#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e46 s HIS 1 N 0.00 2.58 0.26 3.17 2.46 -1.26 -5.13 115.29 117.37 2e46 s HIS 1 Ca 0.00 -0.24 0.08 0.00 0.47 0.00 0.00 55.06 55.37 2e46 s HIS 1 Cb 0.00 -1.46 -0.05 0.00 -0.13 0.00 0.00 32.58 30.93 2e46 s HIS 1 CO 0.00 0.27 -0.12 -1.01 -2.47 0.00 0.00 174.74 171.41 2e46 s HIS 2 N -0.95 1.97 0.84 3.88 4.02 -1.26 -5.16 115.29 118.64 2e46 s HIS 2 Ca 0.15 -0.56 -0.11 0.00 1.02 0.00 0.00 55.06 55.56 2e46 s HIS 2 Cb -0.11 -0.99 0.19 0.00 -1.02 0.00 0.00 32.58 30.65 2e46 s HIS 2 CO 0.06 0.43 1.15 0.41 1.02 0.00 0.00 174.74 177.81 2e46 n GLY 3 N -0.53 -0.94 3.73 -2.22 0.00 -1.26 -5.03 105.19 98.94 2e46 n GLY 3 Ca -0.06 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2e46 n GLY 3 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2e46 s PHE 4 N -3.47 3.66 -0.19 1.61 5.99 -1.26 -5.03 117.98 119.30 2e46 s PHE 4 Ca 0.67 1.65 -0.06 0.00 0.00 0.00 0.00 56.93 59.19 2e46 s PHE 4 Cb -0.02 -3.20 -0.03 0.00 0.00 0.00 0.00 43.02 39.76 2e46 s PHE 4 CO 0.47 -0.35 0.03 0.99 -0.00 0.00 0.00 175.22 176.36 2e46 s THR 5 N 0.04 4.37 0.02 0.12 2.01 -1.26 -5.11 115.64 115.83 2e46 s THR 5 Ca 0.50 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 2e46 s THR 5 Cb -0.27 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.22 2e46 s THR 5 CO 0.32 0.44 0.77 0.42 -0.69 0.00 0.00 174.62 175.87 2e46 s THR 6 N 0.70 4.81 0.47 -0.82 -4.23 -1.26 -5.01 115.64 110.30 2e46 s THR 6 Ca 0.02 1.62 -0.22 0.00 -1.18 0.00 0.00 61.69 61.92 2e46 s THR 6 Cb -0.14 -4.11 -0.07 0.00 1.34 0.00 0.00 72.50 69.52 2e46 s THR 6 CO 0.02 0.33 1.15 -2.84 -0.54 0.00 0.00 174.62 172.74 2e46 s PRO 7 N 0.20 3.72 0.00 3.99 0.02 -1.26 -4.91 135.00 136.76 2e46 s PRO 7 Ca 0.39 1.73 0.17 0.00 0.02 0.00 0.00 61.00 63.31 2e46 s PRO 7 Cb -0.20 -2.35 0.08 0.00 0.02 0.00 0.00 34.50 32.05 2e46 s PRO 7 CO 0.22 -0.57 0.96 -1.13 -0.33 0.00 0.00 177.00 176.16 2e46 n SER 8 N -0.59 2.10 -3.85 2.53 3.41 -1.26 -4.88 113.62 111.08 2e46 n SER 8 Ca 0.08 -1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 57.02 2e46 n SER 8 Cb 0.49 0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 64.50 2e46 n SER 8 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2e46 s ARG 9 N -1.60 0.22 0.19 4.33 0.52 -1.26 -0.79 118.95 120.55 2e46 s ARG 9 Ca 0.17 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.39 2e46 s ARG 9 Cb 0.14 0.10 -0.05 0.00 0.52 0.00 0.00 34.95 35.66 2e46 s ARG 9 CO 0.29 -0.04 0.00 0.00 0.02 0.00 0.00 175.30 175.57 2e46 s ALA 10 N -0.36 1.47 0.02 2.13 0.00 0.16 -1.74 121.76 123.44 2e46 s ALA 10 Ca -0.04 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.26 2e46 s ALA 10 Cb -0.03 0.54 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 2e46 s ALA 10 CO 0.00 -0.30 0.01 -1.50 0.00 0.00 0.00 175.76 173.97 2e46 s ILE 11 N -3.60 0.12 0.05 0.00 2.07 -0.27 0.25 121.20 119.82 2e46 s ILE 11 Ca 0.25 -0.99 0.06 0.00 -1.41 0.00 0.00 60.65 58.57 2e46 s ILE 11 Cb 0.06 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 2e46 s ILE 11 CO 0.05 -0.54 -0.17 0.00 -1.91 0.00 0.00 174.94 172.37 2e46 s ALA 12 N -1.82 1.42 -0.16 1.50 0.00 0.16 -0.96 121.76 121.89 2e46 s ALA 12 Ca -0.12 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2e46 s ALA 12 Cb -0.07 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2e46 s ALA 12 CO -0.02 0.29 -0.20 0.08 0.00 0.00 0.00 175.76 175.91 2e46 s VAL 13 N -0.89 1.97 -0.35 0.00 1.01 -1.26 -1.07 120.40 119.81 2e46 s VAL 13 Ca 0.04 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 2e46 s VAL 13 Cb -0.08 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 2e46 s VAL 13 CO 0.02 0.53 0.33 -0.76 0.00 0.00 0.00 175.10 175.21 2e46 s LEU 14 N 1.18 4.49 -0.09 3.92 1.02 -0.46 -4.20 118.68 124.54 2e46 s LEU 14 Ca 0.01 -0.32 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 2e46 s LEU 14 Cb -0.14 -2.27 0.04 0.00 0.02 0.00 0.00 46.19 43.84 2e46 s LEU 14 CO -0.09 -0.32 0.08 -0.94 0.02 0.00 0.00 176.35 175.10 2e46 s SER 15 N 1.73 1.57 0.40 2.29 1.04 -1.25 -1.72 113.70 117.75 2e46 s SER 15 Ca 0.10 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.37 2e46 s SER 15 Cb -0.17 -0.14 0.01 0.00 0.10 0.00 0.00 66.02 65.82 2e46 s SER 15 CO 0.11 -0.29 0.07 0.41 0.98 0.00 0.00 173.24 174.53 2e46 n THR 16 N 5.29 0.00 0.16 2.02 -1.04 0.31 -4.96 114.28 116.07 2e46 n THR 16 Ca -0.05 -1.81 -0.14 0.00 -2.04 0.00 0.00 64.05 60.01 2e46 n THR 16 Cb 0.50 0.25 -0.08 0.00 -1.82 0.00 0.00 70.33 69.18 2e46 n THR 16 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2e46 h GLU 17 N 0.00 -0.35 0.00 -2.82 4.39 -2.01 -3.27 114.58 110.52 2e46 h GLU 17 Ca -0.31 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.26 2e46 h GLU 17 Cb 0.98 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 2e46 h GLU 17 CO 0.51 -0.17 -0.72 1.79 -1.16 0.00 0.00 179.01 179.26 2e46 h THR 18 N -0.45 1.34 -3.31 1.13 1.35 -1.97 -3.48 112.91 107.52 2e46 h THR 18 Ca -0.04 -2.62 -0.65 0.00 -0.55 0.00 0.00 66.41 62.56 2e46 h THR 18 Cb 0.34 2.48 -0.24 0.00 -1.73 0.00 0.00 68.15 69.00 2e46 h THR 18 CO 0.06 0.70 -0.72 -0.63 -0.25 0.00 0.00 175.52 174.69 2e46 s ILE 19 N -3.07 3.44 -0.02 6.82 1.01 -1.24 -4.46 121.20 123.68 2e46 s ILE 19 Ca 0.01 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2e46 s ILE 19 Cb 0.10 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 40.10 2e46 s ILE 19 CO 0.77 0.51 -0.07 -0.13 0.00 0.00 0.00 174.94 176.02 2e46 s ARG 20 N 0.36 0.77 -0.25 2.79 0.52 -0.83 -0.53 118.95 121.78 2e46 s ARG 20 Ca -0.08 -0.25 -0.26 0.00 -0.52 0.00 0.00 55.73 54.62 2e46 s ARG 20 Cb -0.15 -0.74 0.13 0.00 0.52 0.00 0.00 34.95 34.71 2e46 s ARG 20 CO 0.04 0.10 1.04 0.20 0.02 0.00 0.00 175.30 176.70 2e46 s GLY 21 N 0.16 -0.16 -0.05 -3.53 0.00 -0.70 0.36 107.32 103.39 2e46 s GLY 21 Ca -0.02 2.53 0.06 0.00 0.00 0.00 0.00 44.72 47.28 2e46 s GLY 21 CO 0.00 1.61 -0.23 -1.31 0.00 0.00 0.00 173.10 173.17 2e46 s ASN 22 N -0.16 2.79 -0.11 1.64 0.02 -1.11 -1.35 114.94 116.65 2e46 s ASN 22 Ca 0.02 -0.46 -0.01 0.00 -1.02 0.00 0.00 52.86 51.39 2e46 s ASN 22 Cb -0.04 -0.71 0.03 0.00 0.02 0.00 0.00 41.25 40.55 2e46 s ASN 22 CO -0.04 0.23 -0.05 -0.63 0.02 0.00 0.00 177.10 176.62 2e46 s ILE 23 N -0.16 0.86 0.01 0.60 1.01 -0.23 -1.93 121.20 121.35 2e46 s ILE 23 Ca -0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.41 2e46 s ILE 23 Cb -0.13 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2e46 s ILE 23 CO 0.03 0.31 0.10 -0.89 0.00 0.00 0.00 174.94 174.48 2e46 s THR 24 N 1.77 4.81 -0.08 2.92 2.01 -0.18 0.35 115.64 127.24 2e46 s THR 24 Ca 0.05 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2e46 s THR 24 Cb -0.13 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.18 2e46 s THR 24 CO -0.07 0.31 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.75 2e46 s PHE 25 N -1.24 1.14 -0.05 4.92 0.08 0.14 -1.67 117.98 121.30 2e46 s PHE 25 Ca 0.24 -0.45 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2e46 s PHE 25 Cb -0.12 -0.97 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 2e46 s PHE 25 CO 0.16 -0.35 -0.05 0.99 -0.10 0.00 0.00 175.22 175.88 2e46 s THR 26 N 1.33 0.56 -0.02 0.64 2.01 -0.71 0.38 115.64 119.83 2e46 s THR 26 Ca -0.03 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 2e46 s THR 26 Cb -0.14 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 2e46 s THR 26 CO -0.03 0.23 1.24 -1.58 -0.69 0.00 0.00 174.62 173.80 2e46 s GLN 27 N 0.97 4.35 0.46 4.92 0.74 0.03 -0.34 119.66 130.78 2e46 s GLN 27 Ca -0.10 1.75 0.03 0.00 0.05 0.00 0.00 55.36 57.09 2e46 s GLN 27 Cb -0.14 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.42 2e46 s GLN 27 CO -0.00 -0.44 0.05 0.14 -0.55 0.00 0.00 175.29 174.49 2e46 s VAL 28 N 2.04 1.01 0.69 1.34 -7.23 -0.59 -4.94 120.40 112.72 2e46 s VAL 28 Ca 0.58 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.59 2e46 s VAL 28 Cb -0.27 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.37 2e46 s VAL 28 CO 0.24 0.00 1.19 -1.10 -0.31 0.00 0.00 175.10 175.12 2e46 s GLN 29 N -3.80 2.44 -0.16 4.82 -0.21 -1.26 -3.75 119.66 117.74 2e46 s GLN 29 Ca 0.16 1.70 -0.00 0.00 0.02 0.00 0.00 55.36 57.23 2e46 s GLN 29 Cb 0.03 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.16 2e46 s GLN 29 CO 0.09 -1.59 0.02 -0.25 -2.12 0.00 0.00 175.29 171.44 2e46 n ASP 30 N -2.43 -1.67 -2.50 5.90 10.43 -1.26 -3.46 116.55 121.55 2e46 n ASP 30 Ca 0.13 -0.01 -0.20 0.00 2.57 0.00 0.00 54.79 57.28 2e46 n ASP 30 Cb 0.50 -0.92 0.01 0.00 1.84 0.00 0.00 41.12 42.55 2e46 n ASP 30 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2e46 n GLY 31 N -0.93 -0.42 3.68 0.44 0.00 -1.25 -5.01 105.19 101.71 2e46 n GLY 31 Ca -0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 2e46 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e46 s LYS 32 N -5.31 2.58 -0.06 1.61 1.02 -1.23 -4.73 119.74 113.62 2e46 s LYS 32 Ca 0.15 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.39 2e46 s LYS 32 Cb -0.07 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 2e46 s LYS 32 CO 0.19 0.55 -0.22 0.14 -0.92 0.00 0.00 175.35 175.10 2e46 s VAL 33 N -1.27 2.37 -0.34 3.17 -7.23 -0.52 -1.54 120.40 115.04 2e46 s VAL 33 Ca 0.24 -0.96 -0.10 0.00 -1.81 0.00 0.00 61.98 59.35 2e46 s VAL 33 Cb -0.12 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.94 2e46 s VAL 33 CO 0.17 0.57 0.18 -2.28 -0.31 0.00 0.00 175.10 173.43 2e46 s HIS 34 N -0.28 3.21 -0.21 2.82 2.46 0.54 -0.60 115.29 123.22 2e46 s HIS 34 Ca 0.01 -0.69 -0.05 0.00 0.47 0.00 0.00 55.06 54.79 2e46 s HIS 34 Cb -0.13 -2.40 -0.03 0.00 -0.13 0.00 0.00 32.58 29.90 2e46 s HIS 34 CO 0.03 -0.52 0.01 0.08 -2.47 0.00 0.00 174.74 171.86 2e46 s VAL 35 N 1.60 4.02 -0.07 0.89 1.01 0.13 -1.74 120.40 126.23 2e46 s VAL 35 Ca 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2e46 s VAL 35 Cb -0.18 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.42 2e46 s VAL 35 CO 0.07 0.42 0.15 -1.10 0.00 0.00 0.00 175.10 174.64 2e46 s GLN 36 N 1.06 0.09 0.00 2.72 -0.21 -0.67 -0.67 119.66 121.99 2e46 s GLN 36 Ca 0.02 0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.81 2e46 s GLN 36 Cb -0.14 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.68 2e46 s GLN 36 CO 0.02 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 2e46 n GLY 37 N 4.34 1.98 3.50 3.09 0.00 0.07 -1.01 105.19 117.15 2e46 n GLY 37 Ca -0.24 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 2e46 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2e46 s GLY 38 N -0.57 -0.45 -0.09 -0.02 0.00 -0.81 -0.79 107.32 104.59 2e46 s GLY 38 Ca 0.00 1.63 0.01 0.00 0.00 0.00 0.00 44.72 46.36 2e46 s GLY 38 CO 0.00 1.39 -0.12 -0.26 0.00 0.00 0.00 173.10 174.11 2e46 s ILE 39 N 0.17 1.21 -0.04 0.90 -4.36 -0.37 -2.77 121.20 115.94 2e46 s ILE 39 Ca -0.01 -0.48 -0.03 0.00 -0.26 0.00 0.00 60.65 59.87 2e46 s ILE 39 Cb -0.04 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.50 2e46 s ILE 39 CO 0.02 0.38 0.13 0.42 0.24 0.00 0.00 174.94 176.12 2e46 s THR 40 N 1.01 5.14 0.00 8.37 -4.23 0.16 -0.60 115.64 125.48 2e46 s THR 40 Ca -0.08 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2e46 s THR 40 Cb -0.15 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2e46 s THR 40 CO -0.01 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2e46 n GLY 41 N 1.37 0.35 3.44 3.99 0.00 -0.71 -1.97 105.19 111.67 2e46 n GLY 41 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 2e46 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2e46 s LEU 42 N 0.00 2.51 1.13 0.99 1.43 -1.26 -4.67 118.68 118.82 2e46 s LEU 42 Ca 0.00 -0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 2e46 s LEU 42 Cb 0.00 -1.31 0.26 0.00 0.03 0.00 0.00 46.19 45.17 2e46 s LEU 42 CO 0.00 0.15 1.01 -0.81 0.23 0.00 0.00 176.35 176.93 2e46 n PRO 43 N 0.54 -2.10 -1.63 1.29 -0.04 -1.26 -4.22 135.00 127.59 2e46 n PRO 43 Ca -0.15 -0.58 -0.46 0.00 -0.04 0.00 0.00 63.50 62.27 2e46 n PRO 43 Cb 0.54 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.78 2e46 n PRO 43 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2e46 n PRO 44 N -4.77 1.62 0.00 0.54 -0.04 -1.23 -4.68 135.00 126.44 2e46 n PRO 44 Ca 0.05 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2e46 n PRO 44 Cb 0.54 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 2e46 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2e46 n GLY 45 N 1.98 0.75 3.72 0.55 0.00 -0.83 -4.92 105.19 106.45 2e46 n GLY 45 Ca 0.13 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2e46 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e46 s GLU 46 N -1.86 4.50 0.01 1.61 2.02 -1.26 0.44 118.70 124.17 2e46 s GLU 46 Ca 0.00 1.13 0.05 0.00 0.02 0.00 0.00 54.97 56.17 2e46 s GLU 46 Cb 0.00 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.77 2e46 s GLU 46 CO 0.00 0.05 -0.16 0.71 0.02 0.00 0.00 175.26 175.88 2e46 s TYR 47 N 0.75 1.44 0.18 1.61 1.51 0.19 -3.56 117.35 119.47 2e46 s TYR 47 Ca 0.44 -0.30 -0.33 0.00 -1.01 0.00 0.00 57.07 55.87 2e46 s TYR 47 Cb -0.20 -0.90 -0.13 0.00 -0.11 0.00 0.00 41.96 40.62 2e46 s TYR 47 CO 0.23 0.01 1.67 0.41 -1.11 0.00 0.00 175.55 176.76 2e46 n GLY 48 N 2.40 1.37 2.82 0.71 0.00 -0.70 -0.04 105.19 111.75 2e46 n GLY 48 Ca -0.16 0.65 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 2e46 n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2e46 s PHE 49 N 1.23 1.49 0.07 1.61 2.19 0.22 -0.02 117.98 124.77 2e46 s PHE 49 Ca 0.77 -1.10 -0.00 0.00 0.33 0.00 0.00 56.93 56.93 2e46 s PHE 49 Cb -0.58 -1.21 -0.04 0.00 -1.31 0.00 0.00 43.02 39.87 2e46 s PHE 49 CO 0.35 -0.64 -0.03 -1.01 1.83 0.00 0.00 175.22 175.72 2e46 s HIS 50 N 1.70 0.62 -0.29 10.12 0.09 -0.91 -3.46 115.29 123.16 2e46 s HIS 50 Ca -0.02 -1.05 -0.17 0.00 -0.00 0.00 0.00 55.06 53.83 2e46 s HIS 50 Cb -0.17 -0.42 -0.03 0.00 -0.00 0.00 0.00 32.58 31.96 2e46 s HIS 50 CO -0.07 -0.34 0.45 0.54 -0.00 0.00 0.00 174.74 175.31 2e46 s VAL 51 N -3.87 5.11 0.44 -0.90 0.11 0.11 -0.57 120.40 120.83 2e46 s VAL 51 Ca 0.09 0.60 -0.07 0.00 -2.93 0.00 0.00 61.98 59.67 2e46 s VAL 51 Cb 0.07 -3.80 -0.05 0.00 -1.53 0.00 0.00 36.38 31.08 2e46 s VAL 51 CO -0.08 0.04 0.76 -1.00 -3.33 0.00 0.00 175.10 171.49 2e46 s HIS 52 N 2.21 3.53 0.14 1.54 3.76 -0.66 -0.58 115.29 125.23 2e46 s HIS 52 Ca 0.18 0.86 -0.12 0.00 -0.15 0.00 0.00 55.06 55.83 2e46 s HIS 52 Cb -0.16 -2.32 -0.01 0.00 1.11 0.00 0.00 32.58 31.20 2e46 s HIS 52 CO 0.10 -0.18 1.54 1.49 -0.85 0.00 0.00 174.74 176.84 2e46 h GLU 53 N 0.68 0.87 -5.79 1.40 4.81 -0.63 -2.53 114.58 113.39 2e46 h GLU 53 Ca -0.47 -0.35 -0.67 0.00 -0.13 0.00 0.00 59.36 57.74 2e46 h GLU 53 Cb 1.20 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.38 2e46 h GLU 53 CO 0.63 0.99 -0.62 0.15 -0.73 0.00 0.00 179.01 179.43 2e46 s LYS 54 N -4.74 3.20 -0.18 1.92 -0.14 -0.76 -4.68 119.74 114.37 2e46 s LYS 54 Ca -0.12 -0.40 -0.03 0.00 -1.36 0.00 0.00 55.97 54.06 2e46 s LYS 54 Cb 0.11 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 2e46 s LYS 54 CO 0.84 0.60 2.73 0.41 -0.76 0.00 0.00 175.35 179.16 2e46 n GLY 55 N 2.47 3.45 3.29 -3.33 0.00 -0.41 -3.53 105.19 107.14 2e46 n GLY 55 Ca -0.18 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2e46 n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e46 s ASP 56 N 1.21 5.80 -0.01 1.61 -1.08 -1.26 -4.94 116.67 118.01 2e46 s ASP 56 Ca 0.43 -1.55 0.20 0.00 -0.52 0.00 0.00 52.55 51.12 2e46 s ASP 56 Cb 0.25 -2.05 0.59 0.00 -1.46 0.00 0.00 42.92 40.25 2e46 s ASP 56 CO -0.06 -0.61 1.49 0.18 0.52 0.00 0.00 175.17 176.70 2e46 n LEU 57 N 5.00 3.61 0.27 -1.34 4.32 -1.26 -2.87 117.00 124.73 2e46 n LEU 57 Ca -0.11 -1.81 0.11 0.00 -0.02 0.00 0.00 56.01 54.19 2e46 n LEU 57 Cb 0.43 -0.45 0.74 0.00 -1.62 0.00 0.00 43.42 42.51 2e46 n LEU 57 CO 0.42 0.88 1.04 0.77 -1.22 0.00 0.00 177.39 179.29 2e46 h SER 58 N 3.89 0.00 -0.43 -1.43 4.64 -1.93 -1.51 113.55 116.78 2e46 h SER 58 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2e46 h SER 58 Cb 0.92 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.86 2e46 h SER 58 CO 0.01 0.06 -0.06 0.61 -0.87 0.00 0.00 176.83 176.57 2e46 n GLY 59 N -1.21 5.02 7.00 -0.77 0.00 -1.26 -5.03 105.19 108.95 2e46 n GLY 59 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2e46 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e46 n GLY 60 N -1.10 0.70 0.47 -0.02 0.00 -0.57 -3.09 105.19 101.58 2e46 n GLY 60 Ca 0.36 -0.80 0.25 0.00 0.00 0.00 0.00 46.02 45.83 2e46 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e46 h LEU 62 N 0.00 1.02 0.00 0.00 7.12 -1.87 -2.62 115.31 118.96 2e46 h LEU 62 Ca 0.37 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.29 2e46 h LEU 62 Cb 2.16 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 42.03 2e46 h LEU 62 CO -0.00 0.81 0.00 -1.54 -0.13 0.00 0.00 178.44 177.58 2e46 n SER 63 N -4.41 0.00 -0.00 1.25 3.41 0.26 -2.14 113.62 111.98 2e46 n SER 63 Ca 0.08 -0.24 0.16 0.00 -0.26 0.00 0.00 58.87 58.61 2e46 n SER 63 Cb 0.08 -0.14 0.92 0.00 -0.26 0.00 0.00 64.21 64.81 2e46 n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2e46 n THR 64 N -1.14 0.00 -4.98 6.66 -2.24 -0.99 -4.26 114.28 107.34 2e46 n THR 64 Ca 0.10 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2e46 n THR 64 Cb 0.09 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2e46 n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e46 n GLY 65 N 0.99 1.85 2.32 3.38 0.00 -0.91 -1.83 105.19 110.98 2e46 n GLY 65 Ca 0.23 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 2e46 n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2e46 n SER 66 N -1.18 0.90 -4.73 1.61 3.41 -1.26 -4.71 113.62 107.66 2e46 n SER 66 Ca 0.00 -1.73 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 2e46 n SER 66 Cb 0.00 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 2e46 n SER 66 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2e46 s HIS 67 N -1.62 3.35 -0.19 7.33 3.76 -1.26 -0.65 115.29 126.01 2e46 s HIS 67 Ca 0.39 1.23 -0.34 0.00 -0.15 0.00 0.00 55.06 56.19 2e46 s HIS 67 Cb -0.02 -3.53 -0.11 0.00 1.11 0.00 0.00 32.58 30.03 2e46 s HIS 67 CO 0.26 -1.65 2.02 0.34 -0.85 0.00 0.00 174.74 174.85 2e46 n PHE 68 N 3.26 2.05 -3.10 1.40 7.35 0.26 -4.65 117.46 124.03 2e46 n PHE 68 Ca 0.08 0.08 -0.18 0.00 -0.76 0.00 0.00 57.45 56.67 2e46 n PHE 68 Cb 0.44 -2.63 -0.02 0.00 0.35 0.00 0.00 39.48 37.62 2e46 n PHE 68 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2e46 n ASN 69 N 8.32 1.29 0.08 -2.13 4.05 -1.26 -1.82 115.26 123.78 2e46 n ASN 69 Ca 0.29 -3.05 0.10 0.00 0.45 0.00 0.00 54.58 52.38 2e46 n ASN 69 Cb 0.29 -0.60 0.42 0.00 1.23 0.00 0.00 39.78 41.12 2e46 n ASN 69 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2e46 n PRO 70 N 0.18 0.12 -0.03 1.20 -0.04 -1.26 -2.09 135.00 133.08 2e46 n PRO 70 Ca 0.24 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 2e46 n PRO 70 Cb 0.65 -1.72 0.33 0.00 -0.04 0.00 0.00 33.50 32.72 2e46 n PRO 70 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e46 n GLU 71 N -1.94 1.98 -2.01 0.54 4.71 -1.26 -4.96 120.64 117.71 2e46 n GLU 71 Ca 0.03 -1.44 -0.17 0.00 -0.01 0.00 0.00 57.16 55.57 2e46 n GLU 71 Cb 0.22 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.15 2e46 n GLU 71 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2e46 n HIS 72 N 0.73 -0.50 -2.51 -0.32 8.25 -0.89 -4.99 115.22 114.99 2e46 n HIS 72 Ca 0.17 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.39 2e46 n HIS 72 Cb 0.46 -3.25 0.11 0.00 1.12 0.00 0.00 29.99 28.43 2e46 n HIS 72 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2e46 s LYS 73 N -4.31 1.64 0.57 -0.41 1.02 -1.26 -5.10 119.74 111.89 2e46 s LYS 73 Ca 0.00 -0.99 -0.08 0.00 0.02 0.00 0.00 55.97 54.92 2e46 s LYS 73 Cb 0.00 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.00 2e46 s LYS 73 CO 0.00 -1.49 0.92 -0.51 -0.92 0.00 0.00 175.35 173.35 2e46 s ASP 74 N -4.73 6.03 0.53 2.83 1.11 -1.26 -4.75 116.67 116.42 2e46 s ASP 74 Ca 0.66 1.06 -0.22 0.00 0.18 0.00 0.00 52.55 54.24 2e46 s ASP 74 Cb -0.06 -2.18 -0.06 0.00 1.07 0.00 0.00 42.92 41.70 2e46 s ASP 74 CO 0.45 -0.85 1.21 1.57 1.18 0.00 0.00 175.17 178.73 2e46 n HIS 75 N -2.56 1.79 -3.83 4.23 -0.00 -0.59 -2.65 115.22 111.61 2e46 n HIS 75 Ca 0.04 0.46 -0.06 0.00 -0.00 0.00 0.00 57.72 58.15 2e46 n HIS 75 Cb 0.55 -2.30 -0.01 0.00 -0.00 0.00 0.00 29.99 28.24 2e46 n HIS 75 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2e46 s GLY 76 N -0.92 -0.07 0.26 1.57 0.00 -1.26 -4.56 107.32 102.34 2e46 s GLY 76 Ca 0.70 -0.24 -0.26 0.00 0.00 0.00 0.00 44.72 44.93 2e46 s GLY 76 CO 0.51 0.01 0.88 -1.58 0.00 0.00 0.00 173.10 172.92 2e46 s HIS 77 N -3.50 3.78 0.63 1.90 5.65 -1.25 -4.72 115.29 117.79 2e46 s HIS 77 Ca 0.12 1.71 0.26 0.00 0.25 0.00 0.00 55.06 57.41 2e46 s HIS 77 Cb -0.04 -2.85 1.34 0.00 -1.18 0.00 0.00 32.58 29.84 2e46 s HIS 77 CO 0.06 0.34 1.76 -1.35 -0.65 0.00 0.00 174.74 174.90 2e46 h PRO 78 N 3.61 0.00 -0.00 2.88 0.11 -1.90 0.25 132.00 136.94 2e46 h PRO 78 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2e46 h PRO 78 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2e46 h PRO 78 CO 0.66 0.00 -0.39 0.09 -0.21 0.00 0.00 178.00 178.15 2e46 n ASN 79 N -3.18 0.52 -4.79 -2.05 3.02 -1.26 -4.89 115.26 102.63 2e46 n ASN 79 Ca 0.04 -0.28 -0.34 0.00 -0.03 0.00 0.00 54.58 53.97 2e46 n ASN 79 Cb 0.65 0.14 -0.00 0.00 -0.61 0.00 0.00 39.78 39.95 2e46 n ASN 79 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2e46 s ASP 80 N -2.90 5.87 -0.04 6.41 -0.00 0.87 -4.98 116.67 121.90 2e46 s ASP 80 Ca 0.14 2.01 -0.26 0.00 -0.00 0.00 0.00 52.55 54.44 2e46 s ASP 80 Cb 0.18 -2.56 -0.21 0.00 -0.00 0.00 0.00 42.92 40.33 2e46 s ASP 80 CO 0.64 -1.11 1.16 0.58 -0.00 0.00 0.00 175.17 176.44 2e46 h VAL 81 N 1.05 1.48 -0.77 -1.27 2.07 -1.90 -3.36 116.25 113.54 2e46 h VAL 81 Ca -0.49 -1.48 -0.50 0.00 0.82 0.00 0.00 66.70 65.05 2e46 h VAL 81 Cb 1.24 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 33.37 2e46 h VAL 81 CO 0.57 0.39 1.48 0.21 0.02 0.00 0.00 177.57 180.24 2e46 s ASN 82 N -5.92 5.95 0.21 0.57 3.04 -1.26 -4.89 114.94 112.65 2e46 s ASN 82 Ca -0.16 -1.71 0.00 0.00 0.04 0.00 0.00 52.86 51.03 2e46 s ASN 82 Cb 0.01 -2.58 -0.05 0.00 -1.54 0.00 0.00 41.25 37.10 2e46 s ASN 82 CO 0.70 -2.07 0.09 0.00 -3.04 0.00 0.00 177.10 172.78 2e46 s ARG 83 N 5.51 1.25 0.43 0.43 1.70 -1.22 -4.02 118.95 123.04 2e46 s ARG 83 Ca 0.59 -1.65 -0.17 0.00 -0.47 0.00 0.00 55.73 54.03 2e46 s ARG 83 Cb -0.00 -0.05 -0.09 0.00 -0.57 0.00 0.00 34.95 34.24 2e46 s ARG 83 CO 0.04 -0.29 0.89 -1.01 -1.08 0.00 0.00 175.30 173.85 2e46 s HIS 84 N -3.89 3.40 0.31 5.89 3.76 -1.09 -4.58 115.29 119.10 2e46 s HIS 84 Ca 0.35 1.40 0.05 0.00 -0.15 0.00 0.00 55.06 56.70 2e46 s HIS 84 Cb 0.07 -2.70 0.70 0.00 1.11 0.00 0.00 32.58 31.76 2e46 s HIS 84 CO 0.10 -0.16 1.82 0.28 -0.85 0.00 0.00 174.74 175.94 2e46 h VAL 85 N 1.45 0.82 -0.01 -0.90 2.07 -1.91 -0.90 116.25 116.86 2e46 h VAL 85 Ca -0.48 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2e46 h VAL 85 Cb 1.18 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2e46 h VAL 85 CO 0.62 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.97 2e46 n GLY 86 N -1.37 -0.87 3.28 2.17 0.00 -0.76 -4.35 105.19 103.30 2e46 n GLY 86 Ca 0.20 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 2e46 n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e46 n ASP 87 N -0.73 5.38 -0.96 1.61 9.92 -0.35 0.07 116.55 131.50 2e46 n ASP 87 Ca 0.17 -3.06 0.03 0.00 -0.53 0.00 0.00 54.79 51.41 2e46 n ASP 87 Cb 0.11 -1.48 0.15 0.00 -0.64 0.00 0.00 41.12 39.26 2e46 n ASP 87 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2e46 n LEU 88 N 4.24 2.64 0.00 0.64 4.77 -1.23 -3.73 117.00 124.33 2e46 n LEU 88 Ca 0.33 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2e46 n LEU 88 Cb 0.40 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2e46 n LEU 88 CO 0.63 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2e46 n GLY 89 N 0.37 1.88 3.21 -0.72 0.00 -1.22 -4.81 105.19 103.89 2e46 n GLY 89 Ca 0.11 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2e46 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e46 s ASN 90 N -4.00 2.45 0.46 1.61 -0.87 -1.26 -0.61 114.94 112.72 2e46 s ASN 90 Ca 0.00 -0.39 -0.08 0.00 -1.57 0.00 0.00 52.86 50.83 2e46 s ASN 90 Cb 0.00 -0.39 -0.05 0.00 -0.02 0.00 0.00 41.25 40.79 2e46 s ASN 90 CO 0.00 0.24 0.79 0.68 -2.57 0.00 0.00 177.10 176.24 2e46 s VAL 91 N -0.36 4.84 -0.18 1.60 -7.23 0.94 -4.90 120.40 115.12 2e46 s VAL 91 Ca 0.05 0.43 0.01 0.00 -1.81 0.00 0.00 61.98 60.65 2e46 s VAL 91 Cb -0.09 -3.81 0.04 0.00 0.56 0.00 0.00 36.38 33.08 2e46 s VAL 91 CO 0.00 -0.73 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.27 2e46 s VAL 92 N -2.61 1.56 0.03 1.32 1.01 -1.26 -0.64 120.40 119.82 2e46 s VAL 92 Ca 0.50 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 2e46 s VAL 92 Cb -0.10 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 2e46 s VAL 92 CO 0.40 0.22 0.73 -0.36 0.00 0.00 0.00 175.10 176.09 2e46 s PHE 93 N 1.44 3.72 0.84 5.22 0.08 0.17 -4.12 117.98 125.34 2e46 s PHE 93 Ca 0.00 1.42 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 2e46 s PHE 93 Cb -0.15 -2.78 0.16 0.00 -0.57 0.00 0.00 43.02 39.68 2e46 s PHE 93 CO -0.09 0.28 1.16 0.16 -0.10 0.00 0.00 175.22 176.64 2e46 s ASP 94 N -0.07 3.73 0.56 1.36 3.84 -0.08 -1.96 116.67 124.06 2e46 s ASP 94 Ca 0.37 -0.02 0.25 0.00 -0.00 0.00 0.00 52.55 53.15 2e46 s ASP 94 Cb -0.20 -0.19 1.55 0.00 -1.38 0.00 0.00 42.92 42.70 2e46 s ASP 94 CO 0.22 -2.30 2.11 -0.33 -0.00 0.00 0.00 175.17 174.87 2e46 h GLU 95 N -1.10 0.00 -0.41 2.11 4.39 -1.96 0.42 114.58 118.03 2e46 h GLU 95 Ca -0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2e46 h GLU 95 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2e46 h GLU 95 CO 0.40 0.00 0.00 -1.71 -1.16 0.00 0.00 179.01 176.54 2e46 n ASN 96 N -4.07 0.74 -2.80 1.42 5.15 -1.26 -4.77 115.26 109.67 2e46 n ASN 96 Ca 0.01 -2.03 -0.21 0.00 -0.60 0.00 0.00 54.58 51.75 2e46 n ASN 96 Cb 0.29 -0.22 0.03 0.00 -0.53 0.00 0.00 39.78 39.35 2e46 n ASN 96 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2e46 n HIS 97 N -0.17 -1.79 -3.89 1.20 8.25 0.15 -4.92 115.22 114.04 2e46 n HIS 97 Ca 0.02 0.45 -0.20 0.00 -0.26 0.00 0.00 57.72 57.74 2e46 n HIS 97 Cb 0.16 -4.29 -0.17 0.00 1.12 0.00 0.00 29.99 26.81 2e46 n HIS 97 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2e46 s TYR 98 N -3.14 0.51 -0.28 4.41 5.04 -1.25 -1.74 117.35 120.90 2e46 s TYR 98 Ca 0.26 -0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.64 2e46 s TYR 98 Cb -0.12 -0.61 -0.02 0.00 0.35 0.00 0.00 41.96 41.56 2e46 s TYR 98 CO 0.33 -0.22 0.53 0.45 -1.34 0.00 0.00 175.55 175.29 2e46 s SER 99 N 1.47 6.42 -0.22 4.32 0.15 0.23 -0.90 113.70 125.18 2e46 s SER 99 Ca -0.03 0.43 -0.23 0.00 0.70 0.00 0.00 55.95 56.82 2e46 s SER 99 Cb -0.13 -2.28 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 2e46 s SER 99 CO -0.03 -0.33 0.76 -0.60 1.20 0.00 0.00 173.24 174.24 2e46 s ARG 100 N 2.35 4.21 -0.20 5.44 3.52 -1.26 -1.23 118.95 131.78 2e46 s ARG 100 Ca 0.21 0.85 -0.07 0.00 -0.13 0.00 0.00 55.73 56.59 2e46 s ARG 100 Cb -0.15 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2e46 s ARG 100 CO 0.10 -0.40 0.06 0.42 -0.81 0.00 0.00 175.30 174.67 2e46 s ILE 101 N 2.42 4.61 -0.39 4.11 1.01 0.03 -4.78 121.20 128.21 2e46 s ILE 101 Ca 0.33 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.96 2e46 s ILE 101 Cb -0.16 -3.09 0.18 0.00 0.01 0.00 0.00 42.46 39.40 2e46 s ILE 101 CO 0.09 0.43 0.65 -0.62 0.00 0.00 0.00 174.94 175.49 2e46 s ASP 102 N 0.69 -1.48 0.27 3.58 2.15 -1.24 -0.76 116.67 119.88 2e46 s ASP 102 Ca 0.03 -0.65 -0.08 0.00 0.43 0.00 0.00 52.55 52.27 2e46 s ASP 102 Cb -0.13 1.90 -0.01 0.00 -0.30 0.00 0.00 42.92 44.38 2e46 s ASP 102 CO 0.02 -0.18 0.43 -1.48 -0.17 0.00 0.00 175.17 173.79 2e46 s LEU 103 N 1.96 0.63 -0.06 -1.34 0.05 0.16 -5.01 118.68 115.07 2e46 s LEU 103 Ca 0.15 -1.16 0.02 0.00 0.05 0.00 0.00 54.13 53.19 2e46 s LEU 103 Cb -0.04 1.50 0.01 0.00 -2.05 0.00 0.00 46.19 45.61 2e46 s LEU 103 CO -0.09 -1.15 -0.10 0.68 -0.55 0.00 0.00 176.35 175.13 2e46 s VAL 104 N -3.72 0.95 -0.07 1.48 -7.23 -1.26 0.17 120.40 110.71 2e46 s VAL 104 Ca 0.27 -0.37 0.04 0.00 -1.81 0.00 0.00 61.98 60.11 2e46 s VAL 104 Cb 0.00 -0.88 -0.00 0.00 0.56 0.00 0.00 36.38 36.06 2e46 s VAL 104 CO 0.13 0.31 -0.21 -0.62 -0.31 0.00 0.00 175.10 174.40 2e46 s ASP 105 N 0.69 2.63 0.00 4.85 -1.08 0.23 -4.97 116.67 119.01 2e46 s ASP 105 Ca -0.13 -0.45 0.27 0.00 -0.52 0.00 0.00 52.55 51.72 2e46 s ASP 105 Cb -0.15 -0.93 0.83 0.00 -1.46 0.00 0.00 42.92 41.21 2e46 s ASP 105 CO 0.03 0.16 1.62 -0.90 0.52 0.00 0.00 175.17 176.60 2e46 n ASP 106 N 3.29 1.88 -0.13 -0.34 5.75 -1.26 -1.44 116.55 124.29 2e46 n ASP 106 Ca -0.19 -1.63 -0.23 0.00 -0.01 0.00 0.00 54.79 52.73 2e46 n ASP 106 Cb 0.52 -0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2e46 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2e46 n GLN 107 N 0.47 0.62 -1.61 0.11 1.13 -1.26 -4.81 117.38 112.03 2e46 n GLN 107 Ca 0.18 0.20 -0.32 0.00 -1.94 0.00 0.00 57.00 55.11 2e46 n GLN 107 Cb 0.42 -1.51 0.06 0.00 0.11 0.00 0.00 30.24 29.32 2e46 n GLN 107 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2e46 s ILE 108 N -2.51 3.49 0.16 5.09 -4.36 -1.26 -4.84 121.20 116.97 2e46 s ILE 108 Ca -0.37 0.59 -0.02 0.00 -0.26 0.00 0.00 60.65 60.59 2e46 s ILE 108 Cb 0.11 -3.13 -0.04 0.00 1.25 0.00 0.00 42.46 40.66 2e46 s ILE 108 CO 0.55 -0.53 0.12 -0.55 0.24 0.00 0.00 174.94 174.77 2e46 s SER 109 N -3.08 0.21 0.00 4.36 0.15 0.09 -4.53 113.70 110.89 2e46 s SER 109 Ca 0.63 -1.23 0.25 0.00 0.70 0.00 0.00 55.95 56.30 2e46 s SER 109 Cb -0.18 0.35 0.68 0.00 -1.71 0.00 0.00 66.02 65.17 2e46 s SER 109 CO 0.48 -0.80 1.53 0.18 1.20 0.00 0.00 173.24 175.83 2e46 n LEU 110 N -0.18 2.17 -3.93 3.45 4.77 -1.26 -0.92 117.00 121.09 2e46 n LEU 110 Ca -0.03 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 55.04 2e46 n LEU 110 Cb 0.64 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2e46 n LEU 110 CO 0.30 0.40 0.35 -0.94 -1.33 0.00 0.00 177.39 176.17 2e46 s SER 111 N -1.84 0.33 0.10 -1.43 1.04 -1.26 -4.57 113.70 106.08 2e46 s SER 111 Ca 0.34 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2e46 s SER 111 Cb 0.20 0.75 0.00 0.00 0.10 0.00 0.00 66.02 67.07 2e46 s SER 111 CO 0.31 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.66 2e46 n GLY 112 N -0.53 -1.61 0.28 7.32 0.00 -1.26 -3.08 105.19 106.31 2e46 n GLY 112 Ca -0.04 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.80 2e46 n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e46 h PRO 113 N 0.00 0.00 -0.62 1.61 0.13 -2.01 -1.08 132.00 130.03 2e46 h PRO 113 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2e46 h PRO 113 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2e46 h PRO 113 CO 0.00 0.08 0.00 0.72 -0.23 0.00 0.00 178.00 178.57 2e46 n HIS 114 N -3.59 1.87 -2.17 1.56 8.25 -1.26 -4.80 115.22 115.09 2e46 n HIS 114 Ca -0.02 -0.67 -0.42 0.00 -0.26 0.00 0.00 57.72 56.35 2e46 n HIS 114 Cb 0.20 -0.43 -0.03 0.00 1.12 0.00 0.00 29.99 30.86 2e46 n HIS 114 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2e46 s GLY 115 N -0.79 1.87 0.00 -1.41 0.00 -0.41 -0.73 107.32 105.85 2e46 s GLY 115 Ca 0.52 1.01 0.18 0.00 0.00 0.00 0.00 44.72 46.43 2e46 s GLY 115 CO 0.18 2.49 1.26 0.29 0.00 0.00 0.00 173.10 177.32 2e46 n ILE 116 N 4.40 0.51 -1.81 0.90 -5.35 -0.09 -4.90 119.36 113.00 2e46 n ILE 116 Ca 0.13 -0.75 -0.42 0.00 -0.27 0.00 0.00 62.75 61.44 2e46 n ILE 116 Cb 0.43 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 2e46 n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2e46 s ILE 117 N -1.27 2.23 0.00 7.28 1.10 -1.26 -1.67 121.20 127.60 2e46 s ILE 117 Ca 0.30 0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 2e46 s ILE 117 Cb 0.18 -3.11 0.00 0.00 0.15 0.00 0.00 42.46 39.68 2e46 s ILE 117 CO 0.25 0.02 0.00 0.61 -2.11 0.00 0.00 174.94 173.71 2e46 n GLY 118 N 3.23 1.27 2.00 1.50 0.00 0.89 -4.99 105.19 109.09 2e46 n GLY 118 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2e46 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e46 n ARG 119 N -2.00 0.38 -5.22 1.61 1.74 -0.67 -1.29 116.66 111.22 2e46 n ARG 119 Ca 0.00 -1.45 -0.31 0.00 -0.77 0.00 0.00 57.85 55.32 2e46 n ARG 119 Cb 0.00 -0.29 -0.17 0.00 -1.02 0.00 0.00 32.46 30.99 2e46 n ARG 119 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2e46 s ALA 120 N -2.82 2.12 -0.08 7.54 0.00 -0.95 -1.05 121.76 126.53 2e46 s ALA 120 Ca 0.33 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 51.01 2e46 s ALA 120 Cb -0.02 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2e46 s ALA 120 CO 0.22 0.36 1.06 0.08 0.00 0.00 0.00 175.76 177.47 2e46 s VAL 121 N 0.06 4.64 -0.23 0.00 1.01 0.87 -1.65 120.40 125.09 2e46 s VAL 121 Ca -0.10 1.92 -0.03 0.00 0.00 0.00 0.00 61.98 63.77 2e46 s VAL 121 Cb -0.15 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2e46 s VAL 121 CO 0.06 0.03 -0.05 -0.69 0.00 0.00 0.00 175.10 174.44 2e46 s VAL 122 N 1.91 3.17 -0.02 2.92 1.01 0.26 -2.17 120.40 127.48 2e46 s VAL 122 Ca 0.51 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2e46 s VAL 122 Cb -0.20 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2e46 s VAL 122 CO 0.20 0.33 0.82 -0.22 0.00 0.00 0.00 175.10 176.23 2e46 s LEU 123 N 1.42 4.36 0.09 3.92 2.96 0.25 -2.15 118.68 129.53 2e46 s LEU 123 Ca 0.04 1.41 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 2e46 s LEU 123 Cb -0.15 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 2e46 s LEU 123 CO -0.04 -0.15 0.21 -1.00 -1.32 0.00 0.00 176.35 174.04 2e46 s HIS 124 N 0.76 3.44 -0.06 5.38 3.76 0.98 -1.17 115.29 128.38 2e46 s HIS 124 Ca 0.43 0.18 0.12 0.00 -0.15 0.00 0.00 55.06 55.64 2e46 s HIS 124 Cb -0.19 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 2e46 s HIS 124 CO 0.23 0.56 1.36 1.05 -0.85 0.00 0.00 174.74 177.09 2e46 h GLU 125 N 2.83 0.00 0.00 1.40 4.11 -1.30 -3.38 114.58 118.23 2e46 h GLU 125 Ca -0.46 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.89 2e46 h GLU 125 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2e46 h GLU 125 CO 0.72 0.67 -0.06 0.36 0.07 0.00 0.00 179.01 180.76 2e46 n LYS 126 N -3.26 0.99 -3.19 1.06 2.85 -0.11 -4.95 118.16 111.55 2e46 n LYS 126 Ca 0.01 -0.48 -0.35 0.00 -1.05 0.00 0.00 58.31 56.43 2e46 n LYS 126 Cb 0.81 0.25 -0.06 0.00 -0.65 0.00 0.00 35.03 35.38 2e46 n LYS 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2e46 s ALA 127 N -2.15 3.46 0.29 0.58 0.00 -1.23 -1.72 121.76 120.99 2e46 s ALA 127 Ca 0.03 0.05 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2e46 s ALA 127 Cb 0.00 -2.71 -0.10 0.00 0.00 0.00 0.00 23.12 20.31 2e46 s ALA 127 CO 0.02 0.37 1.43 0.34 0.00 0.00 0.00 175.76 177.93 2e46 s ASP 128 N -1.75 6.60 0.00 0.00 3.68 -1.26 -4.07 116.67 119.87 2e46 s ASP 128 Ca 0.43 2.76 0.21 0.00 2.13 0.00 0.00 52.55 58.08 2e46 s ASP 128 Cb -0.15 -2.64 0.35 0.00 -1.45 0.00 0.00 42.92 39.03 2e46 s ASP 128 CO 0.20 -0.71 1.32 -0.90 0.13 0.00 0.00 175.17 175.20 2e46 n ASP 129 N 1.68 3.22 -1.43 -0.34 5.75 -1.26 -4.87 116.55 119.30 2e46 n ASP 129 Ca 0.04 -1.94 -0.17 0.00 -0.01 0.00 0.00 54.79 52.71 2e46 n ASP 129 Cb 0.40 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 2e46 n ASP 129 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2e46 n TYR 130 N 1.33 -0.18 -2.48 2.11 4.01 -1.26 -2.80 117.16 117.88 2e46 n TYR 130 Ca 0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 2e46 n TYR 130 Cb 0.56 -3.01 0.01 0.00 -0.31 0.00 0.00 39.34 36.59 2e46 n TYR 130 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2e46 n GLY 131 N -0.94 -0.14 0.03 2.72 0.00 -1.17 -3.96 105.19 101.73 2e46 n GLY 131 Ca -0.18 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2e46 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2e46 n LYS 132 N -2.54 1.10 -0.85 1.61 5.02 -1.12 -4.64 118.16 116.73 2e46 n LYS 132 Ca -0.12 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.13 2e46 n LYS 132 Cb 0.60 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.60 2e46 n LYS 132 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2e46 n SER 133 N -0.22 0.11 -0.00 4.39 3.41 -1.26 -5.05 113.62 115.01 2e46 n SER 133 Ca 0.00 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 2e46 n SER 133 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2e46 n SER 133 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2e46 n ASP 134 N -2.33 1.46 -4.67 4.04 5.68 -1.26 -4.85 116.55 114.61 2e46 n ASP 134 Ca 0.00 -1.73 -0.38 0.00 -0.50 0.00 0.00 54.79 52.18 2e46 n ASP 134 Cb 0.00 -0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.03 2e46 n ASP 134 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2e46 n HIS 135 N -0.37 1.48 0.29 2.11 -0.00 -1.26 -4.92 115.22 112.55 2e46 n HIS 135 Ca 0.00 0.44 0.12 0.00 0.46 0.00 0.00 57.72 58.74 2e46 n HIS 135 Cb 0.32 -2.23 0.13 0.00 -0.12 0.00 0.00 29.99 28.09 2e46 n HIS 135 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2e46 h PRO 136 N 0.80 0.00 0.00 1.57 0.14 -1.97 -3.11 132.00 129.44 2e46 h PRO 136 Ca -0.49 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.61 2e46 h PRO 136 Cb 1.34 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.48 2e46 h PRO 136 CO 0.53 0.00 -0.19 -0.44 0.14 0.00 0.00 178.00 178.05 2e46 h ASP 137 N 0.00 0.00 -0.90 1.44 3.45 -1.91 -3.37 116.42 115.12 2e46 h ASP 137 Ca 0.00 0.00 0.23 0.00 0.43 0.00 0.00 57.03 57.69 2e46 h ASP 137 Cb 0.92 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.56 2e46 h ASP 137 CO 0.00 0.19 0.39 -1.28 -1.57 0.00 0.00 179.24 176.97 2e46 h SER 138 N 0.00 0.32 0.74 6.45 0.87 -1.45 0.54 113.55 121.02 2e46 h SER 138 Ca -0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2e46 h SER 138 Cb 0.35 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2e46 h SER 138 CO 0.02 -0.02 0.00 0.54 -0.53 0.00 0.00 176.83 176.84 2e46 n ARG 139 N -5.06 0.02 -0.04 2.24 3.00 -1.26 -2.10 116.66 113.46 2e46 n ARG 139 Ca 0.23 0.11 -0.10 0.00 -0.01 0.00 0.00 57.85 58.08 2e46 n ARG 139 Cb 0.68 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.61 2e46 n ARG 139 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2e46 n LYS 140 N -1.49 0.27 -0.04 5.56 5.02 0.75 -1.54 118.16 126.69 2e46 n LYS 140 Ca 0.06 0.11 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 2e46 n LYS 140 Cb 0.26 -0.96 0.04 0.00 -0.02 0.00 0.00 35.03 34.35 2e46 n LYS 140 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2e46 n THR 141 N -3.76 0.65 -4.64 -0.18 -2.24 0.15 -4.40 114.28 99.86 2e46 n THR 141 Ca -0.18 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 2e46 n THR 141 Cb 0.49 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2e46 n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2e46 n GLY 142 N 0.02 2.86 2.52 3.38 0.00 -0.89 -4.25 105.19 108.82 2e46 n GLY 142 Ca 0.04 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2e46 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2e46 n ASN 143 N 0.73 -1.66 -0.81 1.61 5.15 -1.26 -2.85 115.26 116.16 2e46 n ASN 143 Ca 0.00 -2.90 0.07 0.00 -0.60 0.00 0.00 54.58 51.15 2e46 n ASN 143 Cb 0.00 0.68 0.19 0.00 -0.53 0.00 0.00 39.78 40.11 2e46 n ASN 143 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2e46 n ALA 144 N 1.98 2.26 -0.12 5.20 0.00 -1.26 -4.62 120.51 123.95 2e46 n ALA 144 Ca 0.18 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2e46 n ALA 144 Cb 0.56 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2e46 n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e46 n GLY 145 N 0.83 -0.98 0.00 0.00 0.00 -1.26 -0.94 105.19 102.84 2e46 n GLY 145 Ca 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2e46 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e46 n GLY 146 N 0.00 -3.12 2.63 -0.02 0.00 -1.26 -4.70 105.19 98.73 2e46 n GLY 146 Ca 0.00 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 2e46 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e46 s ARG 147 N -2.66 0.45 0.23 1.61 0.52 -1.26 -1.90 118.95 115.94 2e46 s ARG 147 Ca 0.00 -0.81 0.23 0.00 -0.52 0.00 0.00 55.73 54.63 2e46 s ARG 147 Cb 0.00 -1.57 0.12 0.00 0.52 0.00 0.00 34.95 34.02 2e46 s ARG 147 CO 0.00 -1.01 1.19 -0.39 0.02 0.00 0.00 175.30 175.11 2e46 h VAL 148 N 6.43 0.00 -2.82 3.52 -1.51 -1.44 -3.47 116.25 116.96 2e46 h VAL 148 Ca -0.17 -0.92 -0.02 0.00 -1.23 0.00 0.00 66.70 64.36 2e46 h VAL 148 Cb 1.01 1.52 -0.13 0.00 -2.13 0.00 0.00 31.29 31.55 2e46 h VAL 148 CO 0.45 0.00 0.21 0.00 -1.23 0.00 0.00 177.57 177.01 2e46 s ALA 149 N -3.31 -1.63 0.08 5.19 0.00 -1.13 -4.92 121.76 116.04 2e46 s ALA 149 Ca 0.02 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 2e46 s ALA 149 Cb 0.09 0.73 0.08 0.00 0.00 0.00 0.00 23.12 24.02 2e46 s ALA 149 CO 0.76 -0.70 0.66 0.00 0.00 0.00 0.00 175.76 176.48 2e46 s GLY 151 N -2.26 -0.26 0.12 0.00 0.00 -0.92 -4.68 107.32 99.33 2e46 s GLY 151 Ca -0.02 0.34 -0.29 0.00 0.00 0.00 0.00 44.72 44.75 2e46 s GLY 151 CO -0.06 0.08 0.91 -1.34 0.00 0.00 0.00 173.10 172.69 2e46 s VAL 152 N -2.26 4.47 -0.32 1.40 -7.23 -1.26 -0.09 120.40 115.10 2e46 s VAL 152 Ca -0.07 1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 61.79 2e46 s VAL 152 Cb -0.01 -4.27 -0.02 0.00 0.56 0.00 0.00 36.38 32.64 2e46 s VAL 152 CO -0.01 0.37 1.78 -0.63 -0.31 0.00 0.00 175.10 176.30 2e46 s ILE 153 N -0.27 3.49 0.26 -0.62 1.01 -0.21 -4.52 121.20 120.35 2e46 s ILE 153 Ca 0.44 0.51 0.06 0.00 0.00 0.00 0.00 60.65 61.65 2e46 s ILE 153 Cb -0.23 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 2e46 s ILE 153 CO 0.29 -0.40 0.31 -0.83 0.00 0.00 0.00 174.94 174.30 2e46 s GLY 154 N 5.89 1.38 0.03 6.18 0.00 -0.14 -0.08 107.32 120.59 2e46 s GLY 154 Ca 0.79 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.84 2e46 s GLY 154 CO 0.34 -1.37 1.39 -0.42 0.00 0.00 0.00 173.10 173.03 2e46 s ILE 155 N -2.09 3.63 -2.59 0.90 1.01 -1.26 -1.11 121.20 119.69 2e46 s ILE 155 Ca 0.36 1.07 0.27 0.00 0.00 0.00 0.00 60.65 62.35 2e46 s ILE 155 Cb -0.08 -3.69 0.49 0.00 0.01 0.00 0.00 42.46 39.18 2e46 s ILE 155 CO 0.28 0.02 1.66 -0.11 0.00 0.00 0.00 174.94 176.78