#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 4.08 0.05 0.00 1.00 -1.26 -5.03 119.30 118.13 3hq0 s MET 3 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 55.69 55.97 3hq0 s MET 3 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 34.83 31.19 3hq0 s MET 3 CO 0.00 -0.30 0.03 0.25 0.00 0.00 0.00 175.02 175.00 3hq0 n THR 4 N 5.05 0.00 -0.54 2.05 -2.24 -1.26 -4.99 114.28 112.35 3hq0 n THR 4 Ca -0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3hq0 n THR 4 Cb 0.50 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3hq0 n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hq0 n GLY 5 N 0.42 3.35 3.68 3.38 0.00 -1.26 -4.28 105.19 110.48 3hq0 n GLY 5 Ca 0.01 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 4.70 -0.19 1.61 1.01 -1.26 -1.36 120.40 124.91 3hq0 s VAL 6 Ca 0.00 1.99 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 3hq0 s VAL 6 Cb 0.00 -4.28 -0.21 0.00 0.00 0.00 0.00 36.38 31.89 3hq0 s VAL 6 CO 0.00 -0.04 0.37 -0.07 0.00 0.00 0.00 175.10 175.36 3hq0 h LEU 7 N 8.40 0.00 -7.49 3.92 3.38 -1.17 -3.45 115.31 118.89 3hq0 h LEU 7 Ca -0.28 -0.64 0.20 0.00 0.09 0.00 0.00 57.88 57.25 3hq0 h LEU 7 Cb 1.13 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 3hq0 h LEU 7 CO 0.89 1.32 0.56 0.00 0.09 0.00 0.00 178.44 181.30 3hq0 s ARG 8 N -2.31 0.98 0.24 1.13 1.70 -1.19 -4.77 118.95 114.73 3hq0 s ARG 8 Ca -0.25 -0.52 -0.31 0.00 -0.47 0.00 0.00 55.73 54.18 3hq0 s ARG 8 Cb 0.03 0.34 -0.11 0.00 -0.57 0.00 0.00 34.95 34.65 3hq0 s ARG 8 CO 0.61 -0.45 1.58 -2.14 -1.08 0.00 0.00 175.30 173.82 3hq0 s PRO 9 N -3.07 4.18 -0.23 3.89 0.02 -1.26 -1.55 135.00 136.97 3hq0 s PRO 9 Ca 0.12 2.47 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 3hq0 s PRO 9 Cb -0.00 -3.08 -0.14 0.00 0.02 0.00 0.00 34.50 31.30 3hq0 s PRO 9 CO -0.00 -0.60 -0.23 0.41 -0.33 0.00 0.00 177.00 176.25 3hq0 n GLY 10 N 2.88 -0.33 3.55 0.52 0.00 0.75 -4.70 105.19 107.86 3hq0 n GLY 10 Ca 0.11 -0.14 -0.11 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 -2.45 -0.40 -0.07 1.61 -3.43 -1.01 -4.00 115.29 105.53 3hq0 s HIS 11 Ca -0.31 0.58 0.03 0.00 -0.80 0.00 0.00 55.06 54.55 3hq0 s HIS 11 Cb 0.09 0.47 0.01 0.00 -1.43 0.00 0.00 32.58 31.72 3hq0 s HIS 11 CO 0.50 -0.43 -0.14 0.00 -2.00 0.00 0.00 174.74 172.67 3hq0 s ALA 12 N -1.67 1.39 -0.25 -1.38 0.00 -0.49 -0.28 121.76 119.07 3hq0 s ALA 12 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 3hq0 s ALA 12 Cb -0.01 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.53 3hq0 s ALA 12 CO -0.00 0.15 -0.00 -1.14 0.00 0.00 0.00 175.76 174.76 3hq0 s GLN 13 N 0.59 3.15 0.13 0.00 0.74 -0.80 -0.46 119.66 123.00 3hq0 s GLN 13 Ca -0.15 -0.79 0.08 0.00 0.05 0.00 0.00 55.36 54.55 3hq0 s GLN 13 Cb -0.16 -3.14 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 3hq0 s GLN 13 CO 0.04 -0.33 -0.10 0.08 -0.55 0.00 0.00 175.29 174.43 3hq0 s VAL 14 N 1.45 3.30 -0.14 1.34 1.01 0.89 -1.27 120.40 126.99 3hq0 s VAL 14 Ca 0.03 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 3hq0 s VAL 14 Cb -0.16 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3hq0 s VAL 14 CO -0.01 0.05 0.36 -0.13 0.00 0.00 0.00 175.10 175.36 3hq0 s ARG 15 N -2.38 4.26 0.02 2.72 0.52 0.13 -1.64 118.95 122.58 3hq0 s ARG 15 Ca 0.22 0.22 0.08 0.00 -0.52 0.00 0.00 55.73 55.73 3hq0 s ARG 15 Cb -0.10 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 3hq0 s ARG 15 CO 0.14 0.24 -0.24 0.14 0.02 0.00 0.00 175.30 175.60 3hq0 s VAL 16 N 0.44 2.34 0.15 3.52 -7.23 -0.63 -3.57 120.40 115.41 3hq0 s VAL 16 Ca 0.20 -1.23 0.27 0.00 -1.81 0.00 0.00 61.98 59.41 3hq0 s VAL 16 Cb -0.14 -1.90 0.29 0.00 0.56 0.00 0.00 36.38 35.19 3hq0 s VAL 16 CO 0.06 0.43 1.90 -0.07 -0.31 0.00 0.00 175.10 177.11 3hq0 h LEU 17 N 4.94 0.00 -6.74 1.32 4.07 -1.88 -1.61 115.31 115.42 3hq0 h LEU 17 Ca -0.46 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.15 3hq0 h LEU 17 Cb 1.14 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 42.52 3hq0 h LEU 17 CO 0.46 0.14 -0.65 0.21 -1.08 0.00 0.00 178.44 177.52 3hq0 s ASN 18 N -6.03 1.74 0.24 -0.43 2.47 -1.26 -4.76 114.94 106.91 3hq0 s ASN 18 Ca 0.00 -0.48 -0.05 0.00 0.42 0.00 0.00 52.86 52.76 3hq0 s ASN 18 Cb 0.10 0.29 0.40 0.00 -1.45 0.00 0.00 41.25 40.60 3hq0 s ASN 18 CO 0.60 -0.35 1.78 0.25 -3.72 0.00 0.00 177.10 175.66 3hq0 h LEU 19 N 8.32 0.52 0.30 3.21 5.85 -1.95 -1.26 115.31 130.29 3hq0 h LEU 19 Ca -0.16 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hq0 h LEU 19 Cb 1.12 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3hq0 h LEU 19 CO 0.31 0.27 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.12 3hq0 h GLU 20 N 0.64 -0.52 -0.11 1.25 3.07 -1.99 0.25 114.58 117.18 3hq0 h GLU 20 Ca 0.39 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.26 3hq0 h GLU 20 Cb 0.45 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3hq0 h GLU 20 CO -0.29 -0.34 -0.06 0.93 -1.40 0.00 0.00 179.01 177.84 3hq0 h GLU 21 N -0.54 0.16 -0.32 2.33 5.08 -1.95 -2.06 114.58 117.29 3hq0 h GLU 21 Ca -0.02 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3hq0 h GLU 21 Cb 0.47 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3hq0 h GLU 21 CO -0.01 0.24 -0.45 0.78 -1.00 0.00 0.00 179.01 178.57 3hq0 h GLY 22 N 0.50 0.94 0.91 -3.84 0.00 -0.58 -1.56 103.07 99.44 3hq0 h GLY 22 Ca 0.04 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 3hq0 h GLY 22 CO 0.01 0.93 0.10 -2.22 0.00 0.00 0.00 176.54 175.36 3hq0 h ILE 23 N 0.64 1.14 -0.41 2.60 2.04 -0.03 -2.03 117.51 121.47 3hq0 h ILE 23 Ca 0.03 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3hq0 h ILE 23 Cb 1.05 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3hq0 h ILE 23 CO 0.10 0.14 0.14 -0.74 0.00 0.00 0.00 178.15 177.80 3hq0 h HIS 24 N 0.21 0.64 0.29 1.37 2.76 -1.38 -1.24 115.15 117.81 3hq0 h HIS 24 Ca 0.07 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3hq0 h HIS 24 Cb 0.13 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.91 3hq0 h HIS 24 CO -0.02 0.58 -0.14 0.35 -1.30 0.00 0.00 177.93 177.40 3hq0 h PHE 25 N 0.52 -0.36 -0.16 5.26 3.04 -1.22 0.12 116.94 124.13 3hq0 h PHE 25 Ca 0.13 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.94 3hq0 h PHE 25 Cb 0.23 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 3hq0 h PHE 25 CO 0.01 -0.19 -0.48 1.88 -2.02 0.00 0.00 178.31 177.51 3hq0 h TYR 26 N -0.45 0.52 0.04 0.41 0.05 -1.41 0.27 116.97 116.40 3hq0 h TYR 26 Ca -0.04 -0.17 -0.24 0.00 0.05 0.00 0.00 58.73 58.33 3hq0 h TYR 26 Cb 0.34 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 3hq0 h TYR 26 CO -0.04 0.83 -1.16 -0.09 -1.05 0.00 0.00 178.16 176.65 3hq0 h ARG 27 N 0.34 0.09 0.00 4.88 2.43 -1.20 0.89 114.38 121.82 3hq0 h ARG 27 Ca 0.02 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3hq0 h ARG 27 Cb 0.97 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3hq0 h ARG 27 CO 0.08 1.03 -1.29 0.09 -1.51 0.00 0.00 179.97 178.38 3hq0 n ASN 28 N -3.39 3.68 -0.07 -3.80 5.03 0.41 -4.03 115.26 113.08 3hq0 n ASN 28 Ca -0.05 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.35 3hq0 n ASN 28 Cb 0.98 1.11 -0.02 0.00 -1.02 0.00 0.00 39.78 40.83 3hq0 n ASN 28 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3hq0 n VAL 29 N -1.82 1.37 0.21 2.41 0.31 0.85 -4.33 118.33 117.33 3hq0 n VAL 29 Ca -0.03 0.21 0.08 0.00 -0.01 0.00 0.00 64.34 64.59 3hq0 n VAL 29 Cb 0.28 -2.34 0.41 0.00 -0.91 0.00 0.00 33.84 31.29 3hq0 n VAL 29 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hq0 h LEU 30 N -0.95 0.00 -0.78 7.52 5.85 -1.39 -0.25 115.31 125.30 3hq0 h LEU 30 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3hq0 h LEU 30 Cb 0.63 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.68 3hq0 h LEU 30 CO 0.00 0.28 -0.12 0.61 -0.34 0.00 0.00 178.44 178.87 3hq0 n GLY 31 N 0.17 0.63 3.91 3.75 0.00 -0.96 0.16 105.19 112.85 3hq0 n GLY 31 Ca -0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.99 3.16 -0.24 0.99 1.02 0.27 -4.07 118.68 117.83 3hq0 s LEU 32 Ca 0.09 0.84 -0.07 0.00 0.02 0.00 0.00 54.13 55.01 3hq0 s LEU 32 Cb -0.04 -3.67 -0.03 0.00 0.02 0.00 0.00 46.19 42.47 3hq0 s LEU 32 CO 0.11 -1.11 0.06 -0.69 0.02 0.00 0.00 176.35 174.74 3hq0 s VAL 33 N -3.08 4.33 0.08 -1.59 1.01 -0.21 -4.48 120.40 116.46 3hq0 s VAL 33 Ca 0.55 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 3hq0 s VAL 33 Cb -0.11 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 3hq0 s VAL 33 CO 0.47 0.36 1.18 -0.70 0.00 0.00 0.00 175.10 176.40 3hq0 s GLU 34 N 1.44 4.46 0.00 2.72 2.12 -1.26 -1.39 118.70 126.79 3hq0 s GLU 34 Ca 0.05 1.75 0.01 0.00 0.36 0.00 0.00 54.97 57.15 3hq0 s GLU 34 Cb -0.15 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.91 3hq0 s GLU 34 CO 0.03 -0.20 0.39 0.25 -0.54 0.00 0.00 175.26 175.20 3hq0 n THR 35 N 3.68 0.00 0.00 -1.70 -2.24 0.82 -4.96 114.28 109.87 3hq0 n THR 35 Ca 0.08 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3hq0 n THR 35 Cb 0.46 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.37 1.46 3.09 3.38 0.00 -1.21 -4.96 105.19 107.31 3hq0 n GLY 36 Ca 0.01 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 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 0.27 0.48 1.61 0.52 -1.26 0.13 118.95 118.70 3hq0 s ARG 37 Ca 0.00 0.22 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 3hq0 s ARG 37 Cb 0.00 0.13 0.01 0.00 0.52 0.00 0.00 34.95 35.61 3hq0 s ARG 37 CO 0.00 -0.04 0.39 0.16 0.02 0.00 0.00 175.30 175.84 3hq0 s ASP 38 N -0.05 4.81 0.00 0.23 1.47 -0.82 -4.96 116.67 117.35 3hq0 s ASP 38 Ca -0.02 -0.99 0.07 0.00 1.18 0.00 0.00 52.55 52.79 3hq0 s ASP 38 Cb -0.02 -0.10 0.40 0.00 -0.34 0.00 0.00 42.92 42.86 3hq0 s ASP 38 CO 0.00 -0.87 0.88 -0.90 0.68 0.00 0.00 175.17 174.96 3hq0 n ASP 39 N -1.65 0.00 -0.64 2.11 5.68 -1.26 -1.60 116.55 119.20 3hq0 n ASP 39 Ca 0.02 -0.85 0.07 0.00 -0.50 0.00 0.00 54.79 53.53 3hq0 n ASP 39 Cb 0.63 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.70 3hq0 n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hq0 n GLN 40 N -0.70 1.37 -2.14 0.11 6.02 -1.26 -4.99 117.38 115.79 3hq0 n GLN 40 Ca 0.05 -1.53 -0.02 0.00 -0.01 0.00 0.00 57.00 55.49 3hq0 n GLN 40 Cb 0.02 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.83 0.38 3.64 1.08 0.00 -0.62 -5.01 105.19 105.50 3hq0 n GLY 41 Ca 0.10 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.29 2.87 -0.13 1.61 0.52 -1.26 -4.48 118.95 113.78 3hq0 s ARG 42 Ca 0.01 -0.49 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 3hq0 s ARG 42 Cb -0.00 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 3hq0 s ARG 42 CO 0.01 0.68 -0.01 0.14 0.02 0.00 0.00 175.30 176.15 3hq0 s VAL 43 N -0.88 4.20 -0.13 3.52 -7.23 -0.81 -1.94 120.40 117.13 3hq0 s VAL 43 Ca 0.14 -0.26 -0.05 0.00 -1.81 0.00 0.00 61.98 60.00 3hq0 s VAL 43 Cb -0.11 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 3hq0 s VAL 43 CO 0.03 0.53 0.04 -0.31 -0.31 0.00 0.00 175.10 175.08 3hq0 s TYR 44 N -0.10 3.26 0.11 2.82 1.51 0.12 -1.59 117.35 123.49 3hq0 s TYR 44 Ca 0.04 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.30 3hq0 s TYR 44 Cb -0.13 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 3hq0 s TYR 44 CO 0.02 0.37 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.67 3hq0 s PHE 45 N -0.36 1.11 0.04 2.71 0.40 -0.25 -0.13 117.98 121.50 3hq0 s PHE 45 Ca 0.08 -0.73 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 3hq0 s PHE 45 Cb -0.12 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 3hq0 s PHE 45 CO 0.02 0.01 0.11 -1.59 0.70 0.00 0.00 175.22 174.47 3hq0 s LYS 46 N -3.26 0.62 0.42 0.44 -2.85 -0.48 -0.43 119.74 114.19 3hq0 s LYS 46 Ca 0.10 -0.77 -0.23 0.00 -1.00 0.00 0.00 55.97 54.07 3hq0 s LYS 46 Cb 0.00 0.24 -0.09 0.00 -2.06 0.00 0.00 37.83 35.93 3hq0 s LYS 46 CO -0.00 -0.16 1.04 0.00 0.10 0.00 0.00 175.35 176.32 3hq0 h TRP 48 N 2.28 1.03 -0.32 0.00 5.08 -1.84 -2.11 115.95 120.08 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 1.21 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 27.05 3hq0 h TRP 48 CO 0.58 0.41 0.00 -3.47 -1.28 0.00 0.00 178.44 174.67 3hq0 n ASP 49 N -4.59 1.91 -4.85 0.11 2.03 -1.26 -4.45 116.55 105.44 3hq0 n ASP 49 Ca 0.18 -1.93 -0.25 0.00 0.52 0.00 0.00 54.79 53.32 3hq0 n ASP 49 Cb 0.38 -0.21 0.07 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.58 2.10 -0.04 -0.67 2.02 -0.79 -4.88 118.70 114.86 3hq0 s GLU 50 Ca 0.27 -0.49 0.07 0.00 0.02 0.00 0.00 54.97 54.84 3hq0 s GLU 50 Cb 0.14 -2.24 -0.10 0.00 0.10 0.00 0.00 34.13 32.03 3hq0 s GLU 50 CO 0.19 -1.23 0.10 0.54 0.02 0.00 0.00 175.26 174.88 3hq0 n ARG 51 N -2.84 1.41 -2.06 1.61 1.74 -1.26 -3.74 116.66 111.51 3hq0 n ARG 51 Ca 0.09 -0.04 -0.32 0.00 -0.77 0.00 0.00 57.85 56.82 3hq0 n ARG 51 Cb 0.60 -1.17 -0.00 0.00 -1.02 0.00 0.00 32.46 30.87 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 -3.28 6.18 0.44 0.55 1.01 -1.26 0.62 116.67 120.93 3hq0 s ASP 52 Ca -0.03 1.58 0.15 0.00 0.71 0.00 0.00 52.55 54.95 3hq0 s ASP 52 Cb 0.03 -2.50 1.05 0.00 1.01 0.00 0.00 42.92 42.52 3hq0 s ASP 52 CO 0.29 -0.89 1.97 -0.74 0.21 0.00 0.00 175.17 176.01 3hq0 h HIS 53 N 0.24 0.42 -2.80 4.23 2.76 -1.20 -3.43 115.15 115.36 3hq0 h HIS 53 Ca -0.46 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 57.63 3hq0 h HIS 53 Cb 1.20 -0.14 -0.19 0.00 1.55 0.00 0.00 27.41 29.83 3hq0 h HIS 53 CO 0.63 0.19 -0.12 -1.54 -1.30 0.00 0.00 177.93 175.79 3hq0 s SER 54 N -6.19 -0.32 0.00 3.26 1.04 -1.26 -4.42 113.70 105.81 3hq0 s SER 54 Ca -0.08 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3hq0 s SER 54 Cb 0.20 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3hq0 s SER 54 CO 0.75 -0.54 0.00 0.00 0.98 0.00 0.00 173.24 174.43 3hq0 s TYR 56 N -0.06 -0.39 -0.07 0.00 5.04 -0.96 -1.40 117.35 119.51 3hq0 s TYR 56 Ca 0.00 0.92 0.05 0.00 -2.44 0.00 0.00 57.07 55.61 3hq0 s TYR 56 Cb 0.00 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.25 3hq0 s TYR 56 CO 0.00 -0.34 -0.23 0.42 -1.34 0.00 0.00 175.55 174.06 3hq0 s ILE 57 N 2.34 1.95 -0.07 3.14 1.09 0.39 -1.09 121.20 128.95 3hq0 s ILE 57 Ca 0.01 -0.99 -0.00 0.00 -1.10 0.00 0.00 60.65 58.56 3hq0 s ILE 57 Cb -0.12 -1.67 -0.03 0.00 -1.06 0.00 0.00 42.46 39.58 3hq0 s ILE 57 CO -0.08 0.54 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.64 3hq0 s ILE 58 N 0.03 4.04 -0.05 2.92 1.09 -0.62 -0.08 121.20 128.54 3hq0 s ILE 58 Ca -0.08 -0.37 -0.02 0.00 -1.10 0.00 0.00 60.65 59.08 3hq0 s ILE 58 Cb -0.15 -2.69 0.03 0.00 -1.06 0.00 0.00 42.46 38.59 3hq0 s ILE 58 CO 0.05 0.59 0.04 -0.60 -0.10 0.00 0.00 174.94 174.91 3hq0 s ARG 59 N -0.90 0.16 0.02 2.79 3.52 -0.65 -1.92 118.95 121.96 3hq0 s ARG 59 Ca 0.13 0.27 -0.30 0.00 -0.13 0.00 0.00 55.73 55.70 3hq0 s ARG 59 Cb -0.11 -0.63 -0.06 0.00 -1.56 0.00 0.00 34.95 32.59 3hq0 s ARG 59 CO 0.02 -0.30 1.44 -2.00 -0.81 0.00 0.00 175.30 173.66 3hq0 s GLU 60 N 1.97 4.27 0.33 5.12 2.12 -1.26 -1.61 118.70 129.65 3hq0 s GLU 60 Ca 0.03 2.03 0.01 0.00 0.36 0.00 0.00 54.97 57.40 3hq0 s GLU 60 Cb -0.12 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 3hq0 s GLU 60 CO -0.04 -0.60 0.39 0.00 -0.54 0.00 0.00 175.26 174.47 3hq0 s ALA 61 N 2.39 1.20 -2.26 6.30 0.00 -0.60 -4.89 121.76 123.89 3hq0 s ALA 61 Ca 0.65 -1.74 0.28 0.00 0.00 0.00 0.00 51.96 51.16 3hq0 s ALA 61 Cb -0.33 1.29 1.36 0.00 0.00 0.00 0.00 23.12 25.44 3hq0 s ALA 61 CO 0.27 -0.73 1.91 -0.25 0.00 0.00 0.00 175.76 176.96 3hq0 n ASP 62 N -1.41 0.86 -3.75 0.00 9.92 -1.26 -4.21 116.55 116.69 3hq0 n ASP 62 Ca 0.03 -1.32 -0.13 0.00 -0.53 0.00 0.00 54.79 52.85 3hq0 n ASP 62 Cb 0.62 -0.01 -0.11 0.00 -0.64 0.00 0.00 41.12 40.98 3hq0 n ASP 62 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3hq0 s THR 63 N -1.98 -0.01 1.18 -3.53 -4.23 -1.26 -5.03 115.64 100.78 3hq0 s THR 63 Ca 0.41 0.02 -0.19 0.00 -1.18 0.00 0.00 61.69 60.75 3hq0 s THR 63 Cb 0.21 -0.47 0.28 0.00 1.34 0.00 0.00 72.50 73.86 3hq0 s THR 63 CO 0.34 0.01 1.15 0.00 -0.54 0.00 0.00 174.62 175.58 3hq0 s ALA 64 N 0.41 0.86 0.00 3.99 0.00 -1.26 -4.63 121.76 121.13 3hq0 s ALA 64 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3hq0 s ALA 64 Cb -0.04 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.25 3hq0 s ALA 64 CO -0.02 -3.47 0.00 0.41 0.00 0.00 0.00 175.76 172.68 3hq0 n GLY 65 N -1.46 0.39 3.50 0.00 0.00 -1.23 -4.85 105.19 101.54 3hq0 n GLY 65 Ca 0.15 -2.28 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.32 3.58 -0.14 -0.61 2.07 -1.26 -0.69 121.20 123.83 3hq0 s ILE 66 Ca 0.00 -0.49 -0.14 0.00 -1.41 0.00 0.00 60.65 58.60 3hq0 s ILE 66 Cb 0.00 -2.51 -0.12 0.00 0.13 0.00 0.00 42.46 39.97 3hq0 s ILE 66 CO 0.00 0.54 0.24 0.44 -1.91 0.00 0.00 174.94 174.26 3hq0 h ASP 67 N 6.09 0.00 -5.05 4.50 3.32 -1.54 -3.48 116.42 120.26 3hq0 h ASP 67 Ca -0.37 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.28 3hq0 h ASP 67 Cb 1.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 3hq0 h ASP 67 CO 0.57 0.86 0.11 0.72 -1.72 0.00 0.00 179.24 179.77 3hq0 s PHE 68 N -2.01 -0.23 -0.09 4.55 -0.12 -1.23 -4.33 117.98 114.52 3hq0 s PHE 68 Ca -0.13 -0.10 -0.01 0.00 -0.05 0.00 0.00 56.93 56.64 3hq0 s PHE 68 Cb 0.00 0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.91 3hq0 s PHE 68 CO 0.35 -0.95 -0.02 0.12 -0.05 0.00 0.00 175.22 174.66 3hq0 s PHE 69 N -3.85 0.96 0.19 3.49 2.19 -0.84 -1.90 117.98 118.22 3hq0 s PHE 69 Ca 0.07 -0.38 0.06 0.00 0.33 0.00 0.00 56.93 57.01 3hq0 s PHE 69 Cb -0.02 -0.96 -0.04 0.00 -1.31 0.00 0.00 43.02 40.70 3hq0 s PHE 69 CO -0.04 -0.40 0.13 0.20 1.83 0.00 0.00 175.22 176.94 3hq0 s GLY 70 N 1.88 1.65 -0.05 13.12 0.00 0.62 -0.92 107.32 123.61 3hq0 s GLY 70 Ca 0.05 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.52 3hq0 s GLY 70 CO -0.06 -1.31 -0.20 -1.36 0.00 0.00 0.00 173.10 170.16 3hq0 s PHE 71 N -1.85 2.00 0.08 1.90 0.08 0.18 -0.18 117.98 120.18 3hq0 s PHE 71 Ca 0.31 -0.61 -0.25 0.00 0.12 0.00 0.00 56.93 56.50 3hq0 s PHE 71 Cb -0.09 -1.33 -0.06 0.00 -0.57 0.00 0.00 43.02 40.96 3hq0 s PHE 71 CO 0.23 -0.20 0.77 0.21 -0.10 0.00 0.00 175.22 176.12 3hq0 s LYS 72 N 0.02 4.51 0.44 0.44 2.20 -0.59 -1.34 119.74 125.42 3hq0 s LYS 72 Ca -0.05 1.08 0.07 0.00 -0.36 0.00 0.00 55.97 56.72 3hq0 s LYS 72 Cb -0.13 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3hq0 s LYS 72 CO 0.03 0.37 0.39 0.14 -0.36 0.00 0.00 175.35 175.91 3hq0 s VAL 73 N -0.37 2.45 0.10 4.02 -7.23 0.82 -0.84 120.40 119.35 3hq0 s VAL 73 Ca 0.38 -1.38 -0.31 0.00 -1.81 0.00 0.00 61.98 58.86 3hq0 s VAL 73 Cb -0.21 -2.83 -0.13 0.00 0.56 0.00 0.00 36.38 33.77 3hq0 s VAL 73 CO 0.24 0.00 1.62 0.25 -0.31 0.00 0.00 175.10 176.89 3hq0 h LEU 74 N 0.98 -0.91 -8.15 1.32 5.85 -1.54 -3.43 115.31 109.43 3hq0 h LEU 74 Ca -0.40 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3hq0 h LEU 74 Cb 1.27 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 3hq0 h LEU 74 CO 0.58 -0.48 0.14 1.51 -0.34 0.00 0.00 178.44 179.84 3hq0 s ASP 75 N -4.61 0.25 0.18 1.25 1.47 -1.26 -5.03 116.67 108.92 3hq0 s ASP 75 Ca -0.17 -1.22 -0.13 0.00 1.18 0.00 0.00 52.55 52.22 3hq0 s ASP 75 Cb 0.06 0.79 0.15 0.00 -0.34 0.00 0.00 42.92 43.58 3hq0 s ASP 75 CO 0.63 -1.56 1.76 0.50 0.68 0.00 0.00 175.17 177.18 3hq0 h LYS 76 N 2.03 0.39 -0.86 2.11 3.64 -1.92 -0.92 116.57 121.04 3hq0 h LYS 76 Ca -0.30 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.13 3hq0 h LYS 76 Cb 1.25 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 3hq0 h LYS 76 CO 0.39 0.26 0.52 0.00 -2.27 0.00 0.00 179.45 178.35 3hq0 h ALA 77 N 1.30 1.21 -0.57 5.00 0.00 -1.99 -0.34 119.26 123.86 3hq0 h ALA 77 Ca 0.23 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 3hq0 h ALA 77 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hq0 h ALA 77 CO -0.21 0.21 0.03 1.15 0.00 0.00 0.00 179.25 180.44 3hq0 h THR 78 N 0.91 1.26 -0.14 0.00 2.02 -1.75 -0.49 112.91 114.72 3hq0 h THR 78 Ca 0.39 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3hq0 h THR 78 Cb 0.27 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3hq0 h THR 78 CO -0.21 0.39 0.09 0.25 0.37 0.00 0.00 175.52 176.41 3hq0 h LEU 79 N 0.90 0.16 -0.38 2.58 5.85 0.19 0.74 115.31 125.36 3hq0 h LEU 79 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hq0 h LEU 79 Cb 0.48 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hq0 h LEU 79 CO 0.02 0.13 0.25 -0.33 -0.34 0.00 0.00 178.44 178.17 3hq0 h GLU 80 N 0.18 0.50 -0.19 1.25 4.39 -0.86 -0.75 114.58 119.11 3hq0 h GLU 80 Ca 0.05 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3hq0 h GLU 80 Cb -0.01 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.48 3hq0 h GLU 80 CO -0.01 0.33 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.85 3hq0 h LYS 81 N 0.52 -0.09 -0.85 2.33 1.63 -0.73 -1.01 116.57 118.37 3hq0 h LYS 81 Ca 0.14 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3hq0 h LYS 81 Cb -0.06 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.55 3hq0 h LYS 81 CO -0.03 -0.06 0.52 -0.07 -3.45 0.00 0.00 179.45 176.36 3hq0 h LEU 82 N -0.09 1.02 -0.38 5.20 4.07 -0.53 -1.19 115.31 123.42 3hq0 h LEU 82 Ca 0.11 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.01 3hq0 h LEU 82 Cb 0.25 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 3hq0 h LEU 82 CO -0.25 0.79 0.24 -0.78 -1.08 0.00 0.00 178.44 177.36 3hq0 h ASP 83 N 1.17 0.40 -0.53 -0.43 -0.00 -0.55 -1.02 116.42 115.46 3hq0 h ASP 83 Ca 0.31 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.32 3hq0 h ASP 83 Cb -0.05 -0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 39.16 3hq0 h ASP 83 CO -0.06 0.29 0.27 0.00 -0.00 0.00 0.00 179.24 179.74 3hq0 h ALA 84 N 1.15 0.68 -0.66 -0.78 0.00 -0.78 -2.64 119.26 116.23 3hq0 h ALA 84 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hq0 h ALA 84 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3hq0 h ALA 84 CO -0.05 0.23 0.14 -0.44 0.00 0.00 0.00 179.25 179.13 3hq0 h ASP 85 N 0.71 1.00 -0.60 0.00 3.32 -0.94 -0.38 116.42 119.52 3hq0 h ASP 85 Ca 0.18 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hq0 h ASP 85 Cb 0.09 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3hq0 h ASP 85 CO -0.03 0.98 0.39 -0.07 -1.72 0.00 0.00 179.24 178.79 3hq0 h LEU 86 N 1.00 0.71 -0.44 1.55 3.38 -0.97 -0.27 115.31 120.26 3hq0 h LEU 86 Ca 0.21 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3hq0 h LEU 86 Cb 0.38 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hq0 h LEU 86 CO 0.01 0.53 -0.51 1.56 0.09 0.00 0.00 178.44 180.12 3hq0 h GLN 87 N 0.82 0.72 0.00 1.13 4.20 -1.29 -2.06 115.11 118.63 3hq0 h GLN 87 Ca 0.22 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3hq0 h GLN 87 Cb -0.07 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3hq0 h GLN 87 CO -0.04 1.06 -0.06 0.00 -0.67 0.00 0.00 178.83 179.12 3hq0 h ALA 88 N 0.86 1.11 0.00 3.87 0.00 -0.72 -0.99 119.26 123.40 3hq0 h ALA 88 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hq0 h ALA 88 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hq0 h ALA 88 CO 0.11 0.07 -0.28 -0.92 0.00 0.00 0.00 179.25 178.23 3hq0 h TYR 89 N 0.00 0.00 0.00 0.00 3.20 -0.50 -3.47 116.97 116.20 3hq0 h TYR 89 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hq0 h TYR 89 Cb 0.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3hq0 h TYR 89 CO 0.00 0.28 0.00 0.41 -1.64 0.00 0.00 178.16 177.21 3hq0 n GLY 90 N 0.99 1.01 3.89 1.82 0.00 -0.37 -5.10 105.19 107.42 3hq0 n GLY 90 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 4.15 -0.12 0.99 1.43 -0.83 -5.00 118.68 119.30 3hq0 s LEU 91 Ca 0.00 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 3hq0 s LEU 91 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3hq0 s LEU 91 CO 0.00 -0.09 0.29 0.42 0.23 0.00 0.00 176.35 177.20 3hq0 s THR 92 N -1.87 5.29 0.09 5.49 -4.23 -1.26 -3.87 115.64 115.28 3hq0 s THR 92 Ca 0.45 0.54 0.08 0.00 -1.18 0.00 0.00 61.69 61.59 3hq0 s THR 92 Cb -0.11 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 3hq0 s THR 92 CO 0.24 0.47 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.72 3hq0 s THR 93 N -0.11 2.80 0.01 3.99 2.01 -1.26 -4.57 115.64 118.52 3hq0 s THR 93 Ca 0.17 -1.40 0.07 0.00 0.31 0.00 0.00 61.69 60.85 3hq0 s THR 93 Cb -0.13 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 3hq0 s THR 93 CO 0.06 0.19 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.06 3hq0 s THR 94 N -1.06 1.80 -0.30 -0.82 2.01 -0.35 -4.98 115.64 111.95 3hq0 s THR 94 Ca 0.17 -1.11 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 3hq0 s THR 94 Cb -0.11 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.89 3hq0 s THR 94 CO 0.08 0.38 0.07 -0.60 -0.69 0.00 0.00 174.62 173.86 3hq0 s ARG 95 N -0.86 3.03 -0.22 4.92 6.06 -1.26 -0.49 118.95 130.12 3hq0 s ARG 95 Ca 0.09 -0.90 -0.17 0.00 -2.50 0.00 0.00 55.73 52.26 3hq0 s ARG 95 Cb -0.09 -3.35 -0.04 0.00 0.06 0.00 0.00 34.95 31.54 3hq0 s ARG 95 CO 0.01 -0.46 0.44 0.42 -2.50 0.00 0.00 175.30 173.21 3hq0 s ILE 96 N 1.48 5.15 0.96 4.11 1.01 0.37 -4.94 121.20 129.34 3hq0 s ILE 96 Ca 0.02 0.78 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 3hq0 s ILE 96 Cb -0.17 -3.77 0.17 0.00 0.01 0.00 0.00 42.46 38.70 3hq0 s ILE 96 CO 0.02 0.19 1.12 -2.16 0.00 0.00 0.00 174.94 174.11 3hq0 s PRO 97 N 1.67 0.67 0.22 2.79 0.04 -1.26 -0.25 135.00 138.87 3hq0 s PRO 97 Ca 0.20 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3hq0 s PRO 97 Cb -0.15 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 3hq0 s PRO 97 CO 0.09 -2.81 1.34 0.00 0.04 0.00 0.00 177.00 175.66 3hq0 s ALA 98 N -2.63 3.55 0.00 8.56 0.00 -1.26 -3.02 121.76 126.96 3hq0 s ALA 98 Ca 0.67 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.80 3hq0 s ALA 98 Cb -0.23 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3hq0 s ALA 98 CO 0.59 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3hq0 n GLY 99 N 2.25 2.01 0.30 0.00 0.00 0.27 -4.86 105.19 105.16 3hq0 n GLY 99 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 3.01 0.15 -5.97 1.61 4.22 -1.80 -3.36 114.58 112.45 3hq0 h GLU 100 Ca 0.00 -0.01 -0.68 0.00 0.08 0.00 0.00 59.36 58.75 3hq0 h GLU 100 Cb 0.00 -0.03 -0.24 0.00 0.50 0.00 0.00 28.75 28.97 3hq0 h GLU 100 CO 0.00 0.10 -0.76 -1.64 -2.18 0.00 0.00 179.01 174.53 3hq0 s MET 101 N -5.18 2.83 0.33 1.92 -1.94 -1.26 -5.08 119.30 110.92 3hq0 s MET 101 Ca -0.06 -0.68 -0.28 0.00 -1.71 0.00 0.00 55.69 52.97 3hq0 s MET 101 Cb 0.18 -2.49 -0.13 0.00 2.01 0.00 0.00 34.83 34.41 3hq0 s MET 101 CO 0.70 0.49 1.16 1.28 -0.01 0.00 0.00 175.02 178.64 3hq0 n LEU 102 N 2.72 2.84 -1.91 -0.03 4.77 -1.26 -2.12 117.00 122.01 3hq0 n LEU 102 Ca -0.18 1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.89 3hq0 n LEU 102 Cb 0.52 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 3hq0 n LEU 102 CO 0.27 -0.92 -0.10 -0.62 -1.33 0.00 0.00 177.39 174.69 3hq0 n GLU 103 N 0.55 -1.86 -4.52 3.23 -0.58 -1.26 -4.94 120.64 111.27 3hq0 n GLU 103 Ca 0.07 0.49 -0.26 0.00 -0.42 0.00 0.00 57.16 57.03 3hq0 n GLU 103 Cb 0.35 -4.87 -0.13 0.00 -0.57 0.00 0.00 31.44 26.21 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 -2.14 1.88 0.53 2.62 2.01 -0.90 -1.12 115.64 118.51 3hq0 s THR 104 Ca 0.00 -1.46 -0.04 0.00 0.31 0.00 0.00 61.69 60.50 3hq0 s THR 104 Cb 0.00 -1.66 0.11 0.00 0.01 0.00 0.00 72.50 70.96 3hq0 s THR 104 CO 0.00 0.12 0.72 0.61 -0.69 0.00 0.00 174.62 175.38 3hq0 n GLY 105 N 1.40 -0.07 3.66 4.40 0.00 0.66 -0.57 105.19 114.67 3hq0 n GLY 105 Ca -0.18 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 3hq0 n GLY 105 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hq0 n GLU 106 N -2.41 0.67 -4.17 1.61 0.28 -1.26 -4.45 120.64 110.90 3hq0 n GLU 106 Ca 0.11 0.29 -0.18 0.00 -0.16 0.00 0.00 57.16 57.22 3hq0 n GLU 106 Cb 0.37 -2.35 -0.12 0.00 1.43 0.00 0.00 31.44 30.77 3hq0 n GLU 106 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 3hq0 s ARG 107 N -3.44 0.77 -0.29 3.44 0.52 0.65 -4.38 118.95 116.23 3hq0 s ARG 107 Ca 0.77 -0.89 -0.10 0.00 -0.52 0.00 0.00 55.73 54.99 3hq0 s ARG 107 Cb -0.35 -0.74 -0.02 0.00 0.52 0.00 0.00 34.95 34.35 3hq0 s ARG 107 CO 0.47 0.16 0.14 0.08 0.02 0.00 0.00 175.30 176.18 3hq0 s VAL 108 N -1.23 4.74 0.15 3.52 1.01 0.21 -0.48 120.40 128.33 3hq0 s VAL 108 Ca -0.03 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 61.84 3hq0 s VAL 108 Cb -0.10 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3hq0 s VAL 108 CO 0.02 0.18 -0.14 -0.60 0.00 0.00 0.00 175.10 174.56 3hq0 s ARG 109 N 1.66 1.92 0.14 2.72 3.52 0.36 -1.26 118.95 128.00 3hq0 s ARG 109 Ca 0.06 -1.23 -0.24 0.00 -0.13 0.00 0.00 55.73 54.19 3hq0 s ARG 109 Cb -0.16 -2.13 0.07 0.00 -1.56 0.00 0.00 34.95 31.16 3hq0 s ARG 109 CO 0.07 0.46 0.71 -0.59 -0.81 0.00 0.00 175.30 175.13 3hq0 s PHE 110 N -1.43 -0.42 -0.04 5.12 -0.12 -0.82 -1.21 117.98 119.06 3hq0 s PHE 110 Ca 0.22 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 3hq0 s PHE 110 Cb -0.10 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 3hq0 s PHE 110 CO 0.13 -0.83 -0.01 -2.00 -0.05 0.00 0.00 175.22 172.45 3hq0 s GLU 111 N -3.59 2.84 0.47 1.99 2.12 -1.26 -1.19 118.70 120.08 3hq0 s GLU 111 Ca 0.04 -0.53 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 3hq0 s GLU 111 Cb -0.02 -2.70 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 3hq0 s GLU 111 CO -0.08 0.66 0.73 -0.51 -0.54 0.00 0.00 175.26 175.51 3hq0 s LEU 112 N -1.17 3.62 0.61 2.70 1.43 -0.49 -4.95 118.68 120.43 3hq0 s LEU 112 Ca 0.16 0.58 0.33 0.00 -1.03 0.00 0.00 54.13 54.17 3hq0 s LEU 112 Cb -0.11 -3.47 1.90 0.00 0.03 0.00 0.00 46.19 44.54 3hq0 s LEU 112 CO 0.06 -0.67 2.21 -0.65 0.23 0.00 0.00 176.35 177.52 3hq0 h PRO 113 N 0.30 0.00 -0.00 1.29 0.11 -1.88 0.17 132.00 131.98 3hq0 h PRO 113 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hq0 h PRO 113 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hq0 h PRO 113 CO 0.60 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.26 3hq0 n SER 114 N -3.58 0.23 0.00 -2.05 3.41 -1.20 -4.74 113.62 105.70 3hq0 n SER 114 Ca -0.01 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3hq0 n SER 114 Cb 0.18 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.01 0.78 3.84 5.00 0.00 0.61 -0.35 105.19 116.08 3hq0 n GLY 115 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.93 3.64 -0.13 1.61 3.76 -1.26 -4.11 115.29 115.87 3hq0 s HIS 116 Ca 0.00 1.01 -0.21 0.00 -0.15 0.00 0.00 55.06 55.71 3hq0 s HIS 116 Cb 0.00 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 3hq0 s HIS 116 CO 0.00 0.50 0.59 -0.51 -0.85 0.00 0.00 174.74 174.47 3hq0 s LEU 117 N -1.74 4.24 0.04 0.89 1.43 -1.26 -1.40 118.68 120.88 3hq0 s LEU 117 Ca 0.34 0.93 0.09 0.00 -1.03 0.00 0.00 54.13 54.45 3hq0 s LEU 117 Cb -0.15 -2.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.17 3hq0 s LEU 117 CO 0.18 -0.13 -0.26 -0.63 0.23 0.00 0.00 176.35 175.75 3hq0 s ILE 118 N 1.12 2.08 0.15 -0.59 -1.09 -0.33 -1.98 121.20 120.56 3hq0 s ILE 118 Ca 0.30 -1.35 0.07 0.00 -2.23 0.00 0.00 60.65 57.44 3hq0 s ILE 118 Cb -0.16 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 3hq0 s ILE 118 CO 0.13 0.36 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.44 3hq0 s GLU 119 N -1.19 1.13 -0.02 2.79 2.02 -0.10 -1.94 118.70 121.39 3hq0 s GLU 119 Ca 0.11 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 53.78 3hq0 s GLU 119 Cb -0.10 -1.00 -0.00 0.00 0.10 0.00 0.00 34.13 33.13 3hq0 s GLU 119 CO 0.02 0.18 -0.10 -0.51 0.02 0.00 0.00 175.26 174.88 3hq0 s LEU 120 N -2.71 1.90 -0.03 1.80 1.02 -0.39 0.50 118.68 120.77 3hq0 s LEU 120 Ca 0.13 -0.19 -0.15 0.00 0.02 0.00 0.00 54.13 53.94 3hq0 s LEU 120 Cb -0.04 -0.54 0.03 0.00 0.02 0.00 0.00 46.19 45.66 3hq0 s LEU 120 CO 0.04 0.09 0.34 -0.72 0.02 0.00 0.00 176.35 176.12 3hq0 s TYR 121 N -0.01 -0.23 -0.35 0.29 1.13 -0.45 -0.62 117.35 117.11 3hq0 s TYR 121 Ca 0.00 0.40 0.14 0.00 -1.41 0.00 0.00 57.07 56.20 3hq0 s TYR 121 Cb -0.06 0.12 -0.18 0.00 -1.10 0.00 0.00 41.96 40.74 3hq0 s TYR 121 CO 0.00 -0.38 0.45 0.00 -2.51 0.00 0.00 175.55 173.11 3hq0 n ALA 122 N 1.46 3.19 -3.49 9.51 0.00 -1.26 -0.13 120.51 129.78 3hq0 n ALA 122 Ca -0.20 -0.36 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 3hq0 n ALA 122 Cb 0.56 -0.48 -0.16 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.59 1.16 -0.23 0.00 2.02 -1.26 -4.75 118.70 113.06 3hq0 s GLU 123 Ca 0.00 -0.24 -0.13 0.00 0.02 0.00 0.00 54.97 54.62 3hq0 s GLU 123 Cb 0.10 -1.04 0.07 0.00 0.10 0.00 0.00 34.13 33.35 3hq0 s GLU 123 CO 0.56 -0.01 0.56 0.21 0.02 0.00 0.00 175.26 176.60 3hq0 s LYS 124 N 0.72 0.56 0.18 1.61 2.20 -1.26 -0.24 119.74 123.51 3hq0 s LYS 124 Ca -0.12 1.01 -0.33 0.00 -0.36 0.00 0.00 55.97 56.17 3hq0 s LYS 124 Cb -0.14 0.08 -0.14 0.00 -1.51 0.00 0.00 37.83 36.11 3hq0 s LYS 124 CO 0.02 -0.15 1.43 2.41 -0.36 0.00 0.00 175.35 178.70 3hq0 n THR 125 N 4.21 0.48 -3.22 3.43 -1.04 -0.27 -4.76 114.28 113.11 3hq0 n THR 125 Ca -0.21 -0.12 -0.39 0.00 -2.04 0.00 0.00 64.05 61.28 3hq0 n THR 125 Cb 0.57 -1.33 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 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 4.48 0.00 0.00 0.00 0.24 0.20 -4.91 118.33 118.35 3hq0 n VAL 127 Ca -0.04 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3hq0 n VAL 127 Cb 0.50 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 1.26 -1.03 1.48 7.63 0.00 -0.31 -4.67 105.19 109.55 3hq0 n GLY 128 Ca 0.01 -1.65 0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.57 4.67 0.00 1.61 2.04 -1.25 -4.63 115.26 116.14 3hq0 n ASN 129 Ca 0.00 -2.55 0.00 0.00 -0.44 0.00 0.00 54.58 51.59 3hq0 n ASN 129 Cb 0.00 -0.56 0.00 0.00 -2.53 0.00 0.00 39.78 36.69 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 0.81 2.81 3.89 4.83 0.00 -1.26 -4.81 105.19 111.45 3hq0 n GLY 130 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.01 5.08 0.65 -0.61 1.01 -1.26 -5.06 121.20 119.00 3hq0 s ILE 131 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.70 3hq0 s ILE 131 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 3hq0 s ILE 131 CO 0.00 0.02 1.15 -0.94 0.00 0.00 0.00 174.94 175.17 3hq0 s SER 132 N -2.37 5.02 0.00 3.58 1.04 -1.26 -4.91 113.70 114.79 3hq0 s SER 132 Ca 0.43 2.17 0.30 0.00 0.48 0.00 0.00 55.95 59.33 3hq0 s SER 132 Cb -0.12 -2.57 1.51 0.00 0.10 0.00 0.00 66.02 64.94 3hq0 s SER 132 CO 0.23 -1.70 2.01 -0.62 0.98 0.00 0.00 173.24 174.14 3hq0 n GLU 133 N -2.17 1.01 -4.29 4.02 1.02 -1.26 -3.97 120.64 114.99 3hq0 n GLU 133 Ca 0.12 -0.27 -0.28 0.00 -0.02 0.00 0.00 57.16 56.71 3hq0 n GLU 133 Cb 0.51 -1.49 -0.17 0.00 -0.02 0.00 0.00 31.44 30.27 3hq0 n GLU 133 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hq0 s VAL 134 N -2.18 1.41 -1.24 2.62 1.01 -1.26 -4.80 120.40 115.96 3hq0 s VAL 134 Ca 0.39 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3hq0 s VAL 134 Cb 0.21 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3hq0 s VAL 134 CO 0.40 0.43 0.66 0.59 0.00 0.00 0.00 175.10 177.17 3hq0 n ASN 135 N 4.40 -3.44 -4.64 3.32 3.02 -1.26 -4.82 115.26 111.83 3hq0 n ASN 135 Ca -0.18 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 52.92 3hq0 n ASN 135 Cb 0.51 -3.18 -0.03 0.00 -0.61 0.00 0.00 39.78 36.47 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 -6.27 3.85 0.67 3.52 0.04 -1.25 -4.92 135.00 130.63 3hq0 s PRO 136 Ca 0.30 2.45 -0.17 0.00 0.04 0.00 0.00 61.00 63.62 3hq0 s PRO 136 Cb -0.12 -4.23 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 3hq0 s PRO 136 CO 0.88 -1.29 0.56 0.00 0.04 0.00 0.00 177.00 177.19 3hq0 n ALA 137 N 8.75 -1.26 -0.35 8.56 0.00 -1.26 -4.84 120.51 130.11 3hq0 n ALA 137 Ca 0.23 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 3hq0 n ALA 137 Cb 0.42 -1.87 -0.08 0.00 0.00 0.00 0.00 19.45 17.92 3hq0 n ALA 137 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hq0 n PRO 138 N -0.56 -0.37 -3.60 0.00 -0.02 -1.26 -4.80 135.00 124.39 3hq0 n PRO 138 Ca 0.11 1.33 -0.07 0.00 -2.02 0.00 0.00 63.50 62.85 3hq0 n PRO 138 Cb 0.49 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3hq0 n PRO 138 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3hq0 s TRP 139 N -5.24 -0.29 0.11 6.00 1.48 -1.26 -5.19 118.94 114.55 3hq0 s TRP 139 Ca -0.10 0.06 0.01 0.00 -1.06 0.00 0.00 56.10 55.02 3hq0 s TRP 139 Cb 0.09 0.59 0.01 0.00 -1.16 0.00 0.00 33.47 33.00 3hq0 s TRP 139 CO 0.51 -0.73 0.11 0.27 -4.06 0.00 0.00 176.95 173.06 3hq0 n ASN 140 N -0.36 0.92 0.22 -2.66 0.23 -1.26 -5.02 115.26 107.34 3hq0 n ASN 140 Ca -0.09 -1.33 0.09 0.00 -0.53 0.00 0.00 54.58 52.72 3hq0 n ASN 140 Cb 0.62 -0.04 0.52 0.00 -2.08 0.00 0.00 39.78 38.80 3hq0 n ASN 140 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hq0 h ALA 141 N 0.60 1.20 -0.85 -2.53 0.00 -2.01 -2.76 119.26 112.90 3hq0 h ALA 141 Ca -0.06 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.81 3hq0 h ALA 141 Cb 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3hq0 h ALA 141 CO 0.09 0.30 0.56 1.96 0.00 0.00 0.00 179.25 182.17 3hq0 h GLN 142 N 0.00 0.42 -1.04 0.00 4.20 -1.96 -0.43 115.11 116.31 3hq0 h GLN 142 Ca -0.00 -0.03 0.27 0.00 0.06 0.00 0.00 58.65 58.96 3hq0 h GLN 142 Cb 0.59 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.20 3hq0 h GLN 142 CO 0.03 0.28 0.70 0.00 -0.67 0.00 0.00 178.83 179.17 3hq0 h ARG 143 N 0.44 0.25 -0.22 1.46 2.47 -1.87 -1.21 114.38 115.70 3hq0 h ARG 143 Ca 0.43 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 3hq0 h ARG 143 Cb 1.02 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3hq0 h ARG 143 CO -0.16 0.17 0.00 0.39 0.56 0.00 0.00 179.97 180.93 3hq0 n GLU 144 N -4.47 2.64 -2.76 0.04 1.02 -0.18 -4.73 120.64 112.20 3hq0 n GLU 144 Ca 0.24 -2.59 -0.42 0.00 -0.02 0.00 0.00 57.16 54.37 3hq0 n GLU 144 Cb 0.95 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.42 2.56 0.00 -0.32 2.46 -0.46 -4.88 115.29 112.24 3hq0 s HIS 145 Ca 0.35 -0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.55 3hq0 s HIS 145 Cb 0.27 -4.38 0.00 0.00 -0.13 0.00 0.00 32.58 28.34 3hq0 s HIS 145 CO 0.09 -1.75 0.00 0.41 -2.47 0.00 0.00 174.74 171.01 3hq0 n GLY 146 N 5.32 -0.20 0.28 1.59 0.00 -1.26 -3.51 105.19 107.40 3hq0 n GLY 146 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 44.99 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 -5.65 -0.61 2.04 -0.93 -3.45 117.51 109.78 3hq0 h ILE 147 Ca 0.00 -0.23 -0.18 0.00 1.00 0.00 0.00 64.86 65.45 3hq0 h ILE 147 Cb 0.00 0.16 0.07 0.00 -0.74 0.00 0.00 36.82 36.30 3hq0 h ILE 147 CO 0.00 0.12 -0.48 0.00 0.00 0.00 0.00 178.15 177.79 3hq0 n ALA 148 N -2.39 -2.54 -1.23 1.87 0.00 0.12 -4.95 120.51 111.39 3hq0 n ALA 148 Ca 0.11 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 3hq0 n ALA 148 Cb 0.26 -2.97 0.11 0.00 0.00 0.00 0.00 19.45 16.85 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 -4.00 1.89 -0.01 0.00 0.04 -1.26 -4.95 135.00 126.72 3hq0 s PRO 149 Ca 0.19 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.25 3hq0 s PRO 149 Cb -0.04 -1.86 -0.27 0.00 0.04 0.00 0.00 34.50 32.36 3hq0 s PRO 149 CO 0.78 -1.86 0.82 0.82 0.04 0.00 0.00 177.00 177.59 3hq0 h ILE 150 N -1.28 1.11 -2.35 0.56 5.03 -0.81 -3.35 117.51 116.41 3hq0 h ILE 150 Ca -0.46 -2.76 0.04 0.00 -0.12 0.00 0.00 64.86 61.57 3hq0 h ILE 150 Cb 1.25 2.73 -0.16 0.00 -3.03 0.00 0.00 36.82 37.61 3hq0 h ILE 150 CO 0.52 0.81 0.37 0.00 -0.68 0.00 0.00 178.15 179.17 3hq0 s GLN 151 N -2.61 0.96 -0.27 2.37 -2.07 -1.26 -3.92 119.66 112.86 3hq0 s GLN 151 Ca -0.10 -0.20 -0.29 0.00 -1.82 0.00 0.00 55.36 52.95 3hq0 s GLN 151 Cb 0.07 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 32.43 3hq0 s GLN 151 CO 0.85 -0.39 1.42 -1.17 -1.32 0.00 0.00 175.29 174.68 3hq0 s LEU 152 N -2.17 3.89 -0.07 2.60 2.96 -1.26 -2.06 118.68 122.57 3hq0 s LEU 152 Ca 0.00 1.37 -0.08 0.00 -0.22 0.00 0.00 54.13 55.20 3hq0 s LEU 152 Cb -0.01 -3.54 -0.29 0.00 0.50 0.00 0.00 46.19 42.86 3hq0 s LEU 152 CO -0.06 -1.14 0.59 -0.78 -1.32 0.00 0.00 176.35 173.63 3hq0 h ASP 153 N 9.83 0.51 0.00 3.68 3.58 -1.22 -3.44 116.42 129.35 3hq0 h ASP 153 Ca -0.29 -0.88 0.00 0.00 0.42 0.00 0.00 57.03 56.28 3hq0 h ASP 153 Cb 1.12 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3hq0 h ASP 153 CO 1.02 1.76 0.00 0.00 -2.88 0.00 0.00 179.24 179.14 3hq0 n HIS 154 N -3.53 0.00 -3.70 0.28 1.44 -1.22 -4.55 115.22 103.94 3hq0 n HIS 154 Ca -0.26 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.34 3hq0 n HIS 154 Cb 1.06 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 31.12 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 -2.61 1.81 -0.04 0.00 0.20 0.53 -1.82 118.68 116.74 3hq0 s LEU 156 Ca 0.01 -0.52 0.02 0.00 0.69 0.00 0.00 54.13 54.34 3hq0 s LEU 156 Cb 0.02 -1.24 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 3hq0 s LEU 156 CO -0.09 -0.02 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.10 3hq0 s LEU 157 N 1.29 3.05 -0.14 -0.68 1.02 -0.15 -0.95 118.68 122.13 3hq0 s LEU 157 Ca 0.02 -0.10 -0.04 0.00 0.02 0.00 0.00 54.13 54.03 3hq0 s LEU 157 Cb -0.13 -1.68 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 3hq0 s LEU 157 CO -0.09 0.34 -0.02 -0.31 0.02 0.00 0.00 176.35 176.29 3hq0 s TYR 158 N -0.84 3.08 0.00 0.29 1.51 0.12 -1.16 117.35 120.35 3hq0 s TYR 158 Ca 0.13 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 3hq0 s TYR 158 Cb -0.11 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.81 3hq0 s TYR 158 CO 0.03 0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.98 3hq0 n GLY 159 N 3.22 0.18 3.95 0.71 0.00 -0.92 -1.85 105.19 110.47 3hq0 n GLY 159 Ca -0.17 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 3hq0 n GLY 159 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hq0 s PRO 160 N -2.00 2.73 -0.98 1.61 0.04 -0.45 -0.66 135.00 135.29 3hq0 s PRO 160 Ca 0.00 -0.44 -0.02 0.00 0.04 0.00 0.00 61.00 60.58 3hq0 s PRO 160 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3hq0 s PRO 160 CO 0.00 -0.66 0.28 0.09 0.04 0.00 0.00 177.00 176.75 3hq0 n ASN 161 N -2.41 -4.23 -0.01 6.66 3.02 -1.26 -3.22 115.26 113.81 3hq0 n ASN 161 Ca 0.05 -0.13 0.13 0.00 -0.03 0.00 0.00 54.58 54.60 3hq0 n ASN 161 Cb 0.59 -3.19 0.56 0.00 -0.61 0.00 0.00 39.78 37.13 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 -0.63 0.88 -0.54 2.41 1.08 -1.94 -0.73 117.51 118.04 3hq0 h ILE 162 Ca -0.32 -0.09 -0.00 0.00 -0.39 0.00 0.00 64.86 64.06 3hq0 h ILE 162 Cb 1.22 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 3hq0 h ILE 162 CO 0.35 0.05 0.33 0.00 -0.69 0.00 0.00 178.15 178.18 3hq0 h ALA 163 N 1.75 0.69 -0.32 1.87 0.00 -1.90 0.05 119.26 121.40 3hq0 h ALA 163 Ca 0.23 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3hq0 h ALA 163 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hq0 h ALA 163 CO -0.05 0.17 -0.23 0.93 0.00 0.00 0.00 179.25 180.08 3hq0 h GLU 164 N 0.73 0.61 -0.59 0.00 5.08 -1.56 -2.96 114.58 115.89 3hq0 h GLU 164 Ca 0.19 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3hq0 h GLU 164 Cb -0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3hq0 h GLU 164 CO -0.04 0.79 0.24 0.28 -1.00 0.00 0.00 179.01 179.28 3hq0 h VAL 165 N 0.54 1.23 -0.53 3.13 2.07 -0.63 -2.83 116.25 119.23 3hq0 h VAL 165 Ca 0.08 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3hq0 h VAL 165 Cb 0.68 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3hq0 h VAL 165 CO 0.05 0.27 0.33 -0.61 0.02 0.00 0.00 177.57 177.63 3hq0 h GLN 166 N 0.82 0.63 -0.79 1.57 4.15 -0.85 -2.51 115.11 118.13 3hq0 h GLN 166 Ca 0.20 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.60 3hq0 h GLN 166 Cb 0.20 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 3hq0 h GLN 166 CO -0.02 0.42 0.51 0.87 -1.93 0.00 0.00 178.83 178.69 3hq0 h LYS 167 N 0.65 1.00 -0.42 1.69 1.57 -1.38 -0.56 116.57 119.13 3hq0 h LYS 167 Ca 0.21 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3hq0 h LYS 167 Cb 0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3hq0 h LYS 167 CO -0.09 0.66 0.24 0.82 -0.57 0.00 0.00 179.45 180.51 3hq0 h ILE 168 N 1.03 1.15 -0.36 1.86 2.04 -1.23 0.24 117.51 122.23 3hq0 h ILE 168 Ca 0.30 -0.37 -0.16 0.00 1.00 0.00 0.00 64.86 65.63 3hq0 h ILE 168 Cb -0.07 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3hq0 h ILE 168 CO -0.08 0.15 -0.39 -0.26 0.00 0.00 0.00 178.15 177.57 3hq0 h PHE 169 N 0.55 1.05 0.13 1.37 -1.00 -1.12 -0.62 116.94 117.30 3hq0 h PHE 169 Ca 0.15 -0.32 -0.23 0.00 2.81 0.00 0.00 57.97 60.39 3hq0 h PHE 169 Cb 0.04 -0.22 0.01 0.00 3.61 0.00 0.00 35.95 39.39 3hq0 h PHE 169 CO -0.03 1.12 -1.08 1.79 -1.61 0.00 0.00 178.31 178.51 3hq0 h THR 170 N 0.72 1.31 0.04 -1.55 1.35 -1.06 0.61 112.91 114.33 3hq0 h THR 170 Ca 0.06 -2.48 -0.23 0.00 -0.55 0.00 0.00 66.41 63.20 3hq0 h THR 170 Cb 0.97 2.99 -0.02 0.00 -1.73 0.00 0.00 68.15 70.37 3hq0 h THR 170 CO 0.09 0.71 -1.07 -0.33 -0.25 0.00 0.00 175.52 174.67 3hq0 h GLU 171 N -0.34 0.10 0.00 4.72 5.08 -0.65 -3.33 114.58 120.17 3hq0 h GLU 171 Ca -0.21 -0.17 -0.34 0.00 -1.00 0.00 0.00 59.36 57.63 3hq0 h GLU 171 Cb 1.70 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.96 3hq0 h GLU 171 CO 0.11 1.07 -2.17 0.28 -1.00 0.00 0.00 179.01 177.30 3hq0 n VAL 172 N -3.44 1.15 1.12 3.13 0.31 -0.31 -4.75 118.33 115.55 3hq0 n VAL 172 Ca -0.03 -0.33 0.13 0.00 -0.01 0.00 0.00 64.34 64.10 3hq0 n VAL 172 Cb 0.96 -1.63 0.39 0.00 -0.91 0.00 0.00 33.84 32.64 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 -3.72 0.55 0.00 7.52 4.77 -0.76 -4.96 117.00 120.41 3hq0 n LEU 173 Ca -0.40 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 3hq0 n LEU 173 Cb 0.82 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3hq0 n LEU 173 CO 0.07 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 3hq0 n GLY 174 N 1.43 0.66 3.95 -0.72 0.00 -0.63 -4.33 105.19 105.55 3hq0 n GLY 174 Ca 0.09 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 2.87 0.02 1.61 0.40 0.11 -4.71 117.98 116.27 3hq0 s PHE 175 Ca 0.00 0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 56.54 3hq0 s PHE 175 Cb 0.00 -3.02 -0.01 0.00 0.51 0.00 0.00 43.02 40.50 3hq0 s PHE 175 CO 0.00 -1.21 0.05 1.52 0.70 0.00 0.00 175.22 176.28 3hq0 s TYR 176 N -3.05 0.18 -0.14 0.36 -0.85 0.11 -4.09 117.35 109.86 3hq0 s TYR 176 Ca 0.59 -0.39 -0.29 0.00 -0.52 0.00 0.00 57.07 56.46 3hq0 s TYR 176 Cb -0.10 -0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.08 3hq0 s TYR 176 CO 0.42 -0.25 1.25 -1.17 -1.52 0.00 0.00 175.55 174.28 3hq0 s LEU 177 N -1.54 4.21 -0.22 -3.49 0.20 -1.26 -1.87 118.68 114.70 3hq0 s LEU 177 Ca -0.14 1.73 -0.08 0.00 0.69 0.00 0.00 54.13 56.33 3hq0 s LEU 177 Cb -0.08 -3.54 -0.18 0.00 -0.43 0.00 0.00 46.19 41.96 3hq0 s LEU 177 CO -0.01 -0.72 -0.04 0.52 -0.29 0.00 0.00 176.35 175.81 3hq0 n VAL 178 N 5.18 1.58 -3.97 1.68 0.31 0.10 -4.09 118.33 119.12 3hq0 n VAL 178 Ca 0.13 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.92 3hq0 n VAL 178 Cb 0.45 -1.71 -0.10 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.50 0.58 0.02 5.55 2.02 -1.17 -1.31 118.70 121.89 3hq0 s GLU 179 Ca -0.32 -0.87 -0.11 0.00 0.02 0.00 0.00 54.97 53.69 3hq0 s GLU 179 Cb 0.09 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.56 3hq0 s GLU 179 CO 0.61 -0.14 0.23 -0.98 0.02 0.00 0.00 175.26 175.01 3hq0 s ARG 180 N -2.91 0.66 -0.24 1.61 1.70 -0.34 -1.17 118.95 118.25 3hq0 s ARG 180 Ca -0.02 -0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 54.78 3hq0 s ARG 180 Cb 0.01 0.28 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 3hq0 s ARG 180 CO -0.06 -0.19 -0.07 0.08 -1.08 0.00 0.00 175.30 173.98 3hq0 s VAL 181 N -1.98 2.79 0.57 4.99 1.01 -0.59 -0.55 120.40 126.63 3hq0 s VAL 181 Ca -0.09 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 3hq0 s VAL 181 Cb -0.04 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3hq0 s VAL 181 CO -0.00 0.21 1.13 -0.76 0.00 0.00 0.00 175.10 175.67 3hq0 s LEU 182 N 1.31 3.67 0.53 3.92 1.02 -0.44 0.70 118.68 129.39 3hq0 s LEU 182 Ca -0.00 2.15 -0.03 0.00 0.02 0.00 0.00 54.13 56.27 3hq0 s LEU 182 Cb -0.17 -4.58 0.01 0.00 0.02 0.00 0.00 46.19 41.48 3hq0 s LEU 182 CO -0.05 -1.32 0.80 -0.94 0.02 0.00 0.00 176.35 174.86 3hq0 s SER 183 N -1.93 5.64 -0.24 2.29 1.04 -1.11 -3.09 113.70 116.30 3hq0 s SER 183 Ca 0.72 0.48 -0.28 0.00 0.48 0.00 0.00 55.95 57.34 3hq0 s SER 183 Cb -0.23 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 3hq0 s SER 183 CO 0.30 -0.94 1.93 -2.84 0.98 0.00 0.00 173.24 172.68 3hq0 s PRO 184 N -4.80 3.41 -0.05 4.02 0.02 -1.26 -3.95 135.00 132.38 3hq0 s PRO 184 Ca 0.52 1.78 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 3hq0 s PRO 184 Cb -0.10 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.19 3hq0 s PRO 184 CO 0.42 -1.78 0.03 -3.47 -0.33 0.00 0.00 177.00 171.87 3hq0 n ASP 185 N 10.25 -0.25 0.00 2.53 -0.08 -1.26 -4.69 116.55 123.05 3hq0 n ASP 185 Ca 0.24 -0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 3hq0 n ASP 185 Cb 0.45 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3hq0 n ASP 185 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3hq0 n GLY 186 N -0.68 0.79 3.44 0.27 0.00 -1.25 -5.01 105.19 102.74 3hq0 n GLY 186 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3hq0 n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hq0 n ASP 187 N -0.37 -5.61 -3.66 1.61 4.64 -1.26 -4.97 116.55 106.92 3hq0 n ASP 187 Ca 0.00 -0.49 -0.17 0.00 -1.38 0.00 0.00 54.79 52.76 3hq0 n ASP 187 Cb 0.00 -4.49 -0.15 0.00 -1.04 0.00 0.00 41.12 35.43 3hq0 n ASP 187 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3hq0 s SER 188 N -3.02 0.79 0.25 1.67 1.04 -1.26 -5.03 113.70 108.13 3hq0 s SER 188 Ca 0.48 0.30 -0.31 0.00 0.48 0.00 0.00 55.95 56.91 3hq0 s SER 188 Cb -0.23 0.28 -0.13 0.00 0.10 0.00 0.00 66.02 66.05 3hq0 s SER 188 CO 0.60 -0.25 1.55 0.47 0.98 0.00 0.00 173.24 176.59 3hq0 n ASP 189 N 5.33 3.42 0.18 7.02 8.00 -1.26 -2.74 116.55 136.50 3hq0 n ASP 189 Ca -0.05 1.12 0.12 0.00 0.71 0.00 0.00 54.79 56.70 3hq0 n ASP 189 Cb 0.50 -1.52 0.17 0.00 -0.02 0.00 0.00 41.12 40.25 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 5.05 0.00 -2.34 -1.24 2.86 0.06 -3.45 114.93 115.87 3hq0 h MET 190 Ca -0.45 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.11 3hq0 h MET 190 Cb 1.24 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.69 3hq0 h MET 190 CO 0.82 0.00 -0.01 0.20 1.06 0.00 0.00 176.91 178.98 3hq0 s GLY 191 N -4.14 -0.43 -0.01 8.32 0.00 -1.11 -1.13 107.32 108.82 3hq0 s GLY 191 Ca 0.06 1.37 0.03 0.00 0.00 0.00 0.00 44.72 46.18 3hq0 s GLY 191 CO 0.68 1.11 -0.08 -0.26 0.00 0.00 0.00 173.10 174.55 3hq0 s ILE 192 N -0.33 0.68 -0.29 0.90 -4.36 0.19 -1.54 121.20 116.44 3hq0 s ILE 192 Ca -0.05 -0.35 -0.02 0.00 -0.26 0.00 0.00 60.65 59.96 3hq0 s ILE 192 Cb -0.03 -0.57 0.04 0.00 1.25 0.00 0.00 42.46 43.14 3hq0 s ILE 192 CO 0.04 0.20 -0.01 0.26 0.24 0.00 0.00 174.94 175.66 3hq0 s TRP 193 N -0.13 3.19 -0.09 1.37 0.51 -0.32 -1.35 118.94 122.12 3hq0 s TRP 193 Ca 0.02 -1.71 -0.02 0.00 -2.12 0.00 0.00 56.10 52.28 3hq0 s TRP 193 Cb -0.04 -2.10 -0.03 0.00 -0.81 0.00 0.00 33.47 30.48 3hq0 s TRP 193 CO -0.00 -0.77 -0.02 -0.51 -0.51 0.00 0.00 176.95 175.14 3hq0 s LEU 194 N 1.29 3.44 0.05 2.99 1.43 -0.13 -0.72 118.68 127.04 3hq0 s LEU 194 Ca -0.03 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 3hq0 s LEU 194 Cb -0.19 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 3hq0 s LEU 194 CO -0.02 0.34 -0.22 -0.55 0.23 0.00 0.00 176.35 176.14 3hq0 s SER 195 N -0.67 2.58 -0.13 2.29 0.15 -0.78 -0.14 113.70 116.99 3hq0 s SER 195 Ca 0.10 -0.54 0.16 0.00 0.70 0.00 0.00 55.95 56.37 3hq0 s SER 195 Cb -0.12 -0.21 0.29 0.00 -1.71 0.00 0.00 66.02 64.27 3hq0 s SER 195 CO 0.02 0.17 1.15 0.00 1.20 0.00 0.00 173.24 175.78 3hq0 n SER 197 N -1.22 2.13 -0.59 0.00 3.41 -1.26 -4.78 113.62 111.31 3hq0 n SER 197 Ca 0.15 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.82 3hq0 n SER 197 Cb 0.67 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.77 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 0.00 -3.14 7.33 1.44 -1.26 -4.60 115.22 114.99 3hq0 n HIS 198 Ca 0.00 -1.15 -0.28 0.00 -2.01 0.00 0.00 57.72 54.28 3hq0 n HIS 198 Cb 0.00 -0.20 -0.02 0.00 0.12 0.00 0.00 29.99 29.89 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 -2.51 3.62 0.41 -1.40 1.02 -1.26 -3.64 119.74 115.98 3hq0 s LYS 199 Ca 0.34 0.06 0.14 0.00 0.02 0.00 0.00 55.97 56.53 3hq0 s LYS 199 Cb 0.33 -2.56 0.99 0.00 -0.52 0.00 0.00 37.83 36.07 3hq0 s LYS 199 CO -0.05 0.09 1.92 0.28 -0.92 0.00 0.00 175.35 176.66 3hq0 h VAL 200 N 1.02 0.83 -1.28 3.17 2.07 -1.93 -3.43 116.25 116.70 3hq0 h VAL 200 Ca -0.48 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.03 3hq0 h VAL 200 Cb 1.20 0.30 -0.29 0.00 -1.52 0.00 0.00 31.29 30.98 3hq0 h VAL 200 CO 0.64 0.09 0.73 -1.38 0.02 0.00 0.00 177.57 177.67 3hq0 s HIS 201 N -5.47 -0.21 -0.48 1.57 0.00 -1.26 -4.60 115.29 104.84 3hq0 s HIS 201 Ca -0.08 0.47 0.17 0.00 -3.00 0.00 0.00 55.06 52.61 3hq0 s HIS 201 Cb 0.21 0.45 -0.22 0.00 -4.00 0.00 0.00 32.58 29.02 3hq0 s HIS 201 CO 0.77 -0.13 0.58 -0.25 -1.00 0.00 0.00 174.74 174.71 3hq0 n ASP 202 N 1.42 0.88 -3.53 7.38 8.00 0.80 -4.73 116.55 126.77 3hq0 n ASP 202 Ca -0.09 -0.53 -0.11 0.00 0.71 0.00 0.00 54.79 54.77 3hq0 n ASP 202 Cb 0.57 1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 42.96 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 -2.86 0.00 0.01 0.53 2.07 -0.99 -4.05 121.20 115.91 3hq0 s ILE 203 Ca 0.01 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.13 3hq0 s ILE 203 Cb 0.12 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.73 3hq0 s ILE 203 CO 0.71 0.00 0.26 0.00 -1.91 0.00 0.00 174.94 174.00 3hq0 s ALA 204 N -2.04 -0.60 0.02 1.50 0.00 -0.76 -0.95 121.76 118.92 3hq0 s ALA 204 Ca -0.01 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.03 3hq0 s ALA 204 Cb -0.01 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3hq0 s ALA 204 CO -0.02 -0.31 -0.09 -0.06 0.00 0.00 0.00 175.76 175.28 3hq0 s PHE 205 N -1.90 0.77 -0.03 0.00 0.40 -0.46 -0.97 117.98 115.78 3hq0 s PHE 205 Ca -0.10 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 55.96 3hq0 s PHE 205 Cb -0.04 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 43.03 3hq0 s PHE 205 CO 0.00 -0.02 -0.12 0.08 0.70 0.00 0.00 175.22 175.86 3hq0 s VAL 206 N -0.73 1.05 0.24 -0.44 1.01 -0.31 -0.64 120.40 120.58 3hq0 s VAL 206 Ca -0.02 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 3hq0 s VAL 206 Cb -0.06 -0.92 -0.11 0.00 0.00 0.00 0.00 36.38 35.28 3hq0 s VAL 206 CO 0.00 0.32 1.65 -0.70 0.00 0.00 0.00 175.10 176.37 3hq0 s GLU 207 N 0.16 4.13 -0.25 2.72 2.56 -0.28 -2.17 118.70 125.58 3hq0 s GLU 207 Ca -0.04 2.57 -0.22 0.00 0.00 0.00 0.00 54.97 57.28 3hq0 s GLU 207 Cb -0.10 -3.06 0.06 0.00 2.00 0.00 0.00 34.13 33.03 3hq0 s GLU 207 CO 0.01 -0.69 0.65 -0.47 -0.56 0.00 0.00 175.26 174.21 3hq0 s TYR 208 N 0.67 -0.73 0.16 5.30 5.04 0.17 -4.74 117.35 123.22 3hq0 s TYR 208 Ca 0.69 1.76 -0.19 0.00 -2.44 0.00 0.00 57.07 56.89 3hq0 s TYR 208 Cb -0.48 0.26 0.07 0.00 0.35 0.00 0.00 41.96 42.15 3hq0 s TYR 208 CO 0.39 -0.35 1.66 -1.35 -1.34 0.00 0.00 175.55 174.55 3hq0 h PRO 209 N 5.21 -0.08 -6.99 4.97 0.11 -1.95 -1.21 132.00 132.07 3hq0 h PRO 209 Ca -0.29 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.31 3hq0 h PRO 209 Cb 1.17 0.02 0.07 0.00 0.11 0.00 0.00 31.00 32.37 3hq0 h PRO 209 CO 0.10 -0.05 0.52 -2.00 -0.21 0.00 0.00 178.00 176.36 3hq0 s GLU 210 N -6.18 3.73 0.13 1.05 2.56 -1.26 -4.56 118.70 114.17 3hq0 s GLU 210 Ca -0.14 1.89 0.00 0.00 0.00 0.00 0.00 54.97 56.72 3hq0 s GLU 210 Cb 0.13 -2.46 -0.04 0.00 2.00 0.00 0.00 34.13 33.77 3hq0 s GLU 210 CO 0.70 -0.61 0.30 0.15 -0.56 0.00 0.00 175.26 175.24 3hq0 s LYS 211 N -2.63 3.48 -1.89 4.30 1.02 -1.26 -3.93 119.74 118.83 3hq0 s LYS 211 Ca 0.63 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.20 3hq0 s LYS 211 Cb -0.31 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3hq0 s LYS 211 CO 0.38 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 3hq0 n GLY 212 N -0.25 0.90 3.82 -3.33 0.00 0.52 -4.95 105.19 101.91 3hq0 n GLY 212 Ca -0.05 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.20 4.17 -0.21 1.61 -0.14 -0.77 -4.76 119.74 115.44 3hq0 s LYS 213 Ca 0.00 0.79 -0.05 0.00 -1.36 0.00 0.00 55.97 55.35 3hq0 s LYS 213 Cb 0.00 -2.79 -0.02 0.00 -1.68 0.00 0.00 37.83 33.34 3hq0 s LYS 213 CO 0.00 0.35 0.00 -1.17 -0.76 0.00 0.00 175.35 173.77 3hq0 s LEU 214 N -2.19 3.22 -0.16 3.17 1.98 -1.26 -0.70 118.68 122.75 3hq0 s LEU 214 Ca 0.45 -0.24 -0.19 0.00 -2.89 0.00 0.00 54.13 51.26 3hq0 s LEU 214 Cb -0.15 -1.82 -0.23 0.00 0.66 0.00 0.00 46.19 44.64 3hq0 s LEU 214 CO 0.20 0.04 0.41 -0.74 -1.89 0.00 0.00 176.35 174.37 3hq0 h HIS 215 N 7.70 0.19 -1.28 5.38 -0.00 -1.39 -3.46 115.15 122.30 3hq0 h HIS 215 Ca -0.37 -0.14 0.25 0.00 -0.00 0.00 0.00 60.37 60.11 3hq0 h HIS 215 Cb 1.17 -0.01 -0.22 0.00 -0.00 0.00 0.00 27.41 28.36 3hq0 h HIS 215 CO 0.60 1.48 0.86 -3.38 -0.00 0.00 0.00 177.93 177.49 3hq0 s HIS 216 N -2.40 -0.10 -0.08 5.26 -3.43 -1.08 -4.21 115.29 109.25 3hq0 s HIS 216 Ca -0.24 0.10 -0.01 0.00 -0.80 0.00 0.00 55.06 54.11 3hq0 s HIS 216 Cb 0.04 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.66 3hq0 s HIS 216 CO 0.68 -0.13 -0.00 0.00 -2.00 0.00 0.00 174.74 173.29 3hq0 s SER 218 N -0.92 4.22 -0.04 0.00 0.15 0.65 -0.68 113.70 117.08 3hq0 s SER 218 Ca 0.14 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.41 3hq0 s SER 218 Cb -0.11 -0.76 -0.00 0.00 -1.71 0.00 0.00 66.02 63.43 3hq0 s SER 218 CO 0.03 0.20 -0.15 -0.36 1.20 0.00 0.00 173.24 174.15 3hq0 s PHE 219 N -1.14 1.55 0.09 3.44 0.40 0.32 -0.64 117.98 122.01 3hq0 s PHE 219 Ca 0.19 -0.45 -0.23 0.00 -0.60 0.00 0.00 56.93 55.85 3hq0 s PHE 219 Cb -0.11 -1.06 -0.07 0.00 0.51 0.00 0.00 43.02 42.29 3hq0 s PHE 219 CO 0.11 -0.16 0.68 -1.17 0.70 0.00 0.00 175.22 175.38 3hq0 s LEU 220 N 0.12 4.52 0.42 -0.37 2.96 -0.88 -1.41 118.68 124.05 3hq0 s LEU 220 Ca -0.05 1.42 0.07 0.00 -0.22 0.00 0.00 54.13 55.35 3hq0 s LEU 220 Cb -0.11 -3.10 -0.05 0.00 0.50 0.00 0.00 46.19 43.43 3hq0 s LEU 220 CO 0.02 0.19 0.17 -0.76 -1.32 0.00 0.00 176.35 174.64 3hq0 s LEU 221 N -0.82 3.08 0.10 -0.68 1.02 0.78 -0.03 118.68 122.14 3hq0 s LEU 221 Ca 0.33 -1.11 0.14 0.00 0.02 0.00 0.00 54.13 53.51 3hq0 s LEU 221 Cb -0.21 -1.38 -0.12 0.00 0.02 0.00 0.00 46.19 44.50 3hq0 s LEU 221 CO 0.22 -0.55 1.00 -0.33 0.02 0.00 0.00 176.35 176.71 3hq0 h GLU 222 N 1.44 0.00 -3.30 1.70 5.08 -1.94 -3.41 114.58 114.15 3hq0 h GLU 222 Ca -0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3hq0 h GLU 222 Cb 1.25 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.42 3hq0 h GLU 222 CO 0.71 0.47 0.05 -1.54 -1.00 0.00 0.00 179.01 177.71 3hq0 s SER 223 N -6.12 -0.23 0.43 1.42 1.04 -1.26 -4.95 113.70 104.02 3hq0 s SER 223 Ca -0.01 -0.62 0.10 0.00 0.48 0.00 0.00 55.95 55.90 3hq0 s SER 223 Cb 0.08 0.62 0.95 0.00 0.10 0.00 0.00 66.02 67.78 3hq0 s SER 223 CO 0.80 -1.16 2.03 -0.25 0.98 0.00 0.00 173.24 175.64 3hq0 h TRP 224 N 2.15 0.45 -0.01 5.02 -0.00 -1.94 -0.61 115.95 121.01 3hq0 h TRP 224 Ca -0.25 0.01 -0.13 0.00 -0.00 0.00 0.00 58.89 58.52 3hq0 h TRP 224 Cb 1.26 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 30.25 3hq0 h TRP 224 CO 0.38 0.26 -0.61 0.93 -0.00 0.00 0.00 178.44 179.40 3hq0 h GLU 225 N 0.46 0.02 0.00 2.65 5.08 -2.00 -2.17 114.58 118.63 3hq0 h GLU 225 Ca 0.19 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3hq0 h GLU 225 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hq0 h GLU 225 CO -0.05 0.62 -0.33 1.96 -1.00 0.00 0.00 179.01 180.22 3hq0 h GLN 226 N 0.02 0.00 -0.24 2.33 1.08 -1.52 -1.10 115.11 115.68 3hq0 h GLN 226 Ca -0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3hq0 h GLN 226 Cb 1.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3hq0 h GLN 226 CO 0.08 0.33 -0.22 0.28 -0.95 0.00 0.00 178.83 178.35 3hq0 h VAL 227 N 0.00 1.32 -0.44 -0.54 2.07 -0.81 -0.55 116.25 117.30 3hq0 h VAL 227 Ca -0.00 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.15 3hq0 h VAL 227 Cb 0.73 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3hq0 h VAL 227 CO 0.04 0.43 0.27 0.25 0.02 0.00 0.00 177.57 178.58 3hq0 h LEU 228 N 0.27 0.44 -0.93 2.57 5.85 -1.02 -1.85 115.31 120.63 3hq0 h LEU 228 Ca 0.04 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3hq0 h LEU 228 Cb 0.77 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3hq0 h LEU 228 CO 0.06 0.31 0.60 -0.09 -0.34 0.00 0.00 178.44 178.98 3hq0 h ARG 229 N 0.54 1.12 -0.82 1.25 2.43 -1.06 -1.36 114.38 116.47 3hq0 h ARG 229 Ca 0.17 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3hq0 h ARG 229 Cb -0.00 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.26 3hq0 h ARG 229 CO -0.07 0.74 0.37 0.00 -1.51 0.00 0.00 179.97 179.50 3hq0 h ALA 230 N 1.39 1.06 -0.54 2.80 0.00 -0.44 -0.72 119.26 122.81 3hq0 h ALA 230 Ca 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hq0 h ALA 230 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hq0 h ALA 230 CO -0.13 0.64 0.18 0.78 0.00 0.00 0.00 179.25 180.71 3hq0 h GLY 231 N 1.17 0.89 0.83 0.00 0.00 -0.56 -0.94 103.07 104.45 3hq0 h GLY 231 Ca 0.28 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.11 3hq0 h GLY 231 CO -0.03 0.48 0.04 -0.55 0.00 0.00 0.00 176.54 176.48 3hq0 h ASP 232 N 0.74 0.03 -0.82 0.19 3.32 -0.76 -1.21 116.42 117.91 3hq0 h ASP 232 Ca 0.17 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hq0 h ASP 232 Cb 0.26 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 3hq0 h ASP 232 CO -0.01 0.04 0.54 0.40 -1.72 0.00 0.00 179.24 178.49 3hq0 h ILE 233 N 0.11 1.20 -0.33 0.35 2.04 -0.95 -0.65 117.51 119.28 3hq0 h ILE 233 Ca 0.08 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3hq0 h ILE 233 Cb 0.06 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3hq0 h ILE 233 CO -0.09 0.20 0.13 0.24 0.00 0.00 0.00 178.15 178.62 3hq0 h MET 234 N 1.09 0.49 -0.41 2.37 2.86 -0.62 -2.01 114.93 118.71 3hq0 h MET 234 Ca 0.30 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3hq0 h MET 234 Cb -0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3hq0 h MET 234 CO -0.07 0.50 0.20 1.03 1.06 0.00 0.00 176.91 179.63 3hq0 h SER 235 N 0.38 0.52 -0.76 1.22 0.87 -0.71 0.24 113.55 115.31 3hq0 h SER 235 Ca 0.11 -0.12 0.09 0.00 -1.23 0.00 0.00 61.79 60.64 3hq0 h SER 235 Cb 0.19 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 3hq0 h SER 235 CO -0.01 0.49 0.50 0.24 -0.53 0.00 0.00 176.83 177.52 3hq0 h MET 236 N 0.52 0.68 -0.65 2.24 2.07 -0.95 -0.42 114.93 118.42 3hq0 h MET 236 Ca 0.14 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.67 3hq0 h MET 236 Cb 0.10 -0.15 -0.04 0.00 -1.87 0.00 0.00 31.60 29.64 3hq0 h MET 236 CO -0.02 0.45 0.08 0.09 1.07 0.00 0.00 176.91 178.58 3hq0 n ASN 237 N -4.50 5.35 -3.13 1.22 4.13 -0.77 -4.92 115.26 112.65 3hq0 n ASN 237 Ca 0.13 -2.98 -0.20 0.00 1.68 0.00 0.00 54.58 53.21 3hq0 n ASN 237 Cb 0.32 -0.70 -0.00 0.00 -1.54 0.00 0.00 39.78 37.85 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 0.40 -3.20 -2.37 3.52 1.02 -0.17 -4.92 120.64 114.93 3hq0 n GLU 238 Ca 0.30 0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 57.56 3hq0 n GLU 238 Cb 1.22 -5.19 -0.03 0.00 -0.02 0.00 0.00 31.44 27.42 3hq0 n GLU 238 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hq0 s VAL 239 N -2.85 3.29 -0.33 2.62 1.01 0.79 -4.97 120.40 119.96 3hq0 s VAL 239 Ca 0.30 1.16 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3hq0 s VAL 239 Cb -0.16 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3hq0 s VAL 239 CO 0.37 0.17 1.09 0.20 0.00 0.00 0.00 175.10 176.93 3hq0 s ASN 240 N -1.04 6.90 -0.11 3.32 0.02 -1.26 -4.67 114.94 118.10 3hq0 s ASN 240 Ca 0.52 1.01 -0.10 0.00 -1.02 0.00 0.00 52.86 53.27 3hq0 s ASN 240 Cb -0.31 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.37 3hq0 s ASN 240 CO 0.39 -0.91 0.23 -0.69 0.02 0.00 0.00 177.10 176.14 3hq0 s VAL 241 N 3.73 5.35 0.00 1.60 1.01 -1.26 -1.43 120.40 129.40 3hq0 s VAL 241 Ca 0.46 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3hq0 s VAL 241 Cb -0.12 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3hq0 s VAL 241 CO 0.17 0.54 0.00 -0.67 0.00 0.00 0.00 175.10 175.14 3hq0 n ASP 242 N 2.45 0.00 -4.20 3.32 2.03 0.70 -4.91 116.55 115.94 3hq0 n ASP 242 Ca -0.17 0.25 -0.34 0.00 0.52 0.00 0.00 54.79 55.06 3hq0 n ASP 242 Cb 0.53 -0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 40.39 3hq0 n ASP 242 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3hq0 s ILE 243 N -0.79 2.54 1.09 5.18 1.10 -1.12 -4.98 121.20 124.23 3hq0 s ILE 243 Ca 0.00 -0.78 -0.16 0.00 -0.51 0.00 0.00 60.65 59.20 3hq0 s ILE 243 Cb 0.00 -2.10 0.13 0.00 0.15 0.00 0.00 42.46 40.64 3hq0 s ILE 243 CO 0.00 0.50 0.33 0.61 -2.11 0.00 0.00 174.94 174.27 3hq0 n GLY 244 N 4.57 -2.23 3.68 1.50 0.00 -1.26 -2.63 105.19 108.82 3hq0 n GLY 244 Ca -0.20 -0.86 -0.50 0.00 0.00 0.00 0.00 46.02 44.46 3hq0 n GLY 244 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hq0 n PRO 245 N -2.68 1.88 -2.73 1.61 -0.04 -1.26 -4.66 135.00 127.12 3hq0 n PRO 245 Ca 0.03 0.69 -0.06 0.00 -0.04 0.00 0.00 63.50 64.12 3hq0 n PRO 245 Cb 0.59 -2.47 0.01 0.00 -0.04 0.00 0.00 33.50 31.59 3hq0 n PRO 245 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hq0 n THR 246 N 4.59 0.00 -4.73 0.52 5.66 -0.35 -4.98 114.28 114.99 3hq0 n THR 246 Ca 0.22 -0.65 -0.33 0.00 -3.05 0.00 0.00 64.05 60.24 3hq0 n THR 246 Cb 0.25 0.61 -0.13 0.00 -1.55 0.00 0.00 70.33 69.51 3hq0 n THR 246 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3hq0 s ARG 247 N -2.10 3.01 0.07 1.09 6.06 -1.26 0.37 118.95 126.19 3hq0 s ARG 247 Ca 0.10 -0.64 -0.25 0.00 -2.50 0.00 0.00 55.73 52.45 3hq0 s ARG 247 Cb -0.03 -2.58 -0.06 0.00 0.06 0.00 0.00 34.95 32.34 3hq0 s ARG 247 CO 0.08 0.45 0.77 -1.01 -2.50 0.00 0.00 175.30 173.09 3hq0 s HIS 248 N -0.24 3.78 0.05 5.12 3.76 0.30 -4.97 115.29 123.08 3hq0 s HIS 248 Ca 0.02 1.52 -0.27 0.00 -0.15 0.00 0.00 55.06 56.18 3hq0 s HIS 248 Cb -0.13 -2.82 -0.17 0.00 1.11 0.00 0.00 32.58 30.57 3hq0 s HIS 248 CO 0.03 0.32 1.49 0.78 -0.85 0.00 0.00 174.74 176.51 3hq0 h GLY 249 N 5.38 -0.41 -4.00 -2.22 0.00 -1.94 -2.80 103.07 97.08 3hq0 h GLY 249 Ca -0.45 0.15 -0.52 0.00 0.00 0.00 0.00 47.33 46.52 3hq0 h GLY 249 CO 0.70 -0.15 0.56 0.14 0.00 0.00 0.00 176.54 177.79 3hq0 s VAL 250 N -5.44 3.30 0.00 4.60 1.01 -1.26 -3.04 120.40 119.58 3hq0 s VAL 250 Ca -0.15 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.03 3hq0 s VAL 250 Cb 0.04 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3hq0 s VAL 250 CO 0.61 0.24 0.00 0.41 0.00 0.00 0.00 175.10 176.36 3hq0 n THR 251 N 1.75 0.00 -0.94 3.92 -1.04 -1.26 -3.96 114.28 112.75 3hq0 n THR 251 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3hq0 n THR 251 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3hq0 n THR 251 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hq0 n ARG 252 N -0.28 -0.22 -2.10 -2.82 1.74 -1.06 -3.91 116.66 108.01 3hq0 n ARG 252 Ca 0.00 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.73 3hq0 n ARG 252 Cb 0.00 -3.21 -0.02 0.00 -1.02 0.00 0.00 32.46 28.21 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 -2.00 2.72 -0.25 -0.13 0.00 -1.24 -4.31 107.32 102.10 3hq0 s GLY 253 Ca 0.00 1.26 -0.14 0.00 0.00 0.00 0.00 44.72 45.84 3hq0 s GLY 253 CO 0.00 2.05 0.34 0.00 0.00 0.00 0.00 173.10 175.48 3hq0 s THR 255 N 1.78 0.00 -0.12 0.00 -1.32 0.16 -1.71 115.64 114.43 3hq0 s THR 255 Ca 0.14 -1.91 -0.07 0.00 -1.21 0.00 0.00 61.69 58.64 3hq0 s THR 255 Cb -0.15 -2.52 0.05 0.00 -1.51 0.00 0.00 72.50 68.36 3hq0 s THR 255 CO 0.09 0.00 0.29 -0.63 -2.21 0.00 0.00 174.62 172.16 3hq0 s ILE 256 N -3.47 -0.03 -0.14 5.08 1.01 -1.05 -1.22 121.20 121.38 3hq0 s ILE 256 Ca 0.38 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.12 3hq0 s ILE 256 Cb 0.02 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 3hq0 s ILE 256 CO 0.24 0.05 -0.02 -0.31 0.00 0.00 0.00 174.94 174.90 3hq0 s TYR 257 N 1.24 3.06 0.14 3.97 2.02 -1.08 -2.36 117.35 124.34 3hq0 s TYR 257 Ca -0.09 -0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.40 3hq0 s TYR 257 Cb -0.09 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 3hq0 s TYR 257 CO -0.09 0.11 0.20 0.00 -1.57 0.00 0.00 175.55 174.19 3hq0 s ALA 258 N 0.04 0.19 0.03 3.71 0.00 -0.87 -0.22 121.76 124.63 3hq0 s ALA 258 Ca 0.01 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.01 3hq0 s ALA 258 Cb -0.13 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 3hq0 s ALA 258 CO 0.02 -0.57 -0.05 -1.58 0.00 0.00 0.00 175.76 173.58 3hq0 s TRP 259 N -3.97 2.92 0.83 0.00 0.51 -0.52 -0.62 118.94 118.10 3hq0 s TRP 259 Ca 0.16 -0.03 -0.09 0.00 -2.12 0.00 0.00 56.10 54.02 3hq0 s TRP 259 Cb 0.05 -1.58 0.15 0.00 -0.81 0.00 0.00 33.47 31.27 3hq0 s TRP 259 CO -0.02 0.41 1.16 0.16 -0.51 0.00 0.00 176.95 178.15 3hq0 s ASP 260 N -1.70 3.85 0.47 2.95 1.47 -0.16 -4.32 116.67 119.23 3hq0 s ASP 260 Ca 0.20 0.09 0.25 0.00 1.18 0.00 0.00 52.55 54.27 3hq0 s ASP 260 Cb -0.11 -0.36 1.29 0.00 -0.34 0.00 0.00 42.92 43.40 3hq0 s ASP 260 CO 0.11 -2.23 1.83 -0.65 0.68 0.00 0.00 175.17 174.91 3hq0 h PRO 261 N -1.07 0.21 -0.00 2.11 0.11 -1.90 -1.63 132.00 129.82 3hq0 h PRO 261 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hq0 h PRO 261 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hq0 h PRO 261 CO 0.43 0.14 -0.18 0.43 -0.21 0.00 0.00 178.00 178.61 3hq0 n SER 262 N -4.42 0.61 0.00 -2.05 7.64 -1.26 -4.92 113.62 109.22 3hq0 n SER 262 Ca 0.22 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.53 3hq0 n SER 262 Cb 0.93 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 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 1.33 0.73 3.70 0.23 0.00 -0.61 -4.71 105.19 105.86 3hq0 n GLY 263 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.53 7.29 0.06 1.61 0.02 -1.26 -4.80 114.94 115.34 3hq0 s ASN 264 Ca 0.00 1.67 -0.24 0.00 -1.02 0.00 0.00 52.86 53.27 3hq0 s ASN 264 Cb 0.00 -2.57 -0.06 0.00 0.02 0.00 0.00 41.25 38.64 3hq0 s ASN 264 CO 0.00 -0.35 0.73 -0.60 0.02 0.00 0.00 177.10 176.90 3hq0 s ARG 265 N 1.33 4.46 0.22 -0.60 3.52 -1.26 -0.99 118.95 125.63 3hq0 s ARG 265 Ca 0.52 1.01 0.06 0.00 -0.13 0.00 0.00 55.73 57.19 3hq0 s ARG 265 Cb -0.21 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 3hq0 s ARG 265 CO 0.25 0.38 -0.07 -0.59 -0.81 0.00 0.00 175.30 174.46 3hq0 s PHE 266 N -0.38 1.62 0.02 5.12 -0.12 0.21 -2.63 117.98 121.82 3hq0 s PHE 266 Ca 0.36 -0.74 0.04 0.00 -0.05 0.00 0.00 56.93 56.54 3hq0 s PHE 266 Cb -0.21 -0.87 -0.02 0.00 -0.63 0.00 0.00 43.02 41.30 3hq0 s PHE 266 CO 0.22 0.16 -0.12 -2.00 -0.05 0.00 0.00 175.22 173.43 3hq0 s GLU 267 N -3.75 0.89 -0.24 1.99 2.12 0.14 -2.06 118.70 117.79 3hq0 s GLU 267 Ca 0.24 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.99 3hq0 s GLU 267 Cb 0.03 -0.87 0.06 0.00 0.26 0.00 0.00 34.13 33.61 3hq0 s GLU 267 CO 0.07 0.22 -0.05 0.95 -0.54 0.00 0.00 175.26 175.91 3hq0 s THR 268 N -0.63 1.60 0.31 -1.70 -4.23 -0.99 0.12 115.64 110.12 3hq0 s THR 268 Ca 0.02 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3hq0 s THR 268 Cb -0.06 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.89 3hq0 s THR 268 CO 0.00 -0.11 0.33 0.72 -0.54 0.00 0.00 174.62 175.02 3hq0 s PHE 269 N 1.36 1.33 0.26 3.99 -0.71 -0.50 -2.52 117.98 121.18 3hq0 s PHE 269 Ca -0.06 -1.43 -0.19 0.00 -1.04 0.00 0.00 56.93 54.21 3hq0 s PHE 269 Cb -0.19 -0.41 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 3hq0 s PHE 269 CO -0.06 -0.93 0.65 0.00 -1.34 0.00 0.00 175.22 173.53 3hq0 s MET 270 N -3.47 1.66 0.00 1.99 0.23 -0.69 -0.15 119.30 118.87 3hq0 s MET 270 Ca 0.36 -0.99 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 3hq0 s MET 270 Cb 0.02 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.89 3hq0 s MET 270 CO 0.21 -0.74 0.00 0.41 -2.03 0.00 0.00 175.02 172.87 3hq0 n GLY 271 N -0.43 0.11 0.00 3.16 0.00 -1.26 -1.28 105.19 105.50 3hq0 n GLY 271 Ca -0.05 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.25 3.60 0.00 -0.02 0.00 -1.26 -4.54 105.19 103.22 3hq0 n GLY 272 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.21 -3.23 -3.78 1.61 0.18 -1.25 -5.00 117.16 104.48 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 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 3hq0 n TYR 273 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3hq0 s HIS 274 N -0.72 2.93 0.67 -3.48 3.76 -1.26 -4.32 115.29 112.88 3hq0 s HIS 274 Ca 0.00 -3.07 -0.12 0.00 -0.15 0.00 0.00 55.06 51.72 3hq0 s HIS 274 Cb 0.00 -2.27 0.00 0.00 1.11 0.00 0.00 32.58 31.42 3hq0 s HIS 274 CO 0.00 -0.63 1.06 -1.25 -0.85 0.00 0.00 174.74 173.08 3hq0 s PRO 275 N -1.00 2.96 0.08 8.40 0.04 -1.24 -5.02 135.00 139.22 3hq0 s PRO 275 Ca 0.26 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.38 3hq0 s PRO 275 Cb -0.04 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3hq0 s PRO 275 CO -0.16 -1.09 -0.06 0.71 0.04 0.00 0.00 177.00 176.44 3hq0 s TYR 276 N -2.83 0.78 0.60 0.56 2.02 -1.26 -4.24 117.35 112.97 3hq0 s TYR 276 Ca 0.60 -0.83 0.29 0.00 -0.37 0.00 0.00 57.07 56.76 3hq0 s TYR 276 Cb -0.15 -0.46 1.34 0.00 -0.40 0.00 0.00 41.96 42.28 3hq0 s TYR 276 CO 0.49 -0.16 1.73 -1.35 -1.57 0.00 0.00 175.55 174.69 3hq0 h PRO 277 N 3.38 0.00 -0.00 -1.71 0.11 -1.98 -0.02 132.00 131.77 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 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hq0 h PRO 277 CO 0.59 0.00 -0.11 -0.40 -0.21 0.00 0.00 178.00 177.87 3hq0 n ASP 278 N -3.57 0.57 -4.84 -2.05 5.75 -1.26 -4.90 116.55 106.25 3hq0 n ASP 278 Ca 0.13 -0.70 -0.33 0.00 -0.01 0.00 0.00 54.79 53.87 3hq0 n ASP 278 Cb 0.92 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.90 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 -2.41 3.37 0.26 2.11 4.12 -0.02 -5.07 117.35 119.71 3hq0 s TYR 279 Ca 0.30 1.38 -0.16 0.00 0.02 0.00 0.00 57.07 58.61 3hq0 s TYR 279 Cb 0.20 -2.66 -0.08 0.00 -1.52 0.00 0.00 41.96 37.90 3hq0 s TYR 279 CO 0.46 0.03 0.69 -1.21 0.02 0.00 0.00 175.55 175.54 3hq0 s GLU 280 N -3.00 4.05 0.56 -0.62 0.41 -1.26 -4.96 118.70 113.88 3hq0 s GLU 280 Ca 0.57 0.66 -0.18 0.00 -0.41 0.00 0.00 54.97 55.60 3hq0 s GLU 280 Cb -0.10 -2.65 -0.05 0.00 -1.78 0.00 0.00 34.13 29.55 3hq0 s GLU 280 CO 0.16 0.29 1.10 -1.25 -0.49 0.00 0.00 175.26 175.07 3hq0 s PRO 281 N -2.54 3.33 0.28 0.39 0.04 -1.26 -4.99 135.00 130.25 3hq0 s PRO 281 Ca 0.48 1.48 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 3hq0 s PRO 281 Cb -0.13 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3hq0 s PRO 281 CO 0.19 -0.84 0.57 -0.51 0.04 0.00 0.00 177.00 176.44 3hq0 s LEU 282 N -4.01 4.07 0.04 -3.56 1.43 -0.42 -4.96 118.68 111.26 3hq0 s LEU 282 Ca 0.70 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 3hq0 s LEU 282 Cb -0.21 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 3hq0 s LEU 282 CO 0.29 -0.18 -0.12 -0.44 0.23 0.00 0.00 176.35 176.13 3hq0 s SER 283 N -2.98 1.45 -0.12 2.29 0.01 -1.26 -1.20 113.70 111.89 3hq0 s SER 283 Ca 0.45 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.28 3hq0 s SER 283 Cb -0.11 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3hq0 s SER 283 CO 0.28 -0.01 -0.17 0.26 0.41 0.00 0.00 173.24 174.01 3hq0 s TRP 284 N -0.89 2.18 0.52 2.43 0.52 0.28 -4.96 118.94 119.03 3hq0 s TRP 284 Ca -0.00 -1.05 -0.22 0.00 0.02 0.00 0.00 56.10 54.84 3hq0 s TRP 284 Cb -0.08 -1.54 -0.06 0.00 -1.15 0.00 0.00 33.47 30.65 3hq0 s TRP 284 CO 0.01 -0.52 1.35 0.95 0.02 0.00 0.00 176.95 178.77 3hq0 s THR 285 N 0.94 2.15 0.24 2.01 -4.23 -1.26 -1.33 115.64 114.15 3hq0 s THR 285 Ca -0.07 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.49 3hq0 s THR 285 Cb -0.15 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.84 3hq0 s THR 285 CO -0.02 0.00 1.88 0.22 -0.54 0.00 0.00 174.62 176.16 3hq0 h TYR 286 N 1.64 1.04 0.00 3.99 3.20 -1.83 -0.64 116.97 124.38 3hq0 h TYR 286 Ca -0.51 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.39 3hq0 h TYR 286 Cb 1.29 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3hq0 h TYR 286 CO 0.47 0.59 0.00 -0.40 -1.64 0.00 0.00 178.16 177.18 3hq0 n ASP 287 N -4.55 0.00 -0.64 -2.11 5.68 -1.26 -1.33 116.55 112.34 3hq0 n ASP 287 Ca 0.11 -0.03 0.06 0.00 -0.50 0.00 0.00 54.79 54.43 3hq0 n ASP 287 Cb 0.11 -0.18 0.16 0.00 -1.14 0.00 0.00 41.12 40.06 3hq0 n ASP 287 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3hq0 n ASN 288 N -1.18 1.64 0.00 -1.12 5.15 -0.26 -5.27 115.26 114.23 3hq0 n ASN 288 Ca 0.06 -3.40 0.00 0.00 -0.60 0.00 0.00 54.58 50.64 3hq0 n ASN 288 Cb 0.07 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 3hq0 n ASN 288 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99