#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8h s ARG 4 N 0.00 2.63 0.61 -2.82 1.70 -1.26 -4.99 118.95 114.81 1j8h s ARG 4 Ca 0.00 1.43 -0.18 0.00 -0.47 0.00 0.00 55.73 56.51 1j8h s ARG 4 Cb 0.00 -1.92 -0.04 0.00 -0.57 0.00 0.00 34.95 32.41 1j8h s ARG 4 CO 0.00 -1.39 1.04 -2.30 -1.08 0.00 0.00 175.30 171.57 1j8h n PRO 5 N -2.58 0.97 -4.36 3.89 -0.02 -1.26 -5.03 135.00 126.61 1j8h n PRO 5 Ca 0.11 0.38 -0.28 0.00 -2.02 0.00 0.00 63.50 61.68 1j8h n PRO 5 Cb 0.52 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 1j8h n PRO 5 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1j8h s ARG 6 N -2.88 1.64 -0.07 -0.52 1.81 -1.26 -5.13 118.95 112.54 1j8h s ARG 6 Ca 0.77 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 1j8h s ARG 6 Cb -0.41 -1.98 0.02 0.00 -0.45 0.00 0.00 34.95 32.13 1j8h s ARG 6 CO 0.46 0.44 -0.05 -0.06 -0.68 0.00 0.00 175.30 175.41 1j8h s PHE 7 N -1.37 1.01 -0.08 -0.53 0.40 -1.26 -5.12 117.98 111.04 1j8h s PHE 7 Ca 0.19 -0.38 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1j8h s PHE 7 Cb -0.09 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.52 1j8h s PHE 7 CO 0.10 -0.33 -0.20 -1.17 0.70 0.00 0.00 175.22 174.32 1j8h s LEU 8 N 1.40 2.34 -0.06 -0.37 2.96 -1.26 -5.03 118.68 118.67 1j8h s LEU 8 Ca -0.03 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.52 1j8h s LEU 8 Cb -0.13 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1j8h s LEU 8 CO -0.03 0.24 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.30 1j8h s GLU 9 N -0.10 2.47 0.06 1.98 2.56 -1.26 0.81 118.70 125.22 1j8h s GLU 9 Ca -0.04 -0.86 0.02 0.00 0.00 0.00 0.00 54.97 54.09 1j8h s GLU 9 Cb -0.14 -2.08 -0.03 0.00 2.00 0.00 0.00 34.13 33.88 1j8h s GLU 9 CO 0.04 0.35 -0.07 -0.65 -0.56 0.00 0.00 175.26 174.37 1j8h s GLN 10 N -0.10 0.60 -0.01 4.30 -0.21 -0.33 -4.96 119.66 118.95 1j8h s GLN 10 Ca -0.05 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.41 1j8h s GLN 10 Cb -0.14 -0.24 0.01 0.00 1.00 0.00 0.00 33.01 33.64 1j8h s GLN 10 CO 0.04 0.02 0.04 0.08 -2.12 0.00 0.00 175.29 173.35 1j8h s VAL 11 N -2.03 -0.01 -0.10 1.09 1.01 -1.26 0.39 120.40 119.49 1j8h s VAL 11 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1j8h s VAL 11 Cb -0.06 -0.06 0.03 0.00 0.00 0.00 0.00 36.38 36.29 1j8h s VAL 11 CO -0.01 0.01 -0.01 -0.54 0.00 0.00 0.00 175.10 174.55 1j8h s LYS 12 N 0.14 0.83 -0.37 2.72 1.02 0.74 -5.00 119.74 119.83 1j8h s LYS 12 Ca -0.01 -0.05 -0.11 0.00 0.02 0.00 0.00 55.97 55.81 1j8h s LYS 12 Cb -0.02 -1.27 0.02 0.00 -0.52 0.00 0.00 37.83 36.04 1j8h s LYS 12 CO -0.00 -0.34 0.22 -1.01 -0.92 0.00 0.00 175.35 173.29 1j8h s HIS 13 N 1.89 3.24 -0.03 3.18 3.76 -1.26 -0.36 115.29 125.71 1j8h s HIS 13 Ca 0.04 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 1j8h s HIS 13 Cb -0.13 -2.46 -0.03 0.00 1.11 0.00 0.00 32.58 31.07 1j8h s HIS 13 CO -0.06 -0.61 -0.09 -1.21 -0.85 0.00 0.00 174.74 171.91 1j8h s GLU 14 N 1.58 2.59 -0.25 1.40 2.02 0.13 -4.96 118.70 121.22 1j8h s GLU 14 Ca 0.03 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1j8h s GLU 14 Cb -0.19 -2.49 0.06 0.00 0.10 0.00 0.00 34.13 31.61 1j8h s GLU 14 CO 0.07 0.63 -0.08 0.00 0.02 0.00 0.00 175.26 175.90 1j8h s HIS 16 N 1.25 3.21 -0.11 0.00 3.76 -0.09 -4.98 115.29 118.32 1j8h s HIS 16 Ca -0.07 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1j8h s HIS 16 Cb -0.19 -2.42 -0.04 0.00 1.11 0.00 0.00 32.58 31.04 1j8h s HIS 16 CO -0.06 -0.38 0.05 -0.06 -0.85 0.00 0.00 174.74 173.45 1j8h s PHE 17 N 1.68 3.31 -0.08 1.40 0.40 -1.26 -1.49 117.98 121.95 1j8h s PHE 17 Ca 0.06 0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.68 1j8h s PHE 17 Cb -0.17 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.49 1j8h s PHE 17 CO 0.09 0.50 -0.11 -0.06 0.70 0.00 0.00 175.22 176.34 1j8h s PHE 18 N -0.73 1.46 -1.11 0.36 0.40 -0.62 -4.78 117.98 112.97 1j8h s PHE 18 Ca 0.12 -0.59 -0.15 0.00 -0.60 0.00 0.00 56.93 55.71 1j8h s PHE 18 Cb -0.12 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1j8h s PHE 18 CO 0.03 -0.34 0.84 -1.71 0.70 0.00 0.00 175.22 174.74 1j8h n ASN 19 N 4.09 -5.77 0.00 1.36 2.85 -1.26 -2.96 115.26 113.57 1j8h n ASN 19 Ca -0.21 -0.89 0.00 0.00 -0.11 0.00 0.00 54.58 53.37 1j8h n ASN 19 Cb 0.51 -4.12 0.00 0.00 1.24 0.00 0.00 39.78 37.41 1j8h n ASN 19 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1j8h n GLY 20 N -1.50 2.21 0.82 8.20 0.00 -1.26 -2.72 105.19 110.94 1j8h n GLY 20 Ca -0.09 -0.36 0.08 0.00 0.00 0.00 0.00 46.02 45.65 1j8h n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j8h n THR 21 N 0.00 1.97 -0.09 2.61 -2.24 -1.26 -4.60 114.28 110.67 1j8h n THR 21 Ca 0.00 -1.66 -0.04 0.00 -2.27 0.00 0.00 64.05 60.07 1j8h n THR 21 Cb 0.00 -0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.32 1j8h n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1j8h h GLU 22 N 1.84 0.74 -4.15 -0.78 4.81 -1.60 -3.41 114.58 112.03 1j8h h GLU 22 Ca 0.00 -0.22 -0.44 0.00 -0.13 0.00 0.00 59.36 58.57 1j8h h GLU 22 Cb 1.26 -0.08 -0.34 0.00 0.63 0.00 0.00 28.75 30.23 1j8h h GLU 22 CO 0.17 0.79 -0.78 0.50 -0.73 0.00 0.00 179.01 178.96 1j8h s ARG 23 N -4.88 1.05 -0.01 1.92 3.52 -1.15 -5.05 118.95 114.34 1j8h s ARG 23 Ca -0.09 -0.18 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1j8h s ARG 23 Cb 0.14 -1.00 0.02 0.00 -1.56 0.00 0.00 34.95 32.55 1j8h s ARG 23 CO 0.81 -0.07 0.01 0.08 -0.81 0.00 0.00 175.30 175.32 1j8h s VAL 24 N 0.90 0.03 -0.06 7.11 1.01 -1.26 -1.58 120.40 126.55 1j8h s VAL 24 Ca -0.11 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1j8h s VAL 24 Cb -0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 1j8h s VAL 24 CO 0.01 0.07 -0.23 -0.60 0.00 0.00 0.00 175.10 174.35 1j8h s ARG 25 N 0.57 2.39 -0.07 2.72 3.52 -0.56 -4.99 118.95 122.53 1j8h s ARG 25 Ca -0.05 -0.82 0.04 0.00 -0.13 0.00 0.00 55.73 54.78 1j8h s ARG 25 Cb -0.07 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.30 1j8h s ARG 25 CO -0.01 0.32 -0.20 0.12 -0.81 0.00 0.00 175.30 174.71 1j8h s PHE 26 N -0.04 2.57 -0.06 5.12 5.36 -1.26 -0.92 117.98 128.75 1j8h s PHE 26 Ca -0.05 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.38 1j8h s PHE 26 Cb -0.14 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.91 1j8h s PHE 26 CO 0.04 -0.11 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.08 1j8h s LEU 27 N -0.22 1.55 -0.43 6.12 1.43 -0.16 -0.43 118.68 126.54 1j8h s LEU 27 Ca -0.01 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1j8h s LEU 27 Cb -0.13 -0.70 0.12 0.00 0.03 0.00 0.00 46.19 45.51 1j8h s LEU 27 CO 0.03 0.01 0.22 -0.62 0.23 0.00 0.00 176.35 176.22 1j8h s ASP 28 N 0.72 5.17 -0.11 2.29 2.15 -0.65 0.21 116.67 126.44 1j8h s ASP 28 Ca -0.14 -2.19 -0.03 0.00 0.43 0.00 0.00 52.55 50.63 1j8h s ASP 28 Cb -0.15 -1.80 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1j8h s ASP 28 CO 0.03 -0.49 0.00 -0.13 -0.17 0.00 0.00 175.17 174.40 1j8h s ARG 29 N 0.91 3.25 -0.08 4.34 0.52 0.51 -1.62 118.95 126.77 1j8h s ARG 29 Ca 0.10 -0.42 0.05 0.00 -0.52 0.00 0.00 55.73 54.94 1j8h s ARG 29 Cb -0.22 -2.87 -0.00 0.00 0.52 0.00 0.00 34.95 32.38 1j8h s ARG 29 CO -0.04 0.55 -0.24 0.71 0.02 0.00 0.00 175.30 176.30 1j8h s TYR 30 N -0.47 2.50 -0.03 -0.53 2.02 -0.87 -0.18 117.35 119.78 1j8h s TYR 30 Ca 0.08 -0.90 0.04 0.00 -0.37 0.00 0.00 57.07 55.93 1j8h s TYR 30 Cb -0.12 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1j8h s TYR 30 CO 0.02 -0.33 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.46 1j8h s PHE 31 N 0.11 1.49 -0.33 2.71 0.08 0.16 -1.71 117.98 120.48 1j8h s PHE 31 Ca -0.12 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.52 1j8h s PHE 31 Cb -0.16 -0.99 0.05 0.00 -0.57 0.00 0.00 43.02 41.35 1j8h s PHE 31 CO 0.07 -0.10 0.08 -0.47 -0.10 0.00 0.00 175.22 174.70 1j8h s TYR 32 N -0.12 3.27 0.00 0.36 5.04 -0.25 -1.18 117.35 124.47 1j8h s TYR 32 Ca 0.01 -1.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.02 1j8h s TYR 32 Cb -0.09 -2.28 0.00 0.00 0.35 0.00 0.00 41.96 39.94 1j8h s TYR 32 CO 0.01 -0.77 0.00 0.72 -1.34 0.00 0.00 175.55 174.17 1j8h n HIS 33 N 4.74 0.00 0.11 4.97 8.25 0.24 -2.14 115.22 131.39 1j8h n HIS 33 Ca -0.12 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1j8h n HIS 33 Cb 0.44 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.57 1j8h n HIS 33 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1j8h n GLN 34 N 0.00 0.36 -3.84 -0.41 7.27 -1.26 -4.75 117.38 114.75 1j8h n GLN 34 Ca 0.00 -0.96 -0.36 0.00 0.07 0.00 0.00 57.00 55.75 1j8h n GLN 34 Cb 0.00 -1.08 -0.12 0.00 2.41 0.00 0.00 30.24 31.45 1j8h n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1j8h s GLU 35 N -0.49 3.71 -0.05 3.69 2.12 -0.91 -5.07 118.70 121.70 1j8h s GLU 35 Ca 0.05 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1j8h s GLU 35 Cb 0.03 -3.29 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1j8h s GLU 35 CO 0.05 -0.09 1.21 -2.00 -0.54 0.00 0.00 175.26 173.89 1j8h s GLU 36 N 1.35 4.35 -0.01 4.30 2.12 -1.26 -1.10 118.70 128.45 1j8h s GLU 36 Ca 0.05 1.69 0.08 0.00 0.36 0.00 0.00 54.97 57.15 1j8h s GLU 36 Cb -0.15 -3.56 -0.12 0.00 0.26 0.00 0.00 34.13 30.56 1j8h s GLU 36 CO 0.03 -0.45 0.20 2.48 -0.54 0.00 0.00 175.26 176.98 1j8h n TYR 37 N 5.20 0.00 -3.67 5.30 0.18 -0.69 -4.24 117.16 119.24 1j8h n TYR 37 Ca 0.11 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.74 1j8h n TYR 37 Cb 0.46 -0.17 -0.08 0.00 -0.38 0.00 0.00 39.34 39.17 1j8h n TYR 37 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1j8h s VAL 38 N -2.49 0.02 0.06 -3.48 0.11 -1.25 -0.31 120.40 113.06 1j8h s VAL 38 Ca -0.02 -0.13 -0.20 0.00 -2.93 0.00 0.00 61.98 58.70 1j8h s VAL 38 Cb 0.05 -0.77 0.04 0.00 -1.53 0.00 0.00 36.38 34.18 1j8h s VAL 38 CO 0.34 -0.07 0.46 0.00 -3.33 0.00 0.00 175.10 172.51 1j8h s ARG 39 N -0.54 1.01 -0.17 1.54 1.70 -0.61 -2.06 118.95 119.82 1j8h s ARG 39 Ca -0.07 -0.37 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 1j8h s ARG 39 Cb -0.03 0.45 -0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1j8h s ARG 39 CO 0.04 -0.37 -0.13 0.12 -1.08 0.00 0.00 175.30 173.89 1j8h s PHE 40 N -2.72 2.83 -0.22 5.89 5.36 -0.64 -0.26 117.98 128.23 1j8h s PHE 40 Ca -0.04 -1.04 -0.03 0.00 -0.96 0.00 0.00 56.93 54.86 1j8h s PHE 40 Cb -0.00 -1.94 -0.00 0.00 -0.34 0.00 0.00 43.02 40.73 1j8h s PHE 40 CO -0.04 -0.50 -0.06 0.34 -1.46 0.00 0.00 175.22 173.50 1j8h s ASP 41 N 0.99 4.19 0.45 6.13 -1.08 -1.26 -1.64 116.67 124.45 1j8h s ASP 41 Ca -0.02 -0.46 0.30 0.00 -0.52 0.00 0.00 52.55 51.85 1j8h s ASP 41 Cb -0.15 -1.71 1.63 0.00 -1.46 0.00 0.00 42.92 41.24 1j8h s ASP 41 CO -0.02 -0.03 1.92 0.77 0.52 0.00 0.00 175.17 178.33 1j8h h SER 42 N 8.09 0.00 0.75 -0.34 4.64 -1.12 0.42 113.55 125.99 1j8h h SER 42 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1j8h h SER 42 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1j8h h SER 42 CO 0.61 0.00 -0.29 0.47 -0.87 0.00 0.00 176.83 176.74 1j8h n ASP 43 N -2.56 0.32 -0.11 4.97 8.00 -1.26 -3.93 116.55 121.99 1j8h n ASP 43 Ca -0.02 0.10 -0.23 0.00 0.71 0.00 0.00 54.79 55.35 1j8h n ASP 43 Cb 0.06 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 1j8h n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1j8h n VAL 44 N -1.56 1.56 0.00 2.53 0.31 0.14 -5.04 118.33 116.26 1j8h n VAL 44 Ca 0.06 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1j8h n VAL 44 Cb 0.35 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1j8h n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j8h n GLY 45 N 1.78 1.84 3.44 2.92 0.00 -0.60 -5.04 105.19 109.53 1j8h n GLY 45 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.47 1j8h n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j8h s GLU 46 N -0.80 1.28 0.46 1.61 -1.05 -1.26 -4.91 118.70 114.03 1j8h s GLU 46 Ca 0.00 -1.01 -0.22 0.00 -0.15 0.00 0.00 54.97 53.59 1j8h s GLU 46 Cb 0.00 0.45 -0.08 0.00 -0.44 0.00 0.00 34.13 34.07 1j8h s GLU 46 CO 0.00 -0.51 1.13 0.71 0.95 0.00 0.00 175.26 177.54 1j8h s TYR 47 N -3.92 2.93 0.01 4.83 2.02 -1.26 -4.22 117.35 117.73 1j8h s TYR 47 Ca 0.13 1.56 0.01 0.00 -0.37 0.00 0.00 57.07 58.40 1j8h s TYR 47 Cb 0.01 -3.29 -0.01 0.00 -0.40 0.00 0.00 41.96 38.27 1j8h s TYR 47 CO -0.02 -1.29 -0.05 1.03 -1.57 0.00 0.00 175.55 173.66 1j8h s ARG 48 N -2.81 0.39 0.23 -0.62 1.81 0.65 -4.90 118.95 113.70 1j8h s ARG 48 Ca 0.64 -0.29 -0.30 0.00 -1.72 0.00 0.00 55.73 54.06 1j8h s ARG 48 Cb -0.25 -0.32 -0.09 0.00 -0.45 0.00 0.00 34.95 33.84 1j8h s ARG 48 CO 0.31 0.08 1.20 0.00 -0.68 0.00 0.00 175.30 176.21 1j8h s ALA 49 N -0.40 3.45 -0.13 2.13 0.00 -1.26 -1.58 121.76 123.97 1j8h s ALA 49 Ca -0.01 0.99 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1j8h s ALA 49 Cb -0.04 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 1j8h s ALA 49 CO -0.00 -0.37 0.32 0.28 0.00 0.00 0.00 175.76 175.99 1j8h n VAL 50 N 2.00 1.62 -4.19 0.00 0.31 0.58 -4.91 118.33 113.74 1j8h n VAL 50 Ca 0.03 -0.72 -0.11 0.00 -0.01 0.00 0.00 64.34 63.53 1j8h n VAL 50 Cb 0.44 -1.27 -0.10 0.00 -0.91 0.00 0.00 33.84 32.00 1j8h n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1j8h s THR 51 N -2.55 0.79 0.55 2.52 -4.23 -1.11 -4.98 115.64 106.63 1j8h s THR 51 Ca -0.17 -1.96 0.29 0.00 -1.18 0.00 0.00 61.69 58.67 1j8h s THR 51 Cb 0.07 -1.73 0.43 0.00 1.34 0.00 0.00 72.50 72.61 1j8h s THR 51 CO 0.77 -0.84 1.93 -0.08 -0.54 0.00 0.00 174.62 175.86 1j8h h GLU 52 N 2.92 0.00 -0.03 3.99 4.57 -1.92 0.46 114.58 124.57 1j8h h GLU 52 Ca -0.36 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1j8h h GLU 52 Cb 1.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1j8h h GLU 52 CO 0.64 0.00 0.01 1.25 -1.18 0.00 0.00 179.01 179.74 1j8h h LEU 53 N 0.00 0.03 -1.05 1.64 5.85 -1.96 -2.55 115.31 117.28 1j8h h LEU 53 Ca 0.32 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1j8h h LEU 53 Cb 1.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1j8h h LEU 53 CO -0.00 0.03 -0.02 0.61 -0.34 0.00 0.00 178.44 178.72 1j8h n GLY 54 N -1.53 0.08 0.24 3.75 0.00 0.15 -4.43 105.19 103.45 1j8h n GLY 54 Ca -0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 1j8h n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1j8h h ARG 55 N 2.55 0.48 -0.64 1.61 2.43 -1.55 -2.47 114.38 116.80 1j8h h ARG 55 Ca 0.00 -0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1j8h h ARG 55 Cb 0.56 -0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 29.89 1j8h h ARG 55 CO 0.00 0.32 0.06 -1.35 -1.51 0.00 0.00 179.97 177.49 1j8h h PRO 56 N 0.50 0.16 -0.33 0.20 0.11 -1.82 -1.46 132.00 129.36 1j8h h PRO 56 Ca 0.29 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.28 1j8h h PRO 56 Cb 0.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1j8h h PRO 56 CO -0.25 0.11 -0.26 -0.44 -0.21 0.00 0.00 178.00 176.95 1j8h h ASP 57 N 0.17 0.68 0.05 -2.05 3.32 -1.77 -1.67 116.42 115.16 1j8h h ASP 57 Ca 0.34 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1j8h h ASP 57 Cb 0.56 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1j8h h ASP 57 CO -0.51 0.91 -0.02 0.00 -1.72 0.00 0.00 179.24 177.90 1j8h h ALA 58 N 1.14 -0.07 -0.80 3.45 0.00 -0.88 -0.25 119.26 121.85 1j8h h ALA 58 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j8h h ALA 58 Cb 0.74 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1j8h h ALA 58 CO 0.06 -0.44 0.41 0.93 0.00 0.00 0.00 179.25 180.21 1j8h h GLU 59 N -0.27 1.13 0.58 0.00 5.08 -1.32 0.58 114.58 120.36 1j8h h GLU 59 Ca -0.01 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1j8h h GLU 59 Cb 0.24 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1j8h h GLU 59 CO 0.01 0.86 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.68 1j8h h TYR 60 N 1.12 -0.72 -0.58 4.33 3.20 -1.21 -2.69 116.97 120.41 1j8h h TYR 60 Ca 0.28 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1j8h h TYR 60 Cb 0.08 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1j8h h TYR 60 CO 0.01 -0.39 0.05 -1.49 -1.64 0.00 0.00 178.16 174.70 1j8h h TRP 61 N -1.01 1.03 0.00 -3.82 6.55 -1.02 -2.82 115.95 114.87 1j8h h TRP 61 Ca -0.08 -0.15 0.00 0.00 0.95 0.00 0.00 58.89 59.61 1j8h h TRP 61 Cb 0.66 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1j8h h TRP 61 CO 0.00 0.90 0.00 -0.91 -1.05 0.00 0.00 178.44 177.38 1j8h h ASN 62 N 0.90 0.00 -0.04 -3.49 2.35 -0.91 -2.42 115.58 111.98 1j8h h ASN 62 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1j8h h ASN 62 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1j8h h ASN 62 CO 0.02 0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.26 1j8h n SER 63 N -2.95 0.42 -4.05 5.81 3.41 -1.02 -4.61 113.62 110.63 1j8h n SER 63 Ca -0.01 -1.49 -0.32 0.00 -0.26 0.00 0.00 58.87 56.79 1j8h n SER 63 Cb 0.20 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 1j8h n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1j8h s GLN 64 N -1.95 1.74 0.24 4.33 -0.21 -0.91 -4.99 119.66 117.91 1j8h s GLN 64 Ca 0.29 -1.75 -0.06 0.00 0.02 0.00 0.00 55.36 53.87 1j8h s GLN 64 Cb 0.14 -3.20 0.46 0.00 1.00 0.00 0.00 33.01 31.40 1j8h s GLN 64 CO 0.23 -0.88 1.66 -0.22 -2.12 0.00 0.00 175.29 173.96 1j8h h LYS 65 N 7.72 0.18 -0.18 2.91 3.64 -1.86 0.22 116.57 129.20 1j8h h LYS 65 Ca -0.09 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1j8h h LYS 65 Cb 1.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1j8h h LYS 65 CO 0.53 0.12 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.29 1j8h h ASP 66 N 0.18 0.27 0.20 4.20 3.32 -1.95 -1.19 116.42 121.44 1j8h h ASP 66 Ca 0.42 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1j8h h ASP 66 Cb 0.73 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1j8h h ASP 66 CO -0.58 0.40 -0.10 0.25 -1.72 0.00 0.00 179.24 177.49 1j8h h LEU 67 N 0.27 -0.23 -1.48 1.55 6.46 -1.28 -2.53 115.31 118.07 1j8h h LEU 67 Ca 0.06 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.57 1j8h h LEU 67 Cb 0.35 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1j8h h LEU 67 CO 0.02 0.10 -0.01 -0.07 -0.62 0.00 0.00 178.44 177.86 1j8h h LEU 68 N -0.57 0.30 -0.39 2.25 3.38 -1.32 -2.65 115.31 116.32 1j8h h LEU 68 Ca -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1j8h h LEU 68 Cb 0.42 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1j8h h LEU 68 CO 0.04 0.36 0.20 -0.08 0.09 0.00 0.00 178.44 179.06 1j8h h GLU 69 N 0.32 0.55 -0.49 1.13 4.81 -1.10 0.66 114.58 120.46 1j8h h GLU 69 Ca 0.07 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1j8h h GLU 69 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1j8h h GLU 69 CO 0.01 0.47 0.08 0.37 -0.73 0.00 0.00 179.01 179.20 1j8h h GLN 70 N 0.49 0.81 -0.23 1.92 -0.00 -1.13 -2.77 115.11 114.20 1j8h h GLN 70 Ca 0.14 -0.22 -0.15 0.00 -0.00 0.00 0.00 58.65 58.42 1j8h h GLN 70 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 1j8h h GLN 70 CO -0.02 0.81 -0.46 0.87 0.00 0.00 0.00 178.83 180.03 1j8h h LYS 71 N 0.69 0.60 0.00 1.69 1.79 -1.31 -2.61 116.57 117.42 1j8h h LYS 71 Ca 0.15 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 1j8h h LYS 71 Cb 0.39 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1j8h h LYS 71 CO 0.01 0.93 -0.05 0.00 -1.08 0.00 0.00 179.45 179.26 1j8h h ARG 72 N 0.48 0.00 -0.71 3.15 3.08 -0.75 -1.88 114.38 117.75 1j8h h ARG 72 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j8h h ARG 72 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1j8h h ARG 72 CO 0.09 0.05 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 1j8h n ALA 73 N -2.18 2.38 0.08 0.04 0.00 -1.00 -4.44 120.51 115.39 1j8h n ALA 73 Ca -0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 53.44 52.09 1j8h n ALA 73 Cb 0.20 -0.89 0.18 0.00 0.00 0.00 0.00 19.45 18.93 1j8h n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j8h h ALA 74 N 4.14 0.99 -0.36 0.00 0.00 -1.14 -0.15 119.26 122.75 1j8h h ALA 74 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1j8h h ALA 74 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1j8h h ALA 74 CO 0.01 0.65 0.29 -0.39 0.00 0.00 0.00 179.25 179.80 1j8h h VAL 75 N 0.21 0.67 0.00 0.00 -1.51 -1.78 0.11 116.25 113.95 1j8h h VAL 75 Ca 0.01 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.24 1j8h h VAL 75 Cb 0.93 0.79 -0.04 0.00 -2.13 0.00 0.00 31.29 30.85 1j8h h VAL 75 CO 0.08 0.00 -1.68 0.47 -1.23 0.00 0.00 177.57 175.20 1j8h n ASP 76 N -4.19 1.92 0.00 4.19 8.00 -1.05 -1.47 116.55 123.96 1j8h n ASP 76 Ca 0.06 0.38 0.08 0.00 0.71 0.00 0.00 54.79 56.02 1j8h n ASP 76 Cb 0.46 -0.82 0.39 0.00 -0.02 0.00 0.00 41.12 41.13 1j8h n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1j8h n THR 77 N -4.38 0.71 0.00 -3.53 -2.24 -0.09 -3.36 114.28 101.39 1j8h n THR 77 Ca -0.34 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1j8h n THR 77 Cb 0.68 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1j8h n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j8h n TYR 78 N -1.44 0.00 0.05 4.78 9.36 0.31 -4.76 117.16 125.47 1j8h n TYR 78 Ca 0.05 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.18 1j8h n TYR 78 Cb 0.18 0.14 -0.06 0.00 -0.63 0.00 0.00 39.34 38.98 1j8h n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1j8h h ARG 80 N -0.41 0.85 -0.34 0.00 3.08 -1.39 0.06 114.38 116.24 1j8h h ARG 80 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1j8h h ARG 80 Cb 0.42 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1j8h h ARG 80 CO -0.17 0.56 0.02 1.25 -1.07 0.00 0.00 179.97 180.56 1j8h h HIS 81 N 0.88 0.63 -0.28 3.04 2.76 -1.49 -2.70 115.15 117.99 1j8h h HIS 81 Ca 0.39 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 58.33 1j8h h HIS 81 Cb 0.35 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1j8h h HIS 81 CO -0.00 0.68 -0.35 -0.91 -1.30 0.00 0.00 177.93 176.05 1j8h h ASN 82 N 0.40 0.64 -0.26 3.26 2.35 -0.20 -2.50 115.58 119.27 1j8h h ASN 82 Ca 0.10 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1j8h h ASN 82 Cb 0.42 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1j8h h ASN 82 CO 0.01 0.94 0.08 0.22 -1.65 0.00 0.00 177.43 177.03 1j8h h TYR 83 N 0.52 0.14 -0.28 1.19 5.03 -0.97 -1.82 116.97 120.77 1j8h h TYR 83 Ca 0.05 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1j8h h TYR 83 Cb 0.85 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 1j8h h TYR 83 CO 0.04 0.06 0.09 0.78 -1.32 0.00 0.00 178.16 177.81 1j8h h GLY 84 N 0.19 0.43 0.98 1.82 0.00 -1.35 -1.94 103.07 103.19 1j8h h GLY 84 Ca 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1j8h h GLY 84 CO -0.13 0.19 0.27 -2.08 0.00 0.00 0.00 176.54 174.79 1j8h h VAL 85 N 0.40 1.19 -0.26 4.60 2.07 -0.87 -3.30 116.25 120.07 1j8h h VAL 85 Ca 0.10 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1j8h h VAL 85 Cb 0.12 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1j8h h VAL 85 CO -0.01 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1j8h n GLY 86 N -0.97 2.35 0.32 2.17 0.00 -1.11 -4.72 105.19 103.24 1j8h n GLY 86 Ca 0.03 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1j8h n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j8h h GLU 87 N 1.79 0.46 -0.11 1.61 4.81 -1.44 -1.59 114.58 120.12 1j8h h GLU 87 Ca 0.00 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1j8h h GLU 87 Cb 0.66 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1j8h h GLU 87 CO 0.00 0.31 -0.13 0.66 -0.73 0.00 0.00 179.01 179.12 1j8h h SER 88 N 0.48 0.16 -0.23 1.04 4.64 -1.84 -2.27 113.55 115.52 1j8h h SER 88 Ca 0.57 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1j8h h SER 88 Cb 1.06 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1j8h h SER 88 CO -0.49 0.31 0.00 2.22 -0.87 0.00 0.00 176.83 178.00 1j8h n PHE 89 N -4.30 0.31 0.00 4.77 1.16 -0.69 -4.27 117.46 114.44 1j8h n PHE 89 Ca -0.01 -0.34 0.00 0.00 -1.87 0.00 0.00 57.45 55.22 1j8h n PHE 89 Cb 0.25 -0.02 0.00 0.00 -1.61 0.00 0.00 39.48 38.10 1j8h n PHE 89 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 1j8h n THR 90 N 0.51 0.00 0.25 1.97 -2.24 -0.68 -4.39 114.28 109.69 1j8h n THR 90 Ca 0.10 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1j8h n THR 90 Cb 0.37 -0.73 0.60 0.00 -2.10 0.00 0.00 70.33 68.47 1j8h n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1j8h h VAL 91 N 0.00 1.03 -0.42 2.28 2.07 -1.71 -2.41 116.25 117.07 1j8h h VAL 91 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1j8h h VAL 91 Cb 0.00 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1j8h h VAL 91 CO 0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1j8h n GLN 92 N -4.40 2.46 -1.87 1.57 6.02 -0.87 -4.99 117.38 115.30 1j8h n GLN 92 Ca -0.03 -2.19 -0.42 0.00 -0.01 0.00 0.00 57.00 54.36 1j8h n GLN 92 Cb 0.16 -1.42 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 1j8h n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1j8h s ARG 93 N -1.14 4.18 -0.04 -1.09 3.52 -0.91 -4.92 118.95 118.56 1j8h s ARG 93 Ca 0.33 2.46 -0.02 0.00 -0.13 0.00 0.00 55.73 58.38 1j8h s ARG 93 Cb 0.19 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1j8h s ARG 93 CO 0.25 -0.57 0.05 1.03 -0.81 0.00 0.00 175.30 175.25 1j8h s ARG 94 N -0.02 -0.07 -0.05 5.12 1.81 -1.26 -4.14 118.95 120.34 1j8h s ARG 94 Ca 0.64 0.34 -0.00 0.00 -1.72 0.00 0.00 55.73 54.99 1j8h s ARG 94 Cb -0.45 -0.45 0.03 0.00 -0.45 0.00 0.00 34.95 33.62 1j8h s ARG 94 CO 0.42 -0.29 -0.01 0.08 -0.68 0.00 0.00 175.30 174.82 1j8h s VAL 95 N 1.93 0.30 0.45 3.52 1.01 -0.39 -4.97 120.40 122.24 1j8h s VAL 95 Ca 0.02 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.83 1j8h s VAL 95 Cb -0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.76 1j8h s VAL 95 CO -0.03 0.20 1.15 -1.22 0.00 0.00 0.00 175.10 175.19 1j8h n TYR 96 N 4.49 1.65 -2.73 5.22 0.53 -1.26 -2.29 117.16 122.76 1j8h n TYR 96 Ca -0.19 0.51 -0.42 0.00 -1.02 0.00 0.00 57.90 56.79 1j8h n TYR 96 Cb 0.50 -2.30 -0.03 0.00 -1.03 0.00 0.00 39.34 36.49 1j8h n TYR 96 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 1j8h s PRO 97 N -2.23 4.57 -0.14 -0.72 0.02 -1.26 -3.92 135.00 131.31 1j8h s PRO 97 Ca 0.64 1.39 -0.17 0.00 0.02 0.00 0.00 61.00 62.88 1j8h s PRO 97 Cb -0.51 -3.45 -0.04 0.00 0.02 0.00 0.00 34.50 30.52 1j8h s PRO 97 CO 0.56 -0.00 0.45 -2.00 -0.33 0.00 0.00 177.00 175.68 1j8h s GLU 98 N 0.84 4.30 -0.07 5.54 2.56 0.16 -4.88 118.70 127.15 1j8h s GLU 98 Ca 0.50 0.38 0.05 0.00 0.00 0.00 0.00 54.97 55.90 1j8h s GLU 98 Cb -0.21 -3.46 -0.02 0.00 2.00 0.00 0.00 34.13 32.45 1j8h s GLU 98 CO 0.28 0.12 -0.20 0.08 -0.56 0.00 0.00 175.26 174.97 1j8h s VAL 99 N 0.77 2.47 -0.04 3.70 1.01 -1.26 -0.24 120.40 126.81 1j8h s VAL 99 Ca 0.24 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 1j8h s VAL 99 Cb -0.15 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.33 1j8h s VAL 99 CO 0.09 0.57 0.08 -0.89 0.00 0.00 0.00 175.10 174.95 1j8h s THR 100 N -0.22 -0.06 -0.17 3.92 2.01 -0.67 -5.01 115.64 115.43 1j8h s THR 100 Ca -0.01 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 1j8h s THR 100 Cb -0.13 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.22 1j8h s THR 100 CO 0.03 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.25 1j8h s VAL 101 N 1.18 3.01 0.04 3.82 1.01 -1.26 -0.73 120.40 127.47 1j8h s VAL 101 Ca -0.08 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1j8h s VAL 101 Cb -0.12 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1j8h s VAL 101 CO -0.04 0.49 0.11 -0.72 0.00 0.00 0.00 175.10 174.94 1j8h s TYR 102 N 0.88 0.18 0.59 5.22 1.13 -0.59 -4.99 117.35 119.78 1j8h s TYR 102 Ca -0.03 -0.47 -0.13 0.00 -1.41 0.00 0.00 57.07 55.03 1j8h s TYR 102 Cb -0.15 -0.13 -0.05 0.00 -1.10 0.00 0.00 41.96 40.54 1j8h s TYR 102 CO -0.00 -0.38 1.02 -2.14 -2.51 0.00 0.00 175.55 171.54 1j8h s PRO 103 N -2.62 3.62 -0.01 -3.49 0.02 -1.26 -0.26 135.00 131.01 1j8h s PRO 103 Ca -0.05 0.86 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1j8h s PRO 103 Cb -0.01 -2.08 0.01 0.00 0.02 0.00 0.00 34.50 32.43 1j8h s PRO 103 CO -0.05 -0.55 0.28 0.00 -0.33 0.00 0.00 177.00 176.35 1j8h n ALA 104 N -2.39 -0.26 -2.65 -1.55 0.00 -1.26 -4.84 120.51 107.56 1j8h n ALA 104 Ca 0.06 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 1j8h n ALA 104 Cb 0.54 -0.29 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 1j8h n ALA 104 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j8h s ASN 113 N -0.24 7.12 0.19 0.00 2.47 -1.26 -4.91 114.94 118.30 1j8h s ASN 113 Ca 0.00 1.35 0.08 0.00 0.42 0.00 0.00 52.86 54.71 1j8h s ASN 113 Cb 0.01 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.30 1j8h s ASN 113 CO -0.00 -0.12 -0.16 -0.76 -3.72 0.00 0.00 177.10 172.34 1j8h s LEU 114 N 0.67 2.51 -0.22 3.21 1.02 -1.26 -3.34 118.68 121.26 1j8h s LEU 114 Ca 0.41 -0.95 -0.03 0.00 0.02 0.00 0.00 54.13 53.58 1j8h s LEU 114 Cb -0.19 -0.72 0.00 0.00 0.02 0.00 0.00 46.19 45.31 1j8h s LEU 114 CO 0.21 -0.12 -0.06 -0.76 0.02 0.00 0.00 176.35 175.64 1j8h s LEU 115 N -3.03 2.89 -0.08 1.79 1.43 -0.81 -4.33 118.68 116.53 1j8h s LEU 115 Ca 0.19 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1j8h s LEU 115 Cb -0.03 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1j8h s LEU 115 CO 0.06 -0.05 -0.03 -0.69 0.23 0.00 0.00 176.35 175.88 1j8h s VAL 116 N 1.42 4.03 -0.31 -1.59 1.01 0.64 -0.52 120.40 125.09 1j8h s VAL 116 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1j8h s VAL 116 Cb -0.15 -2.68 0.08 0.00 0.00 0.00 0.00 36.38 33.63 1j8h s VAL 116 CO -0.05 0.59 -0.00 0.00 0.00 0.00 0.00 175.10 175.64 1j8h s SER 118 N 1.09 6.27 -0.31 0.00 0.15 0.09 -1.28 113.70 119.70 1j8h s SER 118 Ca 0.01 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 56.90 1j8h s SER 118 Cb -0.20 -2.19 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1j8h s SER 118 CO -0.06 -0.10 0.08 -0.69 1.20 0.00 0.00 173.24 173.67 1j8h s VAL 119 N 1.67 3.82 0.20 4.45 1.01 0.52 -1.67 120.40 130.40 1j8h s VAL 119 Ca 0.14 -0.90 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1j8h s VAL 119 Cb -0.15 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1j8h s VAL 119 CO 0.09 -0.02 -0.18 0.20 0.00 0.00 0.00 175.10 175.18 1j8h s ASN 120 N 1.45 2.94 -1.72 3.32 0.01 0.67 -1.06 114.94 120.56 1j8h s ASN 120 Ca 0.01 -0.94 0.00 0.00 -0.71 0.00 0.00 52.86 51.22 1j8h s ASN 120 Cb -0.18 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.28 1j8h s ASN 120 CO 0.02 -0.03 0.00 0.61 -1.51 0.00 0.00 177.10 176.19 1j8h n GLY 121 N -0.08 1.55 3.94 0.66 0.00 -0.77 0.37 105.19 110.86 1j8h n GLY 121 Ca -0.10 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1j8h n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1j8h s PHE 122 N -2.61 3.46 -0.28 1.61 -0.71 -1.19 -4.58 117.98 113.67 1j8h s PHE 122 Ca 0.00 0.35 -0.22 0.00 -1.04 0.00 0.00 56.93 56.02 1j8h s PHE 122 Cb 0.00 -1.98 0.08 0.00 -1.21 0.00 0.00 43.02 39.92 1j8h s PHE 122 CO 0.00 0.03 0.76 -0.47 -1.34 0.00 0.00 175.22 174.20 1j8h s TYR 123 N -2.37 -0.82 0.00 3.49 5.04 -0.97 -0.04 117.35 121.68 1j8h s TYR 123 Ca 0.42 1.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.90 1j8h s TYR 123 Cb -0.10 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.60 1j8h s TYR 123 CO 0.37 -0.40 0.00 -2.30 -1.34 0.00 0.00 175.55 171.88 1j8h n PRO 124 N 3.13 -1.36 0.03 4.97 -0.02 -1.26 -1.27 135.00 139.21 1j8h n PRO 124 Ca -0.16 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.14 1j8h n PRO 124 Cb 0.56 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.90 1j8h n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1j8h h GLY 125 N -0.74 0.26 -4.77 -1.23 0.00 -1.99 -3.46 103.07 91.15 1j8h h GLY 125 Ca 0.00 -0.67 -0.53 0.00 0.00 0.00 0.00 47.33 46.13 1j8h h GLY 125 CO 0.00 0.58 0.99 -1.14 0.00 0.00 0.00 176.54 176.97 1j8h n SER 126 N -3.40 3.85 -3.61 0.19 3.41 -1.26 -4.96 113.62 107.83 1j8h n SER 126 Ca -0.24 1.06 -0.11 0.00 -0.26 0.00 0.00 58.87 59.31 1j8h n SER 126 Cb 1.05 -1.55 -0.05 0.00 -0.26 0.00 0.00 64.21 63.41 1j8h n SER 126 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1j8h s ILE 127 N 1.31 0.06 -0.14 -1.33 2.07 -1.26 -4.61 121.20 117.29 1j8h s ILE 127 Ca 0.77 -0.46 -0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1j8h s ILE 127 Cb -0.53 -1.09 0.03 0.00 0.13 0.00 0.00 42.46 41.00 1j8h s ILE 127 CO 0.34 -0.25 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.42 1j8h s GLU 128 N -3.38 1.71 -0.19 3.50 2.02 -0.31 -4.99 118.70 117.05 1j8h s GLU 128 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.58 1j8h s GLU 128 Cb 0.01 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.41 1j8h s GLU 128 CO -0.09 -0.31 -0.18 0.08 0.02 0.00 0.00 175.26 174.78 1j8h s VAL 129 N 1.62 2.12 0.06 2.63 1.01 -1.26 0.09 120.40 126.68 1j8h s VAL 129 Ca 0.04 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.07 1j8h s VAL 129 Cb -0.13 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1j8h s VAL 129 CO -0.09 0.46 -0.20 -0.13 0.00 0.00 0.00 175.10 175.14 1j8h s ARG 130 N 1.27 1.25 -0.13 2.72 0.52 0.47 -4.97 118.95 120.07 1j8h s ARG 130 Ca 0.03 -1.00 -0.05 0.00 -0.52 0.00 0.00 55.73 54.19 1j8h s ARG 130 Cb -0.14 -1.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.89 1j8h s ARG 130 CO -0.12 0.35 0.04 -1.58 0.02 0.00 0.00 175.30 174.01 1j8h s TRP 131 N -0.94 3.26 0.12 -0.53 0.52 -1.26 0.08 118.94 120.19 1j8h s TRP 131 Ca 0.06 0.16 0.07 0.00 0.02 0.00 0.00 56.10 56.42 1j8h s TRP 131 Cb -0.09 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1j8h s TRP 131 CO 0.03 0.36 -0.17 -0.06 0.02 0.00 0.00 176.95 177.12 1j8h s PHE 132 N -0.34 1.63 -0.13 -1.98 0.40 0.11 -0.60 117.98 117.07 1j8h s PHE 132 Ca 0.08 -0.47 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1j8h s PHE 132 Cb -0.12 -0.86 0.05 0.00 0.51 0.00 0.00 43.02 42.60 1j8h s PHE 132 CO 0.02 0.21 0.06 0.50 0.70 0.00 0.00 175.22 176.70 1j8h s ARG 133 N -2.35 0.25 -1.43 0.44 3.52 0.12 -0.55 118.95 118.94 1j8h s ARG 133 Ca 0.09 -0.02 -0.07 0.00 -0.13 0.00 0.00 55.73 55.60 1j8h s ARG 133 Cb -0.07 -1.45 0.04 0.00 -1.56 0.00 0.00 34.95 31.91 1j8h s ARG 133 CO 0.04 -0.53 0.79 0.09 -0.81 0.00 0.00 175.30 174.89 1j8h n ASN 134 N 5.21 -2.69 0.00 -2.12 3.02 -0.38 -1.10 115.26 117.21 1j8h n ASN 134 Ca -0.07 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1j8h n ASN 134 Cb 0.49 -3.83 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 1j8h n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j8h n GLY 135 N -1.66 2.88 3.59 7.41 0.00 -1.26 -5.00 105.19 111.14 1j8h n GLY 135 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1j8h n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j8h s GLN 136 N 0.00 3.89 0.25 1.61 -0.21 -0.26 -5.07 119.66 119.87 1j8h s GLN 136 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 1j8h s GLN 136 Cb 0.00 -3.22 -0.10 0.00 1.00 0.00 0.00 33.01 30.69 1j8h s GLN 136 CO 0.00 0.17 1.45 -2.00 -2.12 0.00 0.00 175.29 172.80 1j8h s GLU 137 N 0.63 4.26 -0.49 2.91 2.12 -1.26 -0.71 118.70 126.16 1j8h s GLU 137 Ca 0.03 2.32 -0.18 0.00 0.36 0.00 0.00 54.97 57.50 1j8h s GLU 137 Cb -0.13 -3.11 0.06 0.00 0.26 0.00 0.00 34.13 31.21 1j8h s GLU 137 CO 0.02 -0.44 0.53 -1.21 -0.54 0.00 0.00 175.26 173.61 1j8h s GLU 138 N -0.29 3.07 0.00 4.30 0.41 0.23 -4.89 118.70 121.53 1j8h s GLU 138 Ca 0.60 -1.06 0.22 0.00 -0.41 0.00 0.00 54.97 54.32 1j8h s GLU 138 Cb -0.42 -4.10 -0.13 0.00 -1.78 0.00 0.00 34.13 27.70 1j8h s GLU 138 CO 0.43 -1.13 0.99 1.17 -0.49 0.00 0.00 175.26 176.22 1j8h n LYS 139 N 5.78 0.51 -4.88 1.61 3.00 -1.26 -4.53 118.16 118.38 1j8h n LYS 139 Ca -0.09 -0.42 -0.31 0.00 -0.00 0.00 0.00 58.31 57.49 1j8h n LYS 139 Cb 0.45 -1.49 -0.14 0.00 0.00 0.00 0.00 35.03 33.85 1j8h n LYS 139 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1j8h s THR 140 N -2.78 2.53 0.00 3.15 -4.23 -1.26 -4.66 115.64 108.39 1j8h s THR 140 Ca 0.12 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1j8h s THR 140 Cb 0.17 -2.00 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1j8h s THR 140 CO 0.74 0.43 0.00 0.61 -0.54 0.00 0.00 174.62 175.87 1j8h n GLY 141 N 1.90 0.61 3.18 3.99 0.00 -1.26 -4.89 105.19 108.72 1j8h n GLY 141 Ca -0.16 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1j8h n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j8h s VAL 142 N -2.38 2.50 -0.18 1.61 1.01 -1.26 -0.70 120.40 121.00 1j8h s VAL 142 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1j8h s VAL 142 Cb 0.00 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1j8h s VAL 142 CO 0.00 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.71 1j8h s VAL 143 N 1.35 2.16 -0.08 2.92 1.01 0.81 -4.96 120.40 123.62 1j8h s VAL 143 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1j8h s VAL 143 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1j8h s VAL 143 CO -0.10 0.53 -0.02 -0.55 0.00 0.00 0.00 175.10 174.97 1j8h s SER 144 N 1.23 5.07 0.00 3.32 0.15 -1.26 0.23 113.70 122.44 1j8h s SER 144 Ca 0.03 0.10 0.26 0.00 0.70 0.00 0.00 55.95 57.04 1j8h s SER 144 Cb -0.13 -1.39 1.13 0.00 -1.71 0.00 0.00 66.02 63.92 1j8h s SER 144 CO -0.11 0.37 1.84 1.07 1.20 0.00 0.00 173.24 177.62 1j8h n THR 145 N 2.18 0.20 0.00 6.45 5.66 -0.48 -5.01 114.28 123.27 1j8h n THR 145 Ca -0.18 0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1j8h n THR 145 Cb 0.53 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.71 1j8h n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j8h n GLY 146 N 1.18 -0.19 3.69 1.09 0.00 -1.26 -4.88 105.19 104.82 1j8h n GLY 146 Ca 0.07 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1j8h n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j8h s LEU 147 N -1.15 4.28 -0.16 0.99 2.96 -1.26 -4.45 118.68 119.89 1j8h s LEU 147 Ca 0.00 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 55.63 1j8h s LEU 147 Cb 0.00 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 1j8h s LEU 147 CO 0.00 -0.53 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.79 1j8h s ILE 148 N 2.04 3.36 -0.15 6.68 1.01 0.44 -4.98 121.20 129.60 1j8h s ILE 148 Ca 0.54 -0.54 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 1j8h s ILE 148 Cb -0.23 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1j8h s ILE 148 CO 0.21 0.49 0.51 -1.58 0.00 0.00 0.00 174.94 174.58 1j8h s GLN 149 N 0.63 4.29 0.00 2.79 0.74 -1.26 -1.16 119.66 125.69 1j8h s GLN 149 Ca -0.05 0.47 0.27 0.00 0.05 0.00 0.00 55.36 56.10 1j8h s GLN 149 Cb -0.15 -3.49 0.88 0.00 1.10 0.00 0.00 33.01 31.35 1j8h s GLN 149 CO 0.03 0.03 1.66 0.09 -0.55 0.00 0.00 175.29 176.54 1j8h n ASN 150 N 4.13 0.53 -0.16 6.67 5.03 -0.92 -4.94 115.26 125.60 1j8h n ASN 150 Ca -0.06 -0.37 -0.02 0.00 0.87 0.00 0.00 54.58 55.00 1j8h n ASN 150 Cb 0.51 0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 39.28 1j8h n ASN 150 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j8h n GLY 151 N 1.40 0.53 1.93 7.41 0.00 -1.26 -4.88 105.19 110.32 1j8h n GLY 151 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1j8h n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j8h n ASP 152 N 0.24 1.58 -2.83 1.61 5.75 -1.26 -4.98 116.55 116.65 1j8h n ASP 152 Ca -0.02 -2.33 -0.18 0.00 -0.01 0.00 0.00 54.79 52.24 1j8h n ASP 152 Cb 0.15 -0.39 0.06 0.00 -1.03 0.00 0.00 41.12 39.91 1j8h n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1j8h n TRP 153 N -0.15 -2.15 -3.70 2.11 7.02 -1.26 -5.02 117.44 114.29 1j8h n TRP 153 Ca 0.11 0.74 -0.14 0.00 -1.02 0.00 0.00 57.50 57.18 1j8h n TRP 153 Cb 0.96 -4.09 -0.09 0.00 -2.42 0.00 0.00 31.31 25.68 1j8h n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1j8h s THR 154 N -3.22 0.02 0.49 -0.99 -4.23 -1.26 -4.72 115.64 101.73 1j8h s THR 154 Ca 0.43 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1j8h s THR 154 Cb -0.19 -0.69 0.02 0.00 1.34 0.00 0.00 72.50 72.99 1j8h s THR 154 CO 0.53 -0.09 0.20 0.49 -0.54 0.00 0.00 174.62 175.20 1j8h n PHE 155 N 1.97 0.20 -3.51 3.99 3.01 0.94 -2.17 117.46 121.89 1j8h n PHE 155 Ca -0.17 -2.25 -0.16 0.00 1.01 0.00 0.00 57.45 55.88 1j8h n PHE 155 Cb 0.57 -0.37 -0.05 0.00 -0.01 0.00 0.00 39.48 39.62 1j8h n PHE 155 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1j8h s GLN 156 N -3.91 1.03 -0.10 -1.08 -2.07 -0.31 -1.84 119.66 111.38 1j8h s GLN 156 Ca 0.15 0.10 -0.23 0.00 -1.82 0.00 0.00 55.36 53.56 1j8h s GLN 156 Cb -0.01 0.48 0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1j8h s GLN 156 CO 0.09 -0.35 0.55 -0.08 -1.32 0.00 0.00 175.29 174.18 1j8h s THR 157 N -1.68 0.01 -0.16 3.63 -1.32 -0.22 -0.42 115.64 115.48 1j8h s THR 157 Ca -0.07 -0.12 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 1j8h s THR 157 Cb -0.00 -0.83 0.02 0.00 -1.51 0.00 0.00 72.50 70.17 1j8h s THR 157 CO 0.04 -0.07 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.44 1j8h s LEU 158 N -0.72 1.98 -0.30 9.08 1.02 -1.26 -0.36 118.68 128.13 1j8h s LEU 158 Ca -0.08 -0.59 -0.01 0.00 0.02 0.00 0.00 54.13 53.47 1j8h s LEU 158 Cb -0.03 -1.37 0.05 0.00 0.02 0.00 0.00 46.19 44.86 1j8h s LEU 158 CO 0.05 -0.00 -0.01 -0.69 0.02 0.00 0.00 176.35 175.72 1j8h s VAL 159 N 1.26 2.93 0.06 -1.59 1.01 -0.41 -1.38 120.40 122.29 1j8h s VAL 159 Ca 0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 1j8h s VAL 159 Cb -0.13 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 1j8h s VAL 159 CO -0.10 -0.11 0.27 -0.04 0.00 0.00 0.00 175.10 175.13 1j8h s MET 160 N 1.24 3.54 -0.20 2.72 -1.94 0.13 -1.82 119.30 122.97 1j8h s MET 160 Ca -0.05 -0.22 -0.01 0.00 -1.71 0.00 0.00 55.69 53.70 1j8h s MET 160 Cb -0.20 -3.00 0.01 0.00 2.01 0.00 0.00 34.83 33.65 1j8h s MET 160 CO -0.01 0.58 -0.14 -1.17 -0.01 0.00 0.00 175.02 174.27 1j8h s LEU 161 N -2.28 2.43 -0.77 -0.03 2.96 0.32 -0.13 118.68 121.18 1j8h s LEU 161 Ca 0.34 -0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 53.42 1j8h s LEU 161 Cb -0.13 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.04 1j8h s LEU 161 CO 0.23 -0.01 1.22 -1.61 -1.32 0.00 0.00 176.35 174.86 1j8h s GLU 162 N 1.35 3.25 0.24 1.98 2.02 0.12 -1.92 118.70 125.74 1j8h s GLU 162 Ca 0.05 -0.57 -0.13 0.00 0.02 0.00 0.00 54.97 54.34 1j8h s GLU 162 Cb -0.14 -4.39 -0.00 0.00 0.10 0.00 0.00 34.13 29.70 1j8h s GLU 162 CO -0.09 -2.07 0.48 0.95 0.02 0.00 0.00 175.26 174.55 1j8h s THR 163 N 5.11 0.00 -0.44 3.63 -4.23 -1.21 -4.94 115.64 113.56 1j8h s THR 163 Ca 0.33 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1j8h s THR 163 Cb -0.09 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.72 1j8h s THR 163 CO 0.09 -0.02 0.27 -0.69 -0.54 0.00 0.00 174.62 173.74 1j8h s VAL 164 N -4.00 3.71 0.16 2.29 1.01 -1.26 -4.24 120.40 118.06 1j8h s VAL 164 Ca 0.21 -1.96 -0.33 0.00 0.00 0.00 0.00 61.98 59.90 1j8h s VAL 164 Cb -0.01 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.72 1j8h s VAL 164 CO 0.08 -0.74 1.08 -2.65 0.00 0.00 0.00 175.10 172.87 1j8h n PRO 165 N 4.70 0.90 -4.11 2.72 -0.02 -1.26 -4.99 135.00 132.94 1j8h n PRO 165 Ca -0.04 0.32 -0.09 0.00 -2.02 0.00 0.00 63.50 61.67 1j8h n PRO 165 Cb 0.41 -1.76 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 1j8h n PRO 165 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1j8h s ARG 166 N -0.43 0.67 0.49 -0.52 0.52 -1.26 -5.03 118.95 113.39 1j8h s ARG 166 Ca 0.74 -1.21 -0.22 0.00 -0.52 0.00 0.00 55.73 54.52 1j8h s ARG 166 Cb -0.91 0.04 -0.07 0.00 0.52 0.00 0.00 34.95 34.54 1j8h s ARG 166 CO 0.53 -0.07 1.16 -1.12 0.02 0.00 0.00 175.30 175.83 1j8h s SER 167 N -2.85 5.97 0.00 0.23 0.01 -1.26 -2.67 113.70 113.13 1j8h s SER 167 Ca 0.07 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.62 1j8h s SER 167 Cb 0.06 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1j8h s SER 167 CO -0.07 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1j8h n GLY 168 N 0.38 3.06 3.75 3.44 0.00 -1.26 -4.99 105.19 109.57 1j8h n GLY 168 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1j8h n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j8h s GLU 169 N -0.18 4.53 -0.15 1.61 2.02 -1.09 -5.06 118.70 120.37 1j8h s GLU 169 Ca 0.00 1.12 -0.02 0.00 0.02 0.00 0.00 54.97 56.09 1j8h s GLU 169 Cb 0.00 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 1j8h s GLU 169 CO 0.00 0.36 -0.09 0.08 0.02 0.00 0.00 175.26 175.63 1j8h s VAL 170 N -0.38 3.27 -0.09 2.63 1.01 -1.26 -4.31 120.40 121.26 1j8h s VAL 170 Ca 0.38 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1j8h s VAL 170 Cb -0.21 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1j8h s VAL 170 CO 0.24 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.32 1j8h s TYR 171 N 0.60 2.60 -0.03 5.22 2.02 -0.72 -1.24 117.35 125.79 1j8h s TYR 171 Ca -0.06 -0.83 0.03 0.00 -0.37 0.00 0.00 57.07 55.84 1j8h s TYR 171 Cb -0.15 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 1j8h s TYR 171 CO 0.03 -0.29 -0.12 0.99 -1.57 0.00 0.00 175.55 174.59 1j8h s THR 172 N 0.17 1.03 -0.20 -0.71 2.01 0.28 0.25 115.64 118.47 1j8h s THR 172 Ca -0.12 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1j8h s THR 172 Cb -0.16 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1j8h s THR 172 CO 0.07 0.31 0.10 0.00 -0.69 0.00 0.00 174.62 174.40 1j8h s GLN 174 N 0.52 3.00 -0.15 0.00 0.74 0.11 -1.74 119.66 122.14 1j8h s GLN 174 Ca 0.05 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 1j8h s GLN 174 Cb -0.12 -2.65 -0.02 0.00 1.10 0.00 0.00 33.01 31.32 1j8h s GLN 174 CO 0.00 -0.23 -0.10 0.08 -0.55 0.00 0.00 175.29 174.49 1j8h s VAL 175 N 1.30 3.25 -0.11 1.34 1.01 0.65 -0.40 120.40 127.44 1j8h s VAL 175 Ca 0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1j8h s VAL 175 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 1j8h s VAL 175 CO -0.11 0.50 -0.18 -1.61 0.00 0.00 0.00 175.10 173.70 1j8h s GLU 176 N 0.53 3.21 -0.04 2.72 2.02 0.11 -1.38 118.70 125.88 1j8h s GLU 176 Ca -0.07 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 53.95 1j8h s GLU 176 Cb -0.15 -2.47 0.04 0.00 0.10 0.00 0.00 34.13 31.64 1j8h s GLU 176 CO 0.04 0.21 0.42 -1.58 0.02 0.00 0.00 175.26 174.36 1j8h s HIS 177 N 0.33 -0.34 0.59 1.61 2.46 -1.26 -1.16 115.29 117.51 1j8h s HIS 177 Ca -0.14 0.58 0.29 0.00 0.47 0.00 0.00 55.06 56.25 1j8h s HIS 177 Cb -0.17 0.19 1.56 0.00 -0.13 0.00 0.00 32.58 34.04 1j8h s HIS 177 CO 0.07 -0.44 2.00 -1.35 -2.47 0.00 0.00 174.74 172.56 1j8h h PRO 178 N 3.75 0.00 0.00 2.88 0.11 -1.94 -0.63 132.00 136.17 1j8h h PRO 178 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1j8h h PRO 178 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1j8h h PRO 178 CO 0.38 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.83 1j8h h SER 179 N 0.00 0.00 -3.19 -2.05 4.64 -1.88 -3.44 113.55 107.63 1j8h h SER 179 Ca 0.15 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.82 1j8h h SER 179 Cb 0.81 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.76 1j8h h SER 179 CO -0.00 0.00 -0.58 0.68 -0.87 0.00 0.00 176.83 176.06 1j8h s VAL 180 N -3.37 4.68 0.22 0.95 -7.23 -0.25 -4.88 120.40 110.52 1j8h s VAL 180 Ca 0.05 -0.09 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 1j8h s VAL 180 Cb 0.08 -3.04 0.08 0.00 0.56 0.00 0.00 36.38 34.05 1j8h s VAL 180 CO 0.59 0.54 1.68 0.71 -0.31 0.00 0.00 175.10 178.31 1j8h h THR 181 N 4.50 1.26 -4.05 5.32 1.35 -1.86 -3.44 112.91 115.99 1j8h h THR 181 Ca -0.44 -1.15 -0.16 0.00 -0.55 0.00 0.00 66.41 64.11 1j8h h THR 181 Cb 1.19 0.92 -0.19 0.00 -1.73 0.00 0.00 68.15 68.34 1j8h h THR 181 CO 0.62 0.41 -0.69 -0.94 -0.25 0.00 0.00 175.52 174.67 1j8h s SER 182 N -6.64 0.31 0.17 5.36 1.04 -1.26 -5.13 113.70 107.55 1j8h s SER 182 Ca -0.10 -0.64 -0.30 0.00 0.48 0.00 0.00 55.95 55.39 1j8h s SER 182 Cb 0.14 0.13 -0.17 0.00 0.10 0.00 0.00 66.02 66.21 1j8h s SER 182 CO 0.84 -0.39 0.60 -2.65 0.98 0.00 0.00 173.24 172.62 1j8h n PRO 183 N 1.18 0.01 -3.85 4.02 -0.02 -1.26 -4.95 135.00 130.12 1j8h n PRO 183 Ca -0.21 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 60.92 1j8h n PRO 183 Cb 0.57 -1.07 -0.09 0.00 -0.02 0.00 0.00 33.50 32.88 1j8h n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1j8h s LEU 184 N 2.58 3.98 0.04 2.45 0.20 -0.48 -4.95 118.68 122.50 1j8h s LEU 184 Ca 0.68 0.13 0.06 0.00 0.69 0.00 0.00 54.13 55.68 1j8h s LEU 184 Cb -0.97 -2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1j8h s LEU 184 CO 0.56 0.15 -0.17 0.42 -0.29 0.00 0.00 176.35 177.03 1j8h s THR 185 N 0.50 1.35 -0.05 3.68 -4.23 -1.26 -0.26 115.64 115.37 1j8h s THR 185 Ca 0.05 -1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 59.49 1j8h s THR 185 Cb -0.12 -1.20 0.03 0.00 1.34 0.00 0.00 72.50 72.55 1j8h s THR 185 CO 0.00 0.11 0.04 -0.69 -0.54 0.00 0.00 174.62 173.54 1j8h s VAL 186 N -0.79 0.10 0.07 2.29 1.01 -0.71 -4.98 120.40 117.39 1j8h s VAL 186 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1j8h s VAL 186 Cb -0.08 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1j8h s VAL 186 CO 0.01 0.21 0.09 -1.83 0.00 0.00 0.00 175.10 173.58 1j8h s GLU 187 N 2.08 2.93 -0.00 2.72 -1.05 -1.26 -0.87 118.70 123.25 1j8h s GLU 187 Ca 0.05 -0.66 0.05 0.00 -0.15 0.00 0.00 54.97 54.26 1j8h s GLU 187 Cb -0.12 -2.75 -0.01 0.00 -0.44 0.00 0.00 34.13 30.80 1j8h s GLU 187 CO -0.04 0.57 -0.16 -0.46 0.95 0.00 0.00 175.26 176.12 1j8h s TRP 188 N -1.38 1.45 0.01 4.83 -0.00 0.14 -4.99 118.94 119.00 1j8h s TRP 188 Ca 0.29 -0.29 0.01 0.00 -0.00 0.00 0.00 56.10 56.12 1j8h s TRP 188 Cb -0.12 -0.92 -0.01 0.00 -0.00 0.00 0.00 33.47 32.42 1j8h s TRP 188 CO 0.22 -0.01 -0.05 1.03 -0.00 0.00 0.00 176.95 178.14 1j8h s ARG 189 N -0.53 0.39 0.00 5.86 0.52 -1.26 -1.76 118.95 122.17 1j8h s ARG 189 Ca 0.06 -0.30 0.26 0.00 -0.52 0.00 0.00 55.73 55.23 1j8h s ARG 189 Cb -0.07 -0.31 0.67 0.00 0.52 0.00 0.00 34.95 35.76 1j8h s ARG 189 CO -0.00 0.08 1.53 0.00 0.02 0.00 0.00 175.30 176.93