#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fv1 s ASP 2 N 0.00 6.28 -0.13 1.61 3.68 -1.26 -4.87 116.67 121.98 1fv1 s ASP 2 Ca 0.00 -0.59 0.16 0.00 2.13 0.00 0.00 52.55 54.24 1fv1 s ASP 2 Cb 0.00 -2.41 0.59 0.00 -1.45 0.00 0.00 42.92 39.65 1fv1 s ASP 2 CO 0.00 -1.22 1.50 0.35 0.13 0.00 0.00 175.17 175.93 1fv1 n THR 3 N 6.04 1.93 -2.04 1.71 -2.24 -1.26 -5.01 114.28 113.42 1fv1 n THR 3 Ca -0.01 -1.41 -0.37 0.00 -2.27 0.00 0.00 64.05 59.98 1fv1 n THR 3 Cb 0.47 0.03 0.02 0.00 -2.10 0.00 0.00 70.33 68.74 1fv1 n THR 3 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1fv1 s ARG 4 N -2.12 3.34 0.35 -0.78 0.52 -1.26 -4.95 118.95 114.06 1fv1 s ARG 4 Ca 0.43 1.94 -0.28 0.00 -0.52 0.00 0.00 55.73 57.29 1fv1 s ARG 4 Cb 0.30 -2.23 -0.11 0.00 0.52 0.00 0.00 34.95 33.44 1fv1 s ARG 4 CO 0.16 -0.94 1.41 -2.14 0.02 0.00 0.00 175.30 173.82 1fv1 s PRO 5 N -2.94 4.22 0.12 3.54 0.02 -1.26 -5.02 135.00 133.68 1fv1 s PRO 5 Ca 0.70 2.41 0.03 0.00 0.02 0.00 0.00 61.00 64.16 1fv1 s PRO 5 Cb -0.33 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 1fv1 s PRO 5 CO 0.38 -0.38 0.13 1.03 -0.33 0.00 0.00 177.00 177.83 1fv1 s ARG 6 N -1.82 2.99 -0.11 5.54 1.81 -1.26 -5.10 118.95 121.01 1fv1 s ARG 6 Ca 0.52 -0.73 -0.01 0.00 -1.72 0.00 0.00 55.73 53.79 1fv1 s ARG 6 Cb -0.43 -2.75 0.03 0.00 -0.45 0.00 0.00 34.95 31.35 1fv1 s ARG 6 CO 0.57 0.53 -0.02 -0.06 -0.68 0.00 0.00 175.30 175.65 1fv1 s PHE 7 N -1.58 1.04 -0.08 -0.53 0.08 -1.26 -5.07 117.98 110.58 1fv1 s PHE 7 Ca 0.31 -0.52 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1fv1 s PHE 7 Cb -0.11 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1fv1 s PHE 7 CO 0.24 -0.45 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.55 1fv1 s LEU 8 N 1.85 2.41 -0.16 -0.37 2.96 -1.26 -5.00 118.68 119.11 1fv1 s LEU 8 Ca 0.04 -0.40 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 1fv1 s LEU 8 Cb -0.13 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 1fv1 s LEU 8 CO -0.07 0.23 -0.14 -1.58 -1.32 0.00 0.00 176.35 173.47 1fv1 s GLN 9 N -0.04 3.24 0.04 1.98 2.00 -1.26 0.52 119.66 126.14 1fv1 s GLN 9 Ca -0.05 -0.73 0.06 0.00 -2.00 0.00 0.00 55.36 52.63 1fv1 s GLN 9 Cb -0.14 -2.67 -0.02 0.00 0.80 0.00 0.00 33.01 30.98 1fv1 s GLN 9 CO 0.04 -0.00 -0.17 -0.65 -0.50 0.00 0.00 175.29 174.01 1fv1 s GLN 10 N 0.88 1.10 -0.03 1.67 -0.21 0.12 -5.01 119.66 118.18 1fv1 s GLN 10 Ca -0.04 -0.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.49 1fv1 s GLN 10 Cb -0.15 -1.16 0.03 0.00 1.00 0.00 0.00 33.01 32.73 1fv1 s GLN 10 CO -0.01 0.29 0.04 -0.51 -2.12 0.00 0.00 175.29 172.98 1fv1 s ASP 11 N -1.19 0.67 -0.12 5.90 1.01 -1.26 -0.12 116.67 121.57 1fv1 s ASP 11 Ca 0.04 0.05 0.02 0.00 0.71 0.00 0.00 52.55 53.36 1fv1 s ASP 11 Cb -0.08 -0.14 0.01 0.00 1.01 0.00 0.00 42.92 43.73 1fv1 s ASP 11 CO 0.02 -0.19 -0.16 -0.54 0.21 0.00 0.00 175.17 174.51 1fv1 s LYS 12 N 1.62 2.35 -0.40 8.23 1.02 -0.12 -4.99 119.74 127.45 1fv1 s LYS 12 Ca -0.02 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 1fv1 s LYS 12 Cb -0.13 -2.00 0.06 0.00 -0.52 0.00 0.00 37.83 35.24 1fv1 s LYS 12 CO -0.03 -0.08 0.23 0.71 -0.92 0.00 0.00 175.35 175.27 1fv1 s TYR 13 N 1.02 3.29 -0.11 3.18 1.51 -1.26 -0.75 117.35 124.23 1fv1 s TYR 13 Ca -0.05 -1.28 -0.05 0.00 -1.01 0.00 0.00 57.07 54.67 1fv1 s TYR 13 Cb -0.15 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 1fv1 s TYR 13 CO -0.03 -0.76 0.07 -1.21 -1.11 0.00 0.00 175.55 172.51 1fv1 s GLU 14 N 1.48 3.32 -0.19 -0.62 2.02 0.19 -4.95 118.70 119.95 1fv1 s GLU 14 Ca 0.02 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1fv1 s GLU 14 Cb -0.21 -3.03 0.04 0.00 0.10 0.00 0.00 34.13 31.03 1fv1 s GLU 14 CO 0.04 0.68 -0.09 0.00 0.02 0.00 0.00 175.26 175.91 1fv1 s HIS 16 N 1.46 3.05 -0.13 0.00 3.76 -0.46 -4.97 115.29 118.01 1fv1 s HIS 16 Ca -0.00 -0.48 -0.03 0.00 -0.15 0.00 0.00 55.06 54.39 1fv1 s HIS 16 Cb -0.16 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.36 1fv1 s HIS 16 CO -0.08 -0.30 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.42 1fv1 s PHE 17 N 1.25 3.06 -0.12 1.40 0.40 -1.26 -1.21 117.98 121.50 1fv1 s PHE 17 Ca 0.04 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 1fv1 s PHE 17 Cb -0.15 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.49 1fv1 s PHE 17 CO 0.02 0.13 -0.18 -0.06 0.70 0.00 0.00 175.22 175.82 1fv1 s PHE 18 N -0.04 2.25 -0.52 0.36 0.40 0.01 -4.84 117.98 115.60 1fv1 s PHE 18 Ca 0.02 -1.06 -0.22 0.00 -0.60 0.00 0.00 56.93 55.07 1fv1 s PHE 18 Cb -0.13 -1.57 0.03 0.00 0.51 0.00 0.00 43.02 41.86 1fv1 s PHE 18 CO 0.02 -0.50 0.64 0.27 0.70 0.00 0.00 175.22 176.35 1fv1 n ASN 19 N 4.05 -6.61 0.00 1.36 6.94 -1.26 -2.60 115.26 117.13 1fv1 n ASN 19 Ca -0.20 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.38 1fv1 n ASN 19 Cb 0.52 -3.48 0.00 0.00 -2.36 0.00 0.00 39.78 34.46 1fv1 n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fv1 n GLY 20 N -0.58 2.48 0.57 4.83 0.00 -1.26 -1.74 105.19 109.49 1fv1 n GLY 20 Ca -0.03 -0.31 0.07 0.00 0.00 0.00 0.00 46.02 45.75 1fv1 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fv1 n THR 21 N 0.00 2.16 -0.12 2.61 -2.24 -1.26 -4.71 114.28 110.72 1fv1 n THR 21 Ca 0.00 -2.38 -0.05 0.00 -2.27 0.00 0.00 64.05 59.36 1fv1 n THR 21 Cb 0.00 -0.26 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1fv1 n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1fv1 h GLU 22 N 0.83 0.20 -4.54 -0.78 4.81 -1.29 -3.39 114.58 110.43 1fv1 h GLU 22 Ca 0.04 -0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.71 1fv1 h GLU 22 Cb 1.24 -0.05 -0.35 0.00 0.63 0.00 0.00 28.75 30.23 1fv1 h GLU 22 CO 0.13 0.13 -0.82 0.50 -0.73 0.00 0.00 179.01 178.22 1fv1 s ARG 23 N -6.16 1.84 -0.03 1.92 3.52 -1.07 -5.03 118.95 113.94 1fv1 s ARG 23 Ca -0.13 -0.43 0.04 0.00 -0.13 0.00 0.00 55.73 55.08 1fv1 s ARG 23 Cb 0.14 -1.61 -0.00 0.00 -1.56 0.00 0.00 34.95 31.91 1fv1 s ARG 23 CO 0.72 -0.07 -0.14 0.08 -0.81 0.00 0.00 175.30 175.07 1fv1 s VAL 24 N 1.01 1.18 -0.16 7.11 1.01 -1.26 -0.81 120.40 128.48 1fv1 s VAL 24 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1fv1 s VAL 24 Cb -0.15 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1fv1 s VAL 24 CO -0.01 0.34 -0.15 -0.60 0.00 0.00 0.00 175.10 174.69 1fv1 s ARG 25 N -0.04 2.41 -0.06 2.72 3.52 -0.35 -4.97 118.95 122.17 1fv1 s ARG 25 Ca -0.01 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 54.85 1fv1 s ARG 25 Cb -0.09 -2.21 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1fv1 s ARG 25 CO 0.01 -0.24 0.30 0.12 -0.81 0.00 0.00 175.30 174.67 1fv1 s PHE 26 N 1.45 3.65 -0.06 5.12 5.36 -1.26 -1.35 117.98 130.89 1fv1 s PHE 26 Ca 0.05 0.78 -0.02 0.00 -0.96 0.00 0.00 56.93 56.77 1fv1 s PHE 26 Cb -0.13 -2.17 0.04 0.00 -0.34 0.00 0.00 43.02 40.42 1fv1 s PHE 26 CO -0.11 0.63 0.13 -1.17 -1.46 0.00 0.00 175.22 173.24 1fv1 s LEU 27 N -0.87 0.79 -0.24 6.12 2.96 0.58 -0.38 118.68 127.63 1fv1 s LEU 27 Ca 0.20 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1fv1 s LEU 27 Cb -0.15 0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.84 1fv1 s LEU 27 CO 0.09 -0.14 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.68 1fv1 s HIS 28 N 1.14 3.02 -0.15 5.38 5.65 -0.12 0.52 115.29 130.74 1fv1 s HIS 28 Ca -0.09 -1.02 -0.00 0.00 0.25 0.00 0.00 55.06 54.20 1fv1 s HIS 28 Cb -0.12 -2.14 -0.01 0.00 -1.18 0.00 0.00 32.58 29.14 1fv1 s HIS 28 CO -0.05 -0.57 -0.13 1.03 -0.65 0.00 0.00 174.74 174.36 1fv1 s ARG 29 N 1.46 3.31 -0.17 2.88 0.52 0.07 -0.97 118.95 126.06 1fv1 s ARG 29 Ca 0.04 -0.71 -0.04 0.00 -0.52 0.00 0.00 55.73 54.50 1fv1 s ARG 29 Cb -0.15 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1fv1 s ARG 29 CO -0.02 0.10 -0.02 0.34 0.02 0.00 0.00 175.30 175.71 1fv1 s ASP 30 N 0.64 4.81 -0.10 0.23 -1.08 -0.14 -0.94 116.67 120.09 1fv1 s ASP 30 Ca -0.07 -0.15 0.02 0.00 -0.52 0.00 0.00 52.55 51.83 1fv1 s ASP 30 Cb -0.16 -1.80 0.01 0.00 -1.46 0.00 0.00 42.92 39.52 1fv1 s ASP 30 CO 0.03 0.13 -0.16 -0.63 0.52 0.00 0.00 175.17 175.05 1fv1 s ILE 31 N 0.59 1.55 -0.28 4.11 1.01 0.84 -0.79 121.20 128.22 1fv1 s ILE 31 Ca -0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1fv1 s ILE 31 Cb -0.14 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1fv1 s ILE 31 CO 0.02 0.45 0.15 -0.47 0.00 0.00 0.00 174.94 175.09 1fv1 s TYR 32 N 0.83 3.17 0.00 3.97 5.04 0.06 -0.71 117.35 129.71 1fv1 s TYR 32 Ca -0.10 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 1fv1 s TYR 32 Cb -0.16 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.82 1fv1 s TYR 32 CO 0.01 -0.31 0.00 0.09 -1.34 0.00 0.00 175.55 174.00 1fv1 n ASN 33 N 5.00 0.00 0.00 4.32 3.02 0.19 -1.13 115.26 126.65 1fv1 n ASN 33 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1fv1 n ASN 33 Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1fv1 n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1fv1 n GLN 34 N 0.00 2.20 -4.17 3.52 7.27 -1.26 -4.90 117.38 120.04 1fv1 n GLN 34 Ca 0.00 -1.27 -0.34 0.00 0.07 0.00 0.00 57.00 55.46 1fv1 n GLN 34 Cb 0.00 -0.94 -0.13 0.00 2.41 0.00 0.00 30.24 31.57 1fv1 n GLN 34 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1fv1 s GLU 35 N -0.77 3.49 -0.04 3.69 2.02 -0.29 -5.07 118.70 121.73 1fv1 s GLU 35 Ca 0.00 -0.59 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 1fv1 s GLU 35 Cb 0.00 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 1fv1 s GLU 35 CO 0.00 -0.01 1.38 -2.00 0.02 0.00 0.00 175.26 174.65 1fv1 s GLU 36 N 1.00 4.27 -0.04 1.61 2.12 -1.26 -0.76 118.70 125.64 1fv1 s GLU 36 Ca 0.00 1.90 0.11 0.00 0.36 0.00 0.00 54.97 57.34 1fv1 s GLU 36 Cb -0.15 -3.65 -0.17 0.00 0.26 0.00 0.00 34.13 30.42 1fv1 s GLU 36 CO 0.01 -0.61 0.20 -0.40 -0.54 0.00 0.00 175.26 173.92 1fv1 n ASP 37 N 5.77 2.32 -3.89 -1.70 5.75 0.03 -4.29 116.55 120.53 1fv1 n ASP 37 Ca 0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 54.80 1fv1 n ASP 37 Cb 0.44 1.34 -0.12 0.00 -1.03 0.00 0.00 41.12 41.75 1fv1 n ASP 37 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1fv1 s LEU 38 N -4.06 1.90 -0.07 -2.12 2.96 -1.19 -0.76 118.68 115.33 1fv1 s LEU 38 Ca -0.05 -0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1fv1 s LEU 38 Cb 0.06 0.21 0.02 0.00 0.50 0.00 0.00 46.19 46.98 1fv1 s LEU 38 CO 0.48 -0.13 0.26 -0.60 -1.32 0.00 0.00 176.35 175.03 1fv1 s ARG 39 N -0.54 0.39 -0.21 1.98 3.52 -0.84 -0.97 118.95 122.28 1fv1 s ARG 39 Ca -0.06 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1fv1 s ARG 39 Cb -0.04 0.18 0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1fv1 s ARG 39 CO -0.00 -0.07 -0.13 0.12 -0.81 0.00 0.00 175.30 174.41 1fv1 s PHE 40 N -0.29 2.70 -0.22 5.12 2.19 -0.15 -1.62 117.98 125.71 1fv1 s PHE 40 Ca -0.04 -1.77 -0.06 0.00 0.33 0.00 0.00 56.93 55.39 1fv1 s PHE 40 Cb -0.03 -1.77 -0.03 0.00 -1.31 0.00 0.00 43.02 39.88 1fv1 s PHE 40 CO 0.01 -0.79 0.04 0.34 1.83 0.00 0.00 175.22 176.65 1fv1 s ASP 41 N 1.30 5.04 0.62 6.13 -1.08 -1.26 -0.94 116.67 126.48 1fv1 s ASP 41 Ca -0.01 -0.18 0.31 0.00 -0.52 0.00 0.00 52.55 52.14 1fv1 s ASP 41 Cb -0.16 -1.89 1.71 0.00 -1.46 0.00 0.00 42.92 41.13 1fv1 s ASP 41 CO -0.09 0.02 2.05 0.77 0.52 0.00 0.00 175.17 178.45 1fv1 h SER 42 N 7.82 0.00 1.58 -0.34 4.64 -1.08 0.20 113.55 126.37 1fv1 h SER 42 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 1fv1 h SER 42 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1fv1 h SER 42 CO 0.60 0.00 -0.04 0.44 -0.87 0.00 0.00 176.83 176.96 1fv1 h ASP 43 N 0.00 0.00 0.15 4.97 3.32 -1.94 -3.29 116.42 119.63 1fv1 h ASP 43 Ca 0.08 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.77 1fv1 h ASP 43 Cb 0.59 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1fv1 h ASP 43 CO -0.00 0.04 -2.09 0.52 -1.72 0.00 0.00 179.24 175.99 1fv1 n VAL 44 N -3.12 1.66 -0.00 -1.35 0.31 0.64 -5.01 118.33 111.46 1fv1 n VAL 44 Ca 0.03 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1fv1 n VAL 44 Cb 0.46 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 1fv1 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fv1 n GLY 45 N 1.96 0.67 3.43 2.92 0.00 -0.88 -5.03 105.19 108.25 1fv1 n GLY 45 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1fv1 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1fv1 s GLU 46 N -0.78 1.25 0.41 1.61 -1.05 -1.26 -4.92 118.70 113.96 1fv1 s GLU 46 Ca 0.00 -0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 53.71 1fv1 s GLU 46 Cb 0.00 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 1fv1 s GLU 46 CO 0.00 -0.51 1.11 0.71 0.95 0.00 0.00 175.26 177.52 1fv1 s TYR 47 N -3.87 3.13 -0.11 4.83 1.51 -1.26 -4.32 117.35 117.26 1fv1 s TYR 47 Ca 0.09 1.60 -0.08 0.00 -1.01 0.00 0.00 57.07 57.66 1fv1 s TYR 47 Cb 0.01 -3.25 0.04 0.00 -0.11 0.00 0.00 41.96 38.64 1fv1 s TYR 47 CO -0.05 -1.00 0.28 1.03 -1.11 0.00 0.00 175.55 174.70 1fv1 s ARG 48 N -2.49 0.29 0.04 -0.62 0.52 -0.64 -4.86 118.95 111.19 1fv1 s ARG 48 Ca 0.59 0.48 -0.30 0.00 -0.52 0.00 0.00 55.73 55.97 1fv1 s ARG 48 Cb -0.26 0.05 -0.05 0.00 0.52 0.00 0.00 34.95 35.21 1fv1 s ARG 48 CO 0.32 -0.09 1.16 0.00 0.02 0.00 0.00 175.30 176.71 1fv1 s ALA 49 N 0.64 3.36 -0.03 2.13 0.00 -1.26 -1.99 121.76 124.60 1fv1 s ALA 49 Ca -0.04 0.77 0.12 0.00 0.00 0.00 0.00 51.96 52.81 1fv1 s ALA 49 Cb -0.05 -3.43 -0.23 0.00 0.00 0.00 0.00 23.12 19.41 1fv1 s ALA 49 CO -0.04 -0.42 0.71 0.28 0.00 0.00 0.00 175.76 176.29 1fv1 h VAL 50 N 4.60 0.92 -3.70 0.00 2.07 -1.22 -3.48 116.25 115.45 1fv1 h VAL 50 Ca -0.41 -2.76 -0.32 0.00 0.82 0.00 0.00 66.70 64.03 1fv1 h VAL 50 Cb 1.21 2.45 -0.15 0.00 -1.52 0.00 0.00 31.29 33.29 1fv1 h VAL 50 CO 0.81 0.52 -0.65 0.42 0.02 0.00 0.00 177.57 178.69 1fv1 s THR 51 N -2.61 0.70 0.41 2.57 -4.23 -1.08 -4.98 115.64 106.42 1fv1 s THR 51 Ca -0.04 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 58.61 1fv1 s THR 51 Cb 0.08 -2.29 0.34 0.00 1.34 0.00 0.00 72.50 71.97 1fv1 s THR 51 CO 0.82 -0.32 1.92 -0.33 -0.54 0.00 0.00 174.62 176.17 1fv1 h GLU 52 N 2.58 0.48 -0.09 3.99 4.39 -1.91 -1.92 114.58 122.09 1fv1 h GLU 52 Ca -0.37 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.32 1fv1 h GLU 52 Cb 1.22 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1fv1 h GLU 52 CO 0.62 0.32 0.08 1.25 -1.16 0.00 0.00 179.01 180.12 1fv1 h LEU 53 N 0.49 0.00 -0.17 1.33 5.85 -1.97 -1.61 115.31 119.24 1fv1 h LEU 53 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1fv1 h LEU 53 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1fv1 h LEU 53 CO -0.13 0.00 -0.60 0.61 -0.34 0.00 0.00 178.44 177.98 1fv1 n GLY 54 N -1.44 -0.96 0.28 3.75 0.00 -0.72 -4.47 105.19 101.62 1fv1 n GLY 54 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1fv1 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1fv1 h ARG 55 N 0.41 -0.22 -0.95 1.61 2.43 -1.31 -0.50 114.38 115.86 1fv1 h ARG 55 Ca 0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1fv1 h ARG 55 Cb 0.52 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 1fv1 h ARG 55 CO 0.00 -0.14 0.60 -1.35 -1.51 0.00 0.00 179.97 177.56 1fv1 h PRO 56 N -0.22 1.02 -0.28 0.20 0.11 -1.78 -2.45 132.00 128.59 1fv1 h PRO 56 Ca 0.16 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.12 1fv1 h PRO 56 Cb 0.47 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1fv1 h PRO 56 CO -0.43 0.68 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.43 1fv1 h ASP 57 N 1.05 0.64 -0.74 -2.05 3.32 -1.64 -2.52 116.42 114.47 1fv1 h ASP 57 Ca 0.42 -0.43 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1fv1 h ASP 57 Cb 0.24 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 1fv1 h ASP 57 CO -0.20 0.92 0.44 0.00 -1.72 0.00 0.00 179.24 178.69 1fv1 h ALA 58 N 0.73 1.01 -0.60 3.45 0.00 -0.80 -0.76 119.26 122.29 1fv1 h ALA 58 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1fv1 h ALA 58 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1fv1 h ALA 58 CO 0.05 0.14 0.09 0.93 0.00 0.00 0.00 179.25 180.46 1fv1 h GLU 59 N 0.80 1.01 0.20 0.00 5.08 -1.41 -2.55 114.58 117.71 1fv1 h GLU 59 Ca 0.33 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1fv1 h GLU 59 Cb 0.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1fv1 h GLU 59 CO -0.17 0.95 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.77 1fv1 h TYR 60 N 0.91 -0.25 -0.87 4.33 3.20 -0.93 -3.01 116.97 120.35 1fv1 h TYR 60 Ca 0.18 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1fv1 h TYR 60 Cb 0.44 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1fv1 h TYR 60 CO 0.03 0.11 0.57 -1.49 -1.64 0.00 0.00 178.16 175.75 1fv1 h TRP 61 N -0.67 1.08 -0.25 -3.82 -0.00 -1.21 -1.95 115.95 109.12 1fv1 h TRP 61 Ca -0.03 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 1fv1 h TRP 61 Cb 0.48 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 1fv1 h TRP 61 CO 0.04 0.66 -0.10 -0.91 -0.00 0.00 0.00 178.44 178.13 1fv1 h ASN 62 N 1.15 0.39 0.00 -3.49 2.35 -1.52 -1.49 115.58 112.97 1fv1 h ASN 62 Ca 0.33 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1fv1 h ASN 62 Cb -0.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1fv1 h ASN 62 CO -0.08 0.54 0.00 -1.54 -1.65 0.00 0.00 177.43 174.70 1fv1 n SER 63 N -4.24 0.00 -4.18 5.81 3.41 -0.74 -4.24 113.62 109.44 1fv1 n SER 63 Ca 0.00 -1.14 -0.39 0.00 -0.26 0.00 0.00 58.87 57.09 1fv1 n SER 63 Cb 0.29 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1fv1 n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fv1 s GLN 64 N -2.00 3.53 0.18 4.33 -1.52 -0.56 -4.95 119.66 118.67 1fv1 s GLN 64 Ca 0.20 -3.22 -0.26 0.00 -1.95 0.00 0.00 55.36 50.14 1fv1 s GLN 64 Cb 0.09 -4.13 0.05 0.00 -0.22 0.00 0.00 33.01 28.80 1fv1 s GLN 64 CO 0.16 -1.26 1.55 1.57 -0.25 0.00 0.00 175.29 177.06 1fv1 h LYS 65 N 6.27 -0.08 0.11 2.91 2.10 -1.82 0.39 116.57 126.45 1fv1 h LYS 65 Ca 0.16 0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.83 1fv1 h LYS 65 Cb 0.84 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 32.14 1fv1 h LYS 65 CO 0.89 -0.05 -0.44 -0.44 -2.00 0.00 0.00 179.45 177.41 1fv1 h ASP 66 N -0.08 -1.31 -0.29 7.07 5.19 -1.96 0.40 116.42 125.43 1fv1 h ASP 66 Ca 0.22 0.15 0.06 0.00 -0.62 0.00 0.00 57.03 56.84 1fv1 h ASP 66 Cb 0.52 0.49 -0.06 0.00 0.18 0.00 0.00 39.33 40.46 1fv1 h ASP 66 CO -0.87 -0.50 -0.11 0.15 -3.12 0.00 0.00 179.24 174.79 1fv1 h PHE 67 N -0.67 -0.24 -0.64 4.55 3.57 -1.67 -1.19 116.94 120.64 1fv1 h PHE 67 Ca 0.02 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.63 1fv1 h PHE 67 Cb 0.70 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1fv1 h PHE 67 CO -0.39 -0.17 0.43 1.25 -2.23 0.00 0.00 178.31 177.20 1fv1 h LEU 68 N -0.05 0.50 -0.41 0.59 5.85 0.15 -1.14 115.31 120.80 1fv1 h LEU 68 Ca 0.15 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 1fv1 h LEU 68 Cb 0.27 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1fv1 h LEU 68 CO -0.33 0.31 -0.50 -0.33 -0.34 0.00 0.00 178.44 177.25 1fv1 h GLU 69 N 0.56 0.77 -0.26 1.25 4.39 0.23 -2.45 114.58 119.08 1fv1 h GLU 69 Ca 0.29 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1fv1 h GLU 69 Cb 0.39 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1fv1 h GLU 69 CO -0.09 1.09 0.17 -0.44 -1.16 0.00 0.00 179.01 178.58 1fv1 h ASP 70 N 0.60 0.30 0.32 1.42 3.45 -0.33 -2.11 116.42 120.07 1fv1 h ASP 70 Ca 0.02 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.43 1fv1 h ASP 70 Cb 1.08 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 39.77 1fv1 h ASP 70 CO 0.11 0.23 -0.13 0.03 -1.57 0.00 0.00 179.24 177.92 1fv1 h ARG 71 N 0.34 0.00 0.00 3.56 2.47 -1.31 -1.30 114.38 118.14 1fv1 h ARG 71 Ca 0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 1fv1 h ARG 71 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1fv1 h ARG 71 CO -0.02 0.13 0.00 0.00 0.56 0.00 0.00 179.97 180.64 1fv1 h ARG 72 N 0.00 0.00 -0.02 0.04 3.08 -0.89 -3.06 114.38 113.54 1fv1 h ARG 72 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fv1 h ARG 72 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1fv1 h ARG 72 CO 0.02 0.00 -0.27 0.00 -1.07 0.00 0.00 179.97 178.64 1fv1 n ALA 73 N -2.07 3.11 -0.25 0.04 0.00 -0.51 -4.44 120.51 116.39 1fv1 n ALA 73 Ca 0.03 -0.57 0.03 0.00 0.00 0.00 0.00 53.44 52.93 1fv1 n ALA 73 Cb 0.44 -0.93 0.16 0.00 0.00 0.00 0.00 19.45 19.12 1fv1 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fv1 h ALA 74 N 4.05 1.00 -1.18 0.00 0.00 -1.39 0.24 119.26 121.98 1fv1 h ALA 74 Ca 0.00 0.08 0.34 0.00 0.00 0.00 0.00 54.91 55.33 1fv1 h ALA 74 Cb 0.71 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1fv1 h ALA 74 CO 0.00 -0.13 0.85 -0.39 0.00 0.00 0.00 179.25 179.58 1fv1 h VAL 75 N 0.52 0.41 0.00 0.00 -1.51 -1.81 0.32 116.25 114.18 1fv1 h VAL 75 Ca 0.37 -0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.67 1fv1 h VAL 75 Cb 0.48 0.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 1fv1 h VAL 75 CO -0.33 0.00 -1.51 0.47 -1.23 0.00 0.00 177.57 174.98 1fv1 n ASP 76 N -4.19 1.94 0.24 4.19 8.00 -0.24 -1.82 116.55 124.67 1fv1 n ASP 76 Ca 0.25 0.36 0.11 0.00 0.71 0.00 0.00 54.79 56.22 1fv1 n ASP 76 Cb 1.24 -0.78 0.61 0.00 -0.02 0.00 0.00 41.12 42.16 1fv1 n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1fv1 h THR 77 N -1.00 0.65 0.00 -3.53 1.35 -0.90 -3.01 112.91 106.47 1fv1 h THR 77 Ca -0.25 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1fv1 h THR 77 Cb 1.19 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1fv1 h THR 77 CO -0.15 0.18 -0.25 0.00 -0.25 0.00 0.00 175.52 175.04 1fv1 n TYR 78 N -3.62 0.00 0.45 4.73 9.36 0.95 -4.56 117.16 124.46 1fv1 n TYR 78 Ca -0.01 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.01 1fv1 n TYR 78 Cb 0.31 -0.13 -0.10 0.00 -0.63 0.00 0.00 39.34 38.80 1fv1 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1fv1 h ARG 80 N -1.15 0.80 0.45 0.00 3.08 -1.40 -1.02 114.38 115.14 1fv1 h ARG 80 Ca -0.11 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.72 1fv1 h ARG 80 Cb 0.90 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1fv1 h ARG 80 CO 0.16 0.80 -0.35 1.25 -1.07 0.00 0.00 179.97 180.76 1fv1 h HIS 81 N 0.75 -0.94 -0.92 3.04 2.76 -1.50 0.73 115.15 119.07 1fv1 h HIS 81 Ca 0.15 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1fv1 h HIS 81 Cb 0.44 0.35 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 1fv1 h HIS 81 CO 0.02 -0.51 0.52 -0.91 -1.30 0.00 0.00 177.93 175.74 1fv1 h ASN 82 N -0.80 1.13 -0.97 3.26 2.35 -1.26 -0.86 115.58 118.44 1fv1 h ASN 82 Ca -0.04 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1fv1 h ASN 82 Cb 0.68 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.72 1fv1 h ASN 82 CO -0.00 0.90 0.64 0.22 -1.65 0.00 0.00 177.43 177.54 1fv1 h TYR 83 N 1.28 1.22 -0.59 1.19 5.03 -0.92 0.13 116.97 124.31 1fv1 h TYR 83 Ca 0.32 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.61 1fv1 h TYR 83 Cb 0.00 -0.41 -0.02 0.00 1.55 0.00 0.00 36.73 37.85 1fv1 h TYR 83 CO 0.01 0.77 0.17 0.78 -1.32 0.00 0.00 178.16 178.57 1fv1 h GLY 84 N 1.32 0.99 1.02 1.82 0.00 -0.01 0.89 103.07 109.10 1fv1 h GLY 84 Ca 0.36 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1fv1 h GLY 84 CO -0.08 0.56 -0.03 -2.08 0.00 0.00 0.00 176.54 174.91 1fv1 h VAL 85 N 0.84 1.27 0.00 4.60 2.07 -0.40 -3.31 116.25 121.31 1fv1 h VAL 85 Ca 0.19 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1fv1 h VAL 85 Cb 0.31 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1fv1 h VAL 85 CO -0.00 0.39 -0.98 0.61 0.02 0.00 0.00 177.57 177.61 1fv1 n GLY 86 N -0.34 -1.19 0.32 2.17 0.00 0.38 -4.57 105.19 101.95 1fv1 n GLY 86 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.64 1fv1 n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fv1 h GLU 87 N 0.00 -0.01 -0.90 1.61 4.81 -0.91 -2.32 114.58 116.86 1fv1 h GLU 87 Ca 0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1fv1 h GLU 87 Cb 0.69 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.97 1fv1 h GLU 87 CO 0.00 -0.01 0.47 0.66 -0.73 0.00 0.00 179.01 179.40 1fv1 h SER 88 N -0.01 0.53 -0.28 1.04 4.64 -1.82 -1.48 113.55 116.17 1fv1 h SER 88 Ca 0.40 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1fv1 h SER 88 Cb 0.62 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1fv1 h SER 88 CO -0.87 0.17 0.00 2.22 -0.87 0.00 0.00 176.83 177.48 1fv1 n PHE 89 N -4.90 0.75 0.00 4.77 -1.74 -0.91 -4.23 117.46 111.19 1fv1 n PHE 89 Ca 0.20 -0.75 0.00 0.00 -0.56 0.00 0.00 57.45 56.34 1fv1 n PHE 89 Cb 0.53 -0.21 0.00 0.00 1.52 0.00 0.00 39.48 41.32 1fv1 n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1fv1 n THR 90 N -0.19 0.00 -0.15 1.97 -2.24 -0.97 -4.52 114.28 108.18 1fv1 n THR 90 Ca 0.18 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 1fv1 n THR 90 Cb 0.72 -0.40 0.41 0.00 -2.10 0.00 0.00 70.33 68.97 1fv1 n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1fv1 h VAL 91 N 0.00 0.95 -0.09 2.28 2.07 -1.62 -1.89 116.25 117.95 1fv1 h VAL 91 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1fv1 h VAL 91 Cb 0.00 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1fv1 h VAL 91 CO 0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1fv1 n GLN 92 N -4.49 2.09 -1.98 1.57 6.02 -0.61 -4.96 117.38 115.03 1fv1 n GLN 92 Ca 0.11 -1.60 -0.41 0.00 -0.01 0.00 0.00 57.00 55.09 1fv1 n GLN 92 Cb 0.32 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 1fv1 n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1fv1 s ARG 93 N -1.91 4.25 -0.22 -1.09 3.52 -0.71 -4.95 118.95 117.84 1fv1 s ARG 93 Ca 0.33 2.33 -0.06 0.00 -0.13 0.00 0.00 55.73 58.20 1fv1 s ARG 93 Cb 0.20 -3.11 0.11 0.00 -1.56 0.00 0.00 34.95 30.60 1fv1 s ARG 93 CO 0.31 -0.45 0.43 1.03 -0.81 0.00 0.00 175.30 175.80 1fv1 s ARG 94 N -0.27 0.35 -0.16 5.12 0.52 -1.26 -4.26 118.95 118.99 1fv1 s ARG 94 Ca 0.60 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.76 1fv1 s ARG 94 Cb -0.42 0.18 0.03 0.00 0.52 0.00 0.00 34.95 35.26 1fv1 s ARG 94 CO 0.43 -0.35 -0.11 0.08 0.02 0.00 0.00 175.30 175.36 1fv1 s VAL 95 N 2.62 1.44 0.31 3.52 1.01 -0.02 -4.98 120.40 124.31 1fv1 s VAL 95 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1fv1 s VAL 95 Cb -0.13 -1.44 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 1fv1 s VAL 95 CO -0.14 0.33 1.48 -0.70 0.00 0.00 0.00 175.10 176.07 1fv1 s GLU 96 N 1.52 4.19 0.46 2.72 2.12 -1.26 -1.78 118.70 126.66 1fv1 s GLU 96 Ca 0.03 2.46 -0.23 0.00 0.36 0.00 0.00 54.97 57.59 1fv1 s GLU 96 Cb -0.14 -3.03 -0.07 0.00 0.26 0.00 0.00 34.13 31.14 1fv1 s GLU 96 CO -0.09 -0.49 1.15 -2.14 -0.54 0.00 0.00 175.26 173.15 1fv1 s PRO 97 N -1.14 3.77 -0.32 4.30 0.02 -1.26 -4.54 135.00 135.84 1fv1 s PRO 97 Ca 0.57 1.73 -0.09 0.00 0.02 0.00 0.00 61.00 63.23 1fv1 s PRO 97 Cb -0.45 -2.39 -0.00 0.00 0.02 0.00 0.00 34.50 31.68 1fv1 s PRO 97 CO 0.52 -0.53 0.15 0.21 -0.33 0.00 0.00 177.00 177.02 1fv1 s LYS 98 N -2.72 3.23 -0.17 5.54 2.47 0.49 -4.89 119.74 123.69 1fv1 s LYS 98 Ca 0.64 -0.79 -0.08 0.00 -1.56 0.00 0.00 55.97 54.18 1fv1 s LYS 98 Cb -0.27 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 1fv1 s LYS 98 CO 0.33 -0.45 0.10 0.08 0.16 0.00 0.00 175.35 175.56 1fv1 s VAL 99 N 1.59 5.11 -0.01 4.02 1.01 -1.26 -0.95 120.40 129.90 1fv1 s VAL 99 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1fv1 s VAL 99 Cb -0.17 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1fv1 s VAL 99 CO 0.06 0.48 0.04 0.42 0.00 0.00 0.00 175.10 176.10 1fv1 s THR 100 N 0.09 0.01 -0.03 3.92 -4.23 -0.61 -5.00 115.64 109.79 1fv1 s THR 100 Ca 0.07 -0.09 0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1fv1 s THR 100 Cb -0.12 -0.09 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 1fv1 s THR 100 CO -0.00 -0.05 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.09 1fv1 s VAL 101 N -0.14 2.16 -0.07 2.29 1.01 -1.26 -0.68 120.40 123.71 1fv1 s VAL 101 Ca -0.02 -1.06 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1fv1 s VAL 101 Cb -0.01 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.72 1fv1 s VAL 101 CO 0.00 0.58 0.93 -0.72 0.00 0.00 0.00 175.10 175.89 1fv1 s TYR 102 N -0.51 -0.36 0.26 5.22 1.13 -0.30 -4.99 117.35 117.80 1fv1 s TYR 102 Ca 0.07 0.41 -0.30 0.00 -1.41 0.00 0.00 57.07 55.85 1fv1 s TYR 102 Cb -0.11 0.50 -0.09 0.00 -1.10 0.00 0.00 41.96 41.16 1fv1 s TYR 102 CO 0.00 -0.46 1.01 -1.25 -2.51 0.00 0.00 175.55 172.35 1fv1 s PRO 103 N -2.24 4.74 0.32 -3.49 0.04 -1.26 0.90 135.00 134.02 1fv1 s PRO 103 Ca 0.02 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 1fv1 s PRO 103 Cb -0.01 -3.22 -0.13 0.00 0.04 0.00 0.00 34.50 31.18 1fv1 s PRO 103 CO -0.04 0.37 0.95 0.00 0.04 0.00 0.00 177.00 178.31 1fv1 n ALA 104 N 1.31 -0.36 1.33 8.56 0.00 0.99 -4.84 120.51 127.48 1fv1 n ALA 104 Ca -0.01 0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.90 1fv1 n ALA 104 Cb 0.46 -1.99 0.70 0.00 0.00 0.00 0.00 19.45 18.62 1fv1 n ALA 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fv1 n ARG 105 N 0.61 0.41 -3.96 0.00 1.74 -1.26 -4.64 116.66 109.55 1fv1 n ARG 105 Ca 0.10 0.02 -0.20 0.00 -0.77 0.00 0.00 57.85 57.00 1fv1 n ARG 105 Cb 0.34 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.11 1fv1 n ARG 105 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1fv1 s THR 106 N -2.55 0.38 -0.00 0.55 2.01 -1.26 -5.15 115.64 109.62 1fv1 s THR 106 Ca 0.27 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.34 1fv1 s THR 106 Cb 0.19 -0.48 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1fv1 s THR 106 CO 0.42 0.22 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.31 1fv1 s GLN 107 N 1.32 1.21 -0.05 4.92 -1.52 -1.26 -5.03 119.66 119.25 1fv1 s GLN 107 Ca -0.05 -0.60 0.05 0.00 -1.95 0.00 0.00 55.36 52.81 1fv1 s GLN 107 Cb -0.13 -1.19 -0.00 0.00 -0.22 0.00 0.00 33.01 31.46 1fv1 s GLN 107 CO -0.02 0.32 -0.20 0.95 -0.25 0.00 0.00 175.29 176.09 1fv1 s THR 108 N -0.45 1.67 0.00 -0.19 -4.23 -1.26 -4.93 115.64 106.25 1fv1 s THR 108 Ca 0.05 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1fv1 s THR 108 Cb -0.06 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.35 1fv1 s THR 108 CO -0.00 0.47 0.00 0.18 -0.54 0.00 0.00 174.62 174.73 1fv1 n LEU 109 N 3.15 -1.50 -3.49 4.79 4.32 -1.26 -4.99 117.00 118.02 1fv1 n LEU 109 Ca -0.18 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.53 1fv1 n LEU 109 Cb 0.53 -0.75 -0.08 0.00 -1.62 0.00 0.00 43.42 41.49 1fv1 n LEU 109 CO 0.25 0.00 0.09 0.00 -1.22 0.00 0.00 177.39 176.51 1fv1 n GLN 110 N 0.75 2.50 0.00 3.23 1.13 -1.26 -4.39 117.38 119.34 1fv1 n GLN 110 Ca 0.00 -4.66 0.00 0.00 -1.94 0.00 0.00 57.00 50.40 1fv1 n GLN 110 Cb 0.00 -2.27 0.00 0.00 0.11 0.00 0.00 30.24 28.08 1fv1 n GLN 110 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1fv1 n HIS 111 N 0.98 0.00 -2.61 1.08 -0.00 -1.26 -5.11 115.22 108.30 1fv1 n HIS 111 Ca 0.29 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.78 1fv1 n HIS 111 Cb 0.40 0.00 0.08 0.00 -0.00 0.00 0.00 29.99 30.47 1fv1 n HIS 111 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1fv1 s HIS 112 N 0.00 2.04 -0.13 -1.40 4.02 -1.26 -4.49 115.29 114.07 1fv1 s HIS 112 Ca 0.00 -0.18 -0.04 0.00 1.02 0.00 0.00 55.06 55.85 1fv1 s HIS 112 Cb 0.00 -2.88 0.07 0.00 -1.02 0.00 0.00 32.58 28.74 1fv1 s HIS 112 CO 0.00 -1.40 0.23 1.21 1.02 0.00 0.00 174.74 175.80 1fv1 s ASN 113 N -4.62 0.66 -0.48 1.40 3.04 0.59 -4.87 114.94 110.65 1fv1 s ASN 113 Ca 0.63 0.36 -0.23 0.00 0.04 0.00 0.00 52.86 53.66 1fv1 s ASN 113 Cb -0.07 0.52 0.03 0.00 -1.54 0.00 0.00 41.25 40.19 1fv1 s ASN 113 CO 0.42 -0.26 0.81 -0.22 -3.04 0.00 0.00 177.10 174.82 1fv1 s LEU 114 N 2.37 4.28 -0.03 3.21 2.96 -1.26 -0.23 118.68 129.98 1fv1 s LEU 114 Ca 0.03 -0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 53.53 1fv1 s LEU 114 Cb -0.13 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.64 1fv1 s LEU 114 CO -0.08 -1.00 0.40 -0.76 -1.32 0.00 0.00 176.35 173.58 1fv1 s LEU 115 N 3.41 4.43 -0.13 -0.68 1.02 -0.13 -0.01 118.68 126.59 1fv1 s LEU 115 Ca 0.28 0.89 0.01 0.00 0.02 0.00 0.00 54.13 55.34 1fv1 s LEU 115 Cb -0.13 -2.56 -0.00 0.00 0.02 0.00 0.00 46.19 43.51 1fv1 s LEU 115 CO 0.21 0.27 -0.17 -0.69 0.02 0.00 0.00 176.35 175.99 1fv1 s VAL 116 N -0.76 2.60 -0.34 -1.59 1.01 0.26 -0.29 120.40 121.29 1fv1 s VAL 116 Ca 0.23 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1fv1 s VAL 116 Cb -0.16 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1fv1 s VAL 116 CO 0.12 0.53 0.09 0.00 0.00 0.00 0.00 175.10 175.84 1fv1 s SER 118 N 1.45 6.13 -0.37 0.00 0.15 0.14 -1.36 113.70 119.84 1fv1 s SER 118 Ca -0.02 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 1fv1 s SER 118 Cb -0.20 -2.13 0.08 0.00 -1.71 0.00 0.00 66.02 62.07 1fv1 s SER 118 CO 0.01 0.01 0.14 -0.69 1.20 0.00 0.00 173.24 173.91 1fv1 s VAL 119 N 1.30 3.33 0.12 4.45 1.01 -0.49 -1.57 120.40 128.55 1fv1 s VAL 119 Ca 0.09 -1.71 0.08 0.00 0.00 0.00 0.00 61.98 60.44 1fv1 s VAL 119 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1fv1 s VAL 119 CO 0.07 -0.45 -0.11 0.20 0.00 0.00 0.00 175.10 174.80 1fv1 s ASN 120 N 1.64 4.31 -1.50 3.32 0.01 -0.12 -1.69 114.94 120.91 1fv1 s ASN 120 Ca 0.03 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.72 1fv1 s ASN 120 Cb -0.22 -0.78 0.00 0.00 0.41 0.00 0.00 41.25 40.66 1fv1 s ASN 120 CO -0.02 0.17 0.29 0.61 -1.51 0.00 0.00 177.10 176.64 1fv1 n GLY 121 N 0.61 -0.40 3.98 0.66 0.00 -0.53 -0.38 105.19 109.14 1fv1 n GLY 121 Ca -0.13 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1fv1 n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fv1 s PHE 122 N -3.03 2.99 -0.29 1.61 -0.12 -0.84 -4.64 117.98 113.65 1fv1 s PHE 122 Ca 0.14 -0.12 -0.20 0.00 -0.05 0.00 0.00 56.93 56.70 1fv1 s PHE 122 Cb -0.06 -2.35 0.15 0.00 -0.63 0.00 0.00 43.02 40.12 1fv1 s PHE 122 CO 0.18 -0.41 1.07 -0.47 -0.05 0.00 0.00 175.22 175.54 1fv1 s TYR 123 N -2.45 -0.44 1.26 3.49 6.14 -0.74 0.17 117.35 124.79 1fv1 s TYR 123 Ca 0.51 0.97 -0.20 0.00 0.64 0.00 0.00 57.07 58.99 1fv1 s TYR 123 Cb -0.10 0.34 0.31 0.00 0.42 0.00 0.00 41.96 42.93 1fv1 s TYR 123 CO 0.35 -0.22 1.06 -2.14 0.64 0.00 0.00 175.55 175.24 1fv1 s PRO 124 N 0.77 -1.70 0.43 4.97 0.02 -1.26 -0.84 135.00 137.40 1fv1 s PRO 124 Ca -0.03 0.02 0.19 0.00 0.02 0.00 0.00 61.00 61.20 1fv1 s PRO 124 Cb -0.04 -1.53 0.98 0.00 0.02 0.00 0.00 34.50 33.93 1fv1 s PRO 124 CO -0.12 -4.04 1.91 0.78 -0.33 0.00 0.00 177.00 175.20 1fv1 h GLY 125 N -2.82 0.00 -5.61 0.52 0.00 -1.99 -3.44 103.07 89.73 1fv1 h GLY 125 Ca -0.45 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.29 1fv1 h GLY 125 CO 0.33 0.00 1.15 -1.26 0.00 0.00 0.00 176.54 176.76 1fv1 n SER 126 N -3.89 3.72 -3.49 0.19 2.88 -1.26 -4.96 113.62 106.82 1fv1 n SER 126 Ca -0.02 0.95 -0.14 0.00 -1.33 0.00 0.00 58.87 58.33 1fv1 n SER 126 Cb 0.35 -1.43 -0.04 0.00 -0.75 0.00 0.00 64.21 62.34 1fv1 n SER 126 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1fv1 s ILE 127 N 4.23 0.01 -0.13 2.46 2.07 -1.26 -4.49 121.20 124.09 1fv1 s ILE 127 Ca 0.91 -0.11 -0.01 0.00 -1.41 0.00 0.00 60.65 60.04 1fv1 s ILE 127 Cb -0.60 -1.01 0.03 0.00 0.13 0.00 0.00 42.46 41.02 1fv1 s ILE 127 CO 0.48 -0.06 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.80 1fv1 s GLU 128 N -2.92 1.20 -0.16 3.50 0.41 -0.43 -5.00 118.70 115.30 1fv1 s GLU 128 Ca -0.03 -0.27 0.01 0.00 -0.41 0.00 0.00 54.97 54.27 1fv1 s GLU 128 Cb -0.00 -1.63 0.01 0.00 -1.78 0.00 0.00 34.13 30.73 1fv1 s GLU 128 CO -0.06 -0.36 -0.18 0.08 -0.49 0.00 0.00 175.26 174.26 1fv1 s VAL 129 N 1.76 2.40 0.06 2.63 1.01 -1.26 -0.71 120.40 126.28 1fv1 s VAL 129 Ca 0.03 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.19 1fv1 s VAL 129 Cb -0.14 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1fv1 s VAL 129 CO -0.07 0.52 -0.11 -0.13 0.00 0.00 0.00 175.10 175.31 1fv1 s ARG 130 N 0.98 0.66 0.02 2.72 0.52 0.14 -4.99 118.95 119.00 1fv1 s ARG 130 Ca -0.03 -0.85 -0.00 0.00 -0.52 0.00 0.00 55.73 54.33 1fv1 s ARG 130 Cb -0.15 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 1fv1 s ARG 130 CO -0.04 0.11 0.11 -1.58 0.02 0.00 0.00 175.30 173.92 1fv1 s TRP 131 N -1.36 3.34 -0.08 -0.53 0.52 -1.26 0.13 118.94 119.69 1fv1 s TRP 131 Ca -0.06 0.22 -0.03 0.00 0.02 0.00 0.00 56.10 56.25 1fv1 s TRP 131 Cb -0.10 -1.74 0.04 0.00 -1.15 0.00 0.00 33.47 30.52 1fv1 s TRP 131 CO 0.01 0.57 0.06 -0.06 0.02 0.00 0.00 176.95 177.55 1fv1 s PHE 132 N -1.29 0.25 -1.25 -1.98 0.40 0.43 -1.48 117.98 113.07 1fv1 s PHE 132 Ca 0.26 -0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.42 1fv1 s PHE 132 Cb -0.12 -0.62 0.12 0.00 0.51 0.00 0.00 43.02 42.91 1fv1 s PHE 132 CO 0.18 -0.31 1.58 0.50 0.70 0.00 0.00 175.22 177.87 1fv1 s ARG 133 N 2.11 4.03 0.00 0.44 3.52 -0.60 -0.70 118.95 127.75 1fv1 s ARG 133 Ca 0.04 -2.27 0.00 0.00 -0.13 0.00 0.00 55.73 53.37 1fv1 s ARG 133 Cb -0.13 -5.30 0.00 0.00 -1.56 0.00 0.00 34.95 27.96 1fv1 s ARG 133 CO -0.05 -2.01 0.00 0.09 -0.81 0.00 0.00 175.30 172.51 1fv1 n ASN 134 N 7.05 0.00 0.00 -2.12 4.13 -1.04 -3.54 115.26 119.74 1fv1 n ASN 134 Ca 0.43 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.69 1fv1 n ASN 134 Cb 0.45 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1fv1 n ASN 134 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1fv1 n SER 135 N 2.15 0.00 -3.42 6.41 3.41 -1.26 -5.04 113.62 115.87 1fv1 n SER 135 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1fv1 n SER 135 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1fv1 n SER 135 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fv1 s GLN 136 N 0.00 0.29 -0.34 4.33 1.11 -1.23 -5.11 119.66 118.71 1fv1 s GLN 136 Ca 0.00 -0.09 -0.34 0.00 0.01 0.00 0.00 55.36 54.94 1fv1 s GLN 136 Cb 0.00 -0.78 -0.11 0.00 -1.01 0.00 0.00 33.01 31.11 1fv1 s GLN 136 CO 0.00 -0.95 2.20 0.39 0.01 0.00 0.00 175.29 176.94 1fv1 n GLU 137 N 5.31 1.16 -1.37 2.91 -0.58 -1.25 -1.56 120.64 125.26 1fv1 n GLU 137 Ca -0.03 0.31 -0.43 0.00 -0.42 0.00 0.00 57.16 56.59 1fv1 n GLU 137 Cb 0.47 -2.56 -0.04 0.00 -0.57 0.00 0.00 31.44 28.74 1fv1 n GLU 137 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1fv1 n GLU 138 N 8.29 1.93 0.00 3.49 1.02 -0.55 -4.66 120.64 130.16 1fv1 n GLU 138 Ca 0.40 -2.11 0.01 0.00 -0.02 0.00 0.00 57.16 55.44 1fv1 n GLU 138 Cb 0.26 -3.06 0.04 0.00 -0.02 0.00 0.00 31.44 28.65 1fv1 n GLU 138 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1fv1 n LYS 139 N 6.80 0.01 -4.17 3.49 4.01 -1.26 -4.60 118.16 122.43 1fv1 n LYS 139 Ca 0.50 0.41 -0.26 0.00 -0.51 0.00 0.00 58.31 58.45 1fv1 n LYS 139 Cb 0.40 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 33.35 1fv1 n LYS 139 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fv1 s ALA 140 N -2.86 3.30 -1.25 7.82 0.00 -1.26 -4.58 121.76 122.94 1fv1 s ALA 140 Ca 0.01 -1.34 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 1fv1 s ALA 140 Cb 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1fv1 s ALA 140 CO 0.03 0.48 0.34 0.41 0.00 0.00 0.00 175.76 177.01 1fv1 n GLY 141 N -0.22 -0.25 3.07 0.00 0.00 -1.26 -4.86 105.19 101.67 1fv1 n GLY 141 Ca -0.09 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 1fv1 n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fv1 s VAL 142 N -2.96 1.77 -0.03 1.61 1.01 -1.26 -1.08 120.40 119.46 1fv1 s VAL 142 Ca 0.17 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1fv1 s VAL 142 Cb -0.07 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1fv1 s VAL 142 CO 0.21 0.49 -0.23 -0.69 0.00 0.00 0.00 175.10 174.88 1fv1 s VAL 143 N 1.29 1.87 0.14 2.92 1.01 -0.17 -4.97 120.40 122.50 1fv1 s VAL 143 Ca 0.02 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1fv1 s VAL 143 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1fv1 s VAL 143 CO -0.09 0.53 -0.20 -0.55 0.00 0.00 0.00 175.10 174.78 1fv1 s SER 144 N -0.34 2.72 0.12 3.32 0.15 -1.26 0.42 113.70 118.83 1fv1 s SER 144 Ca 0.03 -0.80 0.27 0.00 0.70 0.00 0.00 55.95 56.16 1fv1 s SER 144 Cb -0.11 -0.16 0.97 0.00 -1.71 0.00 0.00 66.02 65.01 1fv1 s SER 144 CO 0.01 0.02 1.83 0.35 1.20 0.00 0.00 173.24 176.65 1fv1 n THR 145 N 0.59 0.35 -1.11 6.45 -2.24 -0.62 -5.02 114.28 112.69 1fv1 n THR 145 Ca -0.16 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1fv1 n THR 145 Cb 0.56 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1fv1 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fv1 n GLY 146 N 1.39 -2.27 3.71 3.38 0.00 -1.26 -4.81 105.19 105.32 1fv1 n GLY 146 Ca 0.06 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1fv1 n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1fv1 s LEU 147 N 0.00 4.35 -0.11 0.99 2.96 -1.26 -4.57 118.68 121.04 1fv1 s LEU 147 Ca 0.00 2.06 0.03 0.00 -0.22 0.00 0.00 54.13 56.00 1fv1 s LEU 147 Cb 0.00 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.12 1fv1 s LEU 147 CO 0.00 -0.56 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.64 1fv1 s ILE 148 N 1.42 1.82 0.05 6.68 1.01 -0.62 -5.01 121.20 126.55 1fv1 s ILE 148 Ca 0.60 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 60.18 1fv1 s ILE 148 Cb -0.31 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 1fv1 s ILE 148 CO 0.28 0.50 0.65 -1.10 0.00 0.00 0.00 174.94 175.28 1fv1 s GLN 149 N 0.69 4.37 0.01 2.79 -0.21 -1.26 -1.42 119.66 124.64 1fv1 s GLN 149 Ca -0.11 0.87 0.23 0.00 0.02 0.00 0.00 55.36 56.37 1fv1 s GLN 149 Cb -0.16 -3.31 0.21 0.00 1.00 0.00 0.00 33.01 30.74 1fv1 s GLN 149 CO 0.02 0.44 1.19 0.09 -2.12 0.00 0.00 175.29 174.91 1fv1 n ASN 150 N 2.36 0.67 0.00 5.90 3.02 -0.81 -4.96 115.26 121.44 1fv1 n ASN 150 Ca -0.06 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1fv1 n ASN 150 Cb 0.50 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1fv1 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fv1 n GLY 151 N 1.47 0.87 0.69 7.41 0.00 -1.26 -4.90 105.19 109.47 1fv1 n GLY 151 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1fv1 n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fv1 n ASP 152 N 0.00 1.64 -1.15 1.61 5.68 -1.26 -4.95 116.55 118.12 1fv1 n ASP 152 Ca 0.00 -3.69 -0.10 0.00 -0.50 0.00 0.00 54.79 50.49 1fv1 n ASP 152 Cb 0.00 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 39.47 1fv1 n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1fv1 n TRP 153 N -0.95 -0.46 -3.93 2.11 7.02 -1.26 -5.02 117.44 114.95 1fv1 n TRP 153 Ca 0.18 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.55 1fv1 n TRP 153 Cb 0.74 -2.44 -0.12 0.00 -2.42 0.00 0.00 31.31 27.07 1fv1 n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1fv1 s THR 154 N -2.51 0.07 0.39 -0.99 -4.23 -1.26 -4.71 115.64 102.40 1fv1 s THR 154 Ca 0.00 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.00 1fv1 s THR 154 Cb 0.00 -0.22 -0.06 0.00 1.34 0.00 0.00 72.50 73.56 1fv1 s THR 154 CO 0.00 -0.32 0.06 -0.36 -0.54 0.00 0.00 174.62 173.46 1fv1 s PHE 155 N -0.97 2.55 0.06 3.99 0.40 0.13 -1.93 117.98 122.20 1fv1 s PHE 155 Ca -0.11 -0.58 -0.16 0.00 -0.60 0.00 0.00 56.93 55.48 1fv1 s PHE 155 Cb -0.07 -1.76 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1fv1 s PHE 155 CO -0.00 0.37 0.36 1.14 0.70 0.00 0.00 175.22 177.79 1fv1 s GLN 156 N -3.77 0.91 -0.27 0.44 -2.07 -0.51 -1.45 119.66 112.94 1fv1 s GLN 156 Ca 0.37 -0.52 -0.22 0.00 -1.82 0.00 0.00 55.36 53.17 1fv1 s GLN 156 Cb 0.05 0.40 0.08 0.00 -1.09 0.00 0.00 33.01 32.45 1fv1 s GLN 156 CO 0.20 -0.31 0.75 -0.08 -1.32 0.00 0.00 175.29 174.52 1fv1 s THR 157 N -2.86 0.00 -0.12 3.63 -1.32 -0.68 -1.59 115.64 112.70 1fv1 s THR 157 Ca -0.03 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1fv1 s THR 157 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1fv1 s THR 157 CO -0.05 0.00 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.45 1fv1 s LEU 158 N 0.76 2.64 -0.33 9.08 1.02 -1.26 -1.40 118.68 129.19 1fv1 s LEU 158 Ca -0.03 -0.35 0.02 0.00 0.02 0.00 0.00 54.13 53.79 1fv1 s LEU 158 Cb -0.05 -1.58 0.08 0.00 0.02 0.00 0.00 46.19 44.66 1fv1 s LEU 158 CO -0.06 0.18 0.03 -0.69 0.02 0.00 0.00 176.35 175.82 1fv1 s VAL 159 N 0.27 2.55 0.29 -1.59 1.01 -0.46 -1.59 120.40 120.88 1fv1 s VAL 159 Ca -0.10 -1.96 -0.16 0.00 0.00 0.00 0.00 61.98 59.76 1fv1 s VAL 159 Cb -0.16 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.44 1fv1 s VAL 159 CO 0.06 -0.39 0.72 -0.04 0.00 0.00 0.00 175.10 175.45 1fv1 s MET 160 N 1.05 4.05 -0.08 2.72 1.00 0.17 -2.15 119.30 126.06 1fv1 s MET 160 Ca 0.03 0.69 -0.01 0.00 0.00 0.00 0.00 55.69 56.40 1fv1 s MET 160 Cb -0.20 -2.57 0.03 0.00 0.00 0.00 0.00 34.83 32.08 1fv1 s MET 160 CO -0.05 0.24 -0.03 -1.17 0.00 0.00 0.00 175.02 174.00 1fv1 s LEU 161 N -2.68 0.90 -0.18 -0.03 0.20 0.60 -1.00 118.68 116.49 1fv1 s LEU 161 Ca 0.50 -0.17 -0.27 0.00 0.69 0.00 0.00 54.13 54.89 1fv1 s LEU 161 Cb -0.12 -0.59 -0.01 0.00 -0.43 0.00 0.00 46.19 45.04 1fv1 s LEU 161 CO 0.19 -0.15 0.92 -1.83 -0.29 0.00 0.00 176.35 175.19 1fv1 s GLU 162 N 1.73 4.30 0.35 1.98 4.04 -0.24 -0.95 118.70 129.91 1fv1 s GLU 162 Ca 0.03 1.17 0.06 0.00 0.04 0.00 0.00 54.97 56.26 1fv1 s GLU 162 Cb -0.13 -3.60 -0.02 0.00 0.02 0.00 0.00 34.13 30.41 1fv1 s GLU 162 CO -0.05 -0.43 0.20 0.25 -1.84 0.00 0.00 175.26 173.39 1fv1 n THR 163 N 4.93 0.00 -3.69 1.83 -2.24 0.68 -4.89 114.28 110.89 1fv1 n THR 163 Ca 0.07 -2.29 -0.29 0.00 -2.27 0.00 0.00 64.05 59.27 1fv1 n THR 163 Cb 0.48 0.98 -0.15 0.00 -2.10 0.00 0.00 70.33 69.54 1fv1 n THR 163 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1fv1 s VAL 164 N -3.15 0.59 -0.72 2.28 1.01 -1.26 0.22 120.40 119.37 1fv1 s VAL 164 Ca 0.29 -1.06 -0.33 0.00 0.00 0.00 0.00 61.98 60.87 1fv1 s VAL 164 Cb 0.01 -1.37 -0.17 0.00 0.00 0.00 0.00 36.38 34.85 1fv1 s VAL 164 CO 0.20 -0.58 2.46 -2.65 0.00 0.00 0.00 175.10 174.54 1fv1 n PRO 165 N 4.98 0.34 -5.03 2.72 -0.02 -1.26 -4.95 135.00 131.79 1fv1 n PRO 165 Ca -0.05 0.05 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1fv1 n PRO 165 Cb 0.43 -1.97 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 1fv1 n PRO 165 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fv1 s ARG 166 N 7.86 2.14 0.30 -0.52 3.00 -1.26 -5.10 118.95 125.35 1fv1 s ARG 166 Ca 1.22 -0.74 -0.30 0.00 0.00 0.00 0.00 55.73 55.92 1fv1 s ARG 166 Cb -1.07 -1.83 -0.12 0.00 0.00 0.00 0.00 34.95 31.94 1fv1 s ARG 166 CO 0.49 0.30 1.48 0.43 0.00 0.00 0.00 175.30 178.00 1fv1 n SER 167 N 3.07 3.38 0.00 0.23 7.64 -1.26 -2.54 113.62 124.13 1fv1 n SER 167 Ca -0.18 1.17 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1fv1 n SER 167 Cb 0.52 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1fv1 n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fv1 n GLY 168 N 1.73 1.61 3.77 0.23 0.00 -1.26 -5.06 105.19 106.21 1fv1 n GLY 168 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1fv1 n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fv1 s GLU 169 N -0.77 4.67 -0.43 1.61 2.02 -1.05 -5.04 118.70 119.71 1fv1 s GLU 169 Ca 0.00 1.35 0.02 0.00 0.02 0.00 0.00 54.97 56.36 1fv1 s GLU 169 Cb 0.00 -3.03 0.14 0.00 0.10 0.00 0.00 34.13 31.34 1fv1 s GLU 169 CO 0.00 0.41 0.26 0.14 0.02 0.00 0.00 175.26 176.08 1fv1 s VAL 170 N -1.40 1.08 0.41 2.63 -7.23 -1.26 -4.13 120.40 110.51 1fv1 s VAL 170 Ca 0.45 -2.46 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 1fv1 s VAL 170 Cb -0.22 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 1fv1 s VAL 170 CO 0.27 -0.96 1.14 -0.31 -0.31 0.00 0.00 175.10 174.93 1fv1 s TYR 171 N 0.39 3.08 -0.03 2.82 1.51 -1.25 -2.48 117.35 121.38 1fv1 s TYR 171 Ca 0.20 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 1fv1 s TYR 171 Cb -0.20 -3.32 0.03 0.00 -0.11 0.00 0.00 41.96 38.35 1fv1 s TYR 171 CO -0.03 -1.18 -0.01 0.99 -1.11 0.00 0.00 175.55 174.22 1fv1 s THR 172 N -1.50 0.24 -0.26 -0.71 2.01 0.12 -0.88 115.64 114.65 1fv1 s THR 172 Ca 0.59 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 1fv1 s THR 172 Cb -0.28 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1fv1 s THR 172 CO 0.35 0.16 0.36 0.00 -0.69 0.00 0.00 174.62 174.80 1fv1 s GLN 174 N 1.96 3.67 -0.11 0.00 0.74 0.12 -1.29 119.66 124.75 1fv1 s GLN 174 Ca 0.15 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.08 1fv1 s GLN 174 Cb -0.16 -3.02 0.01 0.00 1.10 0.00 0.00 33.01 30.94 1fv1 s GLN 174 CO 0.10 0.13 -0.20 0.08 -0.55 0.00 0.00 175.29 174.84 1fv1 s VAL 175 N 0.68 1.86 -0.16 1.34 1.01 0.11 -0.68 120.40 124.57 1fv1 s VAL 175 Ca -0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1fv1 s VAL 175 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1fv1 s VAL 175 CO 0.02 0.51 -0.11 -1.61 0.00 0.00 0.00 175.10 173.92 1fv1 s GLU 176 N 0.67 3.38 -0.08 2.72 2.02 0.11 -0.42 118.70 127.09 1fv1 s GLU 176 Ca -0.12 -0.67 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 1fv1 s GLU 176 Cb -0.16 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.36 1fv1 s GLU 176 CO 0.03 0.09 0.28 -1.58 0.02 0.00 0.00 175.26 174.10 1fv1 s HIS 177 N 0.67 -0.25 -0.10 1.61 2.46 -1.26 -1.32 115.29 117.11 1fv1 s HIS 177 Ca -0.06 0.57 0.15 0.00 0.47 0.00 0.00 55.06 56.20 1fv1 s HIS 177 Cb -0.15 0.09 0.84 0.00 -0.13 0.00 0.00 32.58 33.23 1fv1 s HIS 177 CO 0.02 -0.22 1.40 -0.35 -2.47 0.00 0.00 174.74 173.13 1fv1 n PRO 178 N 2.42 0.10 0.10 2.88 -0.04 -1.26 -1.19 135.00 138.01 1fv1 n PRO 178 Ca -0.16 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1fv1 n PRO 178 Cb 0.57 -2.02 0.43 0.00 -0.04 0.00 0.00 33.50 32.44 1fv1 n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fv1 n SER 179 N -2.09 0.71 -4.23 3.54 3.41 -1.26 -4.80 113.62 108.90 1fv1 n SER 179 Ca -0.01 0.58 -0.27 0.00 -0.26 0.00 0.00 58.87 58.91 1fv1 n SER 179 Cb 0.21 -0.77 -0.15 0.00 -0.26 0.00 0.00 64.21 63.24 1fv1 n SER 179 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1fv1 s VAL 180 N -3.12 1.67 0.24 -3.33 -7.23 -0.33 -4.87 120.40 103.43 1fv1 s VAL 180 Ca 0.10 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.36 1fv1 s VAL 180 Cb 0.13 -1.40 -0.07 0.00 0.56 0.00 0.00 36.38 35.60 1fv1 s VAL 180 CO 0.56 0.39 1.54 0.71 -0.31 0.00 0.00 175.10 177.99 1fv1 h THR 181 N 4.53 1.48 -3.82 5.32 1.35 -1.87 -3.43 112.91 116.47 1fv1 h THR 181 Ca -0.40 -2.32 -0.44 0.00 -0.55 0.00 0.00 66.41 62.69 1fv1 h THR 181 Cb 1.14 2.25 -0.21 0.00 -1.73 0.00 0.00 68.15 69.61 1fv1 h THR 181 CO 0.47 0.67 -0.78 -0.94 -0.25 0.00 0.00 175.52 174.68 1fv1 s SER 182 N -6.85 1.96 0.48 5.36 1.04 -1.26 -5.12 113.70 109.32 1fv1 s SER 182 Ca -0.02 -0.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.48 1fv1 s SER 182 Cb 0.12 -0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.10 1fv1 s SER 182 CO 0.78 -0.07 1.36 -2.16 0.98 0.00 0.00 173.24 174.14 1fv1 s PRO 183 N -2.07 3.51 0.16 4.02 0.04 -1.26 -4.93 135.00 134.48 1fv1 s PRO 183 Ca 0.03 2.26 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 1fv1 s PRO 183 Cb -0.08 -2.49 -0.08 0.00 0.04 0.00 0.00 34.50 31.89 1fv1 s PRO 183 CO 0.03 -0.90 0.68 -0.51 0.04 0.00 0.00 177.00 176.34 1fv1 s LEU 184 N -3.02 4.46 0.02 -3.56 1.43 0.44 -4.86 118.68 113.59 1fv1 s LEU 184 Ca 0.65 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 1fv1 s LEU 184 Cb -0.40 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1fv1 s LEU 184 CO 0.50 0.15 -0.09 0.42 0.23 0.00 0.00 176.35 177.56 1fv1 s THR 185 N -1.30 0.70 -0.05 5.49 -4.23 -1.26 0.09 115.64 115.07 1fv1 s THR 185 Ca 0.37 -0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 60.17 1fv1 s THR 185 Cb -0.19 -0.65 0.03 0.00 1.34 0.00 0.00 72.50 73.03 1fv1 s THR 185 CO 0.22 -0.02 0.05 -0.69 -0.54 0.00 0.00 174.62 173.64 1fv1 s VAL 186 N -0.66 -0.04 0.41 2.29 1.01 -0.41 -4.96 120.40 118.03 1fv1 s VAL 186 Ca -0.01 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1fv1 s VAL 186 Cb -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1fv1 s VAL 186 CO 0.00 0.16 0.67 -1.61 0.00 0.00 0.00 175.10 174.32 1fv1 s GLU 187 N 2.14 3.52 -0.23 2.72 2.02 -1.26 -0.59 118.70 127.03 1fv1 s GLU 187 Ca 0.05 -0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.00 1fv1 s GLU 187 Cb -0.12 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.65 1fv1 s GLU 187 CO -0.04 -0.03 -0.06 -0.46 0.02 0.00 0.00 175.26 174.70 1fv1 s TRP 188 N -2.52 2.37 -0.43 1.61 -0.00 -0.06 -4.94 118.94 114.97 1fv1 s TRP 188 Ca 0.44 -1.70 -0.28 0.00 -0.00 0.00 0.00 56.10 54.56 1fv1 s TRP 188 Cb -0.10 -1.57 -0.01 0.00 -0.00 0.00 0.00 33.47 31.78 1fv1 s TRP 188 CO 0.40 -0.76 1.76 -0.98 -0.00 0.00 0.00 176.95 177.37 1fv1 s ARG 189 N 1.41 3.15 0.00 5.86 1.70 -1.26 -3.96 118.95 125.85 1fv1 s ARG 189 Ca -0.05 1.10 0.18 0.00 -0.47 0.00 0.00 55.73 56.49 1fv1 s ARG 189 Cb -0.18 -4.23 1.09 0.00 -0.57 0.00 0.00 34.95 31.06 1fv1 s ARG 189 CO -0.06 -2.08 1.49 0.00 -1.08 0.00 0.00 175.30 173.56