#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hq0 s MET 3 N 0.00 4.14 0.25 0.00 1.00 -1.26 -5.05 119.30 118.38 3hq0 s MET 3 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 55.69 55.83 3hq0 s MET 3 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 34.83 31.24 3hq0 s MET 3 CO 0.00 -0.11 0.31 -0.08 0.00 0.00 0.00 175.02 175.15 3hq0 s THR 4 N 1.52 0.00 0.00 2.05 -1.32 -1.26 -4.99 115.64 111.65 3hq0 s THR 4 Ca 0.18 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 3hq0 s THR 4 Cb -0.15 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 3hq0 s THR 4 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 3hq0 n GLY 5 N -0.39 3.27 3.65 6.08 0.00 -1.26 -4.50 105.19 112.03 3hq0 n GLY 5 Ca 0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3hq0 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hq0 s VAL 6 N 0.00 4.85 -0.18 1.61 1.01 -1.26 -0.69 120.40 125.74 3hq0 s VAL 6 Ca 0.00 1.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.38 3hq0 s VAL 6 Cb 0.00 -4.11 -0.21 0.00 0.00 0.00 0.00 36.38 32.05 3hq0 s VAL 6 CO 0.00 -0.04 0.25 0.18 0.00 0.00 0.00 175.10 175.48 3hq0 n LEU 7 N 5.79 2.14 -3.61 3.92 4.77 0.28 -4.82 117.00 125.46 3hq0 n LEU 7 Ca 0.05 0.34 -0.04 0.00 -0.03 0.00 0.00 56.01 56.33 3hq0 n LEU 7 Cb 0.48 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3hq0 n LEU 7 CO 0.47 0.49 0.84 0.00 -1.33 0.00 0.00 177.39 177.87 3hq0 s ARG 8 N -2.44 0.72 0.29 3.23 1.70 -1.19 -4.77 118.95 116.49 3hq0 s ARG 8 Ca -0.27 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 3hq0 s ARG 8 Cb 0.06 0.28 -0.12 0.00 -0.57 0.00 0.00 34.95 34.61 3hq0 s ARG 8 CO 0.65 -0.32 1.62 -2.30 -1.08 0.00 0.00 175.30 173.87 3hq0 n PRO 9 N -0.32 2.75 -0.08 3.89 -0.02 -1.26 -1.42 135.00 138.54 3hq0 n PRO 9 Ca -0.06 0.98 -0.11 0.00 -2.02 0.00 0.00 63.50 62.29 3hq0 n PRO 9 Cb 0.61 -2.77 -0.08 0.00 -0.02 0.00 0.00 33.50 31.24 3hq0 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hq0 n GLY 10 N 2.33 -0.28 3.54 -1.23 0.00 0.29 -4.69 105.19 105.15 3hq0 n GLY 10 Ca 0.09 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 3hq0 n GLY 10 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hq0 s HIS 11 N -2.32 -0.45 -0.07 1.61 -3.43 -0.65 -4.05 115.29 105.93 3hq0 s HIS 11 Ca -0.20 0.66 0.01 0.00 -0.80 0.00 0.00 55.06 54.73 3hq0 s HIS 11 Cb 0.05 0.46 0.02 0.00 -1.43 0.00 0.00 32.58 31.69 3hq0 s HIS 11 CO 0.40 -0.48 -0.07 0.00 -2.00 0.00 0.00 174.74 172.59 3hq0 s ALA 12 N -1.67 1.04 -0.23 -1.38 0.00 -0.02 0.50 121.76 120.00 3hq0 s ALA 12 Ca -0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 3hq0 s ALA 12 Cb -0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 3hq0 s ALA 12 CO 0.01 -0.12 0.04 -1.14 0.00 0.00 0.00 175.76 174.55 3hq0 s GLN 13 N 1.15 3.63 0.16 0.00 0.74 -0.79 -0.35 119.66 124.19 3hq0 s GLN 13 Ca -0.06 -0.50 0.11 0.00 0.05 0.00 0.00 55.36 54.95 3hq0 s GLN 13 Cb -0.14 -3.24 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3hq0 s GLN 13 CO -0.01 -0.13 -0.22 0.08 -0.55 0.00 0.00 175.29 174.46 3hq0 s VAL 14 N 1.43 2.54 -0.14 1.34 1.01 0.14 -0.97 120.40 125.76 3hq0 s VAL 14 Ca 0.05 -1.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.06 3hq0 s VAL 14 Cb -0.15 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 3hq0 s VAL 14 CO 0.02 -0.03 0.34 -0.13 0.00 0.00 0.00 175.10 175.30 3hq0 s ARG 15 N -2.47 4.23 -0.08 2.72 0.52 0.41 -0.58 118.95 123.70 3hq0 s ARG 15 Ca 0.19 0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.64 3hq0 s ARG 15 Cb -0.09 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 3hq0 s ARG 15 CO 0.10 0.27 -0.20 0.14 0.02 0.00 0.00 175.30 175.63 3hq0 s VAL 16 N 0.34 2.47 -1.13 3.52 -7.23 0.03 -3.72 120.40 114.68 3hq0 s VAL 16 Ca 0.19 -0.90 0.12 0.00 -1.81 0.00 0.00 61.98 59.58 3hq0 s VAL 16 Cb -0.14 -1.95 0.14 0.00 0.56 0.00 0.00 36.38 34.99 3hq0 s VAL 16 CO 0.06 0.56 1.37 0.18 -0.31 0.00 0.00 175.10 176.96 3hq0 n LEU 17 N 3.07 0.00 -3.22 1.32 4.77 -1.26 -1.71 117.00 119.97 3hq0 n LEU 17 Ca -0.18 0.43 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 3hq0 n LEU 17 Cb 0.52 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3hq0 n LEU 17 CO 0.27 -0.25 0.06 0.21 -1.33 0.00 0.00 177.39 176.35 3hq0 s ASN 18 N -2.87 -0.79 0.00 -1.43 3.04 -1.26 -4.77 114.94 106.86 3hq0 s ASN 18 Ca 0.08 0.30 0.00 0.00 0.04 0.00 0.00 52.86 53.27 3hq0 s ASN 18 Cb 0.08 1.72 0.00 0.00 -1.54 0.00 0.00 41.25 41.51 3hq0 s ASN 18 CO 0.22 -0.30 0.44 -0.11 -3.04 0.00 0.00 177.10 174.31 3hq0 n LEU 19 N 5.40 0.00 -0.23 3.21 0.00 -1.26 -0.97 117.00 123.15 3hq0 n LEU 19 Ca 0.01 0.44 0.22 0.00 0.00 0.00 0.00 56.01 56.68 3hq0 n LEU 19 Cb 0.51 0.00 0.40 0.00 0.00 0.00 0.00 43.42 44.33 3hq0 n LEU 19 CO -0.00 0.00 0.72 1.21 0.00 0.00 0.00 177.39 179.32 3hq0 n GLU 20 N -0.63 -0.04 0.07 1.96 2.13 -1.26 0.33 120.64 123.20 3hq0 n GLU 20 Ca 0.00 0.90 -0.10 0.00 0.66 0.00 0.00 57.16 58.62 3hq0 n GLU 20 Cb 0.00 -1.64 0.01 0.00 0.27 0.00 0.00 31.44 30.08 3hq0 n GLU 20 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3hq0 h GLU 21 N 0.00 0.33 -0.52 5.31 5.08 -1.97 -2.42 114.58 120.39 3hq0 h GLU 21 Ca 0.57 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3hq0 h GLU 21 Cb 1.55 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 3hq0 h GLU 21 CO -0.47 0.98 -0.14 0.78 -1.00 0.00 0.00 179.01 179.16 3hq0 h GLY 22 N 1.45 1.10 1.00 -3.84 0.00 0.73 -2.01 103.07 101.49 3hq0 h GLY 22 Ca -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 3hq0 h GLY 22 CO 0.13 0.84 0.33 -2.22 0.00 0.00 0.00 176.54 175.62 3hq0 h ILE 23 N 0.89 1.22 0.23 2.60 2.04 -0.94 -1.42 117.51 122.12 3hq0 h ILE 23 Ca 0.13 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3hq0 h ILE 23 Cb 0.71 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3hq0 h ILE 23 CO 0.05 0.26 -0.11 -0.74 0.00 0.00 0.00 178.15 177.61 3hq0 h HIS 24 N 0.92 -0.28 -0.78 1.37 2.76 -1.25 -1.83 115.15 116.05 3hq0 h HIS 24 Ca 0.23 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3hq0 h HIS 24 Cb 0.11 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 3hq0 h HIS 24 CO 0.00 -0.10 0.42 0.35 -1.30 0.00 0.00 177.93 177.31 3hq0 h PHE 25 N -0.41 1.08 0.00 5.26 3.04 -1.25 -0.53 116.94 124.13 3hq0 h PHE 25 Ca -0.03 -0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.83 3hq0 h PHE 25 Cb 0.31 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.47 3hq0 h PHE 25 CO -0.03 0.76 -0.27 1.88 -2.02 0.00 0.00 178.31 178.62 3hq0 h TYR 26 N 1.09 0.00 0.14 0.41 0.05 -1.25 -0.75 116.97 116.66 3hq0 h TYR 26 Ca 0.27 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.69 3hq0 h TYR 26 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3hq0 h TYR 26 CO 0.00 0.27 -1.91 -0.09 -1.05 0.00 0.00 178.16 175.38 3hq0 h ARG 27 N 0.00 0.31 0.03 4.88 9.65 -1.17 0.14 114.38 128.21 3hq0 h ARG 27 Ca -0.00 -0.52 -0.37 0.00 -1.10 0.00 0.00 59.98 57.98 3hq0 h ARG 27 Cb 1.04 0.19 -0.06 0.00 -1.39 0.00 0.00 29.97 29.76 3hq0 h ARG 27 CO 0.04 1.24 -2.28 0.09 2.80 0.00 0.00 179.97 181.85 3hq0 n ASN 28 N -3.51 1.49 -0.04 -3.80 5.03 -0.22 -3.67 115.26 110.54 3hq0 n ASN 28 Ca -0.29 0.02 -0.02 0.00 0.87 0.00 0.00 54.58 55.16 3hq0 n ASN 28 Cb 1.06 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.64 3hq0 n ASN 28 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3hq0 h VAL 29 N 0.02 0.00 -0.04 2.41 2.07 -1.29 -3.38 116.25 116.04 3hq0 h VAL 29 Ca -0.51 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.34 3hq0 h VAL 29 Cb 2.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3hq0 h VAL 29 CO -0.01 0.00 -0.44 0.25 0.02 0.00 0.00 177.57 177.39 3hq0 h LEU 30 N -0.56 0.09 -1.35 2.57 5.85 -1.53 0.18 115.31 120.55 3hq0 h LEU 30 Ca 0.00 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 3hq0 h LEU 30 Cb 0.18 -0.03 0.04 0.00 0.37 0.00 0.00 40.66 41.22 3hq0 h LEU 30 CO 0.00 0.52 -0.18 0.61 -0.34 0.00 0.00 178.44 179.06 3hq0 n GLY 31 N -0.21 0.45 3.88 3.75 0.00 -0.88 0.49 105.19 112.67 3hq0 n GLY 31 Ca -0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3hq0 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hq0 s LEU 32 N -2.77 3.84 -0.28 0.99 1.02 0.44 -4.00 118.68 117.92 3hq0 s LEU 32 Ca 0.09 1.05 -0.16 0.00 0.02 0.00 0.00 54.13 55.12 3hq0 s LEU 32 Cb -0.04 -3.93 -0.03 0.00 0.02 0.00 0.00 46.19 42.22 3hq0 s LEU 32 CO 0.18 -0.39 0.44 -0.69 0.02 0.00 0.00 176.35 175.90 3hq0 s VAL 33 N -2.38 5.12 0.04 -1.59 1.01 0.18 -4.50 120.40 118.28 3hq0 s VAL 33 Ca 0.50 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 3hq0 s VAL 33 Cb -0.10 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 3hq0 s VAL 33 CO 0.33 0.07 1.21 -0.70 0.00 0.00 0.00 175.10 176.01 3hq0 s GLU 34 N 2.19 4.41 -0.00 2.72 2.12 -1.26 -0.68 118.70 128.20 3hq0 s GLU 34 Ca 0.17 1.77 0.04 0.00 0.36 0.00 0.00 54.97 57.32 3hq0 s GLU 34 Cb -0.16 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.78 3hq0 s GLU 34 CO 0.10 -0.31 0.14 0.25 -0.54 0.00 0.00 175.26 174.91 3hq0 n THR 35 N 4.08 0.00 0.00 -1.70 -2.24 0.48 -4.95 114.28 109.94 3hq0 n THR 35 Ca 0.09 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3hq0 n THR 35 Cb 0.46 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3hq0 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hq0 n GLY 36 N 1.69 0.62 2.95 3.38 0.00 -1.19 -4.97 105.19 107.66 3hq0 n GLY 36 Ca -0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 3hq0 n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hq0 s ARG 37 N -2.00 0.11 0.22 1.61 0.52 -1.26 0.12 118.95 118.27 3hq0 s ARG 37 Ca 0.00 0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 55.83 3hq0 s ARG 37 Cb 0.00 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.37 3hq0 s ARG 37 CO 0.00 -0.27 0.31 -0.40 0.02 0.00 0.00 175.30 174.96 3hq0 n ASP 38 N 5.11 0.35 0.09 0.23 5.68 -0.74 -4.96 116.55 122.32 3hq0 n ASP 38 Ca -0.10 -1.31 -0.02 0.00 -0.50 0.00 0.00 54.79 52.86 3hq0 n ASP 38 Cb 0.50 -0.20 0.23 0.00 -1.14 0.00 0.00 41.12 40.51 3hq0 n ASP 38 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hq0 h ASP 39 N -0.22 0.27 0.64 -1.12 3.32 -1.99 -2.16 116.42 115.17 3hq0 h ASP 39 Ca -0.10 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3hq0 h ASP 39 Cb 0.36 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hq0 h ASP 39 CO 0.10 0.63 0.00 0.00 -1.72 0.00 0.00 179.24 178.25 3hq0 n GLN 40 N -4.05 0.18 -0.27 3.56 6.02 -1.26 -4.86 117.38 116.70 3hq0 n GLN 40 Ca -0.01 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 3hq0 n GLN 40 Cb 0.46 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3hq0 n GLN 40 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hq0 n GLY 41 N -0.13 0.74 3.80 1.08 0.00 -0.81 -4.97 105.19 104.89 3hq0 n GLY 41 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 3hq0 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hq0 s ARG 42 N -0.73 4.05 -0.08 1.61 0.52 -1.26 -4.78 118.95 118.27 3hq0 s ARG 42 Ca 0.00 1.29 0.04 0.00 -0.52 0.00 0.00 55.73 56.54 3hq0 s ARG 42 Cb 0.00 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.24 3hq0 s ARG 42 CO 0.00 -0.21 -0.20 0.54 0.02 0.00 0.00 175.30 175.45 3hq0 s VAL 43 N -2.00 2.52 -0.08 3.52 0.11 -1.09 -1.80 120.40 121.60 3hq0 s VAL 43 Ca 0.63 -0.89 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 3hq0 s VAL 43 Cb -0.14 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 3hq0 s VAL 43 CO 0.18 0.56 0.18 -0.31 -3.33 0.00 0.00 175.10 172.39 3hq0 s TYR 44 N -0.13 3.60 0.12 1.54 1.51 0.33 -2.74 117.35 121.59 3hq0 s TYR 44 Ca -0.03 0.54 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 3hq0 s TYR 44 Cb -0.14 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 3hq0 s TYR 44 CO 0.04 0.70 -0.08 -0.06 -1.11 0.00 0.00 175.55 175.04 3hq0 s PHE 45 N -1.11 1.08 -0.02 2.71 0.40 -0.44 -0.39 117.98 120.21 3hq0 s PHE 45 Ca 0.19 -0.84 -0.09 0.00 -0.60 0.00 0.00 56.93 55.59 3hq0 s PHE 45 Cb -0.13 -0.58 0.01 0.00 0.51 0.00 0.00 43.02 42.83 3hq0 s PHE 45 CO 0.09 -0.03 0.20 -1.59 0.70 0.00 0.00 175.22 174.58 3hq0 s LYS 46 N -3.79 0.48 0.54 0.44 -2.85 0.14 -0.58 119.74 114.12 3hq0 s LYS 46 Ca 0.14 -0.20 -0.19 0.00 -1.00 0.00 0.00 55.97 54.72 3hq0 s LYS 46 Cb 0.04 0.21 -0.06 0.00 -2.06 0.00 0.00 37.83 35.96 3hq0 s LYS 46 CO -0.02 -0.11 1.10 0.00 0.10 0.00 0.00 175.35 176.41 3hq0 h TRP 48 N 1.19 0.45 -0.00 0.00 5.08 -1.82 -2.43 115.95 118.43 3hq0 h TRP 48 Ca -0.49 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3hq0 h TRP 48 Cb 1.25 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3hq0 h TRP 48 CO 0.53 0.11 -0.06 -3.47 -1.28 0.00 0.00 178.44 174.28 3hq0 n ASP 49 N -4.98 0.35 -4.82 0.11 2.03 -1.26 -4.45 116.55 103.53 3hq0 n ASP 49 Ca 0.10 -0.62 -0.29 0.00 0.52 0.00 0.00 54.79 54.50 3hq0 n ASP 49 Cb 0.30 -0.10 0.10 0.00 -0.72 0.00 0.00 41.12 40.71 3hq0 n ASP 49 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hq0 s GLU 50 N -2.38 1.76 -0.02 -0.67 2.02 -0.92 -4.80 118.70 113.70 3hq0 s GLU 50 Ca 0.33 0.41 0.05 0.00 0.02 0.00 0.00 54.97 55.78 3hq0 s GLU 50 Cb 0.20 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.46 3hq0 s GLU 50 CO 0.44 -1.79 0.09 0.54 0.02 0.00 0.00 175.26 174.56 3hq0 n ARG 51 N -3.51 0.92 -2.49 1.61 1.74 -1.26 -3.64 116.66 110.03 3hq0 n ARG 51 Ca 0.07 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.79 3hq0 n ARG 51 Cb 0.58 -1.12 -0.04 0.00 -1.02 0.00 0.00 32.46 30.86 3hq0 n ARG 51 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hq0 s ASP 52 N -2.84 6.68 0.45 0.55 1.11 -1.26 0.81 116.67 122.17 3hq0 s ASP 52 Ca -0.02 1.58 0.26 0.00 0.18 0.00 0.00 52.55 54.56 3hq0 s ASP 52 Cb 0.03 -2.51 1.30 0.00 1.07 0.00 0.00 42.92 42.81 3hq0 s ASP 52 CO 0.21 -0.54 1.75 -0.74 1.18 0.00 0.00 175.17 177.03 3hq0 h HIS 53 N 1.12 0.43 -2.12 4.23 2.76 -1.34 -3.43 115.15 116.80 3hq0 h HIS 53 Ca -0.47 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 57.75 3hq0 h HIS 53 Cb 1.18 -0.12 -0.18 0.00 1.55 0.00 0.00 27.41 29.84 3hq0 h HIS 53 CO 0.63 -0.00 0.39 -1.54 -1.30 0.00 0.00 177.93 176.11 3hq0 s SER 54 N -5.07 -0.47 0.00 3.26 1.04 -1.26 -4.44 113.70 106.75 3hq0 s SER 54 Ca -0.07 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.65 3hq0 s SER 54 Cb 0.25 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.81 3hq0 s SER 54 CO 0.81 -0.60 0.00 0.00 0.98 0.00 0.00 173.24 174.43 3hq0 s TYR 56 N -0.23 0.20 -0.09 0.00 5.04 -1.07 -0.84 117.35 120.36 3hq0 s TYR 56 Ca 0.00 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 3hq0 s TYR 56 Cb 0.00 -0.49 0.01 0.00 0.35 0.00 0.00 41.96 41.83 3hq0 s TYR 56 CO 0.00 -0.19 -0.14 0.42 -1.34 0.00 0.00 175.55 174.30 3hq0 s ILE 57 N 1.80 1.35 -0.04 3.14 1.01 0.52 -1.33 121.20 127.65 3hq0 s ILE 57 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3hq0 s ILE 57 Cb -0.12 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3hq0 s ILE 57 CO -0.03 0.41 -0.07 0.27 0.00 0.00 0.00 174.94 175.51 3hq0 s ILE 58 N 0.79 3.65 -0.08 2.92 -4.36 -1.11 0.23 121.20 123.24 3hq0 s ILE 58 Ca -0.11 -0.60 0.01 0.00 -0.26 0.00 0.00 60.65 59.69 3hq0 s ILE 58 Cb -0.16 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.05 3hq0 s ILE 58 CO 0.02 0.53 -0.10 -0.60 0.24 0.00 0.00 174.94 175.02 3hq0 s ARG 59 N -1.02 1.62 0.05 0.37 3.52 0.25 -2.66 118.95 121.09 3hq0 s ARG 59 Ca 0.14 -0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 55.08 3hq0 s ARG 59 Cb -0.11 -1.46 -0.07 0.00 -1.56 0.00 0.00 34.95 31.75 3hq0 s ARG 59 CO 0.03 -0.08 1.51 -2.00 -0.81 0.00 0.00 175.30 173.95 3hq0 s GLU 60 N 1.05 4.25 0.32 5.12 2.12 -1.26 -0.79 118.70 129.52 3hq0 s GLU 60 Ca -0.07 2.14 -0.13 0.00 0.36 0.00 0.00 54.97 57.27 3hq0 s GLU 60 Cb -0.15 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.75 3hq0 s GLU 60 CO -0.01 -0.62 0.63 0.00 -0.54 0.00 0.00 175.26 174.73 3hq0 s ALA 61 N 2.25 -0.40 -2.29 6.30 0.00 -0.69 -4.90 121.76 122.03 3hq0 s ALA 61 Ca 0.68 -0.85 0.24 0.00 0.00 0.00 0.00 51.96 52.03 3hq0 s ALA 61 Cb -0.36 0.91 1.00 0.00 0.00 0.00 0.00 23.12 24.67 3hq0 s ALA 61 CO 0.29 -0.93 1.69 -0.40 0.00 0.00 0.00 175.76 176.42 3hq0 n ASP 62 N -0.97 1.25 -3.83 0.00 5.68 -1.26 -4.09 116.55 113.33 3hq0 n ASP 62 Ca -0.04 -1.54 -0.12 0.00 -0.50 0.00 0.00 54.79 52.59 3hq0 n ASP 62 Cb 0.61 -0.05 -0.13 0.00 -1.14 0.00 0.00 41.12 40.41 3hq0 n ASP 62 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3hq0 s THR 63 N -1.90 -0.00 0.67 2.12 2.01 -1.26 -5.03 115.64 112.25 3hq0 s THR 63 Ca 0.35 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.28 3hq0 s THR 63 Cb 0.18 -0.16 0.03 0.00 0.01 0.00 0.00 72.50 72.57 3hq0 s THR 63 CO 0.29 0.00 1.01 0.00 -0.69 0.00 0.00 174.62 175.23 3hq0 s ALA 64 N 0.10 3.10 0.00 7.40 0.00 -1.26 -4.54 121.76 126.57 3hq0 s ALA 64 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3hq0 s ALA 64 Cb -0.01 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3hq0 s ALA 64 CO -0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 3hq0 n GLY 65 N -2.85 0.73 3.49 0.00 0.00 -1.24 -4.89 105.19 100.42 3hq0 n GLY 65 Ca 0.06 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 3hq0 n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hq0 s ILE 66 N -1.02 4.03 -0.07 -0.61 2.07 -1.26 -0.44 121.20 123.89 3hq0 s ILE 66 Ca 0.00 -0.30 -0.20 0.00 -1.41 0.00 0.00 60.65 58.74 3hq0 s ILE 66 Cb 0.00 -2.80 -0.16 0.00 0.13 0.00 0.00 42.46 39.64 3hq0 s ILE 66 CO 0.00 0.46 0.79 0.44 -1.91 0.00 0.00 174.94 174.72 3hq0 h ASP 67 N 7.06 -0.14 -5.07 4.50 3.32 -1.40 -3.48 116.42 121.21 3hq0 h ASP 67 Ca -0.34 -0.40 0.10 0.00 0.02 0.00 0.00 57.03 56.41 3hq0 h ASP 67 Cb 1.18 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 3hq0 h ASP 67 CO 0.63 0.46 0.35 0.72 -1.72 0.00 0.00 179.24 179.67 3hq0 s PHE 68 N -3.13 -0.24 -0.10 4.55 -0.12 -1.21 -4.38 117.98 113.36 3hq0 s PHE 68 Ca -0.12 -0.09 -0.00 0.00 -0.05 0.00 0.00 56.93 56.67 3hq0 s PHE 68 Cb 0.00 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 43.06 3hq0 s PHE 68 CO 0.46 -0.95 -0.07 0.12 -0.05 0.00 0.00 175.22 174.74 3hq0 s PHE 69 N -3.57 1.31 0.12 3.49 2.19 -0.68 -1.89 117.98 118.94 3hq0 s PHE 69 Ca 0.09 -0.60 0.05 0.00 0.33 0.00 0.00 56.93 56.81 3hq0 s PHE 69 Cb -0.03 -1.12 -0.04 0.00 -1.31 0.00 0.00 43.02 40.52 3hq0 s PHE 69 CO 0.00 -0.45 0.02 0.20 1.83 0.00 0.00 175.22 176.83 3hq0 s GLY 70 N 1.63 1.86 0.05 13.12 0.00 0.18 -1.06 107.32 123.09 3hq0 s GLY 70 Ca 0.03 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 43.66 3hq0 s GLY 70 CO -0.06 -1.17 -0.24 -1.36 0.00 0.00 0.00 173.10 170.27 3hq0 s PHE 71 N -1.46 2.11 -0.03 1.90 0.08 0.46 0.11 117.98 121.14 3hq0 s PHE 71 Ca 0.27 -0.40 -0.14 0.00 0.12 0.00 0.00 56.93 56.78 3hq0 s PHE 71 Cb -0.11 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.03 3hq0 s PHE 71 CO 0.19 0.12 0.38 0.21 -0.10 0.00 0.00 175.22 176.02 3hq0 s LYS 72 N -1.24 3.91 0.33 0.44 2.20 -0.50 -1.54 119.74 123.35 3hq0 s LYS 72 Ca 0.10 0.34 0.08 0.00 -0.36 0.00 0.00 55.97 56.13 3hq0 s LYS 72 Cb -0.09 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 3hq0 s LYS 72 CO 0.02 0.64 0.13 0.14 -0.36 0.00 0.00 175.35 175.92 3hq0 s VAL 73 N -0.88 3.08 0.16 4.02 -7.23 0.45 -0.56 120.40 119.44 3hq0 s VAL 73 Ca 0.22 -1.71 -0.23 0.00 -1.81 0.00 0.00 61.98 58.46 3hq0 s VAL 73 Cb -0.16 -2.97 0.04 0.00 0.56 0.00 0.00 36.38 33.85 3hq0 s VAL 73 CO 0.12 -0.20 1.61 0.25 -0.31 0.00 0.00 175.10 176.57 3hq0 h LEU 74 N 1.57 -0.92 0.00 1.32 5.85 -1.23 -3.42 115.31 118.48 3hq0 h LEU 74 Ca -0.44 0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.36 3hq0 h LEU 74 Cb 1.25 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3hq0 h LEU 74 CO 0.63 -0.31 0.19 -0.90 -0.34 0.00 0.00 178.44 177.71 3hq0 n ASP 75 N -5.40 -2.08 -0.31 1.25 5.68 -1.26 -5.03 116.55 109.41 3hq0 n ASP 75 Ca -0.00 -2.63 -0.04 0.00 -0.50 0.00 0.00 54.79 51.62 3hq0 n ASP 75 Cb 0.32 3.52 0.08 0.00 -1.14 0.00 0.00 41.12 43.89 3hq0 n ASP 75 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3hq0 h LYS 76 N 0.00 1.09 -0.74 0.11 1.57 -1.90 -1.94 116.57 114.76 3hq0 h LYS 76 Ca -0.32 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3hq0 h LYS 76 Cb 1.21 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 3hq0 h LYS 76 CO 0.41 0.72 0.45 0.00 -0.57 0.00 0.00 179.45 180.46 3hq0 h ALA 77 N 1.31 0.94 -0.58 3.86 0.00 -2.00 -1.89 119.26 120.90 3hq0 h ALA 77 Ca 0.31 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3hq0 h ALA 77 Cb -0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 3hq0 h ALA 77 CO -0.07 0.40 0.14 1.15 0.00 0.00 0.00 179.25 180.87 3hq0 h THR 78 N 1.00 1.23 -0.66 0.00 2.02 -1.84 -1.95 112.91 112.72 3hq0 h THR 78 Ca 0.26 -0.84 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 3hq0 h THR 78 Cb -0.05 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3hq0 h THR 78 CO -0.05 0.32 0.26 0.25 0.37 0.00 0.00 175.52 176.67 3hq0 h LEU 79 N 0.85 0.91 -0.47 2.58 5.85 -0.76 -1.10 115.31 123.18 3hq0 h LEU 79 Ca 0.19 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 3hq0 h LEU 79 Cb 0.30 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3hq0 h LEU 79 CO -0.00 0.84 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.52 3hq0 h GLU 80 N 0.93 0.88 -0.04 1.25 4.39 -1.08 -1.71 114.58 119.21 3hq0 h GLU 80 Ca 0.22 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3hq0 h GLU 80 Cb 0.21 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3hq0 h GLU 80 CO -0.02 0.96 0.02 -0.22 -1.16 0.00 0.00 179.01 178.59 3hq0 h LYS 81 N 0.73 0.05 -0.95 2.33 3.64 -1.13 -1.68 116.57 119.56 3hq0 h LYS 81 Ca 0.12 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3hq0 h LYS 81 Cb 0.62 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 3hq0 h LYS 81 CO 0.04 0.17 0.62 -0.07 -2.27 0.00 0.00 179.45 177.95 3hq0 h LEU 82 N -0.08 1.02 0.42 5.20 4.07 -1.18 0.32 115.31 125.08 3hq0 h LEU 82 Ca 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3hq0 h LEU 82 Cb 0.14 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3hq0 h LEU 82 CO -0.00 0.70 -0.30 -0.78 -1.08 0.00 0.00 178.44 176.98 3hq0 h ASP 83 N 1.18 -0.76 -0.84 -0.43 -0.00 -1.03 0.42 116.42 114.95 3hq0 h ASP 83 Ca 0.38 0.05 0.02 0.00 -0.00 0.00 0.00 57.03 57.49 3hq0 h ASP 83 Cb 0.03 0.24 -0.05 0.00 -0.00 0.00 0.00 39.33 39.56 3hq0 h ASP 83 CO -0.12 -0.45 0.56 0.00 -0.00 0.00 0.00 179.24 179.22 3hq0 h ALA 84 N -0.20 1.44 -0.53 -0.78 0.00 -0.68 -1.50 119.26 117.03 3hq0 h ALA 84 Ca -0.04 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3hq0 h ALA 84 Cb 0.59 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3hq0 h ALA 84 CO 0.02 0.49 -0.14 -0.44 0.00 0.00 0.00 179.25 179.18 3hq0 h ASP 85 N 1.09 1.02 -0.68 0.00 3.32 0.15 0.28 116.42 121.61 3hq0 h ASP 85 Ca 0.32 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3hq0 h ASP 85 Cb -0.04 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 3hq0 h ASP 85 CO -0.09 1.15 0.32 -0.07 -1.72 0.00 0.00 179.24 178.83 3hq0 h LEU 86 N 0.90 0.89 -0.15 1.55 3.38 0.41 -0.81 115.31 121.47 3hq0 h LEU 86 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hq0 h LEU 86 Cb 0.70 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3hq0 h LEU 86 CO 0.05 0.77 -0.12 1.56 0.09 0.00 0.00 178.44 180.79 3hq0 h GLN 87 N 0.94 0.35 -0.69 1.13 4.20 -0.97 -1.71 115.11 118.36 3hq0 h GLN 87 Ca 0.23 -0.18 0.13 0.00 0.06 0.00 0.00 58.65 58.90 3hq0 h GLN 87 Cb 0.12 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3hq0 h GLN 87 CO -0.03 0.72 0.46 0.00 -0.67 0.00 0.00 178.83 179.31 3hq0 h ALA 88 N 0.63 2.12 0.00 3.87 0.00 -0.28 0.28 119.26 125.89 3hq0 h ALA 88 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hq0 h ALA 88 Cb 0.64 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hq0 h ALA 88 CO 0.03 -0.30 -0.03 -0.92 0.00 0.00 0.00 179.25 178.03 3hq0 h TYR 89 N 0.38 0.00 0.00 0.00 3.20 -0.84 -3.46 116.97 116.24 3hq0 h TYR 89 Ca 0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.20 3hq0 h TYR 89 Cb 0.78 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3hq0 h TYR 89 CO -0.00 0.03 0.00 0.41 -1.64 0.00 0.00 178.16 176.96 3hq0 n GLY 90 N 0.05 1.19 3.87 1.82 0.00 1.00 -5.10 105.19 108.02 3hq0 n GLY 90 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hq0 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hq0 s LEU 91 N 0.00 4.40 -0.22 0.99 1.43 -0.67 -5.01 118.68 119.61 3hq0 s LEU 91 Ca 0.00 0.59 -0.18 0.00 -1.03 0.00 0.00 54.13 53.51 3hq0 s LEU 91 Cb 0.00 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3hq0 s LEU 91 CO 0.00 0.34 0.50 0.42 0.23 0.00 0.00 176.35 177.84 3hq0 s THR 92 N -1.12 5.11 0.18 5.49 -4.23 -1.26 -3.67 115.64 116.13 3hq0 s THR 92 Ca 0.21 0.90 0.01 0.00 -1.18 0.00 0.00 61.69 61.62 3hq0 s THR 92 Cb -0.13 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 3hq0 s THR 92 CO 0.10 0.16 0.35 -0.89 -0.54 0.00 0.00 174.62 173.80 3hq0 s THR 93 N 1.76 5.25 -0.00 3.99 2.01 -1.26 -4.54 115.64 122.85 3hq0 s THR 93 Ca 0.23 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3hq0 s THR 93 Cb -0.15 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3hq0 s THR 93 CO 0.09 -0.14 -0.11 -0.89 -0.69 0.00 0.00 174.62 172.88 3hq0 s THR 94 N -1.82 0.89 -0.31 -0.82 2.01 -0.30 -4.99 115.64 110.30 3hq0 s THR 94 Ca 0.37 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 3hq0 s THR 94 Cb -0.11 -0.76 0.03 0.00 0.01 0.00 0.00 72.50 71.67 3hq0 s THR 94 CO 0.29 0.20 0.08 -0.60 -0.69 0.00 0.00 174.62 173.90 3hq0 s ARG 95 N -0.39 2.83 -0.06 4.92 6.06 -1.26 -0.64 118.95 130.41 3hq0 s ARG 95 Ca 0.04 -1.03 -0.22 0.00 -2.50 0.00 0.00 55.73 52.02 3hq0 s ARG 95 Cb -0.05 -3.37 -0.04 0.00 0.06 0.00 0.00 34.95 31.55 3hq0 s ARG 95 CO -0.00 -0.55 0.66 0.42 -2.50 0.00 0.00 175.30 173.33 3hq0 s ILE 96 N 1.43 5.04 0.54 4.11 1.09 0.21 -4.93 121.20 128.69 3hq0 s ILE 96 Ca 0.00 1.35 -0.20 0.00 -1.10 0.00 0.00 60.65 60.70 3hq0 s ILE 96 Cb -0.18 -4.00 -0.06 0.00 -1.06 0.00 0.00 42.46 37.17 3hq0 s ILE 96 CO 0.02 0.29 1.15 -2.16 -0.10 0.00 0.00 174.94 174.14 3hq0 s PRO 97 N 0.61 3.35 0.53 2.79 0.04 -1.26 -0.76 135.00 140.30 3hq0 s PRO 97 Ca 0.35 1.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 3hq0 s PRO 97 Cb -0.17 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3hq0 s PRO 97 CO 0.17 -0.87 1.37 0.00 0.04 0.00 0.00 177.00 177.71 3hq0 s ALA 98 N -1.70 2.89 0.00 8.56 0.00 -1.26 -2.01 121.76 128.23 3hq0 s ALA 98 Ca 0.72 1.36 0.00 0.00 0.00 0.00 0.00 51.96 54.05 3hq0 s ALA 98 Cb -0.26 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3hq0 s ALA 98 CO 0.29 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 175.11 3hq0 n GLY 99 N 0.70 2.93 0.39 0.00 0.00 -0.45 -4.82 105.19 103.94 3hq0 n GLY 99 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 3hq0 n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hq0 h GLU 100 N 0.72 0.38 -5.25 1.61 4.22 -1.66 -3.34 114.58 111.27 3hq0 h GLU 100 Ca 0.00 -0.02 -0.67 0.00 0.08 0.00 0.00 59.36 58.75 3hq0 h GLU 100 Cb 0.00 -0.09 -0.31 0.00 0.50 0.00 0.00 28.75 28.85 3hq0 h GLU 100 CO 0.00 0.25 -0.83 1.41 -2.18 0.00 0.00 179.01 177.67 3hq0 s MET 101 N -5.40 3.18 0.18 1.92 1.75 -1.26 -5.08 119.30 114.59 3hq0 s MET 101 Ca -0.08 -0.79 -0.30 0.00 -1.25 0.00 0.00 55.69 53.28 3hq0 s MET 101 Cb 0.22 -2.52 -0.17 0.00 2.84 0.00 0.00 34.83 35.20 3hq0 s MET 101 CO 0.77 0.08 0.71 1.28 -0.65 0.00 0.00 175.02 177.22 3hq0 n LEU 102 N 3.85 -0.43 -3.29 4.11 4.77 -1.25 -1.51 117.00 123.24 3hq0 n LEU 102 Ca -0.19 1.14 -0.20 0.00 -0.03 0.00 0.00 56.01 56.73 3hq0 n LEU 102 Cb 0.52 -1.02 -0.02 0.00 -2.33 0.00 0.00 43.42 40.58 3hq0 n LEU 102 CO 0.29 -2.49 -0.06 -0.62 -1.33 0.00 0.00 177.39 173.18 3hq0 n GLU 103 N 1.08 -2.61 -4.57 3.23 -0.58 -1.26 -4.93 120.64 111.00 3hq0 n GLU 103 Ca 0.17 0.28 -0.22 0.00 -0.42 0.00 0.00 57.16 56.97 3hq0 n GLU 103 Cb 0.24 -4.90 -0.15 0.00 -0.57 0.00 0.00 31.44 26.06 3hq0 n GLU 103 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3hq0 s THR 104 N -2.71 1.01 0.42 2.62 2.01 -0.57 -1.97 115.64 116.45 3hq0 s THR 104 Ca 0.35 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.75 3hq0 s THR 104 Cb -0.19 -0.86 0.10 0.00 0.01 0.00 0.00 72.50 71.56 3hq0 s THR 104 CO 0.43 0.29 0.54 0.61 -0.69 0.00 0.00 174.62 175.79 3hq0 n GLY 105 N 2.91 -1.48 3.73 4.40 0.00 0.38 -1.34 105.19 113.79 3hq0 n GLY 105 Ca -0.15 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 3hq0 n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hq0 s GLU 106 N -4.18 2.29 0.05 1.61 -1.05 -1.26 -4.36 118.70 111.81 3hq0 s GLU 106 Ca 0.31 1.66 0.05 0.00 -0.15 0.00 0.00 54.97 56.83 3hq0 s GLU 106 Cb -0.01 -1.86 -0.02 0.00 -0.44 0.00 0.00 34.13 31.79 3hq0 s GLU 106 CO 0.22 -1.69 -0.13 1.03 0.95 0.00 0.00 175.26 175.63 3hq0 s ARG 107 N -3.97 0.84 -0.38 -4.83 0.52 0.06 -4.43 118.95 106.77 3hq0 s ARG 107 Ca 0.72 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.96 3hq0 s ARG 107 Cb -0.27 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.37 3hq0 s ARG 107 CO 0.44 0.20 0.30 0.08 0.02 0.00 0.00 175.30 176.34 3hq0 s VAL 108 N -1.04 5.24 0.02 3.52 1.01 0.28 -0.62 120.40 128.81 3hq0 s VAL 108 Ca -0.01 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3hq0 s VAL 108 Cb -0.09 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3hq0 s VAL 108 CO 0.02 -0.19 -0.03 -0.60 0.00 0.00 0.00 175.10 174.29 3hq0 s ARG 109 N 1.79 2.64 0.08 2.72 3.52 0.18 -1.34 118.95 128.54 3hq0 s ARG 109 Ca 0.07 -0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 54.75 3hq0 s ARG 109 Cb -0.18 -2.57 0.05 0.00 -1.56 0.00 0.00 34.95 30.69 3hq0 s ARG 109 CO 0.11 0.60 0.51 -0.59 -0.81 0.00 0.00 175.30 175.12 3hq0 s PHE 110 N -1.09 -0.41 -0.17 5.12 -0.12 -0.65 -1.16 117.98 119.50 3hq0 s PHE 110 Ca 0.20 0.36 -0.07 0.00 -0.05 0.00 0.00 56.93 57.36 3hq0 s PHE 110 Cb -0.11 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3hq0 s PHE 110 CO 0.11 -0.68 0.08 -2.00 -0.05 0.00 0.00 175.22 172.68 3hq0 s GLU 111 N -2.85 3.84 0.59 1.99 2.12 -1.26 -1.01 118.70 122.12 3hq0 s GLU 111 Ca -0.03 -0.29 -0.08 0.00 0.36 0.00 0.00 54.97 54.93 3hq0 s GLU 111 Cb -0.00 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3hq0 s GLU 111 CO -0.05 0.40 0.94 -0.51 -0.54 0.00 0.00 175.26 175.50 3hq0 s LEU 112 N 0.02 3.28 0.61 2.70 1.43 -0.23 -4.95 118.68 121.53 3hq0 s LEU 112 Ca 0.07 1.03 0.37 0.00 -1.03 0.00 0.00 54.13 54.58 3hq0 s LEU 112 Cb -0.12 -3.95 1.98 0.00 0.03 0.00 0.00 46.19 44.13 3hq0 s LEU 112 CO 0.00 -0.93 2.24 -0.65 0.23 0.00 0.00 176.35 177.24 3hq0 h PRO 113 N -0.19 0.00 0.00 1.29 0.11 -1.89 0.11 132.00 131.42 3hq0 h PRO 113 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hq0 h PRO 113 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hq0 h PRO 113 CO 0.62 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3hq0 n SER 114 N -3.33 0.00 0.00 -2.05 3.41 -1.26 -4.20 113.62 106.19 3hq0 n SER 114 Ca -0.02 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 3hq0 n SER 114 Cb 0.14 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3hq0 n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hq0 n GLY 115 N 1.02 1.49 3.79 5.00 0.00 0.37 -0.28 105.19 116.59 3hq0 n GLY 115 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3hq0 n GLY 115 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hq0 s HIS 116 N -2.45 3.66 -0.21 1.61 3.76 -1.26 -4.28 115.29 116.12 3hq0 s HIS 116 Ca 0.00 1.63 -0.19 0.00 -0.15 0.00 0.00 55.06 56.35 3hq0 s HIS 116 Cb 0.00 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.85 3hq0 s HIS 116 CO 0.00 0.25 0.53 -0.51 -0.85 0.00 0.00 174.74 174.15 3hq0 s LEU 117 N -2.06 4.13 -0.06 0.89 1.43 -1.26 -1.07 118.68 120.67 3hq0 s LEU 117 Ca 0.48 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 3hq0 s LEU 117 Cb -0.18 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 3hq0 s LEU 117 CO 0.22 -0.21 -0.12 -0.63 0.23 0.00 0.00 176.35 175.85 3hq0 s ILE 118 N 1.79 3.25 0.17 -0.59 -1.09 -0.18 -1.69 121.20 122.85 3hq0 s ILE 118 Ca 0.24 -0.65 0.11 0.00 -2.23 0.00 0.00 60.65 58.12 3hq0 s ILE 118 Cb -0.15 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3hq0 s ILE 118 CO 0.09 0.59 -0.24 -1.61 -1.23 0.00 0.00 174.94 172.55 3hq0 s GLU 119 N -0.65 1.54 -0.03 2.79 2.02 -0.23 -1.64 118.70 122.49 3hq0 s GLU 119 Ca 0.10 -1.43 0.02 0.00 0.02 0.00 0.00 54.97 53.68 3hq0 s GLU 119 Cb -0.11 -1.90 0.01 0.00 0.10 0.00 0.00 34.13 32.22 3hq0 s GLU 119 CO 0.01 0.42 -0.08 -0.51 0.02 0.00 0.00 175.26 175.12 3hq0 s LEU 120 N -2.45 1.69 0.01 1.80 1.02 -0.45 -0.40 118.68 119.91 3hq0 s LEU 120 Ca 0.19 -0.18 -0.12 0.00 0.02 0.00 0.00 54.13 54.03 3hq0 s LEU 120 Cb -0.09 -0.55 0.02 0.00 0.02 0.00 0.00 46.19 45.58 3hq0 s LEU 120 CO 0.09 0.04 0.26 -0.72 0.02 0.00 0.00 176.35 176.04 3hq0 s TYR 121 N 0.37 -0.08 -0.05 0.29 1.13 -0.59 -0.55 117.35 117.87 3hq0 s TYR 121 Ca -0.06 0.02 0.16 0.00 -1.41 0.00 0.00 57.07 55.78 3hq0 s TYR 121 Cb -0.10 0.05 -0.24 0.00 -1.10 0.00 0.00 41.96 40.57 3hq0 s TYR 121 CO 0.01 -0.41 0.28 0.00 -2.51 0.00 0.00 175.55 172.92 3hq0 n ALA 122 N 0.99 2.37 -2.54 9.51 0.00 -1.26 -0.41 120.51 129.17 3hq0 n ALA 122 Ca -0.20 -0.53 -0.24 0.00 0.00 0.00 0.00 53.44 52.47 3hq0 n ALA 122 Cb 0.57 -0.44 -0.15 0.00 0.00 0.00 0.00 19.45 19.43 3hq0 n ALA 122 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hq0 s GLU 123 N -2.95 1.29 -0.29 0.00 2.02 -1.26 -4.76 118.70 112.76 3hq0 s GLU 123 Ca -0.06 -0.57 -0.14 0.00 0.02 0.00 0.00 54.97 54.22 3hq0 s GLU 123 Cb 0.09 -1.25 0.11 0.00 0.10 0.00 0.00 34.13 33.18 3hq0 s GLU 123 CO 0.66 0.34 0.71 0.21 0.02 0.00 0.00 175.26 177.20 3hq0 s LYS 124 N -0.36 0.62 0.10 1.61 2.20 -1.26 -0.47 119.74 122.18 3hq0 s LYS 124 Ca 0.06 1.25 -0.35 0.00 -0.36 0.00 0.00 55.97 56.57 3hq0 s LYS 124 Cb -0.06 0.42 -0.15 0.00 -1.51 0.00 0.00 37.83 36.53 3hq0 s LYS 124 CO -0.01 -0.16 1.49 2.41 -0.36 0.00 0.00 175.35 178.72 3hq0 n THR 125 N 4.73 0.04 -2.81 3.43 -1.04 -0.83 -4.72 114.28 113.07 3hq0 n THR 125 Ca -0.16 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 3hq0 n THR 125 Cb 0.55 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.81 3hq0 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hq0 n VAL 127 N 5.55 0.00 0.00 0.00 0.24 0.24 -4.92 118.33 119.45 3hq0 n VAL 127 Ca 0.07 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3hq0 n VAL 127 Cb 0.47 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 3hq0 n VAL 127 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hq0 n GLY 128 N 1.43 -0.43 1.82 7.63 0.00 0.03 -4.70 105.19 110.98 3hq0 n GLY 128 Ca 0.02 -1.75 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 3hq0 n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hq0 n ASN 129 N -1.16 4.41 0.00 1.61 2.04 -1.24 -4.47 115.26 116.45 3hq0 n ASN 129 Ca 0.00 -3.75 0.00 0.00 -0.44 0.00 0.00 54.58 50.39 3hq0 n ASN 129 Cb 0.00 -0.71 0.00 0.00 -2.53 0.00 0.00 39.78 36.54 3hq0 n ASN 129 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hq0 n GLY 130 N -1.01 0.22 3.32 4.83 0.00 -1.26 -4.75 105.19 106.53 3hq0 n GLY 130 Ca 0.48 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.19 3hq0 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hq0 s ILE 131 N -1.60 2.15 0.84 -0.61 1.01 -1.26 -5.03 121.20 116.70 3hq0 s ILE 131 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.45 3hq0 s ILE 131 Cb 0.00 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.76 3hq0 s ILE 131 CO 0.00 0.58 0.76 -1.54 0.00 0.00 0.00 174.94 174.74 3hq0 n SER 132 N 2.53 -0.65 0.00 3.58 3.41 -1.26 -4.92 113.62 116.31 3hq0 n SER 132 Ca -0.16 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 3hq0 n SER 132 Cb 0.51 -1.33 0.21 0.00 -0.26 0.00 0.00 64.21 63.34 3hq0 n SER 132 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hq0 n GLU 133 N -2.17 0.00 -4.63 4.33 1.02 -1.26 -4.20 120.64 113.74 3hq0 n GLU 133 Ca 0.10 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 3hq0 n GLU 133 Cb 0.51 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.29 3hq0 n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hq0 s VAL 134 N -3.00 3.04 -1.35 2.62 0.11 -1.26 -4.62 120.40 115.93 3hq0 s VAL 134 Ca 0.11 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.45 3hq0 s VAL 134 Cb 0.17 -2.29 0.00 0.00 -1.53 0.00 0.00 36.38 32.73 3hq0 s VAL 134 CO 0.72 0.51 0.49 0.59 -3.33 0.00 0.00 175.10 174.08 3hq0 n ASN 135 N 3.75 -1.33 -4.74 3.54 3.02 -1.26 -4.87 115.26 113.37 3hq0 n ASN 135 Ca -0.18 -1.03 -0.41 0.00 -0.03 0.00 0.00 54.58 52.93 3hq0 n ASN 135 Cb 0.52 -3.02 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 3hq0 n ASN 135 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hq0 s PRO 136 N -6.51 4.35 0.84 3.52 0.04 -1.26 -4.96 135.00 131.03 3hq0 s PRO 136 Ca 0.11 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 3hq0 s PRO 136 Cb -0.04 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.44 3hq0 s PRO 136 CO 0.89 -0.29 1.09 0.00 0.04 0.00 0.00 177.00 178.73 3hq0 s ALA 137 N -0.10 1.93 -0.12 8.56 0.00 -1.26 -4.95 121.76 125.82 3hq0 s ALA 137 Ca 0.56 -0.12 0.23 0.00 0.00 0.00 0.00 51.96 52.63 3hq0 s ALA 137 Cb -0.39 -3.15 0.61 0.00 0.00 0.00 0.00 23.12 20.19 3hq0 s ALA 137 CO 0.42 -2.01 1.69 -1.00 0.00 0.00 0.00 175.76 174.85 3hq0 h PRO 138 N -1.30 0.00 -1.76 0.00 0.13 -2.01 -3.48 132.00 123.58 3hq0 h PRO 138 Ca -0.48 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 64.94 3hq0 h PRO 138 Cb 1.27 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 3hq0 h PRO 138 CO 0.57 0.18 0.76 1.67 -0.23 0.00 0.00 178.00 180.95 3hq0 s TRP 139 N -3.35 -0.04 0.13 1.56 1.48 -1.26 -5.15 118.94 112.31 3hq0 s TRP 139 Ca 0.03 -0.12 0.01 0.00 -1.06 0.00 0.00 56.10 54.97 3hq0 s TRP 139 Cb 0.08 0.58 -0.00 0.00 -1.16 0.00 0.00 33.47 32.96 3hq0 s TRP 139 CO 0.66 -0.42 0.15 0.27 -4.06 0.00 0.00 176.95 173.55 3hq0 n ASN 140 N -0.60 -0.40 -0.44 -2.66 6.94 -1.26 -5.05 115.26 111.79 3hq0 n ASN 140 Ca -0.06 -1.81 0.38 0.00 -0.02 0.00 0.00 54.58 53.07 3hq0 n ASN 140 Cb 0.62 0.83 0.73 0.00 -2.36 0.00 0.00 39.78 39.59 3hq0 n ASN 140 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hq0 h ALA 141 N 1.54 3.14 -0.18 -2.53 0.00 -2.00 -1.27 119.26 117.96 3hq0 h ALA 141 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hq0 h ALA 141 Cb 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hq0 h ALA 141 CO 0.14 -1.59 0.04 1.96 0.00 0.00 0.00 179.25 179.80 3hq0 h GLN 142 N 0.06 0.24 -0.01 0.00 4.20 -1.96 -2.00 115.11 115.65 3hq0 h GLN 142 Ca 0.70 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.39 3hq0 h GLN 142 Cb 2.59 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 30.32 3hq0 h GLN 142 CO -0.11 0.24 0.02 -0.09 -0.67 0.00 0.00 178.83 178.22 3hq0 h ARG 143 N 0.25 0.00 -0.20 1.46 2.43 -1.58 -2.00 114.38 114.73 3hq0 h ARG 143 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hq0 h ARG 143 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3hq0 h ARG 143 CO -0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 3hq0 n GLU 144 N -3.49 2.58 -3.26 0.20 1.02 -0.76 -4.70 120.64 112.24 3hq0 n GLU 144 Ca -0.03 -2.54 -0.46 0.00 -0.02 0.00 0.00 57.16 54.12 3hq0 n GLU 144 Cb 0.10 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 3hq0 n GLU 144 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3hq0 s HIS 145 N -2.37 3.19 0.00 -0.32 2.46 -0.76 -4.94 115.29 112.57 3hq0 s HIS 145 Ca 0.33 -1.22 0.00 0.00 0.47 0.00 0.00 55.06 54.65 3hq0 s HIS 145 Cb 0.26 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 3hq0 s HIS 145 CO 0.08 -1.09 0.00 0.41 -2.47 0.00 0.00 174.74 171.67 3hq0 n GLY 146 N 5.24 -1.62 0.27 1.59 0.00 -1.26 -3.78 105.19 105.64 3hq0 n GLY 146 Ca -0.12 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.61 3hq0 n GLY 146 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hq0 h ILE 147 N 0.00 0.88 -5.57 -0.61 2.04 -0.52 -3.46 117.51 110.27 3hq0 h ILE 147 Ca 0.00 -0.22 -0.20 0.00 1.00 0.00 0.00 64.86 65.43 3hq0 h ILE 147 Cb 0.00 0.17 0.12 0.00 -0.74 0.00 0.00 36.82 36.36 3hq0 h ILE 147 CO 0.00 0.12 -0.61 0.00 0.00 0.00 0.00 178.15 177.66 3hq0 n ALA 148 N -2.39 -2.51 -0.94 1.87 0.00 0.18 -4.93 120.51 111.79 3hq0 n ALA 148 Ca 0.11 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.27 3hq0 n ALA 148 Cb 0.26 -4.06 0.14 0.00 0.00 0.00 0.00 19.45 15.79 3hq0 n ALA 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hq0 s PRO 149 N -4.18 1.51 -0.02 0.00 0.04 -1.25 -4.89 135.00 126.20 3hq0 s PRO 149 Ca 0.30 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 3hq0 s PRO 149 Cb -0.05 -1.79 -0.33 0.00 0.04 0.00 0.00 34.50 32.37 3hq0 s PRO 149 CO 0.76 -2.25 0.90 0.82 0.04 0.00 0.00 177.00 177.27 3hq0 h ILE 150 N -1.45 1.36 -2.56 0.56 2.04 -0.35 -3.31 117.51 113.80 3hq0 h ILE 150 Ca -0.44 -2.59 0.03 0.00 1.00 0.00 0.00 64.86 62.86 3hq0 h ILE 150 Cb 1.26 3.09 -0.14 0.00 -0.74 0.00 0.00 36.82 40.29 3hq0 h ILE 150 CO 0.45 0.76 0.33 0.00 0.00 0.00 0.00 178.15 179.69 3hq0 s GLN 151 N -2.50 1.05 -0.30 2.37 -2.07 -1.25 -3.92 119.66 113.04 3hq0 s GLN 151 Ca -0.12 -0.30 -0.29 0.00 -1.82 0.00 0.00 55.36 52.83 3hq0 s GLN 151 Cb 0.03 0.49 -0.01 0.00 -1.09 0.00 0.00 33.01 32.43 3hq0 s GLN 151 CO 0.87 -0.44 1.43 -1.17 -1.32 0.00 0.00 175.29 174.66 3hq0 s LEU 152 N -2.40 3.81 -0.07 2.60 2.96 -1.26 -1.04 118.68 123.28 3hq0 s LEU 152 Ca 0.01 1.25 -0.09 0.00 -0.22 0.00 0.00 54.13 55.08 3hq0 s LEU 152 Cb -0.01 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.85 3hq0 s LEU 152 CO -0.08 -1.22 0.59 -0.78 -1.32 0.00 0.00 176.35 173.53 3hq0 h ASP 153 N 10.10 0.55 0.00 3.68 3.58 -0.54 -3.44 116.42 130.35 3hq0 h ASP 153 Ca -0.29 -0.91 0.00 0.00 0.42 0.00 0.00 57.03 56.25 3hq0 h ASP 153 Cb 1.12 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.99 3hq0 h ASP 153 CO 1.03 1.79 0.00 0.00 -2.88 0.00 0.00 179.24 179.18 3hq0 n HIS 154 N -3.55 0.00 -3.55 0.28 1.44 -1.21 -4.59 115.22 104.05 3hq0 n HIS 154 Ca -0.26 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.33 3hq0 n HIS 154 Cb 1.07 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 31.14 3hq0 n HIS 154 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hq0 s LEU 156 N -2.48 1.98 -0.01 0.00 0.20 0.16 -1.60 118.68 116.93 3hq0 s LEU 156 Ca -0.01 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.31 3hq0 s LEU 156 Cb 0.00 -1.32 -0.03 0.00 -0.43 0.00 0.00 46.19 44.41 3hq0 s LEU 156 CO -0.08 0.07 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.20 3hq0 s LEU 157 N 0.79 3.06 -0.27 -0.68 1.02 0.65 -1.56 118.68 121.68 3hq0 s LEU 157 Ca -0.09 -0.16 -0.08 0.00 0.02 0.00 0.00 54.13 53.82 3hq0 s LEU 157 Cb -0.16 -1.73 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 3hq0 s LEU 157 CO -0.00 0.30 0.10 -0.31 0.02 0.00 0.00 176.35 176.46 3hq0 s TYR 158 N -0.93 3.13 0.14 0.29 1.51 0.12 -1.04 117.35 120.58 3hq0 s TYR 158 Ca 0.15 -0.50 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 3hq0 s TYR 158 Cb -0.11 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.48 3hq0 s TYR 158 CO 0.05 -0.40 0.41 0.20 -1.11 0.00 0.00 175.55 174.70 3hq0 s GLY 159 N 1.61 -0.13 0.15 0.71 0.00 -0.86 -1.89 107.32 106.91 3hq0 s GLY 159 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 44.72 44.47 3hq0 s GLY 159 CO 0.05 -0.38 1.46 -0.56 0.00 0.00 0.00 173.10 173.66 3hq0 h PRO 160 N 2.36 0.82 -2.14 2.90 0.13 -0.47 0.69 132.00 136.29 3hq0 h PRO 160 Ca -0.32 -0.48 -0.68 0.00 -0.87 0.00 0.00 66.00 63.65 3hq0 h PRO 160 Cb 1.25 0.04 -0.36 0.00 0.13 0.00 0.00 31.00 32.06 3hq0 h PRO 160 CO 0.45 1.12 0.03 0.09 -0.23 0.00 0.00 178.00 179.46 3hq0 n ASN 161 N -4.02 5.71 -0.30 1.44 3.02 -1.26 -4.65 115.26 115.21 3hq0 n ASN 161 Ca -0.03 -3.71 0.09 0.00 -0.03 0.00 0.00 54.58 50.90 3hq0 n ASN 161 Cb 0.59 -0.78 0.25 0.00 -0.61 0.00 0.00 39.78 39.23 3hq0 n ASN 161 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3hq0 h ILE 162 N 2.59 0.65 -0.35 2.41 1.08 -1.93 -2.02 117.51 119.93 3hq0 h ILE 162 Ca 0.32 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.68 3hq0 h ILE 162 Cb 0.46 0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.17 3hq0 h ILE 162 CO 1.00 0.10 -0.25 0.00 -0.69 0.00 0.00 178.15 178.31 3hq0 h ALA 163 N 1.60 -0.05 0.00 1.87 0.00 -1.88 0.74 119.26 121.55 3hq0 h ALA 163 Ca 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 3hq0 h ALA 163 Cb 0.78 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3hq0 h ALA 163 CO -0.41 -0.64 -0.25 1.05 0.00 0.00 0.00 179.25 179.00 3hq0 h GLU 164 N -0.20 0.00 -0.45 0.00 9.09 -1.84 -2.95 114.58 118.24 3hq0 h GLU 164 Ca 0.17 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.47 3hq0 h GLU 164 Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 3hq0 h GLU 164 CO -0.47 0.25 -0.17 0.28 0.05 0.00 0.00 179.01 178.95 3hq0 h VAL 165 N 0.00 1.27 -0.31 -1.06 2.07 -0.33 -2.60 116.25 115.29 3hq0 h VAL 165 Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3hq0 h VAL 165 Cb 0.82 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3hq0 h VAL 165 CO 0.03 0.44 0.20 -0.61 0.02 0.00 0.00 177.57 177.65 3hq0 h GLN 166 N 0.76 0.41 -0.18 1.57 4.15 -0.77 -2.50 115.11 118.55 3hq0 h GLN 166 Ca 0.11 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.55 3hq0 h GLN 166 Cb 0.69 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 3hq0 h GLN 166 CO 0.05 0.28 -0.13 0.87 -1.93 0.00 0.00 178.83 177.97 3hq0 h LYS 167 N 0.41 -0.13 -0.29 1.69 1.79 -1.47 0.79 116.57 119.36 3hq0 h LYS 167 Ca 0.11 0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.65 3hq0 h LYS 167 Cb -0.03 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 3hq0 h LYS 167 CO -0.02 -0.09 -0.05 0.82 -1.08 0.00 0.00 179.45 179.03 3hq0 h ILE 168 N -0.14 0.73 -0.48 1.86 2.04 -1.31 0.28 117.51 120.49 3hq0 h ILE 168 Ca 0.11 -0.01 -0.11 0.00 1.00 0.00 0.00 64.86 65.85 3hq0 h ILE 168 Cb 0.29 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3hq0 h ILE 168 CO -0.26 0.00 -0.14 -0.26 0.00 0.00 0.00 178.15 177.50 3hq0 h PHE 169 N 0.02 1.07 0.04 1.37 -1.00 -0.98 0.19 116.94 117.65 3hq0 h PHE 169 Ca 0.14 -0.24 -0.26 0.00 2.81 0.00 0.00 57.97 60.43 3hq0 h PHE 169 Cb 0.21 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 3hq0 h PHE 169 CO -0.26 1.03 -1.30 1.79 -1.61 0.00 0.00 178.31 177.96 3hq0 h THR 170 N 0.80 1.38 0.00 -1.55 1.35 -0.70 -0.92 112.91 113.26 3hq0 h THR 170 Ca 0.12 -3.09 -0.03 0.00 -0.55 0.00 0.00 66.41 62.86 3hq0 h THR 170 Cb 0.70 2.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.86 3hq0 h THR 170 CO 0.05 0.82 -1.49 -0.62 -0.25 0.00 0.00 175.52 174.04 3hq0 n GLU 171 N -3.32 0.63 -0.03 4.72 1.02 0.98 -4.20 120.64 120.44 3hq0 n GLU 171 Ca -0.08 -0.01 -0.05 0.00 -0.02 0.00 0.00 57.16 57.00 3hq0 n GLU 171 Cb 1.00 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.70 3hq0 n GLU 171 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hq0 n VAL 172 N -2.53 0.36 1.39 2.62 0.31 0.01 -4.79 118.33 115.71 3hq0 n VAL 172 Ca -0.03 -0.13 0.14 0.00 -0.01 0.00 0.00 64.34 64.30 3hq0 n VAL 172 Cb 0.60 -0.90 0.43 0.00 -0.91 0.00 0.00 33.84 33.07 3hq0 n VAL 172 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hq0 n LEU 173 N -2.81 1.69 -0.84 7.52 4.32 -0.96 -4.96 117.00 120.95 3hq0 n LEU 173 Ca -0.12 -0.56 -0.08 0.00 -0.02 0.00 0.00 56.01 55.24 3hq0 n LEU 173 Cb 0.61 -0.01 -0.01 0.00 -1.62 0.00 0.00 43.42 42.39 3hq0 n LEU 173 CO 0.05 0.28 -0.10 0.61 -1.22 0.00 0.00 177.39 177.02 3hq0 n GLY 174 N 1.22 0.31 3.99 -0.72 0.00 -0.97 -4.43 105.19 104.60 3hq0 n GLY 174 Ca 0.17 -0.58 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 3hq0 n GLY 174 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hq0 s PHE 175 N -2.38 2.38 0.03 1.61 0.40 -0.39 -4.72 117.98 114.91 3hq0 s PHE 175 Ca 0.00 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 55.98 3hq0 s PHE 175 Cb 0.00 -2.65 0.01 0.00 0.51 0.00 0.00 43.02 40.89 3hq0 s PHE 175 CO 0.00 -0.99 0.22 1.52 0.70 0.00 0.00 175.22 176.67 3hq0 s TYR 176 N -2.74 -0.01 -0.06 0.36 -0.85 -0.26 -4.25 117.35 109.55 3hq0 s TYR 176 Ca 0.59 -0.13 -0.30 0.00 -0.52 0.00 0.00 57.07 56.71 3hq0 s TYR 176 Cb -0.09 0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.23 3hq0 s TYR 176 CO 0.39 -0.41 1.16 -0.51 -1.52 0.00 0.00 175.55 174.66 3hq0 s LEU 177 N -1.85 4.28 -0.24 -3.49 1.43 -1.26 -1.58 118.68 115.96 3hq0 s LEU 177 Ca -0.08 1.77 -0.06 0.00 -1.03 0.00 0.00 54.13 54.73 3hq0 s LEU 177 Cb -0.03 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.50 3hq0 s LEU 177 CO -0.02 -0.55 -0.27 0.52 0.23 0.00 0.00 176.35 176.26 3hq0 n VAL 178 N 4.57 1.37 -3.96 -1.59 0.31 0.10 -3.84 118.33 115.28 3hq0 n VAL 178 Ca 0.10 -0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 63.92 3hq0 n VAL 178 Cb 0.47 -1.61 -0.09 0.00 -0.91 0.00 0.00 33.84 31.70 3hq0 n VAL 178 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3hq0 s GLU 179 N -2.47 0.69 0.15 5.55 2.02 -1.14 0.04 118.70 123.54 3hq0 s GLU 179 Ca -0.34 -0.99 -0.17 0.00 0.02 0.00 0.00 54.97 53.49 3hq0 s GLU 179 Cb 0.11 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.64 3hq0 s GLU 179 CO 0.49 -0.18 0.46 -0.98 0.02 0.00 0.00 175.26 175.07 3hq0 s ARG 180 N -3.52 1.19 -0.10 1.61 1.70 -0.76 -0.77 118.95 118.30 3hq0 s ARG 180 Ca 0.03 -0.73 0.03 0.00 -0.47 0.00 0.00 55.73 54.58 3hq0 s ARG 180 Cb 0.04 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.91 3hq0 s ARG 180 CO -0.09 -0.49 -0.18 0.08 -1.08 0.00 0.00 175.30 173.54 3hq0 s VAL 181 N -3.82 2.60 0.38 4.99 1.01 -0.65 -0.95 120.40 123.95 3hq0 s VAL 181 Ca 0.05 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 3hq0 s VAL 181 Cb 0.01 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 3hq0 s VAL 181 CO -0.09 0.55 0.73 -0.76 0.00 0.00 0.00 175.10 175.53 3hq0 s LEU 182 N 0.13 3.89 0.92 3.92 1.02 0.17 -0.05 118.68 128.67 3hq0 s LEU 182 Ca -0.09 1.08 -0.14 0.00 0.02 0.00 0.00 54.13 54.99 3hq0 s LEU 182 Cb -0.16 -3.95 0.15 0.00 0.02 0.00 0.00 46.19 42.26 3hq0 s LEU 182 CO 0.06 -0.35 1.24 -0.94 0.02 0.00 0.00 176.35 176.38 3hq0 s SER 183 N -3.08 3.53 -1.06 2.29 1.04 -0.73 -2.46 113.70 113.24 3hq0 s SER 183 Ca 0.50 0.55 -0.26 0.00 0.48 0.00 0.00 55.95 57.22 3hq0 s SER 183 Cb -0.10 -0.82 -0.21 0.00 0.10 0.00 0.00 66.02 64.99 3hq0 s SER 183 CO 0.30 -2.50 2.14 -2.84 0.98 0.00 0.00 173.24 171.32 3hq0 s PRO 184 N -5.68 1.31 0.00 4.02 0.02 -1.26 -4.03 135.00 129.38 3hq0 s PRO 184 Ca 0.68 -0.38 0.00 0.00 0.02 0.00 0.00 61.00 61.33 3hq0 s PRO 184 Cb -0.08 -4.98 0.00 0.00 0.02 0.00 0.00 34.50 29.46 3hq0 s PRO 184 CO 0.52 -5.29 0.00 -3.47 -0.33 0.00 0.00 177.00 168.43 3hq0 n ASP 185 N 19.22 0.00 -0.02 2.53 4.64 -1.26 -4.55 116.55 137.12 3hq0 n ASP 185 Ca 0.42 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.83 3hq0 n ASP 185 Cb 0.46 -0.14 0.00 0.00 -1.04 0.00 0.00 41.12 40.40 3hq0 n ASP 185 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3hq0 n GLY 186 N -0.29 -0.15 1.51 0.27 0.00 -1.26 -4.84 105.19 100.45 3hq0 n GLY 186 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hq0 n GLY 186 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hq0 n ASP 187 N -0.47 -1.28 -3.67 1.61 9.92 -1.26 -4.90 116.55 116.50 3hq0 n ASP 187 Ca 0.00 -0.02 -0.14 0.00 -0.53 0.00 0.00 54.79 54.10 3hq0 n ASP 187 Cb 0.00 -0.36 -0.14 0.00 -0.64 0.00 0.00 41.12 39.98 3hq0 n ASP 187 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3hq0 s SER 188 N -0.32 0.35 -0.46 -2.24 0.01 -1.26 -4.90 113.70 104.89 3hq0 s SER 188 Ca 0.08 0.55 -0.31 0.00 1.31 0.00 0.00 55.95 57.58 3hq0 s SER 188 Cb -0.01 0.61 -0.10 0.00 0.21 0.00 0.00 66.02 66.73 3hq0 s SER 188 CO 0.17 -0.23 2.34 0.47 0.41 0.00 0.00 173.24 176.40 3hq0 n ASP 189 N 5.24 2.13 0.28 2.44 8.00 -1.26 -1.77 116.55 131.60 3hq0 n ASP 189 Ca -0.08 0.05 0.16 0.00 0.71 0.00 0.00 54.79 55.64 3hq0 n ASP 189 Cb 0.50 -1.37 0.74 0.00 -0.02 0.00 0.00 41.12 40.97 3hq0 n ASP 189 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3hq0 h MET 190 N 15.09 0.00 -2.52 -1.24 2.86 -0.71 -3.45 114.93 124.96 3hq0 h MET 190 Ca -0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 3hq0 h MET 190 Cb 1.29 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.76 3hq0 h MET 190 CO 1.10 0.05 -0.00 0.20 1.06 0.00 0.00 176.91 179.32 3hq0 s GLY 191 N -4.19 -0.40 0.02 8.32 0.00 -1.21 -0.07 107.32 109.78 3hq0 s GLY 191 Ca -0.00 0.82 0.01 0.00 0.00 0.00 0.00 44.72 45.54 3hq0 s GLY 191 CO 0.54 0.52 -0.04 -0.26 0.00 0.00 0.00 173.10 173.87 3hq0 s ILE 192 N -1.52 0.25 -0.23 0.90 -4.36 0.11 -1.64 121.20 114.71 3hq0 s ILE 192 Ca -0.11 -0.60 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 3hq0 s ILE 192 Cb -0.02 -0.30 0.05 0.00 1.25 0.00 0.00 42.46 43.44 3hq0 s ILE 192 CO 0.05 -0.23 -0.11 0.26 0.24 0.00 0.00 174.94 175.15 3hq0 s TRP 193 N -0.84 2.93 0.03 1.37 0.51 0.05 -1.10 118.94 121.88 3hq0 s TRP 193 Ca -0.07 -2.02 0.04 0.00 -2.12 0.00 0.00 56.10 51.92 3hq0 s TRP 193 Cb -0.06 -1.83 -0.03 0.00 -0.81 0.00 0.00 33.47 30.74 3hq0 s TRP 193 CO -0.00 -0.83 -0.07 -0.51 -0.51 0.00 0.00 176.95 175.02 3hq0 s LEU 194 N 1.22 3.15 0.10 2.99 1.43 -0.52 -0.72 118.68 126.32 3hq0 s LEU 194 Ca -0.05 -0.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3hq0 s LEU 194 Cb -0.18 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3hq0 s LEU 194 CO -0.07 0.26 -0.17 -0.55 0.23 0.00 0.00 176.35 176.05 3hq0 s SER 195 N -1.60 2.11 -0.09 2.29 0.15 -0.62 -0.31 113.70 115.63 3hq0 s SER 195 Ca 0.18 -0.69 0.16 0.00 0.70 0.00 0.00 55.95 56.30 3hq0 s SER 195 Cb -0.11 -0.09 0.34 0.00 -1.71 0.00 0.00 66.02 64.44 3hq0 s SER 195 CO 0.09 -0.03 1.16 0.00 1.20 0.00 0.00 173.24 175.66 3hq0 n SER 197 N -0.44 2.63 -0.58 0.00 3.41 -1.26 -4.75 113.62 112.63 3hq0 n SER 197 Ca 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.78 3hq0 n SER 197 Cb 0.84 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.98 3hq0 n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hq0 n HIS 198 N 0.00 0.28 -3.15 7.33 1.44 -1.26 -4.58 115.22 115.29 3hq0 n HIS 198 Ca 0.00 -1.32 -0.26 0.00 -2.01 0.00 0.00 57.72 54.13 3hq0 n HIS 198 Cb 0.00 -0.27 -0.01 0.00 0.12 0.00 0.00 29.99 29.83 3hq0 n HIS 198 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hq0 s LYS 199 N -3.10 3.52 0.35 -1.40 1.02 -1.26 -3.30 119.74 115.56 3hq0 s LYS 199 Ca 0.38 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.27 3hq0 s LYS 199 Cb 0.35 -2.57 0.63 0.00 -0.52 0.00 0.00 37.83 35.71 3hq0 s LYS 199 CO -0.02 0.05 1.98 -0.39 -0.92 0.00 0.00 175.35 176.05 3hq0 h VAL 200 N 0.68 1.17 -1.55 3.17 -1.51 -1.92 -3.42 116.25 112.86 3hq0 h VAL 200 Ca -0.49 -0.40 0.08 0.00 -1.23 0.00 0.00 66.70 64.66 3hq0 h VAL 200 Cb 1.21 0.39 -0.27 0.00 -2.13 0.00 0.00 31.29 30.49 3hq0 h VAL 200 CO 0.62 0.18 0.47 -1.38 -1.23 0.00 0.00 177.57 176.23 3hq0 s HIS 201 N -5.56 -0.47 -0.39 5.19 0.00 -1.26 -4.53 115.29 108.27 3hq0 s HIS 201 Ca -0.10 1.09 0.22 0.00 -3.00 0.00 0.00 55.06 53.27 3hq0 s HIS 201 Cb 0.17 0.37 -0.26 0.00 -4.00 0.00 0.00 32.58 28.86 3hq0 s HIS 201 CO 0.77 -0.23 0.68 -0.25 -1.00 0.00 0.00 174.74 174.70 3hq0 n ASP 202 N 2.48 0.39 -3.55 7.38 8.00 0.58 -4.72 116.55 127.12 3hq0 n ASP 202 Ca -0.14 -0.32 -0.10 0.00 0.71 0.00 0.00 54.79 54.95 3hq0 n ASP 202 Cb 0.56 1.54 -0.04 0.00 -0.02 0.00 0.00 41.12 43.16 3hq0 n ASP 202 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hq0 s ILE 203 N -3.33 0.00 0.02 0.53 2.07 -1.04 -4.20 121.20 115.26 3hq0 s ILE 203 Ca -0.02 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.17 3hq0 s ILE 203 Cb 0.15 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 3hq0 s ILE 203 CO 0.88 0.00 0.09 0.00 -1.91 0.00 0.00 174.94 174.01 3hq0 s ALA 204 N -1.88 -0.12 -0.01 1.50 0.00 -0.63 -1.44 121.76 119.18 3hq0 s ALA 204 Ca 0.01 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3hq0 s ALA 204 Cb -0.01 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 3hq0 s ALA 204 CO -0.02 -0.26 -0.09 -0.06 0.00 0.00 0.00 175.76 175.32 3hq0 s PHE 205 N -2.07 0.87 -0.07 0.00 0.40 -0.26 -0.25 117.98 116.59 3hq0 s PHE 205 Ca -0.10 -0.17 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 3hq0 s PHE 205 Cb -0.04 -0.57 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 3hq0 s PHE 205 CO -0.02 -0.03 -0.23 0.08 0.70 0.00 0.00 175.22 175.72 3hq0 s VAL 206 N -0.17 1.96 0.07 -0.44 1.01 -0.21 0.08 120.40 122.71 3hq0 s VAL 206 Ca 0.03 -0.99 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 3hq0 s VAL 206 Cb -0.04 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 3hq0 s VAL 206 CO -0.00 0.54 1.79 -0.70 0.00 0.00 0.00 175.10 176.73 3hq0 s GLU 207 N 0.06 4.16 -0.06 2.72 2.56 0.89 -2.03 118.70 127.01 3hq0 s GLU 207 Ca -0.09 2.48 -0.11 0.00 0.00 0.00 0.00 54.97 57.24 3hq0 s GLU 207 Cb -0.15 -3.76 0.02 0.00 2.00 0.00 0.00 34.13 32.24 3hq0 s GLU 207 CO 0.05 -0.83 0.26 -0.47 -0.56 0.00 0.00 175.26 173.71 3hq0 s TYR 208 N 3.20 -0.20 0.17 5.30 5.04 0.24 -4.81 117.35 126.29 3hq0 s TYR 208 Ca 0.80 0.43 -0.14 0.00 -2.44 0.00 0.00 57.07 55.71 3hq0 s TYR 208 Cb -0.42 0.07 0.06 0.00 0.35 0.00 0.00 41.96 42.03 3hq0 s TYR 208 CO 0.35 -0.25 1.83 -1.35 -1.34 0.00 0.00 175.55 174.80 3hq0 h PRO 209 N 4.85 0.66 -6.01 4.97 0.11 -1.92 0.35 132.00 135.01 3hq0 h PRO 209 Ca -0.28 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.22 3hq0 h PRO 209 Cb 1.19 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 3hq0 h PRO 209 CO 0.37 0.44 0.21 -1.21 -0.21 0.00 0.00 178.00 177.59 3hq0 s GLU 210 N -6.15 4.39 0.57 1.05 2.02 -1.26 -4.57 118.70 114.74 3hq0 s GLU 210 Ca -0.13 0.95 -0.10 0.00 0.02 0.00 0.00 54.97 55.71 3hq0 s GLU 210 Cb 0.12 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 3hq0 s GLU 210 CO 0.74 -0.09 0.96 -1.59 0.02 0.00 0.00 175.26 175.30 3hq0 s LYS 211 N 1.32 3.62 -0.33 1.61 -2.85 -1.26 -4.24 119.74 117.61 3hq0 s LYS 211 Ca 0.38 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 3hq0 s LYS 211 Cb -0.17 -2.17 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 3hq0 s LYS 211 CO 0.17 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.59 3hq0 n GLY 212 N -2.47 0.56 3.78 0.59 0.00 0.61 -4.91 105.19 103.34 3hq0 n GLY 212 Ca 0.05 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 3hq0 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hq0 s LYS 213 N -1.52 4.56 -0.30 1.61 -0.14 -0.79 -4.69 119.74 118.48 3hq0 s LYS 213 Ca 0.00 1.25 -0.08 0.00 -1.36 0.00 0.00 55.97 55.78 3hq0 s LYS 213 Cb 0.00 -2.93 -0.00 0.00 -1.68 0.00 0.00 37.83 33.22 3hq0 s LYS 213 CO 0.00 0.36 0.11 -1.17 -0.76 0.00 0.00 175.35 173.90 3hq0 s LEU 214 N -1.83 3.92 -0.12 3.17 1.98 -1.26 -0.70 118.68 123.84 3hq0 s LEU 214 Ca 0.46 -0.55 -0.26 0.00 -2.89 0.00 0.00 54.13 50.90 3hq0 s LEU 214 Cb -0.20 -1.95 -0.23 0.00 0.66 0.00 0.00 46.19 44.48 3hq0 s LEU 214 CO 0.25 -0.17 0.76 -0.74 -1.89 0.00 0.00 176.35 174.56 3hq0 h HIS 215 N 8.29 -0.01 -1.42 5.38 -0.00 -1.62 -3.45 115.15 122.32 3hq0 h HIS 215 Ca -0.33 -0.00 0.18 0.00 -0.00 0.00 0.00 60.37 60.22 3hq0 h HIS 215 Cb 1.14 0.00 -0.23 0.00 -0.00 0.00 0.00 27.41 28.33 3hq0 h HIS 215 CO 0.63 0.82 0.75 -3.38 -0.00 0.00 0.00 177.93 176.75 3hq0 s HIS 216 N -2.44 -0.20 -0.09 5.26 -3.43 -1.08 -4.25 115.29 109.06 3hq0 s HIS 216 Ca -0.17 0.27 -0.05 0.00 -0.80 0.00 0.00 55.06 54.32 3hq0 s HIS 216 Cb -0.02 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.58 3hq0 s HIS 216 CO 0.62 -0.22 0.10 0.00 -2.00 0.00 0.00 174.74 173.24 3hq0 s SER 218 N -1.13 4.23 -0.06 0.00 0.15 0.55 -1.09 113.70 116.35 3hq0 s SER 218 Ca 0.16 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.71 3hq0 s SER 218 Cb -0.12 -1.06 -0.01 0.00 -1.71 0.00 0.00 66.02 63.12 3hq0 s SER 218 CO 0.06 0.32 -0.24 -0.36 1.20 0.00 0.00 173.24 174.22 3hq0 s PHE 219 N -0.60 2.47 0.03 3.44 0.40 0.14 0.25 117.98 124.11 3hq0 s PHE 219 Ca 0.09 -0.71 -0.21 0.00 -0.60 0.00 0.00 56.93 55.50 3hq0 s PHE 219 Cb -0.11 -1.62 -0.06 0.00 0.51 0.00 0.00 43.02 41.74 3hq0 s PHE 219 CO 0.01 -0.21 0.61 -1.17 0.70 0.00 0.00 175.22 175.16 3hq0 s LEU 220 N -0.15 4.46 0.33 -0.37 2.96 -0.21 -1.94 118.68 123.77 3hq0 s LEU 220 Ca -0.04 1.24 0.09 0.00 -0.22 0.00 0.00 54.13 55.20 3hq0 s LEU 220 Cb -0.14 -2.96 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 3hq0 s LEU 220 CO 0.04 0.16 0.09 -0.76 -1.32 0.00 0.00 176.35 174.55 3hq0 s LEU 221 N -0.52 3.20 0.03 -0.68 1.02 0.27 0.47 118.68 122.46 3hq0 s LEU 221 Ca 0.31 -0.79 -0.18 0.00 0.02 0.00 0.00 54.13 53.48 3hq0 s LEU 221 Cb -0.19 -1.66 -0.20 0.00 0.02 0.00 0.00 46.19 44.16 3hq0 s LEU 221 CO 0.19 -0.23 1.18 -0.33 0.02 0.00 0.00 176.35 177.17 3hq0 h GLU 222 N 1.66 0.49 -4.14 1.70 4.39 -1.95 -3.41 114.58 113.33 3hq0 h GLU 222 Ca -0.44 -0.45 -0.24 0.00 0.34 0.00 0.00 59.36 58.58 3hq0 h GLU 222 Cb 1.25 0.11 -0.10 0.00 -0.10 0.00 0.00 28.75 29.91 3hq0 h GLU 222 CO 0.63 1.08 -0.25 -1.54 -1.16 0.00 0.00 179.01 177.77 3hq0 s SER 223 N -6.73 0.64 0.36 1.42 1.04 -1.26 -4.96 113.70 104.20 3hq0 s SER 223 Ca -0.13 -1.37 0.09 0.00 0.48 0.00 0.00 55.95 55.03 3hq0 s SER 223 Cb 0.05 0.60 0.68 0.00 0.10 0.00 0.00 66.02 67.45 3hq0 s SER 223 CO 0.83 -1.18 1.84 -0.25 0.98 0.00 0.00 173.24 175.45 3hq0 h TRP 224 N 2.22 0.22 0.00 5.02 -0.00 -1.94 -1.39 115.95 120.07 3hq0 h TRP 224 Ca -0.29 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.89 58.50 3hq0 h TRP 224 Cb 1.24 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 30.34 3hq0 h TRP 224 CO 1.10 0.44 -0.31 0.93 -0.00 0.00 0.00 178.44 180.61 3hq0 h GLU 225 N 0.19 0.00 0.00 2.65 5.08 -1.99 -1.92 114.58 118.59 3hq0 h GLU 225 Ca 0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3hq0 h GLU 225 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3hq0 h GLU 225 CO 0.04 0.31 -0.71 1.96 -1.00 0.00 0.00 179.01 179.61 3hq0 h GLN 226 N 0.00 0.00 -0.43 2.33 1.08 -1.65 -0.35 115.11 116.09 3hq0 h GLN 226 Ca -0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 3hq0 h GLN 226 Cb 0.73 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 3hq0 h GLN 226 CO 0.04 0.71 -0.28 0.28 -0.95 0.00 0.00 178.83 178.62 3hq0 h VAL 227 N 0.00 1.27 -0.13 -0.54 2.07 -1.10 -0.02 116.25 117.80 3hq0 h VAL 227 Ca -0.01 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.06 3hq0 h VAL 227 Cb 1.27 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 3hq0 h VAL 227 CO 0.09 0.49 0.07 0.25 0.02 0.00 0.00 177.57 178.49 3hq0 h LEU 228 N 0.79 0.17 -0.83 2.57 5.85 -1.11 -1.61 115.31 121.15 3hq0 h LEU 228 Ca 0.09 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hq0 h LEU 228 Cb 0.86 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3hq0 h LEU 228 CO 0.08 0.24 0.54 -0.09 -0.34 0.00 0.00 178.44 178.87 3hq0 h ARG 229 N 0.09 1.06 -1.00 1.25 2.43 -0.87 -1.68 114.38 115.66 3hq0 h ARG 229 Ca 0.05 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3hq0 h ARG 229 Cb 0.11 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.36 3hq0 h ARG 229 CO -0.01 0.70 0.65 0.00 -1.51 0.00 0.00 179.97 179.81 3hq0 h ALA 230 N 1.32 1.39 -0.75 2.80 0.00 -0.67 -1.09 119.26 122.25 3hq0 h ALA 230 Ca 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3hq0 h ALA 230 Cb -0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3hq0 h ALA 230 CO -0.08 0.47 0.29 0.78 0.00 0.00 0.00 179.25 180.71 3hq0 h GLY 231 N 1.20 1.21 1.34 0.00 0.00 -0.38 -0.34 103.07 106.09 3hq0 h GLY 231 Ca 0.42 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 47.00 3hq0 h GLY 231 CO -0.16 0.62 -0.13 -0.55 0.00 0.00 0.00 176.54 176.32 3hq0 h ASP 232 N 1.10 0.77 0.22 0.19 3.32 -0.78 -0.78 116.42 120.46 3hq0 h ASP 232 Ca 0.25 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 3hq0 h ASP 232 Cb 0.22 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3hq0 h ASP 232 CO -0.02 0.92 -0.55 0.40 -1.72 0.00 0.00 179.24 178.27 3hq0 h ILE 233 N 0.70 1.35 -0.22 0.35 2.04 -0.93 -0.51 117.51 120.30 3hq0 h ILE 233 Ca 0.11 -1.84 -0.04 0.00 1.00 0.00 0.00 64.86 64.10 3hq0 h ILE 233 Cb 0.62 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3hq0 h ILE 233 CO 0.04 0.55 -0.01 0.24 0.00 0.00 0.00 178.15 178.98 3hq0 h MET 234 N 0.27 0.39 -0.54 2.37 2.86 -0.74 -2.17 114.93 117.38 3hq0 h MET 234 Ca 0.00 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3hq0 h MET 234 Cb 1.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.66 3hq0 h MET 234 CO 0.09 0.59 0.31 1.03 1.06 0.00 0.00 176.91 180.00 3hq0 h SER 235 N 0.14 0.65 0.47 1.22 0.87 -1.02 -0.28 113.55 115.61 3hq0 h SER 235 Ca 0.06 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 3hq0 h SER 235 Cb 0.42 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3hq0 h SER 235 CO 0.01 0.53 -0.19 -0.03 -0.53 0.00 0.00 176.83 176.63 3hq0 h MET 236 N 0.72 0.00 -0.65 2.24 -1.53 -1.02 -2.59 114.93 112.09 3hq0 h MET 236 Ca 0.19 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 3hq0 h MET 236 Cb 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 3hq0 h MET 236 CO -0.03 0.19 0.00 0.09 0.14 0.00 0.00 176.91 177.29 3hq0 n ASN 237 N -3.69 3.82 -1.52 1.39 4.13 -0.82 -4.95 115.26 113.62 3hq0 n ASN 237 Ca -0.01 -2.00 -0.15 0.00 1.68 0.00 0.00 54.58 54.10 3hq0 n ASN 237 Cb 0.31 -0.43 -0.03 0.00 -1.54 0.00 0.00 39.78 38.09 3hq0 n ASN 237 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hq0 n GLU 238 N 1.61 -1.15 -2.10 3.52 -0.58 -0.82 -4.96 120.64 116.16 3hq0 n GLU 238 Ca 0.23 0.84 -0.42 0.00 -0.42 0.00 0.00 57.16 57.40 3hq0 n GLU 238 Cb 0.62 -5.11 -0.03 0.00 -0.57 0.00 0.00 31.44 26.35 3hq0 n GLU 238 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hq0 s VAL 239 N -2.68 2.96 -0.41 2.62 1.01 -0.18 -4.94 120.40 118.77 3hq0 s VAL 239 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.45 3hq0 s VAL 239 Cb 0.00 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3hq0 s VAL 239 CO 0.00 0.09 1.48 0.20 0.00 0.00 0.00 175.10 176.87 3hq0 s ASN 240 N 0.65 6.23 0.02 3.32 0.02 -1.26 -4.76 114.94 119.17 3hq0 s ASN 240 Ca 0.61 0.85 -0.18 0.00 -1.02 0.00 0.00 52.86 53.12 3hq0 s ASN 240 Cb -0.39 -2.54 -0.06 0.00 0.02 0.00 0.00 41.25 38.28 3hq0 s ASN 240 CO 0.37 -1.51 0.51 -0.69 0.02 0.00 0.00 177.10 175.80 3hq0 s VAL 241 N 5.76 4.91 -0.02 1.60 1.01 -1.26 -0.41 120.40 131.98 3hq0 s VAL 241 Ca 0.63 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.67 3hq0 s VAL 241 Cb -0.15 -3.83 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 3hq0 s VAL 241 CO 0.32 0.52 -0.02 -0.78 0.00 0.00 0.00 175.10 175.14 3hq0 h ASP 242 N 5.00 0.00 -3.37 3.32 1.82 -0.52 -3.47 116.42 119.20 3hq0 h ASP 242 Ca -0.49 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.61 3hq0 h ASP 242 Cb 1.21 0.00 -0.39 0.00 0.68 0.00 0.00 39.33 40.83 3hq0 h ASP 242 CO 0.65 0.13 -0.78 -0.51 -1.61 0.00 0.00 179.24 177.12 3hq0 s ILE 243 N -1.18 0.88 0.68 2.25 1.10 -1.11 -5.00 121.20 118.82 3hq0 s ILE 243 Ca -0.02 -0.69 -0.07 0.00 -0.51 0.00 0.00 60.65 59.37 3hq0 s ILE 243 Cb 0.00 -1.24 0.01 0.00 0.15 0.00 0.00 42.46 41.39 3hq0 s ILE 243 CO 0.02 -0.08 -0.14 0.61 -2.11 0.00 0.00 174.94 173.25 3hq0 n GLY 244 N 4.93 -1.59 3.73 1.50 0.00 -1.26 -2.58 105.19 109.91 3hq0 n GLY 244 Ca -0.10 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3hq0 n GLY 244 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hq0 s PRO 245 N -2.33 4.18 -0.06 1.61 0.04 -1.25 -4.53 135.00 132.66 3hq0 s PRO 245 Ca 0.13 2.47 -0.31 0.00 0.04 0.00 0.00 61.00 63.32 3hq0 s PRO 245 Cb 0.00 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.57 3hq0 s PRO 245 CO 0.16 -0.60 1.13 -0.08 0.04 0.00 0.00 177.00 177.65 3hq0 s THR 246 N 0.52 0.00 0.11 1.26 -1.32 -0.63 -4.97 115.64 110.61 3hq0 s THR 246 Ca 0.66 -0.15 -0.30 0.00 -1.21 0.00 0.00 61.69 60.70 3hq0 s THR 246 Cb -0.46 -1.39 -0.06 0.00 -1.51 0.00 0.00 72.50 69.08 3hq0 s THR 246 CO 0.40 0.00 0.99 -0.60 -2.21 0.00 0.00 174.62 173.19 3hq0 s ARG 247 N -2.68 4.67 -0.23 7.08 6.06 -1.26 -1.07 118.95 131.51 3hq0 s ARG 247 Ca 0.10 1.49 -0.09 0.00 -2.50 0.00 0.00 55.73 54.73 3hq0 s ARG 247 Cb 0.00 -3.37 -0.05 0.00 0.06 0.00 0.00 34.95 31.60 3hq0 s ARG 247 CO -0.04 0.16 0.13 -1.58 -2.50 0.00 0.00 175.30 171.47 3hq0 s HIS 248 N 0.07 3.27 0.06 5.12 2.46 0.62 -4.95 115.29 121.94 3hq0 s HIS 248 Ca 0.48 0.12 -0.17 0.00 0.47 0.00 0.00 55.06 55.96 3hq0 s HIS 248 Cb -0.24 -2.23 -0.06 0.00 -0.13 0.00 0.00 32.58 29.92 3hq0 s HIS 248 CO 0.30 0.04 1.28 0.78 -2.47 0.00 0.00 174.74 174.67 3hq0 h GLY 249 N 7.43 -1.35 -4.67 1.59 0.00 -1.95 -2.76 103.07 101.36 3hq0 h GLY 249 Ca -0.38 0.69 -0.53 0.00 0.00 0.00 0.00 47.33 47.11 3hq0 h GLY 249 CO 0.66 -0.40 0.86 0.54 0.00 0.00 0.00 176.54 178.20 3hq0 s VAL 250 N -4.37 2.93 0.00 4.60 0.11 -1.26 -2.67 120.40 119.74 3hq0 s VAL 250 Ca -0.08 0.61 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 3hq0 s VAL 250 Cb 0.04 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 3hq0 s VAL 250 CO 0.31 0.04 0.00 0.35 -3.33 0.00 0.00 175.10 172.46 3hq0 n THR 251 N 4.14 0.00 -1.84 5.04 -2.24 -1.26 -3.82 114.28 114.31 3hq0 n THR 251 Ca 0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.75 3hq0 n THR 251 Cb 0.40 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 3hq0 n THR 251 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hq0 n ARG 252 N -1.63 -1.58 -2.59 -0.78 1.74 -1.05 -3.68 116.66 107.10 3hq0 n ARG 252 Ca 0.00 0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 57.61 3hq0 n ARG 252 Cb 0.10 -5.37 -0.04 0.00 -1.02 0.00 0.00 32.46 26.12 3hq0 n ARG 252 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hq0 s GLY 253 N -2.29 2.94 -0.48 -0.13 0.00 -1.18 -4.05 107.32 102.12 3hq0 s GLY 253 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 44.72 45.33 3hq0 s GLY 253 CO 0.00 1.54 0.40 0.00 0.00 0.00 0.00 173.10 175.04 3hq0 s THR 255 N 1.54 0.55 -0.02 0.00 -1.32 -0.24 -2.96 115.64 113.19 3hq0 s THR 255 Ca 0.04 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 3hq0 s THR 255 Cb -0.26 -2.45 0.02 0.00 -1.51 0.00 0.00 72.50 68.30 3hq0 s THR 255 CO 0.03 0.00 -0.00 -0.63 -2.21 0.00 0.00 174.62 171.81 3hq0 s ILE 256 N -3.34 0.15 -0.14 5.08 1.01 -0.94 -1.60 121.20 121.42 3hq0 s ILE 256 Ca 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 3hq0 s ILE 256 Cb 0.04 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 3hq0 s ILE 256 CO 0.16 0.11 -0.05 -0.31 0.00 0.00 0.00 174.94 174.84 3hq0 s TYR 257 N 0.65 2.98 0.09 3.97 1.51 -1.07 -2.44 117.35 123.04 3hq0 s TYR 257 Ca -0.06 -0.29 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 3hq0 s TYR 257 Cb -0.09 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3hq0 s TYR 257 CO -0.01 0.00 0.17 0.00 -1.11 0.00 0.00 175.55 174.60 3hq0 s ALA 258 N 0.17 -0.15 -0.01 3.71 0.00 -0.85 0.26 121.76 124.88 3hq0 s ALA 258 Ca -0.03 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3hq0 s ALA 258 Cb -0.14 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3hq0 s ALA 258 CO 0.03 -0.50 -0.02 -1.58 0.00 0.00 0.00 175.76 173.70 3hq0 s TRP 259 N -3.87 3.04 0.84 0.00 0.51 0.45 -0.52 118.94 119.39 3hq0 s TRP 259 Ca 0.05 0.07 -0.10 0.00 -2.12 0.00 0.00 56.10 54.00 3hq0 s TRP 259 Cb 0.05 -1.67 0.14 0.00 -0.81 0.00 0.00 33.47 31.18 3hq0 s TRP 259 CO -0.11 0.44 1.17 0.16 -0.51 0.00 0.00 176.95 178.10 3hq0 s ASP 260 N -1.41 3.91 0.22 2.95 1.47 0.07 -4.20 116.67 119.66 3hq0 s ASP 260 Ca 0.18 0.22 -0.12 0.00 1.18 0.00 0.00 52.55 54.00 3hq0 s ASP 260 Cb -0.11 -0.51 0.27 0.00 -0.34 0.00 0.00 42.92 42.22 3hq0 s ASP 260 CO 0.08 -2.21 1.63 -0.65 0.68 0.00 0.00 175.17 174.71 3hq0 h PRO 261 N -1.10 0.02 0.00 2.11 0.11 -1.92 -1.04 132.00 130.18 3hq0 h PRO 261 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hq0 h PRO 261 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hq0 h PRO 261 CO 0.46 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.69 3hq0 n SER 262 N -5.42 0.00 0.00 -2.05 7.64 -1.26 -4.85 113.62 107.69 3hq0 n SER 262 Ca 0.09 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3hq0 n SER 262 Cb 0.35 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3hq0 n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hq0 n GLY 263 N -0.01 0.92 3.70 0.23 0.00 -0.39 -4.75 105.19 104.89 3hq0 n GLY 263 Ca 0.07 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3hq0 n GLY 263 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hq0 s ASN 264 N -2.03 6.98 0.08 1.61 0.02 -1.26 -4.82 114.94 115.52 3hq0 s ASN 264 Ca 0.00 1.18 -0.24 0.00 -1.02 0.00 0.00 52.86 52.78 3hq0 s ASN 264 Cb 0.00 -2.42 -0.06 0.00 0.02 0.00 0.00 41.25 38.78 3hq0 s ASN 264 CO 0.00 -0.19 0.74 -0.60 0.02 0.00 0.00 177.10 177.07 3hq0 s ARG 265 N 1.16 4.48 0.21 -0.60 3.52 -1.26 -0.75 118.95 125.71 3hq0 s ARG 265 Ca 0.38 1.04 0.03 0.00 -0.13 0.00 0.00 55.73 57.05 3hq0 s ARG 265 Cb -0.17 -3.32 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3hq0 s ARG 265 CO 0.17 0.42 -0.00 -0.59 -0.81 0.00 0.00 175.30 174.48 3hq0 s PHE 266 N -0.52 1.42 0.01 5.12 -0.12 0.32 -2.82 117.98 121.39 3hq0 s PHE 266 Ca 0.36 -0.96 0.03 0.00 -0.05 0.00 0.00 56.93 56.31 3hq0 s PHE 266 Cb -0.21 -0.81 -0.01 0.00 -0.63 0.00 0.00 43.02 41.35 3hq0 s PHE 266 CO 0.23 -0.11 -0.10 -2.00 -0.05 0.00 0.00 175.22 173.19 3hq0 s GLU 267 N -3.88 0.77 -0.15 1.99 2.12 -0.25 -2.01 118.70 117.29 3hq0 s GLU 267 Ca 0.27 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 55.13 3hq0 s GLU 267 Cb 0.06 -0.73 0.03 0.00 0.26 0.00 0.00 34.13 33.74 3hq0 s GLU 267 CO 0.07 0.19 -0.12 0.95 -0.54 0.00 0.00 175.26 175.81 3hq0 s THR 268 N -0.48 1.48 0.33 -1.70 -4.23 -1.02 0.25 115.64 110.27 3hq0 s THR 268 Ca 0.02 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 3hq0 s THR 268 Cb -0.05 -1.44 0.01 0.00 1.34 0.00 0.00 72.50 72.35 3hq0 s THR 268 CO 0.00 0.38 0.47 2.22 -0.54 0.00 0.00 174.62 177.16 3hq0 n PHE 269 N 4.79 -1.44 -3.46 3.99 -1.74 -0.82 -2.21 117.46 116.58 3hq0 n PHE 269 Ca -0.16 -2.16 -0.12 0.00 -0.56 0.00 0.00 57.45 54.45 3hq0 n PHE 269 Cb 0.49 0.53 -0.03 0.00 1.52 0.00 0.00 39.48 42.00 3hq0 n PHE 269 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3hq0 s MET 270 N -2.70 1.13 0.00 3.97 0.23 -1.16 0.94 119.30 121.71 3hq0 s MET 270 Ca 0.26 -0.31 0.00 0.00 -1.03 0.00 0.00 55.69 54.61 3hq0 s MET 270 Cb -0.01 0.52 0.00 0.00 -1.53 0.00 0.00 34.83 33.81 3hq0 s MET 270 CO 0.19 -0.47 0.00 0.41 -2.03 0.00 0.00 175.02 173.12 3hq0 n GLY 271 N -0.13 1.59 0.00 3.16 0.00 -1.26 -2.21 105.19 106.34 3hq0 n GLY 271 Ca -0.15 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3hq0 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hq0 n GLY 272 N 0.54 3.54 0.00 -0.02 0.00 -1.24 -4.73 105.19 103.28 3hq0 n GLY 272 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3hq0 n GLY 272 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hq0 n TYR 273 N -1.14 -3.03 -3.70 1.61 0.18 -1.26 -5.01 117.16 104.80 3hq0 n TYR 273 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 3hq0 n TYR 273 Cb 0.00 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 38.85 3hq0 n TYR 273 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 3hq0 n HIS 274 N -1.45 2.20 -1.65 -3.48 8.25 -1.26 -4.29 115.22 113.53 3hq0 n HIS 274 Ca 0.00 -4.04 -0.31 0.00 -0.26 0.00 0.00 57.72 53.11 3hq0 n HIS 274 Cb 0.00 -0.40 0.05 0.00 1.12 0.00 0.00 29.99 30.75 3hq0 n HIS 274 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hq0 s PRO 275 N -1.22 2.93 0.07 -0.41 0.04 -1.21 -4.99 135.00 130.20 3hq0 s PRO 275 Ca 0.29 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.40 3hq0 s PRO 275 Cb 0.01 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3hq0 s PRO 275 CO -0.16 -1.11 -0.06 0.71 0.04 0.00 0.00 177.00 176.42 3hq0 s TYR 276 N -2.86 0.71 0.47 0.56 2.02 -1.26 -4.18 117.35 112.81 3hq0 s TYR 276 Ca 0.60 -0.82 0.35 0.00 -0.37 0.00 0.00 57.07 56.83 3hq0 s TYR 276 Cb -0.15 -0.44 1.51 0.00 -0.40 0.00 0.00 41.96 42.48 3hq0 s TYR 276 CO 0.50 -0.19 1.61 -1.35 -1.57 0.00 0.00 175.55 174.56 3hq0 h PRO 277 N 3.49 0.05 0.00 -1.71 0.11 -1.99 0.95 132.00 132.90 3hq0 h PRO 277 Ca -0.35 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hq0 h PRO 277 Cb 1.17 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hq0 h PRO 277 CO 0.58 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3hq0 n ASP 278 N -4.52 0.00 -4.83 -2.05 5.75 -1.26 -4.87 116.55 104.77 3hq0 n ASP 278 Ca 0.39 -0.47 -0.34 0.00 -0.01 0.00 0.00 54.79 54.35 3hq0 n ASP 278 Cb 1.57 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 41.43 3hq0 n ASP 278 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3hq0 s TYR 279 N -2.35 3.50 0.09 2.11 4.12 0.33 -5.06 117.35 120.09 3hq0 s TYR 279 Ca 0.36 1.35 -0.21 0.00 0.02 0.00 0.00 57.07 58.59 3hq0 s TYR 279 Cb 0.21 -2.62 -0.07 0.00 -1.52 0.00 0.00 41.96 37.96 3hq0 s TYR 279 CO 0.42 0.18 0.62 -1.21 0.02 0.00 0.00 175.55 175.58 3hq0 s GLU 280 N -2.54 4.30 0.89 -0.62 0.41 -1.26 -4.95 118.70 114.92 3hq0 s GLU 280 Ca 0.50 0.85 -0.10 0.00 -0.41 0.00 0.00 54.97 55.81 3hq0 s GLU 280 Cb -0.13 -3.25 0.13 0.00 -1.78 0.00 0.00 34.13 29.10 3hq0 s GLU 280 CO 0.19 0.60 1.14 -1.25 -0.49 0.00 0.00 175.26 175.45 3hq0 s PRO 281 N -1.05 1.21 0.06 0.39 0.04 -1.25 -5.00 135.00 129.41 3hq0 s PRO 281 Ca 0.31 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.87 3hq0 s PRO 281 Cb -0.20 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 3hq0 s PRO 281 CO 0.21 -2.49 0.19 -0.51 0.04 0.00 0.00 177.00 174.44 3hq0 s LEU 282 N -6.46 4.26 0.16 -3.56 1.43 0.11 -4.94 118.68 109.68 3hq0 s LEU 282 Ca 0.66 0.22 0.09 0.00 -1.03 0.00 0.00 54.13 54.08 3hq0 s LEU 282 Cb -0.22 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 3hq0 s LEU 282 CO 0.57 0.17 -0.20 -0.94 0.23 0.00 0.00 176.35 176.19 3hq0 s SER 283 N -2.49 2.80 -0.06 2.29 1.04 -1.26 -1.83 113.70 114.19 3hq0 s SER 283 Ca 0.34 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.95 3hq0 s SER 283 Cb -0.13 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.83 3hq0 s SER 283 CO 0.27 0.00 -0.11 0.26 0.98 0.00 0.00 173.24 174.64 3hq0 s TRP 284 N -1.88 1.32 0.44 5.02 0.52 -0.13 -4.95 118.94 119.28 3hq0 s TRP 284 Ca 0.16 -0.45 -0.23 0.00 0.02 0.00 0.00 56.10 55.60 3hq0 s TRP 284 Cb -0.07 -0.97 -0.08 0.00 -1.15 0.00 0.00 33.47 31.20 3hq0 s TRP 284 CO 0.07 -0.23 1.10 0.95 0.02 0.00 0.00 176.95 178.85 3hq0 s THR 285 N 0.59 3.46 0.24 2.01 -4.23 -1.26 0.45 115.64 116.90 3hq0 s THR 285 Ca -0.12 1.07 -0.07 0.00 -1.18 0.00 0.00 61.69 61.39 3hq0 s THR 285 Cb -0.14 -3.53 0.27 0.00 1.34 0.00 0.00 72.50 70.43 3hq0 s THR 285 CO 0.03 -0.04 1.64 0.22 -0.54 0.00 0.00 174.62 175.93 3hq0 h TYR 286 N 2.13 0.01 -0.77 3.99 3.20 -1.68 0.18 116.97 124.03 3hq0 h TYR 286 Ca -0.49 0.05 0.17 0.00 3.14 0.00 0.00 58.73 61.60 3hq0 h TYR 286 Cb 1.23 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.56 3hq0 h TYR 286 CO 0.56 -0.21 0.52 0.38 -1.64 0.00 0.00 178.16 177.76 3hq0 h ASP 287 N 0.13 0.32 -0.05 -2.11 3.04 -1.91 0.49 116.42 116.33 3hq0 h ASP 287 Ca 0.41 0.02 -0.24 0.00 -3.24 0.00 0.00 57.03 53.99 3hq0 h ASP 287 Cb 0.72 -0.04 0.02 0.00 -1.04 0.00 0.00 39.33 38.99 3hq0 h ASP 287 CO -0.63 0.15 -0.89 -1.13 -2.04 0.00 0.00 179.24 174.70 3hq0 h ASN 288 N 0.33 0.86 0.00 4.15 -1.24 -1.04 -3.55 115.58 115.10 3hq0 h ASN 288 Ca 0.38 -0.71 0.00 0.00 0.71 0.00 0.00 56.30 56.68 3hq0 h ASN 288 Cb 1.00 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.79 3hq0 h ASN 288 CO -0.11 1.45 0.00 0.33 -1.29 0.00 0.00 177.43 177.81