#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo0 n ASP 5 N 0.00 3.56 -3.73 4.31 10.43 -1.26 -4.74 116.55 125.12 1oo0 n ASP 5 Ca 0.00 1.21 -0.13 0.00 2.57 0.00 0.00 54.79 58.43 1oo0 n ASP 5 Cb 0.00 -1.58 -0.09 0.00 1.84 0.00 0.00 41.12 41.28 1oo0 n ASP 5 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 1oo0 s PHE 6 N -0.88 -0.40 -0.19 1.24 5.36 -1.26 0.10 117.98 121.96 1oo0 s PHE 6 Ca 0.56 0.91 -0.28 0.00 -0.96 0.00 0.00 56.93 57.16 1oo0 s PHE 6 Cb -0.50 0.15 0.09 0.00 -0.34 0.00 0.00 43.02 42.42 1oo0 s PHE 6 CO 0.60 -0.28 0.79 -0.47 -1.46 0.00 0.00 175.22 174.41 1oo0 s TYR 7 N -0.23 -0.64 -0.17 10.12 5.04 -0.74 -2.72 117.35 128.00 1oo0 s TYR 7 Ca -0.04 1.38 -0.09 0.00 -2.44 0.00 0.00 57.07 55.89 1oo0 s TYR 7 Cb -0.03 0.35 0.06 0.00 0.35 0.00 0.00 41.96 42.69 1oo0 s TYR 7 CO 0.02 -0.42 0.40 -1.17 -1.34 0.00 0.00 175.55 173.04 1oo0 s LEU 8 N -0.33 -0.10 -0.05 6.97 2.96 -0.79 -1.08 118.68 126.27 1oo0 s LEU 8 Ca -0.03 0.88 -0.03 0.00 -0.22 0.00 0.00 54.13 54.73 1oo0 s LEU 8 Cb -0.03 1.32 0.02 0.00 0.50 0.00 0.00 46.19 48.00 1oo0 s LEU 8 CO 0.03 -0.19 0.11 -0.60 -1.32 0.00 0.00 176.35 174.38 1oo0 s ARG 9 N 1.45 0.11 -0.02 1.98 3.52 -0.19 -0.49 118.95 125.31 1oo0 s ARG 9 Ca -0.09 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.73 1oo0 s ARG 9 Cb -0.09 -0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 1oo0 s ARG 9 CO -0.13 -0.06 -0.05 -0.47 -0.81 0.00 0.00 175.30 173.78 1oo0 s TYR 10 N 0.39 0.60 -0.01 5.12 5.04 -0.49 -0.56 117.35 127.44 1oo0 s TYR 10 Ca -0.03 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 1oo0 s TYR 10 Cb -0.04 -0.45 -0.00 0.00 0.35 0.00 0.00 41.96 41.82 1oo0 s TYR 10 CO -0.02 -0.07 -0.07 -0.47 -1.34 0.00 0.00 175.55 173.59 1oo0 s TYR 11 N 0.23 0.60 -0.06 4.97 5.04 -0.11 -1.18 117.35 126.83 1oo0 s TYR 11 Ca -0.03 -0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.46 1oo0 s TYR 11 Cb -0.07 -0.39 0.03 0.00 0.35 0.00 0.00 41.96 41.89 1oo0 s TYR 11 CO -0.00 -0.01 0.14 0.54 -1.34 0.00 0.00 175.55 174.87 1oo0 s VAL 12 N -0.14 -0.03 0.04 3.14 0.11 0.16 -0.68 120.40 122.99 1oo0 s VAL 12 Ca 0.02 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.15 1oo0 s VAL 12 Cb -0.03 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1oo0 s VAL 12 CO -0.00 0.05 0.08 -0.83 -3.33 0.00 0.00 175.10 171.07 1oo0 s GLY 13 N 0.83 0.19 0.08 6.54 0.00 -0.52 -0.71 107.32 113.73 1oo0 s GLY 13 Ca -0.06 -0.58 -0.26 0.00 0.00 0.00 0.00 44.72 43.82 1oo0 s GLY 13 CO -0.04 -0.71 0.71 -2.38 0.00 0.00 0.00 173.10 170.69 1oo0 s HIS 14 N -2.55 -0.48 -0.42 1.90 -3.43 -0.25 -1.79 115.29 108.28 1oo0 s HIS 14 Ca -0.05 0.34 -0.05 0.00 -0.80 0.00 0.00 55.06 54.49 1oo0 s HIS 14 Cb -0.02 0.54 0.11 0.00 -1.43 0.00 0.00 32.58 31.79 1oo0 s HIS 14 CO -0.04 -0.72 0.24 0.21 -2.00 0.00 0.00 174.74 172.42 1oo0 s LYS 15 N -3.34 2.18 0.44 -0.38 2.20 -0.70 -1.96 119.74 118.19 1oo0 s LYS 15 Ca 0.02 -1.76 0.08 0.00 -0.36 0.00 0.00 55.97 53.94 1oo0 s LYS 15 Cb -0.01 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1oo0 s LYS 15 CO -0.10 -1.08 0.55 0.20 -0.36 0.00 0.00 175.35 174.56 1oo0 s GLY 16 N 2.05 1.98 0.44 5.54 0.00 -1.04 -4.87 107.32 111.42 1oo0 s GLY 16 Ca 0.07 -1.77 0.22 0.00 0.00 0.00 0.00 44.72 43.24 1oo0 s GLY 16 CO -0.03 -1.58 1.80 1.70 0.00 0.00 0.00 173.10 174.99 1oo0 h LYS 17 N 0.67 0.29 -0.60 2.90 3.64 -1.99 0.36 116.57 121.84 1oo0 h LYS 17 Ca -0.39 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1oo0 h LYS 17 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1oo0 h LYS 17 CO 0.48 0.19 0.00 1.19 -2.27 0.00 0.00 179.45 179.04 1oo0 n PHE 18 N -4.51 1.01 0.00 1.91 3.01 -1.26 -5.05 117.46 112.57 1oo0 n PHE 18 Ca 0.24 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1oo0 n PHE 18 Cb 0.92 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 40.26 1oo0 n PHE 18 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1oo0 n GLY 19 N 1.11 1.59 3.01 1.37 0.00 0.12 -4.94 105.19 107.45 1oo0 n GLY 19 Ca 0.19 -2.09 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 1oo0 n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oo0 n HIS 20 N 0.56 -1.97 0.00 1.61 8.25 -1.26 -2.50 115.22 119.91 1oo0 n HIS 20 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1oo0 n HIS 20 Cb 0.00 -1.41 0.00 0.00 1.12 0.00 0.00 29.99 29.70 1oo0 n HIS 20 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1oo0 n GLU 21 N -0.86 0.00 -3.62 -0.41 2.13 -0.83 -4.79 120.64 112.26 1oo0 n GLU 21 Ca 0.03 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.72 1oo0 n GLU 21 Cb 0.38 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.03 1oo0 n GLU 21 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1oo0 s PHE 22 N -0.75 -0.36 -0.01 4.31 -0.12 -0.77 -1.09 117.98 119.19 1oo0 s PHE 22 Ca 0.00 0.41 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 1oo0 s PHE 22 Cb 0.00 0.28 0.01 0.00 -0.63 0.00 0.00 43.02 42.68 1oo0 s PHE 22 CO 0.00 -0.59 0.01 -1.17 -0.05 0.00 0.00 175.22 173.41 1oo0 s LEU 23 N -1.87 1.65 -0.13 -1.99 2.96 0.11 -0.29 118.68 119.12 1oo0 s LEU 23 Ca -0.06 0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1oo0 s LEU 23 Cb -0.01 -0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.65 1oo0 s LEU 23 CO -0.01 -0.04 0.33 -0.70 -1.32 0.00 0.00 176.35 174.61 1oo0 s GLU 24 N 0.41 0.37 0.05 1.98 2.12 0.19 -0.67 118.70 123.15 1oo0 s GLU 24 Ca -0.03 0.50 -0.03 0.00 0.36 0.00 0.00 54.97 55.77 1oo0 s GLU 24 Cb -0.05 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 1oo0 s GLU 24 CO -0.01 -0.07 0.02 -0.59 -0.54 0.00 0.00 175.26 174.07 1oo0 s PHE 25 N 0.41 0.39 -0.10 5.30 -0.12 -0.33 -0.38 117.98 123.15 1oo0 s PHE 25 Ca -0.02 -0.84 -0.09 0.00 -0.05 0.00 0.00 56.93 55.93 1oo0 s PHE 25 Cb -0.04 -0.28 0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1oo0 s PHE 25 CO -0.02 -0.37 0.26 -2.00 -0.05 0.00 0.00 175.22 173.04 1oo0 s GLU 26 N -3.37 0.30 -0.16 1.99 2.12 -0.03 -1.40 118.70 118.15 1oo0 s GLU 26 Ca 0.02 0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.72 1oo0 s GLU 26 Cb 0.04 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.58 1oo0 s GLU 26 CO -0.08 -0.04 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.35 1oo0 s PHE 27 N 0.16 2.76 0.30 5.30 0.08 0.35 -1.12 117.98 125.80 1oo0 s PHE 27 Ca -0.00 -1.39 0.03 0.00 0.12 0.00 0.00 56.93 55.69 1oo0 s PHE 27 Cb -0.02 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1oo0 s PHE 27 CO 0.00 -0.66 0.45 1.03 -0.10 0.00 0.00 175.22 175.94 1oo0 s ARG 28 N 1.06 3.44 0.66 0.44 0.52 -0.44 -1.88 118.95 122.75 1oo0 s ARG 28 Ca -0.01 -0.57 0.33 0.00 -0.52 0.00 0.00 55.73 54.96 1oo0 s ARG 28 Cb -0.14 -2.78 1.83 0.00 0.52 0.00 0.00 34.95 34.37 1oo0 s ARG 28 CO -0.06 0.28 2.05 -1.00 0.02 0.00 0.00 175.30 176.58 1oo0 h PRO 29 N 0.96 0.00 -0.23 3.54 0.13 -1.86 -0.35 132.00 134.19 1oo0 h PRO 29 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1oo0 h PRO 29 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1oo0 h PRO 29 CO 0.61 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.98 1oo0 n ASP 30 N -3.06 1.52 0.00 1.44 5.75 -1.26 -4.87 116.55 116.07 1oo0 n ASP 30 Ca -0.01 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1oo0 n ASP 30 Cb 0.31 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1oo0 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oo0 n GLY 31 N 1.03 0.75 3.68 6.12 0.00 -0.14 -4.89 105.19 111.74 1oo0 n GLY 31 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1oo0 n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oo0 s LYS 32 N -0.38 4.38 -0.21 1.61 2.20 -1.24 -0.44 119.74 125.66 1oo0 s LYS 32 Ca 0.00 1.43 -0.09 0.00 -0.36 0.00 0.00 55.97 56.95 1oo0 s LYS 32 Cb 0.00 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1oo0 s LYS 32 CO 0.00 -0.39 0.10 -1.17 -0.36 0.00 0.00 175.35 173.53 1oo0 s LEU 33 N 2.25 3.89 -0.05 5.43 2.96 0.12 -1.32 118.68 131.97 1oo0 s LEU 33 Ca 0.49 0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.52 1oo0 s LEU 33 Cb -0.19 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1oo0 s LEU 33 CO 0.17 0.10 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.92 1oo0 s ARG 34 N 0.82 2.43 -0.03 1.98 0.52 -0.28 -1.17 118.95 123.22 1oo0 s ARG 34 Ca 0.05 -0.90 -0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1oo0 s ARG 34 Cb -0.13 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.22 1oo0 s ARG 34 CO 0.02 0.44 0.07 -0.47 0.02 0.00 0.00 175.30 175.39 1oo0 s TYR 35 N -0.31 -0.06 -0.03 -0.53 5.04 0.14 -0.85 117.35 120.75 1oo0 s TYR 35 Ca 0.01 0.23 -0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1oo0 s TYR 35 Cb -0.13 -0.07 0.03 0.00 0.35 0.00 0.00 41.96 42.14 1oo0 s TYR 35 CO 0.02 -0.08 0.05 0.00 -1.34 0.00 0.00 175.55 174.20 1oo0 s ALA 36 N 0.58 0.05 -0.11 3.97 0.00 0.48 -0.69 121.76 126.04 1oo0 s ALA 36 Ca -0.05 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1oo0 s ALA 36 Cb -0.06 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.81 1oo0 s ALA 36 CO -0.02 -0.14 0.19 1.21 0.00 0.00 0.00 175.76 176.99 1oo0 s ASN 37 N 1.17 0.76 -0.53 0.00 3.84 0.55 -0.63 114.94 120.10 1oo0 s ASN 37 Ca -0.08 0.31 0.07 0.00 0.21 0.00 0.00 52.86 53.37 1oo0 s ASN 37 Cb -0.13 0.36 0.26 0.00 -0.55 0.00 0.00 41.25 41.20 1oo0 s ASN 37 CO -0.03 -0.25 0.68 -3.20 -2.79 0.00 0.00 177.10 171.51 1oo0 n ASN 38 N 5.33 2.42 -0.09 -4.21 5.15 0.61 -0.87 115.26 123.59 1oo0 n ASN 38 Ca -0.05 -3.18 0.10 0.00 -0.60 0.00 0.00 54.58 50.85 1oo0 n ASN 38 Cb 0.50 -0.65 -0.09 0.00 -0.53 0.00 0.00 39.78 39.01 1oo0 n ASN 38 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1oo0 n SER 39 N 0.93 1.16 -4.28 1.20 7.64 -1.24 -1.85 113.62 117.18 1oo0 n SER 39 Ca 0.27 -1.08 -0.45 0.00 1.01 0.00 0.00 58.87 58.62 1oo0 n SER 39 Cb 0.46 0.90 -0.06 0.00 -1.01 0.00 0.00 64.21 64.50 1oo0 n SER 39 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1oo0 s ASN 40 N -2.81 6.10 0.00 6.43 3.84 -1.26 -4.91 114.94 122.33 1oo0 s ASN 40 Ca 0.10 -1.92 0.20 0.00 0.21 0.00 0.00 52.86 51.45 1oo0 s ASN 40 Cb 0.16 -2.15 1.20 0.00 -0.55 0.00 0.00 41.25 39.90 1oo0 s ASN 40 CO 0.78 -0.78 1.76 0.00 -2.79 0.00 0.00 177.10 176.07 1oo0 n TYR 41 N 5.02 0.00 0.74 0.43 0.18 -1.26 -3.01 117.16 119.25 1oo0 n TYR 41 Ca -0.10 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.80 1oo0 n TYR 41 Cb 0.41 0.00 0.28 0.00 -0.38 0.00 0.00 39.34 39.65 1oo0 n TYR 41 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1oo0 n LYS 42 N -0.82 2.16 -4.00 -3.48 5.02 -1.26 -4.87 118.16 110.91 1oo0 n LYS 42 Ca 0.15 -1.74 -0.08 0.00 -2.02 0.00 0.00 58.31 54.61 1oo0 n LYS 42 Cb 0.07 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 1oo0 n LYS 42 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1oo0 s ASN 43 N -1.52 0.31 0.00 4.39 2.20 -1.16 -5.04 114.94 114.11 1oo0 s ASN 43 Ca 0.35 -0.71 0.19 0.00 -0.94 0.00 0.00 52.86 51.76 1oo0 s ASN 43 Cb 0.20 0.19 0.56 0.00 -2.00 0.00 0.00 41.25 40.19 1oo0 s ASN 43 CO 0.29 -0.50 1.44 -0.90 -2.94 0.00 0.00 177.10 174.50 1oo0 n ASP 44 N 0.71 2.42 -4.98 3.54 5.75 -1.26 -4.91 116.55 117.81 1oo0 n ASP 44 Ca -0.18 -1.88 -0.19 0.00 -0.01 0.00 0.00 54.79 52.52 1oo0 n ASP 44 Cb 0.59 -0.21 0.05 0.00 -1.03 0.00 0.00 41.12 40.51 1oo0 n ASP 44 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1oo0 s THR 45 N -1.57 2.39 0.06 2.12 -4.23 -1.26 -5.13 115.64 108.02 1oo0 s THR 45 Ca 0.34 -0.93 -0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1oo0 s THR 45 Cb 0.18 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1oo0 s THR 45 CO 0.26 0.00 -0.04 -0.32 -0.54 0.00 0.00 174.62 173.98 1oo0 s MET 46 N -4.65 0.65 -0.25 3.99 1.75 -1.26 -4.92 119.30 114.61 1oo0 s MET 46 Ca 0.60 -1.21 -0.08 0.00 -1.25 0.00 0.00 55.69 53.75 1oo0 s MET 46 Cb -0.07 0.10 -0.04 0.00 2.84 0.00 0.00 34.83 37.66 1oo0 s MET 46 CO 0.38 -0.08 0.11 0.42 -0.65 0.00 0.00 175.02 175.19 1oo0 s ILE 47 N -3.68 4.71 -0.14 10.11 1.01 -0.05 -4.96 121.20 128.19 1oo0 s ILE 47 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1oo0 s ILE 47 Cb 0.06 -3.20 0.05 0.00 0.01 0.00 0.00 42.46 39.38 1oo0 s ILE 47 CO -0.08 0.33 0.05 -0.60 0.00 0.00 0.00 174.94 174.64 1oo0 s ARG 48 N 1.45 0.30 0.10 2.79 3.52 -1.26 -0.33 118.95 125.52 1oo0 s ARG 48 Ca 0.06 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 1oo0 s ARG 48 Cb -0.15 -1.56 -0.04 0.00 -1.56 0.00 0.00 34.95 31.64 1oo0 s ARG 48 CO 0.05 -0.55 -0.02 0.15 -0.81 0.00 0.00 175.30 174.12 1oo0 s LYS 49 N 2.04 0.83 0.04 5.12 -0.14 0.14 -5.01 119.74 122.75 1oo0 s LYS 49 Ca 0.02 -1.35 -0.11 0.00 -1.36 0.00 0.00 55.97 53.17 1oo0 s LYS 49 Cb -0.15 -0.01 0.01 0.00 -1.68 0.00 0.00 37.83 36.00 1oo0 s LYS 49 CO -0.07 -0.11 0.24 -1.83 -0.76 0.00 0.00 175.35 172.82 1oo0 s GLU 50 N -3.91 0.73 0.09 1.68 -1.05 -1.26 -0.68 118.70 114.30 1oo0 s GLU 50 Ca 0.14 -0.55 -0.26 0.00 -0.15 0.00 0.00 54.97 54.16 1oo0 s GLU 50 Cb 0.07 0.31 0.08 0.00 -0.44 0.00 0.00 34.13 34.14 1oo0 s GLU 50 CO -0.04 -0.22 0.81 0.00 0.95 0.00 0.00 175.26 176.77 1oo0 s ALA 51 N -2.44 -1.68 -0.17 -0.84 0.00 -0.32 -4.99 121.76 111.32 1oo0 s ALA 51 Ca -0.06 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 1oo0 s ALA 51 Cb -0.01 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1oo0 s ALA 51 CO -0.03 -0.81 0.03 -0.06 0.00 0.00 0.00 175.76 174.89 1oo0 s PHE 52 N -3.38 3.19 0.15 0.00 0.08 -1.26 0.15 117.98 116.91 1oo0 s PHE 52 Ca 0.06 -0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.12 1oo0 s PHE 52 Cb -0.02 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1oo0 s PHE 52 CO -0.06 0.12 0.25 0.14 -0.10 0.00 0.00 175.22 175.56 1oo0 s VAL 53 N 0.31 5.12 0.65 -0.44 -7.23 0.41 -4.95 120.40 114.27 1oo0 s VAL 53 Ca 0.01 -0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 59.24 1oo0 s VAL 53 Cb -0.13 -3.63 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 1oo0 s VAL 53 CO 0.01 -0.09 1.17 -2.28 -0.31 0.00 0.00 175.10 173.60 1oo0 s HIS 54 N -1.74 2.40 0.58 2.82 2.46 -1.26 -4.73 115.29 115.81 1oo0 s HIS 54 Ca 0.34 1.55 0.28 0.00 0.47 0.00 0.00 55.06 57.70 1oo0 s HIS 54 Cb -0.11 -3.36 1.52 0.00 -0.13 0.00 0.00 32.58 30.50 1oo0 s HIS 54 CO 0.27 -2.09 1.98 0.37 -2.47 0.00 0.00 174.74 172.80 1oo0 h GLN 55 N 0.33 0.00 -0.04 2.88 5.75 -1.98 0.03 115.11 122.09 1oo0 h GLN 55 Ca -0.48 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 57.96 1oo0 h GLN 55 Cb 1.28 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 1oo0 h GLN 55 CO 0.53 0.00 -0.25 0.66 -2.65 0.00 0.00 178.83 177.12 1oo0 h SER 56 N 0.00 0.06 -0.18 -0.69 4.64 -1.99 0.70 113.55 116.10 1oo0 h SER 56 Ca 0.18 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 1oo0 h SER 56 Cb 0.94 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1oo0 h SER 56 CO -0.00 0.32 -0.11 0.58 -0.87 0.00 0.00 176.83 176.75 1oo0 h VAL 57 N 0.06 1.32 -0.79 0.95 2.07 -1.34 -0.85 116.25 117.68 1oo0 h VAL 57 Ca 0.01 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1oo0 h VAL 57 Cb 0.49 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1oo0 h VAL 57 CO 0.03 0.36 0.36 0.24 0.02 0.00 0.00 177.57 178.58 1oo0 h MET 58 N 0.05 1.14 -0.55 1.57 2.07 -1.32 -0.75 114.93 117.14 1oo0 h MET 58 Ca 0.04 -0.17 -0.11 0.00 -2.07 0.00 0.00 59.70 57.39 1oo0 h MET 58 Cb 0.60 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 30.11 1oo0 h MET 58 CO 0.03 0.89 -0.08 0.93 1.07 0.00 0.00 176.91 179.75 1oo0 h GLU 59 N 1.12 1.01 -0.50 1.72 4.39 -0.66 -1.39 114.58 120.27 1oo0 h GLU 59 Ca 0.27 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1oo0 h GLU 59 Cb 0.14 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1oo0 h GLU 59 CO -0.03 1.03 -0.03 1.49 -1.16 0.00 0.00 179.01 180.32 1oo0 h GLU 60 N 0.91 0.85 -0.23 2.33 4.57 -0.77 -0.26 114.58 121.98 1oo0 h GLU 60 Ca 0.15 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1oo0 h GLU 60 Cb 0.63 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1oo0 h GLU 60 CO 0.04 0.87 0.14 1.25 -1.18 0.00 0.00 179.01 180.13 1oo0 h LEU 61 N 0.79 0.24 -0.86 1.64 5.85 -0.82 0.11 115.31 122.25 1oo0 h LEU 61 Ca 0.15 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1oo0 h LEU 61 Cb 0.51 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1oo0 h LEU 61 CO 0.03 0.17 0.49 0.11 -0.34 0.00 0.00 178.44 178.90 1oo0 h LYS 62 N 0.29 1.18 -0.30 1.25 1.57 -0.91 -0.59 116.57 119.07 1oo0 h LYS 62 Ca 0.09 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1oo0 h LYS 62 Cb -0.02 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1oo0 h LYS 62 CO -0.03 0.85 0.18 -0.09 -0.57 0.00 0.00 179.45 179.79 1oo0 h ARG 63 N 1.19 0.36 -0.59 3.15 2.43 -0.31 0.16 114.38 120.77 1oo0 h ARG 63 Ca 0.30 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1oo0 h ARG 63 Cb -0.00 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1oo0 h ARG 63 CO -0.05 0.24 0.32 0.82 -1.51 0.00 0.00 179.97 179.78 1oo0 h ILE 64 N 0.37 1.20 -0.48 1.20 2.04 -0.36 -0.35 117.51 121.13 1oo0 h ILE 64 Ca 0.11 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1oo0 h ILE 64 Cb -0.02 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1oo0 h ILE 64 CO -0.04 0.21 0.11 0.40 0.00 0.00 0.00 178.15 178.83 1oo0 h ILE 65 N 0.80 1.24 -0.39 -0.67 2.04 -0.74 -2.26 117.51 117.53 1oo0 h ILE 65 Ca 0.21 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1oo0 h ILE 65 Cb 0.06 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1oo0 h ILE 65 CO -0.03 0.30 0.12 0.40 0.00 0.00 0.00 178.15 178.94 1oo0 h ILE 66 N 0.65 1.22 0.00 -0.67 1.08 -0.46 -2.67 117.51 116.65 1oo0 h ILE 66 Ca 0.15 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1oo0 h ILE 66 Cb 0.34 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1oo0 h ILE 66 CO 0.00 0.25 -0.16 0.44 -0.69 0.00 0.00 178.15 177.99 1oo0 h ASP 67 N 0.48 0.00 1.22 1.72 5.19 -0.96 -1.85 116.42 122.22 1oo0 h ASP 67 Ca 0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1oo0 h ASP 67 Cb 0.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 1oo0 h ASP 67 CO -0.00 0.16 -0.07 0.77 -3.12 0.00 0.00 179.24 176.98 1oo0 h SER 68 N 0.00 0.00 -0.22 6.45 4.64 -1.05 -3.46 113.55 119.90 1oo0 h SER 68 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1oo0 h SER 68 Cb 0.37 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1oo0 h SER 68 CO 0.02 0.07 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.34 1oo0 n GLU 69 N -3.17 -0.98 -0.04 4.77 1.02 -0.70 -4.90 120.64 116.65 1oo0 n GLU 69 Ca 0.01 0.53 0.02 0.00 -0.02 0.00 0.00 57.16 57.71 1oo0 n GLU 69 Cb 0.39 -4.43 0.37 0.00 -0.02 0.00 0.00 31.44 27.75 1oo0 n GLU 69 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1oo0 h ILE 70 N 0.00 1.14 0.00 -3.67 6.09 -1.84 -2.27 117.51 116.96 1oo0 h ILE 70 Ca -0.10 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1oo0 h ILE 70 Cb 0.64 0.50 0.00 0.00 0.47 0.00 0.00 36.82 38.43 1oo0 h ILE 70 CO 0.14 0.15 0.13 0.24 -3.07 0.00 0.00 178.15 175.74 1oo0 h MET 71 N 0.64 0.00 -0.02 2.19 2.86 -1.91 0.32 114.93 119.01 1oo0 h MET 71 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1oo0 h MET 71 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1oo0 h MET 71 CO -0.03 0.00 -0.32 1.04 1.06 0.00 0.00 176.91 178.66 1oo0 n GLN 72 N -2.37 1.55 -2.08 1.72 3.00 -0.85 -4.97 117.38 113.37 1oo0 n GLN 72 Ca -0.02 -1.27 -0.28 0.00 -0.01 0.00 0.00 57.00 55.43 1oo0 n GLN 72 Cb 0.17 -1.47 0.06 0.00 0.00 0.00 0.00 30.24 28.99 1oo0 n GLN 72 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1oo0 s GLU 73 N -2.33 2.51 -0.06 -1.09 0.41 0.10 -5.11 118.70 113.13 1oo0 s GLU 73 Ca 0.22 0.10 -0.03 0.00 -0.41 0.00 0.00 54.97 54.85 1oo0 s GLU 73 Cb 0.19 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.47 1oo0 s GLU 73 CO 0.48 -1.13 0.15 0.34 -0.49 0.00 0.00 175.26 174.61 1oo0 s ASP 74 N -4.43 -0.12 0.00 -0.19 2.15 -1.26 -5.05 116.67 107.76 1oo0 s ASP 74 Ca 0.58 0.30 0.28 0.00 0.43 0.00 0.00 52.55 54.15 1oo0 s ASP 74 Cb -0.11 0.22 1.30 0.00 -0.30 0.00 0.00 42.92 44.02 1oo0 s ASP 74 CO 0.48 -0.12 1.88 -0.90 -0.17 0.00 0.00 175.17 176.33 1oo0 n ASP 75 N 3.91 0.99 -0.17 -0.34 5.75 -1.26 -4.33 116.55 121.11 1oo0 n ASP 75 Ca -0.23 -1.36 -0.02 0.00 -0.01 0.00 0.00 54.79 53.17 1oo0 n ASP 75 Cb 0.54 -0.01 0.06 0.00 -1.03 0.00 0.00 41.12 40.67 1oo0 n ASP 75 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1oo0 h LEU 76 N 1.53 -0.33 -0.35 -2.12 5.85 -1.96 0.18 115.31 118.10 1oo0 h LEU 76 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1oo0 h LEU 76 Cb 0.33 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1oo0 h LEU 76 CO 0.00 -0.12 0.00 -0.81 -0.34 0.00 0.00 178.44 177.17 1oo0 n PRO 77 N -5.29 1.22 -2.72 5.25 -0.04 -1.26 -4.91 135.00 127.25 1oo0 n PRO 77 Ca 0.06 -0.34 -0.30 0.00 -0.04 0.00 0.00 63.50 62.87 1oo0 n PRO 77 Cb 0.28 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1oo0 n PRO 77 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1oo0 s TRP 78 N -1.90 3.50 0.40 0.54 0.52 0.61 -4.46 118.94 118.15 1oo0 s TRP 78 Ca 0.17 1.04 -0.27 0.00 0.02 0.00 0.00 56.10 57.06 1oo0 s TRP 78 Cb 0.08 -2.46 -0.10 0.00 -1.15 0.00 0.00 33.47 29.85 1oo0 s TRP 78 CO 0.13 -0.19 1.43 -1.25 0.02 0.00 0.00 176.95 177.08 1oo0 s PRO 79 N -4.12 4.00 0.72 4.98 0.04 -1.26 -4.96 135.00 134.40 1oo0 s PRO 79 Ca 0.51 2.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.89 1oo0 s PRO 79 Cb -0.10 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1oo0 s PRO 79 CO 0.35 -0.57 1.08 -1.25 0.04 0.00 0.00 177.00 176.66 1oo0 s PRO 80 N -2.18 2.77 0.67 0.56 0.04 -1.26 -3.04 135.00 132.56 1oo0 s PRO 80 Ca 0.55 0.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 1oo0 s PRO 80 Cb -0.44 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1oo0 s PRO 80 CO 0.59 -1.13 1.19 -1.25 0.04 0.00 0.00 177.00 176.43 1oo0 s PRO 81 N -5.25 2.55 0.39 0.56 0.04 -1.25 -3.36 135.00 128.68 1oo0 s PRO 81 Ca 0.58 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.37 1oo0 s PRO 81 Cb -0.12 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 1oo0 s PRO 81 CO 0.53 -1.51 0.14 0.16 0.04 0.00 0.00 177.00 176.37 1oo0 s ASP 82 N -1.99 2.60 0.00 6.66 1.47 -0.71 -4.87 116.67 119.83 1oo0 s ASP 82 Ca 0.74 -1.67 0.01 0.00 1.18 0.00 0.00 52.55 52.81 1oo0 s ASP 82 Cb -0.28 0.49 0.07 0.00 -0.34 0.00 0.00 42.92 42.86 1oo0 s ASP 82 CO 0.40 -0.94 0.94 0.54 0.68 0.00 0.00 175.17 176.79 1oo0 n ARG 83 N -0.86 0.01 -0.07 2.11 1.74 -1.26 -2.71 116.66 115.62 1oo0 n ARG 83 Ca -0.04 0.36 -0.08 0.00 -0.77 0.00 0.00 57.85 57.33 1oo0 n ARG 83 Cb 0.65 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.47 1oo0 n ARG 83 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1oo0 n VAL 84 N -1.38 1.02 -3.55 1.55 0.31 -1.26 -4.72 118.33 110.29 1oo0 n VAL 84 Ca 0.01 -0.62 -0.11 0.00 -0.01 0.00 0.00 64.34 63.60 1oo0 n VAL 84 Cb 0.01 -0.63 -0.04 0.00 -0.91 0.00 0.00 33.84 32.28 1oo0 n VAL 84 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1oo0 s GLY 85 N -4.86 -0.40 -0.25 2.92 0.00 -1.10 -1.72 107.32 101.92 1oo0 s GLY 85 Ca -0.08 0.16 -0.21 0.00 0.00 0.00 0.00 44.72 44.58 1oo0 s GLY 85 CO 0.60 -0.13 0.65 -1.60 0.00 0.00 0.00 173.10 172.62 1oo0 s ARG 86 N -3.76 0.74 0.03 2.90 3.52 -0.74 -1.73 118.95 119.91 1oo0 s ARG 86 Ca 0.02 0.95 0.05 0.00 -0.13 0.00 0.00 55.73 56.63 1oo0 s ARG 86 Cb 0.01 0.32 -0.02 0.00 -1.56 0.00 0.00 34.95 33.70 1oo0 s ARG 86 CO -0.12 -0.10 -0.16 -0.65 -0.81 0.00 0.00 175.30 173.46 1oo0 s GLN 87 N 0.57 1.12 -0.02 5.12 -0.21 0.17 -1.44 119.66 124.98 1oo0 s GLN 87 Ca -0.02 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.63 1oo0 s GLN 87 Cb -0.05 -1.15 0.00 0.00 1.00 0.00 0.00 33.01 32.82 1oo0 s GLN 87 CO -0.03 0.29 -0.07 -1.21 -2.12 0.00 0.00 175.29 172.16 1oo0 s GLU 88 N -0.96 0.70 -0.05 2.91 2.02 0.14 -1.21 118.70 122.25 1oo0 s GLU 88 Ca 0.04 -0.24 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 1oo0 s GLU 88 Cb -0.08 -0.68 0.03 0.00 0.10 0.00 0.00 34.13 33.50 1oo0 s GLU 88 CO 0.01 0.10 0.01 -1.17 0.02 0.00 0.00 175.26 174.24 1oo0 s LEU 89 N 0.11 0.71 -0.06 1.80 2.96 -0.53 -0.94 118.68 122.73 1oo0 s LEU 89 Ca -0.01 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1oo0 s LEU 89 Cb -0.06 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.35 1oo0 s LEU 89 CO -0.00 -0.17 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.10 1oo0 s GLU 90 N 1.64 1.80 -0.03 1.98 2.02 0.27 -0.64 118.70 125.75 1oo0 s GLU 90 Ca -0.01 -0.52 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 1oo0 s GLU 90 Cb -0.13 -1.50 0.01 0.00 0.10 0.00 0.00 34.13 32.61 1oo0 s GLU 90 CO -0.03 0.13 0.07 0.42 0.02 0.00 0.00 175.26 175.87 1oo0 s ILE 91 N 0.36 0.00 -0.11 -1.63 1.01 -0.55 -1.02 121.20 119.26 1oo0 s ILE 91 Ca -0.10 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1oo0 s ILE 91 Cb -0.14 -0.11 0.01 0.00 0.01 0.00 0.00 42.46 42.23 1oo0 s ILE 91 CO 0.03 -0.01 -0.18 -0.69 0.00 0.00 0.00 174.94 174.10 1oo0 s VAL 92 N 0.02 1.68 -0.17 2.92 1.01 -0.24 -1.21 120.40 124.40 1oo0 s VAL 92 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1oo0 s VAL 92 Cb -0.01 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.93 1oo0 s VAL 92 CO 0.00 0.48 0.04 -0.63 0.00 0.00 0.00 175.10 174.98 1oo0 s ILE 93 N 0.79 0.42 0.00 2.22 1.01 0.78 -1.80 121.20 124.62 1oo0 s ILE 93 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1oo0 s ILE 93 Cb -0.16 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1oo0 s ILE 93 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1oo0 n GLY 94 N 5.09 3.26 0.08 6.18 0.00 0.12 -1.39 105.19 118.53 1oo0 n GLY 94 Ca -0.08 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1oo0 n GLY 94 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1oo0 h ASP 95 N 0.00 0.10 -3.67 1.61 -0.00 -1.97 -3.41 116.42 109.08 1oo0 h ASP 95 Ca 0.00 -0.14 -0.50 0.00 -0.00 0.00 0.00 57.03 56.39 1oo0 h ASP 95 Cb 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.28 1oo0 h ASP 95 CO 0.00 1.11 0.33 -1.61 -0.00 0.00 0.00 179.24 179.07 1oo0 s GLU 96 N -2.65 4.77 0.03 4.15 2.02 -0.48 -5.07 118.70 121.47 1oo0 s GLU 96 Ca -0.04 1.43 0.01 0.00 0.02 0.00 0.00 54.97 56.39 1oo0 s GLU 96 Cb 0.08 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1oo0 s GLU 96 CO 0.83 0.44 -0.05 -1.58 0.02 0.00 0.00 175.26 174.92 1oo0 s HIS 97 N -0.84 0.39 0.03 1.61 5.65 -1.26 -0.16 115.29 120.71 1oo0 s HIS 97 Ca 0.42 -0.49 -0.12 0.00 0.25 0.00 0.00 55.06 55.12 1oo0 s HIS 97 Cb -0.25 -0.25 0.01 0.00 -1.18 0.00 0.00 32.58 30.91 1oo0 s HIS 97 CO 0.30 -0.14 0.25 0.96 -0.65 0.00 0.00 174.74 175.46 1oo0 s ILE 98 N -1.35 0.09 -0.23 0.89 -4.36 -0.35 -5.00 121.20 110.89 1oo0 s ILE 98 Ca -0.13 -0.73 -0.03 0.00 -0.26 0.00 0.00 60.65 59.50 1oo0 s ILE 98 Cb -0.09 -0.83 0.12 0.00 1.25 0.00 0.00 42.46 42.91 1oo0 s ILE 98 CO -0.00 -0.40 0.32 -0.55 0.24 0.00 0.00 174.94 174.54 1oo0 s SER 99 N -1.88 0.66 0.08 4.36 0.15 -1.26 -1.49 113.70 114.32 1oo0 s SER 99 Ca -0.07 0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1oo0 s SER 99 Cb -0.02 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.10 1oo0 s SER 99 CO -0.02 -0.31 -0.09 -0.36 1.20 0.00 0.00 173.24 173.66 1oo0 s PHE 100 N 2.46 2.77 -0.05 3.44 0.08 0.19 -4.89 117.98 121.99 1oo0 s PHE 100 Ca 0.11 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.01 1oo0 s PHE 100 Cb -0.16 -1.48 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1oo0 s PHE 100 CO -0.15 0.40 0.10 0.99 -0.10 0.00 0.00 175.22 176.46 1oo0 s THR 101 N -1.15 -0.08 0.11 0.64 2.01 -1.26 -1.45 115.64 114.46 1oo0 s THR 101 Ca 0.20 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.42 1oo0 s THR 101 Cb -0.11 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.23 1oo0 s THR 101 CO 0.12 0.10 0.17 1.07 -0.69 0.00 0.00 174.62 175.38 1oo0 n THR 102 N 4.42 0.00 -2.18 -0.82 5.66 -0.35 -4.56 114.28 116.45 1oo0 n THR 102 Ca -0.23 -0.49 -0.20 0.00 -3.05 0.00 0.00 64.05 60.09 1oo0 n THR 102 Cb 0.51 0.33 0.12 0.00 -1.55 0.00 0.00 70.33 69.73 1oo0 n THR 102 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1oo0 n SER 103 N -1.80 0.63 -4.77 1.09 3.41 -1.17 -0.65 113.62 110.35 1oo0 n SER 103 Ca -0.00 -1.66 -0.39 0.00 -0.26 0.00 0.00 58.87 56.56 1oo0 n SER 103 Cb 0.18 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.49 1oo0 n SER 103 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1oo0 s LYS 104 N -4.78 4.26 0.07 4.33 1.02 -1.26 -4.07 119.74 119.32 1oo0 s LYS 104 Ca 0.53 1.96 -0.31 0.00 0.02 0.00 0.00 55.97 58.18 1oo0 s LYS 104 Cb -0.02 -2.90 -0.09 0.00 -0.52 0.00 0.00 37.83 34.30 1oo0 s LYS 104 CO 0.36 -0.18 1.69 0.99 -0.92 0.00 0.00 175.35 177.29 1oo0 s THR 105 N -1.27 2.97 0.00 2.17 2.01 -1.26 -5.00 115.64 115.26 1oo0 s THR 105 Ca 0.52 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.93 1oo0 s THR 105 Cb -0.34 -3.26 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1oo0 s THR 105 CO 0.44 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 1oo0 n GLY 106 N 4.05 0.44 3.94 4.40 0.00 -1.26 -5.08 105.19 111.67 1oo0 n GLY 106 Ca 0.16 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 1oo0 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oo0 s SER 107 N -1.00 4.18 0.31 1.61 1.04 -1.26 -4.83 113.70 113.75 1oo0 s SER 107 Ca 0.00 0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.76 1oo0 s SER 107 Cb 0.00 -0.70 0.63 0.00 0.10 0.00 0.00 66.02 66.05 1oo0 s SER 107 CO 0.00 -2.03 1.86 0.25 0.98 0.00 0.00 173.24 174.31 1oo0 h LEU 108 N -0.96 0.84 0.03 2.42 5.85 -1.99 -0.29 115.31 121.21 1oo0 h LEU 108 Ca -0.43 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1oo0 h LEU 108 Cb 1.28 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1oo0 h LEU 108 CO 0.51 0.46 -0.01 0.58 -0.34 0.00 0.00 178.44 179.64 1oo0 h VAL 109 N 0.91 1.12 0.02 1.05 2.07 -1.99 -1.13 116.25 118.30 1oo0 h VAL 109 Ca 0.46 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1oo0 h VAL 109 Cb 0.50 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1oo0 h VAL 109 CO -0.22 0.12 -0.01 0.44 0.02 0.00 0.00 177.57 177.92 1oo0 h ASP 110 N -0.25 -0.02 -0.74 0.57 3.32 -1.68 -2.49 116.42 115.13 1oo0 h ASP 110 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1oo0 h ASP 110 Cb 0.23 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1oo0 h ASP 110 CO 0.01 0.07 0.46 0.58 -1.72 0.00 0.00 179.24 178.64 1oo0 h VAL 111 N -0.11 1.20 0.00 -1.35 2.07 -1.12 -1.76 116.25 115.18 1oo0 h VAL 111 Ca -0.00 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1oo0 h VAL 111 Cb 0.10 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1oo0 h VAL 111 CO 0.00 0.20 -0.09 0.78 0.02 0.00 0.00 177.57 178.49 1oo0 h ASN 112 N 1.00 0.00 0.00 0.57 4.21 -1.01 -2.12 115.58 118.24 1oo0 h ASN 112 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1oo0 h ASN 112 Cb -0.07 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1oo0 h ASN 112 CO -0.05 0.09 -0.14 0.54 -1.29 0.00 0.00 177.43 176.57 1oo0 n ARG 113 N -3.94 1.78 -1.35 0.81 1.74 -0.92 -4.83 116.66 109.95 1oo0 n ARG 113 Ca -0.02 -1.37 -0.30 0.00 -0.77 0.00 0.00 57.85 55.39 1oo0 n ARG 113 Cb 0.18 -1.47 0.21 0.00 -1.02 0.00 0.00 32.46 30.36 1oo0 n ARG 113 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1oo0 s SER 114 N -2.17 1.86 0.46 0.55 1.04 -0.71 -4.95 113.70 109.79 1oo0 s SER 114 Ca 0.27 0.61 0.26 0.00 0.48 0.00 0.00 55.95 57.58 1oo0 s SER 114 Cb 0.20 -0.87 0.96 0.00 0.10 0.00 0.00 66.02 66.41 1oo0 s SER 114 CO 0.40 -3.54 1.84 0.11 0.98 0.00 0.00 173.24 173.02 1oo0 h LYS 115 N -2.19 0.00 -1.97 4.02 1.57 -1.87 -3.37 116.57 112.77 1oo0 h LYS 115 Ca -0.46 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.80 1oo0 h LYS 115 Cb 1.29 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.25 1oo0 h LYS 115 CO 0.40 0.16 -0.95 -3.47 -0.57 0.00 0.00 179.45 175.02 1oo0 n ASP 116 N -3.29 -0.70 -0.13 0.86 2.03 -1.26 -4.97 116.55 109.08 1oo0 n ASP 116 Ca 0.01 -2.59 -0.01 0.00 0.52 0.00 0.00 54.79 52.72 1oo0 n ASP 116 Cb 0.42 -0.22 0.25 0.00 -0.72 0.00 0.00 41.12 40.84 1oo0 n ASP 116 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1oo0 h PRO 117 N 4.93 0.82 -0.27 -0.67 0.11 -1.74 -1.02 132.00 134.16 1oo0 h PRO 117 Ca 0.16 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1oo0 h PRO 117 Cb 0.93 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 1oo0 h PRO 117 CO 0.36 0.65 -0.02 0.93 -0.21 0.00 0.00 178.00 179.71 1oo0 h GLU 118 N 0.82 0.49 -0.65 1.05 5.08 -1.93 -1.08 114.58 118.35 1oo0 h GLU 118 Ca 0.20 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1oo0 h GLU 118 Cb 0.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1oo0 h GLU 118 CO -0.02 0.67 0.06 0.78 -1.00 0.00 0.00 179.01 179.49 1oo0 h GLY 119 N 0.26 1.20 1.48 -3.84 0.00 -1.93 -1.58 103.07 98.66 1oo0 h GLY 119 Ca 0.07 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.45 1oo0 h GLY 119 CO 0.02 0.77 -0.32 1.41 0.00 0.00 0.00 176.54 178.42 1oo0 h LEU 120 N 1.03 0.60 -0.35 3.11 3.38 -1.10 -1.28 115.31 120.69 1oo0 h LEU 120 Ca 0.19 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1oo0 h LEU 120 Cb 0.50 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1oo0 h LEU 120 CO 0.02 0.89 -0.09 0.03 0.09 0.00 0.00 178.44 179.38 1oo0 h ARG 121 N 0.50 0.69 -0.73 1.13 3.08 -1.10 -0.67 114.38 117.27 1oo0 h ARG 121 Ca 0.06 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 59.92 1oo0 h ARG 121 Cb 0.80 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 1oo0 h ARG 121 CO 0.07 0.85 0.40 0.00 -1.07 0.00 0.00 179.97 180.21 1oo0 h PHE 123 N 0.70 0.32 0.22 0.00 3.57 -1.08 -1.53 116.94 119.14 1oo0 h PHE 123 Ca 0.34 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1oo0 h PHE 123 Cb 0.29 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1oo0 h PHE 123 CO -0.08 0.42 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.28 1oo0 h TYR 124 N 0.13 -0.59 -0.32 0.41 3.20 -0.68 -0.81 116.97 118.31 1oo0 h TYR 124 Ca 0.06 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1oo0 h TYR 124 Cb 0.26 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 1oo0 h TYR 124 CO 0.01 -0.33 -0.19 1.88 -1.64 0.00 0.00 178.16 177.89 1oo0 h TYR 125 N -0.47 0.65 -0.10 -3.82 0.05 -1.14 -1.27 116.97 110.87 1oo0 h TYR 125 Ca -0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 1oo0 h TYR 125 Cb 0.45 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 1oo0 h TYR 125 CO -0.16 0.74 0.03 1.25 -1.05 0.00 0.00 178.16 178.97 1oo0 h LEU 126 N 0.52 0.14 -0.87 3.88 5.85 -1.11 -0.01 115.31 123.72 1oo0 h LEU 126 Ca 0.08 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1oo0 h LEU 126 Cb 0.63 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1oo0 h LEU 126 CO 0.04 0.31 0.55 0.58 -0.34 0.00 0.00 178.44 179.58 1oo0 h VAL 127 N -0.03 1.11 -0.70 1.05 2.07 -0.90 0.65 116.25 119.50 1oo0 h VAL 127 Ca 0.03 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1oo0 h VAL 127 Cb 0.22 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1oo0 h VAL 127 CO -0.00 0.19 0.17 1.56 0.02 0.00 0.00 177.57 179.51 1oo0 h GLN 128 N 1.05 1.12 -0.54 1.57 1.08 -0.99 0.38 115.11 118.78 1oo0 h GLN 128 Ca 0.36 -0.27 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 1oo0 h GLN 128 Cb 0.06 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1oo0 h GLN 128 CO -0.14 0.99 -0.04 -0.44 -0.95 0.00 0.00 178.83 178.25 1oo0 h ASP 129 N 1.06 0.93 -0.31 1.46 3.32 0.13 -1.38 116.42 121.63 1oo0 h ASP 129 Ca 0.22 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1oo0 h ASP 129 Cb 0.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1oo0 h ASP 129 CO 0.00 1.01 0.02 -0.07 -1.72 0.00 0.00 179.24 178.48 1oo0 h LEU 130 N 0.86 0.53 -0.46 1.55 3.38 -0.69 -2.39 115.31 118.09 1oo0 h LEU 130 Ca 0.15 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1oo0 h LEU 130 Cb 0.56 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1oo0 h LEU 130 CO 0.03 0.69 0.16 0.11 0.09 0.00 0.00 178.44 179.52 1oo0 h LYS 131 N 0.35 0.32 -0.50 1.13 1.57 -0.69 0.32 116.57 119.07 1oo0 h LYS 131 Ca 0.09 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1oo0 h LYS 131 Cb 0.41 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1oo0 h LYS 131 CO 0.01 0.21 0.22 0.00 -0.57 0.00 0.00 179.45 179.32 1oo0 h LEU 133 N 0.42 0.34 -0.36 0.00 5.85 -1.08 -1.83 115.31 118.65 1oo0 h LEU 133 Ca 0.23 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1oo0 h LEU 133 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1oo0 h LEU 133 CO -0.20 0.38 0.15 0.58 -0.34 0.00 0.00 178.44 179.01 1oo0 h VAL 134 N 0.28 1.19 -1.00 1.05 2.07 -0.45 -0.85 116.25 118.53 1oo0 h VAL 134 Ca 0.09 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1oo0 h VAL 134 Cb 0.13 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1oo0 h VAL 134 CO -0.01 0.21 0.66 -0.26 0.02 0.00 0.00 177.57 178.18 1oo0 h PHE 135 N 0.44 1.24 -0.37 1.57 0.04 -0.03 -0.52 116.94 119.32 1oo0 h PHE 135 Ca 0.12 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 1oo0 h PHE 135 Cb 0.18 -0.42 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 1oo0 h PHE 135 CO -0.00 0.75 0.07 0.77 -0.60 0.00 0.00 178.31 179.30 1oo0 h SER 136 N 1.31 0.58 0.14 2.17 0.02 -1.05 0.13 113.55 116.84 1oo0 h SER 136 Ca 0.38 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1oo0 h SER 136 Cb -0.08 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.31 1oo0 h SER 136 CO -0.10 0.68 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.13 1oo0 h LEU 137 N 0.45 -0.15 -0.02 5.07 3.38 -0.69 -1.36 115.31 121.98 1oo0 h LEU 137 Ca 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1oo0 h LEU 137 Cb 0.34 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1oo0 h LEU 137 CO 0.00 -0.00 -0.00 0.40 0.09 0.00 0.00 178.44 178.93 1oo0 h ILE 138 N -0.30 1.27 -0.21 1.22 1.08 -1.09 -1.57 117.51 117.91 1oo0 h ILE 138 Ca -0.02 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.70 1oo0 h ILE 138 Cb 0.24 1.78 -0.06 0.00 -3.07 0.00 0.00 36.82 35.71 1oo0 h ILE 138 CO 0.03 0.21 -0.16 1.23 -0.69 0.00 0.00 178.15 178.78 1oo0 h GLY 139 N -0.29 -0.01 1.43 5.37 0.00 -0.73 -0.48 103.07 108.36 1oo0 h GLY 139 Ca 0.01 0.20 -0.26 0.00 0.00 0.00 0.00 47.33 47.27 1oo0 h GLY 139 CO 0.00 -0.16 -1.10 1.41 0.00 0.00 0.00 176.54 176.69 1oo0 h LEU 140 N -0.16 0.67 -0.77 3.11 3.38 -1.29 0.11 115.31 120.37 1oo0 h LEU 140 Ca 0.12 -0.59 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1oo0 h LEU 140 Cb 0.34 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1oo0 h LEU 140 CO -0.31 1.40 -0.19 -0.74 0.09 0.00 0.00 178.44 178.70 1oo0 h HIS 141 N 0.24 0.83 -0.01 1.13 2.76 -1.17 -3.20 115.15 115.73 1oo0 h HIS 141 Ca -0.13 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1oo0 h HIS 141 Cb 1.76 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.52 1oo0 h HIS 141 CO 0.08 0.87 -0.45 1.19 -1.30 0.00 0.00 177.93 178.32 1oo0 n PHE 142 N -4.13 0.00 -3.70 5.26 3.72 -0.20 -4.98 117.46 113.43 1oo0 n PHE 142 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1oo0 n PHE 142 Cb 0.40 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.99 1oo0 n PHE 142 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1oo0 n LYS 143 N -0.25 -5.51 -4.16 -1.08 4.76 -0.01 -4.99 118.16 106.91 1oo0 n LYS 143 Ca 0.07 0.66 -0.12 0.00 -2.87 0.00 0.00 58.31 56.06 1oo0 n LYS 143 Cb 0.38 -5.39 -0.10 0.00 -1.84 0.00 0.00 35.03 28.07 1oo0 n LYS 143 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1oo0 s ILE 144 N -3.53 0.74 0.24 -0.18 -4.36 -0.99 -5.05 121.20 108.08 1oo0 s ILE 144 Ca 0.18 -1.81 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 1oo0 s ILE 144 Cb -0.09 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 42.00 1oo0 s ILE 144 CO 0.80 -0.77 1.19 -0.75 0.24 0.00 0.00 174.94 175.65 1oo0 s LYS 145 N -3.44 4.51 0.23 0.37 2.20 -1.26 -4.20 119.74 118.15 1oo0 s LYS 145 Ca 0.09 1.92 0.23 0.00 -0.36 0.00 0.00 55.97 57.85 1oo0 s LYS 145 Cb 0.02 -3.19 0.12 0.00 -1.51 0.00 0.00 37.83 33.27 1oo0 s LYS 145 CO -0.03 -0.02 1.19 -1.00 -0.36 0.00 0.00 175.35 175.13 1oo0 h PRO 146 N 4.50 0.00 0.00 4.03 0.13 -1.93 -3.48 132.00 135.25 1oo0 h PRO 146 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1oo0 h PRO 146 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1oo0 h PRO 146 CO 0.71 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.99