#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tc5 s MET 9 N 0.00 3.54 -0.04 -1.40 1.00 -1.25 -4.43 119.30 116.73 1tc5 s MET 9 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 55.69 55.76 1tc5 s MET 9 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 34.83 32.32 1tc5 s MET 9 CO 0.00 -0.04 -0.19 0.99 0.00 0.00 0.00 175.02 175.78 1tc5 s THR 10 N -2.52 1.55 -0.44 2.05 2.01 -0.65 -4.99 115.64 112.66 1tc5 s THR 10 Ca 0.45 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 1tc5 s THR 10 Cb -0.10 -1.32 0.06 0.00 0.01 0.00 0.00 72.50 71.15 1tc5 s THR 10 CO 0.40 0.44 0.33 -0.63 -0.69 0.00 0.00 174.62 174.47 1tc5 s ILE 11 N -0.13 5.01 -0.14 1.82 1.01 -0.67 -0.65 121.20 127.45 1tc5 s ILE 11 Ca -0.01 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 1tc5 s ILE 11 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 1tc5 s ILE 11 CO 0.02 -0.48 0.51 -0.60 0.00 0.00 0.00 174.94 174.39 1tc5 s ARG 12 N 1.60 4.29 -0.02 2.79 3.52 -0.28 -1.09 118.95 129.76 1tc5 s ARG 12 Ca 0.04 0.46 0.05 0.00 -0.13 0.00 0.00 55.73 56.15 1tc5 s ARG 12 Cb -0.22 -3.48 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 1tc5 s ARG 12 CO 0.07 0.04 -0.16 0.14 -0.81 0.00 0.00 175.30 174.58 1tc5 s VAL 13 N 1.00 1.26 -0.15 7.11 -7.23 -0.47 -1.40 120.40 120.52 1tc5 s VAL 13 Ca 0.26 -0.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1tc5 s VAL 13 Cb -0.15 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.69 1tc5 s VAL 13 CO 0.10 0.36 0.07 -0.04 -0.31 0.00 0.00 175.10 175.29 1tc5 s MET 14 N -0.28 3.69 -0.09 4.82 1.00 -0.39 -1.56 119.30 126.49 1tc5 s MET 14 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 55.69 55.46 1tc5 s MET 14 Cb -0.07 -3.14 0.01 0.00 0.00 0.00 0.00 34.83 31.62 1tc5 s MET 14 CO -0.00 0.47 -0.16 -0.51 0.00 0.00 0.00 175.02 174.82 1tc5 s LEU 15 N -0.18 1.76 0.00 -0.03 1.43 0.31 -0.84 118.68 121.13 1tc5 s LEU 15 Ca 0.08 -0.40 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1tc5 s LEU 15 Cb -0.12 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 1tc5 s LEU 15 CO 0.01 0.05 -0.14 -1.10 0.23 0.00 0.00 176.35 175.40 1tc5 s GLN 16 N 0.73 1.11 -0.19 1.70 -0.21 -0.25 -1.15 119.66 121.40 1tc5 s GLN 16 Ca -0.12 -0.57 -0.29 0.00 0.02 0.00 0.00 55.36 54.39 1tc5 s GLN 16 Cb -0.16 -1.09 -0.04 0.00 1.00 0.00 0.00 33.01 32.72 1tc5 s GLN 16 CO 0.03 0.29 1.86 0.00 -2.12 0.00 0.00 175.29 175.35 1tc5 s ALA 17 N -0.45 3.12 -0.16 6.09 0.00 0.47 -1.19 121.76 129.63 1tc5 s ALA 17 Ca 0.05 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.58 1tc5 s ALA 17 Cb -0.06 -3.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 1tc5 s ALA 17 CO -0.00 -2.21 0.16 1.41 0.00 0.00 0.00 175.76 175.12 1tc5 s MET 18 N 5.23 3.87 -0.26 0.00 1.75 0.32 -4.47 119.30 125.73 1tc5 s MET 18 Ca 0.83 -0.14 -0.15 0.00 -1.25 0.00 0.00 55.69 54.98 1tc5 s MET 18 Cb -0.30 -3.32 -0.13 0.00 2.84 0.00 0.00 34.83 33.93 1tc5 s MET 18 CO 0.34 0.51 -0.27 -3.47 -0.65 0.00 0.00 175.02 171.47 1tc5 n ASP 19 N 2.81 1.94 -3.92 1.11 2.03 0.11 -1.10 116.55 119.54 1tc5 n ASP 19 Ca -0.17 0.35 -0.10 0.00 0.52 0.00 0.00 54.79 55.39 1tc5 n ASP 19 Cb 0.53 -0.84 -0.12 0.00 -0.72 0.00 0.00 41.12 39.97 1tc5 n ASP 19 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1tc5 s GLN 20 N -2.51 0.21 -0.00 -0.67 -1.52 -0.94 -1.18 119.66 113.05 1tc5 s GLN 20 Ca -0.37 -0.32 -0.03 0.00 -1.95 0.00 0.00 55.36 52.69 1tc5 s GLN 20 Cb 0.13 0.08 -0.00 0.00 -0.22 0.00 0.00 33.01 32.99 1tc5 s GLN 20 CO 0.50 -0.04 0.06 0.20 -0.25 0.00 0.00 175.29 175.77 1tc5 s GLY 21 N -0.84 0.08 -0.09 3.09 0.00 -0.21 -1.01 107.32 108.34 1tc5 s GLY 21 Ca -0.09 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.46 1tc5 s GLY 21 CO -0.00 -0.27 -0.13 0.30 0.00 0.00 0.00 173.10 173.00 1tc5 s HIS 22 N -0.99 1.71 -0.11 1.90 3.76 0.20 -0.93 115.29 120.82 1tc5 s HIS 22 Ca -0.11 -0.76 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 1tc5 s HIS 22 Cb -0.06 -1.27 0.01 0.00 1.11 0.00 0.00 32.58 32.37 1tc5 s HIS 22 CO 0.00 -0.41 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.13 1tc5 s LEU 23 N 1.00 1.85 -0.08 0.89 2.96 -0.14 -1.03 118.68 124.12 1tc5 s LEU 23 Ca -0.07 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.07 1tc5 s LEU 23 Cb -0.15 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 1tc5 s LEU 23 CO -0.01 0.05 1.23 -0.22 -1.32 0.00 0.00 176.35 176.09 1tc5 s LEU 24 N 0.81 4.25 -0.00 -0.68 2.96 0.40 -1.11 118.68 125.32 1tc5 s LEU 24 Ca -0.10 1.80 0.07 0.00 -0.22 0.00 0.00 54.13 55.69 1tc5 s LEU 24 Cb -0.16 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1tc5 s LEU 24 CO 0.01 -0.64 0.29 1.33 -1.32 0.00 0.00 176.35 176.02 1tc5 n VAL 25 N 4.83 0.00 -0.46 1.68 0.24 -0.37 -4.37 118.33 119.87 1tc5 n VAL 25 Ca 0.12 -0.31 0.04 0.00 -2.04 0.00 0.00 64.34 62.15 1tc5 n VAL 25 Cb 0.46 0.92 0.06 0.00 -1.47 0.00 0.00 33.84 33.81 1tc5 n VAL 25 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1tc5 n ASN 26 N -1.25 2.16 0.00 -1.34 6.94 -1.26 -4.67 115.26 115.85 1tc5 n ASN 26 Ca 0.01 -2.47 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 1tc5 n ASN 26 Cb 0.12 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1tc5 n ASN 26 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1tc5 n ASN 27 N -0.90 -1.53 0.00 0.53 3.02 -1.26 -4.76 115.26 110.36 1tc5 n ASN 27 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1tc5 n ASN 27 Cb 0.42 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 1tc5 n ASN 27 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1tc5 n VAL 28 N -2.14 0.00 -1.28 2.41 0.31 -1.26 -5.03 118.33 111.34 1tc5 n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1tc5 n VAL 28 Cb 0.09 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 1tc5 n VAL 28 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1tc5 n ASP 29 N -0.62 0.00 -4.60 4.52 5.75 -1.26 -5.06 116.55 115.28 1tc5 n ASP 29 Ca 0.00 -1.00 -0.41 0.00 -0.01 0.00 0.00 54.79 53.37 1tc5 n ASP 29 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 1tc5 n ASP 29 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1tc5 s LYS 30 N 0.00 3.86 -0.08 0.11 2.20 -1.26 -5.05 119.74 119.52 1tc5 s LYS 30 Ca 0.00 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1tc5 s LYS 30 Cb 0.00 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1tc5 s LYS 30 CO 0.00 -0.65 -0.06 0.71 -0.36 0.00 0.00 175.35 174.99 1tc5 s TYR 31 N 2.74 2.96 0.08 4.03 1.51 -1.26 -1.23 117.35 126.16 1tc5 s TYR 31 Ca 0.27 -0.02 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 1tc5 s TYR 31 Cb -0.15 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 1tc5 s TYR 31 CO 0.13 0.29 0.07 0.14 -1.11 0.00 0.00 175.55 175.07 1tc5 s VAL 32 N -0.66 4.51 0.03 0.71 -7.23 -0.27 -4.88 120.40 112.60 1tc5 s VAL 32 Ca 0.10 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.58 1tc5 s VAL 32 Cb -0.11 -3.17 -0.03 0.00 0.56 0.00 0.00 36.38 33.63 1tc5 s VAL 32 CO 0.02 0.14 -0.21 -0.13 -0.31 0.00 0.00 175.10 174.60 1tc5 s ARG 33 N -2.35 2.04 0.10 4.82 0.52 -1.26 -0.96 118.95 121.85 1tc5 s ARG 33 Ca 0.29 -0.98 0.07 0.00 -0.52 0.00 0.00 55.73 54.58 1tc5 s ARG 33 Cb -0.12 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 1tc5 s ARG 33 CO 0.21 0.54 -0.17 0.00 0.02 0.00 0.00 175.30 175.91 1tc5 s ALA 34 N -0.84 1.52 0.05 2.13 0.00 -0.11 -4.97 121.76 119.55 1tc5 s ALA 34 Ca 0.13 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1tc5 s ALA 34 Cb -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1tc5 s ALA 34 CO 0.03 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1tc5 n GLY 35 N 1.01 1.80 3.76 0.00 0.00 -1.26 -1.04 105.19 109.46 1tc5 n GLY 35 Ca -0.19 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1tc5 n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tc5 s ARG 36 N 4.03 4.34 0.00 1.61 3.52 -0.33 -4.30 118.95 127.81 1tc5 s ARG 36 Ca 0.00 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 1tc5 s ARG 36 Cb 0.00 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1tc5 s ARG 36 CO 0.00 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 1tc5 n GLY 37 N 1.21 -0.54 3.13 8.12 0.00 -0.26 -0.79 105.19 116.07 1tc5 n GLY 37 Ca 0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1tc5 n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tc5 s VAL 38 N -1.99 1.45 -0.22 1.61 1.01 -0.39 -0.52 120.40 121.35 1tc5 s VAL 38 Ca 0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 1tc5 s VAL 38 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1tc5 s VAL 38 CO 0.00 0.42 0.21 -0.32 0.00 0.00 0.00 175.10 175.41 1tc5 s MET 39 N 0.17 4.13 -0.21 2.72 1.75 -0.34 -1.25 119.30 126.28 1tc5 s MET 39 Ca -0.07 -0.14 -0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1tc5 s MET 39 Cb -0.13 -3.50 0.01 0.00 2.84 0.00 0.00 34.83 34.05 1tc5 s MET 39 CO 0.03 0.11 -0.11 0.08 -0.65 0.00 0.00 175.02 174.48 1tc5 s VAL 40 N 0.90 2.73 -0.13 10.11 1.01 0.77 -1.09 120.40 134.70 1tc5 s VAL 40 Ca 0.11 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1tc5 s VAL 40 Cb -0.13 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1tc5 s VAL 40 CO 0.04 0.43 0.32 -0.31 0.00 0.00 0.00 175.10 175.58 1tc5 s TYR 41 N 1.37 3.52 -0.01 5.22 2.02 -0.02 -0.09 117.35 129.36 1tc5 s TYR 41 Ca 0.04 0.68 0.03 0.00 -0.37 0.00 0.00 57.07 57.46 1tc5 s TYR 41 Cb -0.14 -2.32 -0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1tc5 s TYR 41 CO -0.08 0.34 -0.10 -1.50 -1.57 0.00 0.00 175.55 172.64 1tc5 s ILE 42 N 0.12 0.78 0.03 2.71 2.07 -0.61 -1.26 121.20 125.04 1tc5 s ILE 42 Ca 0.19 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 59.03 1tc5 s ILE 42 Cb -0.14 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.77 1tc5 s ILE 42 CO 0.06 0.23 -0.06 0.00 -1.91 0.00 0.00 174.94 173.26 1tc5 s ALA 43 N -0.14 0.39 -0.18 1.50 0.00 -0.49 -0.73 121.76 122.10 1tc5 s ALA 43 Ca 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 1tc5 s ALA 43 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1tc5 s ALA 43 CO -0.00 -0.03 -0.10 -0.06 0.00 0.00 0.00 175.76 175.57 1tc5 s PHE 44 N -1.08 2.88 0.21 0.00 0.08 -1.26 -1.13 117.98 117.68 1tc5 s PHE 44 Ca -0.09 -0.97 0.10 0.00 0.12 0.00 0.00 56.93 56.09 1tc5 s PHE 44 Cb -0.08 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.34 1tc5 s PHE 44 CO -0.00 -0.49 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.93 1tc5 s LEU 45 N 1.09 2.51 -0.13 -0.37 1.43 0.18 -2.16 118.68 121.22 1tc5 s LEU 45 Ca 0.00 -0.95 -0.24 0.00 -1.03 0.00 0.00 54.13 51.92 1tc5 s LEU 45 Cb -0.15 -0.92 0.06 0.00 0.03 0.00 0.00 46.19 45.22 1tc5 s LEU 45 CO -0.02 -0.02 0.59 -0.55 0.23 0.00 0.00 176.35 176.58 1tc5 s SER 46 N -3.06 -0.58 0.62 2.29 0.15 0.45 -1.63 113.70 111.94 1tc5 s SER 46 Ca 0.22 0.87 -0.09 0.00 0.70 0.00 0.00 55.95 57.66 1tc5 s SER 46 Cb -0.05 0.85 -0.00 0.00 -1.71 0.00 0.00 66.02 65.11 1tc5 s SER 46 CO 0.09 -0.39 0.98 -1.81 1.20 0.00 0.00 173.24 173.31 1tc5 s ASP 47 N -0.48 5.75 0.32 5.45 1.01 -1.26 -4.52 116.67 122.95 1tc5 s ASP 47 Ca -0.06 1.02 0.03 0.00 0.71 0.00 0.00 52.55 54.25 1tc5 s ASP 47 Cb -0.03 -2.00 0.60 0.00 1.01 0.00 0.00 42.92 42.50 1tc5 s ASP 47 CO 0.05 -1.06 1.93 0.03 0.21 0.00 0.00 175.17 176.33 1tc5 h ARG 48 N -0.32 0.91 -0.57 8.23 2.47 -1.99 -3.03 114.38 120.08 1tc5 h ARG 48 Ca -0.45 -0.05 -0.32 0.00 -1.26 0.00 0.00 59.98 57.90 1tc5 h ARG 48 Cb 1.24 -0.20 -0.19 0.00 -1.65 0.00 0.00 29.97 29.16 1tc5 h ARG 48 CO 0.62 0.60 0.10 -3.47 0.56 0.00 0.00 179.97 178.38 1tc5 n ASP 49 N -4.49 3.25 -4.87 7.04 -0.08 -1.26 -5.01 116.55 111.14 1tc5 n ASP 49 Ca 0.13 -3.76 -0.35 0.00 -1.51 0.00 0.00 54.79 49.31 1tc5 n ASP 49 Cb 0.21 -0.69 -0.05 0.00 2.34 0.00 0.00 41.12 42.93 1tc5 n ASP 49 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1tc5 s SER 50 N -2.28 6.65 0.51 1.67 1.04 -1.15 -4.72 113.70 115.42 1tc5 s SER 50 Ca 0.49 0.80 -0.21 0.00 0.48 0.00 0.00 55.95 57.52 1tc5 s SER 50 Cb 0.43 -2.18 -0.07 0.00 0.10 0.00 0.00 66.02 64.30 1tc5 s SER 50 CO 0.02 0.17 1.11 0.00 0.98 0.00 0.00 173.24 175.53 1tc5 s ALA 51 N -1.40 2.81 0.45 5.32 0.00 -1.26 -4.87 121.76 122.81 1tc5 s ALA 51 Ca 0.33 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.86 1tc5 s ALA 51 Cb -0.14 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1tc5 s ALA 51 CO 0.18 -0.62 1.11 -1.25 0.00 0.00 0.00 175.76 175.18 1tc5 s PRO 52 N -3.12 3.85 -0.06 0.00 0.04 -1.26 -3.80 135.00 130.66 1tc5 s PRO 52 Ca 0.69 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 1tc5 s PRO 52 Cb -0.23 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1tc5 s PRO 52 CO 0.27 -0.44 1.45 0.42 0.04 0.00 0.00 177.00 178.74 1tc5 s ILE 53 N -1.67 3.81 0.91 0.56 1.01 -1.26 -4.99 121.20 119.56 1tc5 s ILE 53 Ca 0.63 1.08 -0.11 0.00 0.00 0.00 0.00 60.65 62.25 1tc5 s ILE 53 Cb -0.24 -3.69 0.20 0.00 0.01 0.00 0.00 42.46 38.73 1tc5 s ILE 53 CO 0.29 -0.06 1.24 0.42 0.00 0.00 0.00 174.94 176.84 1tc5 s THR 54 N 3.21 2.01 0.27 2.92 -4.23 -1.26 -4.91 115.64 113.64 1tc5 s THR 54 Ca 0.65 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 1tc5 s THR 54 Cb -0.30 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1tc5 s THR 54 CO 0.25 0.00 1.64 0.44 -0.54 0.00 0.00 174.62 176.40 1tc5 h ASP 55 N -1.36 0.30 -0.08 3.99 5.19 -1.99 -1.87 116.42 120.60 1tc5 h ASP 55 Ca -0.41 -0.14 -0.17 0.00 -0.62 0.00 0.00 57.03 55.69 1tc5 h ASP 55 Cb 1.23 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 1tc5 h ASP 55 CO 0.34 0.74 -0.57 -0.08 -3.12 0.00 0.00 179.24 176.55 1tc5 h GLU 56 N 0.22 0.67 -0.24 3.56 4.57 -1.99 -1.29 114.58 120.09 1tc5 h GLU 56 Ca 0.01 -0.44 -0.12 0.00 -1.18 0.00 0.00 59.36 57.64 1tc5 h GLU 56 Cb 0.93 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1tc5 h GLU 56 CO 0.08 1.06 -0.35 0.00 -1.18 0.00 0.00 179.01 178.61 1tc5 h ALA 57 N 0.85 0.95 -0.30 2.92 0.00 -1.94 -0.62 119.26 121.12 1tc5 h ALA 57 Ca 0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1tc5 h ALA 57 Cb 1.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1tc5 h ALA 57 CO 0.11 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.97 1tc5 h LEU 58 N 0.44 0.47 -0.98 0.00 3.38 -1.20 -1.98 115.31 115.45 1tc5 h LEU 58 Ca 0.05 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1tc5 h LEU 58 Cb 0.82 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1tc5 h LEU 58 CO 0.07 0.60 0.03 0.03 0.09 0.00 0.00 178.44 179.26 1tc5 h ARG 59 N 0.32 0.77 -0.71 1.13 3.08 -1.20 -1.42 114.38 116.35 1tc5 h ARG 59 Ca 0.09 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.99 1tc5 h ARG 59 Cb 0.33 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 1tc5 h ARG 59 CO 0.00 0.76 0.44 1.25 -1.07 0.00 0.00 179.97 181.35 1tc5 h HIS 60 N 0.72 0.82 -0.26 3.04 2.76 -1.02 -0.44 115.15 120.77 1tc5 h HIS 60 Ca 0.15 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 1tc5 h HIS 60 Cb 0.40 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1tc5 h HIS 60 CO 0.02 0.46 -0.24 0.00 -1.30 0.00 0.00 177.93 176.87 1tc5 h ALA 61 N 1.32 1.10 -0.53 5.26 0.00 -0.56 -1.77 119.26 124.07 1tc5 h ALA 61 Ca 0.29 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1tc5 h ALA 61 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1tc5 h ALA 61 CO -0.12 0.56 -0.14 0.28 0.00 0.00 0.00 179.25 179.82 1tc5 h VAL 62 N 0.44 1.27 -0.95 0.00 2.07 -0.83 -2.25 116.25 116.00 1tc5 h VAL 62 Ca 0.07 -1.30 0.03 0.00 0.82 0.00 0.00 66.70 66.31 1tc5 h VAL 62 Cb 0.66 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1tc5 h VAL 62 CO 0.05 0.46 0.63 1.23 0.02 0.00 0.00 177.57 179.95 1tc5 h GLY 63 N 0.91 1.36 0.91 2.17 0.00 -0.69 -0.25 103.07 107.48 1tc5 h GLY 63 Ca 0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 1tc5 h GLY 63 CO 0.05 0.44 0.10 -2.08 0.00 0.00 0.00 176.54 175.06 1tc5 h VAL 64 N 1.23 1.21 -0.94 4.60 2.07 -1.09 0.14 116.25 123.48 1tc5 h VAL 64 Ca 0.37 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1tc5 h VAL 64 Cb -0.05 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1tc5 h VAL 64 CO -0.10 0.23 0.62 0.25 0.02 0.00 0.00 177.57 178.59 1tc5 h LEU 65 N 0.37 1.07 0.00 2.57 5.85 -0.80 -3.03 115.31 121.34 1tc5 h LEU 65 Ca 0.11 -0.03 -0.30 0.00 0.84 0.00 0.00 57.88 58.50 1tc5 h LEU 65 Cb 0.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1tc5 h LEU 65 CO -0.00 0.77 -2.04 0.18 -0.34 0.00 0.00 178.44 177.01 1tc5 n LEU 66 N -4.40 0.38 0.03 2.25 4.77 -0.17 -4.50 117.00 115.37 1tc5 n LEU 66 Ca 0.11 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.29 1tc5 n LEU 66 Cb 0.03 0.32 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1tc5 n LEU 66 CO 0.36 0.40 -0.34 1.41 -1.33 0.00 0.00 177.39 177.90 1tc5 n HIS 67 N -2.84 0.85 -2.43 -1.77 8.25 0.49 -0.64 115.22 117.13 1tc5 n HIS 67 Ca -0.24 0.28 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 1tc5 n HIS 67 Cb 1.06 -1.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1tc5 n HIS 67 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1tc5 s THR 68 N -3.01 3.82 -0.49 1.59 2.01 -1.14 -4.75 115.64 113.67 1tc5 s THR 68 Ca -0.03 1.45 -0.27 0.00 0.31 0.00 0.00 61.69 63.15 1tc5 s THR 68 Cb 0.09 -3.93 0.03 0.00 0.01 0.00 0.00 72.50 68.70 1tc5 s THR 68 CO 0.82 0.19 1.06 -0.54 -0.69 0.00 0.00 174.62 175.46 1tc5 s LYS 69 N 0.19 3.60 0.06 4.92 1.02 -1.26 -4.08 119.74 124.20 1tc5 s LYS 69 Ca 0.54 0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.85 1tc5 s LYS 69 Cb -0.31 -3.94 -0.00 0.00 -0.52 0.00 0.00 37.83 33.06 1tc5 s LYS 69 CO 0.33 -1.37 -0.02 -0.89 -0.92 0.00 0.00 175.35 172.48 1tc5 n ILE 70 N 6.64 1.05 -3.74 2.17 5.41 -1.02 -4.69 119.36 125.18 1tc5 n ILE 70 Ca 0.09 0.32 -0.30 0.00 1.00 0.00 0.00 62.75 63.86 1tc5 n ILE 70 Cb 0.49 -1.62 -0.04 0.00 -0.71 0.00 0.00 39.64 37.76 1tc5 n ILE 70 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1tc5 s PHE 71 N -2.05 3.49 -1.01 1.39 0.08 -1.22 -4.67 117.98 113.98 1tc5 s PHE 71 Ca -0.02 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.53 1tc5 s PHE 71 Cb 0.00 -1.90 0.13 0.00 -0.57 0.00 0.00 43.02 40.69 1tc5 s PHE 71 CO 0.03 0.45 0.94 0.25 -0.10 0.00 0.00 175.22 176.78 1tc5 n THR 72 N -0.13 0.35 0.71 0.64 -2.24 -1.26 -0.80 114.28 111.54 1tc5 n THR 72 Ca -0.04 -0.67 0.08 0.00 -2.27 0.00 0.00 64.05 61.15 1tc5 n THR 72 Cb 0.52 0.95 0.06 0.00 -2.10 0.00 0.00 70.33 69.76 1tc5 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tc5 n HIS 73 N 0.45 0.00 -0.06 4.78 1.44 -1.26 -4.59 115.22 115.98 1tc5 n HIS 73 Ca 0.07 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.73 1tc5 n HIS 73 Cb 0.29 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.55 1tc5 n HIS 73 CO 0.00 0.00 0.00 0.74 -2.81 0.00 0.00 176.34 174.27 1tc5 h PHE 74 N 3.07 0.75 -2.41 -1.40 0.04 -1.95 -3.38 116.94 111.65 1tc5 h PHE 74 Ca 0.00 -0.14 -0.60 0.00 2.80 0.00 0.00 57.97 60.03 1tc5 h PHE 74 Cb 0.68 -0.19 -0.41 0.00 2.20 0.00 0.00 35.95 38.23 1tc5 h PHE 74 CO 0.00 0.80 -0.72 0.43 -0.60 0.00 0.00 178.31 178.21 1tc5 n SER 75 N -4.15 2.45 0.31 2.17 7.64 -1.26 -4.94 113.62 115.83 1tc5 n SER 75 Ca 0.01 -3.13 0.19 0.00 1.01 0.00 0.00 58.87 56.95 1tc5 n SER 75 Cb 0.38 -0.67 1.02 0.00 -1.01 0.00 0.00 64.21 63.93 1tc5 n SER 75 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1tc5 h PRO 76 N 4.62 0.00 0.00 1.43 0.13 -1.90 -1.09 132.00 135.19 1tc5 h PRO 76 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1tc5 h PRO 76 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1tc5 h PRO 76 CO 0.69 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 1tc5 n GLU 77 N -3.28 0.15 -2.53 0.86 0.00 -1.26 -4.84 120.64 109.74 1tc5 n GLU 77 Ca -0.02 0.15 -0.42 0.00 0.00 0.00 0.00 57.16 56.87 1tc5 n GLU 77 Cb 0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1tc5 n GLU 77 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1tc5 s LYS 78 N -2.75 4.52 0.11 3.44 3.01 -0.42 -4.94 119.74 122.72 1tc5 s LYS 78 Ca 0.14 1.66 -0.21 0.00 -1.01 0.00 0.00 55.97 56.55 1tc5 s LYS 78 Cb 0.12 -3.35 -0.09 0.00 -1.01 0.00 0.00 37.83 33.50 1tc5 s LYS 78 CO 0.30 -0.08 1.77 1.98 0.51 0.00 0.00 175.35 179.82 1tc5 h MET 79 N 6.21 0.19 -4.95 1.68 1.85 -1.89 -3.40 114.93 114.63 1tc5 h MET 79 Ca -0.42 -0.01 -0.67 0.00 -0.61 0.00 0.00 59.70 57.98 1tc5 h MET 79 Cb 1.21 -0.04 -0.33 0.00 0.43 0.00 0.00 31.60 32.87 1tc5 h MET 79 CO 0.77 0.13 -0.79 0.42 -0.40 0.00 0.00 176.91 177.04 1tc5 s ILE 80 N -6.18 2.55 -0.14 1.77 1.01 -1.26 -5.10 121.20 113.85 1tc5 s ILE 80 Ca -0.13 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 59.16 1tc5 s ILE 80 Cb 0.08 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1tc5 s ILE 80 CO 0.68 0.26 0.94 0.20 0.00 0.00 0.00 174.94 177.03 1tc5 s ASN 81 N 1.28 7.12 0.24 3.58 0.01 -1.26 -5.04 114.94 120.87 1tc5 s ASN 81 Ca 0.00 1.37 0.12 0.00 -0.71 0.00 0.00 52.86 53.64 1tc5 s ASN 81 Cb -0.16 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 38.94 1tc5 s ASN 81 CO -0.07 -0.45 -0.22 -1.10 -1.51 0.00 0.00 177.10 173.76 1tc5 s GLN 82 N 2.17 1.62 0.34 -0.60 -0.21 -1.26 -5.08 119.66 116.63 1tc5 s GLN 82 Ca 0.44 -1.67 -0.28 0.00 0.02 0.00 0.00 55.36 53.87 1tc5 s GLN 82 Cb -0.17 -1.80 -0.12 0.00 1.00 0.00 0.00 33.01 31.91 1tc5 s GLN 82 CO 0.14 0.36 1.23 -2.30 -2.12 0.00 0.00 175.29 172.60 1tc5 n PRO 83 N -0.26 1.94 -4.18 2.91 -0.02 -1.26 -4.53 135.00 129.60 1tc5 n PRO 83 Ca -0.08 0.68 -0.17 0.00 -2.02 0.00 0.00 63.50 61.92 1tc5 n PRO 83 Cb 0.58 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.71 1tc5 n PRO 83 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1tc5 s GLN 84 N -1.86 0.86 0.40 -0.52 -0.21 0.02 -4.75 119.66 113.60 1tc5 s GLN 84 Ca 0.57 -1.09 -0.14 0.00 0.02 0.00 0.00 55.36 54.72 1tc5 s GLN 84 Cb -0.59 -0.71 -0.08 0.00 1.00 0.00 0.00 33.01 32.63 1tc5 s GLN 84 CO 0.61 0.14 0.81 -1.54 -2.12 0.00 0.00 175.29 173.19 1tc5 s SER 85 N -2.16 6.65 0.34 5.90 1.04 -1.26 -2.44 113.70 121.77 1tc5 s SER 85 Ca 0.03 1.31 0.05 0.00 0.48 0.00 0.00 55.95 57.82 1tc5 s SER 85 Cb -0.06 -2.39 0.69 0.00 0.10 0.00 0.00 66.02 64.36 1tc5 s SER 85 CO 0.02 -0.37 1.92 -0.07 0.98 0.00 0.00 173.24 175.71 1tc5 h LEU 86 N 1.56 0.74 -0.75 2.42 3.38 -1.71 -2.74 115.31 118.21 1tc5 h LEU 86 Ca -0.47 0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.58 1tc5 h LEU 86 Cb 1.18 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 1tc5 h LEU 86 CO 0.64 0.45 0.43 -0.08 0.09 0.00 0.00 178.44 179.96 1tc5 h GLU 87 N 0.83 0.74 -0.00 1.13 4.81 -1.23 -0.91 114.58 119.94 1tc5 h GLU 87 Ca 0.38 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1tc5 h GLU 87 Cb 0.37 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1tc5 h GLU 87 CO -0.15 0.49 -0.02 -0.85 -0.73 0.00 0.00 179.01 177.75 1tc5 n GLU 88 N -4.75 0.51 -3.49 1.92 0.28 -1.05 -3.92 120.64 110.15 1tc5 n GLU 88 Ca 0.11 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.16 56.80 1tc5 n GLU 88 Cb 0.21 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.49 1tc5 n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1tc5 h PRO 90 N 4.52 0.00 0.00 0.00 0.13 -1.67 -2.60 132.00 132.38 1tc5 h PRO 90 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1tc5 h PRO 90 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1tc5 h PRO 90 CO 0.72 0.00 -0.50 0.39 -0.23 0.00 0.00 178.00 178.37 1tc5 n GLU 91 N -3.04 0.14 -1.90 0.86 1.02 -1.26 -4.54 120.64 111.92 1tc5 n GLU 91 Ca -0.03 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 56.78 1tc5 n GLU 91 Cb 0.12 -1.59 0.04 0.00 -0.02 0.00 0.00 31.44 29.99 1tc5 n GLU 91 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1tc5 s MET 92 N -3.08 3.12 0.30 3.49 -1.94 -0.98 -1.16 119.30 119.06 1tc5 s MET 92 Ca 0.09 2.06 -0.11 0.00 -1.71 0.00 0.00 55.69 56.02 1tc5 s MET 92 Cb 0.16 -2.16 -0.07 0.00 2.01 0.00 0.00 34.83 34.76 1tc5 s MET 92 CO 0.69 -1.15 0.65 -0.51 -0.01 0.00 0.00 175.02 174.69 1tc5 s ASP 93 N -1.20 6.62 -0.08 3.03 1.11 0.03 -4.19 116.67 121.99 1tc5 s ASP 93 Ca 0.73 1.03 0.02 0.00 0.18 0.00 0.00 52.55 54.52 1tc5 s ASP 93 Cb -0.36 -2.27 0.01 0.00 1.07 0.00 0.00 42.92 41.37 1tc5 s ASP 93 CO 0.42 -0.19 -0.15 -0.63 1.18 0.00 0.00 175.17 175.79 1tc5 s ILE 94 N -2.01 1.39 -0.23 0.77 1.01 -0.19 -1.26 121.20 120.67 1tc5 s ILE 94 Ca 0.50 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 1tc5 s ILE 94 Cb -0.11 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.14 1tc5 s ILE 94 CO 0.23 0.41 -0.11 -0.22 0.00 0.00 0.00 174.94 175.25 1tc5 s LEU 95 N 0.68 2.90 -0.19 2.97 2.96 -0.38 -0.63 118.68 126.98 1tc5 s LEU 95 Ca -0.14 -0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 52.85 1tc5 s LEU 95 Cb -0.16 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1tc5 s LEU 95 CO 0.04 -0.10 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.32 1tc5 s ILE 96 N 1.28 3.82 -0.13 6.68 1.01 0.88 -0.16 121.20 134.58 1tc5 s ILE 96 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1tc5 s ILE 96 Cb -0.16 -2.72 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1tc5 s ILE 96 CO -0.07 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.43 1tc5 s VAL 97 N 0.96 1.81 -0.03 2.92 1.01 0.87 -1.22 120.40 126.71 1tc5 s VAL 97 Ca 0.01 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1tc5 s VAL 97 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 1tc5 s VAL 97 CO 0.01 0.50 1.38 -2.16 0.00 0.00 0.00 175.10 174.83 1tc5 s PRO 98 N 1.00 4.28 -0.40 2.72 0.04 -1.26 -1.57 135.00 139.80 1tc5 s PRO 98 Ca -0.04 1.91 0.05 0.00 0.04 0.00 0.00 61.00 62.96 1tc5 s PRO 98 Cb -0.15 -3.63 0.20 0.00 0.04 0.00 0.00 34.50 30.95 1tc5 s PRO 98 CO -0.04 -0.60 0.40 1.04 0.04 0.00 0.00 177.00 177.84 1tc5 n GLN 99 N 5.67 0.35 0.25 4.56 1.13 0.09 -4.85 117.38 124.59 1tc5 n GLN 99 Ca 0.13 -3.19 0.12 0.00 -1.94 0.00 0.00 57.00 52.12 1tc5 n GLN 99 Cb 0.44 -1.52 0.67 0.00 0.11 0.00 0.00 30.24 29.94 1tc5 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1tc5 h ALA 100 N 5.10 1.24 0.00 -1.58 0.00 -1.93 -2.54 119.26 119.54 1tc5 h ALA 100 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1tc5 h ALA 100 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tc5 h ALA 100 CO 0.40 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.49 1tc5 h SER 101 N 0.00 0.00 -0.02 0.00 4.64 -1.93 -2.31 113.55 113.93 1tc5 h SER 101 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tc5 h SER 101 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1tc5 h SER 101 CO 0.02 0.00 0.11 -0.07 -0.87 0.00 0.00 176.83 176.02 1tc5 h LEU 102 N 0.00 0.00 -0.16 5.97 3.38 -1.83 -0.77 115.31 121.90 1tc5 h LEU 102 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tc5 h LEU 102 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1tc5 h LEU 102 CO 0.00 0.00 -0.31 0.61 0.09 0.00 0.00 178.44 178.83 1tc5 n GLY 103 N -1.16 -1.08 3.70 0.83 0.00 -0.87 -4.94 105.19 101.67 1tc5 n GLY 103 Ca -0.02 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1tc5 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tc5 n GLY 104 N 1.42 0.54 3.20 -0.02 0.00 -0.30 -4.58 105.19 105.46 1tc5 n GLY 104 Ca 0.09 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 1tc5 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tc5 s LYS 105 N -1.97 1.02 0.21 1.61 1.02 -0.41 -4.98 119.74 116.24 1tc5 s LYS 105 Ca 0.57 -0.93 -0.31 0.00 0.02 0.00 0.00 55.97 55.32 1tc5 s LYS 105 Cb -0.55 -1.11 -0.10 0.00 -0.52 0.00 0.00 37.83 35.55 1tc5 s LYS 105 CO 0.61 0.26 1.55 0.08 -0.92 0.00 0.00 175.35 176.93 1tc5 s VAL 106 N -1.03 2.50 -0.26 3.17 1.01 -1.26 -0.75 120.40 123.78 1tc5 s VAL 106 Ca 0.03 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.37 1tc5 s VAL 106 Cb -0.09 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.13 1tc5 s VAL 106 CO 0.02 0.04 0.08 -0.75 0.00 0.00 0.00 175.10 174.50 1tc5 s LYS 107 N 0.51 0.51 6.91 2.72 2.20 0.25 -4.86 119.74 127.98 1tc5 s LYS 107 Ca 0.67 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1tc5 s LYS 107 Cb -0.44 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.07 1tc5 s LYS 107 CO 0.37 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 1tc5 n GLY 108 N 5.05 3.12 1.16 5.54 0.00 -1.26 -0.98 105.19 117.82 1tc5 n GLY 108 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1tc5 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tc5 n ARG 109 N 8.39 2.48 -3.72 1.61 1.74 -1.26 -4.99 116.66 120.92 1tc5 n ARG 109 Ca 0.00 -3.01 -0.17 0.00 -0.77 0.00 0.00 57.85 53.90 1tc5 n ARG 109 Cb 0.00 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 29.51 1tc5 n ARG 109 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1tc5 n SER 110 N -0.79 0.60 -4.27 0.55 3.41 -0.15 -5.16 113.62 107.81 1tc5 n SER 110 Ca 0.30 -2.59 -0.32 0.00 -0.26 0.00 0.00 58.87 56.00 1tc5 n SER 110 Cb 1.03 0.91 -0.16 0.00 -0.26 0.00 0.00 64.21 65.73 1tc5 n SER 110 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1tc5 s VAL 111 N -2.78 2.23 0.01 -3.33 1.01 -1.26 -0.58 120.40 115.70 1tc5 s VAL 111 Ca 0.20 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1tc5 s VAL 111 Cb 0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1tc5 s VAL 111 CO 0.14 0.56 -0.06 0.00 0.00 0.00 0.00 175.10 175.74 1tc5 s GLN 112 N 0.06 2.56 -0.25 2.72 1.03 0.07 -4.91 119.66 120.94 1tc5 s GLN 112 Ca -0.10 -0.73 0.10 0.00 0.04 0.00 0.00 55.36 54.68 1tc5 s GLN 112 Cb -0.15 -2.51 0.46 0.00 0.03 0.00 0.00 33.01 30.83 1tc5 s GLN 112 CO 0.06 0.60 1.34 1.19 -2.54 0.00 0.00 175.29 175.93 1tc5 n PHE 113 N 1.47 0.53 0.28 9.60 3.72 -1.26 -1.29 117.46 130.51 1tc5 n PHE 113 Ca -0.15 -1.53 0.16 0.00 -0.05 0.00 0.00 57.45 55.87 1tc5 n PHE 113 Cb 0.52 -0.36 0.85 0.00 -0.94 0.00 0.00 39.48 39.55 1tc5 n PHE 113 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1tc5 h HIS 114 N 0.99 0.00 0.00 1.38 3.86 -1.96 -1.63 115.15 117.79 1tc5 h HIS 114 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1tc5 h HIS 114 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1tc5 h HIS 114 CO 0.87 0.07 0.00 1.04 0.86 0.00 0.00 177.93 180.77 1tc5 n GLN 115 N -3.48 0.03 -2.63 2.45 6.02 -1.26 -4.86 117.38 113.65 1tc5 n GLN 115 Ca -0.02 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 1tc5 n GLN 115 Cb 0.19 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1tc5 n GLN 115 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1tc5 s LEU 116 N -3.21 4.43 0.79 1.08 1.02 -0.61 -0.41 118.68 121.76 1tc5 s LEU 116 Ca 0.13 1.83 -0.14 0.00 0.02 0.00 0.00 54.13 55.97 1tc5 s LEU 116 Cb 0.17 -3.58 0.07 0.00 0.02 0.00 0.00 46.19 42.87 1tc5 s LEU 116 CO 0.50 -0.23 1.22 0.68 0.02 0.00 0.00 176.35 178.54 1tc5 s VAL 117 N 0.52 2.04 0.86 -1.59 -7.23 -0.92 -4.83 120.40 109.25 1tc5 s VAL 117 Ca 0.51 0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.57 1tc5 s VAL 117 Cb -0.25 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.25 1tc5 s VAL 117 CO 0.30 -0.01 0.74 0.00 -0.31 0.00 0.00 175.10 175.82 1tc5 n ALA 118 N -3.13 -1.46 -0.04 1.32 0.00 -1.26 -4.70 120.51 111.23 1tc5 n ALA 118 Ca 0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 53.04 1tc5 n ALA 118 Cb 0.50 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.94 1tc5 n ALA 118 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1tc5 h LYS 119 N -1.20 0.11 -0.03 0.00 3.64 -1.99 -0.56 116.57 116.54 1tc5 h LYS 119 Ca -0.44 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 58.78 1tc5 h LYS 119 Cb 1.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1tc5 h LYS 119 CO 0.40 0.07 -0.67 -0.44 -2.27 0.00 0.00 179.45 176.54 1tc5 h ASP 120 N 0.11 0.17 -0.24 4.20 3.32 -1.99 0.08 116.42 122.08 1tc5 h ASP 120 Ca 0.09 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1tc5 h ASP 120 Cb 0.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1tc5 h ASP 120 CO -0.13 0.79 -0.01 0.58 -1.72 0.00 0.00 179.24 178.74 1tc5 h VAL 121 N 0.10 1.26 -0.60 -1.35 2.07 -1.88 -2.30 116.25 113.56 1tc5 h VAL 121 Ca -0.01 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 1tc5 h VAL 121 Cb 1.20 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1tc5 h VAL 121 CO 0.10 0.29 0.03 1.23 0.02 0.00 0.00 177.57 179.24 1tc5 h GLY 122 N 0.19 1.12 0.68 2.17 0.00 -0.95 -0.97 103.07 105.31 1tc5 h GLY 122 Ca 0.07 -0.81 0.06 0.00 0.00 0.00 0.00 47.33 46.65 1tc5 h GLY 122 CO 0.02 0.74 0.35 0.00 0.00 0.00 0.00 176.54 177.65 1tc5 h ALA 123 N 0.99 0.86 -0.24 3.60 0.00 -0.96 0.52 119.26 124.03 1tc5 h ALA 123 Ca 0.17 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1tc5 h ALA 123 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1tc5 h ALA 123 CO 0.03 0.02 -0.14 0.00 0.00 0.00 0.00 179.25 179.16 1tc5 h ALA 124 N 1.34 0.35 -0.46 0.00 0.00 -1.18 -1.42 119.26 117.88 1tc5 h ALA 124 Ca 0.29 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1tc5 h ALA 124 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1tc5 h ALA 124 CO -0.18 0.22 -0.15 -0.07 0.00 0.00 0.00 179.25 179.07 1tc5 h LEU 125 N 0.24 0.89 -0.12 0.00 3.38 -1.08 -1.79 115.31 116.83 1tc5 h LEU 125 Ca 0.05 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1tc5 h LEU 125 Cb 0.65 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1tc5 h LEU 125 CO 0.04 1.03 0.02 0.22 0.09 0.00 0.00 178.44 179.84 1tc5 h TYR 126 N 0.78 0.21 -0.42 1.13 3.20 -0.84 0.33 116.97 121.36 1tc5 h TYR 126 Ca 0.12 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.99 1tc5 h TYR 126 Cb 0.68 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 1tc5 h TYR 126 CO 0.04 0.38 0.22 0.22 -1.64 0.00 0.00 178.16 177.38 1tc5 h ASP 127 N -0.03 0.33 -0.57 -2.11 3.58 -1.25 -1.01 116.42 115.36 1tc5 h ASP 127 Ca 0.04 0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1tc5 h ASP 127 Cb 0.29 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1tc5 h ASP 127 CO 0.00 0.24 -0.04 -0.09 -2.88 0.00 0.00 179.24 176.47 1tc5 h ARG 128 N 0.44 1.04 -0.60 0.28 9.65 -1.22 -1.40 114.38 122.59 1tc5 h ARG 128 Ca 0.18 -0.35 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 1tc5 h ARG 128 Cb 0.07 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 1tc5 h ARG 128 CO -0.11 1.04 0.11 0.35 2.80 0.00 0.00 179.97 184.16 1tc5 h PHE 129 N 0.94 1.03 -0.49 2.20 3.57 -0.75 -1.70 116.94 121.75 1tc5 h PHE 129 Ca 0.16 -0.14 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1tc5 h PHE 129 Cb 0.60 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1tc5 h PHE 129 CO 0.04 0.89 -0.21 0.00 -2.23 0.00 0.00 178.31 176.80 1tc5 h HIS 131 N 0.87 0.12 -0.31 0.00 -0.00 -1.10 -1.05 115.15 113.67 1tc5 h HIS 131 Ca 0.11 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1tc5 h HIS 131 Cb 0.79 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.19 1tc5 h HIS 131 CO 0.05 0.02 -0.09 0.74 -0.00 0.00 0.00 177.93 178.65 1tc5 h PHE 132 N 0.19 0.55 -0.12 5.26 0.04 -1.20 -1.46 116.94 120.21 1tc5 h PHE 132 Ca 0.17 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1tc5 h PHE 132 Cb 0.20 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1tc5 h PHE 132 CO -0.19 0.60 -0.10 0.28 -0.60 0.00 0.00 178.31 178.31 1tc5 h VAL 133 N 0.49 1.35 -0.60 -0.55 2.07 -1.11 -1.83 116.25 116.06 1tc5 h VAL 133 Ca 0.09 -1.22 0.12 0.00 0.82 0.00 0.00 66.70 66.51 1tc5 h VAL 133 Cb 0.46 1.90 -0.09 0.00 -1.52 0.00 0.00 31.29 32.04 1tc5 h VAL 133 CO 0.02 0.35 0.07 0.03 0.02 0.00 0.00 177.57 178.06 1tc5 h ARG 134 N -0.12 0.18 -0.37 1.57 3.08 -1.01 -1.05 114.38 116.65 1tc5 h ARG 134 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1tc5 h ARG 134 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1tc5 h ARG 134 CO 0.03 0.12 0.12 0.28 -1.07 0.00 0.00 179.97 179.45 1tc5 h VAL 135 N 0.18 1.21 0.00 2.04 2.07 -1.21 -0.84 116.25 119.71 1tc5 h VAL 135 Ca 0.32 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1tc5 h VAL 135 Cb 0.50 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1tc5 h VAL 135 CO -0.46 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.36 1tc5 h ALA 136 N 0.97 1.00 -0.20 1.67 0.00 -0.76 -2.26 119.26 119.68 1tc5 h ALA 136 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tc5 h ALA 136 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1tc5 h ALA 136 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1tc5 n ARG 137 N -2.53 2.11 -1.59 0.00 5.12 -0.45 -4.98 116.66 114.35 1tc5 n ARG 137 Ca 0.01 -1.95 -0.07 0.00 -1.93 0.00 0.00 57.85 53.91 1tc5 n ARG 137 Cb 0.24 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.10 1tc5 n ARG 137 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tc5 n GLY 138 N 1.22 0.59 3.73 -0.13 0.00 -0.70 -4.98 105.19 104.91 1tc5 n GLY 138 Ca 0.15 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1tc5 n GLY 138 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tc5 s VAL 139 N -2.31 2.87 -0.75 1.61 1.01 -0.40 -4.93 120.40 117.49 1tc5 s VAL 139 Ca 0.00 0.66 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 1tc5 s VAL 139 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1tc5 s VAL 139 CO 0.00 0.07 1.53 -0.62 0.00 0.00 0.00 175.10 176.08 1tc5 s ASP 140 N 0.87 5.86 0.23 3.32 -1.08 -1.26 -4.78 116.67 119.82 1tc5 s ASP 140 Ca 0.65 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.51 1tc5 s ASP 140 Cb -0.41 -2.55 0.93 0.00 -1.46 0.00 0.00 42.92 39.43 1tc5 s ASP 140 CO 0.35 -2.03 1.65 -0.62 0.52 0.00 0.00 175.17 175.04 1tc5 n GLU 141 N 9.22 0.16 0.04 4.34 1.02 -1.26 -1.72 120.64 132.43 1tc5 n GLU 141 Ca 0.15 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.85 1tc5 n GLU 141 Cb 0.50 -1.83 0.38 0.00 -0.02 0.00 0.00 31.44 30.47 1tc5 n GLU 141 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1tc5 n SER 142 N -2.12 0.50 -0.56 1.62 3.41 -1.26 -3.84 113.62 111.36 1tc5 n SER 142 Ca 0.02 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.98 1tc5 n SER 142 Cb 0.19 -0.27 0.05 0.00 -0.26 0.00 0.00 64.21 63.92 1tc5 n SER 142 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1tc5 n ARG 143 N -1.87 1.17 -4.41 4.33 5.12 -0.70 -4.97 116.66 115.33 1tc5 n ARG 143 Ca 0.05 -1.30 -0.24 0.00 -1.93 0.00 0.00 57.85 54.43 1tc5 n ARG 143 Cb 0.39 -1.27 -0.10 0.00 -1.16 0.00 0.00 32.46 30.32 1tc5 n ARG 143 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1tc5 s VAL 144 N -1.30 2.73 0.00 1.55 -7.23 -1.21 -0.56 120.40 114.38 1tc5 s VAL 144 Ca 0.17 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1tc5 s VAL 144 Cb 0.12 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1tc5 s VAL 144 CO 0.21 -0.35 0.00 -0.90 -0.31 0.00 0.00 175.10 173.75 1tc5 n ASP 145 N -0.55 0.00 0.27 4.85 5.68 0.26 -4.67 116.55 122.39 1tc5 n ASP 145 Ca -0.06 -0.86 0.11 0.00 -0.50 0.00 0.00 54.79 53.48 1tc5 n ASP 145 Cb 0.59 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.32 1tc5 n ASP 145 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tc5 h ALA 146 N -0.48 1.64 -0.31 2.12 0.00 -1.98 -1.74 119.26 118.51 1tc5 h ALA 146 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tc5 h ALA 146 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tc5 h ALA 146 CO 0.00 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1tc5 n ASN 147 N -4.07 2.96 0.00 0.00 4.13 -1.26 -4.84 115.26 112.17 1tc5 n ASN 147 Ca -0.03 -1.92 0.00 0.00 1.68 0.00 0.00 54.58 54.31 1tc5 n ASN 147 Cb 0.13 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1tc5 n ASN 147 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tc5 n GLY 148 N 1.40 0.65 3.91 7.41 0.00 -0.66 -1.56 105.19 116.35 1tc5 n GLY 148 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1tc5 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tc5 s ALA 149 N -2.38 3.30 0.25 4.61 0.00 -1.26 -4.67 121.76 121.61 1tc5 s ALA 149 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 1tc5 s ALA 149 Cb 0.00 -2.63 -0.14 0.00 0.00 0.00 0.00 23.12 20.35 1tc5 s ALA 149 CO 0.00 -0.70 1.31 -2.30 0.00 0.00 0.00 175.76 174.07 1tc5 n PRO 150 N -2.53 1.85 -0.03 0.00 -0.02 -1.26 -0.57 135.00 132.43 1tc5 n PRO 150 Ca 0.04 0.66 -0.06 0.00 -2.02 0.00 0.00 63.50 62.11 1tc5 n PRO 150 Cb 0.57 -2.25 0.13 0.00 -0.02 0.00 0.00 33.50 31.93 1tc5 n PRO 150 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1tc5 h ARG 151 N 3.63 0.63 -5.64 -0.52 2.43 -1.10 -3.39 114.38 110.41 1tc5 h ARG 151 Ca -0.44 -0.27 -0.61 0.00 -0.81 0.00 0.00 59.98 57.86 1tc5 h ARG 151 Cb 1.29 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.72 1tc5 h ARG 151 CO 0.71 0.84 0.29 -1.54 -1.51 0.00 0.00 179.97 178.77 1tc5 s SER 152 N -6.80 6.65 0.64 -3.80 1.04 -1.26 -4.94 113.70 105.22 1tc5 s SER 152 Ca -0.08 0.74 0.37 0.00 0.48 0.00 0.00 55.95 57.45 1tc5 s SER 152 Cb 0.13 -2.38 2.06 0.00 0.10 0.00 0.00 66.02 65.93 1tc5 s SER 152 CO 0.82 -0.48 2.24 1.05 0.98 0.00 0.00 173.24 177.84 1tc5 h GLU 153 N 7.94 0.00 0.00 4.02 9.09 -1.99 -1.65 114.58 131.98 1tc5 h GLU 153 Ca -0.25 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.16 1tc5 h GLU 153 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1tc5 h GLU 153 CO 0.83 0.00 -0.01 0.78 0.05 0.00 0.00 179.01 180.66 1tc5 h GLY 154 N 0.00 0.00 0.64 1.06 0.00 -1.93 -2.95 103.07 99.89 1tc5 h GLY 154 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1tc5 h GLY 154 CO -0.00 0.00 -0.30 1.22 0.00 0.00 0.00 176.54 177.46 1tc5 n ASP 155 N -3.10 0.74 -4.76 0.19 9.92 -0.62 -4.94 116.55 113.98 1tc5 n ASP 155 Ca 0.02 -0.59 -0.39 0.00 -0.53 0.00 0.00 54.79 53.31 1tc5 n ASP 155 Cb 0.43 0.12 0.02 0.00 -0.64 0.00 0.00 41.12 41.04 1tc5 n ASP 155 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tc5 s ALA 156 N -2.67 3.04 0.82 2.24 0.00 -1.12 -4.86 121.76 119.21 1tc5 s ALA 156 Ca 0.20 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.30 1tc5 s ALA 156 Cb 0.19 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1tc5 s ALA 156 CO 0.57 -1.10 0.69 -2.30 0.00 0.00 0.00 175.76 173.61 1tc5 n PRO 157 N -0.50 0.07 -1.65 0.00 -0.02 -1.26 -4.95 135.00 126.68 1tc5 n PRO 157 Ca 0.07 0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 61.26 1tc5 n PRO 157 Cb 0.44 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 31.97 1tc5 n PRO 157 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1tc5 n LYS 158 N -1.81 0.96 0.14 -0.52 2.85 -1.26 -4.92 118.16 113.60 1tc5 n LYS 158 Ca 0.10 0.38 -0.01 0.00 -1.05 0.00 0.00 58.31 57.73 1tc5 n LYS 158 Cb 0.51 -2.37 0.16 0.00 -0.65 0.00 0.00 35.03 32.69 1tc5 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1tc5 h ALA 159 N 0.41 0.92 -2.22 0.58 0.00 -1.99 -3.46 119.26 113.50 1tc5 h ALA 159 Ca -0.50 -0.56 -0.35 0.00 0.00 0.00 0.00 54.91 53.50 1tc5 h ALA 159 Cb 1.35 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.90 1tc5 h ALA 159 CO 0.51 0.77 -0.69 -1.21 0.00 0.00 0.00 179.25 178.64 1tc5 s GLU 160 N -3.52 1.17 0.00 0.00 2.02 -1.26 -5.11 118.70 112.00 1tc5 s GLU 160 Ca -0.01 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.44 1tc5 s GLU 160 Cb 0.12 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.73 1tc5 s GLU 160 CO 0.76 0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1tc5 n GLY 161 N -0.28 -1.90 3.67 -1.39 0.00 -1.26 -4.93 105.19 99.10 1tc5 n GLY 161 Ca -0.08 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 1tc5 n GLY 161 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1tc5 n TRP 162 N -1.15 2.09 -4.38 1.61 -0.00 -1.26 -5.00 117.44 109.34 1tc5 n TRP 162 Ca 0.00 0.52 -0.24 0.00 -0.00 0.00 0.00 57.50 57.78 1tc5 n TRP 162 Cb 0.00 -2.41 -0.13 0.00 -0.00 0.00 0.00 31.31 28.77 1tc5 n TRP 162 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 1tc5 s ILE 163 N -0.57 1.66 0.43 5.87 -4.36 -1.26 -5.06 121.20 117.91 1tc5 s ILE 163 Ca 0.62 -1.42 -0.22 0.00 -0.26 0.00 0.00 60.65 59.37 1tc5 s ILE 163 Cb -0.63 -1.49 -0.09 0.00 1.25 0.00 0.00 42.46 41.50 1tc5 s ILE 163 CO 0.56 0.01 1.04 -0.75 0.24 0.00 0.00 174.94 176.04 1tc5 s LYS 164 N -1.67 4.02 0.91 0.37 2.20 -1.26 -4.58 119.74 119.72 1tc5 s LYS 164 Ca 0.06 1.45 -0.12 0.00 -0.36 0.00 0.00 55.97 57.00 1tc5 s LYS 164 Cb -0.10 -2.36 0.08 0.00 -1.51 0.00 0.00 37.83 33.94 1tc5 s LYS 164 CO 0.03 -0.26 0.76 2.48 -0.36 0.00 0.00 175.35 178.01 1tc5 n TYR 165 N -0.44 -0.29 -2.67 4.03 0.18 -1.26 -4.53 117.16 112.18 1tc5 n TYR 165 Ca 0.07 0.32 -0.04 0.00 1.88 0.00 0.00 57.90 60.13 1tc5 n TYR 165 Cb 0.51 -1.91 0.10 0.00 -0.38 0.00 0.00 39.34 37.67 1tc5 n TYR 165 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1tc5 n ASN 166 N -2.48 -1.48 -3.52 9.48 4.05 -1.21 -4.99 115.26 115.10 1tc5 n ASN 166 Ca 0.10 -2.16 -0.26 0.00 0.45 0.00 0.00 54.58 52.71 1tc5 n ASN 166 Cb 0.52 0.78 0.04 0.00 1.23 0.00 0.00 39.78 42.35 1tc5 n ASN 166 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1tc5 n SER 167 N -0.99 -5.49 -4.84 1.20 7.64 -0.31 -4.96 113.62 105.87 1tc5 n SER 167 Ca -0.12 -0.53 -0.33 0.00 1.01 0.00 0.00 58.87 58.90 1tc5 n SER 167 Cb 0.82 -4.39 -0.06 0.00 -1.01 0.00 0.00 64.21 59.56 1tc5 n SER 167 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1tc5 s ARG 168 N -6.22 4.10 -0.37 1.43 0.52 -1.26 -4.81 118.95 112.34 1tc5 s ARG 168 Ca 0.52 0.79 0.02 0.00 -0.52 0.00 0.00 55.73 56.53 1tc5 s ARG 168 Cb -0.25 -2.50 0.11 0.00 0.52 0.00 0.00 34.95 32.84 1tc5 s ARG 168 CO 0.64 0.18 0.13 0.08 0.02 0.00 0.00 175.30 176.36 1tc5 s VAL 169 N -1.91 1.50 -0.12 3.52 1.01 -1.26 -1.02 120.40 122.12 1tc5 s VAL 169 Ca 0.53 -2.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.34 1tc5 s VAL 169 Cb -0.12 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1tc5 s VAL 169 CO 0.18 -0.72 0.18 -0.63 0.00 0.00 0.00 175.10 174.10 1tc5 s ILE 170 N 0.96 5.43 -0.03 2.22 -1.09 0.19 -4.28 121.20 124.60 1tc5 s ILE 170 Ca 0.13 0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.82 1tc5 s ILE 170 Cb -0.20 -3.46 0.01 0.00 -1.58 0.00 0.00 42.46 37.23 1tc5 s ILE 170 CO -0.12 0.58 0.09 -0.94 -1.23 0.00 0.00 174.94 173.32 1tc5 s SER 171 N -0.81 -0.08 0.78 3.58 1.04 -0.60 -0.08 113.70 117.53 1tc5 s SER 171 Ca 0.15 0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.61 1tc5 s SER 171 Cb -0.13 0.18 0.07 0.00 0.10 0.00 0.00 66.02 66.25 1tc5 s SER 171 CO 0.05 -0.05 1.13 -0.83 0.98 0.00 0.00 173.24 174.51 1tc5 s GLY 172 N -0.05 1.86 -0.25 7.32 0.00 -0.36 -4.41 107.32 111.44 1tc5 s GLY 172 Ca -0.01 0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.91 1tc5 s GLY 172 CO 0.00 0.87 1.15 -1.59 0.00 0.00 0.00 173.10 173.54 1tc5 s THR 173 N -2.60 4.43 0.27 0.90 2.01 -1.26 -4.88 115.64 114.52 1tc5 s THR 173 Ca 0.66 1.69 -0.31 0.00 0.31 0.00 0.00 61.69 64.05 1tc5 s THR 173 Cb -0.21 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 67.95 1tc5 s THR 173 CO 0.52 -0.30 1.64 0.12 -0.69 0.00 0.00 174.62 175.91 1tc5 s PHE 174 N 3.61 2.78 0.00 4.92 5.36 -1.26 -1.88 117.98 131.51 1tc5 s PHE 174 Ca 0.49 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 1tc5 s PHE 174 Cb -0.16 -4.10 0.00 0.00 -0.34 0.00 0.00 43.02 38.42 1tc5 s PHE 174 CO 0.14 -3.83 0.00 0.41 -1.46 0.00 0.00 175.22 170.47 1tc5 n GLY 175 N 2.67 1.68 3.93 13.12 0.00 -1.26 -5.04 105.19 120.28 1tc5 n GLY 175 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1tc5 n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tc5 s ASN 176 N -3.27 5.41 -0.04 1.61 -0.87 -0.79 -5.06 114.94 111.93 1tc5 s ASN 176 Ca 0.00 0.54 -0.30 0.00 -1.57 0.00 0.00 52.86 51.53 1tc5 s ASN 176 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.25 39.73 1tc5 s ASN 176 CO 0.00 -1.15 1.14 -0.60 -2.57 0.00 0.00 177.10 173.92 1tc5 s ARG 177 N -4.98 4.40 -1.18 -0.60 3.52 -1.26 -4.96 118.95 113.88 1tc5 s ARG 177 Ca 0.55 1.61 -0.04 0.00 -0.13 0.00 0.00 55.73 57.72 1tc5 s ARG 177 Cb -0.10 -3.51 0.22 0.00 -1.56 0.00 0.00 34.95 30.00 1tc5 s ARG 177 CO 0.44 -0.35 2.00 1.04 -0.81 0.00 0.00 175.30 177.62 1tc5 n GLN 178 N 4.83 4.75 -1.63 5.12 1.13 -1.26 -4.68 117.38 125.65 1tc5 n GLN 178 Ca 0.10 -4.04 -0.47 0.00 -1.94 0.00 0.00 57.00 50.65 1tc5 n GLN 178 Cb 0.47 -2.60 -0.04 0.00 0.11 0.00 0.00 30.24 28.19 1tc5 n GLN 178 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tc5 n GLY 179 N 1.19 0.56 2.88 1.08 0.00 -1.26 -4.82 105.19 104.82 1tc5 n GLY 179 Ca 0.49 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.94 1tc5 n GLY 179 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tc5 s LEU 180 N 0.44 1.54 -0.11 0.99 2.96 -1.26 -0.45 118.68 122.79 1tc5 s LEU 180 Ca 0.73 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.76 1tc5 s LEU 180 Cb -0.75 0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.05 1tc5 s LEU 180 CO 0.48 -0.06 -0.20 -0.13 -1.32 0.00 0.00 176.35 175.12 1tc5 s ARG 181 N 0.40 2.73 -0.05 1.98 0.52 -0.20 -5.00 118.95 119.34 1tc5 s ARG 181 Ca -0.03 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 1tc5 s ARG 181 Cb -0.05 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.28 1tc5 s ARG 181 CO -0.01 0.05 -0.05 0.12 0.02 0.00 0.00 175.30 175.43 1tc5 s PHE 182 N 0.66 0.80 -0.05 -0.53 5.36 -1.26 -0.63 117.98 122.33 1tc5 s PHE 182 Ca -0.12 -0.24 0.05 0.00 -0.96 0.00 0.00 56.93 55.67 1tc5 s PHE 182 Cb -0.16 -0.72 -0.01 0.00 -0.34 0.00 0.00 43.02 41.79 1tc5 s PHE 182 CO 0.03 -0.22 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.15 1tc5 s GLU 183 N 1.02 2.13 -0.03 10.12 2.02 -0.18 -5.02 118.70 128.76 1tc5 s GLU 183 Ca -0.09 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 1tc5 s GLU 183 Cb -0.14 -1.84 0.01 0.00 0.10 0.00 0.00 34.13 32.26 1tc5 s GLU 183 CO -0.00 0.33 0.15 0.45 0.02 0.00 0.00 175.26 176.21 1tc5 s SER 184 N -0.10 -0.08 0.00 -0.19 0.15 -1.26 -0.71 113.70 111.50 1tc5 s SER 184 Ca -0.03 0.09 0.29 0.00 0.70 0.00 0.00 55.95 57.01 1tc5 s SER 184 Cb -0.12 0.28 1.69 0.00 -1.71 0.00 0.00 66.02 66.16 1tc5 s SER 184 CO 0.03 -0.20 2.10 -0.62 1.20 0.00 0.00 173.24 175.75 1tc5 n GLU 185 N 2.31 1.08 0.00 5.44 -0.58 -1.26 -4.81 120.64 122.81 1tc5 n GLU 185 Ca -0.17 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1tc5 n GLU 185 Cb 0.57 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.98 1tc5 n GLU 185 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1tc5 n GLY 186 N 0.99 1.12 0.27 0.62 0.00 -1.26 -5.05 105.19 101.88 1tc5 n GLY 186 Ca 0.22 0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.58 1tc5 n GLY 186 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tc5 h PRO 187 N 0.00 0.00 -6.54 1.61 0.11 -1.88 -3.41 132.00 121.90 1tc5 h PRO 187 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1tc5 h PRO 187 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 1tc5 h PRO 187 CO 0.00 0.00 -0.90 0.34 -0.21 0.00 0.00 178.00 177.23 1tc5 n PHE 188 N -4.41 -1.62 -2.04 0.65 7.35 -1.26 -0.40 117.46 115.73 1tc5 n PHE 188 Ca -0.03 0.72 -0.42 0.00 -0.76 0.00 0.00 57.45 56.97 1tc5 n PHE 188 Cb 0.11 -3.66 -0.03 0.00 0.35 0.00 0.00 39.48 36.24 1tc5 n PHE 188 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1tc5 s THR 189 N -3.98 2.96 0.16 -2.13 2.01 -1.26 -4.70 115.64 108.71 1tc5 s THR 189 Ca 0.01 0.67 0.08 0.00 0.31 0.00 0.00 61.69 62.77 1tc5 s THR 189 Cb -0.01 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1tc5 s THR 189 CO 0.90 0.05 -0.05 -1.00 -0.69 0.00 0.00 174.62 173.82 1tc5 s HIS 190 N 1.24 2.75 -0.18 4.92 3.76 -0.30 -4.97 115.29 122.51 1tc5 s HIS 190 Ca 0.68 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1tc5 s HIS 190 Cb -0.40 -1.35 0.05 0.00 1.11 0.00 0.00 32.58 31.99 1tc5 s HIS 190 CO 0.31 0.50 -0.00 1.41 -0.85 0.00 0.00 174.74 176.10 1tc5 s MET 191 N -2.77 1.00 -0.10 1.40 1.75 -1.26 -0.53 119.30 118.79 1tc5 s MET 191 Ca 0.25 -0.48 0.02 0.00 -1.25 0.00 0.00 55.69 54.24 1tc5 s MET 191 Cb -0.09 -2.04 -0.01 0.00 2.84 0.00 0.00 34.83 35.52 1tc5 s MET 191 CO 0.16 -0.55 -0.18 -0.06 -0.65 0.00 0.00 175.02 173.75 1tc5 s PHE 192 N 1.74 2.67 -0.22 4.11 0.08 -0.60 -5.00 117.98 120.76 1tc5 s PHE 192 Ca -0.01 -0.72 -0.16 0.00 0.12 0.00 0.00 56.93 56.16 1tc5 s PHE 192 Cb -0.16 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1tc5 s PHE 192 CO -0.07 -0.23 0.40 -0.51 -0.10 0.00 0.00 175.22 174.71 1tc5 s ASP 193 N 0.16 6.40 0.00 1.36 1.01 -1.26 -1.37 116.67 122.97 1tc5 s ASP 193 Ca -0.10 0.48 0.08 0.00 0.71 0.00 0.00 52.55 53.71 1tc5 s ASP 193 Cb -0.16 -2.23 0.06 0.00 1.01 0.00 0.00 42.92 41.60 1tc5 s ASP 193 CO 0.06 -0.12 0.74 -0.38 0.21 0.00 0.00 175.17 175.69