Cb 0.00 -4.11 -0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1ruk s VAL 2 CO 0.00 0.36 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.91 1ruk s GLN 3 N -0.83 0.94 0.05 1.54 -0.21 -0.15 -4.99 119.66 116.00 1ruk s GLN 3 Ca 0.46 -0.43 0.07 0.00 0.02 0.00 0.00 55.36 55.48 1ruk s GLN 3 Cb -0.29 -0.91 -0.03 0.00 1.00 0.00 0.00 33.01 32.78 1ruk s GLN 3 CO 0.35 0.25 -0.20 -0.51 -2.12 0.00 0.00 175.29 173.07 1ruk s LEU 4 N -0.30 2.17 -0.14 2.90 1.02 -1.26 -0.88 118.68 122.19 1ruk s LEU 4 Ca 0.04 -0.52 -0.06 0.00 0.02 0.00 0.00 54.13 53.62 1ruk s LEU 4 Cb -0.05 -0.91 0.06 0.00 0.02 0.00 0.00 46.19 45.31 1ruk s LEU 4 CO -0.00 0.14 0.30 -1.58 0.02 0.00 0.00 176.35 175.22 1ruk s GLN 5 N -1.21 0.21 0.37 1.70 0.74 -0.72 -4.16 119.66 116.60 1ruk s GLN 5 Ca 0.07 0.75 -0.22 0.00 0.05 0.00 0.00 55.36 56.00 1ruk s GLN 5 Cb -0.09 0.00 -0.10 0.00 1.10 0.00 0.00 33.01 33.92 1ruk s GLN 5 CO 0.02 -0.24 0.92 -0.65 -0.55 0.00 0.00 175.29 174.79 1ruk s GLN 6 N 2.08 4.33 0.07 1.67 1.11 -1.26 -1.26 119.66 126.41 1ruk s GLN 6 Ca -0.03 1.14 -0.10 0.00 0.01 0.00 0.00 55.36 56.39 1ruk s GLN 6 Cb -0.11 -2.45 0.00 0.00 -1.01 0.00 0.00 33.01 29.44 1ruk s GLN 6 CO -0.10 0.11 0.21 -1.54 0.01 0.00 0.00 175.29 173.99 1ruk s SER 7 N -1.97 0.06 0.00 5.90 1.04 0.25 -4.91 113.70 114.06 1ruk s SER 7 Ca 0.56 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1ruk s SER 7 Cb -0.13 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1ruk s SER 7 CO 0.17 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1ruk n GLY 8 N 0.18 3.47 3.69 7.32 0.00 -1.26 -0.55 105.19 118.03 1ruk n GLY 8 Ca -0.16 -1.35 -0.44 0.00 0.00 0.00 0.00 46.02 44.07 1ruk n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ruk n PRO 9 N -1.61 2.26 0.00 1.61 -0.02 -1.26 -4.90 135.00 131.08 1ruk n PRO 9 Ca 0.00 0.81 0.12 0.00 -2.02 0.00 0.00 63.50 62.41 1ruk n PRO 9 Cb 0.00 -2.52 0.25 0.00 -0.02 0.00 0.00 33.50 31.21 1ruk n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ruk n GLY 10 N 2.45 -1.17 2.83 -1.23 0.00 -1.26 -4.82 105.19 101.99 1ruk n GLY 10 Ca 0.12 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1ruk n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ruk s LEU 11 N -2.95 0.95 -0.03 0.99 2.96 -1.26 -0.79 118.68 118.56 1ruk s LEU 11 Ca 0.12 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1ruk s LEU 11 Cb 0.18 -0.43 -0.00 0.00 0.50 0.00 0.00 46.19 46.43 1ruk s LEU 11 CO 0.69 -0.13 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.76 1ruk s VAL 12 N 1.46 1.15 0.33 1.68 1.01 -0.06 -4.97 120.40 121.00 1ruk s VAL 12 Ca -0.03 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 1ruk s VAL 12 Cb -0.13 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.16 1ruk s VAL 12 CO -0.03 0.34 0.97 -0.54 0.00 0.00 0.00 175.10 175.83 1ruk s LYS 13 N -0.04 4.54 0.30 2.72 -0.14 -1.26 -1.19 119.74 124.68 1ruk s LYS 13 Ca -0.01 1.38 -0.29 0.00 -1.36 0.00 0.00 55.97 55.70 1ruk s LYS 13 Cb -0.09 -2.80 -0.13 0.00 -1.68 0.00 0.00 37.83 33.13 1ruk s LYS 13 CO 0.01 0.23 1.28 -2.30 -0.76 0.00 0.00 175.35 173.80 1ruk n PRO 14 N 0.54 1.97 -0.66 -1.68 -0.02 -1.26 -1.52 135.00 132.38 1ruk n PRO 14 Ca 0.02 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ruk n PRO 14 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1ruk n PRO 14 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ruk n SER 15 N 1.23 0.00 -0.75 2.55 7.64 0.06 -4.95 113.62 119.39 1ruk n SER 15 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ruk n SER 15 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1ruk n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ruk n GLN 16 N -2.00 2.83 -4.59 1.43 1.13 -0.57 -4.22 117.38 111.40 1ruk n GLN 16 Ca 0.00 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.83 1ruk n GLN 16 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 1ruk n GLN 16 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1ruk s SER 17 N -1.00 2.04 0.08 1.08 0.01 -1.26 -1.79 113.70 112.86 1ruk s SER 17 Ca 0.00 -0.43 -0.20 0.00 1.31 0.00 0.00 55.95 56.63 1ruk s SER 17 Cb 0.00 -0.18 -0.07 0.00 0.21 0.00 0.00 66.02 65.99 1ruk s SER 17 CO 0.00 0.13 0.59 -0.22 0.41 0.00 0.00 173.24 174.15 1ruk s LEU 18 N -0.92 4.53 -0.17 2.44 0.20 -0.33 -4.93 118.68 119.51 1ruk s LEU 18 Ca 0.05 1.29 -0.03 0.00 0.69 0.00 0.00 54.13 56.14 1ruk s LEU 18 Cb -0.08 -2.93 0.05 0.00 -0.43 0.00 0.00 46.19 42.80 1ruk s LEU 18 CO 0.01 0.27 0.04 -0.44 -0.29 0.00 0.00 176.35 175.94 1ruk s SER 19 N -1.12 2.56 0.16 3.68 0.01 -1.26 -1.16 113.70 116.57 1ruk s SER 19 Ca 0.30 -0.64 0.11 0.00 1.31 0.00 0.00 55.95 57.02 1ruk s SER 19 Cb -0.20 -0.51 -0.04 0.00 0.21 0.00 0.00 66.02 65.48 1ruk s SER 19 CO 0.20 -0.29 -0.24 -0.76 0.41 0.00 0.00 173.24 172.55 1ruk s LEU 20 N 1.93 2.39 -0.02 2.44 1.43 0.04 -4.19 118.68 122.70 1ruk s LEU 20 Ca 0.01 -0.82 0.06 0.00 -1.03 0.00 0.00 54.13 52.35 1ruk s LEU 20 Cb -0.16 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 1ruk s LEU 20 CO -0.08 0.12 -0.20 -0.89 0.23 0.00 0.00 176.35 175.54 1ruk s THR 21 N -1.47 2.59 -0.19 5.49 2.01 0.28 -1.01 115.64 123.34 1ruk s THR 21 Ca 0.17 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1ruk s THR 21 Cb -0.09 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.44 1ruk s THR 21 CO 0.08 0.53 -0.14 0.00 -0.69 0.00 0.00 174.62 174.40 1ruk s THR 23 N 1.30 5.20 -0.18 0.00 2.01 -0.39 -1.75 115.64 121.84 1ruk s THR 23 Ca 0.04 0.53 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1ruk s THR 23 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 1ruk s THR 23 CO -0.08 0.19 0.16 -0.69 -0.69 0.00 0.00 174.62 173.51 1ruk s VAL 24 N 1.87 5.40 0.14 3.82 1.01 -0.88 -1.75 120.40 130.02 1ruk s VAL 24 Ca 0.14 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1ruk s VAL 24 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1ruk s VAL 24 CO 0.09 0.46 -0.18 0.42 0.00 0.00 0.00 175.10 175.89 1ruk s THR 25 N 0.15 1.70 0.00 3.92 -4.23 -0.06 -4.78 115.64 112.34 1ruk s THR 25 Ca 0.11 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1ruk s THR 25 Cb -0.12 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1ruk s THR 25 CO 0.00 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 1ruk n GLY 26 N 0.52 0.80 3.62 3.99 0.00 -1.26 -0.98 105.19 111.87 1ruk n GLY 26 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1ruk n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ruk s TYR 27 N -3.03 -0.46 0.14 1.61 6.14 -1.26 -4.30 117.35 116.19 1ruk s TYR 27 Ca 0.00 1.05 -0.30 0.00 0.64 0.00 0.00 57.07 58.46 1ruk s TYR 27 Cb 0.00 0.38 -0.07 0.00 0.42 0.00 0.00 41.96 42.69 1ruk s TYR 27 CO 0.00 -0.26 1.05 0.45 0.64 0.00 0.00 175.55 177.43 1ruk s SER 28 N -0.07 7.34 0.00 4.32 0.15 -1.26 -4.92 113.70 119.26 1ruk s SER 28 Ca 0.02 1.95 0.20 0.00 0.70 0.00 0.00 55.95 58.82 1ruk s SER 28 Cb -0.04 -2.59 0.98 0.00 -1.71 0.00 0.00 66.02 62.65 1ruk s SER 28 CO -0.04 -0.18 1.62 2.30 1.20 0.00 0.00 173.24 178.13 1ruk n ILE 29 N 2.72 0.43 0.33 6.45 -5.35 -1.26 -2.14 119.36 120.55 1ruk n ILE 29 Ca 0.03 0.11 0.07 0.00 -0.27 0.00 0.00 62.75 62.69 1ruk n ILE 29 Cb 0.47 -0.78 0.22 0.00 -1.74 0.00 0.00 39.64 37.82 1ruk n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ruk n THR 30 N -1.32 0.85 -5.01 7.28 -2.24 -1.26 -4.28 114.28 108.30 1ruk n THR 30 Ca 0.09 -0.70 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 1ruk n THR 30 Cb 0.17 0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 1ruk n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ruk s SER 31 N -0.92 2.49 0.00 3.42 0.01 -0.91 -4.70 113.70 113.09 1ruk s SER 31 Ca 0.33 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1ruk s SER 31 Cb 0.19 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.84 1ruk s SER 31 CO 0.20 0.21 0.00 0.47 0.41 0.00 0.00 173.24 174.53 1ruk n ASP 32 N 2.94 0.00 -4.96 2.44 8.00 -1.26 -4.85 116.55 118.86 1ruk n ASP 32 Ca -0.17 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 1ruk n ASP 32 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1ruk n ASP 32 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ruk s PHE 33 N 0.00 3.43 -0.20 1.24 0.40 -1.26 -0.78 117.98 120.81 1ruk s PHE 33 Ca 0.00 -0.00 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 1ruk s PHE 33 Cb 0.00 -1.58 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 1ruk s PHE 33 CO 0.00 0.46 0.23 0.00 0.70 0.00 0.00 175.22 176.61 1ruk s ALA 34 N -1.95 3.61 -0.44 5.36 0.00 0.03 -0.99 121.76 127.38 1ruk s ALA 34 Ca 0.34 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1ruk s ALA 34 Cb -0.09 -2.36 0.07 0.00 0.00 0.00 0.00 23.12 20.73 1ruk s ALA 34 CO 0.29 -0.03 0.33 -1.58 0.00 0.00 0.00 175.76 174.77 1ruk s TRP 35 N 0.74 3.27 0.17 0.00 0.52 0.09 -1.71 118.94 122.02 1ruk s TRP 35 Ca 0.12 -1.05 0.04 0.00 0.02 0.00 0.00 56.10 55.23 1ruk s TRP 35 Cb -0.13 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 1ruk s TRP 35 CO 0.03 -0.78 0.22 -0.80 0.02 0.00 0.00 176.95 175.65 1ruk s ASN 35 N 2.30 5.93 -0.10 2.95 0.01 0.98 -1.07 114.94 125.93 1ruk s ASN 35 Ca 0.04 0.00 0.01 0.00 -0.71 0.00 0.00 52.86 52.19 1ruk s ASN 35 Cb -0.23 -1.67 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 1ruk s ASN 35 CO 0.06 0.04 -0.12 0.26 -1.51 0.00 0.00 177.10 175.83 1ruk s TRP 36 N -1.81 2.82 0.01 2.20 0.52 -0.17 -1.14 118.94 121.36 1ruk s TRP 36 Ca 0.33 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 56.06 1ruk s TRP 36 Cb -0.10 -1.78 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1ruk s TRP 36 CO 0.26 -0.03 -0.08 0.42 0.02 0.00 0.00 176.95 177.54 1ruk s ILE 37 N -0.05 0.64 0.18 2.03 1.01 0.37 -0.63 121.20 124.75 1ruk s ILE 37 Ca -0.02 -0.49 0.07 0.00 0.00 0.00 0.00 60.65 60.21 1ruk s ILE 37 Cb -0.14 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1ruk s ILE 37 CO 0.04 0.08 -0.14 0.00 0.00 0.00 0.00 174.94 174.92 1ruk s ARG 38 N -0.46 1.24 -0.12 2.79 1.70 -0.42 -0.00 118.95 123.68 1ruk s ARG 38 Ca 0.01 -1.50 0.01 0.00 -0.47 0.00 0.00 55.73 53.78 1ruk s ARG 38 Cb -0.04 -1.05 0.02 0.00 -0.57 0.00 0.00 34.95 33.30 1ruk s ARG 38 CO -0.00 0.18 -0.16 -1.14 -1.08 0.00 0.00 175.30 173.10 1ruk s GLN 39 N -3.42 2.34 0.29 3.89 0.74 0.43 -0.83 119.66 123.10 1ruk s GLN 39 Ca 0.19 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 55.05 1ruk s GLN 39 Cb -0.01 -2.02 -0.02 0.00 1.10 0.00 0.00 33.01 32.06 1ruk s GLN 39 CO 0.05 -0.11 0.43 -0.06 -0.55 0.00 0.00 175.29 175.05 1ruk s PHE 40 N 1.11 3.33 0.23 1.67 0.08 -0.14 -1.42 117.98 122.84 1ruk s PHE 40 Ca -0.03 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.68 1ruk s PHE 40 Cb -0.14 -1.78 -0.15 0.00 -0.57 0.00 0.00 43.02 40.37 1ruk s PHE 40 CO -0.04 0.22 0.87 -2.30 -0.10 0.00 0.00 175.22 173.86 1ruk n PRO 41 N -1.55 0.83 -0.14 0.24 -0.02 -1.26 -2.35 135.00 130.74 1ruk n PRO 41 Ca -0.05 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1ruk n PRO 41 Cb 0.57 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1ruk n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ruk n GLY 42 N 1.61 0.96 3.71 -1.23 0.00 -1.26 -3.96 105.19 105.02 1ruk n GLY 42 Ca 0.14 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1ruk n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ruk n ASN 43 N 0.27 -4.96 -4.38 1.61 3.02 -1.23 -4.95 115.26 104.63 1ruk n ASN 43 Ca 0.00 -0.66 -0.37 0.00 -0.03 0.00 0.00 54.58 53.52 1ruk n ASN 43 Cb 0.00 -4.53 -0.13 0.00 -0.61 0.00 0.00 39.78 34.52 1ruk n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ruk s LYS 44 N -6.32 3.30 -0.12 3.52 2.20 -0.99 -5.01 119.74 116.32 1ruk s LYS 44 Ca 0.51 -0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 55.35 1ruk s LYS 44 Cb -0.24 -3.36 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1ruk s LYS 44 CO 0.78 -0.35 0.09 -0.51 -0.36 0.00 0.00 175.35 175.00 1ruk s LEU 45 N 1.55 4.11 -0.10 5.43 1.43 -1.26 -0.97 118.68 128.86 1ruk s LEU 45 Ca 0.04 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1ruk s LEU 45 Cb -0.16 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1ruk s LEU 45 CO 0.03 0.37 -0.10 -0.70 0.23 0.00 0.00 176.35 176.18 1ruk s GLU 46 N -0.80 1.70 -0.01 1.70 2.12 -0.01 -4.99 118.70 118.40 1ruk s GLU 46 Ca 0.13 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 1ruk s GLU 46 Cb -0.12 -1.60 -0.05 0.00 0.26 0.00 0.00 34.13 32.63 1ruk s GLU 46 CO 0.03 -0.16 1.31 -0.46 -0.54 0.00 0.00 175.26 175.44 1ruk s TRP 47 N 1.30 3.03 -0.19 5.30 -0.00 -1.26 -1.30 118.94 125.83 1ruk s TRP 47 Ca -0.02 1.01 -0.08 0.00 -0.00 0.00 0.00 56.10 57.01 1ruk s TRP 47 Cb -0.14 -3.56 -0.21 0.00 -0.00 0.00 0.00 33.47 29.57 1ruk s TRP 47 CO -0.04 -1.93 0.11 -1.33 -0.00 0.00 0.00 176.95 173.75 1ruk n MET 48 N 5.15 0.68 -3.63 5.86 2.81 0.20 -4.52 117.12 123.67 1ruk n MET 48 Ca 0.12 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1ruk n MET 48 Cb 0.45 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1ruk n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ruk n GLY 49 N 1.90 -2.25 3.17 3.03 0.00 -1.14 -0.48 105.19 109.41 1ruk n GLY 49 Ca -0.38 -1.21 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 1ruk n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ruk s TYR 50 N -2.01 0.99 -0.08 1.61 -0.85 0.08 -1.00 117.35 116.10 1ruk s TYR 50 Ca 0.00 -1.28 0.04 0.00 -0.52 0.00 0.00 57.07 55.31 1ruk s TYR 50 Cb 0.00 -0.52 0.00 0.00 0.38 0.00 0.00 41.96 41.82 1ruk s TYR 50 CO 0.00 -0.55 -0.19 -1.50 -1.52 0.00 0.00 175.55 171.79 1ruk s ILE 51 N -4.07 1.64 0.28 -3.49 2.07 -0.23 -1.75 121.20 115.64 1ruk s ILE 51 Ca 0.30 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1ruk s ILE 51 Cb 0.07 -1.43 0.05 0.00 0.13 0.00 0.00 42.46 41.29 1ruk s ILE 51 CO 0.06 0.47 0.39 -0.46 -1.91 0.00 0.00 174.94 173.48 1ruk n ASN 52 N 3.52 0.71 0.30 4.50 6.94 0.10 -0.73 115.26 130.60 1ruk n ASN 52 Ca -0.20 -1.56 0.19 0.00 -0.02 0.00 0.00 54.58 52.99 1ruk n ASN 52 Cb 0.52 -0.24 0.94 0.00 -2.36 0.00 0.00 39.78 38.65 1ruk n ASN 52 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1ruk h TYR 53 N -0.26 0.00 -0.02 -2.53 -0.00 -1.25 -0.66 116.97 112.25 1ruk h TYR 53 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.60 1ruk h TYR 53 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.26 1ruk h TYR 53 CO 0.00 0.02 -0.15 0.43 -0.00 0.00 0.00 178.16 178.47 1ruk n SER 54 N -3.22 1.98 0.00 0.10 7.64 -1.26 -4.36 113.62 114.50 1ruk n SER 54 Ca -0.02 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.32 1ruk n SER 54 Cb 0.18 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1ruk n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ruk n GLY 55 N 1.31 0.68 3.76 0.23 0.00 -0.25 -5.06 105.19 105.85 1ruk n GLY 55 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1ruk n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ruk s PHE 56 N -2.58 3.65 0.30 1.61 5.36 -1.26 -4.70 117.98 120.36 1ruk s PHE 56 Ca 0.00 1.75 0.08 0.00 -0.96 0.00 0.00 56.93 57.80 1ruk s PHE 56 Cb 0.00 -3.16 -0.06 0.00 -0.34 0.00 0.00 43.02 39.46 1ruk s PHE 56 CO 0.00 -0.26 -0.08 0.95 -1.46 0.00 0.00 175.22 174.37 1ruk s THR 57 N -1.26 1.94 -0.14 0.12 -4.23 -1.26 0.01 115.64 110.82 1ruk s THR 57 Ca 0.46 -2.18 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 1ruk s THR 57 Cb -0.28 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.09 1ruk s THR 57 CO 0.36 -0.27 0.45 -0.55 -0.54 0.00 0.00 174.62 174.06 1ruk s SER 58 N -3.51 -0.44 0.08 3.99 0.15 -0.72 -4.98 113.70 108.26 1ruk s SER 58 Ca 0.31 0.79 -0.05 0.00 0.70 0.00 0.00 55.95 57.69 1ruk s SER 58 Cb 0.03 0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 1ruk s SER 58 CO 0.14 -0.22 0.10 -1.38 1.20 0.00 0.00 173.24 173.08 1ruk s HIS 59 N -0.06 0.33 0.10 3.44 -3.43 -1.26 -0.74 115.29 113.68 1ruk s HIS 59 Ca -0.02 -0.80 -0.31 0.00 -0.80 0.00 0.00 55.06 53.12 1ruk s HIS 59 Cb -0.03 -0.20 -0.08 0.00 -1.43 0.00 0.00 32.58 30.83 1ruk s HIS 59 CO 0.02 -0.48 1.46 1.21 -2.00 0.00 0.00 174.74 174.94 1ruk s ASN 60 N -2.89 6.75 0.55 7.38 3.84 0.36 -4.89 114.94 126.03 1ruk s ASN 60 Ca 0.07 2.37 0.32 0.00 0.21 0.00 0.00 52.86 55.83 1ruk s ASN 60 Cb 0.06 -2.58 1.75 0.00 -0.55 0.00 0.00 41.25 39.93 1ruk s ASN 60 CO -0.10 -0.73 1.98 -0.65 -2.79 0.00 0.00 177.10 174.81 1ruk h PRO 61 N 7.16 0.00 -0.02 0.43 0.11 -1.95 -1.74 132.00 136.00 1ruk h PRO 61 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ruk h PRO 61 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ruk h PRO 61 CO 0.89 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 179.36 1ruk h SER 62 N 0.00 0.00 -0.48 -2.05 4.64 -1.96 -1.86 113.55 111.85 1ruk h SER 62 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ruk h SER 62 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1ruk h SER 62 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1ruk n LEU 63 N -3.65 3.22 -3.06 5.97 4.77 -0.65 -5.01 117.00 118.58 1ruk n LEU 63 Ca -0.03 -1.49 -0.10 0.00 -0.03 0.00 0.00 56.01 54.36 1ruk n LEU 63 Cb 0.11 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1ruk n LEU 63 CO 0.25 0.75 -0.09 0.29 -1.33 0.00 0.00 177.39 177.26 1ruk n LYS 64 N 1.29 -0.56 -0.49 3.23 4.76 -0.70 -0.34 118.16 125.35 1ruk n LYS 64 Ca 0.20 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1ruk n LYS 64 Cb 0.54 -0.70 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 1ruk n LYS 64 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1ruk n SER 65 N -0.53 0.00 0.00 4.39 3.41 -1.26 -4.83 113.62 114.79 1ruk n SER 65 Ca -0.11 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 1ruk n SER 65 Cb 0.24 -0.34 0.30 0.00 -0.26 0.00 0.00 64.21 64.15 1ruk n SER 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ruk n ARG 66 N -2.00 0.00 -4.58 4.33 1.74 0.54 -4.93 116.66 111.77 1ruk n ARG 66 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 1ruk n ARG 66 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 1ruk n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1ruk s ILE 67 N -3.00 3.80 -0.07 0.55 2.07 -1.26 -0.57 121.20 122.73 1ruk s ILE 67 Ca 0.11 -0.44 0.02 0.00 -1.41 0.00 0.00 60.65 58.94 1ruk s ILE 67 Cb 0.18 -2.57 0.01 0.00 0.13 0.00 0.00 42.46 40.21 1ruk s ILE 67 CO 0.68 0.59 -0.12 -0.44 -1.91 0.00 0.00 174.94 173.74 1ruk s SER 68 N -0.74 1.90 -0.15 4.50 0.01 -0.06 -5.00 113.70 114.16 1ruk s SER 68 Ca 0.11 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1ruk s SER 68 Cb -0.11 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1ruk s SER 68 CO 0.02 0.02 -0.18 -0.63 0.41 0.00 0.00 173.24 172.88 1ruk s ILE 69 N 0.79 2.42 0.33 1.44 1.01 -1.26 -1.24 121.20 124.68 1ruk s ILE 69 Ca -0.12 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.73 1ruk s ILE 69 Cb -0.15 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 1ruk s ILE 69 CO 0.02 0.53 0.23 0.42 0.00 0.00 0.00 174.94 176.14 1ruk s THR 70 N 0.82 0.11 0.16 2.92 -4.23 -1.00 -4.90 115.64 109.52 1ruk s THR 70 Ca -0.06 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.36 1ruk s THR 70 Cb -0.15 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1ruk s THR 70 CO -0.01 0.00 0.28 0.00 -0.54 0.00 0.00 174.62 174.35 1ruk s ARG 71 N -3.59 1.15 -0.26 3.99 1.70 -1.26 -0.60 118.95 120.07 1ruk s ARG 71 Ca 0.38 -1.18 -0.03 0.00 -0.47 0.00 0.00 55.73 54.43 1ruk s ARG 71 Cb 0.03 0.37 0.09 0.00 -0.57 0.00 0.00 34.95 34.87 1ruk s ARG 71 CO 0.23 -0.42 0.09 0.34 -1.08 0.00 0.00 175.30 174.47 1ruk s ASP 72 N -2.97 3.44 0.37 -2.89 -1.08 -0.01 -4.99 116.67 108.55 1ruk s ASP 72 Ca 0.17 -1.23 0.12 0.00 -0.52 0.00 0.00 52.55 51.09 1ruk s ASP 72 Cb 0.03 -0.57 0.73 0.00 -1.46 0.00 0.00 42.92 41.65 1ruk s ASP 72 CO -0.00 -0.39 1.84 0.71 0.52 0.00 0.00 175.17 177.85 1ruk h THR 73 N 6.46 1.25 0.00 1.71 1.35 -1.97 -1.14 112.91 120.57 1ruk h THR 73 Ca -0.16 -1.19 -0.03 0.00 -0.55 0.00 0.00 66.41 64.48 1ruk h THR 73 Cb 1.05 1.61 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1ruk h THR 73 CO 0.41 0.34 -0.14 0.77 -0.25 0.00 0.00 175.52 176.66 1ruk h SER 74 N 0.04 0.00 -0.01 5.36 4.64 -1.95 -2.72 113.55 118.90 1ruk h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ruk h SER 74 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1ruk h SER 74 CO 0.04 0.14 -0.48 0.29 -0.87 0.00 0.00 176.83 175.95 1ruk n LYS 75 N -3.60 1.48 -3.67 4.77 5.02 -0.81 -4.98 118.16 116.36 1ruk n LYS 75 Ca -0.02 -0.67 -0.22 0.00 -2.02 0.00 0.00 58.31 55.38 1ruk n LYS 75 Cb 0.27 -1.34 0.05 0.00 -0.02 0.00 0.00 35.03 33.99 1ruk n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ruk n ASN 76 N -0.39 -2.51 -4.22 4.39 5.15 -0.49 -4.85 115.26 112.34 1ruk n ASN 76 Ca 0.07 -0.74 -0.20 0.00 -0.60 0.00 0.00 54.58 53.10 1ruk n ASN 76 Cb 0.36 -4.35 -0.12 0.00 -0.53 0.00 0.00 39.78 35.13 1ruk n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1ruk s GLN 77 N -5.99 0.95 0.29 1.20 -0.21 -1.03 -2.07 119.66 112.81 1ruk s GLN 77 Ca 0.18 -1.07 0.05 0.00 0.02 0.00 0.00 55.36 54.54 1ruk s GLN 77 Cb -0.09 -1.03 -0.06 0.00 1.00 0.00 0.00 33.01 32.83 1ruk s GLN 77 CO 0.79 0.23 0.00 -0.59 -2.12 0.00 0.00 175.29 173.60 1ruk s PHE 78 N -1.36 1.88 0.04 0.91 -0.71 -0.71 -0.83 117.98 117.20 1ruk s PHE 78 Ca 0.02 -0.85 -0.01 0.00 -1.04 0.00 0.00 56.93 55.05 1ruk s PHE 78 Cb -0.09 -1.15 -0.03 0.00 -1.21 0.00 0.00 43.02 40.54 1ruk s PHE 78 CO 0.03 0.10 -0.02 -0.06 -1.34 0.00 0.00 175.22 173.94 1ruk s PHE 79 N -3.21 0.39 -0.07 3.49 0.08 0.23 -0.10 117.98 118.79 1ruk s PHE 79 Ca 0.32 -0.81 0.03 0.00 0.12 0.00 0.00 56.93 56.59 1ruk s PHE 79 Cb 0.06 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 1ruk s PHE 79 CO 0.13 -0.31 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.60 1ruk s LEU 80 N -2.30 1.84 -0.07 -0.37 2.96 -0.18 -2.39 118.68 118.18 1ruk s LEU 80 Ca -0.03 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1ruk s LEU 80 Cb 0.00 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1ruk s LEU 80 CO -0.06 0.10 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.30 1ruk s GLN 81 N 0.44 2.26 -0.15 1.98 0.74 -0.37 -0.78 119.66 123.79 1ruk s GLN 81 Ca -0.14 -0.66 -0.00 0.00 0.05 0.00 0.00 55.36 54.61 1ruk s GLN 81 Cb -0.16 -1.81 0.03 0.00 1.10 0.00 0.00 33.01 32.18 1ruk s GLN 81 CO 0.05 0.15 -0.07 -1.17 -0.55 0.00 0.00 175.29 173.71 1ruk s LEU 82 N 0.36 1.48 0.00 3.68 2.96 -0.31 -0.88 118.68 125.98 1ruk s LEU 82 Ca -0.13 -0.53 0.06 0.00 -0.22 0.00 0.00 54.13 53.31 1ruk s LEU 82 Cb -0.16 -0.91 0.08 0.00 0.50 0.00 0.00 46.19 45.70 1ruk s LEU 82 CO 0.05 -0.15 0.65 -0.46 -1.32 0.00 0.00 176.35 175.12 1ruk n ASN 82 N 4.89 1.57 -4.09 3.68 2.04 0.27 -1.18 115.26 122.43 1ruk n ASN 82 Ca -0.12 -2.16 -0.30 0.00 -0.44 0.00 0.00 54.58 51.55 1ruk n ASN 82 Cb 0.49 -0.36 -0.03 0.00 -2.53 0.00 0.00 39.78 37.35 1ruk n ASN 82 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1ruk n SER 82 N -2.54 -1.39 -4.79 0.53 7.64 -1.04 -4.89 113.62 107.13 1ruk n SER 82 Ca 0.13 -1.03 -0.33 0.00 1.01 0.00 0.00 58.87 58.65 1ruk n SER 82 Cb 0.47 -2.83 -0.00 0.00 -1.01 0.00 0.00 64.21 60.84 1ruk n SER 82 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1ruk s VAL 82 N -3.74 3.68 0.40 0.44 -7.23 -0.74 -4.70 120.40 108.52 1ruk s VAL 82 Ca 0.29 0.91 0.04 0.00 -1.81 0.00 0.00 61.98 61.41 1ruk s VAL 82 Cb -0.16 -3.37 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 1ruk s VAL 82 CO 0.91 -0.36 0.14 0.42 -0.31 0.00 0.00 175.10 175.90 1ruk s THR 83 N -2.20 0.54 0.63 5.32 -4.23 -1.26 -0.76 115.64 113.67 1ruk s THR 83 Ca 0.66 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.53 1ruk s THR 83 Cb -0.17 -2.35 0.40 0.00 1.34 0.00 0.00 72.50 71.71 1ruk s THR 83 CO 0.30 0.00 2.31 0.71 -0.54 0.00 0.00 174.62 177.40 1ruk h THR 84 N 1.81 0.30 0.00 3.99 1.35 -1.97 0.16 112.91 118.54 1ruk h THR 84 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1ruk h THR 84 Cb 1.27 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1ruk h THR 84 CO 0.55 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.20 1ruk n GLU 85 N -3.51 0.05 0.00 4.72 -0.58 -1.26 -2.02 120.64 118.04 1ruk n GLU 85 Ca -0.03 0.19 0.14 0.00 -0.42 0.00 0.00 57.16 57.04 1ruk n GLU 85 Cb 0.08 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 29.87 1ruk n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ruk n ASP 86 N -1.46 1.85 -4.69 1.62 8.00 0.55 -4.88 116.55 117.54 1ruk n ASP 86 Ca 0.05 -1.61 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 1ruk n ASP 86 Cb 0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1ruk n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ruk s THR 87 N -2.01 2.94 0.01 -3.53 2.01 -0.86 -4.84 115.64 109.37 1ruk s THR 87 Ca 0.35 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1ruk s THR 87 Cb 0.21 -3.24 0.11 0.00 0.01 0.00 0.00 72.50 69.58 1ruk s THR 87 CO 0.33 -0.00 1.19 0.00 -0.69 0.00 0.00 174.62 175.45 1ruk s ALA 88 N 2.77 -2.07 -0.20 7.40 0.00 -0.84 -4.85 121.76 123.96 1ruk s ALA 88 Ca 0.76 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 53.18 1ruk s ALA 88 Cb -0.41 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1ruk s ALA 88 CO 0.33 -1.00 0.54 0.99 0.00 0.00 0.00 175.76 176.62 1ruk s THR 89 N -2.65 5.09 -0.19 0.00 2.01 -0.51 -1.47 115.64 117.93 1ruk s THR 89 Ca 0.13 1.00 -0.09 0.00 0.31 0.00 0.00 61.69 63.03 1ruk s THR 89 Cb 0.03 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 1ruk s THR 89 CO -0.03 0.16 0.13 -0.31 -0.69 0.00 0.00 174.62 173.88 1ruk s TYR 90 N 1.70 3.42 0.02 4.92 1.51 0.16 -0.43 117.35 128.65 1ruk s TYR 90 Ca 0.25 0.34 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 1ruk s TYR 90 Cb -0.15 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.54 1ruk s TYR 90 CO 0.10 0.34 -0.24 0.71 -1.11 0.00 0.00 175.55 175.34 1ruk s TYR 91 N 0.19 2.16 0.08 2.71 2.02 1.00 -0.84 117.35 124.66 1ruk s TYR 91 Ca 0.09 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 1ruk s TYR 91 Cb -0.11 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1ruk s TYR 91 CO -0.01 0.05 0.21 0.00 -1.57 0.00 0.00 175.55 174.23 1ruk s ALA 93 N -1.55 -1.34 -0.13 0.00 0.00 -0.29 -0.88 121.76 117.57 1ruk s ALA 93 Ca 0.34 1.76 -0.11 0.00 0.00 0.00 0.00 51.96 53.95 1ruk s ALA 93 Cb -0.12 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1ruk s ALA 93 CO 0.27 -0.56 0.24 0.20 0.00 0.00 0.00 175.76 175.92 1ruk s GLY 94 N 2.09 2.21 0.03 0.00 0.00 0.10 -0.01 107.32 111.73 1ruk s GLY 94 Ca -0.06 -0.51 0.06 0.00 0.00 0.00 0.00 44.72 44.21 1ruk s GLY 94 CO -0.15 0.10 -0.19 1.08 0.00 0.00 0.00 173.10 173.95 1ruk s LEU 95 N -0.22 2.13 0.30 0.66 1.02 -0.69 -1.15 118.68 120.73 1ruk s LEU 95 Ca 0.16 -0.46 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 1ruk s LEU 95 Cb -0.13 -0.90 -0.11 0.00 0.02 0.00 0.00 46.19 45.08 1ruk s LEU 95 CO 0.04 0.15 1.45 -0.76 0.02 0.00 0.00 176.35 177.26 1ruk s LEU 96 N -0.98 4.37 0.36 1.79 1.43 -0.00 -0.79 118.68 124.86 1ruk s LEU 96 Ca 0.06 2.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.99 1ruk s LEU 96 Cb -0.08 -3.64 0.67 0.00 0.03 0.00 0.00 46.19 43.16 1ruk s LEU 96 CO 0.01 -0.74 1.99 -0.25 0.23 0.00 0.00 176.35 177.59 1ruk h TRP 97 N 4.27 0.69 -0.15 0.29 2.91 -1.23 -3.17 115.95 119.56 1ruk h TRP 97 Ca -0.48 -0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.37 1ruk h TRP 97 Cb 1.22 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1ruk h TRP 97 CO 0.58 0.48 -0.63 -0.92 -1.03 0.00 0.00 178.44 176.92 1ruk h TYR 98 N 0.72 0.68 0.00 2.65 3.20 -1.91 -3.50 116.97 118.82 1ruk h TYR 98 Ca 0.19 -0.27 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1ruk h TYR 98 Cb 0.01 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1ruk h TYR 98 CO 0.00 1.02 0.00 -0.40 -1.64 0.00 0.00 178.16 177.14 1ruk n ASP 99 N -3.91 -0.19 0.00 -2.11 5.68 -1.20 -5.27 116.55 109.55 1ruk n ASP 99 Ca -0.04 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.33 1ruk n ASP 99 Cb 0.65 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 1ruk n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ruk n GLY 100 N 0.61 2.05 2.32 6.12 0.00 -1.26 -4.98 105.19 110.05 1ruk n GLY 100 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1ruk n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ruk n ALA 100 N -1.13 -0.32 -1.65 4.61 0.00 -1.26 -0.82 120.51 119.94 1ruk n ALA 100 Ca 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 53.44 53.06 1ruk n ALA 100 Cb 0.00 -1.57 -0.06 0.00 0.00 0.00 0.00 19.45 17.81 1ruk n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ruk n GLY 101 N -1.14 0.72 2.79 0.00 0.00 -1.25 -4.75 105.19 101.55 1ruk n GLY 101 Ca -0.15 0.82 -0.25 0.00 0.00 0.00 0.00 46.02 46.43 1ruk n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ruk s SER 102 N 2.11 2.09 0.07 1.61 0.15 -0.30 -4.97 113.70 114.46 1ruk s SER 102 Ca 0.91 -0.34 0.05 0.00 0.70 0.00 0.00 55.95 57.27 1ruk s SER 102 Cb -0.99 -0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.71 1ruk s SER 102 CO 0.56 -0.21 -0.04 0.26 1.20 0.00 0.00 173.24 175.00 1ruk s TRP 103 N 1.88 2.90 1.08 3.44 0.52 -1.26 -0.72 118.94 126.77 1ruk s TRP 103 Ca 0.03 -0.06 -0.18 0.00 0.02 0.00 0.00 56.10 55.91 1ruk s TRP 103 Cb -0.14 -1.52 0.27 0.00 -1.15 0.00 0.00 33.47 30.93 1ruk s TRP 103 CO -0.07 0.44 0.98 0.41 0.02 0.00 0.00 176.95 178.74 1ruk n GLY 104 N 0.82 -2.66 0.25 0.98 0.00 -0.06 -4.66 105.19 99.87 1ruk n GLY 104 Ca -0.13 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.54 1ruk n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1ruk h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.91 -3.46 115.11 111.35 1ruk h GLN 105 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1ruk h GLN 105 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.59 1ruk h GLN 105 CO 0.24 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.48 1ruk n GLY 106 N 0.42 1.32 2.98 0.06 0.00 -1.26 -5.05 105.19 103.65 1ruk n GLY 106 Ca 0.02 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.29 1ruk n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ruk s THR 107 N -1.27 0.93 0.05 2.61 -1.32 -0.02 -4.91 115.64 111.71 1ruk s THR 107 Ca 0.00 -0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 1ruk s THR 107 Cb 0.00 -0.88 -0.05 0.00 -1.51 0.00 0.00 72.50 70.06 1ruk s THR 107 CO 0.00 0.31 1.10 -0.22 -2.21 0.00 0.00 174.62 173.60 1ruk s LEU 108 N 0.75 4.38 -0.18 9.08 2.96 -1.26 -0.67 118.68 133.75 1ruk s LEU 108 Ca -0.13 1.88 0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1ruk s LEU 108 Cb -0.15 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 42.98 1ruk s LEU 108 CO 0.02 -0.36 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.81 1ruk s VAL 109 N 0.90 2.13 -0.23 1.68 1.01 -0.54 -4.49 120.40 120.86 1ruk s VAL 109 Ca 0.55 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1ruk s VAL 109 Cb -0.26 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1ruk s VAL 109 CO 0.29 0.54 0.18 -0.89 0.00 0.00 0.00 175.10 175.22 1ruk s THR 110 N 1.22 5.35 -0.44 3.92 2.01 0.03 -1.99 115.64 125.74 1ruk s THR 110 Ca 0.03 0.24 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 1ruk s THR 110 Cb -0.13 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.90 1ruk s THR 110 CO -0.11 0.36 0.36 -0.69 -0.69 0.00 0.00 174.62 173.85 1ruk s VAL 111 N 0.93 5.22 0.01 3.82 1.01 -1.26 -0.88 120.40 129.25 1ruk s VAL 111 Ca 0.09 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 1ruk s VAL 111 Cb -0.13 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.29 1ruk s VAL 111 CO 0.04 -0.45 0.68 -0.55 0.00 0.00 0.00 175.10 174.81 1ruk s SER 112 N 2.12 -0.60 0.00 3.32 0.15 -0.33 -4.46 113.70 113.89 1ruk s SER 112 Ca 0.05 0.45 0.27 0.00 0.70 0.00 0.00 55.95 57.42 1ruk s SER 112 Cb -0.21 0.54 0.94 0.00 -1.71 0.00 0.00 66.02 65.58 1ruk s SER 112 CO 0.09 -0.71 1.68 0.00 1.20 0.00 0.00 173.24 175.50 1ruk n ALA 113 N 0.45 2.93 -1.60 5.45 0.00 -1.26 -4.17 120.51 122.30 1ruk n ALA 113 Ca -0.17 -0.36 -0.33 0.00 0.00 0.00 0.00 53.44 52.58 1ruk n ALA 113 Cb 0.60 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.87 1ruk n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ruk s ALA 114 N -2.46 2.63 0.18 0.00 0.00 -1.26 -4.98 121.76 115.87 1ruk s ALA 114 Ca 0.27 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.44 1ruk s ALA 114 Cb 0.20 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 1ruk s ALA 114 CO 0.49 -1.01 0.71 -1.59 0.00 0.00 0.00 175.76 174.36 1ruk s LYS 115 N -4.15 4.33 0.23 0.00 -2.85 -1.26 -5.00 119.74 111.04 1ruk s LYS 115 Ca 0.64 0.92 -0.32 0.00 -1.00 0.00 0.00 55.97 56.22 1ruk s LYS 115 Cb -0.17 -3.06 -0.12 0.00 -2.06 0.00 0.00 37.83 32.41 1ruk s LYS 115 CO 0.40 0.50 1.66 2.41 0.10 0.00 0.00 175.35 180.41 1ruk n THR 116 N 1.17 0.35 -3.75 3.79 -1.04 -1.26 -4.69 114.28 108.86 1ruk n THR 116 Ca -0.05 -0.09 -0.17 0.00 -2.04 0.00 0.00 64.05 61.71 1ruk n THR 116 Cb 0.50 -1.91 -0.17 0.00 -1.82 0.00 0.00 70.33 66.93 1ruk n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ruk s THR 117 N 0.74 -0.06 0.40 12.58 2.01 0.76 -4.93 115.64 127.14 1ruk s THR 117 Ca 0.72 0.28 -0.24 0.00 0.31 0.00 0.00 61.69 62.75 1ruk s THR 117 Cb -0.53 -0.11 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1ruk s THR 117 CO 0.38 0.12 1.11 0.00 -0.69 0.00 0.00 174.62 175.55 1ruk s ALA 118 N 1.42 3.10 0.64 7.40 0.00 -1.26 -1.27 121.76 131.79 1ruk s ALA 118 Ca -0.05 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.63 1ruk s ALA 118 Cb -0.13 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1ruk s ALA 118 CO -0.03 -0.40 1.05 -1.25 0.00 0.00 0.00 175.76 175.13 1ruk s PRO 119 N -2.41 3.21 -0.06 0.00 0.04 -1.26 -4.51 135.00 130.00 1ruk s PRO 119 Ca 0.58 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 1ruk s PRO 119 Cb -0.27 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1ruk s PRO 119 CO 0.33 -0.88 0.32 -1.12 0.04 0.00 0.00 177.00 175.69 1ruk s SER 120 N -3.49 6.63 -0.24 6.66 0.01 -0.35 -4.94 113.70 117.99 1ruk s SER 120 Ca 0.59 0.75 -0.01 0.00 1.31 0.00 0.00 55.95 58.60 1ruk s SER 120 Cb -0.14 -2.19 0.03 0.00 0.21 0.00 0.00 66.02 63.93 1ruk s SER 120 CO 0.48 0.30 -0.09 -0.69 0.41 0.00 0.00 173.24 173.65 1ruk s VAL 121 N -0.74 2.66 -0.10 3.43 1.01 -1.26 -0.77 120.40 124.62 1ruk s VAL 121 Ca 0.20 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1ruk s VAL 121 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1ruk s VAL 121 CO 0.09 0.22 -0.06 -0.31 0.00 0.00 0.00 175.10 175.04 1ruk s TYR 122 N 1.29 2.96 0.26 5.22 2.02 0.44 -4.96 117.35 124.58 1ruk s TYR 122 Ca -0.00 -0.14 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 1ruk s TYR 122 Cb -0.17 -1.81 -0.09 0.00 -0.40 0.00 0.00 41.96 39.49 1ruk s TYR 122 CO -0.06 0.16 0.99 -1.25 -1.57 0.00 0.00 175.55 173.82 1ruk s PRO 123 N -0.31 4.76 -0.48 -1.71 0.04 -1.26 -1.04 135.00 135.00 1ruk s PRO 123 Ca 0.05 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 1ruk s PRO 123 Cb -0.13 -3.20 0.13 0.00 0.04 0.00 0.00 34.50 31.34 1ruk s PRO 123 CO 0.02 0.40 0.31 -0.51 0.04 0.00 0.00 177.00 177.26 1ruk s LEU 124 N -1.35 5.45 -0.04 -3.56 1.43 0.58 -4.89 118.68 116.28 1ruk s LEU 124 Ca 0.43 -2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 51.23 1ruk s LEU 124 Cb -0.27 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 1ruk s LEU 124 CO 0.34 -0.56 0.32 0.00 0.23 0.00 0.00 176.35 176.68 1ruk s ALA 125 N 0.95 3.75 0.61 4.21 0.00 -1.26 -1.27 121.76 128.75 1ruk s ALA 125 Ca 0.09 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 1ruk s ALA 125 Cb -0.23 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1ruk s ALA 125 CO -0.03 0.52 1.12 -1.25 0.00 0.00 0.00 175.76 176.11 1ruk s PRO 126 N -1.03 3.04 0.57 0.00 0.04 -1.26 -4.89 135.00 131.47 1ruk s PRO 126 Ca 0.21 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 1ruk s PRO 126 Cb -0.15 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1ruk s PRO 126 CO 0.10 -1.07 1.08 0.14 0.04 0.00 0.00 177.00 177.29 1ruk s VAL 127 N -2.11 3.57 0.24 -0.36 -7.23 -1.26 -4.50 120.40 108.75 1ruk s VAL 127 Ca 0.69 0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 61.64 1ruk s VAL 127 Cb -0.22 -3.33 0.21 0.00 0.56 0.00 0.00 36.38 33.61 1ruk s VAL 127 CO 0.35 -0.34 1.70 0.00 -0.31 0.00 0.00 175.10 176.50 1ruk h GLY 129 N 0.30 0.00 -2.70 0.00 0.00 -2.04 -2.28 103.07 96.35 1ruk h GLY 129 Ca 0.39 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.55 1ruk h GLY 129 CO -0.47 0.00 0.13 1.34 0.00 0.00 0.00 176.54 177.55 1ruk n ASP 130 N -2.63 3.91 -0.56 0.19 2.03 -0.44 -4.38 116.55 114.67 1ruk n ASP 130 Ca -0.01 -3.33 0.06 0.00 0.52 0.00 0.00 54.79 52.03 1ruk n ASP 130 Cb 0.14 -0.67 0.09 0.00 -0.72 0.00 0.00 41.12 39.96 1ruk n ASP 130 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ruk n THR 133 N -0.57 0.34 -0.13 5.18 -2.24 -0.86 -4.62 114.28 111.38 1ruk n THR 133 Ca 0.35 -0.67 0.10 0.00 -2.27 0.00 0.00 64.05 61.56 1ruk n THR 133 Cb 1.18 1.00 0.25 0.00 -2.10 0.00 0.00 70.33 70.66 1ruk n THR 133 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ruk n THR 134 N 0.67 0.84 -2.34 4.28 -2.24 -1.26 -4.93 114.28 109.29 1ruk n THR 134 Ca 0.09 -0.92 -0.24 0.00 -2.27 0.00 0.00 64.05 60.71 1ruk n THR 134 Cb 0.35 0.65 0.14 0.00 -2.10 0.00 0.00 70.33 69.38 1ruk n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ruk n GLY 135 N 1.34 -0.11 0.14 3.38 0.00 -1.26 -5.02 105.19 103.66 1ruk n GLY 135 Ca 0.20 -1.91 0.03 0.00 0.00 0.00 0.00 46.02 44.33 1ruk n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ruk h SER 136 N -0.96 0.00 -2.39 1.61 4.64 -1.97 -3.41 113.55 111.07 1ruk h SER 136 Ca -0.35 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.36 1ruk h SER 136 Cb 1.15 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.10 1ruk h SER 136 CO 0.32 0.50 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.58 1ruk s SER 137 N -6.46 3.65 0.01 4.97 0.01 -1.26 0.59 113.70 115.20 1ruk s SER 137 Ca 0.04 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1ruk s SER 137 Cb 0.08 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1ruk s SER 137 CO 0.74 0.05 -0.01 0.54 0.41 0.00 0.00 173.24 174.97 1ruk s VAL 138 N -2.34 0.06 -0.11 3.43 0.11 0.31 -4.63 120.40 117.23 1ruk s VAL 138 Ca 0.28 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 1ruk s VAL 138 Cb -0.06 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1ruk s VAL 138 CO 0.14 -0.12 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.75 1ruk s THR 139 N -0.39 2.86 0.40 5.04 2.01 -1.26 -1.13 115.64 123.17 1ruk s THR 139 Ca -0.04 -0.74 0.05 0.00 0.31 0.00 0.00 61.69 61.27 1ruk s THR 139 Cb -0.03 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 1ruk s THR 139 CO -0.00 0.54 0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 1ruk s LEU 140 N 0.14 2.55 0.00 4.42 1.02 -0.23 -4.38 118.68 122.20 1ruk s LEU 140 Ca -0.08 -1.43 -0.16 0.00 0.02 0.00 0.00 54.13 52.47 1ruk s LEU 140 Cb -0.15 -0.69 0.06 0.00 0.02 0.00 0.00 46.19 45.43 1ruk s LEU 140 CO 0.05 -0.58 0.82 0.61 0.02 0.00 0.00 176.35 177.26 1ruk n GLY 141 N -0.93 0.89 3.09 -3.19 0.00 -0.40 -0.77 105.19 103.88 1ruk n GLY 141 Ca -0.06 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 1ruk n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ruk s LEU 143 N 0.56 2.53 -0.41 0.00 2.96 -0.20 -1.32 118.68 122.80 1ruk s LEU 143 Ca -0.04 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 1ruk s LEU 143 Cb -0.05 -1.62 0.07 0.00 0.50 0.00 0.00 46.19 45.09 1ruk s LEU 143 CO -0.03 -0.01 0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 1ruk s VAL 144 N 1.38 4.30 0.01 1.68 1.01 0.11 -0.42 120.40 128.46 1ruk s VAL 144 Ca 0.05 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.82 1ruk s VAL 144 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1ruk s VAL 144 CO -0.08 -0.46 -0.25 -0.75 0.00 0.00 0.00 175.10 173.56 1ruk s LYS 145 N 1.45 1.91 0.00 2.72 2.20 0.05 -0.78 119.74 127.30 1ruk s LYS 145 Ca 0.03 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 54.65 1ruk s LYS 145 Cb -0.22 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1ruk s LYS 145 CO 0.03 0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 1ruk n GLY 146 N 2.15 0.80 3.58 5.54 0.00 0.20 -1.21 105.19 116.26 1ruk n GLY 146 Ca -0.16 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.92 1ruk n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ruk s TYR 147 N -2.61 2.52 -0.25 1.61 1.13 -0.94 -4.34 117.35 114.46 1ruk s TYR 147 Ca 0.00 -0.33 -0.26 0.00 -1.41 0.00 0.00 57.07 55.07 1ruk s TYR 147 Cb 0.00 -1.23 0.08 0.00 -1.10 0.00 0.00 41.96 39.70 1ruk s TYR 147 CO 0.00 0.60 0.75 0.12 -2.51 0.00 0.00 175.55 174.51 1ruk s PHE 148 N -2.45 -0.74 0.63 -3.49 5.36 -0.40 -0.37 117.98 116.52 1ruk s PHE 148 Ca 0.32 1.76 -0.06 0.00 -0.96 0.00 0.00 56.93 58.00 1ruk s PHE 148 Cb -0.04 0.29 0.14 0.00 -0.34 0.00 0.00 43.02 43.07 1ruk s PHE 148 CO 0.18 -0.39 0.87 -0.35 -1.46 0.00 0.00 175.22 174.07 1ruk n PRO 149 N 2.45 -0.43 -1.05 10.12 -0.04 -1.26 -0.17 135.00 144.62 1ruk n PRO 149 Ca -0.14 -1.79 -0.31 0.00 -0.04 0.00 0.00 63.50 61.21 1ruk n PRO 149 Cb 0.55 -0.75 0.12 0.00 -0.04 0.00 0.00 33.50 33.39 1ruk n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ruk s GLU 150 N -4.78 1.71 0.46 0.54 0.41 -1.26 -4.74 118.70 111.04 1ruk s GLU 150 Ca 0.53 1.26 0.08 0.00 -0.41 0.00 0.00 54.97 56.43 1ruk s GLU 150 Cb -0.02 -1.83 0.03 0.00 -1.78 0.00 0.00 34.13 30.53 1ruk s GLU 150 CO 0.36 -2.06 0.58 -1.25 -0.49 0.00 0.00 175.26 172.40 1ruk s PRO 151 N -4.81 2.62 0.24 0.39 0.04 -1.26 -4.95 135.00 127.26 1ruk s PRO 151 Ca 0.63 -1.43 0.09 0.00 0.04 0.00 0.00 61.00 60.33 1ruk s PRO 151 Cb -0.19 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1ruk s PRO 151 CO 0.57 -0.42 0.00 0.14 0.04 0.00 0.00 177.00 177.33 1ruk s VAL 152 N -2.47 3.55 0.03 -0.36 -7.23 -1.26 -4.39 120.40 108.26 1ruk s VAL 152 Ca 0.54 -1.75 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 1ruk s VAL 152 Cb -0.07 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1ruk s VAL 152 CO 0.33 -0.30 0.00 0.42 -0.31 0.00 0.00 175.10 175.25 1ruk s THR 153 N -2.13 4.13 -0.04 5.32 -4.23 -0.33 -4.97 115.64 113.39 1ruk s THR 153 Ca 0.30 -0.71 -0.00 0.00 -1.18 0.00 0.00 61.69 60.10 1ruk s THR 153 Cb -0.07 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.91 1ruk s THR 153 CO 0.20 0.30 0.01 -0.22 -0.54 0.00 0.00 174.62 174.36 1ruk s LEU 154 N -1.79 0.96 0.32 4.79 0.20 -1.26 -1.38 118.68 120.53 1ruk s LEU 154 Ca 0.22 -0.01 0.04 0.00 0.69 0.00 0.00 54.13 55.06 1ruk s LEU 154 Cb -0.12 -0.23 -0.06 0.00 -0.43 0.00 0.00 46.19 45.35 1ruk s LEU 154 CO 0.13 -0.13 0.05 0.42 -0.29 0.00 0.00 176.35 176.52 1ruk s THR 156 N 1.29 1.24 -0.09 3.68 -4.23 -0.38 -4.98 115.64 112.17 1ruk s THR 156 Ca -0.06 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.48 1ruk s THR 156 Cb -0.13 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 1ruk s THR 156 CO -0.02 -0.03 -0.24 0.26 -0.54 0.00 0.00 174.62 174.04 1ruk s TRP 157 N -3.26 2.54 -1.46 3.99 0.52 -1.26 -0.47 118.94 119.53 1ruk s TRP 157 Ca 0.36 -0.96 -0.01 0.00 0.02 0.00 0.00 56.10 55.51 1ruk s TRP 157 Cb 0.08 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.73 1ruk s TRP 157 CO 0.15 -0.36 0.31 0.09 0.02 0.00 0.00 176.95 177.16 1ruk n ASN 162 N 3.38 -0.07 -2.06 2.95 3.02 -0.11 -0.84 115.26 121.53 1ruk n ASN 162 Ca -0.19 -1.09 -0.21 0.00 -0.03 0.00 0.00 54.58 53.07 1ruk n ASN 162 Cb 0.53 -2.61 -0.04 0.00 -0.61 0.00 0.00 39.78 37.04 1ruk n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ruk n SER 163 N -2.94 -5.77 0.00 6.41 7.64 -1.26 -1.48 113.62 116.21 1ruk n SER 163 Ca -0.30 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1ruk n SER 163 Cb 0.68 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1ruk n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ruk n GLY 164 N -0.75 0.51 0.06 0.23 0.00 -0.02 -4.92 105.19 100.29 1ruk n GLY 164 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1ruk n GLY 164 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ruk n SER 165 N 0.00 0.47 -4.20 1.61 3.41 -0.55 -4.32 113.62 110.04 1ruk n SER 165 Ca 0.00 0.48 -0.39 0.00 -0.26 0.00 0.00 58.87 58.70 1ruk n SER 165 Cb 0.00 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.28 1ruk n SER 165 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1ruk s LEU 166 N -3.84 5.36 0.00 1.04 2.96 -1.05 -4.88 118.68 118.28 1ruk s LEU 166 Ca 0.12 -1.80 0.00 0.00 -0.22 0.00 0.00 54.13 52.23 1ruk s LEU 166 Cb 0.15 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.90 1ruk s LEU 166 CO 0.58 -0.59 0.00 -1.54 -1.32 0.00 0.00 176.35 173.48 1ruk n SER 167 N 4.82 2.81 -4.78 3.68 3.41 -1.26 -4.19 113.62 118.11 1ruk n SER 167 Ca -0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 1ruk n SER 167 Cb 0.42 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.78 1ruk n SER 167 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ruk s SER 168 N -1.57 6.40 -0.79 4.04 0.01 -1.26 -3.77 113.70 116.77 1ruk s SER 168 Ca 0.00 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1ruk s SER 168 Cb 0.00 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1ruk s SER 168 CO 0.00 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1ruk n GLY 169 N 0.29 0.93 3.80 3.44 0.00 -1.26 -4.70 105.19 107.69 1ruk n GLY 169 Ca 0.07 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 1ruk n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ruk s VAL 171 N -2.28 4.94 -0.16 1.61 1.01 -1.25 -1.37 120.40 122.91 1ruk s VAL 171 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1ruk s VAL 171 Cb 0.00 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ruk s VAL 171 CO 0.00 0.54 -0.05 -1.00 0.00 0.00 0.00 175.10 174.59 1ruk s HIS 172 N -1.04 1.57 -0.23 5.22 3.76 -0.38 -5.00 115.29 119.20 1ruk s HIS 172 Ca 0.17 -0.98 -0.04 0.00 -0.15 0.00 0.00 55.06 54.06 1ruk s HIS 172 Cb -0.12 -1.26 -0.00 0.00 1.11 0.00 0.00 32.58 32.31 1ruk s HIS 172 CO 0.06 -0.59 -0.03 0.99 -0.85 0.00 0.00 174.74 174.32 1ruk s THR 173 N 1.68 3.38 0.26 1.30 2.01 -1.26 -0.57 115.64 122.43 1ruk s THR 173 Ca 0.01 -0.58 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 1ruk s THR 173 Cb -0.15 -2.58 -0.07 0.00 0.01 0.00 0.00 72.50 69.70 1ruk s THR 173 CO -0.08 0.36 0.60 -0.36 -0.69 0.00 0.00 174.62 174.45 1ruk s PHE 174 N 1.46 3.42 0.43 4.92 0.40 -0.44 -5.01 117.98 123.16 1ruk s PHE 174 Ca 0.05 0.95 -0.25 0.00 -0.60 0.00 0.00 56.93 57.07 1ruk s PHE 174 Cb -0.15 -2.32 -0.09 0.00 0.51 0.00 0.00 43.02 40.96 1ruk s PHE 174 CO -0.03 0.21 1.31 -2.30 0.70 0.00 0.00 175.22 175.11 1ruk n PRO 175 N -0.27 2.01 -1.46 0.24 -0.02 -1.26 -4.42 135.00 129.82 1ruk n PRO 175 Ca 0.01 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 1ruk n PRO 175 Cb 0.53 -2.44 0.08 0.00 -0.02 0.00 0.00 33.50 31.64 1ruk n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ruk s ALA 176 N -1.20 2.30 -0.04 3.55 0.00 -1.26 -4.78 121.76 120.34 1ruk s ALA 176 Ca 0.61 0.45 0.07 0.00 0.00 0.00 0.00 51.96 53.08 1ruk s ALA 176 Cb -0.49 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.30 1ruk s ALA 176 CO 0.58 -1.61 -0.24 0.08 0.00 0.00 0.00 175.76 174.57 1ruk s VAL 177 N -2.58 1.90 -0.21 0.00 1.01 0.22 -4.93 120.40 115.81 1ruk s VAL 177 Ca 0.65 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1ruk s VAL 177 Cb -0.20 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1ruk s VAL 177 CO 0.49 0.53 0.11 -0.22 0.00 0.00 0.00 175.10 176.01 1ruk s LEU 178 N -0.34 3.94 -0.07 3.92 2.96 -1.26 -1.03 118.68 126.79 1ruk s LEU 178 Ca 0.03 0.08 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 1ruk s LEU 178 Cb -0.11 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1ruk s LEU 178 CO 0.01 0.11 0.17 -1.58 -1.32 0.00 0.00 176.35 173.74 1ruk s GLN 179 N 0.75 0.14 -1.53 1.98 0.74 0.13 -4.91 119.66 116.95 1ruk s GLN 179 Ca 0.06 0.37 -0.09 0.00 0.05 0.00 0.00 55.36 55.75 1ruk s GLN 179 Cb -0.13 -0.11 0.07 0.00 1.10 0.00 0.00 33.01 33.94 1ruk s GLN 179 CO 0.02 -0.13 0.65 0.43 -0.55 0.00 0.00 175.29 175.70 1ruk n SER 180 N 3.94 -2.11 -1.30 6.67 7.64 -1.26 -1.88 113.62 125.32 1ruk n SER 180 Ca -0.23 -0.97 -0.17 0.00 1.01 0.00 0.00 58.87 58.52 1ruk n SER 180 Cb 0.54 -3.12 -0.07 0.00 -1.01 0.00 0.00 64.21 60.54 1ruk n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ruk n ASP 183 N -2.85 -5.02 -4.11 6.43 8.00 -1.26 -4.98 116.55 112.77 1ruk n ASP 183 Ca -0.12 0.40 -0.20 0.00 0.71 0.00 0.00 54.79 55.59 1ruk n ASP 183 Cb 0.59 -4.00 -0.14 0.00 -0.02 0.00 0.00 41.12 37.56 1ruk n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ruk s LEU 184 N -3.84 2.13 0.13 0.64 1.43 -0.79 -4.72 118.68 113.66 1ruk s LEU 184 Ca 0.00 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1ruk s LEU 184 Cb 0.00 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1ruk s LEU 184 CO 0.00 0.05 0.21 -0.31 0.23 0.00 0.00 176.35 176.53 1ruk s TYR 185 N -0.68 3.37 -0.02 0.29 2.02 0.50 -0.70 117.35 122.12 1ruk s TYR 185 Ca 0.02 0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 1ruk s TYR 185 Cb -0.07 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1ruk s TYR 185 CO 0.01 0.53 -0.10 0.99 -1.57 0.00 0.00 175.55 175.41 1ruk s THR 186 N -1.68 0.82 0.04 -0.71 2.01 -0.20 -0.63 115.64 115.29 1ruk s THR 186 Ca 0.33 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1ruk s THR 186 Cb -0.11 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1ruk s THR 186 CO 0.26 0.25 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.14 1ruk s LEU 187 N 0.04 2.23 0.16 4.42 0.20 0.04 -0.61 118.68 125.15 1ruk s LEU 187 Ca -0.01 -0.50 0.06 0.00 0.69 0.00 0.00 54.13 54.37 1ruk s LEU 187 Cb -0.07 -0.23 -0.04 0.00 -0.43 0.00 0.00 46.19 45.41 1ruk s LEU 187 CO 0.00 -0.15 -0.12 -0.94 -0.29 0.00 0.00 176.35 174.85 1ruk s SER 188 N -1.42 2.02 0.00 3.68 1.04 -1.26 0.05 113.70 117.82 1ruk s SER 188 Ca -0.07 -0.97 -0.00 0.00 0.48 0.00 0.00 55.95 55.38 1ruk s SER 188 Cb -0.09 -0.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 1ruk s SER 188 CO 0.01 -0.25 0.00 -0.55 0.98 0.00 0.00 173.24 173.42 1ruk s SER 189 N -3.06 0.01 0.16 7.02 0.15 -0.44 -1.33 113.70 116.22 1ruk s SER 189 Ca 0.16 -0.01 0.08 0.00 0.70 0.00 0.00 55.95 56.88 1ruk s SER 189 Cb 0.00 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 1ruk s SER 189 CO 0.03 -0.01 -0.04 -0.94 1.20 0.00 0.00 173.24 173.48 1ruk s SER 190 N -0.04 4.60 0.00 5.45 1.04 0.27 -1.11 113.70 123.90 1ruk s SER 190 Ca -0.00 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1ruk s SER 190 Cb -0.00 -0.92 -0.00 0.00 0.10 0.00 0.00 66.02 65.19 1ruk s SER 190 CO -0.00 0.11 -0.02 0.54 0.98 0.00 0.00 173.24 174.85 1ruk s VAL 191 N -1.63 0.18 -0.09 5.02 0.11 0.05 -1.25 120.40 122.79 1ruk s VAL 191 Ca 0.26 -0.19 0.04 0.00 -2.93 0.00 0.00 61.98 59.16 1ruk s VAL 191 Cb -0.10 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1ruk s VAL 191 CO 0.17 -0.01 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.84 1ruk s THR 192 N -0.20 1.78 0.17 5.04 2.01 -0.47 -1.07 115.64 122.90 1ruk s THR 192 Ca -0.01 -0.86 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1ruk s THR 192 Cb -0.02 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 1ruk s THR 192 CO -0.00 0.50 -0.03 0.68 -0.69 0.00 0.00 174.62 175.08 1ruk s VAL 193 N 0.39 0.84 0.20 3.82 -7.23 -0.28 -4.64 120.40 113.50 1ruk s VAL 193 Ca -0.16 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 57.69 1ruk s VAL 193 Cb -0.17 -2.06 -0.12 0.00 0.56 0.00 0.00 36.38 34.59 1ruk s VAL 193 CO 0.07 -0.54 1.73 -0.89 -0.31 0.00 0.00 175.10 175.16 1ruk s THR 194 N -3.54 2.08 0.27 5.32 2.01 -1.26 -0.53 115.64 119.98 1ruk s THR 194 Ca 0.22 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 1ruk s THR 194 Cb 0.05 -3.02 0.16 0.00 0.01 0.00 0.00 72.50 69.70 1ruk s THR 194 CO 0.03 0.00 1.82 -1.28 -0.69 0.00 0.00 174.62 174.51 1ruk h SER 195 N 6.93 0.85 0.20 3.53 0.87 -0.09 -1.25 113.55 124.59 1ruk h SER 195 Ca -0.43 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 1ruk h SER 195 Cb 1.20 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1ruk h SER 195 CO 0.96 0.80 0.00 0.77 -0.53 0.00 0.00 176.83 178.82 1ruk h SER 196 N 0.89 0.00 0.84 6.23 4.64 -1.86 -1.65 113.55 122.64 1ruk h SER 196 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ruk h SER 196 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ruk h SER 196 CO -0.01 0.00 -0.08 0.35 -0.87 0.00 0.00 176.83 176.22 1ruk n THR 198 N -2.44 0.00 -4.93 2.95 -2.24 -0.47 -4.76 114.28 102.38 1ruk n THR 198 Ca -0.01 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1ruk n THR 198 Cb 0.09 -0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 67.80 1ruk n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1ruk s TRP 199 N -2.92 1.80 -0.97 4.78 -0.00 -0.62 -0.32 118.94 120.69 1ruk s TRP 199 Ca 0.16 -0.44 0.10 0.00 -0.00 0.00 0.00 56.10 55.92 1ruk s TRP 199 Cb 0.19 -1.18 0.45 0.00 -0.00 0.00 0.00 33.47 32.93 1ruk s TRP 199 CO 0.54 -0.10 1.26 -0.35 -0.00 0.00 0.00 176.95 178.30 1ruk n PRO 200 N 2.86 2.92 -0.12 5.86 -0.04 -1.26 -4.95 135.00 140.27 1ruk n PRO 200 Ca -0.17 -1.76 -0.03 0.00 -0.04 0.00 0.00 63.50 61.50 1ruk n PRO 200 Cb 0.53 -1.78 0.19 0.00 -0.04 0.00 0.00 33.50 32.41 1ruk n PRO 200 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ruk h SER 202 N 2.40 0.75 -3.45 3.54 0.02 -1.78 -3.34 113.55 111.70 1ruk h SER 202 Ca 0.00 -0.14 -0.72 0.00 -0.84 0.00 0.00 61.79 60.08 1ruk h SER 202 Cb 1.14 -0.20 -0.22 0.00 0.14 0.00 0.00 62.40 63.26 1ruk h SER 202 CO 0.21 0.76 -0.41 -1.10 -1.14 0.00 0.00 176.83 175.14 1ruk s GLN 203 N -5.16 2.93 0.74 3.45 -0.21 0.56 -5.07 119.66 116.89 1ruk s GLN 203 Ca -0.10 -1.16 -0.13 0.00 0.02 0.00 0.00 55.36 53.99 1ruk s GLN 203 Cb 0.15 -3.98 0.04 0.00 1.00 0.00 0.00 33.01 30.23 1ruk s GLN 203 CO 0.80 -0.84 1.14 -1.54 -2.12 0.00 0.00 175.29 172.72 1ruk s SER 204 N 1.97 4.42 -0.07 5.90 1.04 -1.25 -4.65 113.70 121.05 1ruk s SER 204 Ca 0.04 2.08 0.01 0.00 0.48 0.00 0.00 55.95 58.56 1ruk s SER 204 Cb -0.21 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.37 1ruk s SER 204 CO 0.08 -2.10 -0.08 -0.63 0.98 0.00 0.00 173.24 171.49 1ruk s ILE 205 N -2.42 0.87 -0.03 -1.02 1.01 -1.26 -4.98 121.20 113.37 1ruk s ILE 205 Ca 0.67 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.08 1ruk s ILE 205 Cb -0.22 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 1ruk s ILE 205 CO 0.48 0.31 -0.15 -0.89 0.00 0.00 0.00 174.94 174.69 1ruk s THR 206 N 1.04 1.27 -0.19 2.92 2.01 -1.26 -0.67 115.64 120.76 1ruk s THR 206 Ca -0.08 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.15 1ruk s THR 206 Cb -0.14 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 1ruk s THR 206 CO -0.00 0.37 0.24 0.00 -0.69 0.00 0.00 174.62 174.54 1ruk s ASN 209 N 0.64 5.26 -0.06 0.00 -0.87 0.37 -0.73 114.94 119.55 1ruk s ASN 209 Ca 0.13 -0.55 0.05 0.00 -1.57 0.00 0.00 52.86 50.92 1ruk s ASN 209 Cb -0.13 -1.93 -0.02 0.00 -0.02 0.00 0.00 41.25 39.16 1ruk s ASN 209 CO 0.03 -0.16 -0.21 -0.69 -2.57 0.00 0.00 177.10 173.50 1ruk s VAL 210 N 1.56 2.43 -0.01 1.60 1.01 0.28 -1.25 120.40 126.02 1ruk s VAL 210 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1ruk s VAL 210 Cb -0.17 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ruk s VAL 210 CO 0.04 0.57 -0.18 0.00 0.00 0.00 0.00 175.10 175.53 1ruk s ALA 211 N -0.24 1.47 -0.50 5.51 0.00 -0.48 -0.44 121.76 127.09 1ruk s ALA 211 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.23 1ruk s ALA 211 Cb -0.13 -0.38 0.14 0.00 0.00 0.00 0.00 23.12 22.75 1ruk s ALA 211 CO 0.03 0.36 0.28 -1.58 0.00 0.00 0.00 175.76 174.84 1ruk s HIS 212 N -0.41 2.68 0.31 0.00 2.46 0.27 -1.19 115.29 119.42 1ruk s HIS 212 Ca 0.07 -2.87 0.05 0.00 0.47 0.00 0.00 55.06 52.77 1ruk s HIS 212 Cb -0.07 -2.39 0.68 0.00 -0.13 0.00 0.00 32.58 30.67 1ruk s HIS 212 CO -0.01 -0.74 1.84 -1.35 -2.47 0.00 0.00 174.74 172.01 1ruk h PRO 213 N 6.46 0.83 -0.08 2.88 0.11 -1.82 -1.66 132.00 138.72 1ruk h PRO 213 Ca -0.02 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.06 1ruk h PRO 213 Cb 0.89 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1ruk h PRO 213 CO 0.60 0.55 0.06 0.00 -0.21 0.00 0.00 178.00 179.00 1ruk h ALA 214 N 1.57 2.01 -0.31 -0.75 0.00 -1.92 -1.41 119.26 118.45 1ruk h ALA 214 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1ruk h ALA 214 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ruk h ALA 214 CO -0.26 -0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.76 1ruk n SER 215 N -4.41 2.88 -2.86 0.00 3.41 -0.69 -4.98 113.62 106.97 1ruk n SER 215 Ca -0.01 -1.87 -0.21 0.00 -0.26 0.00 0.00 58.87 56.51 1ruk n SER 215 Cb 0.17 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1ruk n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ruk n SER 216 N 0.81 -5.65 -4.48 4.04 7.64 -0.53 -4.97 113.62 110.47 1ruk n SER 216 Ca 0.13 -0.20 -0.33 0.00 1.01 0.00 0.00 58.87 59.48 1ruk n SER 216 Cb 0.44 -4.62 -0.13 0.00 -1.01 0.00 0.00 64.21 58.89 1ruk n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ruk s THR 217 N -3.08 3.34 0.02 0.44 2.01 -1.14 -5.00 115.64 112.23 1ruk s THR 217 Ca 0.22 -0.60 0.06 0.00 0.31 0.00 0.00 61.69 61.68 1ruk s THR 217 Cb -0.10 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1ruk s THR 217 CO 0.27 0.56 -0.17 -0.54 -0.69 0.00 0.00 174.62 174.05 1ruk s LYS 218 N -0.32 1.23 -0.02 4.92 1.02 -1.26 -0.57 119.74 124.74 1ruk s LYS 218 Ca 0.04 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.31 1ruk s LYS 218 Cb -0.13 -1.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.92 1ruk s LYS 218 CO 0.02 0.33 -0.14 0.08 -0.92 0.00 0.00 175.35 174.72 1ruk s VAL 219 N -0.66 1.16 -0.35 3.17 1.01 0.42 -5.01 120.40 120.14 1ruk s VAL 219 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ruk s VAL 219 Cb -0.08 -0.98 0.10 0.00 0.00 0.00 0.00 36.38 35.43 1ruk s VAL 219 CO 0.01 0.33 0.07 -1.81 0.00 0.00 0.00 175.10 173.70 1ruk s ASP 220 N -0.15 4.64 -0.38 3.32 1.01 -1.26 -0.56 116.67 123.30 1ruk s ASP 220 Ca 0.02 -2.16 -0.11 0.00 0.71 0.00 0.00 52.55 51.00 1ruk s ASP 220 Cb -0.08 -1.54 0.03 0.00 1.01 0.00 0.00 42.92 42.35 1ruk s ASP 220 CO 0.00 -0.37 0.22 -0.75 0.21 0.00 0.00 175.17 174.48 1ruk s LYS 221 N 0.89 2.80 0.11 8.23 2.47 0.09 -4.92 119.74 129.41 1ruk s LYS 221 Ca 0.11 -1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 53.09 1ruk s LYS 221 Cb -0.19 -3.75 -0.06 0.00 -1.46 0.00 0.00 37.83 32.36 1ruk s LYS 221 CO -0.09 -0.74 1.16 0.21 0.16 0.00 0.00 175.35 176.04 1ruk s LYS 222 N 1.54 4.50 -0.29 4.03 2.20 -1.26 -0.92 119.74 129.54 1ruk s LYS 222 Ca 0.02 1.75 -0.27 0.00 -0.36 0.00 0.00 55.97 57.11 1ruk s LYS 222 Cb -0.20 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1ruk s LYS 222 CO 0.06 -0.12 0.94 0.42 -0.36 0.00 0.00 175.35 176.29 1ruk s ILE 223 N 0.51 4.67 -0.05 5.43 -1.09 0.15 -4.96 121.20 125.87 1ruk s ILE 223 Ca 0.55 1.56 -0.08 0.00 -2.23 0.00 0.00 60.65 60.45 1ruk s ILE 223 Cb -0.29 -4.27 -0.05 0.00 -1.58 0.00 0.00 42.46 36.27 1ruk s ILE 223 CO 0.32 -0.31 0.23 -1.61 -1.23 0.00 0.00 174.94 172.34 1ruk s GLU 226 N 3.25 3.57 0.67 2.79 0.41 -1.26 -4.67 118.70 123.47 1ruk s GLU 226 Ca 0.39 -0.02 -0.17 0.00 -0.41 0.00 0.00 54.97 54.76 1ruk s GLU 226 Cb -0.14 -3.16 -0.00 0.00 -1.78 0.00 0.00 34.13 29.06 1ruk s GLU 226 CO 0.12 0.72 1.19 -2.30 -0.49 0.00 0.00 175.26 174.50 1ruk n PRO 227 N 1.62 0.87 -2.15 0.39 -0.02 -1.26 -4.73 135.00 129.72 1ruk n PRO 227 Ca -0.16 0.36 -0.35 0.00 -2.02 0.00 0.00 63.50 61.32 1ruk n PRO 227 Cb 0.54 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1ruk n PRO 227 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ruk s ARG 228 N -3.38 3.19 0.03 -0.52 0.52 -1.26 -4.80 118.95 112.72 1ruk s ARG 228 Ca 0.79 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.71 1ruk s ARG 228 Cb -0.37 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1ruk s ARG 228 CO 0.44 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 175.16 1ruk n GLY 229 N 0.31 -3.69 3.76 -3.53 0.00 -1.26 -4.94 105.19 95.84 1ruk n GLY 229 Ca 0.13 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 1ruk n GLY 229 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ruk s PRO 230 N -0.87 3.60 0.00 1.61 0.02 -1.26 -5.19 135.00 132.91 1ruk s PRO 230 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1ruk s PRO 230 Cb 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1ruk s PRO 230 CO 0.00 -0.87 0.32 0.25 -0.33 0.00 0.00 177.00 176.37