#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqm s ILE 3 N 0.00 1.98 -0.14 0.58 -1.09 -1.26 -3.57 121.20 117.70 1hqm s ILE 3 Ca 0.00 -0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 57.41 1hqm s ILE 3 Cb 0.00 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 1hqm s ILE 3 CO 0.00 0.54 0.11 -0.75 -1.23 0.00 0.00 174.94 173.60 1hqm s LYS 4 N 0.68 3.56 0.19 2.79 2.20 -1.06 -5.01 119.74 123.08 1hqm s LYS 4 Ca -0.11 -0.22 0.11 0.00 -0.36 0.00 0.00 55.97 55.39 1hqm s LYS 4 Cb -0.16 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1hqm s LYS 4 CO 0.02 0.62 -0.23 0.50 -0.36 0.00 0.00 175.35 175.90 1hqm s ARG 5 N -0.60 1.46 0.15 4.03 3.52 -1.26 -0.74 118.95 125.51 1hqm s ARG 5 Ca 0.12 -1.49 0.08 0.00 -0.13 0.00 0.00 55.73 54.30 1hqm s ARG 5 Cb -0.12 -1.72 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1hqm s ARG 5 CO 0.02 0.37 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.65 1hqm s PHE 6 N -1.74 1.71 -5.00 5.12 0.40 0.09 -4.95 117.98 113.60 1hqm s PHE 6 Ca 0.19 -0.49 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1hqm s PHE 6 Cb -0.07 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.59 1hqm s PHE 6 CO 0.09 0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.69 1hqm n GLY 7 N 0.39 -0.35 3.58 4.36 0.00 -1.25 -4.61 105.19 107.32 1hqm n GLY 7 Ca -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.33 1hqm n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqm s ARG 8 N -2.00 0.42 7.48 1.61 0.52 -1.26 -4.97 118.95 120.75 1hqm s ARG 8 Ca 0.00 0.84 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 1hqm s ARG 8 Cb 0.00 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.74 1hqm s ARG 8 CO 0.00 -0.11 0.00 -0.89 0.02 0.00 0.00 175.30 174.32 1hqm n ILE 9 N 4.32 0.00 -0.53 1.52 -0.00 -1.26 -4.93 119.36 118.48 1hqm n ILE 9 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1hqm n ILE 9 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.20 1hqm n ILE 9 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1hqm n ARG 10 N 12.96 0.00 0.29 0.38 0.63 -1.26 -5.02 116.66 124.64 1hqm n ARG 10 Ca 0.00 0.18 0.17 0.00 -0.92 0.00 0.00 57.85 57.28 1hqm n ARG 10 Cb 0.00 -0.53 0.82 0.00 0.45 0.00 0.00 32.46 33.20 1hqm n ARG 10 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1hqm h GLU 11 N 0.00 0.00 0.00 -0.14 4.81 -1.94 -3.45 114.58 113.86 1hqm h GLU 11 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hqm h GLU 11 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1hqm h GLU 11 CO 0.00 0.05 0.00 0.28 -0.73 0.00 0.00 179.01 178.61 1hqm n VAL 12 N -3.24 0.00 -3.83 0.32 0.31 -1.26 -5.06 118.33 105.56 1hqm n VAL 12 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1hqm n VAL 12 Cb 0.24 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.09 1hqm n VAL 12 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1hqm s ILE 13 N 1.88 0.11 -0.83 2.52 1.09 -1.26 -4.98 121.20 119.74 1hqm s ILE 13 Ca 0.00 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.64 1hqm s ILE 13 Cb 0.00 -0.98 0.00 0.00 -1.06 0.00 0.00 42.46 40.42 1hqm s ILE 13 CO 0.00 -0.50 0.31 -0.81 -0.10 0.00 0.00 174.94 173.84 1hqm n PRO 14 N 0.55 0.00 0.00 2.79 -0.04 -1.26 -4.80 135.00 132.24 1hqm n PRO 14 Ca -0.18 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1hqm n PRO 14 Cb 0.60 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1hqm n PRO 14 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1hqm n LEU 15 N -0.81 -0.31 -4.74 1.53 7.94 -1.26 -3.68 117.00 115.67 1hqm n LEU 15 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1hqm n LEU 15 Cb 0.05 0.98 -0.05 0.00 0.53 0.00 0.00 43.42 44.93 1hqm n LEU 15 CO 0.00 0.00 0.45 -2.16 -1.11 0.00 0.00 177.39 174.57 1hqm s PRO 16 N -4.63 4.48 -0.16 1.96 0.04 -1.26 -3.94 135.00 131.49 1hqm s PRO 16 Ca 0.00 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.12 1hqm s PRO 16 Cb 0.00 -3.38 -0.13 0.00 0.04 0.00 0.00 34.50 31.03 1hqm s PRO 16 CO 0.00 0.24 -0.09 -0.35 0.04 0.00 0.00 177.00 176.84 1hqm n PRO 17 N 3.00 0.88 0.00 0.56 -0.04 -1.26 -4.74 135.00 133.39 1hqm n PRO 17 Ca -0.02 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1hqm n PRO 17 Cb 0.50 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1hqm n PRO 17 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hqm n LEU 18 N -2.85 0.00 -1.22 1.53 4.77 -1.25 -4.87 117.00 113.11 1hqm n LEU 18 Ca -0.28 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.72 1hqm n LEU 18 Cb 0.87 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 42.07 1hqm n LEU 18 CO 0.21 0.00 0.21 0.35 -1.33 0.00 0.00 177.39 176.83 1hqm n THR 19 N 0.00 1.35 0.14 -5.08 -2.24 -1.26 -4.71 114.28 102.48 1hqm n THR 19 Ca 0.00 -2.48 0.08 0.00 -2.27 0.00 0.00 64.05 59.38 1hqm n THR 19 Cb 0.00 0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1hqm n THR 19 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1hqm h GLU 20 N 1.22 0.00 -1.00 -0.78 4.81 -1.91 -3.25 114.58 113.67 1hqm h GLU 20 Ca -0.06 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.43 1hqm h GLU 20 Cb 1.40 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.65 1hqm h GLU 20 CO 0.12 0.16 0.58 0.82 -0.73 0.00 0.00 179.01 179.95 1hqm h ILE 21 N 0.00 0.48 -0.72 2.32 1.08 -1.92 -3.34 117.51 115.41 1hqm h ILE 21 Ca -0.02 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1hqm h ILE 21 Cb 1.17 -0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1hqm h ILE 21 CO 0.02 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 1hqm n GLN 22 N -4.93 3.72 0.00 2.37 6.02 -1.23 -4.43 117.38 118.90 1hqm n GLN 22 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1hqm n GLN 22 Cb 0.79 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.05 1hqm n GLN 22 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1hqm n VAL 23 N 0.00 0.00 0.53 5.09 0.31 -1.25 -1.20 118.33 121.82 1hqm n VAL 23 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1hqm n VAL 23 Cb 0.00 0.00 0.32 0.00 -0.91 0.00 0.00 33.84 33.25 1hqm n VAL 23 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hqm n GLU 24 N 0.00 0.04 0.00 5.55 1.02 -1.26 -2.80 120.64 123.19 1hqm n GLU 24 Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1hqm n GLU 24 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1hqm n GLU 24 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1hqm n SER 25 N -1.46 0.00 -0.03 1.62 2.88 -0.34 -3.86 113.62 112.42 1hqm n SER 25 Ca 0.04 0.24 -0.01 0.00 -1.33 0.00 0.00 58.87 57.81 1hqm n SER 25 Cb 0.16 -0.26 -0.01 0.00 -0.75 0.00 0.00 64.21 63.35 1hqm n SER 25 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1hqm n TYR 26 N -1.36 -0.04 -0.31 0.66 9.36 -1.19 -0.75 117.16 123.52 1hqm n TYR 26 Ca 0.00 0.10 0.01 0.00 3.32 0.00 0.00 57.90 61.33 1hqm n TYR 26 Cb 0.00 -0.37 0.06 0.00 -0.63 0.00 0.00 39.34 38.39 1hqm n TYR 26 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1hqm n LYS 27 N -2.95 -0.16 0.00 2.98 4.81 -1.12 0.23 118.16 121.95 1hqm n LYS 27 Ca 0.00 1.28 0.07 0.00 -0.87 0.00 0.00 58.31 58.80 1hqm n LYS 27 Cb 0.02 -1.91 0.42 0.00 0.02 0.00 0.00 35.03 33.58 1hqm n LYS 27 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1hqm n LYS 28 N -5.26 0.40 -0.02 1.64 2.85 0.07 0.58 118.16 118.42 1hqm n LYS 28 Ca 0.10 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1hqm n LYS 28 Cb 0.35 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.17 1hqm n LYS 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1hqm n ALA 29 N -1.07 2.07 -0.91 0.58 0.00 0.64 -4.30 120.51 117.52 1hqm n ALA 29 Ca 0.10 -0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.23 1hqm n ALA 29 Cb 0.07 -0.13 0.40 0.00 0.00 0.00 0.00 19.45 19.79 1hqm n ALA 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hqm n LEU 30 N -2.06 5.61 0.00 0.00 7.94 0.20 -1.46 117.00 127.23 1hqm n LEU 30 Ca -0.08 -2.93 0.00 0.00 -1.11 0.00 0.00 56.01 51.89 1hqm n LEU 30 Cb 0.50 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.77 1hqm n LEU 30 CO 0.19 0.64 0.00 0.00 -1.11 0.00 0.00 177.39 177.10 1hqm n GLN 31 N 0.55 0.00 0.00 1.96 6.02 0.20 -4.10 117.38 122.01 1hqm n GLN 31 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1hqm n GLN 31 Cb 1.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.44 1hqm n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hqm n ALA 32 N 0.00 0.00 -0.05 -1.58 0.00 -1.26 -3.04 120.51 114.58 1hqm n ALA 32 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1hqm n ALA 32 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1hqm n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hqm n ASP 33 N 0.00 0.00 -4.81 0.00 4.64 -1.26 -4.45 116.55 110.68 1hqm n ASP 33 Ca 0.00 0.60 -0.35 0.00 -1.38 0.00 0.00 54.79 53.67 1hqm n ASP 33 Cb 0.00 -0.16 -0.07 0.00 -1.04 0.00 0.00 41.12 39.85 1hqm n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1hqm s VAL 34 N -4.01 4.34 -0.03 5.18 1.01 -1.17 -4.97 120.40 120.75 1hqm s VAL 34 Ca -0.02 1.59 -0.33 0.00 0.00 0.00 0.00 61.98 63.22 1hqm s VAL 34 Cb 0.09 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 1hqm s VAL 34 CO 0.29 -0.13 1.87 -2.65 0.00 0.00 0.00 175.10 174.48 1hqm n PRO 35 N -0.14 2.35 0.00 2.72 -0.02 -1.26 -4.68 135.00 133.97 1hqm n PRO 35 Ca 0.05 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1hqm n PRO 35 Cb 0.52 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1hqm n PRO 35 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1hqm n PRO 36 N 6.50 0.00 0.00 0.52 -0.02 -1.26 -2.72 135.00 138.02 1hqm n PRO 36 Ca 0.21 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1hqm n PRO 36 Cb 0.32 -0.72 -0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1hqm n PRO 36 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1hqm n GLU 37 N 0.58 0.02 0.00 -0.52 1.02 -1.26 -4.89 120.64 115.59 1hqm n GLU 37 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1hqm n GLU 37 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 1hqm n GLU 37 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1hqm n LYS 38 N -2.66 1.57 -1.98 3.49 2.85 -1.10 -4.89 118.16 115.44 1hqm n LYS 38 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1hqm n LYS 38 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 1hqm n LYS 38 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1hqm n ARG 39 N 0.00 -4.15 -0.06 -1.58 5.12 -1.26 -4.98 116.66 109.75 1hqm n ARG 39 Ca 0.00 3.10 -0.10 0.00 -1.93 0.00 0.00 57.85 58.92 1hqm n ARG 39 Cb 0.00 -3.70 -0.05 0.00 -1.16 0.00 0.00 32.46 27.54 1hqm n ARG 39 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1hqm n GLU 40 N 1.45 0.30 -2.55 5.56 2.13 -1.26 -5.09 120.64 121.17 1hqm n GLU 40 Ca 0.00 0.08 -0.05 0.00 0.66 0.00 0.00 57.16 57.85 1hqm n GLU 40 Cb 0.00 -1.18 -0.02 0.00 0.27 0.00 0.00 31.44 30.51 1hqm n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1hqm n ASN 41 N -3.00 -0.19 -1.26 4.31 3.02 -1.26 -4.55 115.26 112.32 1hqm n ASN 41 Ca -0.22 -1.56 0.16 0.00 -0.03 0.00 0.00 54.58 52.93 1hqm n ASN 41 Cb 0.72 0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 40.28 1hqm n ASN 41 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1hqm n VAL 42 N -0.16 0.00 -4.51 2.41 0.31 -1.26 -4.65 118.33 110.47 1hqm n VAL 42 Ca 0.02 0.30 0.02 0.00 -0.01 0.00 0.00 64.34 64.67 1hqm n VAL 42 Cb 0.15 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.37 1hqm n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hqm n GLY 43 N -3.82 -1.11 0.28 2.92 0.00 -1.25 -3.11 105.19 99.09 1hqm n GLY 43 Ca -0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 46.02 44.88 1hqm n GLY 43 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hqm h ILE 44 N -0.15 0.00 -0.77 -0.61 5.03 -1.61 -2.60 117.51 116.80 1hqm h ILE 44 Ca 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 64.86 64.84 1hqm h ILE 44 Cb 0.15 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 33.82 1hqm h ILE 44 CO 0.00 0.00 -0.36 1.67 -0.68 0.00 0.00 178.15 178.79 1hqm n GLN 45 N -4.41 -0.24 0.00 2.37 7.27 -1.25 -0.79 117.38 120.33 1hqm n GLN 45 Ca -0.00 1.18 -0.04 0.00 0.07 0.00 0.00 57.00 58.21 1hqm n GLN 45 Cb 0.19 -1.74 -0.02 0.00 2.41 0.00 0.00 30.24 31.07 1hqm n GLN 45 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hqm h ALA 46 N 0.82 -0.56 -0.70 1.69 0.00 -1.40 0.32 119.26 119.43 1hqm h ALA 46 Ca 0.22 -0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.35 1hqm h ALA 46 Cb 0.41 0.65 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1hqm h ALA 46 CO -0.75 -0.60 0.20 0.00 0.00 0.00 0.00 179.25 178.10 1hqm n ALA 47 N -2.65 0.54 -0.74 0.00 0.00 0.03 0.26 120.51 117.96 1hqm n ALA 47 Ca -0.02 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1hqm n ALA 47 Cb 0.09 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1hqm n ALA 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1hqm n PHE 48 N -4.75 0.00 -0.37 0.00 3.01 0.55 -1.13 117.46 114.77 1hqm n PHE 48 Ca 0.22 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.64 1hqm n PHE 48 Cb 0.72 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 40.07 1hqm n PHE 48 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1hqm n LYS 49 N -0.89 -0.27 -0.33 -1.08 5.02 0.82 0.45 118.16 121.89 1hqm n LYS 49 Ca 0.00 1.44 -0.09 0.00 -2.02 0.00 0.00 58.31 57.64 1hqm n LYS 49 Cb 0.00 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 32.82 1hqm n LYS 49 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1hqm h GLU 50 N 0.00 -0.10 -5.72 1.97 5.08 0.36 -3.19 114.58 112.98 1hqm h GLU 50 Ca 0.29 0.01 -0.48 0.00 -1.00 0.00 0.00 59.36 58.17 1hqm h GLU 50 Cb 0.52 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1hqm h GLU 50 CO -0.92 -0.07 1.57 0.99 -1.00 0.00 0.00 179.01 179.58 1hqm s THR 51 N -5.70 3.07 0.33 1.13 2.01 0.17 -4.83 115.64 111.83 1hqm s THR 51 Ca -0.13 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 1hqm s THR 51 Cb 0.13 -3.17 -0.12 0.00 0.01 0.00 0.00 72.50 69.35 1hqm s THR 51 CO 0.65 -0.16 1.37 2.22 -0.69 0.00 0.00 174.62 178.01 1hqm n PHE 52 N 14.95 2.46 -1.69 4.92 1.16 -1.21 -4.77 117.46 133.29 1hqm n PHE 52 Ca 0.33 0.49 -0.66 0.00 -1.87 0.00 0.00 57.45 55.75 1hqm n PHE 52 Cb 0.53 -2.46 -0.10 0.00 -1.61 0.00 0.00 39.48 35.85 1hqm n PHE 52 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1hqm n PRO 53 N 0.83 0.13 -2.11 3.97 -0.02 -1.26 -4.79 135.00 131.74 1hqm n PRO 53 Ca 0.05 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 1hqm n PRO 53 Cb 0.36 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1hqm n PRO 53 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1hqm s ILE 54 N 3.43 3.03 0.00 4.25 -5.25 -1.19 -4.98 121.20 120.49 1hqm s ILE 54 Ca 1.06 0.80 0.00 0.00 -0.99 0.00 0.00 60.65 61.52 1hqm s ILE 54 Cb -1.45 -3.51 0.00 0.00 2.95 0.00 0.00 42.46 40.45 1hqm s ILE 54 CO 0.78 0.09 0.00 -0.62 -1.79 0.00 0.00 174.94 173.41 1hqm n GLU 55 N 3.23 0.00 0.00 0.37 4.71 -1.26 -4.04 120.64 123.65 1hqm n GLU 55 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.24 1hqm n GLU 55 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.84 1hqm n GLU 55 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1hqm n GLU 56 N 0.00 -3.51 -1.29 3.49 0.00 -1.26 -4.63 120.64 113.44 1hqm n GLU 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1hqm n GLU 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1hqm n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1hqm n GLY 57 N -0.96 -2.85 1.91 -1.84 0.00 -1.26 -4.17 105.19 96.01 1hqm n GLY 57 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1hqm n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hqm n ASP 58 N 2.31 -3.84 -4.57 1.61 3.85 -1.26 -4.89 116.55 109.77 1hqm n ASP 58 Ca 0.10 0.21 -0.39 0.00 -0.71 0.00 0.00 54.79 54.00 1hqm n ASP 58 Cb 0.43 -2.35 -0.03 0.00 -1.35 0.00 0.00 41.12 37.82 1hqm n ASP 58 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1hqm s LYS 59 N -1.35 2.64 -1.01 0.11 1.02 -1.26 -3.07 119.74 116.83 1hqm s LYS 59 Ca 0.07 1.28 -0.03 0.00 0.02 0.00 0.00 55.97 57.31 1hqm s LYS 59 Cb -0.02 -4.42 -0.03 0.00 -0.52 0.00 0.00 37.83 32.84 1hqm s LYS 59 CO 0.24 -2.67 0.86 0.41 -0.92 0.00 0.00 175.35 173.26 1hqm n GLY 60 N 5.77 -0.64 0.69 -3.33 0.00 -1.26 -4.95 105.19 101.47 1hqm n GLY 60 Ca 0.28 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1hqm n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hqm n LYS 61 N -3.41 0.00 0.00 1.61 4.76 -1.17 -5.13 118.16 114.82 1hqm n LYS 61 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1hqm n LYS 61 Cb 0.63 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.24 1hqm n LYS 61 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hqm n GLY 62 N 2.68 6.65 3.72 0.72 0.00 -1.26 -4.91 105.19 112.78 1hqm n GLY 62 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1hqm n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqm s GLY 63 N 0.00 1.64 0.02 -0.02 0.00 -1.26 -3.66 107.32 104.04 1hqm s GLY 63 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1hqm s GLY 63 CO 0.00 -0.16 0.00 1.04 0.00 0.00 0.00 173.10 173.98 1hqm n LEU 64 N -4.35 -3.09 0.00 0.66 4.77 0.80 -4.76 117.00 111.02 1hqm n LEU 64 Ca 0.13 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.84 1hqm n LEU 64 Cb 0.59 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1hqm n LEU 64 CO 0.47 -0.62 -0.18 0.52 -1.33 0.00 0.00 177.39 176.24 1hqm n VAL 65 N 0.45 0.00 -2.97 4.08 0.31 -1.25 -4.78 118.33 114.17 1hqm n VAL 65 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1hqm n VAL 65 Cb 0.00 -0.38 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 1hqm n VAL 65 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1hqm n LEU 66 N -2.10 -5.06 -4.81 7.52 7.94 -1.26 -3.59 117.00 115.65 1hqm n LEU 66 Ca 0.00 1.15 -0.32 0.00 -1.11 0.00 0.00 56.01 55.73 1hqm n LEU 66 Cb 0.18 -2.10 -0.06 0.00 0.53 0.00 0.00 43.42 41.97 1hqm n LEU 66 CO 0.00 -2.77 -0.23 1.51 -1.11 0.00 0.00 177.39 174.79 1hqm s ASP 67 N -0.56 5.77 0.50 1.96 -4.77 -0.74 -3.19 116.67 115.65 1hqm s ASP 67 Ca -0.06 0.14 0.01 0.00 -3.30 0.00 0.00 52.55 49.34 1hqm s ASP 67 Cb 0.00 -1.66 0.02 0.00 -1.09 0.00 0.00 42.92 40.19 1hqm s ASP 67 CO 0.25 0.24 0.71 -0.36 0.70 0.00 0.00 175.17 176.71 1hqm s PHE 68 N -1.29 3.02 0.00 2.11 0.40 -1.26 -3.06 117.98 117.90 1hqm s PHE 68 Ca 0.26 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.66 1hqm s PHE 68 Cb -0.12 -2.53 0.00 0.00 0.51 0.00 0.00 43.02 40.87 1hqm s PHE 68 CO 0.18 -0.62 0.00 1.28 0.70 0.00 0.00 175.22 176.76 1hqm n LEU 69 N -2.19 0.00 -4.73 -0.37 4.77 -1.24 -4.98 117.00 108.26 1hqm n LEU 69 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.61 1hqm n LEU 69 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1hqm n LEU 69 CO 0.46 0.00 1.12 -1.83 -1.33 0.00 0.00 177.39 175.81 1hqm s GLU 70 N 1.87 4.28 0.71 3.23 -1.05 -1.26 -4.91 118.70 121.56 1hqm s GLU 70 Ca 0.00 2.24 0.02 0.00 -0.15 0.00 0.00 54.97 57.08 1hqm s GLU 70 Cb 0.00 -3.17 0.13 0.00 -0.44 0.00 0.00 34.13 30.66 1hqm s GLU 70 CO 0.00 -0.47 0.98 1.52 0.95 0.00 0.00 175.26 178.24 1hqm s TYR 71 N 0.69 1.24 -0.35 4.83 -0.85 -1.26 -4.03 117.35 117.62 1hqm s TYR 71 Ca 0.64 -0.48 0.03 0.00 -0.52 0.00 0.00 57.07 56.74 1hqm s TYR 71 Cb -0.41 -2.78 0.16 0.00 0.38 0.00 0.00 41.96 39.31 1hqm s TYR 71 CO 0.35 -1.72 0.40 0.50 -1.52 0.00 0.00 175.55 173.57 1hqm s ARG 72 N -5.07 0.58 0.62 -3.49 3.52 0.11 -4.93 118.95 110.28 1hqm s ARG 72 Ca 0.67 -0.50 -0.19 0.00 -0.13 0.00 0.00 55.73 55.58 1hqm s ARG 72 Cb -0.04 -0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 32.79 1hqm s ARG 72 CO 0.44 -1.14 1.32 0.42 -0.81 0.00 0.00 175.30 175.53 1hqm s ILE 73 N 1.82 2.00 0.00 4.11 1.09 -1.26 -3.04 121.20 125.92 1hqm s ILE 73 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.70 1hqm s ILE 73 Cb -0.13 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.27 1hqm s ILE 73 CO -0.13 -0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.32 1hqm n GLY 74 N 0.86 4.06 2.39 6.18 0.00 0.14 -4.93 105.19 113.90 1hqm n GLY 74 Ca 0.14 -0.99 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1hqm n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hqm n ASP 75 N 0.00 -0.60 -4.59 1.61 8.00 -1.26 -4.37 116.55 115.34 1hqm n ASP 75 Ca 0.00 -0.21 -0.44 0.00 0.71 0.00 0.00 54.79 54.86 1hqm n ASP 75 Cb 0.00 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1hqm n ASP 75 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1hqm n PRO 76 N 4.46 1.93 0.00 -0.24 -0.04 -1.26 -4.29 135.00 135.56 1hqm n PRO 76 Ca 0.46 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1hqm n PRO 76 Cb 0.07 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 1hqm n PRO 76 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1hqm n PRO 77 N 8.63 0.00 -0.70 0.54 -0.02 -1.26 -4.69 135.00 137.50 1hqm n PRO 77 Ca 0.30 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1hqm n PRO 77 Cb 0.42 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 1hqm n PRO 77 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1hqm n PHE 78 N -0.64 -1.29 -4.60 6.00 3.01 -1.26 -5.13 117.46 113.54 1hqm n PHE 78 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1hqm n PHE 78 Cb 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.33 1hqm n PHE 78 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1hqm s SER 79 N -0.79 2.30 0.35 4.37 1.04 -1.26 -4.98 113.70 114.72 1hqm s SER 79 Ca 0.00 -0.50 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 1hqm s SER 79 Cb 0.00 -0.19 -0.13 0.00 0.10 0.00 0.00 66.02 65.80 1hqm s SER 79 CO 0.00 0.14 0.86 0.00 0.98 0.00 0.00 173.24 175.22 1hqm n GLN 80 N 1.91 1.06 0.00 4.02 6.02 -1.26 -1.16 117.38 127.97 1hqm n GLN 80 Ca -0.17 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1hqm n GLN 80 Cb 0.54 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1hqm n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1hqm n ASP 81 N 1.10 0.00 -0.08 1.08 10.43 -1.26 -4.67 116.55 123.15 1hqm n ASP 81 Ca 0.11 0.00 -0.14 0.00 2.57 0.00 0.00 54.79 57.32 1hqm n ASP 81 Cb 0.35 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.27 1hqm n ASP 81 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 1hqm h GLU 82 N 0.00 0.80 -0.10 -1.24 5.08 -1.56 -1.37 114.58 116.19 1hqm h GLU 82 Ca 0.00 -0.49 0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1hqm h GLU 82 Cb 0.00 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1hqm h GLU 82 CO 0.00 1.12 -0.22 0.00 -1.00 0.00 0.00 179.01 178.91 1hqm h ARG 84 N -0.30 0.25 -0.12 0.00 3.08 -1.73 1.42 114.38 116.98 1hqm h ARG 84 Ca 0.09 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.90 1hqm h ARG 84 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1hqm h ARG 84 CO -0.27 0.48 -0.62 1.49 -1.07 0.00 0.00 179.97 179.97 1hqm h GLU 85 N 0.23 0.42 -0.44 0.04 4.81 0.02 -3.10 114.58 116.56 1hqm h GLU 85 Ca 0.04 -0.30 -0.20 0.00 -0.13 0.00 0.00 59.36 58.77 1hqm h GLU 85 Cb 0.55 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.85 1hqm h GLU 85 CO 0.04 0.91 0.04 1.63 -0.73 0.00 0.00 179.01 180.89 1hqm n LYS 86 N -3.90 2.09 -3.64 1.92 5.02 0.25 -4.92 118.16 114.98 1hqm n LYS 86 Ca -0.03 -3.12 -0.24 0.00 -2.02 0.00 0.00 58.31 52.90 1hqm n LYS 86 Cb 0.64 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 1hqm n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hqm n ASP 87 N -1.02 -4.35 -4.01 4.39 8.00 0.10 -4.68 116.55 114.97 1hqm n ASP 87 Ca 0.35 -0.82 -0.20 0.00 0.71 0.00 0.00 54.79 54.83 1hqm n ASP 87 Cb 1.11 -1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.63 1hqm n ASP 87 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hqm s LEU 88 N -4.44 1.82 0.03 0.64 1.43 0.45 -4.18 118.68 114.43 1hqm s LEU 88 Ca 0.03 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 1hqm s LEU 88 Cb -0.00 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.58 1hqm s LEU 88 CO 0.81 0.08 1.52 -0.89 0.23 0.00 0.00 176.35 178.09 1hqm s THR 89 N 0.13 3.40 -0.89 5.49 2.01 -1.26 -3.19 115.64 121.33 1hqm s THR 89 Ca -0.02 0.81 -0.23 0.00 0.31 0.00 0.00 61.69 62.56 1hqm s THR 89 Cb -0.08 -3.52 -0.15 0.00 0.01 0.00 0.00 72.50 68.75 1hqm s THR 89 CO 0.00 -0.00 1.91 0.00 -0.69 0.00 0.00 174.62 175.84 1hqm n TYR 90 N 5.51 2.02 -1.44 4.92 9.36 0.44 -4.82 117.16 133.13 1hqm n TYR 90 Ca 0.14 -1.46 0.00 0.00 3.32 0.00 0.00 57.90 59.90 1hqm n TYR 90 Cb 0.42 -2.05 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 1hqm n TYR 90 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1hqm n GLN 91 N 7.68 1.79 -3.63 2.98 6.02 -1.26 -1.52 117.38 129.44 1hqm n GLN 91 Ca 0.47 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 57.39 1hqm n GLN 91 Cb 0.43 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.63 1hqm n GLN 91 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hqm s ALA 92 N -2.81 -2.04 0.61 -1.58 0.00 -1.24 -4.46 121.76 110.24 1hqm s ALA 92 Ca 0.00 1.76 -0.17 0.00 0.00 0.00 0.00 51.96 53.55 1hqm s ALA 92 Cb 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1hqm s ALA 92 CO 0.00 -0.22 1.15 -1.25 0.00 0.00 0.00 175.76 175.44 1hqm s PRO 93 N -0.30 2.95 -0.24 0.00 0.04 -1.26 -1.97 135.00 134.22 1hqm s PRO 93 Ca 0.04 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.66 1hqm s PRO 93 Cb -0.03 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.68 1hqm s PRO 93 CO -0.07 -1.17 0.32 -1.17 0.04 0.00 0.00 177.00 174.96 1hqm s LEU 94 N -4.35 -0.44 0.25 -3.56 2.96 -0.92 0.28 118.68 112.91 1hqm s LEU 94 Ca 0.72 -0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.65 1hqm s LEU 94 Cb -0.25 0.82 -0.05 0.00 0.50 0.00 0.00 46.19 47.21 1hqm s LEU 94 CO 0.35 -0.32 -0.12 -0.72 -1.32 0.00 0.00 176.35 174.21 1hqm s TYR 95 N 2.46 1.94 -0.14 5.38 -0.85 -1.17 -3.14 117.35 121.83 1hqm s TYR 95 Ca 0.10 -0.57 -0.06 0.00 -0.52 0.00 0.00 57.07 56.03 1hqm s TYR 95 Cb -0.15 -0.97 0.06 0.00 0.38 0.00 0.00 41.96 41.28 1hqm s TYR 95 CO -0.17 0.41 0.29 0.00 -1.52 0.00 0.00 175.55 174.56 1hqm s ALA 96 N -2.88 -0.68 0.03 9.51 0.00 0.67 0.07 121.76 128.49 1hqm s ALA 96 Ca 0.27 1.08 -0.32 0.00 0.00 0.00 0.00 51.96 52.98 1hqm s ALA 96 Cb 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 23.12 22.05 1hqm s ALA 96 CO 0.11 -0.53 1.86 0.54 0.00 0.00 0.00 175.76 177.74 1hqm n ARG 97 N 5.01 2.53 -3.82 0.00 1.74 -0.48 -4.47 116.66 117.19 1hqm n ARG 97 Ca -0.12 0.92 -0.29 0.00 -0.77 0.00 0.00 57.85 57.59 1hqm n ARG 97 Cb 0.51 -2.81 -0.13 0.00 -1.02 0.00 0.00 32.46 29.01 1hqm n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hqm s LEU 98 N 3.43 3.67 -0.18 0.55 1.43 -1.24 -3.64 118.68 122.70 1hqm s LEU 98 Ca 0.87 -3.09 -0.29 0.00 -1.03 0.00 0.00 54.13 50.60 1hqm s LEU 98 Cb -0.56 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1hqm s LEU 98 CO 0.44 -0.20 1.74 0.00 0.23 0.00 0.00 176.35 178.55 1hqm s GLN 99 N -0.32 3.78 0.57 1.70 -2.07 -1.17 -4.39 119.66 117.75 1hqm s GLN 99 Ca 0.20 1.86 -0.03 0.00 -1.82 0.00 0.00 55.36 55.57 1hqm s GLN 99 Cb -0.18 -4.09 0.02 0.00 -1.09 0.00 0.00 33.01 27.67 1hqm s GLN 99 CO -0.05 -1.33 0.84 -0.48 -1.32 0.00 0.00 175.29 172.95 1hqm s LEU 100 N 5.43 3.25 0.00 2.60 0.05 -0.65 -1.78 118.68 127.58 1hqm s LEU 100 Ca 0.77 0.37 0.01 0.00 0.05 0.00 0.00 54.13 55.33 1hqm s LEU 100 Cb -0.29 -3.19 -0.00 0.00 -2.05 0.00 0.00 46.19 40.66 1hqm s LEU 100 CO 0.31 -1.11 0.04 -0.38 -0.55 0.00 0.00 176.35 174.66 1hqm n ILE 101 N -2.47 0.00 -4.16 1.48 2.08 -1.26 -3.37 119.36 111.65 1hqm n ILE 101 Ca 0.05 -1.56 -0.13 0.00 0.56 0.00 0.00 62.75 61.67 1hqm n ILE 101 Cb 0.59 0.40 -0.08 0.00 -0.75 0.00 0.00 39.64 39.80 1hqm n ILE 101 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1hqm s HIS 102 N -2.32 1.12 -0.32 1.39 3.76 -1.25 0.28 115.29 117.95 1hqm s HIS 102 Ca 0.05 -1.30 0.07 0.00 -0.15 0.00 0.00 55.06 53.73 1hqm s HIS 102 Cb 0.00 -0.37 0.46 0.00 1.11 0.00 0.00 32.58 33.78 1hqm s HIS 102 CO 0.04 -0.84 1.34 1.63 -0.85 0.00 0.00 174.74 176.06 1hqm n LYS 103 N -0.41 2.76 -1.30 1.40 4.76 -1.24 -4.15 118.16 119.98 1hqm n LYS 103 Ca 0.02 -3.71 -0.03 0.00 -2.87 0.00 0.00 58.31 51.72 1hqm n LYS 103 Cb 0.64 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.74 1hqm n LYS 103 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1hqm n ASP 104 N -0.90 -0.21 -1.95 4.39 5.75 -1.26 -4.82 116.55 117.55 1hqm n ASP 104 Ca 0.39 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1hqm n ASP 104 Cb 0.90 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 1hqm n ASP 104 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1hqm n THR 105 N 0.10 -8.70 -3.15 2.12 -1.04 -1.26 -5.07 114.28 97.28 1hqm n THR 105 Ca -0.14 2.62 0.06 0.00 -2.04 0.00 0.00 64.05 64.55 1hqm n THR 105 Cb 0.88 -3.95 -0.00 0.00 -1.82 0.00 0.00 70.33 65.43 1hqm n THR 105 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1hqm s GLY 106 N -1.00 -0.65 -0.37 3.41 0.00 -1.26 -4.88 107.32 102.56 1hqm s GLY 106 Ca 0.00 2.62 -0.13 0.00 0.00 0.00 0.00 44.72 47.21 1hqm s GLY 106 CO 0.00 4.19 0.24 1.08 0.00 0.00 0.00 173.10 178.61 1hqm s LEU 107 N 3.00 4.75 -0.13 0.66 1.43 -1.26 -3.74 118.68 123.39 1hqm s LEU 107 Ca 0.24 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1hqm s LEU 107 Cb -0.01 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1hqm s LEU 107 CO -0.19 -0.36 -0.12 -0.63 0.23 0.00 0.00 176.35 175.29 1hqm s ILE 108 N 1.63 1.34 -0.40 -0.59 1.01 -1.22 -5.05 121.20 117.93 1hqm s ILE 108 Ca 0.04 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1hqm s ILE 108 Cb -0.19 -1.28 0.11 0.00 0.01 0.00 0.00 42.46 41.11 1hqm s ILE 108 CO 0.08 0.42 0.16 -0.54 0.00 0.00 0.00 174.94 175.06 1hqm s LYS 109 N 1.44 1.81 -0.47 2.79 1.02 -1.26 -1.63 119.74 123.45 1hqm s LYS 109 Ca 0.02 -1.96 -0.28 0.00 0.02 0.00 0.00 55.97 53.78 1hqm s LYS 109 Cb -0.13 -3.41 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1hqm s LYS 109 CO -0.08 -1.03 1.72 -1.21 -0.92 0.00 0.00 175.35 173.84 1hqm s GLU 110 N 0.84 3.11 0.19 1.68 0.41 -1.26 -4.91 118.70 118.76 1hqm s GLU 110 Ca 0.11 0.95 -0.32 0.00 -0.41 0.00 0.00 54.97 55.30 1hqm s GLU 110 Cb -0.21 -4.23 -0.16 0.00 -1.78 0.00 0.00 34.13 27.75 1hqm s GLU 110 CO -0.05 -2.14 1.09 -0.25 -0.49 0.00 0.00 175.26 173.42 1hqm n ASP 111 N 10.88 1.12 0.00 -0.19 8.00 -1.26 -3.72 116.55 131.39 1hqm n ASP 111 Ca 0.20 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.85 1hqm n ASP 111 Cb 0.49 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 1hqm n ASP 111 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hqm n GLU 112 N 1.51 0.00 -1.98 -1.24 -0.58 -1.26 -4.66 120.64 112.44 1hqm n GLU 112 Ca 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.86 1hqm n GLU 112 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 1hqm n GLU 112 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hqm n VAL 113 N 0.00 -5.46 -1.20 2.62 0.31 -1.25 -0.24 118.33 113.11 1hqm n VAL 113 Ca 0.00 0.45 -0.38 0.00 -0.01 0.00 0.00 64.34 64.39 1hqm n VAL 113 Cb 0.00 -5.17 0.02 0.00 -0.91 0.00 0.00 33.84 27.78 1hqm n VAL 113 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1hqm n PHE 114 N -0.20 -3.27 -2.68 3.52 3.01 -1.26 -3.33 117.46 113.25 1hqm n PHE 114 Ca 0.03 0.35 0.00 0.00 1.01 0.00 0.00 57.45 58.84 1hqm n PHE 114 Cb 0.11 -1.65 0.00 0.00 -0.01 0.00 0.00 39.48 37.93 1hqm n PHE 114 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1hqm n LEU 115 N 2.57 0.00 -4.09 4.37 7.94 -1.19 -4.70 117.00 121.91 1hqm n LEU 115 Ca 0.06 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.60 1hqm n LEU 115 Cb 0.49 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.50 1hqm n LEU 115 CO 0.54 0.00 -1.21 0.61 -1.11 0.00 0.00 177.39 176.22 1hqm n GLY 116 N 0.00 -3.82 3.24 -3.96 0.00 -1.24 -4.21 105.19 95.20 1hqm n GLY 116 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 1hqm n GLY 116 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hqm s HIS 117 N -2.08 3.38 -0.53 1.61 3.76 -1.26 -2.16 115.29 118.00 1hqm s HIS 117 Ca 0.43 -1.70 -0.24 0.00 -0.15 0.00 0.00 55.06 53.41 1hqm s HIS 117 Cb -0.14 -3.45 0.04 0.00 1.11 0.00 0.00 32.58 30.15 1hqm s HIS 117 CO 0.77 -0.97 0.90 -1.17 -0.85 0.00 0.00 174.74 173.42 1hqm s LEU 118 N 1.42 4.20 0.13 0.89 0.20 -0.83 -4.68 118.68 120.00 1hqm s LEU 118 Ca 0.05 -0.37 -0.35 0.00 0.69 0.00 0.00 54.13 54.15 1hqm s LEU 118 Cb -0.26 -2.82 -0.16 0.00 -0.43 0.00 0.00 46.19 42.52 1hqm s LEU 118 CO 0.01 -1.16 1.28 -0.81 -0.29 0.00 0.00 176.35 175.37 1hqm n PRO 119 N 7.26 1.21 -2.99 0.98 -0.04 -1.26 -3.64 135.00 136.52 1hqm n PRO 119 Ca 0.01 0.44 -0.23 0.00 -0.04 0.00 0.00 63.50 63.67 1hqm n PRO 119 Cb 0.47 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1hqm n PRO 119 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hqm s LEU 120 N 0.56 3.68 -0.09 1.53 1.43 -0.57 -4.96 118.68 120.26 1hqm s LEU 120 Ca 0.79 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1hqm s LEU 120 Cb -0.89 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1hqm s LEU 120 CO 0.49 -0.66 -0.14 -0.32 0.23 0.00 0.00 176.35 175.95 1hqm s MET 121 N -4.55 2.94 0.82 1.70 -2.45 -1.26 -4.63 119.30 111.86 1hqm s MET 121 Ca 0.47 -0.70 -0.10 0.00 -1.25 0.00 0.00 55.69 54.11 1hqm s MET 121 Cb -0.10 -2.49 0.09 0.00 1.25 0.00 0.00 34.83 33.57 1hqm s MET 121 CO 0.38 0.42 1.11 0.99 1.05 0.00 0.00 175.02 178.97 1hqm s THR 122 N -0.19 2.91 0.51 10.11 2.01 -0.98 -4.86 115.64 125.15 1hqm s THR 122 Ca -0.00 0.30 0.28 0.00 0.31 0.00 0.00 61.69 62.58 1hqm s THR 122 Cb -0.13 -2.64 0.46 0.00 0.01 0.00 0.00 72.50 70.20 1hqm s THR 122 CO 0.03 -0.39 1.89 -0.08 -0.69 0.00 0.00 174.62 175.38 1hqm h GLU 123 N -1.38 0.09 0.17 4.92 4.81 -2.00 -2.00 114.58 119.19 1hqm h GLU 123 Ca -0.44 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1hqm h GLU 123 Cb 1.24 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1hqm h GLU 123 CO 0.48 0.06 -0.41 0.22 -0.73 0.00 0.00 179.01 178.63 1hqm h ASP 124 N 0.09 -1.20 0.00 1.04 1.82 -1.94 -3.48 116.42 112.75 1hqm h ASP 124 Ca 0.43 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1hqm h ASP 124 Cb 1.56 0.43 0.00 0.00 0.68 0.00 0.00 39.33 42.01 1hqm h ASP 124 CO -0.05 -0.46 0.00 0.61 -1.61 0.00 0.00 179.24 177.73 1hqm n GLY 125 N -1.39 0.77 1.12 -0.78 0.00 -0.75 -4.97 105.19 99.18 1hqm n GLY 125 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1hqm n GLY 125 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqm n SER 126 N 0.00 -0.69 -4.30 1.61 3.41 -1.26 -4.86 113.62 107.53 1hqm n SER 126 Ca 0.00 -1.47 -0.18 0.00 -0.26 0.00 0.00 58.87 56.95 1hqm n SER 126 Cb 0.00 1.14 -0.11 0.00 -0.26 0.00 0.00 64.21 64.99 1hqm n SER 126 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1hqm s PHE 127 N -6.92 1.57 -0.31 7.33 0.40 0.17 -2.32 117.98 117.89 1hqm s PHE 127 Ca 0.05 -0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1hqm s PHE 127 Cb -0.01 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.77 1hqm s PHE 127 CO 0.04 0.25 0.07 0.42 0.70 0.00 0.00 175.22 176.70 1hqm s ILE 128 N -2.60 3.67 -0.20 0.64 1.09 -1.26 0.40 121.20 122.95 1hqm s ILE 128 Ca 0.16 -1.01 -0.02 0.00 -1.10 0.00 0.00 60.65 58.69 1hqm s ILE 128 Cb -0.02 -3.00 0.06 0.00 -1.06 0.00 0.00 42.46 38.43 1hqm s ILE 128 CO 0.05 -0.05 0.01 -0.63 -0.10 0.00 0.00 174.94 174.22 1hqm s ILE 129 N 1.41 0.73 -1.27 2.92 1.01 0.06 -0.42 121.20 125.64 1hqm s ILE 129 Ca -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1hqm s ILE 129 Cb -0.18 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1hqm s ILE 129 CO 0.02 -0.16 1.06 0.59 0.00 0.00 0.00 174.94 176.45 1hqm n ASN 130 N 4.98 -3.74 0.00 3.58 3.02 -1.23 -3.50 115.26 118.36 1hqm n ASN 130 Ca -0.10 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1hqm n ASN 130 Cb 0.47 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.60 1hqm n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqm n GLY 131 N -1.50 2.13 3.73 7.41 0.00 -1.19 -4.42 105.19 111.36 1hqm n GLY 131 Ca -0.17 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1hqm n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqm s ALA 132 N 0.00 1.89 -0.09 4.61 0.00 -1.23 -4.30 121.76 122.64 1hqm s ALA 132 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 1hqm s ALA 132 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1hqm s ALA 132 CO 0.00 -2.14 0.49 -0.51 0.00 0.00 0.00 175.76 173.60 1hqm s ASP 133 N -3.22 6.75 0.23 0.00 1.01 -1.26 -0.76 116.67 119.42 1hqm s ASP 133 Ca 0.63 0.89 0.04 0.00 0.71 0.00 0.00 52.55 54.82 1hqm s ASP 133 Cb -0.19 -2.30 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 1hqm s ASP 133 CO 0.57 0.05 -0.02 -0.13 0.21 0.00 0.00 175.17 175.85 1hqm s ARG 134 N 0.30 1.35 -0.00 8.23 0.52 0.16 -3.98 118.95 125.53 1hqm s ARG 134 Ca 0.27 -1.67 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 1hqm s ARG 134 Cb -0.16 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.60 1hqm s ARG 134 CO 0.12 -0.06 -0.09 0.08 0.02 0.00 0.00 175.30 175.37 1hqm s VAL 135 N -3.34 0.74 -0.42 3.52 1.01 0.35 0.41 120.40 122.67 1hqm s VAL 135 Ca 0.28 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.66 1hqm s VAL 135 Cb 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.83 1hqm s VAL 135 CO 0.09 0.19 0.39 -0.63 0.00 0.00 0.00 175.10 175.13 1hqm s ILE 136 N -0.26 5.15 -0.25 2.22 -1.09 -1.26 -1.34 121.20 124.36 1hqm s ILE 136 Ca 0.03 -0.46 -0.27 0.00 -2.23 0.00 0.00 60.65 57.72 1hqm s ILE 136 Cb -0.04 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1hqm s ILE 136 CO -0.00 -0.39 0.96 -0.69 -1.23 0.00 0.00 174.94 173.59 1hqm s VAL 137 N 1.98 4.72 -0.08 2.92 1.01 -1.04 -4.69 120.40 125.21 1hqm s VAL 137 Ca 0.10 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.56 1hqm s VAL 137 Cb -0.18 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1hqm s VAL 137 CO 0.12 -0.19 1.99 -0.94 0.00 0.00 0.00 175.10 176.08 1hqm s SER 138 N 1.34 6.12 0.49 3.32 1.04 -1.26 -4.62 113.70 120.13 1hqm s SER 138 Ca 0.40 2.26 -0.02 0.00 0.48 0.00 0.00 55.95 59.07 1hqm s SER 138 Cb -0.15 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 1hqm s SER 138 CO 0.08 -1.38 0.75 0.00 0.98 0.00 0.00 173.24 173.68 1hqm s GLN 139 N 5.10 3.13 0.03 4.02 -2.07 -1.25 -1.37 119.66 127.25 1hqm s GLN 139 Ca 0.90 -0.22 0.04 0.00 -1.82 0.00 0.00 55.36 54.26 1hqm s GLN 139 Cb -0.37 -2.45 -0.02 0.00 -1.09 0.00 0.00 33.01 29.09 1hqm s GLN 139 CO 0.37 -0.36 -0.11 0.96 -1.32 0.00 0.00 175.29 174.83 1hqm s ILE 140 N -2.70 0.88 0.21 3.63 -4.36 -0.64 -2.01 121.20 116.21 1hqm s ILE 140 Ca 0.49 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 60.01 1hqm s ILE 140 Cb -0.10 -0.82 -0.00 0.00 1.25 0.00 0.00 42.46 42.79 1hqm s ILE 140 CO 0.41 -0.06 0.25 0.00 0.24 0.00 0.00 174.94 175.78 1hqm n HIS 141 N 1.98 -0.82 -2.10 1.37 1.44 -0.55 -4.71 115.22 111.84 1hqm n HIS 141 Ca -0.18 -1.54 -0.42 0.00 -2.01 0.00 0.00 57.72 53.57 1hqm n HIS 141 Cb 0.55 0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.91 1hqm n HIS 141 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1hqm s ARG 142 N -2.62 4.16 0.40 -1.40 6.06 -1.26 0.44 118.95 124.72 1hqm s ARG 142 Ca 0.20 2.04 -0.26 0.00 -2.50 0.00 0.00 55.73 55.21 1hqm s ARG 142 Cb 0.00 -3.94 -0.11 0.00 0.06 0.00 0.00 34.95 30.96 1hqm s ARG 142 CO 0.14 -0.85 1.26 0.45 -2.50 0.00 0.00 175.30 173.81 1hqm n SER 143 N 7.12 2.53 -4.39 -2.12 2.88 0.14 -4.67 113.62 115.11 1hqm n SER 143 Ca 0.17 1.14 -0.33 0.00 -1.33 0.00 0.00 58.87 58.51 1hqm n SER 143 Cb 0.43 -1.49 0.12 0.00 -0.75 0.00 0.00 64.21 62.53 1hqm n SER 143 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1hqm n PRO 144 N 0.21 -0.38 0.00 -1.46 -0.02 -1.26 -4.83 135.00 127.26 1hqm n PRO 144 Ca 0.06 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1hqm n PRO 144 Cb 0.38 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1hqm n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqm n GLY 145 N 1.61 0.53 3.60 -1.23 0.00 0.29 -4.80 105.19 105.19 1hqm n GLY 145 Ca 0.06 -1.38 -0.02 0.00 0.00 0.00 0.00 46.02 44.67 1hqm n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqm s VAL 146 N -3.92 -0.46 -0.39 1.61 1.01 -1.26 0.23 120.40 117.21 1hqm s VAL 146 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1hqm s VAL 146 Cb 0.00 -1.00 0.38 0.00 0.00 0.00 0.00 36.38 35.76 1hqm s VAL 146 CO 0.00 0.00 1.36 0.00 0.00 0.00 0.00 175.10 176.46 1hqm n TYR 147 N 4.76 -2.40 0.00 5.22 0.18 -1.04 -4.90 117.16 118.98 1hqm n TYR 147 Ca -0.15 -1.88 0.00 0.00 1.88 0.00 0.00 57.90 57.75 1hqm n TYR 147 Cb 0.54 1.60 0.00 0.00 -0.38 0.00 0.00 39.34 41.09 1hqm n TYR 147 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1hqm n PHE 148 N -0.64 0.00 0.00 -3.48 3.01 -1.26 -4.69 117.46 110.41 1hqm n PHE 148 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1hqm n PHE 148 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 1hqm n PHE 148 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1hqm n THR 149 N 0.00 0.00 -1.78 4.37 -1.04 -0.72 -4.03 114.28 111.08 1hqm n THR 149 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1hqm n THR 149 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 1hqm n THR 149 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1hqm s PRO 150 N -4.65 4.13 -0.45 -2.82 0.04 -1.22 0.33 135.00 130.37 1hqm s PRO 150 Ca 0.00 2.57 -0.28 0.00 0.04 0.00 0.00 61.00 63.33 1hqm s PRO 150 Cb 0.00 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 1hqm s PRO 150 CO 0.00 -0.64 1.79 0.34 0.04 0.00 0.00 177.00 178.53 1hqm s ASP 151 N 0.55 5.67 0.57 6.66 -1.08 -1.21 -4.65 116.67 123.19 1hqm s ASP 151 Ca 0.64 0.86 0.33 0.00 -0.52 0.00 0.00 52.55 53.86 1hqm s ASP 151 Cb -0.48 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 39.91 1hqm s ASP 151 CO 0.46 -1.96 1.77 1.55 0.52 0.00 0.00 175.17 177.51 1hqm h PRO 152 N 13.54 0.00 0.00 4.34 0.13 -1.90 -3.33 132.00 144.78 1hqm h PRO 152 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1hqm h PRO 152 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1hqm h PRO 152 CO 1.11 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.88 1hqm n ALA 153 N -2.58 0.00 -3.86 -0.56 0.00 -1.26 -4.76 120.51 107.49 1hqm n ALA 153 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1hqm n ALA 153 Cb 1.11 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.40 1hqm n ALA 153 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1hqm s ARG 154 N 0.00 1.25 0.00 0.00 1.81 -1.25 -5.04 118.95 115.72 1hqm s ARG 154 Ca 0.00 -0.69 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 1hqm s ARG 154 Cb 0.00 -2.29 0.00 0.00 -0.45 0.00 0.00 34.95 32.21 1hqm s ARG 154 CO 0.00 -0.57 0.00 -2.30 -0.68 0.00 0.00 175.30 171.75 1hqm n PRO 155 N 4.84 0.00 0.00 3.54 -0.02 -1.26 -4.95 135.00 137.15 1hqm n PRO 155 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1hqm n PRO 155 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 1hqm n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqm n GLY 156 N 0.36 -2.01 1.83 -1.23 0.00 -1.26 -5.00 105.19 97.88 1hqm n GLY 156 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 46.02 46.71 1hqm n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqm n ARG 157 N 0.00 0.00 -4.32 1.61 5.12 -1.26 -3.29 116.66 114.52 1hqm n ARG 157 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 1hqm n ARG 157 Cb 0.00 -0.64 -0.08 0.00 -1.16 0.00 0.00 32.46 30.59 1hqm n ARG 157 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1hqm s TYR 158 N -0.33 2.63 -0.18 -1.55 -0.85 0.15 -4.64 117.35 112.59 1hqm s TYR 158 Ca 0.40 -0.25 -0.01 0.00 -0.52 0.00 0.00 57.07 56.68 1hqm s TYR 158 Cb -0.57 -1.19 -0.00 0.00 0.38 0.00 0.00 41.96 40.58 1hqm s TYR 158 CO 0.30 0.62 -0.11 0.42 -1.52 0.00 0.00 175.55 175.26 1hqm s ILE 159 N -2.36 2.98 -0.01 -3.49 1.01 -0.13 -1.76 121.20 117.44 1hqm s ILE 159 Ca 0.32 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1hqm s ILE 159 Cb -0.06 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1hqm s ILE 159 CO 0.19 0.48 -0.13 0.00 0.00 0.00 0.00 174.94 175.48 1hqm s ALA 160 N 1.02 2.74 -0.26 9.38 0.00 -1.26 0.10 121.76 133.50 1hqm s ALA 160 Ca -0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 1hqm s ALA 160 Cb -0.15 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.05 1hqm s ALA 160 CO -0.02 0.58 -0.03 -1.12 0.00 0.00 0.00 175.76 175.17 1hqm s SER 161 N -1.13 4.53 -0.92 0.00 0.01 0.31 -2.49 113.70 114.01 1hqm s SER 161 Ca 0.14 -0.86 -0.17 0.00 1.31 0.00 0.00 55.95 56.36 1hqm s SER 161 Cb -0.11 -1.71 0.16 0.00 0.21 0.00 0.00 66.02 64.57 1hqm s SER 161 CO 0.04 -0.15 1.05 -0.63 0.41 0.00 0.00 173.24 173.96 1hqm s ILE 162 N 1.36 5.00 1.03 1.44 1.09 0.63 -3.05 121.20 128.69 1hqm s ILE 162 Ca 0.00 -1.90 -0.15 0.00 -1.10 0.00 0.00 60.65 57.50 1hqm s ILE 162 Cb -0.17 -4.70 0.08 0.00 -1.06 0.00 0.00 42.46 36.61 1hqm s ILE 162 CO -0.03 -1.38 0.29 2.30 -0.10 0.00 0.00 174.94 176.03 1hqm n ILE 163 N 5.00 0.00 0.00 2.92 -6.64 -1.26 0.11 119.36 119.49 1hqm n ILE 163 Ca 0.22 -0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 1hqm n ILE 163 Cb 0.48 -0.64 0.00 0.00 -1.44 0.00 0.00 39.64 38.04 1hqm n ILE 163 CO 0.00 0.00 0.00 -0.81 -1.77 0.00 0.00 176.55 173.97 1hqm n PRO 164 N -2.05 0.00 -3.52 6.28 -0.04 -1.26 -4.45 135.00 129.96 1hqm n PRO 164 Ca 0.04 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 1hqm n PRO 164 Cb 0.57 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.98 1hqm n PRO 164 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hqm s LEU 165 N 0.00 4.28 0.00 1.53 1.43 -1.26 -4.44 118.68 120.22 1hqm s LEU 165 Ca 0.00 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 1hqm s LEU 165 Cb 0.00 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.94 1hqm s LEU 165 CO 0.00 0.07 0.11 -2.65 0.23 0.00 0.00 176.35 174.11 1hqm n PRO 166 N 0.44 0.00 -3.17 1.29 -0.02 -1.26 -1.17 135.00 131.11 1hqm n PRO 166 Ca -0.04 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.25 1hqm n PRO 166 Cb 0.52 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.46 1hqm n PRO 166 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1hqm n LYS 167 N -0.61 0.92 -0.30 -0.52 5.02 -1.26 -4.80 118.16 116.61 1hqm n LYS 167 Ca 0.00 -3.28 -0.01 0.00 -2.02 0.00 0.00 58.31 53.00 1hqm n LYS 167 Cb 0.01 -1.59 -0.01 0.00 -0.02 0.00 0.00 35.03 33.42 1hqm n LYS 167 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1hqm n ARG 168 N 0.51 0.00 0.00 1.97 0.63 -0.32 -5.06 116.66 114.39 1hqm n ARG 168 Ca 0.23 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1hqm n ARG 168 Cb 0.64 0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.70 1hqm n ARG 168 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hqm n GLY 169 N 0.00 3.32 3.83 5.14 0.00 -0.04 -2.58 105.19 114.86 1hqm n GLY 169 Ca -0.03 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1hqm n GLY 169 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1hqm s PRO 170 N -2.00 4.03 -0.33 1.61 0.02 -1.26 -4.81 135.00 132.26 1hqm s PRO 170 Ca 0.00 0.54 -0.28 0.00 0.02 0.00 0.00 61.00 61.28 1hqm s PRO 170 Cb 0.00 -3.06 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 1hqm s PRO 170 CO 0.00 0.56 1.76 -0.46 -0.33 0.00 0.00 177.00 178.53 1hqm s TRP 171 N -1.31 1.86 -0.20 6.54 -0.00 -1.26 -4.54 118.94 120.04 1hqm s TRP 171 Ca 0.33 0.62 -0.04 0.00 -0.00 0.00 0.00 56.10 57.01 1hqm s TRP 171 Cb -0.17 -4.15 -0.02 0.00 -0.00 0.00 0.00 33.47 29.14 1hqm s TRP 171 CO 0.18 -2.88 -0.03 -1.50 -0.00 0.00 0.00 176.95 172.73 1hqm s ILE 172 N 6.72 3.67 -0.19 5.86 2.07 -1.17 -3.88 121.20 134.28 1hqm s ILE 172 Ca 0.78 -0.41 -0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1hqm s ILE 172 Cb -0.22 -2.65 0.01 0.00 0.13 0.00 0.00 42.46 39.73 1hqm s ILE 172 CO 0.34 0.44 -0.16 -1.81 -1.91 0.00 0.00 174.94 171.83 1hqm s ASP 173 N 1.09 3.43 -0.42 4.50 1.01 -1.23 0.11 116.67 125.16 1hqm s ASP 173 Ca 0.02 -0.58 -0.20 0.00 0.71 0.00 0.00 52.55 52.50 1hqm s ASP 173 Cb -0.15 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.26 1hqm s ASP 173 CO 0.01 -0.00 0.60 -0.76 0.21 0.00 0.00 175.17 175.23 1hqm s LEU 174 N 1.31 4.51 -0.33 1.23 1.43 0.29 -2.45 118.68 124.66 1hqm s LEU 174 Ca 0.05 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1hqm s LEU 174 Cb -0.13 -2.68 0.07 0.00 0.03 0.00 0.00 46.19 43.48 1hqm s LEU 174 CO -0.10 -0.70 0.04 -0.70 0.23 0.00 0.00 176.35 175.12 1hqm s GLU 175 N 2.68 2.21 -0.48 1.70 2.12 -0.55 -0.95 118.70 125.43 1hqm s GLU 175 Ca 0.21 -1.47 -0.29 0.00 0.36 0.00 0.00 54.97 53.78 1hqm s GLU 175 Cb -0.15 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.02 1hqm s GLU 175 CO 0.17 -0.76 1.16 0.14 -0.54 0.00 0.00 175.26 175.43 1hqm s VAL 176 N 1.18 4.18 0.00 3.70 -7.23 -1.26 -1.86 120.40 119.11 1hqm s VAL 176 Ca -0.01 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 1hqm s VAL 176 Cb -0.20 -4.59 0.00 0.00 0.56 0.00 0.00 36.38 32.15 1hqm s VAL 176 CO -0.03 -1.01 0.00 -1.84 -0.31 0.00 0.00 175.10 171.92 1hqm n GLU 177 N 7.87 3.38 -0.04 4.82 0.28 -1.26 -4.85 120.64 130.85 1hqm n GLU 177 Ca 0.12 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.07 1hqm n GLU 177 Cb 0.49 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.34 1hqm n GLU 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1hqm n ALA 178 N -3.00 1.18 -3.12 -1.84 0.00 -1.26 -4.23 120.51 108.23 1hqm n ALA 178 Ca 0.00 -0.50 -0.44 0.00 0.00 0.00 0.00 53.44 52.50 1hqm n ALA 178 Cb 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 1hqm n ALA 178 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hqm s SER 179 N -5.43 7.17 0.00 0.00 1.04 -1.26 -4.03 113.70 111.19 1hqm s SER 179 Ca -0.16 -3.23 0.00 0.00 0.48 0.00 0.00 55.95 53.04 1hqm s SER 179 Cb 0.02 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1hqm s SER 179 CO 0.23 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1hqm n GLY 180 N 3.52 3.69 1.34 7.32 0.00 -1.26 -5.13 105.19 114.68 1hqm n GLY 180 Ca 0.30 -0.54 0.17 0.00 0.00 0.00 0.00 46.02 45.95 1hqm n GLY 180 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hqm n VAL 181 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.83 118.33 114.17 1hqm n VAL 181 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1hqm n VAL 181 Cb 0.00 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 1hqm n VAL 181 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1hqm n VAL 182 N -4.15 0.00 -4.40 2.52 0.31 -1.25 -4.47 118.33 106.90 1hqm n VAL 182 Ca -0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.99 1hqm n VAL 182 Cb 0.62 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.45 1hqm n VAL 182 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1hqm s THR 183 N 0.00 3.48 -0.48 2.52 2.01 -0.77 -0.72 115.64 121.68 1hqm s THR 183 Ca 0.00 -0.99 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 1hqm s THR 183 Cb 0.00 -2.55 0.13 0.00 0.01 0.00 0.00 72.50 70.09 1hqm s THR 183 CO 0.00 0.29 0.26 -0.32 -0.69 0.00 0.00 174.62 174.16 1hqm s MET 184 N -1.71 2.12 -0.69 4.92 1.75 -0.93 -1.48 119.30 123.28 1hqm s MET 184 Ca 0.19 -2.10 -0.12 0.00 -1.25 0.00 0.00 55.69 52.41 1hqm s MET 184 Cb -0.11 -3.57 0.18 0.00 2.84 0.00 0.00 34.83 34.17 1hqm s MET 184 CO 0.10 -1.09 0.61 -1.59 -0.65 0.00 0.00 175.02 172.39 1hqm s LYS 185 N 0.65 3.16 0.00 4.11 -2.85 -1.03 -3.42 119.74 120.36 1hqm s LYS 185 Ca 0.12 -2.25 -0.18 0.00 -1.00 0.00 0.00 55.97 52.66 1hqm s LYS 185 Cb -0.22 -4.22 -0.06 0.00 -2.06 0.00 0.00 37.83 31.28 1hqm s LYS 185 CO -0.04 -1.26 0.51 0.08 0.10 0.00 0.00 175.35 174.74 1hqm s VAL 186 N 0.54 4.93 0.00 1.79 1.01 -0.91 -3.58 120.40 124.19 1hqm s VAL 186 Ca 0.13 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1hqm s VAL 186 Cb -0.18 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1hqm s VAL 186 CO -0.05 0.49 0.00 -0.46 0.00 0.00 0.00 175.10 175.09 1hqm n ASN 187 N 2.29 0.00 -3.40 3.32 0.23 -1.25 -0.69 115.26 115.76 1hqm n ASN 187 Ca -0.10 0.00 -0.34 0.00 -0.53 0.00 0.00 54.58 53.61 1hqm n ASN 187 Cb 0.51 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.19 1hqm n ASN 187 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1hqm n LYS 188 N 0.00 4.03 -3.53 -3.83 4.81 -1.26 -4.97 118.16 113.41 1hqm n LYS 188 Ca 0.00 -4.73 0.00 0.00 -0.87 0.00 0.00 58.31 52.71 1hqm n LYS 188 Cb 0.00 -2.36 -0.04 0.00 0.02 0.00 0.00 35.03 32.65 1hqm n LYS 188 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1hqm s ARG 189 N -3.50 0.44 -0.10 1.64 0.52 0.14 -4.98 118.95 113.10 1hqm s ARG 189 Ca 0.42 1.11 -0.03 0.00 -0.52 0.00 0.00 55.73 56.70 1hqm s ARG 189 Cb 0.20 0.67 -0.03 0.00 0.52 0.00 0.00 34.95 36.30 1hqm s ARG 189 CO -0.08 -0.15 0.01 0.21 0.02 0.00 0.00 175.30 175.31 1hqm s LYS 190 N 2.68 3.17 0.11 3.54 2.20 -1.26 -2.14 119.74 128.04 1hqm s LYS 190 Ca -0.04 -0.40 -0.25 0.00 -0.36 0.00 0.00 55.97 54.92 1hqm s LYS 190 Cb -0.09 -2.86 0.08 0.00 -1.51 0.00 0.00 37.83 33.45 1hqm s LYS 190 CO -0.18 0.62 0.68 -0.59 -0.36 0.00 0.00 175.35 175.51 1hqm s PHE 191 N -0.64 -0.49 -0.07 4.03 -0.12 -1.22 -5.00 117.98 114.46 1hqm s PHE 191 Ca 0.11 0.33 -0.33 0.00 -0.05 0.00 0.00 56.93 56.99 1hqm s PHE 191 Cb -0.12 0.55 -0.11 0.00 -0.63 0.00 0.00 43.02 42.71 1hqm s PHE 191 CO 0.02 -0.76 1.93 -2.30 -0.05 0.00 0.00 175.22 174.06 1hqm n PRO 192 N -0.29 2.31 0.33 1.99 -0.02 -1.26 -2.18 135.00 135.87 1hqm n PRO 192 Ca -0.15 0.84 0.21 0.00 -2.02 0.00 0.00 63.50 62.38 1hqm n PRO 192 Cb 0.64 -2.75 1.12 0.00 -0.02 0.00 0.00 33.50 32.49 1hqm n PRO 192 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hqm h LEU 193 N 9.85 0.00 0.62 2.45 7.12 -1.22 -2.67 115.31 131.45 1hqm h LEU 193 Ca -0.48 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.50 1hqm h LEU 193 Cb 1.26 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.39 1hqm h LEU 193 CO 0.95 0.01 -0.36 0.58 -0.13 0.00 0.00 178.44 179.49 1hqm h VAL 194 N 0.00 0.27 -0.58 1.05 2.07 -1.87 -3.24 116.25 113.96 1hqm h VAL 194 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1hqm h VAL 194 Cb 0.05 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 1hqm h VAL 194 CO 0.00 0.00 -0.34 -0.11 0.02 0.00 0.00 177.57 177.14 1hqm n LEU 195 N -5.50 -0.62 -0.29 2.57 7.94 -1.01 -0.02 117.00 120.09 1hqm n LEU 195 Ca -0.13 1.38 0.19 0.00 -1.11 0.00 0.00 56.01 56.35 1hqm n LEU 195 Cb 0.39 -0.31 0.48 0.00 0.53 0.00 0.00 43.42 44.51 1hqm n LEU 195 CO 0.35 -1.02 1.22 0.25 -1.11 0.00 0.00 177.39 177.09 1hqm h LEU 196 N 0.00 0.48 -0.11 -1.96 5.85 -1.71 0.69 115.31 118.55 1hqm h LEU 196 Ca 0.09 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1hqm h LEU 196 Cb 0.24 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1hqm h LEU 196 CO -0.55 0.16 0.04 -0.07 -0.34 0.00 0.00 178.44 177.68 1hqm h LEU 197 N 0.46 0.15 -0.65 2.25 3.38 -0.46 -0.13 115.31 120.32 1hqm h LEU 197 Ca 0.52 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1hqm h LEU 197 Cb 1.23 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 1hqm h LEU 197 CO -0.24 0.31 -0.26 -0.09 0.09 0.00 0.00 178.44 178.24 1hqm h ARG 198 N -0.01 -0.08 -0.57 1.13 1.12 0.50 0.73 114.38 117.20 1hqm h ARG 198 Ca 0.03 0.01 0.09 0.00 -1.11 0.00 0.00 59.98 59.00 1hqm h ARG 198 Cb 0.21 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 30.12 1hqm h ARG 198 CO -0.00 -0.06 0.19 0.28 -3.11 0.00 0.00 179.97 177.27 1hqm h VAL 199 N -0.09 0.77 0.00 0.20 2.07 -1.04 0.39 116.25 118.55 1hqm h VAL 199 Ca 0.28 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1hqm h VAL 199 Cb 0.54 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1hqm h VAL 199 CO -0.70 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.13 1hqm n LEU 200 N -5.02 0.00 0.00 2.57 4.77 0.22 -4.34 117.00 115.19 1hqm n LEU 200 Ca 0.07 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1hqm n LEU 200 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1hqm n LEU 200 CO 0.22 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 1hqm n GLY 201 N 0.24 3.22 3.06 -0.72 0.00 0.14 -4.42 105.19 106.71 1hqm n GLY 201 Ca 0.14 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1hqm n GLY 201 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1hqm n TYR 202 N 0.00 -1.80 0.00 1.61 0.53 -1.07 -4.79 117.16 111.64 1hqm n TYR 202 Ca 0.00 0.49 0.00 0.00 -1.02 0.00 0.00 57.90 57.37 1hqm n TYR 202 Cb 0.00 -1.43 0.00 0.00 -1.03 0.00 0.00 39.34 36.88 1hqm n TYR 202 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 1hqm n ASP 203 N 2.50 0.00 -0.35 7.72 5.68 -1.26 -3.88 116.55 126.96 1hqm n ASP 203 Ca -0.01 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.23 1hqm n ASP 203 Cb 0.71 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.68 1hqm n ASP 203 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1hqm n GLN 204 N -0.52 0.00 0.00 0.11 -0.06 -1.26 0.10 117.38 115.75 1hqm n GLN 204 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1hqm n GLN 204 Cb 0.00 -0.11 0.00 0.00 -4.06 0.00 0.00 30.24 26.07 1hqm n GLN 204 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1hqm n GLU 205 N 0.19 0.00 0.26 3.69 -0.58 -1.08 -4.31 120.64 118.82 1hqm n GLU 205 Ca 0.02 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.93 1hqm n GLU 205 Cb 0.00 0.00 0.90 0.00 -0.57 0.00 0.00 31.44 31.78 1hqm n GLU 205 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hqm h THR 206 N 0.00 0.44 0.00 2.62 1.03 -1.18 -3.34 112.91 112.49 1hqm h THR 206 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1hqm h THR 206 Cb 0.00 0.92 0.00 0.00 -1.07 0.00 0.00 68.15 68.00 1hqm h THR 206 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 175.52 175.40 1hqm n LEU 207 N -3.73 0.00 -4.62 0.00 7.94 0.28 -4.69 117.00 112.18 1hqm n LEU 207 Ca -0.01 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.60 1hqm n LEU 207 Cb 0.19 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.33 1hqm n LEU 207 CO 0.26 0.00 0.61 -0.69 -1.11 0.00 0.00 177.39 176.47 1hqm s VAL 208 N 0.81 2.26 -1.03 1.96 1.01 -1.26 -2.49 120.40 121.67 1hqm s VAL 208 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1hqm s VAL 208 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1hqm s VAL 208 CO 0.00 -0.11 0.40 0.54 0.00 0.00 0.00 175.10 175.93 1hqm n ARG 209 N -4.36 -3.25 0.00 2.72 1.74 -1.26 -2.64 116.66 109.60 1hqm n ARG 209 Ca 0.07 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 1hqm n ARG 209 Cb 0.54 -4.83 0.00 0.00 -1.02 0.00 0.00 32.46 27.15 1hqm n ARG 209 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1hqm n GLU 210 N -2.92 0.00 0.00 5.56 4.07 -1.13 -4.77 120.64 121.45 1hqm n GLU 210 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 1hqm n GLU 210 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 1hqm n GLU 210 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1hqm n LEU 211 N 0.00 0.00 -4.13 4.31 7.94 -1.04 -4.91 117.00 119.17 1hqm n LEU 211 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 1hqm n LEU 211 Cb 0.00 0.32 -0.01 0.00 0.53 0.00 0.00 43.42 44.26 1hqm n LEU 211 CO 0.00 -0.40 0.79 -1.54 -1.11 0.00 0.00 177.39 175.13 1hqm n SER 212 N -2.21 5.51 -0.00 1.96 3.41 -1.26 -4.74 113.62 116.29 1hqm n SER 212 Ca 0.00 -3.21 -0.04 0.00 -0.26 0.00 0.00 58.87 55.36 1hqm n SER 212 Cb 0.00 -1.25 -0.01 0.00 -0.26 0.00 0.00 64.21 62.69 1hqm n SER 212 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hqm n ALA 213 N 2.04 2.29 0.09 7.33 0.00 -1.26 -4.39 120.51 126.60 1hqm n ALA 213 Ca 0.25 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1hqm n ALA 213 Cb 0.37 0.20 0.17 0.00 0.00 0.00 0.00 19.45 20.18 1hqm n ALA 213 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1hqm n TYR 214 N -3.78 0.21 -3.40 0.00 0.18 -1.26 -3.23 117.16 105.87 1hqm n TYR 214 Ca -0.07 0.11 -0.22 0.00 1.88 0.00 0.00 57.90 59.60 1hqm n TYR 214 Cb 0.24 -0.42 -0.09 0.00 -0.38 0.00 0.00 39.34 38.68 1hqm n TYR 214 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1hqm s GLY 215 N -2.79 0.32 0.00 -7.48 0.00 -1.26 -4.99 107.32 91.12 1hqm s GLY 215 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1hqm s GLY 215 CO 0.06 2.48 0.00 1.22 0.00 0.00 0.00 173.10 176.85 1hqm n ASP 216 N 4.20 0.00 -4.26 1.64 9.92 -1.20 -4.63 116.55 122.22 1hqm n ASP 216 Ca 0.11 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.06 1hqm n ASP 216 Cb 0.42 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.80 1hqm n ASP 216 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1hqm n LEU 217 N 0.00 -0.92 0.02 0.64 4.77 -1.26 -4.71 117.00 115.54 1hqm n LEU 217 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1hqm n LEU 217 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1hqm n LEU 217 CO 0.00 0.43 -0.04 0.52 -1.33 0.00 0.00 177.39 176.97 1hqm n VAL 218 N -4.43 0.02 -0.32 4.08 0.31 -1.26 -4.76 118.33 111.97 1hqm n VAL 218 Ca -0.29 0.01 0.27 0.00 -0.01 0.00 0.00 64.34 64.31 1hqm n VAL 218 Cb 0.66 -0.60 0.51 0.00 -0.91 0.00 0.00 33.84 33.49 1hqm n VAL 218 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hqm n GLN 219 N -2.70 -0.06 0.25 5.55 6.02 -1.26 0.39 117.38 125.57 1hqm n GLN 219 Ca 0.00 1.37 0.11 0.00 -0.01 0.00 0.00 57.00 58.47 1hqm n GLN 219 Cb 0.04 -2.39 0.67 0.00 1.02 0.00 0.00 30.24 29.58 1hqm n GLN 219 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1hqm h GLY 220 N 0.00 0.00 1.59 1.08 0.00 -1.97 0.25 103.07 104.02 1hqm h GLY 220 Ca 0.77 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 48.07 1hqm h GLY 220 CO -0.79 0.00 -0.54 -2.00 0.00 0.00 0.00 176.54 173.22 1hqm h LEU 221 N 0.00 0.00 0.00 3.11 5.85 0.72 -3.38 115.31 121.61 1hqm h LEU 221 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1hqm h LEU 221 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1hqm h LEU 221 CO 0.02 0.15 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.97 1hqm h LEU 222 N 0.00 0.00 0.00 2.25 3.38 0.33 -3.41 115.31 117.86 1hqm h LEU 222 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hqm h LEU 222 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1hqm h LEU 222 CO 0.02 0.50 0.00 0.47 0.09 0.00 0.00 178.44 179.51 1hqm n ASP 223 N -4.10 0.00 -0.41 -0.43 8.00 0.75 0.42 116.55 120.78 1hqm n ASP 223 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1hqm n ASP 223 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1hqm n ASP 223 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hqm n GLU 224 N -3.24 0.60 0.30 -1.24 -0.58 -1.26 -3.92 120.64 111.29 1hqm n GLU 224 Ca 0.00 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1hqm n GLU 224 Cb 0.00 -1.24 0.41 0.00 -0.57 0.00 0.00 31.44 30.04 1hqm n GLU 224 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hqm h ALA 225 N 1.71 1.55 -1.10 0.62 0.00 0.80 1.57 119.26 124.41 1hqm h ALA 225 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.22 1hqm h ALA 225 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1hqm h ALA 225 CO 0.00 -0.55 0.71 -0.39 0.00 0.00 0.00 179.25 179.02 1hqm h VAL 226 N 0.00 0.43 -0.01 0.00 -1.51 -1.80 1.94 116.25 115.30 1hqm h VAL 226 Ca 0.00 -0.11 -0.23 0.00 -1.23 0.00 0.00 66.70 65.14 1hqm h VAL 226 Cb 1.17 0.10 0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1hqm h VAL 226 CO 0.00 0.06 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.44 1hqm h LEU 227 N 0.31 0.79 -2.12 4.19 3.38 0.19 -3.22 115.31 118.84 1hqm h LEU 227 Ca 0.64 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1hqm h LEU 227 Cb 1.77 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.27 1hqm h LEU 227 CO -0.31 1.43 0.00 0.00 0.09 0.00 0.00 178.44 179.65 1hqm n ALA 228 N -2.63 2.21 0.54 1.53 0.00 0.65 -3.46 120.51 119.36 1hqm n ALA 228 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1hqm n ALA 228 Cb 0.81 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.11 1hqm n ALA 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hqm n MET 229 N 0.77 1.04 0.00 0.00 2.81 -0.72 -4.81 117.12 116.21 1hqm n MET 229 Ca 0.00 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1hqm n MET 229 Cb 0.31 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1hqm n MET 229 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1hqm n ARG 230 N -1.64 0.00 0.00 0.03 1.85 -1.22 -5.13 116.66 110.54 1hqm n ARG 230 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1hqm n ARG 230 Cb 0.33 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.74 1hqm n ARG 230 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1hqm n PRO 231 N 0.00 2.01 0.00 2.89 -0.04 -1.26 -2.30 135.00 136.29 1hqm n PRO 231 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1hqm n PRO 231 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1hqm n PRO 231 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1hqm n GLU 232 N 0.00 0.00 -0.49 0.54 0.00 -1.26 -0.68 120.64 118.75 1hqm n GLU 232 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 57.16 57.59 1hqm n GLU 232 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 31.44 32.18 1hqm n GLU 232 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1hqm h GLU 233 N 0.00 0.00 0.00 5.31 4.22 -2.02 0.18 114.58 122.28 1hqm h GLU 233 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1hqm h GLU 233 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1hqm h GLU 233 CO 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 1hqm n ALA 234 N -2.74 -0.22 -0.22 2.92 0.00 0.15 -2.59 120.51 117.79 1hqm n ALA 234 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 1hqm n ALA 234 Cb 1.68 0.08 0.02 0.00 0.00 0.00 0.00 19.45 21.23 1hqm n ALA 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1hqm n MET 235 N -1.49 -0.14 -0.26 0.00 2.81 0.63 0.12 117.12 118.79 1hqm n MET 235 Ca 0.00 0.88 0.06 0.00 -1.81 0.00 0.00 57.70 56.84 1hqm n MET 235 Cb 0.00 -1.31 0.18 0.00 -0.71 0.00 0.00 33.22 31.38 1hqm n MET 235 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1hqm h VAL 236 N 0.00 0.42 -0.31 2.03 2.07 -1.44 3.18 116.25 122.21 1hqm h VAL 236 Ca 0.19 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 67.50 1hqm h VAL 236 Cb 0.34 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1hqm h VAL 236 CO -0.57 0.03 -0.42 0.03 0.02 0.00 0.00 177.57 176.67 1hqm h ARG 237 N 0.19 0.75 0.05 1.57 2.47 0.12 0.44 114.38 119.97 1hqm h ARG 237 Ca 0.43 -0.40 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1hqm h ARG 237 Cb 0.77 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1hqm h ARG 237 CO -0.59 1.03 -0.02 1.25 0.56 0.00 0.00 179.97 182.20 1hqm h LEU 238 N 0.61 -0.05 -0.54 3.04 5.85 0.12 -1.33 115.31 123.01 1hqm h LEU 238 Ca 0.05 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1hqm h LEU 238 Cb 0.97 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 1hqm h LEU 238 CO 0.09 0.33 0.07 0.15 -0.34 0.00 0.00 178.44 178.74 1hqm h PHE 239 N -0.45 0.10 -0.30 1.25 3.57 0.58 1.72 116.94 123.40 1hqm h PHE 239 Ca -0.01 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1hqm h PHE 239 Cb 0.41 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1hqm h PHE 239 CO 0.05 -0.06 0.30 1.15 -2.23 0.00 0.00 178.31 177.52 1hqm h THR 240 N 0.19 0.50 -0.56 4.41 2.02 0.11 0.29 112.91 119.87 1hqm h THR 240 Ca 0.28 0.00 -0.27 0.00 0.77 0.00 0.00 66.41 67.19 1hqm h THR 240 Cb 0.41 0.77 -0.16 0.00 -1.74 0.00 0.00 68.15 67.42 1hqm h THR 240 CO -0.39 0.00 0.34 0.18 0.37 0.00 0.00 175.52 176.02 1hqm n LEU 241 N -3.89 5.05 -3.46 2.58 4.77 0.58 -4.37 117.00 118.25 1hqm n LEU 241 Ca 0.05 -2.65 -0.27 0.00 -0.03 0.00 0.00 56.01 53.11 1hqm n LEU 241 Cb 0.45 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1hqm n LEU 241 CO 0.29 0.78 -0.23 0.18 -1.33 0.00 0.00 177.39 177.08 1hqm n LEU 242 N -0.36 0.66 -2.88 2.23 4.32 0.10 -4.94 117.00 116.12 1hqm n LEU 242 Ca 0.33 -4.68 -0.26 0.00 -0.02 0.00 0.00 56.01 51.38 1hqm n LEU 242 Cb 1.15 0.21 0.01 0.00 -1.62 0.00 0.00 43.42 43.17 1hqm n LEU 242 CO 0.34 1.89 -0.49 -1.14 -1.22 0.00 0.00 177.39 176.78 1hqm n ARG 243 N 2.24 0.00 0.00 3.23 0.63 -1.26 -4.77 116.66 116.73 1hqm n ARG 243 Ca 0.26 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1hqm n ARG 243 Cb 0.46 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 32.69 1hqm n ARG 243 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1hqm n PRO 244 N 1.10 3.51 -1.41 -0.14 -0.04 -1.26 -4.93 135.00 131.83 1hqm n PRO 244 Ca 0.05 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.09 1hqm n PRO 244 Cb 0.33 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.76 1hqm n PRO 244 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqm n GLY 245 N 5.00 3.47 3.66 0.55 0.00 -1.26 -4.93 105.19 111.67 1hqm n GLY 245 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 1hqm n GLY 245 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hqm s ASP 246 N 4.08 1.54 -0.63 1.61 1.01 -1.26 -4.97 116.67 118.05 1hqm s ASP 246 Ca 0.52 0.66 -0.25 0.00 0.71 0.00 0.00 52.55 54.19 1hqm s ASP 246 Cb 0.14 -0.94 0.04 0.00 1.01 0.00 0.00 42.92 43.17 1hqm s ASP 246 CO 0.02 -3.74 1.07 -2.16 0.21 0.00 0.00 175.17 170.57 1hqm s PRO 247 N -5.41 3.27 -0.38 8.23 0.04 -1.26 -4.98 135.00 134.50 1hqm s PRO 247 Ca 0.70 -0.32 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 1hqm s PRO 247 Cb -0.10 -4.12 -0.06 0.00 0.04 0.00 0.00 34.50 30.25 1hqm s PRO 247 CO 0.56 -1.77 2.34 -2.30 0.04 0.00 0.00 177.00 175.87 1hqm n PRO 248 N 8.17 1.40 -3.01 0.56 -0.02 -1.26 -4.79 135.00 136.05 1hqm n PRO 248 Ca 0.02 0.21 -0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1hqm n PRO 248 Cb 0.48 -3.33 -0.00 0.00 -0.02 0.00 0.00 33.50 30.62 1hqm n PRO 248 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hqm s LYS 249 N 7.50 0.72 0.00 -0.52 2.20 -1.26 -5.12 119.74 123.26 1hqm s LYS 249 Ca 1.00 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1hqm s LYS 249 Cb -0.26 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.11 1hqm s LYS 249 CO 0.30 -0.99 0.00 0.36 -0.36 0.00 0.00 175.35 174.66 1hqm n LYS 250 N 3.88 0.00 0.00 4.03 2.85 -1.26 -4.86 118.16 122.81 1hqm n LYS 250 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1hqm n LYS 250 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 1hqm n LYS 250 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1hqm n ASP 251 N 0.00 2.99 0.00 -5.58 8.00 -1.26 -5.01 116.55 115.69 1hqm n ASP 251 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1hqm n ASP 251 Cb 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1hqm n ASP 251 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1hqm n LYS 252 N -1.01 0.00 -0.25 -1.24 4.81 -1.26 -4.93 118.16 114.28 1hqm n LYS 252 Ca 0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.21 1hqm n LYS 252 Cb 0.07 -0.33 0.21 0.00 0.02 0.00 0.00 35.03 35.00 1hqm n LYS 252 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1hqm n ALA 253 N 0.00 -3.72 0.00 3.14 0.00 -1.26 -0.45 120.51 118.22 1hqm n ALA 253 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1hqm n ALA 253 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1hqm n ALA 253 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hqm n LEU 254 N 0.00 0.00 -0.02 0.00 7.94 -1.26 -2.87 117.00 120.79 1hqm n LEU 254 Ca 0.10 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.15 1hqm n LEU 254 Cb 0.44 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.07 1hqm n LEU 254 CO 0.29 0.00 0.96 0.00 -1.11 0.00 0.00 177.39 177.53 1hqm n ALA 255 N 0.00 2.54 0.40 1.96 0.00 -1.10 -1.79 120.51 122.53 1hqm n ALA 255 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1hqm n ALA 255 Cb 0.00 -1.44 0.19 0.00 0.00 0.00 0.00 19.45 18.20 1hqm n ALA 255 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1hqm n TYR 256 N -1.29 0.00 0.00 0.00 9.36 0.40 -3.68 117.16 121.95 1hqm n TYR 256 Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1hqm n TYR 256 Cb 0.27 -0.08 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 1hqm n TYR 256 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1hqm n LEU 257 N -1.08 0.00 -2.29 2.98 4.77 -0.74 -4.23 117.00 116.41 1hqm n LEU 257 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1hqm n LEU 257 Cb 0.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1hqm n LEU 257 CO 0.04 0.00 -0.04 0.49 -1.33 0.00 0.00 177.39 176.55 1hqm n PHE 258 N 0.00 -0.55 0.00 -1.77 3.01 -1.26 0.87 117.46 117.76 1hqm n PHE 258 Ca 0.00 0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1hqm n PHE 258 Cb 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 38.84 1hqm n PHE 258 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hqm n GLY 259 N -0.57 1.63 3.70 1.37 0.00 -1.26 -4.86 105.19 105.20 1hqm n GLY 259 Ca 0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1hqm n GLY 259 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hqm n LEU 260 N 0.00 3.54 -0.56 0.99 0.00 0.25 -4.59 117.00 116.63 1hqm n LEU 260 Ca 0.00 1.19 0.01 0.00 0.00 0.00 0.00 56.01 57.21 1hqm n LEU 260 Cb 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 43.42 41.93 1hqm n LEU 260 CO 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 177.39 176.93 1hqm n LEU 261 N 1.20 -0.06 -2.55 -1.96 -0.00 -1.26 -4.07 117.00 108.29 1hqm n LEU 261 Ca 0.07 0.15 -0.23 0.00 -0.00 0.00 0.00 56.01 55.99 1hqm n LEU 261 Cb 0.35 -1.60 -0.11 0.00 -0.00 0.00 0.00 43.42 42.06 1hqm n LEU 261 CO 0.63 -0.14 2.36 0.00 -0.00 0.00 0.00 177.39 180.24 1hqm n ALA 262 N -3.03 6.82 -0.02 1.47 0.00 -1.26 -4.51 120.51 119.98 1hqm n ALA 262 Ca -0.01 -2.51 -0.02 0.00 0.00 0.00 0.00 53.44 50.91 1hqm n ALA 262 Cb 0.07 -2.76 -0.01 0.00 0.00 0.00 0.00 19.45 16.75 1hqm n ALA 262 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hqm n ASP 263 N 2.97 0.42 -0.42 0.00 2.03 -1.26 -4.74 116.55 115.55 1hqm n ASP 263 Ca 0.57 0.20 0.08 0.00 0.52 0.00 0.00 54.79 56.16 1hqm n ASP 263 Cb 0.62 -0.57 0.18 0.00 -0.72 0.00 0.00 41.12 40.63 1hqm n ASP 263 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1hqm n PRO 264 N -2.87 1.68 -3.66 -0.67 -0.04 -1.26 -4.91 135.00 123.28 1hqm n PRO 264 Ca -0.02 -2.82 -0.06 0.00 -0.04 0.00 0.00 63.50 60.55 1hqm n PRO 264 Cb 0.09 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.86 1hqm n PRO 264 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1hqm s LYS 265 N -2.97 0.50 0.00 0.54 2.47 -1.07 -0.86 119.74 118.35 1hqm s LYS 265 Ca 0.36 1.17 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 1hqm s LYS 265 Cb 0.32 0.40 0.00 0.00 -1.46 0.00 0.00 37.83 37.09 1hqm s LYS 265 CO 0.02 -0.20 0.00 -2.13 0.16 0.00 0.00 175.35 173.20 1hqm n ARG 266 N 4.97 0.00 -0.25 4.03 0.63 -1.20 -4.20 116.66 120.64 1hqm n ARG 266 Ca -0.15 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.77 1hqm n ARG 266 Cb 0.52 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.51 1hqm n ARG 266 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1hqm n TYR 267 N 0.00 0.60 -4.61 -0.14 0.53 -1.25 -4.73 117.16 107.56 1hqm n TYR 267 Ca 0.00 -0.44 0.00 0.00 -1.02 0.00 0.00 57.90 56.44 1hqm n TYR 267 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.02 1hqm n TYR 267 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1hqm n ASP 268 N 0.13 0.00 -2.97 7.72 8.00 -1.26 -2.87 116.55 125.29 1hqm n ASP 268 Ca 0.10 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.38 1hqm n ASP 268 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.67 1hqm n ASP 268 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqm n LEU 269 N 0.00 5.32 0.00 0.64 -0.00 -1.26 -4.72 117.00 116.97 1hqm n LEU 269 Ca 0.00 -3.03 0.00 0.00 -0.00 0.00 0.00 56.01 52.98 1hqm n LEU 269 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 43.42 42.27 1hqm n LEU 269 CO 0.00 0.97 0.00 0.61 -0.00 0.00 0.00 177.39 178.97 1hqm n GLY 270 N 3.48 0.83 2.81 1.47 0.00 -1.14 -4.92 105.19 107.72 1hqm n GLY 270 Ca 0.47 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1hqm n GLY 270 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hqm n GLU 271 N 0.00 -1.06 -1.58 1.61 -0.58 -1.26 -3.83 120.64 113.93 1hqm n GLU 271 Ca 0.00 1.07 0.00 0.00 -0.42 0.00 0.00 57.16 57.81 1hqm n GLU 271 Cb 0.00 -0.76 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1hqm n GLU 271 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hqm n ALA 272 N 2.25 0.00 0.19 0.62 0.00 -1.26 -4.82 120.51 117.49 1hqm n ALA 272 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqm n ALA 272 Cb 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1hqm n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqm n GLY 273 N -1.69 -1.11 0.08 0.00 0.00 -1.25 -3.88 105.19 97.35 1hqm n GLY 273 Ca 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1hqm n GLY 273 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1hqm h ARG 274 N 0.00 0.07 0.00 1.61 0.11 -1.79 -0.73 114.38 113.65 1hqm h ARG 274 Ca 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1hqm h ARG 274 Cb 0.00 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1hqm h ARG 274 CO 0.00 1.02 0.00 0.66 0.10 0.00 0.00 179.97 181.75 1hqm n TYR 275 N -4.52 0.00 0.02 4.08 4.02 -1.26 -2.55 117.16 116.95 1hqm n TYR 275 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1hqm n TYR 275 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1hqm n TYR 275 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1hqm n LYS 276 N -0.67 0.00 0.10 -0.72 4.01 -1.20 -4.73 118.16 114.95 1hqm n LYS 276 Ca 0.02 0.00 0.05 0.00 -0.51 0.00 0.00 58.31 57.86 1hqm n LYS 276 Cb 0.01 -0.17 0.48 0.00 -0.51 0.00 0.00 35.03 34.84 1hqm n LYS 276 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1hqm h ALA 277 N 0.00 1.74 0.28 7.82 0.00 -1.18 -2.05 119.26 125.87 1hqm h ALA 277 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hqm h ALA 277 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1hqm h ALA 277 CO 0.00 0.22 -0.24 1.49 0.00 0.00 0.00 179.25 180.72 1hqm h GLU 278 N 0.32 -0.51 -1.94 0.00 4.81 -1.68 0.78 114.58 116.36 1hqm h GLU 278 Ca 0.08 0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 59.03 1hqm h GLU 278 Cb 0.07 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.45 1hqm h GLU 278 CO -0.01 -0.34 0.07 0.39 -0.73 0.00 0.00 179.01 178.39 1hqm n GLU 279 N -5.36 2.04 0.00 1.92 -0.58 -0.78 -2.64 120.64 115.24 1hqm n GLU 279 Ca -0.09 -1.52 0.00 0.00 -0.42 0.00 0.00 57.16 55.13 1hqm n GLU 279 Cb 0.27 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1hqm n GLU 279 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1hqm n LYS 280 N 1.47 0.00 -1.41 3.49 4.76 -0.81 -4.99 118.16 120.68 1hqm n LYS 280 Ca 0.39 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1hqm n LYS 280 Cb 0.69 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.87 1hqm n LYS 280 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1hqm n LEU 281 N -0.48 0.00 -1.74 -0.35 4.77 0.26 -4.95 117.00 114.51 1hqm n LEU 281 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1hqm n LEU 281 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1hqm n LEU 281 CO 0.00 -0.13 0.56 0.61 -1.33 0.00 0.00 177.39 177.10 1hqm n GLY 282 N 5.00 1.61 0.98 -0.72 0.00 -1.26 -4.84 105.19 105.96 1hqm n GLY 282 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1hqm n GLY 282 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hqm n VAL 283 N 1.75 0.00 -0.75 1.61 0.31 -1.08 -5.02 118.33 115.14 1hqm n VAL 283 Ca 0.01 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1hqm n VAL 283 Cb 0.28 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 1hqm n VAL 283 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hqm n GLY 284 N -3.05 -3.97 0.00 2.92 0.00 -1.26 -4.89 105.19 94.94 1hqm n GLY 284 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1hqm n GLY 284 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hqm n LEU 285 N -0.26 0.00 0.00 0.99 0.00 -1.26 -4.79 117.00 111.68 1hqm n LEU 285 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1hqm n LEU 285 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1hqm n LEU 285 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.19 1hqm n SER 286 N 0.74 0.00 -0.22 1.96 7.64 -1.26 -5.06 113.62 117.41 1hqm n SER 286 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1hqm n SER 286 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 1hqm n SER 286 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1hqm h GLY 287 N 0.00 0.96 0.00 0.23 0.00 -1.96 -3.40 103.07 98.90 1hqm h GLY 287 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1hqm h GLY 287 CO 0.00 -0.03 0.00 -0.96 0.00 0.00 0.00 176.54 175.55 1hqm n ARG 288 N -4.98 0.50 -3.58 4.80 -4.01 -1.26 -3.81 116.66 104.31 1hqm n ARG 288 Ca 0.11 0.00 -0.37 0.00 -1.04 0.00 0.00 57.85 56.54 1hqm n ARG 288 Cb 0.31 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.67 1hqm n ARG 288 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1hqm s THR 289 N -0.91 5.25 0.49 8.89 2.01 -1.26 -4.81 115.64 125.30 1hqm s THR 289 Ca 0.00 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1hqm s THR 289 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1hqm s THR 289 CO 0.00 0.50 0.00 -0.11 -0.69 0.00 0.00 174.62 174.32 1hqm n LEU 290 N 2.68 -0.84 -3.54 4.42 7.94 -1.26 -3.99 117.00 122.40 1hqm n LEU 290 Ca -0.14 1.95 -0.05 0.00 -1.11 0.00 0.00 56.01 56.66 1hqm n LEU 290 Cb 0.53 -3.62 -0.07 0.00 0.53 0.00 0.00 43.42 40.79 1hqm n LEU 290 CO 0.37 -2.26 0.09 -0.69 -1.11 0.00 0.00 177.39 173.80 1hqm s VAL 291 N -3.85 -0.78 0.00 1.96 1.01 -0.83 -4.57 120.40 113.34 1hqm s VAL 291 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1hqm s VAL 291 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1hqm s VAL 291 CO 0.00 0.01 0.00 -2.11 0.00 0.00 0.00 175.10 173.00 1hqm n ARG 292 N 5.41 3.96 -0.56 2.72 0.00 -1.26 0.20 116.66 127.11 1hqm n ARG 292 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.76 1hqm n ARG 292 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 32.46 32.95 1hqm n ARG 292 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1hqm n PHE 293 N 0.00 -0.04 0.11 2.89 7.35 -1.26 -4.73 117.46 121.78 1hqm n PHE 293 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1hqm n PHE 293 Cb 0.00 -1.33 -0.08 0.00 0.35 0.00 0.00 39.48 38.42 1hqm n PHE 293 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1hqm h GLU 294 N 0.00 -0.27 0.00 -4.13 4.39 -1.85 -3.44 114.58 109.27 1hqm h GLU 294 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1hqm h GLU 294 Cb 0.51 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1hqm h GLU 294 CO 0.03 0.02 0.00 -0.40 -1.16 0.00 0.00 179.01 177.50 1hqm n ASP 295 N -5.09 0.00 0.00 1.42 5.75 -1.26 -5.12 116.55 112.25 1hqm n ASP 295 Ca -0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1hqm n ASP 295 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1hqm n ASP 295 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqm n GLY 296 N 0.00 -0.25 3.16 6.12 0.00 -1.26 -5.15 105.19 107.82 1hqm n GLY 296 Ca 0.00 0.43 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 1hqm n GLY 296 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hqm n GLU 297 N 0.00 -0.12 -2.33 1.61 0.28 -1.26 -4.25 120.64 114.57 1hqm n GLU 297 Ca 0.00 -0.02 -0.28 0.00 -0.16 0.00 0.00 57.16 56.70 1hqm n GLU 297 Cb 0.00 -1.34 0.02 0.00 1.43 0.00 0.00 31.44 31.56 1hqm n GLU 297 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1hqm s PHE 298 N -2.16 3.37 -0.44 -1.84 0.40 -1.26 -4.66 117.98 111.38 1hqm s PHE 298 Ca 0.47 0.79 0.02 0.00 -0.60 0.00 0.00 56.93 57.61 1hqm s PHE 298 Cb -0.19 -2.68 0.14 0.00 0.51 0.00 0.00 43.02 40.80 1hqm s PHE 298 CO 0.77 -0.73 0.26 -1.59 0.70 0.00 0.00 175.22 174.62 1hqm s LYS 299 N -5.00 1.24 0.91 0.44 0.00 0.52 -4.67 119.74 113.17 1hqm s LYS 299 Ca 0.53 -2.01 -0.15 0.00 0.00 0.00 0.00 55.97 54.34 1hqm s LYS 299 Cb -0.11 -2.21 -0.06 0.00 0.00 0.00 0.00 37.83 35.45 1hqm s LYS 299 CO 0.47 -1.19 -0.11 -0.40 0.00 0.00 0.00 175.35 174.12 1hqm n ASP 300 N 3.46 -3.69 0.00 0.03 5.75 -1.26 -1.97 116.55 118.87 1hqm n ASP 300 Ca 0.11 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.22 1hqm n ASP 300 Cb 0.36 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 1hqm n ASP 300 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1hqm n GLU 301 N 0.39 4.99 -2.83 0.11 -0.58 -1.26 -4.72 120.64 116.74 1hqm n GLU 301 Ca 0.04 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.67 1hqm n GLU 301 Cb 0.54 -0.49 0.04 0.00 -0.57 0.00 0.00 31.44 30.96 1hqm n GLU 301 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hqm n VAL 302 N -0.12 -0.09 -0.05 2.62 0.31 -1.26 -4.84 118.33 114.89 1hqm n VAL 302 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 64.34 62.33 1hqm n VAL 302 Cb 0.00 0.98 0.00 0.00 -0.91 0.00 0.00 33.84 33.91 1hqm n VAL 302 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1hqm n PHE 303 N 1.14 0.00 0.00 3.52 3.01 -1.26 -4.81 117.46 119.06 1hqm n PHE 303 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1hqm n PHE 303 Cb 0.64 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.11 1hqm n PHE 303 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1hqm n LEU 304 N 0.00 1.50 0.23 4.37 0.00 -1.26 -4.36 117.00 117.48 1hqm n LEU 304 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.08 1hqm n LEU 304 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 43.42 43.96 1hqm n LEU 304 CO 0.00 0.25 0.91 -0.65 0.00 0.00 0.00 177.39 177.90 1hqm h PRO 305 N 0.00 0.00 -0.01 1.96 0.11 -1.91 2.59 132.00 134.74 1hqm h PRO 305 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1hqm h PRO 305 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1hqm h PRO 305 CO 0.00 0.18 -0.32 -2.37 -0.21 0.00 0.00 178.00 175.28 1hqm n THR 306 N -4.17 0.00 -0.07 -1.15 5.66 -1.26 -0.96 114.28 112.32 1hqm n THR 306 Ca -0.02 -0.13 -0.22 0.00 -3.05 0.00 0.00 64.05 60.62 1hqm n THR 306 Cb 0.25 0.50 -0.12 0.00 -1.55 0.00 0.00 70.33 69.41 1hqm n THR 306 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1hqm n LEU 307 N -0.65 2.38 0.00 1.09 7.94 0.39 -3.24 117.00 124.91 1hqm n LEU 307 Ca 0.11 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1hqm n LEU 307 Cb 0.36 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1hqm n LEU 307 CO 0.27 0.67 0.32 -1.14 -1.11 0.00 0.00 177.39 176.39 1hqm n ARG 308 N -3.82 0.00 0.27 1.96 0.63 0.84 -1.24 116.66 115.30 1hqm n ARG 308 Ca -0.38 0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1hqm n ARG 308 Cb 0.91 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.69 1hqm n ARG 308 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1hqm n TYR 309 N -1.03 0.00 0.00 -0.14 9.36 -0.14 -0.71 117.16 124.51 1hqm n TYR 309 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1hqm n TYR 309 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1hqm n TYR 309 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1hqm n LEU 310 N -2.19 2.24 -0.23 2.98 7.94 -0.37 -3.13 117.00 124.24 1hqm n LEU 310 Ca 0.00 0.13 0.12 0.00 -1.11 0.00 0.00 56.01 55.15 1hqm n LEU 310 Cb 0.89 -0.04 0.23 0.00 0.53 0.00 0.00 43.42 45.02 1hqm n LEU 310 CO 0.00 -0.04 0.57 0.49 -1.11 0.00 0.00 177.39 177.30 1hqm n PHE 311 N -0.63 0.49 -0.30 1.96 0.99 0.12 0.38 117.46 120.47 1hqm n PHE 311 Ca 0.00 0.82 0.13 0.00 -0.00 0.00 0.00 57.45 58.40 1hqm n PHE 311 Cb 0.00 -1.05 0.29 0.00 -1.00 0.00 0.00 39.48 37.72 1hqm n PHE 311 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1hqm h ALA 312 N 1.36 1.30 -0.50 4.37 0.00 -1.30 1.57 119.26 126.07 1hqm h ALA 312 Ca 0.44 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1hqm h ALA 312 Cb 0.96 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hqm h ALA 312 CO -0.62 -0.44 0.00 1.47 0.00 0.00 0.00 179.25 179.66 1hqm n LEU 313 N -5.18 5.12 -0.30 0.00 -0.00 1.23 0.55 117.00 118.42 1hqm n LEU 313 Ca 0.21 -2.60 0.05 0.00 -0.00 0.00 0.00 56.01 53.67 1hqm n LEU 313 Cb 0.67 -0.66 0.02 0.00 -0.00 0.00 0.00 43.42 43.45 1hqm n LEU 313 CO 0.08 0.58 0.30 0.41 -0.00 0.00 0.00 177.39 178.76 1hqm n THR 314 N 0.55 0.00 0.00 1.47 -1.04 0.53 -4.79 114.28 111.00 1hqm n THR 314 Ca 0.24 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1hqm n THR 314 Cb 1.07 1.15 0.00 0.00 -1.82 0.00 0.00 70.33 70.74 1hqm n THR 314 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hqm n ALA 315 N 0.12 0.00 -2.12 2.41 0.00 -0.85 -5.03 120.51 115.04 1hqm n ALA 315 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1hqm n ALA 315 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1hqm n ALA 315 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqm n GLY 316 N 0.00 2.30 0.11 0.00 0.00 0.19 -5.05 105.19 102.74 1hqm n GLY 316 Ca 0.00 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1hqm n GLY 316 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hqm n VAL 317 N 0.00 1.32 -1.49 1.61 0.31 -1.22 -4.75 118.33 114.11 1hqm n VAL 317 Ca 0.00 -0.65 -0.41 0.00 -0.01 0.00 0.00 64.34 63.27 1hqm n VAL 317 Cb 0.00 -0.94 -0.04 0.00 -0.91 0.00 0.00 33.84 31.95 1hqm n VAL 317 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1hqm n PRO 318 N -2.95 1.95 0.00 5.55 -0.04 -1.26 -4.81 135.00 133.44 1hqm n PRO 318 Ca -0.37 -2.19 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1hqm n PRO 318 Cb 1.02 -3.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1hqm n PRO 318 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqm n GLY 319 N 4.62 -1.73 3.63 0.55 0.00 -1.26 -3.99 105.19 107.01 1hqm n GLY 319 Ca 0.50 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 1hqm n GLY 319 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1hqm n HIS 320 N 0.00 -1.99 0.13 1.61 8.25 -1.26 -4.73 115.22 117.24 1hqm n HIS 320 Ca 0.00 0.70 0.07 0.00 -0.26 0.00 0.00 57.72 58.23 1hqm n HIS 320 Cb 0.00 -3.98 0.35 0.00 1.12 0.00 0.00 29.99 27.48 1hqm n HIS 320 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1hqm n GLU 321 N -4.07 0.09 0.00 -0.41 1.02 -1.26 -4.77 120.64 111.23 1hqm n GLU 321 Ca -0.19 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1hqm n GLU 321 Cb 0.64 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1hqm n GLU 321 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1hqm n VAL 322 N -1.97 0.00 -0.27 2.62 3.14 -1.26 -3.38 118.33 117.20 1hqm n VAL 322 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1hqm n VAL 322 Cb 0.20 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.98 1hqm n VAL 322 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hqm n ASP 323 N 0.00 0.00 0.14 6.55 9.92 -1.26 -3.58 116.55 128.32 1hqm n ASP 323 Ca 0.00 -0.14 0.16 0.00 -0.53 0.00 0.00 54.79 54.28 1hqm n ASP 323 Cb 0.00 0.00 0.51 0.00 -0.64 0.00 0.00 41.12 40.99 1hqm n ASP 323 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1hqm h ASP 324 N 0.00 0.00 0.00 -2.24 2.03 -1.89 -3.41 116.42 110.91 1hqm h ASP 324 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1hqm h ASP 324 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1hqm h ASP 324 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 179.24 180.51 1hqm n ILE 325 N -3.09 0.00 -1.04 4.15 -0.00 -1.26 -3.68 119.36 114.45 1hqm n ILE 325 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.82 1hqm n ILE 325 Cb 0.87 -0.39 0.00 0.00 -0.00 0.00 0.00 39.64 40.11 1hqm n ILE 325 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1hqm n ASP 326 N 0.82 -0.27 -4.72 7.28 8.00 -1.26 -4.77 116.55 121.63 1hqm n ASP 326 Ca 0.00 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 1hqm n ASP 326 Cb 0.16 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 1hqm n ASP 326 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1hqm s HIS 327 N -0.55 3.67 0.00 1.24 2.46 -1.24 -4.84 115.29 116.03 1hqm s HIS 327 Ca 0.00 1.62 -0.01 0.00 0.47 0.00 0.00 55.06 57.13 1hqm s HIS 327 Cb 0.00 -3.04 -0.07 0.00 -0.13 0.00 0.00 32.58 29.35 1hqm s HIS 327 CO 0.00 0.05 1.50 1.28 -2.47 0.00 0.00 174.74 175.10 1hqm n LEU 328 N 3.69 2.60 -0.11 8.88 4.32 -1.26 0.22 117.00 135.34 1hqm n LEU 328 Ca 0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 56.01 54.54 1hqm n LEU 328 Cb 0.51 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1hqm n LEU 328 CO 0.51 0.54 0.28 0.61 -1.22 0.00 0.00 177.39 178.11 1hqm n GLY 329 N 2.25 -1.43 0.00 -0.72 0.00 -1.26 -4.61 105.19 99.42 1hqm n GLY 329 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hqm n GLY 329 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqm n ASN 330 N -0.09 0.00 -4.02 1.61 3.02 0.59 -4.98 115.26 111.39 1hqm n ASN 330 Ca 0.01 -1.00 -0.31 0.00 -0.03 0.00 0.00 54.58 53.24 1hqm n ASN 330 Cb 0.52 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.54 1hqm n ASN 330 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1hqm s ARG 331 N 0.00 1.53 0.90 3.52 0.52 -1.01 0.28 118.95 124.70 1hqm s ARG 331 Ca 0.00 -1.82 -0.14 0.00 -0.52 0.00 0.00 55.73 53.25 1hqm s ARG 331 Cb 0.00 -3.16 0.15 0.00 0.52 0.00 0.00 34.95 32.45 1hqm s ARG 331 CO 0.00 -0.91 1.23 0.50 0.02 0.00 0.00 175.30 176.14 1hqm s ARG 332 N 0.93 1.16 -0.24 3.54 3.52 0.17 -4.38 118.95 123.66 1hqm s ARG 332 Ca 0.09 -0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.56 1hqm s ARG 332 Cb -0.19 -1.88 0.13 0.00 -1.56 0.00 0.00 34.95 31.45 1hqm s ARG 332 CO -0.08 -2.11 0.35 0.42 -0.81 0.00 0.00 175.30 173.07 1hqm s ILE 333 N -3.66 -0.55 -0.58 4.11 1.01 -1.26 -1.48 121.20 118.80 1hqm s ILE 333 Ca 0.68 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 61.00 1hqm s ILE 333 Cb -0.08 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.64 1hqm s ILE 333 CO 0.51 -0.15 0.90 -0.13 0.00 0.00 0.00 174.94 176.07 1hqm s ARG 334 N 2.50 3.23 0.52 2.79 0.52 -0.85 -4.83 118.95 122.83 1hqm s ARG 334 Ca 0.11 -0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 54.57 1hqm s ARG 334 Cb -0.15 -4.11 -0.06 0.00 0.52 0.00 0.00 34.95 31.15 1hqm s ARG 334 CO -0.16 -1.54 1.28 0.95 0.02 0.00 0.00 175.30 175.85 1hqm s THR 335 N 3.77 2.45 0.01 0.02 -4.23 -1.26 -3.94 115.64 112.46 1hqm s THR 335 Ca 0.25 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1hqm s THR 335 Cb -0.15 -3.17 -0.00 0.00 1.34 0.00 0.00 72.50 70.52 1hqm s THR 335 CO 0.15 -0.01 0.20 0.52 -0.54 0.00 0.00 174.62 174.94 1hqm n VAL 336 N -0.90 -0.04 -0.35 2.29 0.31 -1.26 0.24 118.33 118.62 1hqm n VAL 336 Ca 0.10 0.30 0.32 0.00 -0.01 0.00 0.00 64.34 65.05 1hqm n VAL 336 Cb 0.46 -0.39 0.57 0.00 -0.91 0.00 0.00 33.84 33.58 1hqm n VAL 336 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1hqm n GLY 337 N -1.02 -0.72 0.17 2.92 0.00 -1.26 0.33 105.19 105.62 1hqm n GLY 337 Ca 0.00 0.72 0.12 0.00 0.00 0.00 0.00 46.02 46.87 1hqm n GLY 337 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hqm h GLU 338 N 0.00 0.00 0.17 1.61 4.81 0.27 0.69 114.58 122.13 1hqm h GLU 338 Ca 0.79 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.69 1hqm h GLU 338 Cb 2.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.65 1hqm h GLU 338 CO -0.60 0.00 -1.65 -0.07 -0.73 0.00 0.00 179.01 175.96 1hqm h LEU 339 N 0.00 0.55 -0.52 1.64 4.07 0.57 -3.12 115.31 118.50 1hqm h LEU 339 Ca 0.00 -0.78 -0.16 0.00 0.08 0.00 0.00 57.88 57.02 1hqm h LEU 339 Cb 0.90 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.44 1hqm h LEU 339 CO 0.00 1.65 -0.74 -0.03 -1.08 0.00 0.00 178.44 178.24 1hqm h MET 340 N 0.10 0.04 0.73 1.13 -1.53 -0.88 -3.18 114.93 111.34 1hqm h MET 340 Ca -0.30 -0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 55.89 1hqm h MET 340 Cb 2.08 0.01 0.01 0.00 -0.55 0.00 0.00 31.60 33.14 1hqm h MET 340 CO 0.18 0.76 -0.35 0.00 0.14 0.00 0.00 176.91 177.64 1hqm h ALA 341 N 1.23 -0.98 -1.02 0.39 0.00 -0.94 -2.96 119.26 114.97 1hqm h ALA 341 Ca -0.01 -0.22 0.26 0.00 0.00 0.00 0.00 54.91 54.94 1hqm h ALA 341 Cb 1.30 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 19.35 1hqm h ALA 341 CO 0.10 -0.95 0.62 -0.44 0.00 0.00 0.00 179.25 178.58 1hqm h ASP 342 N -1.19 0.60 -0.67 0.00 3.32 -1.62 0.86 116.42 117.71 1hqm h ASP 342 Ca -0.10 0.13 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1hqm h ASP 342 Cb 0.77 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1hqm h ASP 342 CO 0.17 0.07 0.44 -0.61 -1.72 0.00 0.00 179.24 177.59 1hqm h GLN 343 N 0.50 0.75 -0.33 3.56 5.75 -1.51 0.72 115.11 124.55 1hqm h GLN 343 Ca 0.65 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.97 1hqm h GLN 343 Cb 1.37 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1hqm h GLN 343 CO -0.45 0.50 -0.33 0.35 -2.65 0.00 0.00 178.83 176.25 1hqm h PHE 344 N 0.78 0.97 0.00 3.99 -0.00 0.79 0.26 116.94 123.72 1hqm h PHE 344 Ca 0.27 -0.29 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1hqm h PHE 344 Cb 0.12 -0.20 0.00 0.00 -0.00 0.00 0.00 35.95 35.87 1hqm h PHE 344 CO -0.00 1.07 0.00 0.54 -0.00 0.00 0.00 178.31 179.92 1hqm n ARG 345 N -4.18 0.16 0.00 1.11 1.74 0.24 -1.55 116.66 114.18 1hqm n ARG 345 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1hqm n ARG 345 Cb 0.50 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 1hqm n ARG 345 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1hqm n VAL 346 N 0.60 0.00 -0.28 1.55 0.31 -0.53 -4.55 118.33 115.44 1hqm n VAL 346 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1hqm n VAL 346 Cb 0.06 -0.39 0.22 0.00 -0.91 0.00 0.00 33.84 32.81 1hqm n VAL 346 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1hqm h GLY 347 N 0.00 1.09 0.86 2.92 0.00 0.51 0.51 103.07 108.97 1hqm h GLY 347 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1hqm h GLY 347 CO 0.00 -0.31 0.05 1.41 0.00 0.00 0.00 176.54 177.69 1hqm h LEU 348 N 0.17 0.33 -1.86 3.11 4.07 -1.67 -1.61 115.31 117.85 1hqm h LEU 348 Ca 0.48 -0.23 0.43 0.00 0.08 0.00 0.00 57.88 58.64 1hqm h LEU 348 Cb 0.89 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.49 1hqm h LEU 348 CO -0.65 0.47 1.14 0.00 -1.08 0.00 0.00 178.44 178.33 1hqm h ALA 349 N 0.87 3.39 0.08 1.53 0.00 -0.22 0.56 119.26 125.47 1hqm h ALA 349 Ca 0.07 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1hqm h ALA 349 Cb 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1hqm h ALA 349 CO 0.00 -1.91 -1.90 0.54 0.00 0.00 0.00 179.25 175.99 1hqm n ARG 350 N -3.90 0.70 0.18 0.00 3.00 -0.77 -4.00 116.66 111.88 1hqm n ARG 350 Ca 0.33 0.32 -0.15 0.00 -0.01 0.00 0.00 57.85 58.34 1hqm n ARG 350 Cb 1.60 -1.69 -0.08 0.00 0.00 0.00 0.00 32.46 32.30 1hqm n ARG 350 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1hqm h LEU 351 N -0.23 -1.09 -1.52 0.55 5.85 0.89 -0.88 115.31 118.89 1hqm h LEU 351 Ca -0.43 0.11 0.44 0.00 0.84 0.00 0.00 57.88 58.84 1hqm h LEU 351 Cb 1.84 0.39 -0.12 0.00 0.37 0.00 0.00 40.66 43.14 1hqm h LEU 351 CO -0.02 -0.50 0.93 0.00 -0.34 0.00 0.00 178.44 178.51 1hqm h ALA 352 N -0.26 2.90 0.41 1.25 0.00 -0.65 0.98 119.26 123.90 1hqm h ALA 352 Ca -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1hqm h ALA 352 Cb 0.68 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1hqm h ALA 352 CO -0.14 -1.50 -0.20 0.00 0.00 0.00 0.00 179.25 177.41 1hqm h ARG 353 N 0.08 -0.54 -0.70 0.00 2.47 -1.33 -0.46 114.38 113.90 1hqm h ARG 353 Ca 0.82 0.04 0.20 0.00 -1.26 0.00 0.00 59.98 59.78 1hqm h ARG 353 Cb 2.70 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 31.11 1hqm h ARG 353 CO -0.34 -0.29 0.50 0.78 0.56 0.00 0.00 179.97 181.19 1hqm h GLY 354 N -1.09 0.00 0.13 0.04 0.00 0.14 -0.24 103.07 102.05 1hqm h GLY 354 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1hqm h GLY 354 CO 0.09 0.00 -0.05 -0.24 0.00 0.00 0.00 176.54 176.35 1hqm h VAL 355 N 0.00 0.46 -1.03 4.60 3.04 0.66 -2.52 116.25 121.45 1hqm h VAL 355 Ca 0.33 -1.19 0.26 0.00 -1.01 0.00 0.00 66.70 65.09 1hqm h VAL 355 Cb 1.33 0.83 -0.10 0.00 -2.01 0.00 0.00 31.29 31.34 1hqm h VAL 355 CO -0.00 0.14 0.65 -0.09 -1.01 0.00 0.00 177.57 177.26 1hqm h ARG 356 N -1.00 0.44 -0.05 4.17 9.65 -0.51 -0.33 114.38 126.75 1hqm h ARG 356 Ca -0.01 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 1hqm h ARG 356 Cb 0.33 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1hqm h ARG 356 CO 0.02 0.29 -0.04 1.49 2.80 0.00 0.00 179.97 184.54 1hqm h GLU 357 N 0.45 0.11 0.00 0.20 4.57 -1.12 -3.00 114.58 115.79 1hqm h GLU 357 Ca 0.61 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.71 1hqm h GLU 357 Cb 1.42 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.01 1hqm h GLU 357 CO -0.35 0.54 -0.11 0.00 -1.18 0.00 0.00 179.01 177.91 1hqm h ARG 358 N -0.32 0.00 -0.01 1.92 2.47 -0.88 -3.11 114.38 114.44 1hqm h ARG 358 Ca 0.01 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1hqm h ARG 358 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 1hqm h ARG 358 CO 0.01 0.11 -0.16 0.52 0.56 0.00 0.00 179.97 181.01 1hqm h MET 359 N 0.00 -0.18 0.00 0.04 2.86 -0.94 -3.32 114.93 113.39 1hqm h MET 359 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1hqm h MET 359 Cb 0.38 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1hqm h MET 359 CO 0.01 -0.12 0.00 0.28 1.06 0.00 0.00 176.91 178.14 1hqm n VAL 360 N -3.38 0.00 0.00 -2.22 0.31 -1.17 -4.30 118.33 107.56 1hqm n VAL 360 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1hqm n VAL 360 Cb 0.11 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1hqm n VAL 360 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1hqm n MET 361 N 0.00 0.00 -0.88 5.55 2.00 -1.25 -4.53 117.12 118.00 1hqm n MET 361 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 1hqm n MET 361 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.25 1hqm n MET 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1hqm n GLY 362 N 0.00 -3.91 3.69 3.03 0.00 -1.25 -4.82 105.19 101.93 1hqm n GLY 362 Ca 0.00 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 1hqm n GLY 362 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1hqm n SER 363 N 3.08 3.74 0.22 1.61 2.88 -1.26 -4.76 113.62 119.13 1hqm n SER 363 Ca -0.02 1.03 0.15 0.00 -1.33 0.00 0.00 58.87 58.70 1hqm n SER 363 Cb 0.52 -1.51 0.75 0.00 -0.75 0.00 0.00 64.21 63.22 1hqm n SER 363 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1hqm h PRO 364 N 7.51 0.00 0.00 -1.46 0.13 -1.87 2.43 132.00 138.73 1hqm h PRO 364 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1hqm h PRO 364 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1hqm h PRO 364 CO 0.94 0.00 -1.88 -3.47 -0.23 0.00 0.00 178.00 173.36 1hqm n ASP 365 N -2.59 0.12 -0.05 1.44 -0.08 -1.26 -4.34 116.55 109.79 1hqm n ASP 365 Ca -0.01 0.05 -0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1hqm n ASP 365 Cb 0.12 1.76 -0.13 0.00 2.34 0.00 0.00 41.12 45.21 1hqm n ASP 365 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1hqm n THR 366 N -2.33 0.61 -1.79 5.18 -1.04 -0.47 -4.83 114.28 109.61 1hqm n THR 366 Ca -0.04 -0.57 -0.20 0.00 -2.04 0.00 0.00 64.05 61.20 1hqm n THR 366 Cb 0.58 -0.26 -0.09 0.00 -1.82 0.00 0.00 70.33 68.75 1hqm n THR 366 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1hqm s LEU 367 N -4.77 2.70 0.36 -4.42 1.98 0.81 -4.90 118.68 110.44 1hqm s LEU 367 Ca -0.07 -1.09 0.08 0.00 -2.89 0.00 0.00 54.13 50.16 1hqm s LEU 367 Cb 0.08 -2.59 -0.03 0.00 0.66 0.00 0.00 46.19 44.31 1hqm s LEU 367 CO 0.71 -3.97 0.24 0.42 -1.89 0.00 0.00 176.35 171.86 1hqm s THR 368 N 14.30 3.07 1.04 3.68 -4.23 -1.26 -4.93 115.64 127.31 1hqm s THR 368 Ca 0.77 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1hqm s THR 368 Cb -0.04 -3.05 0.25 0.00 1.34 0.00 0.00 72.50 70.99 1hqm s THR 368 CO 0.14 -0.13 1.10 -0.81 -0.54 0.00 0.00 174.62 174.38 1hqm n PRO 369 N -1.31 -2.25 -0.54 3.99 -0.04 -1.26 -1.34 135.00 132.26 1hqm n PRO 369 Ca -0.01 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1hqm n PRO 369 Cb 0.61 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1hqm n PRO 369 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hqm n ALA 370 N -4.34 0.00 0.00 0.55 0.00 -1.26 -3.97 120.51 111.49 1hqm n ALA 370 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1hqm n ALA 370 Cb 0.54 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1hqm n ALA 370 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hqm n LYS 371 N -2.00 3.04 -0.01 0.00 5.02 -1.18 -4.72 118.16 118.31 1hqm n LYS 371 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 1hqm n LYS 371 Cb 0.00 -0.27 -0.12 0.00 -0.02 0.00 0.00 35.03 34.63 1hqm n LYS 371 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1hqm n LEU 372 N -0.04 0.14 -4.37 -0.35 0.00 -0.45 -4.89 117.00 107.05 1hqm n LEU 372 Ca 0.00 -0.10 -0.38 0.00 0.00 0.00 0.00 56.01 55.54 1hqm n LEU 372 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.30 1hqm n LEU 372 CO 0.00 0.04 -0.26 -0.69 0.00 0.00 0.00 177.39 176.48 1hqm s VAL 373 N -2.99 4.12 -0.58 1.96 1.01 -1.26 -4.38 120.40 118.28 1hqm s VAL 373 Ca -0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1hqm s VAL 373 Cb 0.11 -3.11 0.15 0.00 0.00 0.00 0.00 36.38 33.52 1hqm s VAL 373 CO 0.66 0.09 0.41 0.20 0.00 0.00 0.00 175.10 176.46 1hqm s ASN 374 N 1.53 5.48 0.00 3.32 0.01 -1.26 -4.61 114.94 119.41 1hqm s ASN 374 Ca 0.03 -2.53 -0.06 0.00 -0.71 0.00 0.00 52.86 49.59 1hqm s ASN 374 Cb -0.17 -1.91 -0.07 0.00 0.41 0.00 0.00 41.25 39.51 1hqm s ASN 374 CO 0.03 -0.48 0.80 -1.20 -1.51 0.00 0.00 177.10 174.75 1hqm n SER 375 N 3.97 0.08 -0.02 -1.22 7.64 -1.26 -4.10 113.62 118.71 1hqm n SER 375 Ca 0.04 -1.54 -0.03 0.00 1.01 0.00 0.00 58.87 58.35 1hqm n SER 375 Cb 0.40 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1hqm n SER 375 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1hqm n ARG 376 N 4.76 1.46 0.36 1.43 5.12 -1.26 -4.67 116.66 123.85 1hqm n ARG 376 Ca 0.09 0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.87 1hqm n ARG 376 Cb 0.11 -1.10 -0.07 0.00 -1.16 0.00 0.00 32.46 30.24 1hqm n ARG 376 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1hqm h PRO 377 N 0.00 -0.91 -0.26 5.56 0.13 -1.84 -3.11 132.00 131.57 1hqm h PRO 377 Ca -0.11 0.06 0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1hqm h PRO 377 Cb 1.20 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1hqm h PRO 377 CO -0.01 -0.59 0.42 -0.07 -0.23 0.00 0.00 178.00 177.52 1hqm h LEU 378 N -1.22 0.00 0.00 1.56 4.07 -1.88 -3.23 115.31 114.61 1hqm h LEU 378 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1hqm h LEU 378 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 1hqm h LEU 378 CO 0.16 0.00 0.00 1.21 -1.08 0.00 0.00 178.44 178.73 1hqm n GLU 379 N -3.38 3.44 0.00 1.13 4.07 -1.18 -3.83 120.64 120.88 1hqm n GLU 379 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.14 1hqm n GLU 379 Cb 0.54 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1hqm n GLU 379 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hqm n ALA 380 N -3.00 0.00 -0.03 4.31 0.00 -1.22 0.30 120.51 120.87 1hqm n ALA 380 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 1hqm n ALA 380 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.92 1hqm n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqm h ALA 381 N 0.00 2.52 0.03 0.00 0.00 -1.80 2.50 119.26 122.52 1hqm h ALA 381 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 1hqm h ALA 381 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1hqm h ALA 381 CO 0.00 -1.30 -1.77 -0.11 0.00 0.00 0.00 179.25 176.07 1hqm n LEU 382 N -3.20 2.16 0.00 0.00 7.94 0.15 -3.19 117.00 120.86 1hqm n LEU 382 Ca 0.14 0.31 0.14 0.00 -1.11 0.00 0.00 56.01 55.49 1hqm n LEU 382 Cb 1.17 -0.98 0.78 0.00 0.53 0.00 0.00 43.42 44.92 1hqm n LEU 382 CO 0.20 0.53 0.99 -1.14 -1.11 0.00 0.00 177.39 176.85 1hqm n ARG 383 N -4.07 0.70 -0.03 1.96 0.63 0.20 -2.20 116.66 113.85 1hqm n ARG 383 Ca -0.37 0.01 -0.11 0.00 -0.92 0.00 0.00 57.85 56.46 1hqm n ARG 383 Cb 0.84 -1.50 -0.09 0.00 0.45 0.00 0.00 32.46 32.15 1hqm n ARG 383 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1hqm h GLU 384 N 0.00 -0.05 0.00 -0.14 4.57 0.41 -3.35 114.58 116.02 1hqm h GLU 384 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1hqm h GLU 384 Cb 0.09 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1hqm h GLU 384 CO 0.00 0.61 0.00 0.34 -1.18 0.00 0.00 179.01 178.78 1hqm n PHE 385 N -4.73 0.00 -0.26 0.92 7.35 -0.94 -3.32 117.46 116.49 1hqm n PHE 385 Ca -0.08 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.83 1hqm n PHE 385 Cb 0.33 -0.13 0.37 0.00 0.35 0.00 0.00 39.48 40.40 1hqm n PHE 385 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1hqm n PHE 386 N -1.10 0.35 -3.22 -5.13 3.01 -1.22 -1.52 117.46 108.64 1hqm n PHE 386 Ca 0.00 0.36 -0.24 0.00 1.01 0.00 0.00 57.45 58.57 1hqm n PHE 386 Cb 0.00 -0.73 -0.06 0.00 -0.01 0.00 0.00 39.48 38.68 1hqm n PHE 386 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1hqm n SER 387 N -3.69 2.22 0.00 4.37 2.88 -1.21 -4.71 113.62 113.48 1hqm n SER 387 Ca 0.22 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1hqm n SER 387 Cb 0.85 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1hqm n SER 387 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1hqm n ARG 388 N 0.73 0.00 -5.12 -1.46 1.74 -0.58 -4.93 116.66 107.05 1hqm n ARG 388 Ca 0.26 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.03 1hqm n ARG 388 Cb 0.49 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.76 1hqm n ARG 388 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1hqm s SER 389 N 0.00 2.95 0.00 0.55 0.15 -1.15 -4.89 113.70 111.31 1hqm s SER 389 Ca 0.00 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1hqm s SER 389 Cb 0.00 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1hqm s SER 389 CO 0.00 0.14 0.64 1.67 1.20 0.00 0.00 173.24 176.89 1hqm n GLN 390 N 3.58 0.00 -0.01 5.44 7.27 -1.26 0.14 117.38 132.55 1hqm n GLN 390 Ca -0.19 0.21 0.07 0.00 0.07 0.00 0.00 57.00 57.15 1hqm n GLN 390 Cb 0.53 -1.63 -0.10 0.00 2.41 0.00 0.00 30.24 31.45 1hqm n GLN 390 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1hqm n LEU 391 N -1.14 0.03 -4.72 1.69 4.32 -1.26 -4.90 117.00 111.02 1hqm n LEU 391 Ca 0.00 -0.02 -0.37 0.00 -0.02 0.00 0.00 56.01 55.60 1hqm n LEU 391 Cb 0.13 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.86 1hqm n LEU 391 CO 0.00 0.01 0.08 -0.94 -1.22 0.00 0.00 177.39 175.32 1hqm s SER 392 N -3.48 6.55 0.17 -1.43 1.04 0.37 -2.49 113.70 114.43 1hqm s SER 392 Ca -0.04 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1hqm s SER 392 Cb 0.09 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.93 1hqm s SER 392 CO 0.55 0.04 0.04 0.00 0.98 0.00 0.00 173.24 174.85 1hqm s GLN 393 N 0.63 1.08 0.00 4.02 -2.07 -0.45 -4.51 119.66 118.35 1hqm s GLN 393 Ca 0.21 -1.53 0.00 0.00 -1.82 0.00 0.00 55.36 52.22 1hqm s GLN 393 Cb -0.14 -0.02 0.00 0.00 -1.09 0.00 0.00 33.01 31.76 1hqm s GLN 393 CO 0.07 -0.22 0.00 0.34 -1.32 0.00 0.00 175.29 174.16 1hqm n PHE 394 N -0.21 0.00 0.00 9.60 7.35 -1.26 0.13 117.46 133.07 1hqm n PHE 394 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 1hqm n PHE 394 Cb 0.64 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.47 1hqm n PHE 394 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1hqm n LYS 395 N 0.00 0.00 -1.81 -4.13 4.81 -1.26 -2.56 118.16 113.22 1hqm n LYS 395 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1hqm n LYS 395 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1hqm n LYS 395 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1hqm s ASP 396 N 0.00 5.30 0.00 3.14 1.01 -1.26 -4.75 116.67 120.10 1hqm s ASP 396 Ca 0.00 1.19 0.02 0.00 0.71 0.00 0.00 52.55 54.47 1hqm s ASP 396 Cb 0.00 -2.52 0.06 0.00 1.01 0.00 0.00 42.92 41.48 1hqm s ASP 396 CO 0.00 -2.20 1.05 -0.62 0.21 0.00 0.00 175.17 173.61 1hqm n GLU 397 N 8.81 2.92 0.00 8.23 1.02 -1.26 0.18 120.64 140.54 1hqm n GLU 397 Ca 0.27 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 1hqm n GLU 397 Cb 0.49 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1hqm n GLU 397 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1hqm n THR 398 N -0.28 0.00 -4.20 2.62 -1.04 -1.26 -4.54 114.28 105.58 1hqm n THR 398 Ca 0.02 1.05 -0.31 0.00 -2.04 0.00 0.00 64.05 62.77 1hqm n THR 398 Cb 0.28 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 66.98 1hqm n THR 398 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1hqm s ASN 399 N -2.64 5.06 0.35 8.00 6.03 -1.26 -4.58 114.94 125.91 1hqm s ASN 399 Ca 0.00 -0.11 0.16 0.00 -1.03 0.00 0.00 52.86 51.88 1hqm s ASN 399 Cb 0.00 -1.25 1.11 0.00 -3.03 0.00 0.00 41.25 38.07 1hqm s ASN 399 CO 0.00 0.22 1.67 1.55 -2.03 0.00 0.00 177.10 178.51 1hqm h PRO 400 N 3.81 0.31 -0.75 3.55 0.13 -1.93 0.26 132.00 137.38 1hqm h PRO 400 Ca -0.48 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 64.80 1hqm h PRO 400 Cb 1.17 -0.07 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1hqm h PRO 400 CO 0.59 0.21 0.14 1.25 -0.23 0.00 0.00 178.00 179.96 1hqm h LEU 401 N 0.32 -0.07 0.00 1.56 5.85 -1.92 -2.82 115.31 118.22 1hqm h LEU 401 Ca 0.73 0.16 0.00 0.00 0.84 0.00 0.00 57.88 59.61 1hqm h LEU 401 Cb 1.71 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1hqm h LEU 401 CO -0.57 -0.09 0.00 -1.20 -0.34 0.00 0.00 178.44 176.24 1hqm n SER 402 N -5.21 0.00 0.00 1.25 7.64 0.92 0.91 113.62 119.13 1hqm n SER 402 Ca 0.15 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1hqm n SER 402 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1hqm n SER 402 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1hqm n SER 403 N -0.35 0.00 -0.28 6.43 2.88 0.47 0.12 113.62 122.89 1hqm n SER 403 Ca 0.00 0.21 0.06 0.00 -1.33 0.00 0.00 58.87 57.81 1hqm n SER 403 Cb 0.00 -0.04 0.13 0.00 -0.75 0.00 0.00 64.21 63.56 1hqm n SER 403 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1hqm n LEU 404 N -1.03 -0.24 -0.00 2.46 7.94 -1.09 0.43 117.00 125.46 1hqm n LEU 404 Ca 0.00 1.34 -0.11 0.00 -1.11 0.00 0.00 56.01 56.13 1hqm n LEU 404 Cb 0.00 -0.42 -0.05 0.00 0.53 0.00 0.00 43.42 43.48 1hqm n LEU 404 CO 0.00 -1.30 0.89 -0.09 -1.11 0.00 0.00 177.39 175.78 1hqm h ARG 405 N 0.00 0.07 0.00 1.96 2.43 0.76 -2.60 114.38 117.01 1hqm h ARG 405 Ca 0.39 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1hqm h ARG 405 Cb 0.65 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1hqm h ARG 405 CO -0.79 0.05 0.14 1.25 -1.51 0.00 0.00 179.97 179.11 1hqm h HIS 406 N 0.08 0.00 0.00 2.20 2.76 0.24 -0.66 115.15 119.76 1hqm h HIS 406 Ca 0.04 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.94 1hqm h HIS 406 Cb 0.03 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 1hqm h HIS 406 CO -0.10 0.00 -1.57 0.87 -1.30 0.00 0.00 177.93 175.82 1hqm h LYS 407 N 0.00 0.00 0.00 5.26 1.57 -1.28 -3.27 116.57 118.85 1hqm h LYS 407 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hqm h LYS 407 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1hqm h LYS 407 CO 0.00 0.55 0.00 0.54 -0.57 0.00 0.00 179.45 179.97 1hqm n ARG 408 N -3.08 0.20 -1.63 3.15 5.12 -0.29 -4.75 116.66 115.38 1hqm n ARG 408 Ca -0.14 0.25 -0.34 0.00 -1.93 0.00 0.00 57.85 55.70 1hqm n ARG 408 Cb 1.02 -1.77 0.07 0.00 -1.16 0.00 0.00 32.46 30.61 1hqm n ARG 408 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1hqm s ARG 409 N -3.15 2.51 -0.17 5.56 3.52 -0.99 -2.31 118.95 123.92 1hqm s ARG 409 Ca 0.09 1.59 -0.02 0.00 -0.13 0.00 0.00 55.73 57.27 1hqm s ARG 409 Cb 0.12 -1.90 0.05 0.00 -1.56 0.00 0.00 34.95 31.66 1hqm s ARG 409 CO 0.51 -1.52 -0.01 0.42 -0.81 0.00 0.00 175.30 173.90 1hqm s ILE 410 N -2.12 0.77 0.22 4.11 1.01 0.10 -4.05 121.20 121.24 1hqm s ILE 410 Ca 0.71 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 1hqm s ILE 410 Cb -0.25 -1.10 -0.07 0.00 0.01 0.00 0.00 42.46 41.05 1hqm s ILE 410 CO 0.42 -0.02 0.55 -0.55 0.00 0.00 0.00 174.94 175.34 1hqm s SER 411 N 1.76 6.65 0.00 3.58 0.15 -0.47 -1.97 113.70 123.40 1hqm s SER 411 Ca 0.00 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1hqm s SER 411 Cb -0.16 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1hqm s SER 411 CO -0.07 -0.05 0.27 0.00 1.20 0.00 0.00 173.24 174.59 1hqm n ALA 412 N -0.01 1.73 0.39 5.45 0.00 -0.72 -1.61 120.51 125.74 1hqm n ALA 412 Ca -0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 1hqm n ALA 412 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 1hqm n ALA 412 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hqm n LEU 413 N -0.19 3.69 -4.39 0.00 4.77 -1.24 -4.16 117.00 115.48 1hqm n LEU 413 Ca 0.00 -1.90 -0.31 0.00 -0.03 0.00 0.00 56.01 53.77 1hqm n LEU 413 Cb 0.05 -0.59 0.19 0.00 -2.33 0.00 0.00 43.42 40.75 1hqm n LEU 413 CO 0.00 0.59 -0.05 0.61 -1.33 0.00 0.00 177.39 177.21 1hqm n GLY 414 N 0.07 -2.12 1.41 -0.72 0.00 -1.26 -4.88 105.19 97.69 1hqm n GLY 414 Ca 0.15 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.37 1hqm n GLY 414 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hqm n PRO 415 N -3.09 3.11 0.00 1.61 -0.04 -1.26 -4.72 135.00 130.62 1hqm n PRO 415 Ca 0.03 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1hqm n PRO 415 Cb 0.58 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1hqm n PRO 415 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqm n GLY 416 N 1.35 -3.37 3.70 0.55 0.00 -1.26 -4.87 105.19 101.29 1hqm n GLY 416 Ca 0.24 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1hqm n GLY 416 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqm s GLY 417 N -0.85 2.55 -1.50 -0.02 0.00 -1.26 -3.53 107.32 102.71 1hqm s GLY 417 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 1hqm s GLY 417 CO 0.00 1.42 0.00 -0.10 0.00 0.00 0.00 173.10 174.42 1hqm n LEU 418 N 4.19 -0.93 -4.55 0.66 7.94 -1.26 -4.84 117.00 118.20 1hqm n LEU 418 Ca 0.02 0.35 -0.38 0.00 -1.11 0.00 0.00 56.01 54.89 1hqm n LEU 418 Cb 0.51 -2.28 -0.03 0.00 0.53 0.00 0.00 43.42 42.14 1hqm n LEU 418 CO 0.48 -0.83 1.50 -0.89 -1.11 0.00 0.00 177.39 176.54 1hqm s THR 419 N -2.17 3.45 0.00 1.96 2.01 -1.23 -4.83 115.64 114.83 1hqm s THR 419 Ca 0.00 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1hqm s THR 419 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1hqm s THR 419 CO 0.00 -1.13 0.00 0.54 -0.69 0.00 0.00 174.62 173.34 1hqm n ARG 420 N 9.20 0.00 -1.96 4.92 5.12 -1.26 -4.71 116.66 127.97 1hqm n ARG 420 Ca 0.19 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.82 1hqm n ARG 420 Cb 0.51 0.00 0.12 0.00 -1.16 0.00 0.00 32.46 31.93 1hqm n ARG 420 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1hqm s GLU 421 N 0.00 1.53 0.60 5.56 -1.05 -1.26 -4.51 118.70 119.56 1hqm s GLU 421 Ca 0.00 -0.14 0.30 0.00 -0.15 0.00 0.00 54.97 54.98 1hqm s GLU 421 Cb 0.00 -1.95 1.05 0.00 -0.44 0.00 0.00 34.13 32.79 1hqm s GLU 421 CO 0.00 -1.84 1.36 0.07 0.95 0.00 0.00 175.26 175.81 1hqm h ARG 422 N -1.20 0.00 0.00 -4.83 0.11 -1.96 0.31 114.38 106.82 1hqm h ARG 422 Ca -0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.56 1hqm h ARG 422 Cb 1.29 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.25 1hqm h ARG 422 CO 0.55 0.00 -0.47 0.00 0.10 0.00 0.00 179.97 180.15 1hqm n ALA 423 N -2.33 2.46 -0.97 0.08 0.00 -1.26 -5.05 120.51 113.44 1hqm n ALA 423 Ca 0.25 -1.03 -0.34 0.00 0.00 0.00 0.00 53.44 52.32 1hqm n ALA 423 Cb 1.55 -0.40 0.04 0.00 0.00 0.00 0.00 19.45 20.64 1hqm n ALA 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqm n GLY 424 N 0.13 -4.30 3.52 0.00 0.00 0.11 -4.56 105.19 100.08 1hqm n GLY 424 Ca -0.04 -0.71 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 1hqm n GLY 424 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1hqm n PHE 425 N -2.28 0.77 0.00 1.61 7.35 -1.26 -3.52 117.46 120.13 1hqm n PHE 425 Ca -0.01 -0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 1hqm n PHE 425 Cb 0.52 -1.95 0.00 0.00 0.35 0.00 0.00 39.48 38.40 1hqm n PHE 425 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1hqm n ASP 426 N 14.69 0.00 0.03 -2.13 5.75 -1.26 -5.03 116.55 128.59 1hqm n ASP 426 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1hqm n ASP 426 Cb 0.36 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1hqm n ASP 426 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1hqm n VAL 427 N 0.32 0.22 0.31 2.12 0.31 -1.23 -4.72 118.33 115.65 1hqm n VAL 427 Ca 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1hqm n VAL 427 Cb 0.00 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1hqm n VAL 427 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1hqm n ARG 428 N -2.81 0.31 -0.00 5.55 1.74 -1.26 -2.01 116.66 118.17 1hqm n ARG 428 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1hqm n ARG 428 Cb 0.00 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1hqm n ARG 428 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1hqm n ASP 429 N 0.53 1.24 -0.06 0.55 9.92 -1.26 -4.80 116.55 122.67 1hqm n ASP 429 Ca 0.00 0.18 -0.04 0.00 -0.53 0.00 0.00 54.79 54.40 1hqm n ASP 429 Cb 0.11 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 1hqm n ASP 429 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1hqm h VAL 430 N -0.31 0.00 0.00 2.53 2.07 -1.69 -3.12 116.25 115.73 1hqm h VAL 430 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1hqm h VAL 430 Cb 0.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1hqm h VAL 430 CO -0.02 0.00 0.00 1.41 0.02 0.00 0.00 177.57 178.98 1hqm n HIS 431 N -3.58 0.00 -0.96 1.57 8.25 -1.21 -4.61 115.22 114.68 1hqm n HIS 431 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 1hqm n HIS 431 Cb 0.11 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.03 1hqm n HIS 431 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1hqm n ARG 432 N -1.91 0.00 -1.51 -0.41 1.74 -1.18 -4.75 116.66 108.64 1hqm n ARG 432 Ca 0.00 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.60 1hqm n ARG 432 Cb 0.00 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.64 1hqm n ARG 432 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1hqm n THR 433 N -0.77 0.27 -2.09 0.55 -1.04 -1.26 -4.90 114.28 105.04 1hqm n THR 433 Ca 0.08 -0.31 -0.42 0.00 -2.04 0.00 0.00 64.05 61.36 1hqm n THR 433 Cb 0.30 -1.96 -0.03 0.00 -1.82 0.00 0.00 70.33 66.82 1hqm n THR 433 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1hqm s HIS 434 N 7.40 2.68 -1.25 -1.42 -3.43 -1.26 -4.78 115.29 113.23 1hqm s HIS 434 Ca 1.05 0.60 0.00 0.00 -0.80 0.00 0.00 55.06 55.92 1hqm s HIS 434 Cb -0.68 -3.80 0.00 0.00 -1.43 0.00 0.00 32.58 26.68 1hqm s HIS 434 CO 0.45 -3.08 0.15 2.48 -2.00 0.00 0.00 174.74 172.74 1hqm n TYR 435 N 5.42 0.00 -3.20 0.38 0.18 -1.26 -4.35 117.16 114.33 1hqm n TYR 435 Ca 0.14 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.51 1hqm n TYR 435 Cb 0.42 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.31 1hqm n TYR 435 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1hqm s GLY 436 N -1.43 1.80 -0.95 -7.48 0.00 -1.26 -5.02 107.32 92.98 1hqm s GLY 436 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.75 1hqm s GLY 436 CO 0.00 1.33 0.93 1.09 0.00 0.00 0.00 173.10 176.45 1hqm s ARG 437 N 2.47 3.84 -0.31 2.90 1.70 -1.26 -4.52 118.95 123.77 1hqm s ARG 437 Ca 0.21 -2.72 0.03 0.00 -0.47 0.00 0.00 55.73 52.79 1hqm s ARG 437 Cb -0.15 -4.51 0.26 0.00 -0.57 0.00 0.00 34.95 29.97 1hqm s ARG 437 CO 0.12 -1.31 1.34 0.44 -1.08 0.00 0.00 175.30 174.82 1hqm n ILE 438 N 3.58 0.00 0.00 4.99 -5.35 -1.26 -4.72 119.36 116.60 1hqm n ILE 438 Ca 0.19 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1hqm n ILE 438 Cb 0.44 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 1hqm n ILE 438 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1hqm n PRO 440 N 0.00 0.00 0.00 0.00 -0.01 -1.18 -4.75 135.00 129.05 1hqm n PRO 440 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 63.50 63.53 1hqm n PRO 440 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 33.50 33.47 1hqm n PRO 440 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1hqm n VAL 441 N 0.00 0.00 -2.28 -1.45 0.24 -1.26 -4.71 118.33 108.86 1hqm n VAL 441 Ca 0.00 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.34 61.73 1hqm n VAL 441 Cb 0.00 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.45 1hqm n VAL 441 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1hqm n GLU 442 N -0.60 3.08 -0.02 7.34 0.28 -1.26 -4.92 120.64 124.53 1hqm n GLU 442 Ca 0.03 -4.03 -0.05 0.00 -0.16 0.00 0.00 57.16 52.95 1hqm n GLU 442 Cb 0.15 -2.09 -0.02 0.00 1.43 0.00 0.00 31.44 30.92 1hqm n GLU 442 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1hqm n THR 443 N -0.63 1.38 -0.09 3.84 -1.04 -1.26 -4.11 114.28 112.36 1hqm n THR 443 Ca 0.34 0.27 -0.01 0.00 -2.04 0.00 0.00 64.05 62.60 1hqm n THR 443 Cb 0.89 -1.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 1hqm n THR 443 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1hqm n PRO 444 N -4.01 0.00 0.00 -2.82 -0.02 -1.26 -4.64 135.00 122.26 1hqm n PRO 444 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1hqm n PRO 444 Cb 0.28 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 1hqm n PRO 444 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1hqm n GLU 445 N 0.24 0.00 -4.11 -0.52 -0.58 -1.26 -4.95 120.64 109.47 1hqm n GLU 445 Ca -0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1hqm n GLU 445 Cb 0.02 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.74 1hqm n GLU 445 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1hqm s GLY 446 N 0.00 0.30 0.00 0.62 0.00 -1.26 -4.58 107.32 102.40 1hqm s GLY 446 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1hqm s GLY 446 CO 0.00 0.15 0.00 0.00 0.00 0.00 0.00 173.10 173.25 1hqm n ALA 447 N 3.50 0.00 -0.76 3.20 0.00 -1.26 -4.53 120.51 120.66 1hqm n ALA 447 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.33 1hqm n ALA 447 Cb 0.54 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.30 1hqm n ALA 447 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1hqm n ASN 448 N 1.26 4.45 -2.91 0.00 2.85 -1.26 -4.98 115.26 114.68 1hqm n ASN 448 Ca 0.00 -2.70 -0.01 0.00 -0.11 0.00 0.00 54.58 51.76 1hqm n ASN 448 Cb 0.00 -0.55 -0.01 0.00 1.24 0.00 0.00 39.78 40.47 1hqm n ASN 448 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1hqm n ILE 449 N 0.36 0.00 0.00 -1.44 2.08 -1.26 -1.54 119.36 117.55 1hqm n ILE 449 Ca 0.23 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1hqm n ILE 449 Cb 0.90 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.79 1hqm n ILE 449 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hqm n GLY 450 N 3.29 1.93 0.36 7.39 0.00 -1.26 -4.65 105.19 112.25 1hqm n GLY 450 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 1hqm n GLY 450 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1hqm n LEU 451 N 0.00 1.06 -3.44 0.99 4.77 -0.59 -4.44 117.00 115.35 1hqm n LEU 451 Ca 0.00 -0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 1hqm n LEU 451 Cb 0.00 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1hqm n LEU 451 CO 0.00 0.24 -0.19 -0.63 -1.33 0.00 0.00 177.39 175.48 1hqm s ILE 452 N -1.81 -0.37 0.45 -0.08 1.01 -1.25 -1.76 121.20 117.39 1hqm s ILE 452 Ca 0.24 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.61 1hqm s ILE 452 Cb 0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1hqm s ILE 452 CO 0.19 -0.36 0.09 0.28 0.00 0.00 0.00 174.94 175.13 1hqm s THR 453 N 2.34 1.84 0.16 2.92 -1.32 -0.83 -4.49 115.64 116.26 1hqm s THR 453 Ca 0.09 -1.87 0.09 0.00 -1.21 0.00 0.00 61.69 58.79 1hqm s THR 453 Cb -0.15 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.09 1hqm s THR 453 CO -0.24 0.00 -0.11 -0.55 -2.21 0.00 0.00 174.62 171.51 1hqm s SER 454 N -3.86 4.20 -0.02 8.08 0.15 -1.26 0.02 113.70 121.01 1hqm s SER 454 Ca 0.29 -0.56 -0.02 0.00 0.70 0.00 0.00 55.95 56.36 1hqm s SER 454 Cb 0.05 -0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 63.62 1hqm s SER 454 CO 0.16 0.12 0.15 -1.48 1.20 0.00 0.00 173.24 173.39 1hqm s LEU 455 N -2.65 4.22 1.01 3.45 0.05 -0.98 -3.11 118.68 120.67 1hqm s LEU 455 Ca 0.23 0.30 -0.12 0.00 0.05 0.00 0.00 54.13 54.59 1hqm s LEU 455 Cb -0.09 -2.45 0.15 0.00 -2.05 0.00 0.00 46.19 41.75 1hqm s LEU 455 CO 0.14 0.28 0.84 0.00 -0.55 0.00 0.00 176.35 177.07 1hqm n ALA 456 N 1.13 -2.02 -1.00 1.48 0.00 -1.25 -4.44 120.51 114.41 1hqm n ALA 456 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1hqm n ALA 456 Cb 0.53 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1hqm n ALA 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqm n ALA 457 N -4.30 0.00 0.00 0.00 0.00 -1.21 -3.19 120.51 111.81 1hqm n ALA 457 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1hqm n ALA 457 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1hqm n ALA 457 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1hqm n TYR 458 N 0.00 0.00 -1.90 0.00 4.02 -1.24 -4.71 117.16 113.33 1hqm n TYR 458 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.48 1hqm n TYR 458 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 1hqm n TYR 458 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hqm s ALA 459 N -1.10 3.57 0.33 -0.72 0.00 -1.19 -4.11 121.76 118.53 1hqm s ALA 459 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1hqm s ALA 459 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1hqm s ALA 459 CO 0.00 -0.92 0.00 -2.13 0.00 0.00 0.00 175.76 172.71 1hqm n ARG 460 N 0.77 -2.55 0.00 0.00 0.63 -0.02 -4.99 116.66 110.50 1hqm n ARG 460 Ca 0.01 1.76 0.00 0.00 -0.92 0.00 0.00 57.85 58.70 1hqm n ARG 460 Cb 0.40 -3.11 0.00 0.00 0.45 0.00 0.00 32.46 30.19 1hqm n ARG 460 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1hqm n VAL 461 N -3.78 0.00 -3.67 5.15 0.31 -1.26 -4.97 118.33 110.11 1hqm n VAL 461 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1hqm n VAL 461 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 1hqm n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1hqm n ASP 462 N 0.00 0.00 -4.54 4.52 9.92 -1.26 -4.96 116.55 120.23 1hqm n ASP 462 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.01 1hqm n ASP 462 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1hqm n ASP 462 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hqm n ALA 463 N -0.08 0.58 -2.57 2.24 0.00 -1.26 -4.88 120.51 114.54 1hqm n ALA 463 Ca 0.00 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.97 1hqm n ALA 463 Cb 0.00 -3.04 -0.11 0.00 0.00 0.00 0.00 19.45 16.30 1hqm n ALA 463 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1hqm s LEU 464 N 11.43 4.57 -0.05 0.00 2.96 -1.26 -4.84 118.68 131.49 1hqm s LEU 464 Ca 1.04 -0.53 0.13 0.00 -0.22 0.00 0.00 54.13 54.56 1hqm s LEU 464 Cb -0.36 -2.12 -0.20 0.00 0.50 0.00 0.00 46.19 44.01 1hqm s LEU 464 CO 0.25 -0.27 0.23 0.61 -1.32 0.00 0.00 176.35 175.85 1hqm n GLY 465 N 5.10 -0.64 0.00 7.98 0.00 -1.26 -5.08 105.19 111.28 1hqm n GLY 465 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1hqm n GLY 465 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1hqm n PHE 466 N -2.13 0.00 -0.68 1.61 1.16 -1.26 -4.97 117.46 111.19 1hqm n PHE 466 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.50 1hqm n PHE 466 Cb 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 1hqm n PHE 466 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 1hqm n ILE 467 N 0.85 0.00 0.00 1.97 5.41 -1.26 -4.84 119.36 121.49 1hqm n ILE 467 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1hqm n ILE 467 Cb 0.00 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 1hqm n ILE 467 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1hqm n ARG 468 N 0.75 0.00 -1.72 0.38 3.00 -1.26 -4.83 116.66 112.98 1hqm n ARG 468 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1hqm n ARG 468 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1hqm n ARG 468 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1hqm n THR 469 N -0.25 -8.77 -2.00 0.55 -2.24 -1.26 -3.02 114.28 97.28 1hqm n THR 469 Ca 0.00 1.90 -0.09 0.00 -2.27 0.00 0.00 64.05 63.59 1hqm n THR 469 Cb 0.00 -4.68 0.06 0.00 -2.10 0.00 0.00 70.33 63.60 1hqm n THR 469 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1hqm n PRO 470 N 1.09 0.05 -4.09 -0.78 -0.04 -1.24 -0.84 135.00 129.14 1hqm n PRO 470 Ca 0.00 -0.91 -0.35 0.00 -0.04 0.00 0.00 63.50 62.20 1hqm n PRO 470 Cb 0.00 -0.34 -0.07 0.00 -0.04 0.00 0.00 33.50 33.05 1hqm n PRO 470 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1hqm s TYR 471 N -1.37 3.38 -0.17 0.54 2.02 -1.26 -3.01 117.35 117.48 1hqm s TYR 471 Ca 0.25 0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 57.24 1hqm s TYR 471 Cb -0.01 -1.83 0.08 0.00 -0.40 0.00 0.00 41.96 39.80 1hqm s TYR 471 CO 0.17 0.60 0.22 1.03 -1.57 0.00 0.00 175.55 176.01 1hqm s ARG 472 N -1.24 0.16 0.91 -0.62 0.52 0.01 -4.16 118.95 114.53 1hqm s ARG 472 Ca 0.17 0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 55.64 1hqm s ARG 472 Cb -0.12 -0.79 0.04 0.00 0.52 0.00 0.00 34.95 34.60 1hqm s ARG 472 CO 0.07 -0.52 0.56 -2.13 0.02 0.00 0.00 175.30 173.30 1hqm n ARG 473 N 5.33 -0.20 -2.92 3.54 0.63 -0.64 -4.08 116.66 118.32 1hqm n ARG 473 Ca -0.05 -0.01 -0.13 0.00 -0.92 0.00 0.00 57.85 56.74 1hqm n ARG 473 Cb 0.50 -1.95 0.04 0.00 0.45 0.00 0.00 32.46 31.49 1hqm n ARG 473 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1hqm n VAL 474 N -3.49 -0.01 -2.42 5.15 0.31 -1.25 -3.90 118.33 112.72 1hqm n VAL 474 Ca 0.08 -2.89 -0.02 0.00 -0.01 0.00 0.00 64.34 61.51 1hqm n VAL 474 Cb 0.53 0.68 -0.01 0.00 -0.91 0.00 0.00 33.84 34.12 1hqm n VAL 474 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1hqm n LYS 475 N 0.24 -3.09 0.00 5.55 0.00 -1.26 -2.95 118.16 116.64 1hqm n LYS 475 Ca 0.14 2.51 0.00 0.00 -0.00 0.00 0.00 58.31 60.96 1hqm n LYS 475 Cb 0.70 -4.37 0.00 0.00 -0.00 0.00 0.00 35.03 31.36 1hqm n LYS 475 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1hqm n ASN 476 N 0.85 -2.66 0.00 -5.58 0.23 -1.26 -4.68 115.26 102.15 1hqm n ASN 476 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 1hqm n ASN 476 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 1hqm n ASN 476 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1hqm n GLY 477 N 0.00 2.60 1.94 4.83 0.00 -1.26 -4.70 105.19 108.60 1hqm n GLY 477 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1hqm n GLY 477 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1hqm n VAL 478 N 0.00 0.00 -0.26 1.61 3.14 -1.26 -5.00 118.33 116.56 1hqm n VAL 478 Ca 0.00 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 1hqm n VAL 478 Cb 0.00 -1.42 0.00 0.00 -1.06 0.00 0.00 33.84 31.36 1hqm n VAL 478 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1hqm n VAL 479 N -3.38 0.00 -1.69 1.55 0.24 -1.26 -4.13 118.33 109.66 1hqm n VAL 479 Ca 0.08 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1hqm n VAL 479 Cb 0.31 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 1hqm n VAL 479 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1hqm n THR 480 N -0.03 -3.85 -0.82 3.34 5.66 -1.26 -0.81 114.28 116.51 1hqm n THR 480 Ca 0.00 1.12 -0.10 0.00 -3.05 0.00 0.00 64.05 62.02 1hqm n THR 480 Cb 0.06 -1.90 -0.14 0.00 -1.55 0.00 0.00 70.33 66.80 1hqm n THR 480 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1hqm n GLU 481 N 1.29 1.65 -0.53 1.09 4.71 -1.26 -2.49 120.64 125.09 1hqm n GLU 481 Ca 0.00 -0.82 -0.21 0.00 -0.01 0.00 0.00 57.16 56.13 1hqm n GLU 481 Cb 0.00 -1.90 -0.03 0.00 -1.01 0.00 0.00 31.44 28.50 1hqm n GLU 481 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 1hqm n GLU 482 N 2.57 0.00 -0.26 3.49 0.00 -1.16 -4.75 120.64 120.52 1hqm n GLU 482 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 57.30 1hqm n GLU 482 Cb 0.76 -0.47 0.20 0.00 0.00 0.00 0.00 31.44 31.93 1hqm n GLU 482 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1hqm n VAL 483 N 1.07 0.00 0.30 3.84 0.24 -1.26 -3.68 118.33 118.84 1hqm n VAL 483 Ca 0.09 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.48 1hqm n VAL 483 Cb -0.01 -0.68 -0.13 0.00 -1.47 0.00 0.00 33.84 31.55 1hqm n VAL 483 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1hqm n VAL 484 N -4.93 0.00 -2.36 3.34 0.31 -1.26 -4.14 118.33 109.28 1hqm n VAL 484 Ca 0.09 -0.30 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 1hqm n VAL 484 Cb 0.41 0.40 0.01 0.00 -0.91 0.00 0.00 33.84 33.76 1hqm n VAL 484 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1hqm n TYR 485 N -1.90 3.23 -4.36 3.52 4.02 -1.26 -4.79 117.16 115.61 1hqm n TYR 485 Ca -0.01 -2.84 -0.34 0.00 -0.01 0.00 0.00 57.90 54.71 1hqm n TYR 485 Cb 0.42 -0.76 -0.14 0.00 -0.02 0.00 0.00 39.34 38.84 1hqm n TYR 485 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1hqm s MET 486 N -3.88 3.46 -0.19 -0.72 0.00 -1.26 -4.96 119.30 111.75 1hqm s MET 486 Ca 0.48 -0.62 0.06 0.00 0.00 0.00 0.00 55.69 55.61 1hqm s MET 486 Cb 0.36 -2.84 -0.16 0.00 0.00 0.00 0.00 34.83 32.19 1hqm s MET 486 CO -0.26 0.07 -0.10 2.41 0.00 0.00 0.00 175.02 177.14 1hqm n THR 487 N 3.99 1.15 -1.95 10.11 -1.04 -1.26 -4.88 114.28 120.41 1hqm n THR 487 Ca -0.18 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1hqm n THR 487 Cb 0.52 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1hqm n THR 487 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hqm n ALA 488 N -2.92 -0.48 -3.60 2.41 0.00 -1.26 -0.61 120.51 114.05 1hqm n ALA 488 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1hqm n ALA 488 Cb 0.94 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.43 1hqm n ALA 488 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1hqm n SER 489 N 0.54 -2.24 0.00 0.00 3.41 -1.26 -3.57 113.62 110.50 1hqm n SER 489 Ca 0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 1hqm n SER 489 Cb 0.00 -4.33 0.00 0.00 -0.26 0.00 0.00 64.21 59.62 1hqm n SER 489 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1hqm n GLU 490 N -4.13 0.00 -3.64 4.33 0.00 0.22 -4.56 120.64 112.86 1hqm n GLU 490 Ca -0.26 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 56.82 1hqm n GLU 490 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 32.03 1hqm n GLU 490 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1hqm s GLU 491 N -0.40 0.72 -0.29 5.31 -1.05 0.11 -3.98 118.70 119.13 1hqm s GLU 491 Ca 0.00 1.15 -0.08 0.00 -0.15 0.00 0.00 54.97 55.88 1hqm s GLU 491 Cb 0.00 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1hqm s GLU 491 CO 0.00 -0.13 0.11 -0.51 0.95 0.00 0.00 175.26 175.67 1hqm s ASP 492 N 1.34 5.29 0.83 0.83 1.11 -1.26 0.10 116.67 124.91 1hqm s ASP 492 Ca -0.08 -0.48 -0.12 0.00 0.18 0.00 0.00 52.55 52.05 1hqm s ASP 492 Cb -0.05 -1.94 0.10 0.00 1.07 0.00 0.00 42.92 42.10 1hqm s ASP 492 CO -0.15 -0.14 1.18 -0.13 1.18 0.00 0.00 175.17 177.11 1hqm s ARG 493 N 1.58 1.52 0.35 8.23 0.52 -0.85 -0.90 118.95 129.40 1hqm s ARG 493 Ca 0.05 1.67 -0.27 0.00 -0.52 0.00 0.00 55.73 56.66 1hqm s ARG 493 Cb -0.16 -1.77 -0.12 0.00 0.52 0.00 0.00 34.95 33.41 1hqm s ARG 493 CO 0.04 -2.28 1.05 0.98 0.02 0.00 0.00 175.30 175.11 1hqm n TYR 494 N -3.54 1.38 0.00 -0.53 9.36 -1.26 -4.85 117.16 117.72 1hqm n TYR 494 Ca 0.13 0.62 0.00 0.00 3.32 0.00 0.00 57.90 61.97 1hqm n TYR 494 Cb 0.51 -2.27 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 1hqm n TYR 494 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1hqm n THR 495 N -0.04 0.00 -3.40 2.97 -1.04 -1.26 -5.07 114.28 106.44 1hqm n THR 495 Ca 0.09 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 1hqm n THR 495 Cb 0.35 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.88 1hqm n THR 495 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1hqm n ILE 496 N 0.35 -7.34 -3.06 12.58 -0.00 -1.26 -5.02 119.36 115.60 1hqm n ILE 496 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 62.75 62.34 1hqm n ILE 496 Cb 0.00 -5.27 0.00 0.00 -0.00 0.00 0.00 39.64 34.37 1hqm n ILE 496 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1hqm n ALA 497 N -2.61 0.00 0.00 -1.39 0.00 -1.26 -4.30 120.51 110.95 1hqm n ALA 497 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1hqm n ALA 497 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1hqm n ALA 497 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hqm n GLN 498 N -0.86 0.00 0.00 0.00 3.00 -1.26 -3.15 117.38 115.11 1hqm n GLN 498 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1hqm n GLN 498 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1hqm n GLN 498 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1hqm n ALA 499 N 0.00 0.00 -0.39 -1.58 0.00 -1.26 0.36 120.51 117.64 1hqm n ALA 499 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqm n ALA 499 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hqm n ALA 499 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1hqm n ASN 500 N 2.94 0.21 -0.60 0.00 3.02 -1.26 -4.83 115.26 114.74 1hqm n ASN 500 Ca 0.00 -0.67 0.08 0.00 -0.03 0.00 0.00 54.58 53.95 1hqm n ASN 500 Cb 0.00 0.14 0.19 0.00 -0.61 0.00 0.00 39.78 39.50 1hqm n ASN 500 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1hqm n THR 501 N -0.14 1.83 -0.31 3.41 -1.04 0.16 -4.92 114.28 113.27 1hqm n THR 501 Ca 0.00 -1.70 0.00 0.00 -2.04 0.00 0.00 64.05 60.31 1hqm n THR 501 Cb 0.10 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1hqm n THR 501 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1hqm n PRO 502 N -0.49 0.00 -2.79 -2.82 -0.02 -1.16 -4.71 135.00 123.01 1hqm n PRO 502 Ca 0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 1hqm n PRO 502 Cb 0.69 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.16 1hqm n PRO 502 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hqm s LEU 503 N 0.00 4.50 0.00 2.45 1.43 -1.19 -4.47 118.68 121.41 1hqm s LEU 503 Ca 0.00 -2.29 0.00 0.00 -1.03 0.00 0.00 54.13 50.81 1hqm s LEU 503 Cb 0.00 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.75 1hqm s LEU 503 CO 0.00 -1.08 0.00 -0.62 0.23 0.00 0.00 176.35 174.88 1hqm n GLU 504 N 7.11 1.10 -1.94 1.70 4.71 -1.26 -4.88 120.64 127.18 1hqm n GLU 504 Ca 0.34 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.46 1hqm n GLU 504 Cb 0.47 -0.91 -0.01 0.00 -1.01 0.00 0.00 31.44 29.98 1hqm n GLU 504 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1hqm n GLY 505 N 2.06 -0.30 0.02 0.62 0.00 -1.26 -3.90 105.19 102.42 1hqm n GLY 505 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1hqm n GLY 505 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hqm n ASP 506 N -0.97 0.00 -3.24 1.61 -0.08 -1.26 -4.99 116.55 107.62 1hqm n ASP 506 Ca 0.01 -0.64 -0.45 0.00 -1.51 0.00 0.00 54.79 52.20 1hqm n ASP 506 Cb 0.31 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.70 1hqm n ASP 506 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1hqm n ARG 507 N 0.00 0.00 -2.52 -0.67 1.74 -1.25 -4.51 116.66 109.44 1hqm n ARG 507 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1hqm n ARG 507 Cb 0.32 -1.05 -0.04 0.00 -1.02 0.00 0.00 32.46 30.67 1hqm n ARG 507 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1hqm s ILE 508 N 1.19 3.63 0.16 0.55 -0.00 -1.25 -4.04 121.20 121.44 1hqm s ILE 508 Ca 0.69 1.60 -0.15 0.00 -0.00 0.00 0.00 60.65 62.79 1hqm s ILE 508 Cb -0.98 -4.02 0.02 0.00 -0.00 0.00 0.00 42.46 37.49 1hqm s ILE 508 CO 0.50 0.37 0.42 0.00 -0.00 0.00 0.00 174.94 176.22 1hqm s ALA 509 N -1.02 -0.73 0.05 2.27 0.00 -1.22 -2.01 121.76 119.09 1hqm s ALA 509 Ca 0.45 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1hqm s ALA 509 Cb -0.31 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1hqm s ALA 509 CO 0.39 -0.70 -0.08 0.99 0.00 0.00 0.00 175.76 176.35 1hqm s THR 510 N -3.86 3.51 -0.26 0.00 2.01 0.29 -3.53 115.64 113.79 1hqm s THR 510 Ca 0.08 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1hqm s THR 510 Cb 0.01 -2.58 0.15 0.00 0.01 0.00 0.00 72.50 70.10 1hqm s THR 510 CO -0.06 0.27 0.47 1.51 -0.69 0.00 0.00 174.62 176.11 1hqm s ASP 511 N -1.77 -0.41 0.00 3.53 -4.77 -1.16 0.08 116.67 112.17 1hqm s ASP 511 Ca 0.19 0.51 0.00 0.00 -3.30 0.00 0.00 52.55 49.95 1hqm s ASP 511 Cb -0.11 1.54 0.00 0.00 -1.09 0.00 0.00 42.92 43.26 1hqm s ASP 511 CO 0.10 -0.28 0.00 -1.14 0.70 0.00 0.00 175.17 174.55 1hqm n ARG 512 N 5.39 0.00 0.00 2.11 0.00 -1.26 -3.94 116.66 118.96 1hqm n ARG 512 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1hqm n ARG 512 Cb 0.50 -0.45 0.00 0.00 0.00 0.00 0.00 32.46 32.52 1hqm n ARG 512 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1hqm n VAL 513 N 0.00 0.00 -1.45 5.15 0.24 -1.26 -5.14 118.33 115.87 1hqm n VAL 513 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.86 1hqm n VAL 513 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1hqm n VAL 513 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1hqm n VAL 514 N 0.00 1.75 0.15 3.34 3.14 -1.25 -4.75 118.33 120.71 1hqm n VAL 514 Ca 0.00 -0.50 0.02 0.00 -2.96 0.00 0.00 64.34 60.90 1hqm n VAL 514 Cb 0.00 -0.41 0.08 0.00 -1.06 0.00 0.00 33.84 32.45 1hqm n VAL 514 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hqm n ALA 515 N -0.37 1.34 -0.06 1.55 0.00 -1.26 -3.01 120.51 118.70 1hqm n ALA 515 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1hqm n ALA 515 Cb 0.33 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1hqm n ALA 515 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hqm n ARG 516 N -1.30 0.00 0.00 0.00 1.74 -1.23 -3.95 116.66 111.92 1hqm n ARG 516 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1hqm n ARG 516 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 1hqm n ARG 516 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1hqm n ARG 517 N 0.34 0.00 -3.15 5.56 0.63 -1.26 -3.87 116.66 114.90 1hqm n ARG 517 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1hqm n ARG 517 Cb 0.00 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 1hqm n ARG 517 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1hqm s ARG 518 N -0.16 0.69 0.52 -0.14 1.70 -1.26 -3.46 118.95 116.85 1hqm s ARG 518 Ca 0.00 -0.09 0.36 0.00 -0.47 0.00 0.00 55.73 55.53 1hqm s ARG 518 Cb 0.00 0.12 1.51 0.00 -0.57 0.00 0.00 34.95 36.01 1hqm s ARG 518 CO 0.00 -1.04 1.74 0.78 -1.08 0.00 0.00 175.30 175.70 1hqm h GLY 519 N 7.01 0.30 -0.63 3.88 0.00 -1.75 -3.45 103.07 108.43 1hqm h GLY 519 Ca 0.03 -0.04 -0.27 0.00 0.00 0.00 0.00 47.33 47.04 1hqm h GLY 519 CO 0.09 -0.06 -0.25 1.18 0.00 0.00 0.00 176.54 177.50 1hqm n GLU 520 N -4.25 -1.66 -0.56 4.80 1.02 -1.26 -4.83 120.64 113.90 1hqm n GLU 520 Ca 0.30 0.97 0.46 0.00 -0.02 0.00 0.00 57.16 58.87 1hqm n GLU 520 Cb 1.34 -5.40 0.79 0.00 -0.02 0.00 0.00 31.44 28.15 1hqm n GLU 520 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1hqm h PRO 521 N 0.00 0.01 -6.71 3.49 0.11 -1.92 -3.43 132.00 123.55 1hqm h PRO 521 Ca -0.27 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.54 1hqm h PRO 521 Cb 1.23 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 1hqm h PRO 521 CO 0.40 0.01 -0.49 1.33 -0.21 0.00 0.00 178.00 179.04 1hqm n VAL 522 N -4.08 -0.94 0.42 3.15 0.24 -1.26 -4.78 118.33 111.08 1hqm n VAL 522 Ca 0.38 -0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.52 1hqm n VAL 522 Cb 1.71 -0.83 0.01 0.00 -1.47 0.00 0.00 33.84 33.26 1hqm n VAL 522 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1hqm n ILE 523 N -2.89 0.26 0.00 1.34 -0.00 -1.26 -4.90 119.36 111.91 1hqm n ILE 523 Ca -0.10 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.32 1hqm n ILE 523 Cb 0.30 0.05 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 1hqm n ILE 523 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.55 177.88 1hqm n VAL 524 N -2.15 0.00 -0.97 1.39 0.24 -1.26 -4.85 118.33 110.74 1hqm n VAL 524 Ca 0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.18 1hqm n VAL 524 Cb 0.47 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1hqm n VAL 524 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hqm n ALA 525 N 0.91 -1.16 -0.19 2.33 0.00 -1.26 -4.43 120.51 116.71 1hqm n ALA 525 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 1hqm n ALA 525 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 1hqm n ALA 525 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1hqm n PRO 526 N -2.65 0.00 -0.94 0.00 -0.02 -1.26 -3.40 135.00 126.73 1hqm n PRO 526 Ca 0.07 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.54 1hqm n PRO 526 Cb 0.25 -0.20 0.00 0.00 -0.02 0.00 0.00 33.50 33.53 1hqm n PRO 526 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1hqm n GLU 527 N 0.68 -0.05 -3.27 -0.52 0.00 -1.15 0.12 120.64 116.45 1hqm n GLU 527 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 57.16 57.02 1hqm n GLU 527 Cb 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 31.44 31.38 1hqm n GLU 527 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1hqm n GLU 528 N 0.17 -0.91 0.00 3.44 0.00 -1.22 0.48 120.64 122.60 1hqm n GLU 528 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1hqm n GLU 528 Cb 0.02 -2.15 0.00 0.00 0.00 0.00 0.00 31.44 29.31 1hqm n GLU 528 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1hqm n VAL 529 N -2.62 0.00 -1.94 3.84 0.31 0.33 -4.19 118.33 114.06 1hqm n VAL 529 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1hqm n VAL 529 Cb 0.30 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1hqm n VAL 529 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hqm n GLU 530 N 0.00 0.00 -0.50 5.55 4.71 -0.25 -4.72 120.64 125.44 1hqm n GLU 530 Ca 0.00 -0.08 -0.29 0.00 -0.01 0.00 0.00 57.16 56.78 1hqm n GLU 530 Cb 0.00 -0.06 0.22 0.00 -1.01 0.00 0.00 31.44 30.60 1hqm n GLU 530 CO 0.00 0.00 0.00 1.97 0.09 0.00 0.00 177.13 179.19 1hqm n PHE 531 N 0.00 -1.94 0.00 -0.32 -0.00 0.18 -4.46 117.46 110.92 1hqm n PHE 531 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 1hqm n PHE 531 Cb 0.51 -1.54 0.00 0.00 -0.00 0.00 0.00 39.48 38.45 1hqm n PHE 531 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1hqm n MET 532 N -3.71 0.00 -4.44 3.97 2.00 -0.08 -3.88 117.12 110.98 1hqm n MET 532 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.40 1hqm n MET 532 Cb 0.56 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.63 1hqm n MET 532 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1hqm s ASP 533 N -0.76 3.80 -0.35 7.83 1.01 -1.24 -1.62 116.67 125.34 1hqm s ASP 533 Ca 0.00 -0.44 -0.27 0.00 0.71 0.00 0.00 52.55 52.55 1hqm s ASP 533 Cb 0.00 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 1hqm s ASP 533 CO 0.00 0.08 2.20 0.68 0.21 0.00 0.00 175.17 178.33 1hqm s VAL 534 N 0.87 3.10 0.43 -1.27 -7.23 -1.26 -4.63 120.40 110.41 1hqm s VAL 534 Ca -0.04 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 1hqm s VAL 534 Cb -0.15 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.62 1hqm s VAL 534 CO -0.01 -0.13 0.00 -1.20 -0.31 0.00 0.00 175.10 173.45 1hqm n SER 535 N 12.93 -6.47 0.06 4.85 7.64 -1.26 -4.64 113.62 126.72 1hqm n SER 535 Ca 0.30 0.97 -0.04 0.00 1.01 0.00 0.00 58.87 61.11 1hqm n SER 535 Cb 0.49 -4.12 -0.02 0.00 -1.01 0.00 0.00 64.21 59.55 1hqm n SER 535 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1hqm h PRO 536 N -1.34 -0.22 0.00 1.43 0.11 -1.87 -3.38 132.00 126.73 1hqm h PRO 536 Ca -0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1hqm h PRO 536 Cb 1.20 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1hqm h PRO 536 CO 0.05 -0.15 0.00 1.63 -0.21 0.00 0.00 178.00 179.32 1hqm n LYS 537 N -4.61 0.00 0.00 1.05 5.02 -1.26 0.62 118.16 118.98 1hqm n LYS 537 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1hqm n LYS 537 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 1hqm n LYS 537 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqm n GLN 538 N 0.00 0.00 0.05 1.97 10.64 -1.26 0.96 117.38 129.74 1hqm n GLN 538 Ca 0.00 0.27 -0.04 0.00 -1.83 0.00 0.00 57.00 55.41 1hqm n GLN 538 Cb 0.00 -1.71 -0.08 0.00 -0.86 0.00 0.00 30.24 27.59 1hqm n GLN 538 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1hqm h VAL 539 N 0.00 1.05 -1.19 -0.39 2.07 -0.10 -3.40 116.25 114.28 1hqm h VAL 539 Ca 0.00 -2.66 -0.64 0.00 0.82 0.00 0.00 66.70 64.22 1hqm h VAL 539 Cb 0.42 2.47 -0.13 0.00 -1.52 0.00 0.00 31.29 32.53 1hqm h VAL 539 CO 0.00 0.60 -0.55 -0.36 0.02 0.00 0.00 177.57 177.27 1hqm s PHE 540 N -2.79 2.11 0.22 1.57 0.40 0.27 -4.31 117.98 115.45 1hqm s PHE 540 Ca -0.00 -0.87 -0.30 0.00 -0.60 0.00 0.00 56.93 55.15 1hqm s PHE 540 Cb 0.09 -1.62 -0.10 0.00 0.51 0.00 0.00 43.02 41.90 1hqm s PHE 540 CO 0.80 0.26 1.40 -1.54 0.70 0.00 0.00 175.22 176.84 1hqm s SER 541 N -3.77 6.74 0.55 1.36 1.04 -1.26 -3.32 113.70 115.04 1hqm s SER 541 Ca 0.20 2.56 0.37 0.00 0.48 0.00 0.00 55.95 59.56 1hqm s SER 541 Cb 0.05 -2.62 1.54 0.00 0.10 0.00 0.00 66.02 65.10 1hqm s SER 541 CO 0.10 -0.64 1.76 0.25 0.98 0.00 0.00 173.24 175.69 1hqm h LEU 542 N 5.30 0.00 -3.69 2.42 5.85 -1.90 0.26 115.31 123.55 1hqm h LEU 542 Ca -0.45 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 57.90 1hqm h LEU 542 Cb 1.22 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.03 1hqm h LEU 542 CO 0.79 0.00 0.28 -0.46 -0.34 0.00 0.00 178.44 178.71 1hqm n ASN 543 N -4.06 3.38 0.00 1.25 6.94 -1.26 -4.06 115.26 117.45 1hqm n ASN 543 Ca 0.26 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 51.11 1hqm n ASN 543 Cb 1.31 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.99 1hqm n ASN 543 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1hqm n THR 544 N -1.12 0.00 0.00 5.53 -1.04 0.87 -4.57 114.28 113.95 1hqm n THR 544 Ca 0.47 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 1hqm n THR 544 Cb 1.31 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 1hqm n THR 544 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1hqm n ASN 545 N -2.43 0.00 -1.17 8.00 3.02 -0.93 -0.53 115.26 121.22 1hqm n ASN 545 Ca 0.00 0.15 0.02 0.00 -0.03 0.00 0.00 54.58 54.72 1hqm n ASN 545 Cb 0.46 -0.15 0.18 0.00 -0.61 0.00 0.00 39.78 39.66 1hqm n ASN 545 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1hqm n LEU 546 N -1.04 3.27 -4.25 3.41 4.77 -1.26 -4.69 117.00 117.21 1hqm n LEU 546 Ca 0.00 -1.66 -0.39 0.00 -0.03 0.00 0.00 56.01 53.93 1hqm n LEU 546 Cb 0.11 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 1hqm n LEU 546 CO 0.00 0.44 -0.15 -0.63 -1.33 0.00 0.00 177.39 175.72 1hqm s ILE 547 N -1.78 3.97 0.47 -0.08 1.01 0.31 -4.94 121.20 120.16 1hqm s ILE 547 Ca 0.25 -1.43 0.30 0.00 0.00 0.00 0.00 60.65 59.77 1hqm s ILE 547 Cb 0.19 -3.42 0.50 0.00 0.01 0.00 0.00 42.46 39.73 1hqm s ILE 547 CO 0.07 -0.45 1.73 1.55 0.00 0.00 0.00 174.94 177.84 1hqm h PRO 548 N 8.31 0.15 -0.83 2.79 0.13 -1.80 -2.82 132.00 137.93 1hqm h PRO 548 Ca -0.22 -0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.52 1hqm h PRO 548 Cb 1.08 -0.03 -0.41 0.00 0.13 0.00 0.00 31.00 31.76 1hqm h PRO 548 CO 0.71 0.10 -1.03 1.19 -0.23 0.00 0.00 178.00 178.74 1hqm n PHE 549 N -4.44 1.84 -0.34 1.56 3.01 -1.26 -4.63 117.46 113.20 1hqm n PHE 549 Ca 0.30 -2.50 0.09 0.00 1.01 0.00 0.00 57.45 56.35 1hqm n PHE 549 Cb 1.24 -0.27 0.19 0.00 -0.01 0.00 0.00 39.48 40.63 1hqm n PHE 549 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1hqm h LEU 550 N 2.64 -0.70 -0.11 4.37 5.85 -1.85 -2.16 115.31 123.35 1hqm h LEU 550 Ca 0.04 0.28 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1hqm h LEU 550 Cb 1.24 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 1hqm h LEU 550 CO 0.49 -0.32 -0.06 -0.62 -0.34 0.00 0.00 178.44 177.58 1hqm n GLU 551 N -5.55 -0.05 -0.16 1.25 4.71 -1.26 0.33 120.64 119.91 1hqm n GLU 551 Ca 0.18 0.54 -0.10 0.00 -0.01 0.00 0.00 57.16 57.77 1hqm n GLU 551 Cb 0.58 -0.80 -0.00 0.00 -1.01 0.00 0.00 31.44 30.21 1hqm n GLU 551 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1hqm h HIS 552 N 0.00 0.91 -1.71 -0.32 3.86 -1.77 -3.44 115.15 112.67 1hqm h HIS 552 Ca 0.02 -0.16 -0.70 0.00 -1.16 0.00 0.00 60.37 58.37 1hqm h HIS 552 Cb 0.04 -0.24 0.02 0.00 1.06 0.00 0.00 27.41 28.30 1hqm h HIS 552 CO -0.46 0.87 0.92 -0.25 0.86 0.00 0.00 177.93 179.87 1hqm n ASP 553 N -4.36 2.65 -4.68 2.45 9.92 0.15 -4.35 116.55 118.34 1hqm n ASP 553 Ca 0.00 1.05 -0.42 0.00 -0.53 0.00 0.00 54.79 54.89 1hqm n ASP 553 Cb 0.31 -1.22 -0.03 0.00 -0.64 0.00 0.00 41.12 39.54 1hqm n ASP 553 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1hqm s ASP 554 N 3.40 6.77 0.00 -2.24 -1.08 -1.18 -4.77 116.67 117.57 1hqm s ASP 554 Ca 0.95 2.18 0.00 0.00 -0.52 0.00 0.00 52.55 55.16 1hqm s ASP 554 Cb -0.94 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 37.96 1hqm s ASP 554 CO 0.60 -0.80 0.14 0.00 0.52 0.00 0.00 175.17 175.63 1hqm n ALA 555 N 5.84 0.00 -0.11 3.66 0.00 -1.26 0.53 120.51 129.17 1hqm n ALA 555 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1hqm n ALA 555 Cb 0.43 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1hqm n ALA 555 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1hqm n ASN 556 N -0.73 0.00 -0.27 0.00 2.85 -1.26 0.79 115.26 116.64 1hqm n ASN 556 Ca 0.00 0.39 0.01 0.00 -0.11 0.00 0.00 54.58 54.88 1hqm n ASN 556 Cb 0.00 -0.17 0.22 0.00 1.24 0.00 0.00 39.78 41.08 1hqm n ASN 556 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1hqm h ARG 557 N 0.00 1.04 -0.04 1.20 9.65 -1.66 0.29 114.38 124.87 1hqm h ARG 557 Ca 0.00 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1hqm h ARG 557 Cb 0.00 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.34 1hqm h ARG 557 CO 0.00 0.69 0.20 0.00 2.80 0.00 0.00 179.97 183.66 1hqm h ALA 558 N 1.50 1.31 0.00 2.80 0.00 0.57 0.50 119.26 125.95 1hqm h ALA 558 Ca 0.33 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.97 1hqm h ALA 558 Cb -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1hqm h ALA 558 CO -0.09 -0.22 -1.47 1.37 0.00 0.00 0.00 179.25 178.84 1hqm h LEU 559 N 0.00 0.01 0.00 0.00 8.10 0.13 -2.54 115.31 121.00 1hqm h LEU 559 Ca 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 58.00 1hqm h LEU 559 Cb 0.42 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.64 1hqm h LEU 559 CO -0.00 1.01 0.00 0.80 -4.11 0.00 0.00 178.44 176.14 1hqm n MET 560 N -3.15 0.37 0.00 0.17 1.56 0.17 -0.97 117.12 115.27 1hqm n MET 560 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 1hqm n MET 560 Cb 1.01 -1.44 0.00 0.00 2.15 0.00 0.00 33.22 34.94 1hqm n MET 560 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1hqm n GLY 561 N -0.25 0.00 0.23 -5.12 0.00 -1.15 -4.10 105.19 94.79 1hqm n GLY 561 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1hqm n GLY 561 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1hqm h SER 562 N 0.00 0.00 0.00 1.61 0.87 -0.60 -3.08 113.55 112.35 1hqm h SER 562 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1hqm h SER 562 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1hqm h SER 562 CO 0.00 0.18 0.00 0.59 -0.53 0.00 0.00 176.83 177.07 1hqm n ASN 563 N -4.26 0.00 0.00 6.23 3.02 -0.33 -4.64 115.26 115.28 1hqm n ASN 563 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1hqm n ASN 563 Cb 0.25 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1hqm n ASN 563 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1hqm n MET 564 N -1.40 0.00 0.00 3.52 1.56 -1.26 0.26 117.12 119.80 1hqm n MET 564 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.44 1hqm n MET 564 Cb 0.00 0.00 0.06 0.00 2.15 0.00 0.00 33.22 35.43 1hqm n MET 564 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1hqm n GLN 565 N -2.90 0.08 -0.04 2.12 7.27 -1.16 0.11 117.38 122.85 1hqm n GLN 565 Ca 0.00 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.92 1hqm n GLN 565 Cb 0.00 -1.43 -0.13 0.00 2.41 0.00 0.00 30.24 31.10 1hqm n GLN 565 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1hqm h THR 566 N 0.00 1.68 0.00 1.69 2.02 0.32 -3.25 112.91 115.37 1hqm h THR 566 Ca 0.00 -2.25 0.00 0.00 0.77 0.00 0.00 66.41 64.93 1hqm h THR 566 Cb 0.00 3.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 1hqm h THR 566 CO 0.00 0.60 0.00 0.00 0.37 0.00 0.00 175.52 176.49 1hqm n GLN 567 N -4.51 0.43 0.00 6.66 6.02 0.12 -4.13 117.38 121.97 1hqm n GLN 567 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1hqm n GLN 567 Cb 0.54 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.51 1hqm n GLN 567 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hqm n ALA 568 N 1.40 0.00 0.00 -1.58 0.00 -1.23 -1.37 120.51 117.73 1hqm n ALA 568 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqm n ALA 568 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1hqm n ALA 568 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1hqm n VAL 569 N 0.00 0.00 -1.25 0.00 3.14 -1.26 -2.10 118.33 116.86 1hqm n VAL 569 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 1hqm n VAL 569 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 1hqm n VAL 569 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1hqm n PRO 570 N 0.00 0.00 -3.34 1.45 -0.04 -1.26 -4.88 135.00 126.93 1hqm n PRO 570 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1hqm n PRO 570 Cb 0.00 -0.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1hqm n PRO 570 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hqm n LEU 571 N 1.79 0.00 -4.20 1.53 4.32 -1.26 -4.47 117.00 114.71 1hqm n LEU 571 Ca 0.16 -1.69 -0.40 0.00 -0.02 0.00 0.00 56.01 54.06 1hqm n LEU 571 Cb 0.23 0.42 -0.05 0.00 -1.62 0.00 0.00 43.42 42.39 1hqm n LEU 571 CO 0.50 -0.25 0.36 0.27 -1.22 0.00 0.00 177.39 177.04 1hqm s ILE 572 N -2.22 4.78 0.00 -0.08 -4.36 -1.23 -4.09 121.20 113.99 1hqm s ILE 572 Ca 0.07 -3.20 0.00 0.00 -0.26 0.00 0.00 60.65 57.26 1hqm s ILE 572 Cb 0.00 -3.97 0.00 0.00 1.25 0.00 0.00 42.46 39.74 1hqm s ILE 572 CO 0.05 -1.03 0.00 0.54 0.24 0.00 0.00 174.94 174.74 1hqm n ARG 573 N 3.12 0.00 -0.25 0.37 1.74 -1.26 -4.86 116.66 115.52 1hqm n ARG 573 Ca 0.16 0.00 0.29 0.00 -0.77 0.00 0.00 57.85 57.54 1hqm n ARG 573 Cb 0.40 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.29 1hqm n ARG 573 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hqm n ALA 574 N 0.00 1.04 -1.15 7.54 0.00 -1.26 -4.74 120.51 121.94 1hqm n ALA 574 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1hqm n ALA 574 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1hqm n ALA 574 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hqm n GLN 575 N -3.25 0.00 -1.69 0.00 6.02 -1.26 -4.09 117.38 113.11 1hqm n GLN 575 Ca 0.24 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.93 1hqm n GLN 575 Cb 1.54 -0.34 0.07 0.00 1.02 0.00 0.00 30.24 32.54 1hqm n GLN 575 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hqm s ALA 576 N 0.00 2.53 0.30 -1.58 0.00 -1.26 -4.32 121.76 117.42 1hqm s ALA 576 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 1hqm s ALA 576 Cb 0.00 -3.08 -0.07 0.00 0.00 0.00 0.00 23.12 19.97 1hqm s ALA 576 CO 0.00 -1.46 0.63 -1.25 0.00 0.00 0.00 175.76 173.69 1hqm s PRO 577 N -5.23 3.80 0.14 0.00 0.04 -1.26 -4.73 135.00 127.76 1hqm s PRO 577 Ca 0.60 0.34 -0.18 0.00 0.04 0.00 0.00 61.00 61.79 1hqm s PRO 577 Cb -0.13 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 1hqm s PRO 577 CO 0.53 0.19 1.79 0.28 0.04 0.00 0.00 177.00 179.83 1hqm h VAL 578 N 1.67 1.08 -3.43 -0.36 2.07 -1.89 -3.35 116.25 112.04 1hqm h VAL 578 Ca -0.47 -0.17 -0.71 0.00 0.82 0.00 0.00 66.70 66.16 1hqm h VAL 578 Cb 1.18 0.66 -0.29 0.00 -1.52 0.00 0.00 31.29 31.32 1hqm h VAL 578 CO 0.67 0.08 -0.47 0.68 0.02 0.00 0.00 177.57 178.55 1hqm s VAL 579 N -6.12 4.05 -0.07 2.57 -7.23 -1.25 0.43 120.40 112.78 1hqm s VAL 579 Ca -0.13 -1.57 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1hqm s VAL 579 Cb 0.09 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1hqm s VAL 579 CO 0.71 -0.57 -0.08 1.15 -0.31 0.00 0.00 175.10 176.00 1hqm n MET 580 N 4.86 0.17 -0.35 4.82 3.85 -0.03 -4.53 117.12 125.91 1hqm n MET 580 Ca -0.09 0.05 0.00 0.00 -1.00 0.00 0.00 57.70 56.67 1hqm n MET 580 Cb 0.42 -1.00 0.00 0.00 -1.05 0.00 0.00 33.22 31.59 1hqm n MET 580 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1hqm n THR 581 N -2.95 -0.71 0.00 3.17 -1.04 -1.26 -4.60 114.28 106.89 1hqm n THR 581 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1hqm n THR 581 Cb 0.63 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 1hqm n THR 581 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqm n GLY 582 N 1.94 0.00 0.33 3.41 0.00 -1.26 -0.88 105.19 108.73 1hqm n GLY 582 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1hqm n GLY 582 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1hqm h LEU 583 N 0.00 -0.18 -1.11 0.99 3.38 -1.89 0.79 115.31 117.28 1hqm h LEU 583 Ca 0.00 0.25 0.41 0.00 0.09 0.00 0.00 57.88 58.63 1hqm h LEU 583 Cb 0.00 0.38 -0.14 0.00 0.09 0.00 0.00 40.66 40.99 1hqm h LEU 583 CO 0.00 -0.31 0.68 -0.62 0.09 0.00 0.00 178.44 178.28 1hqm n GLU 584 N -5.37 -0.04 0.08 1.13 -0.58 -0.05 0.15 120.64 115.96 1hqm n GLU 584 Ca 0.25 1.17 0.13 0.00 -0.42 0.00 0.00 57.16 58.29 1hqm n GLU 584 Cb 0.84 -2.22 0.46 0.00 -0.57 0.00 0.00 31.44 29.94 1hqm n GLU 584 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1hqm n GLU 585 N -4.70 0.19 -0.06 3.49 1.02 0.27 0.46 120.64 121.31 1hqm n GLU 585 Ca 0.35 0.21 -0.07 0.00 -0.02 0.00 0.00 57.16 57.63 1hqm n GLU 585 Cb 1.32 -1.74 -0.07 0.00 -0.02 0.00 0.00 31.44 30.92 1hqm n GLU 585 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1hqm n ARG 586 N -2.07 1.18 -0.25 3.49 0.63 0.39 -4.62 116.66 115.42 1hqm n ARG 586 Ca 0.05 0.04 0.05 0.00 -0.92 0.00 0.00 57.85 57.07 1hqm n ARG 586 Cb 0.36 -1.27 0.16 0.00 0.45 0.00 0.00 32.46 32.17 1hqm n ARG 586 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1hqm h VAL 587 N 0.00 0.40 -0.95 5.15 2.07 -1.52 -1.76 116.25 119.64 1hqm h VAL 587 Ca -0.29 -0.05 -0.73 0.00 0.82 0.00 0.00 66.70 66.45 1hqm h VAL 587 Cb 1.54 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.45 1hqm h VAL 587 CO -0.02 0.03 2.66 0.52 0.02 0.00 0.00 177.57 180.78 1hqm n VAL 588 N -5.29 4.98 -0.98 2.57 0.31 -1.26 -2.99 118.33 115.67 1hqm n VAL 588 Ca 0.14 -4.00 0.00 0.00 -0.01 0.00 0.00 64.34 60.47 1hqm n VAL 588 Cb 0.47 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1hqm n VAL 588 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1hqm n ARG 589 N 2.31 0.00 0.00 5.55 5.12 -0.66 -4.79 116.66 124.18 1hqm n ARG 589 Ca 0.63 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.55 1hqm n ARG 589 Cb 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.56 1hqm n ARG 589 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1hqm n ASP 590 N 0.00 1.54 0.18 0.55 8.00 -1.16 -4.49 116.55 121.17 1hqm n ASP 590 Ca 0.00 -0.14 0.09 0.00 0.71 0.00 0.00 54.79 55.45 1hqm n ASP 590 Cb 0.23 0.59 0.10 0.00 -0.02 0.00 0.00 41.12 42.03 1hqm n ASP 590 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1hqm h SER 591 N 0.00 0.00 -0.08 -2.24 4.64 -1.84 -3.47 113.55 110.56 1hqm h SER 591 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1hqm h SER 591 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1hqm h SER 591 CO 0.00 0.15 -0.03 0.18 -0.87 0.00 0.00 176.83 176.26 1hqm n LEU 592 N -3.08 0.71 0.00 5.97 4.77 -1.26 -4.77 117.00 119.34 1hqm n LEU 592 Ca 0.02 0.04 0.05 0.00 -0.03 0.00 0.00 56.01 56.10 1hqm n LEU 592 Cb 0.60 -2.36 0.27 0.00 -2.33 0.00 0.00 43.42 39.60 1hqm n LEU 592 CO 0.37 -0.92 0.55 0.00 -1.33 0.00 0.00 177.39 176.05 1hqm n ALA 593 N 1.03 1.76 -2.52 -1.18 0.00 -1.26 -4.66 120.51 113.68 1hqm n ALA 593 Ca -0.02 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1hqm n ALA 593 Cb 0.47 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 1hqm n ALA 593 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqm s ALA 594 N -2.24 2.70 -0.37 0.00 0.00 -1.26 -3.79 121.76 116.80 1hqm s ALA 594 Ca 0.12 -2.14 -0.08 0.00 0.00 0.00 0.00 51.96 49.87 1hqm s ALA 594 Cb 0.07 0.47 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1hqm s ALA 594 CO 0.13 -0.23 0.16 -1.17 0.00 0.00 0.00 175.76 174.65 1hqm s LEU 595 N -3.58 4.63 0.00 0.00 2.96 -1.19 -5.00 118.68 116.50 1hqm s LEU 595 Ca 0.36 -1.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 1hqm s LEU 595 Cb 0.09 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1hqm s LEU 595 CO 0.16 -0.40 0.00 0.00 -1.32 0.00 0.00 176.35 174.80 1hqm n TYR 596 N 4.86 0.00 -4.10 5.38 0.18 -1.26 -4.00 117.16 118.22 1hqm n TYR 596 Ca -0.11 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.51 1hqm n TYR 596 Cb 0.44 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.36 1hqm n TYR 596 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1hqm n ALA 597 N -3.00 -0.10 0.02 -3.48 0.00 -1.26 -4.68 120.51 108.01 1hqm n ALA 597 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.79 1hqm n ALA 597 Cb 0.00 1.33 0.00 0.00 0.00 0.00 0.00 19.45 20.78 1hqm n ALA 597 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1hqm n GLU 598 N -0.58 0.00 -4.27 0.00 1.02 -1.26 -5.11 120.64 110.44 1hqm n GLU 598 Ca 0.02 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 1hqm n GLU 598 Cb 0.57 -0.12 -0.14 0.00 -0.02 0.00 0.00 31.44 31.74 1hqm n GLU 598 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1hqm s GLU 599 N -1.29 0.67 0.00 3.49 8.01 -1.26 -5.11 118.70 123.20 1hqm s GLU 599 Ca 0.00 -0.46 0.00 0.00 0.01 0.00 0.00 54.97 54.52 1hqm s GLU 599 Cb 0.00 -0.62 0.00 0.00 -4.31 0.00 0.00 34.13 29.20 1hqm s GLU 599 CO 0.00 0.16 0.00 -0.25 0.01 0.00 0.00 175.26 175.18 1hqm n ASP 600 N 2.45 0.00 0.00 -0.19 8.00 -1.26 -4.76 116.55 120.78 1hqm n ASP 600 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1hqm n ASP 600 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1hqm n ASP 600 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hqm n GLY 601 N 0.00 3.64 0.00 0.44 0.00 -1.26 -3.81 105.19 104.20 1hqm n GLY 601 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1hqm n GLY 601 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hqm n GLU 602 N 0.00 0.00 0.06 1.61 -0.58 -1.10 -3.68 120.64 116.95 1hqm n GLU 602 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1hqm n GLU 602 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1hqm n GLU 602 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1hqm n VAL 603 N 0.18 0.00 0.00 2.62 0.24 -0.05 -4.33 118.33 116.99 1hqm n VAL 603 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1hqm n VAL 603 Cb 0.00 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1hqm n VAL 603 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1hqm n VAL 604 N -2.77 0.00 0.00 3.34 0.31 -1.26 -4.33 118.33 113.61 1hqm n VAL 604 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hqm n VAL 604 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1hqm n VAL 604 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1hqm n LYS 605 N 0.00 0.00 0.00 5.55 4.81 -1.25 -4.91 118.16 122.36 1hqm n LYS 605 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1hqm n LYS 605 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1hqm n LYS 605 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1hqm n VAL 606 N 0.00 0.00 -0.98 3.15 3.14 -1.26 -4.89 118.33 117.49 1hqm n VAL 606 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1hqm n VAL 606 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1hqm n VAL 606 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1hqm n ASP 607 N -0.31 -5.49 0.00 6.55 8.00 -1.26 -5.04 116.55 118.99 1hqm n ASP 607 Ca 0.00 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1hqm n ASP 607 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.96 1hqm n ASP 607 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hqm n GLY 608 N 0.21 1.07 0.07 0.44 0.00 -1.26 -4.89 105.19 100.83 1hqm n GLY 608 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1hqm n GLY 608 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hqm n THR 609 N 0.00 0.00 -3.15 2.61 -1.04 -1.26 -4.85 114.28 106.59 1hqm n THR 609 Ca 0.00 -0.24 0.05 0.00 -2.04 0.00 0.00 64.05 61.82 1hqm n THR 609 Cb 0.00 1.04 -0.01 0.00 -1.82 0.00 0.00 70.33 69.54 1hqm n THR 609 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1hqm s ARG 610 N -2.05 0.28 -0.36 -2.82 3.00 -1.26 -0.24 118.95 115.50 1hqm s ARG 610 Ca 0.06 0.38 -0.37 0.00 0.00 0.00 0.00 55.73 55.80 1hqm s ARG 610 Cb 0.10 0.20 -0.13 0.00 0.00 0.00 0.00 34.95 35.11 1hqm s ARG 610 CO 0.47 -0.41 2.11 -0.89 0.00 0.00 0.00 175.30 176.58 1hqm n ILE 611 N 5.33 0.18 -2.43 1.52 -0.00 -0.42 -4.57 119.36 118.98 1hqm n ILE 611 Ca 0.02 -0.18 -0.37 0.00 -0.00 0.00 0.00 62.75 62.21 1hqm n ILE 611 Cb 0.55 -1.40 -0.03 0.00 -0.00 0.00 0.00 39.64 38.76 1hqm n ILE 611 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1hqm s ALA 612 N 6.49 3.09 0.00 -1.39 0.00 -1.26 -1.83 121.76 126.85 1hqm s ALA 612 Ca 1.09 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1hqm s ALA 612 Cb -0.99 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 18.81 1hqm s ALA 612 CO 0.54 -0.36 0.00 0.28 0.00 0.00 0.00 175.76 176.22 1hqm n VAL 613 N -0.08 0.00 -0.32 0.00 0.31 -1.03 -3.76 118.33 113.44 1hqm n VAL 613 Ca 0.05 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.60 1hqm n VAL 613 Cb 0.48 0.00 0.49 0.00 -0.91 0.00 0.00 33.84 33.91 1hqm n VAL 613 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1hqm h ARG 614 N 0.00 0.41 0.00 5.55 3.08 -1.74 -3.40 114.38 118.28 1hqm h ARG 614 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1hqm h ARG 614 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1hqm h ARG 614 CO 0.00 0.27 0.00 2.48 -1.07 0.00 0.00 179.97 181.65 1hqm n TYR 615 N -4.65 0.00 -2.32 3.04 0.18 -1.26 -0.88 117.16 111.27 1hqm n TYR 615 Ca 0.25 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.63 1hqm n TYR 615 Cb 0.85 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.79 1hqm n TYR 615 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1hqm s GLU 616 N -0.26 3.12 0.00 -3.48 -1.05 -1.24 -4.59 118.70 111.19 1hqm s GLU 616 Ca 0.00 0.39 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1hqm s GLU 616 Cb 0.00 -4.20 0.00 0.00 -0.44 0.00 0.00 34.13 29.49 1hqm s GLU 616 CO 0.00 -2.16 0.00 -0.40 0.95 0.00 0.00 175.26 173.65 1hqm n ASP 617 N 10.32 0.00 0.00 0.83 5.68 -1.26 -4.53 116.55 127.59 1hqm n ASP 617 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.42 1hqm n ASP 617 Cb 0.50 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1hqm n ASP 617 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hqm n GLY 618 N 0.00 0.85 3.15 6.12 0.00 -1.26 -5.11 105.19 108.94 1hqm n GLY 618 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1hqm n GLY 618 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hqm s ARG 619 N 0.26 0.05 -0.06 1.61 6.06 -1.26 -4.77 118.95 120.83 1hqm s ARG 619 Ca 0.00 0.05 -0.01 0.00 -2.50 0.00 0.00 55.73 53.27 1hqm s ARG 619 Cb 0.00 0.02 0.03 0.00 0.06 0.00 0.00 34.95 35.06 1hqm s ARG 619 CO 0.00 -0.08 -0.01 -0.51 -2.50 0.00 0.00 175.30 172.20 1hqm s LEU 620 N 2.99 0.78 0.48 -0.88 1.02 -1.26 -5.02 118.68 116.78 1hqm s LEU 620 Ca 0.27 -0.08 -0.14 0.00 0.02 0.00 0.00 54.13 54.19 1hqm s LEU 620 Cb -0.01 -0.42 -0.07 0.00 0.02 0.00 0.00 46.19 45.71 1hqm s LEU 620 CO -0.20 -0.16 0.91 -0.69 0.02 0.00 0.00 176.35 176.23 1hqm s VAL 621 N 1.68 4.63 -0.22 -1.59 1.01 -1.26 -2.47 120.40 122.18 1hqm s VAL 621 Ca 0.01 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1hqm s VAL 621 Cb -0.13 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1hqm s VAL 621 CO -0.04 -0.65 -0.00 -1.00 0.00 0.00 0.00 175.10 173.41 1hqm s HIS 623 N -2.56 1.75 0.60 5.22 3.76 -0.76 -4.80 115.29 118.51 1hqm s HIS 623 Ca 0.56 -1.37 -0.14 0.00 -0.15 0.00 0.00 55.06 53.96 1hqm s HIS 623 Cb -0.10 -1.36 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 1hqm s HIS 623 CO 0.32 -0.71 1.03 -2.14 -0.85 0.00 0.00 174.74 172.40 1hqm s PRO 624 N 1.61 3.43 -0.24 8.40 0.02 -1.26 -1.29 135.00 145.67 1hqm s PRO 624 Ca -0.02 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.00 1hqm s PRO 624 Cb -0.18 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.32 1hqm s PRO 624 CO -0.08 -0.70 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.25 1hqm s LEU 625 N -4.79 3.02 0.21 -5.54 1.43 0.67 -4.82 118.68 108.86 1hqm s LEU 625 Ca 0.59 -1.04 -0.32 0.00 -1.03 0.00 0.00 54.13 52.33 1hqm s LEU 625 Cb -0.13 -1.57 -0.14 0.00 0.03 0.00 0.00 46.19 44.38 1hqm s LEU 625 CO 0.43 -0.12 1.32 0.54 0.23 0.00 0.00 176.35 178.75 1hqm n ARG 626 N 4.55 1.68 -4.22 1.70 1.74 -1.26 -4.86 116.66 116.00 1hqm n ARG 626 Ca -0.17 0.60 -0.20 0.00 -0.77 0.00 0.00 57.85 57.31 1hqm n ARG 626 Cb 0.46 -2.20 -0.16 0.00 -1.02 0.00 0.00 32.46 29.53 1hqm n ARG 626 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1hqm s ARG 627 N -0.30 0.91 -1.47 5.56 6.06 -1.26 -2.40 118.95 126.05 1hqm s ARG 627 Ca 0.71 -0.14 -0.01 0.00 -2.50 0.00 0.00 55.73 53.79 1hqm s ARG 627 Cb -0.74 -0.88 0.01 0.00 0.06 0.00 0.00 34.95 33.40 1hqm s ARG 627 CO 0.50 -0.06 0.28 0.66 -2.50 0.00 0.00 175.30 174.17 1hqm n TYR 628 N 3.98 -1.51 0.00 5.12 4.02 -1.26 -4.94 117.16 122.57 1hqm n TYR 628 Ca -0.25 0.70 0.00 0.00 -0.01 0.00 0.00 57.90 58.34 1hqm n TYR 628 Cb 0.51 -3.37 0.00 0.00 -0.02 0.00 0.00 39.34 36.46 1hqm n TYR 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1hqm n ALA 629 N -4.46 0.00 -3.48 -0.72 0.00 -1.24 -4.97 120.51 105.63 1hqm n ALA 629 Ca -0.31 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1hqm n ALA 629 Cb 0.68 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.01 1hqm n ALA 629 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1hqm s ARG 630 N 0.00 0.19 0.11 0.00 3.03 -1.26 -4.61 118.95 116.41 1hqm s ARG 630 Ca 0.00 0.40 0.01 0.00 2.03 0.00 0.00 55.73 58.17 1hqm s ARG 630 Cb 0.00 -0.05 -0.04 0.00 -1.03 0.00 0.00 34.95 33.84 1hqm s ARG 630 CO 0.00 -0.11 0.26 -1.12 -1.13 0.00 0.00 175.30 173.20 1hqm s SER 631 N 0.80 6.36 0.48 -2.89 0.01 -1.26 -4.83 113.70 112.37 1hqm s SER 631 Ca -0.06 0.25 0.27 0.00 1.31 0.00 0.00 55.95 57.71 1hqm s SER 631 Cb -0.07 -1.95 1.33 0.00 0.21 0.00 0.00 66.02 65.54 1hqm s SER 631 CO -0.05 0.10 1.84 0.78 0.41 0.00 0.00 173.24 176.32 1hqm h ASN 632 N 2.58 0.19 0.05 2.44 -0.26 -1.86 1.25 115.58 119.96 1hqm h ASN 632 Ca -0.47 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.30 1hqm h ASN 632 Cb 1.18 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.43 1hqm h ASN 632 CO 0.72 0.05 -0.21 0.00 -1.06 0.00 0.00 177.43 176.94 1hqm n GLN 633 N -4.38 1.47 -2.30 0.81 1.13 -1.26 -4.95 117.38 107.90 1hqm n GLN 633 Ca 0.21 -1.07 -0.01 0.00 -1.94 0.00 0.00 57.00 54.19 1hqm n GLN 633 Cb 0.94 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.82 1hqm n GLN 633 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1hqm n GLY 634 N 1.33 0.61 0.04 1.08 0.00 0.43 -4.98 105.19 103.70 1hqm n GLY 634 Ca 0.13 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1hqm n GLY 634 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1hqm n THR 635 N -1.83 0.23 -3.38 2.61 -1.04 -1.26 -4.37 114.28 105.22 1hqm n THR 635 Ca -0.01 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.05 61.62 1hqm n THR 635 Cb 0.51 0.06 0.04 0.00 -1.82 0.00 0.00 70.33 69.11 1hqm n THR 635 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1hqm n ALA 636 N -1.76 -2.55 -2.58 2.41 0.00 -1.26 -4.66 120.51 110.11 1hqm n ALA 636 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1hqm n ALA 636 Cb 0.42 -3.56 -0.06 0.00 0.00 0.00 0.00 19.45 16.25 1hqm n ALA 636 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hqm s PHE 637 N -3.26 3.14 0.30 0.00 -0.12 -1.26 -4.83 117.98 111.95 1hqm s PHE 637 Ca 0.29 0.47 0.09 0.00 -0.05 0.00 0.00 56.93 57.72 1hqm s PHE 637 Cb -0.07 -3.25 -0.06 0.00 -0.63 0.00 0.00 43.02 39.01 1hqm s PHE 637 CO 0.80 -0.66 -0.10 -0.51 -0.05 0.00 0.00 175.22 174.69 1hqm s ASP 638 N 1.80 3.28 0.16 1.98 -0.00 -1.26 -3.71 116.67 118.93 1hqm s ASP 638 Ca 0.28 -1.16 0.06 0.00 -0.00 0.00 0.00 52.55 51.73 1hqm s ASP 638 Cb -0.14 -0.26 -0.04 0.00 -0.00 0.00 0.00 42.92 42.48 1hqm s ASP 638 CO 0.15 -0.22 0.07 -1.10 -0.00 0.00 0.00 175.17 174.07 1hqm s GLN 639 N -3.64 2.67 -0.04 8.23 -0.21 -1.01 -3.22 119.66 122.43 1hqm s GLN 639 Ca 0.30 -0.97 0.07 0.00 0.02 0.00 0.00 55.36 54.78 1hqm s GLN 639 Cb 0.02 -2.52 -0.02 0.00 1.00 0.00 0.00 33.01 31.50 1hqm s GLN 639 CO 0.14 0.48 -0.24 0.50 -2.12 0.00 0.00 175.29 174.04 1hqm s ARG 640 N -2.99 2.37 -0.40 2.91 3.52 -1.24 -4.92 118.95 118.21 1hqm s ARG 640 Ca 0.29 -0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 1hqm s ARG 640 Cb -0.10 -2.13 0.02 0.00 -1.56 0.00 0.00 34.95 31.18 1hqm s ARG 640 CO 0.21 0.47 1.13 -1.25 -0.81 0.00 0.00 175.30 175.05 1hqm s PRO 641 N -0.39 3.87 -0.35 5.12 0.04 -1.26 -1.32 135.00 140.72 1hqm s PRO 641 Ca 0.03 0.82 0.01 0.00 0.04 0.00 0.00 61.00 61.91 1hqm s PRO 641 Cb -0.12 -3.84 0.09 0.00 0.04 0.00 0.00 34.50 30.68 1hqm s PRO 641 CO 0.01 -1.17 0.07 0.50 0.04 0.00 0.00 177.00 176.45 1hqm s ARG 642 N 4.12 1.82 0.00 4.56 3.52 -1.26 -4.83 118.95 126.88 1hqm s ARG 642 Ca 0.48 -1.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 1hqm s ARG 642 Cb -0.10 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1hqm s ARG 642 CO 0.24 -0.90 0.00 0.28 -0.81 0.00 0.00 175.30 174.11 1hqm n VAL 643 N 4.41 0.00 -0.02 7.11 0.31 -1.26 -1.35 118.33 127.53 1hqm n VAL 643 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.29 1hqm n VAL 643 Cb 0.42 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.34 1hqm n VAL 643 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1hqm n ARG 644 N -1.01 0.11 -2.90 5.55 0.63 -1.26 -4.94 116.66 112.84 1hqm n ARG 644 Ca 0.00 0.05 -0.05 0.00 -0.92 0.00 0.00 57.85 56.93 1hqm n ARG 644 Cb 0.00 -0.71 -0.00 0.00 0.45 0.00 0.00 32.46 32.20 1hqm n ARG 644 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1hqm s VAL 645 N -1.40 -0.88 0.00 5.15 1.01 -1.26 -4.84 120.40 118.18 1hqm s VAL 645 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1hqm s VAL 645 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.27 1hqm s VAL 645 CO 0.09 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1hqm n GLY 646 N 3.22 5.58 0.00 4.51 0.00 -1.26 -4.98 105.19 112.27 1hqm n GLY 646 Ca 0.18 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1hqm n GLY 646 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hqm n GLN 647 N 0.00 3.12 0.00 1.61 3.00 -1.26 -2.50 117.38 121.35 1hqm n GLN 647 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1hqm n GLN 647 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1hqm n GLN 647 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1hqm n ARG 648 N 0.00 0.00 -4.39 -1.09 0.63 -1.25 -3.99 116.66 106.56 1hqm n ARG 648 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1hqm n ARG 648 Cb 0.00 -0.01 -0.10 0.00 0.45 0.00 0.00 32.46 32.80 1hqm n ARG 648 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1hqm s VAL 649 N 0.00 1.91 -0.51 5.15 -7.23 -1.26 -4.67 120.40 113.78 1hqm s VAL 649 Ca 0.00 -2.24 0.07 0.00 -1.81 0.00 0.00 61.98 58.00 1hqm s VAL 649 Cb 0.00 -2.19 0.34 0.00 0.56 0.00 0.00 36.38 35.09 1hqm s VAL 649 CO 0.00 -0.49 0.87 0.29 -0.31 0.00 0.00 175.10 175.46 1hqm n LYS 650 N -0.48 2.47 -0.56 4.82 4.76 -1.26 -4.70 118.16 123.19 1hqm n LYS 650 Ca -0.07 -4.37 0.00 0.00 -2.87 0.00 0.00 58.31 51.01 1hqm n LYS 650 Cb 0.61 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1hqm n LYS 650 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1hqm n LYS 651 N -0.02 0.00 0.00 1.97 0.00 -1.26 -4.94 118.16 113.90 1hqm n LYS 651 Ca 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1hqm n LYS 651 Cb 0.48 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 33.77 1hqm n LYS 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1hqm n GLY 652 N -2.56 2.43 2.30 2.58 0.00 -1.26 -5.04 105.19 103.63 1hqm n GLY 652 Ca 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1hqm n GLY 652 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hqm n ASP 653 N 0.00 6.39 -0.60 1.61 5.68 -1.26 -4.70 116.55 123.68 1hqm n ASP 653 Ca 0.00 -2.89 0.48 0.00 -0.50 0.00 0.00 54.79 51.88 1hqm n ASP 653 Cb 0.00 -1.34 0.80 0.00 -1.14 0.00 0.00 41.12 39.44 1hqm n ASP 653 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1hqm h LEU 654 N 4.73 0.02 -3.35 -2.12 5.85 -1.90 -3.38 115.31 115.17 1hqm h LEU 654 Ca 0.39 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.87 1hqm h LEU 654 Cb 0.92 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1hqm h LEU 654 CO 0.79 -0.02 -0.48 -0.11 -0.34 0.00 0.00 178.44 178.28 1hqm n LEU 655 N -4.06 -0.34 -0.68 2.25 0.00 -1.26 -4.19 117.00 108.73 1hqm n LEU 655 Ca 0.40 -0.55 0.00 0.00 0.00 0.00 0.00 56.01 55.86 1hqm n LEU 655 Cb 1.79 -0.73 0.00 0.00 0.00 0.00 0.00 43.42 44.49 1hqm n LEU 655 CO 0.42 0.31 -0.01 0.00 0.00 0.00 0.00 177.39 178.10 1hqm n ALA 656 N -2.32 -2.97 -1.00 1.96 0.00 -0.46 -4.41 120.51 111.31 1hqm n ALA 656 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1hqm n ALA 656 Cb 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1hqm n ALA 656 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hqm n ASP 657 N 0.06 -1.32 0.00 0.00 8.00 -0.43 -3.18 116.55 119.67 1hqm n ASP 657 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1hqm n ASP 657 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1hqm n ASP 657 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hqm n GLY 658 N 0.00 3.91 0.00 0.44 0.00 -1.26 -3.59 105.19 104.69 1hqm n GLY 658 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1hqm n GLY 658 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hqm n PRO 659 N 0.00 0.00 -2.52 1.61 -0.04 -1.20 -4.05 135.00 128.81 1hqm n PRO 659 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1hqm n PRO 659 Cb 0.00 -0.40 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1hqm n PRO 659 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hqm n ALA 660 N -2.03 5.51 -3.69 0.55 0.00 -1.26 -4.78 120.51 114.80 1hqm n ALA 660 Ca 0.00 -4.45 -0.24 0.00 0.00 0.00 0.00 53.44 48.76 1hqm n ALA 660 Cb 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 19.45 18.01 1hqm n ALA 660 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hqm s SER 661 N -2.50 1.63 1.10 0.00 1.04 -1.26 0.45 113.70 114.16 1hqm s SER 661 Ca 0.47 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.53 1hqm s SER 661 Cb 0.33 -0.66 0.24 0.00 0.10 0.00 0.00 66.02 66.03 1hqm s SER 661 CO -0.21 -0.08 1.10 -0.70 0.98 0.00 0.00 173.24 174.33 1hqm s GLU 662 N 1.27 -0.37 -0.29 4.02 2.12 -0.10 -4.41 118.70 120.93 1hqm s GLU 662 Ca -0.04 0.25 -0.03 0.00 0.36 0.00 0.00 54.97 55.51 1hqm s GLU 662 Cb -0.14 -1.67 -0.10 0.00 0.26 0.00 0.00 34.13 32.49 1hqm s GLU 662 CO -0.02 -3.21 0.85 0.39 -0.54 0.00 0.00 175.26 172.72 1hqm n GLU 663 N -4.47 0.00 0.00 4.30 1.02 -1.26 -0.64 120.64 119.60 1hqm n GLU 663 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1hqm n GLU 663 Cb 0.58 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 1hqm n GLU 663 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hqm n GLY 664 N 2.59 2.06 3.74 0.62 0.00 -1.26 -4.97 105.19 107.96 1hqm n GLY 664 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1hqm n GLY 664 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hqm s PHE 665 N -1.15 3.43 -0.05 1.61 2.99 0.19 -4.65 117.98 120.35 1hqm s PHE 665 Ca 0.00 0.38 -0.37 0.00 0.00 0.00 0.00 56.93 56.95 1hqm s PHE 665 Cb 0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 43.02 40.71 1hqm s PHE 665 CO 0.00 0.32 1.64 -0.11 -0.00 0.00 0.00 175.22 177.07 1hqm n LEU 666 N 3.40 2.59 -3.64 -0.37 7.94 0.17 -0.92 117.00 126.17 1hqm n LEU 666 Ca -0.16 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.51 1hqm n LEU 666 Cb 0.52 -1.27 -0.13 0.00 0.53 0.00 0.00 43.42 43.08 1hqm n LEU 666 CO 0.37 -0.47 -0.27 0.00 -1.11 0.00 0.00 177.39 175.91 1hqm s ALA 667 N 2.35 1.83 -0.00 1.96 0.00 0.17 -4.60 121.76 123.46 1hqm s ALA 667 Ca 0.89 -2.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.32 1hqm s ALA 667 Cb -0.87 -1.81 -0.07 0.00 0.00 0.00 0.00 23.12 20.38 1hqm s ALA 667 CO 0.52 -2.07 0.76 -0.07 0.00 0.00 0.00 175.76 174.89 1hqm h LEU 668 N 6.76 -0.36 0.00 0.00 3.38 -1.71 -3.36 115.31 120.02 1hqm h LEU 668 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1hqm h LEU 668 Cb 0.94 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1hqm h LEU 668 CO 0.42 -0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.42 1hqm n GLY 669 N 0.00 5.55 3.47 0.83 0.00 -1.26 -4.61 105.19 109.17 1hqm n GLY 669 Ca -0.05 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 1hqm n GLY 669 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqm s GLN 670 N 1.89 2.26 -0.14 1.61 -0.21 -1.14 -4.09 119.66 119.84 1hqm s GLN 670 Ca 0.00 -0.86 -0.07 0.00 0.02 0.00 0.00 55.36 54.44 1hqm s GLN 670 Cb 0.00 -2.28 -0.04 0.00 1.00 0.00 0.00 33.01 31.69 1hqm s GLN 670 CO 0.00 0.57 0.13 0.54 -2.12 0.00 0.00 175.29 174.42 1hqm s ASN 671 N -1.18 6.29 0.24 5.90 2.20 -1.26 -1.32 114.94 125.81 1hqm s ASN 671 Ca 0.14 0.40 0.01 0.00 -0.94 0.00 0.00 52.86 52.46 1hqm s ASN 671 Cb -0.11 -2.05 -0.04 0.00 -2.00 0.00 0.00 41.25 37.05 1hqm s ASN 671 CO 0.04 0.35 0.15 0.54 -2.94 0.00 0.00 177.10 175.24 1hqm s VAL 672 N -0.69 0.13 0.03 3.54 0.11 -1.25 -4.90 120.40 117.38 1hqm s VAL 672 Ca 0.13 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 56.99 1hqm s VAL 672 Cb -0.12 -2.52 -0.06 0.00 -1.53 0.00 0.00 36.38 32.15 1hqm s VAL 672 CO 0.03 0.00 0.57 -0.22 -3.33 0.00 0.00 175.10 172.14 1hqm s LEU 673 N -3.24 4.48 -0.12 2.54 0.20 -1.26 0.54 118.68 121.82 1hqm s LEU 673 Ca 0.39 1.20 -0.11 0.00 0.69 0.00 0.00 54.13 56.29 1hqm s LEU 673 Cb 0.06 -2.89 0.03 0.00 -0.43 0.00 0.00 46.19 42.97 1hqm s LEU 673 CO 0.15 0.20 0.32 0.54 -0.29 0.00 0.00 176.35 177.28 1hqm s VAL 674 N -0.70 -0.00 0.19 1.68 0.11 0.99 -0.02 120.40 122.65 1hqm s VAL 674 Ca 0.29 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.38 1hqm s VAL 674 Cb -0.19 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.17 1hqm s VAL 674 CO 0.18 0.00 0.32 0.00 -3.33 0.00 0.00 175.10 172.27 1hqm s ALA 675 N 0.26 3.94 0.27 1.54 0.00 -1.19 0.34 121.76 126.93 1hqm s ALA 675 Ca -0.01 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.93 1hqm s ALA 675 Cb -0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1hqm s ALA 675 CO -0.00 0.42 0.36 0.42 0.00 0.00 0.00 175.76 176.95 1hqm s ILE 676 N -1.84 4.73 0.00 0.00 1.09 -0.89 -3.75 121.20 120.54 1hqm s ILE 676 Ca 0.35 -1.07 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 1hqm s ILE 676 Cb -0.10 -3.64 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1hqm s ILE 676 CO 0.29 -0.28 0.00 1.15 -0.10 0.00 0.00 174.94 176.00 1hqm n MET 677 N -1.44 0.00 -1.92 2.79 0.00 -1.10 -4.76 117.12 110.69 1hqm n MET 677 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.22 1hqm n MET 677 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.77 1hqm n MET 677 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1hqm s PRO 678 N -4.94 4.09 -0.52 3.17 0.04 -1.26 -4.47 135.00 131.10 1hqm s PRO 678 Ca 0.00 2.23 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 1hqm s PRO 678 Cb 0.00 -4.05 0.13 0.00 0.04 0.00 0.00 34.50 30.62 1hqm s PRO 678 CO 0.00 -0.97 0.44 0.12 0.04 0.00 0.00 177.00 176.63 1hqm s PHE 679 N 4.45 3.33 -0.06 0.56 5.36 -1.26 -4.74 117.98 125.61 1hqm s PHE 679 Ca 0.78 -1.55 -0.01 0.00 -0.96 0.00 0.00 56.93 55.19 1hqm s PHE 679 Cb -0.35 -3.68 0.01 0.00 -0.34 0.00 0.00 43.02 38.67 1hqm s PHE 679 CO 0.33 -1.01 0.02 -0.25 -1.46 0.00 0.00 175.22 172.85 1hqm n ASP 680 N 5.08 -0.59 0.00 6.13 9.92 -1.26 0.15 116.55 135.98 1hqm n ASP 680 Ca -0.11 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1hqm n ASP 680 Cb 0.40 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 1hqm n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1hqm n GLY 681 N -0.31 3.17 0.33 0.44 0.00 -1.26 -4.88 105.19 102.68 1hqm n GLY 681 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1hqm n GLY 681 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1hqm h TYR 682 N 0.00 0.00 -1.65 1.61 0.05 -0.68 0.16 116.97 116.45 1hqm h TYR 682 Ca 0.00 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.16 1hqm h TYR 682 Cb 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.35 1hqm h TYR 682 CO 0.00 0.00 -0.41 0.27 -1.05 0.00 0.00 178.16 176.97 1hqm n ASN 683 N -3.21 5.19 -4.74 3.88 0.23 -1.24 -4.37 115.26 110.99 1hqm n ASN 683 Ca -0.02 -3.74 -0.40 0.00 -0.53 0.00 0.00 54.58 49.89 1hqm n ASN 683 Cb 0.17 -0.57 -0.05 0.00 -2.08 0.00 0.00 39.78 37.24 1hqm n ASN 683 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1hqm s PHE 684 N -3.63 3.90 0.00 -2.53 5.36 0.56 -4.55 117.98 117.08 1hqm s PHE 684 Ca 0.49 1.86 0.00 0.00 -0.96 0.00 0.00 56.93 58.32 1hqm s PHE 684 Cb 0.40 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 1hqm s PHE 684 CO -0.22 0.29 0.00 0.39 -1.46 0.00 0.00 175.22 174.22 1hqm n GLU 685 N 1.91 0.00 0.00 10.12 -0.58 -1.26 -2.31 120.64 128.52 1hqm n GLU 685 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1hqm n GLU 685 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 1hqm n GLU 685 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1hqm n ASP 686 N 2.49 0.01 -4.77 1.62 9.92 -1.26 -4.70 116.55 119.85 1hqm n ASP 686 Ca 0.00 -0.13 -0.41 0.00 -0.53 0.00 0.00 54.79 53.72 1hqm n ASP 686 Cb 0.00 0.07 0.01 0.00 -0.64 0.00 0.00 41.12 40.55 1hqm n ASP 686 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1hqm n ALA 687 N -0.07 2.19 -2.84 2.24 0.00 -0.98 -4.24 120.51 116.82 1hqm n ALA 687 Ca 0.00 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1hqm n ALA 687 Cb 0.02 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 1hqm n ALA 687 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hqm s ILE 688 N -1.16 4.46 0.36 0.00 -1.09 -1.25 -3.98 121.20 118.55 1hqm s ILE 688 Ca 0.57 -0.16 -0.14 0.00 -2.23 0.00 0.00 60.65 58.69 1hqm s ILE 688 Cb -0.46 -2.97 -0.08 0.00 -1.58 0.00 0.00 42.46 37.37 1hqm s ILE 688 CO 0.61 0.50 0.77 -0.69 -1.23 0.00 0.00 174.94 174.90 1hqm s VAL 689 N 0.08 4.68 0.03 2.92 1.01 -1.26 -2.64 120.40 125.22 1hqm s VAL 689 Ca 0.03 0.91 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1hqm s VAL 689 Cb -0.13 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1hqm s VAL 689 CO 0.01 -0.31 -0.11 -0.63 0.00 0.00 0.00 175.10 174.06 1hqm s ILE 690 N -2.14 0.89 -0.30 2.22 -1.09 -0.66 -1.74 121.20 118.39 1hqm s ILE 690 Ca 0.54 -0.89 -0.26 0.00 -2.23 0.00 0.00 60.65 57.81 1hqm s ILE 690 Cb -0.10 -0.82 0.01 0.00 -1.58 0.00 0.00 42.46 39.96 1hqm s ILE 690 CO 0.21 -0.05 0.94 -0.55 -1.23 0.00 0.00 174.94 174.26 1hqm s SER 691 N -1.05 6.83 0.38 3.58 0.15 -0.54 -0.10 113.70 122.95 1hqm s SER 691 Ca -0.01 0.93 0.23 0.00 0.70 0.00 0.00 55.95 57.80 1hqm s SER 691 Cb -0.07 -2.48 1.36 0.00 -1.71 0.00 0.00 66.02 63.11 1hqm s SER 691 CO 0.01 -0.73 1.54 1.21 1.20 0.00 0.00 173.24 176.47 1hqm n GLU 692 N 6.48 -0.05 -0.34 5.44 2.13 0.11 -1.16 120.64 133.24 1hqm n GLU 692 Ca 0.08 1.32 -0.00 0.00 0.66 0.00 0.00 57.16 59.22 1hqm n GLU 692 Cb 0.47 -2.43 0.04 0.00 0.27 0.00 0.00 31.44 29.80 1hqm n GLU 692 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1hqm n GLU 693 N -5.09 -0.20 -0.24 5.31 4.07 -1.26 0.73 120.64 123.96 1hqm n GLU 693 Ca 0.38 1.37 0.32 0.00 -0.06 0.00 0.00 57.16 59.16 1hqm n GLU 693 Cb 1.33 -2.03 0.64 0.00 -0.06 0.00 0.00 31.44 31.31 1hqm n GLU 693 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1hqm h LEU 694 N 0.00 0.00 0.11 4.31 3.38 -1.53 0.72 115.31 122.30 1hqm h LEU 694 Ca 0.32 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.95 1hqm h LEU 694 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1hqm h LEU 694 CO -0.88 0.00 -1.80 -0.07 0.09 0.00 0.00 178.44 175.78 1hqm h LEU 695 N 0.00 0.35 -2.37 1.67 3.38 0.10 -0.87 115.31 117.57 1hqm h LEU 695 Ca 0.51 -0.86 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1hqm h LEU 695 Cb 2.50 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 43.14 1hqm h LEU 695 CO -0.01 1.77 -0.03 0.11 0.09 0.00 0.00 178.44 180.37 1hqm h LYS 696 N -0.15 0.00 -0.67 1.13 1.57 0.65 -1.23 116.57 117.86 1hqm h LYS 696 Ca -0.40 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.08 1hqm h LYS 696 Cb 1.88 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 34.01 1hqm h LYS 696 CO 0.04 0.03 0.28 -2.13 -0.57 0.00 0.00 179.45 177.10 1hqm n ARG 697 N -3.66 2.45 -3.93 3.15 0.63 0.74 -4.96 116.66 111.08 1hqm n ARG 697 Ca -0.03 -3.08 -0.25 0.00 -0.92 0.00 0.00 57.85 53.58 1hqm n ARG 697 Cb 0.13 -2.04 -0.08 0.00 0.45 0.00 0.00 32.46 30.92 1hqm n ARG 697 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1hqm n ASP 698 N -0.90 0.54 0.00 6.15 2.03 -0.47 -4.94 116.55 118.96 1hqm n ASP 698 Ca 0.44 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.75 1hqm n ASP 698 Cb 1.34 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1hqm n ASP 698 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1hqm n PHE 699 N -3.77 0.00 0.00 -0.67 3.01 -0.33 -4.36 117.46 111.34 1hqm n PHE 699 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 1hqm n PHE 699 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1hqm n PHE 699 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1hqm n TYR 700 N 0.00 0.00 -1.73 1.38 0.53 -1.26 -4.66 117.16 111.43 1hqm n TYR 700 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.46 1hqm n TYR 700 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.28 1hqm n TYR 700 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1hqm s THR 701 N -1.37 2.87 -0.02 -0.72 -4.23 -1.20 -4.56 115.64 106.42 1hqm s THR 701 Ca 0.00 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.68 1hqm s THR 701 Cb 0.00 -3.07 -0.02 0.00 1.34 0.00 0.00 72.50 70.76 1hqm s THR 701 CO 0.00 -0.01 -0.21 -0.94 -0.54 0.00 0.00 174.62 172.92 1hqm s SER 702 N 3.58 2.46 -0.29 3.99 1.04 -1.26 -3.57 113.70 119.65 1hqm s SER 702 Ca 0.84 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 56.80 1hqm s SER 702 Cb -0.43 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 1hqm s SER 702 CO 0.38 0.26 0.13 -0.63 0.98 0.00 0.00 173.24 174.36 1hqm s ILE 703 N -0.49 4.58 -0.07 -1.02 1.01 -1.26 0.02 121.20 123.98 1hqm s ILE 703 Ca 0.08 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.46 1hqm s ILE 703 Cb -0.08 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 1hqm s ILE 703 CO -0.01 0.15 -0.20 -1.00 0.00 0.00 0.00 174.94 173.88 1hqm s HIS 704 N 1.62 2.57 -0.19 3.97 3.76 0.36 -4.18 115.29 123.22 1hqm s HIS 704 Ca 0.05 -0.54 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 1hqm s HIS 704 Cb -0.16 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 1hqm s HIS 704 CO 0.06 -0.09 -0.09 0.96 -0.85 0.00 0.00 174.74 174.72 1hqm s ILE 705 N -0.25 3.07 0.46 0.60 -5.25 -1.26 0.44 121.20 119.01 1hqm s ILE 705 Ca -0.00 -0.61 -0.00 0.00 -0.99 0.00 0.00 60.65 59.04 1hqm s ILE 705 Cb -0.13 -2.35 0.09 0.00 2.95 0.00 0.00 42.46 43.02 1hqm s ILE 705 CO 0.03 0.47 0.63 1.21 -1.79 0.00 0.00 174.94 175.50 1hqm n GLU 706 N 4.37 0.14 -3.28 0.37 4.07 0.46 -4.81 120.64 121.95 1hqm n GLU 706 Ca -0.19 -1.71 -0.08 0.00 -0.06 0.00 0.00 57.16 55.13 1hqm n GLU 706 Cb 0.51 -0.43 -0.04 0.00 -0.06 0.00 0.00 31.44 31.42 1hqm n GLU 706 CO 0.00 0.00 0.00 -0.98 -0.06 0.00 0.00 177.13 176.09 1hqm s ARG 707 N -4.11 0.70 0.34 5.31 1.70 -1.26 -1.67 118.95 119.95 1hqm s ARG 707 Ca 0.42 -0.47 -0.21 0.00 -0.47 0.00 0.00 55.73 55.00 1hqm s ARG 707 Cb -0.02 -0.30 -0.10 0.00 -0.57 0.00 0.00 34.95 33.96 1hqm s ARG 707 CO 0.28 -1.18 0.87 0.71 -1.08 0.00 0.00 175.30 174.90 1hqm s TYR 708 N 1.75 3.50 0.22 5.89 1.51 -0.07 -4.84 117.35 125.30 1hqm s TYR 708 Ca 0.16 1.54 0.06 0.00 -1.01 0.00 0.00 57.07 57.82 1hqm s TYR 708 Cb -0.10 -2.77 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 1hqm s TYR 708 CO -0.08 0.10 -0.08 -2.00 -1.11 0.00 0.00 175.55 172.38 1hqm s GLU 709 N -2.59 1.34 -0.28 -0.62 2.12 -1.26 -1.14 118.70 116.27 1hqm s GLU 709 Ca 0.54 -1.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.05 1hqm s GLU 709 Cb -0.13 -0.92 0.08 0.00 0.26 0.00 0.00 34.13 33.42 1hqm s GLU 709 CO 0.18 0.06 0.73 0.42 -0.54 0.00 0.00 175.26 176.12 1hqm s ILE 710 N -3.15 0.00 0.03 -3.70 1.09 -0.61 -5.00 121.20 109.86 1hqm s ILE 710 Ca 0.24 0.00 0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1hqm s ILE 710 Cb 0.02 -1.00 -0.04 0.00 -1.06 0.00 0.00 42.46 40.39 1hqm s ILE 710 CO 0.07 0.00 -0.01 -1.61 -0.10 0.00 0.00 174.94 173.30 1hqm s GLU 711 N 1.26 2.68 -0.69 2.79 2.02 -1.26 -0.92 118.70 124.57 1hqm s GLU 711 Ca -0.07 -0.70 -0.11 0.00 0.02 0.00 0.00 54.97 54.11 1hqm s GLU 711 Cb -0.05 -2.60 0.18 0.00 0.10 0.00 0.00 34.13 31.76 1hqm s GLU 711 CO -0.14 0.59 0.59 0.00 0.02 0.00 0.00 175.26 176.32 1hqm s ALA 712 N -1.15 3.81 1.00 5.21 0.00 -1.10 -5.00 121.76 124.53 1hqm s ALA 712 Ca 0.21 -3.10 0.00 0.00 0.00 0.00 0.00 51.96 49.07 1hqm s ALA 712 Cb -0.12 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1hqm s ALA 712 CO 0.13 -2.15 0.00 0.54 0.00 0.00 0.00 175.76 174.28 1hqm n ARG 713 N 4.13 0.99 0.00 0.00 5.12 -1.26 -1.21 116.66 124.43 1hqm n ARG 713 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1hqm n ARG 713 Cb 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 1hqm n ARG 713 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1hqm n ASP 714 N -0.01 0.00 0.00 0.55 -0.08 -1.25 -3.25 116.55 112.51 1hqm n ASP 714 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1hqm n ASP 714 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1hqm n ASP 714 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1hqm n THR 715 N 0.00 0.00 -1.61 5.18 -1.04 -1.26 -4.39 114.28 111.16 1hqm n THR 715 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1hqm n THR 715 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1hqm n THR 715 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1hqm n LYS 716 N 0.00 0.32 0.00 -2.82 4.76 -1.26 -3.03 118.16 116.13 1hqm n LYS 716 Ca 0.00 -1.80 0.00 0.00 -2.87 0.00 0.00 58.31 53.64 1hqm n LYS 716 Cb 0.00 -3.86 0.00 0.00 -1.84 0.00 0.00 35.03 29.33 1hqm n LYS 716 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1hqm n LEU 717 N 18.79 0.00 0.00 -0.35 4.77 -1.26 -5.03 117.00 133.92 1hqm n LEU 717 Ca 0.42 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1hqm n LEU 717 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1hqm n LEU 717 CO 0.63 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1hqm n GLY 718 N -0.30 3.52 3.73 -0.72 0.00 -1.17 -4.61 105.19 105.65 1hqm n GLY 718 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1hqm n GLY 718 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1hqm s PRO 719 N -2.24 4.36 -0.28 1.61 0.04 -1.26 -4.53 135.00 132.69 1hqm s PRO 719 Ca 0.00 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.81 1hqm s PRO 719 Cb 0.00 -3.22 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 1hqm s PRO 719 CO 0.00 -0.32 1.45 -2.00 0.04 0.00 0.00 177.00 176.17 1hqm s GLU 720 N 0.38 3.81 0.04 4.56 2.12 -1.20 -4.78 118.70 123.63 1hqm s GLU 720 Ca 0.60 1.38 0.09 0.00 0.36 0.00 0.00 54.97 57.40 1hqm s GLU 720 Cb -0.36 -3.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.03 1hqm s GLU 720 CO 0.35 -1.27 -0.25 -0.98 -0.54 0.00 0.00 175.26 172.57 1hqm s ARG 721 N 4.51 1.87 -0.86 4.30 1.70 -1.22 -4.42 118.95 124.83 1hqm s ARG 721 Ca 0.64 -1.07 -0.20 0.00 -0.47 0.00 0.00 55.73 54.62 1hqm s ARG 721 Cb -0.20 -2.01 0.11 0.00 -0.57 0.00 0.00 34.95 32.28 1hqm s ARG 721 CO 0.27 0.52 1.10 0.42 -1.08 0.00 0.00 175.30 176.53 1hqm s ILE 722 N -0.79 4.57 0.29 4.99 1.01 -1.26 -2.21 121.20 127.80 1hqm s ILE 722 Ca 0.12 -1.20 0.06 0.00 0.00 0.00 0.00 60.65 59.63 1hqm s ILE 722 Cb -0.10 -4.77 -0.06 0.00 0.01 0.00 0.00 42.46 37.54 1hqm s ILE 722 CO 0.02 -1.51 -0.02 0.28 0.00 0.00 0.00 174.94 173.70 1hqm s THR 723 N 3.19 1.52 -2.05 2.92 -1.32 -1.20 -4.90 115.64 113.80 1hqm s THR 723 Ca 0.30 -2.08 0.23 0.00 -1.21 0.00 0.00 61.69 58.93 1hqm s THR 723 Cb -0.08 -2.55 0.62 0.00 -1.51 0.00 0.00 72.50 68.98 1hqm s THR 723 CO -0.04 -0.22 1.52 -2.11 -2.21 0.00 0.00 174.62 171.56 1hqm n ARG 724 N -0.62 2.67 -1.38 7.08 0.00 -1.26 -3.76 116.66 119.39 1hqm n ARG 724 Ca -0.05 -2.59 -0.35 0.00 -0.00 0.00 0.00 57.85 54.87 1hqm n ARG 724 Cb 0.64 -1.56 0.08 0.00 -0.00 0.00 0.00 32.46 31.62 1hqm n ARG 724 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1hqm n ASP 725 N 1.62 7.63 -4.68 2.89 5.68 -1.26 -4.82 116.55 123.62 1hqm n ASP 725 Ca 0.24 -3.79 -0.49 0.00 -0.50 0.00 0.00 54.79 50.25 1hqm n ASP 725 Cb 0.61 -0.97 -0.05 0.00 -1.14 0.00 0.00 41.12 39.58 1hqm n ASP 725 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1hqm n ILE 726 N -0.90 0.57 -1.70 2.12 -0.00 -1.26 -4.86 119.36 113.33 1hqm n ILE 726 Ca 0.62 -0.11 -0.43 0.00 -0.00 0.00 0.00 62.75 62.83 1hqm n ILE 726 Cb 0.65 -1.87 -0.01 0.00 -0.00 0.00 0.00 39.64 38.41 1hqm n ILE 726 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1hqm n PRO 727 N 6.71 2.13 0.00 0.38 -0.04 -1.26 -2.66 135.00 140.27 1hqm n PRO 727 Ca 0.23 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 1hqm n PRO 727 Cb 0.29 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 1hqm n PRO 727 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1hqm n HIS 728 N 0.52 0.00 0.00 0.54 8.25 -1.26 -4.68 115.22 118.59 1hqm n HIS 728 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1hqm n HIS 728 Cb 0.36 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1hqm n HIS 728 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1hqm n LEU 729 N 0.00 0.00 -0.26 2.41 7.94 -1.09 -3.79 117.00 122.22 1hqm n LEU 729 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1hqm n LEU 729 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 1hqm n LEU 729 CO 0.00 0.00 0.74 0.77 -1.11 0.00 0.00 177.39 177.79 1hqm h SER 730 N 0.37 -0.62 0.00 1.96 4.64 -1.83 -3.33 113.55 114.73 1hqm h SER 730 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1hqm h SER 730 Cb 0.00 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1hqm h SER 730 CO 0.00 -0.23 0.00 -0.62 -0.87 0.00 0.00 176.83 175.11 1hqm n GLU 731 N -5.46 0.00 -1.76 4.77 1.02 -1.25 -2.58 120.64 115.37 1hqm n GLU 731 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1hqm n GLU 731 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 1hqm n GLU 731 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1hqm n ALA 732 N 0.00 -0.63 -0.02 0.62 0.00 -1.26 -4.62 120.51 114.60 1hqm n ALA 732 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1hqm n ALA 732 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 1hqm n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqm n ALA 733 N -1.60 0.20 0.00 0.00 0.00 -1.07 -4.22 120.51 113.82 1hqm n ALA 733 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1hqm n ALA 733 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1hqm n ALA 733 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hqm n LEU 734 N -2.94 0.00 -0.71 0.00 4.77 -1.25 0.23 117.00 117.10 1hqm n LEU 734 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1hqm n LEU 734 Cb 0.12 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 1hqm n LEU 734 CO 0.05 0.00 0.43 0.54 -1.33 0.00 0.00 177.39 177.08 1hqm n ARG 735 N 0.00 1.78 0.00 3.23 1.74 -1.26 -2.33 116.66 119.82 1hqm n ARG 735 Ca 0.00 -0.69 0.14 0.00 -0.77 0.00 0.00 57.85 56.53 1hqm n ARG 735 Cb 0.00 -1.56 0.71 0.00 -1.02 0.00 0.00 32.46 30.60 1hqm n ARG 735 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1hqm n ASP 736 N 0.11 0.00 -0.86 0.55 -0.08 0.64 -4.76 116.55 112.16 1hqm n ASP 736 Ca 0.06 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1hqm n ASP 736 Cb 0.40 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1hqm n ASP 736 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1hqm n LEU 737 N -1.34 0.00 -3.07 -2.67 4.77 -0.97 -5.03 117.00 108.69 1hqm n LEU 737 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1hqm n LEU 737 Cb 0.26 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1hqm n LEU 737 CO 0.24 0.00 -0.17 0.47 -1.33 0.00 0.00 177.39 176.60 1hqm n ASP 738 N -0.65 -7.10 -4.66 -1.43 9.92 -1.21 -4.70 116.55 106.72 1hqm n ASP 738 Ca 0.00 0.43 -0.41 0.00 -0.53 0.00 0.00 54.79 54.28 1hqm n ASP 738 Cb 0.00 -3.92 -0.05 0.00 -0.64 0.00 0.00 41.12 36.52 1hqm n ASP 738 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1hqm s GLU 739 N -2.30 4.24 -1.56 -1.24 2.56 -0.62 -4.11 118.70 115.68 1hqm s GLU 739 Ca 0.24 0.87 -0.04 0.00 0.00 0.00 0.00 54.97 56.05 1hqm s GLU 739 Cb -0.05 -3.59 0.03 0.00 2.00 0.00 0.00 34.13 32.53 1hqm s GLU 739 CO 0.74 -0.35 0.23 0.39 -0.56 0.00 0.00 175.26 175.71 1hqm n GLU 740 N 5.36 -1.70 0.00 4.30 1.02 -1.26 -3.56 120.64 124.80 1hqm n GLU 740 Ca 0.03 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1hqm n GLU 740 Cb 0.49 -4.05 0.00 0.00 -0.02 0.00 0.00 31.44 27.85 1hqm n GLU 740 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hqm n GLY 741 N -2.19 2.51 3.89 0.62 0.00 -1.26 -4.79 105.19 103.97 1hqm n GLY 741 Ca -0.25 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1hqm n GLY 741 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqm s ILE 742 N 0.00 5.13 1.01 -0.61 1.01 -1.23 -3.89 121.20 122.61 1hqm s ILE 742 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 1hqm s ILE 742 Cb 0.00 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 1hqm s ILE 742 CO 0.00 0.04 -0.43 0.52 0.00 0.00 0.00 174.94 175.07 1hqm n VAL 743 N 0.11 0.00 -4.11 2.92 0.31 -1.18 -1.59 118.33 114.80 1hqm n VAL 743 Ca -0.02 -0.28 -0.30 0.00 -0.01 0.00 0.00 64.34 63.73 1hqm n VAL 743 Cb 0.52 -0.30 -0.07 0.00 -0.91 0.00 0.00 33.84 33.08 1hqm n VAL 743 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hqm s ARG 744 N -2.75 2.66 0.96 5.55 3.03 -1.26 -4.57 118.95 122.57 1hqm s ARG 744 Ca 0.47 -0.82 -0.12 0.00 2.03 0.00 0.00 55.73 57.30 1hqm s ARG 744 Cb -0.13 -2.59 0.12 0.00 -1.03 0.00 0.00 34.95 31.33 1hqm s ARG 744 CO 0.72 0.54 0.85 -0.89 -1.13 0.00 0.00 175.30 175.38 1hqm n ILE 745 N 0.40 0.00 -0.54 4.99 2.08 -1.26 -1.41 119.36 123.63 1hqm n ILE 745 Ca -0.10 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.10 1hqm n ILE 745 Cb 0.52 -0.86 0.00 0.00 -0.75 0.00 0.00 39.64 38.55 1hqm n ILE 745 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1hqm n GLY 746 N 0.81 0.00 3.74 7.39 0.00 0.12 -4.90 105.19 112.35 1hqm n GLY 746 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1hqm n GLY 746 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqm s ALA 747 N -0.90 1.95 -0.19 4.61 0.00 -0.50 -4.76 121.76 121.99 1hqm s ALA 747 Ca 0.00 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.20 1hqm s ALA 747 Cb 0.00 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1hqm s ALA 747 CO 0.00 -2.07 -0.16 -2.00 0.00 0.00 0.00 175.76 171.54 1hqm s GLU 748 N -4.86 3.11 -0.22 0.00 -6.30 -1.26 -0.59 118.70 108.56 1hqm s GLU 748 Ca 0.63 -0.77 -0.06 0.00 -2.50 0.00 0.00 54.97 52.26 1hqm s GLU 748 Cb -0.18 -2.68 -0.02 0.00 0.00 0.00 0.00 34.13 31.24 1hqm s GLU 748 CO 0.57 -0.18 0.02 0.08 0.02 0.00 0.00 175.26 175.77 1hqm s VAL 749 N 1.28 4.01 0.53 3.70 1.01 0.25 -4.96 120.40 126.23 1hqm s VAL 749 Ca 0.04 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1hqm s VAL 749 Cb -0.14 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.49 1hqm s VAL 749 CO -0.09 0.39 0.74 2.29 0.00 0.00 0.00 175.10 178.43 1hqm n LYS 750 N 4.60 0.60 -2.58 2.72 0.00 -1.26 -1.12 118.16 121.12 1hqm n LYS 750 Ca -0.17 -2.81 -0.42 0.00 -0.00 0.00 0.00 58.31 54.91 1hqm n LYS 750 Cb 0.51 -0.24 -0.03 0.00 -0.00 0.00 0.00 35.03 35.27 1hqm n LYS 750 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1hqm s PRO 751 N -4.41 4.50 0.00 -1.58 0.04 -0.10 -3.71 135.00 129.74 1hqm s PRO 751 Ca 0.55 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1hqm s PRO 751 Cb -0.04 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1hqm s PRO 751 CO 0.35 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.65 1hqm n GLY 752 N 3.05 2.20 3.53 0.56 0.00 0.19 -4.95 105.19 109.77 1hqm n GLY 752 Ca 0.07 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1hqm n GLY 752 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hqm n ASP 753 N 0.18 -0.43 -4.59 1.61 10.43 -1.24 -4.41 116.55 118.10 1hqm n ASP 753 Ca 0.00 0.63 -0.42 0.00 2.57 0.00 0.00 54.79 57.57 1hqm n ASP 753 Cb 0.00 -1.30 -0.02 0.00 1.84 0.00 0.00 41.12 41.63 1hqm n ASP 753 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1hqm s ILE 754 N -1.86 3.74 0.07 0.53 -1.09 -1.26 -2.00 121.20 119.34 1hqm s ILE 754 Ca 0.69 0.70 -0.14 0.00 -2.23 0.00 0.00 60.65 59.66 1hqm s ILE 754 Cb -0.35 -4.17 -0.22 0.00 -1.58 0.00 0.00 42.46 36.14 1hqm s ILE 754 CO 0.54 -0.86 1.20 0.25 -1.23 0.00 0.00 174.94 174.84 1hqm h LEU 755 N 13.14 0.89 -5.96 2.97 7.12 -1.86 -3.44 115.31 128.18 1hqm h LEU 755 Ca -0.28 -0.73 0.04 0.00 0.13 0.00 0.00 57.88 57.04 1hqm h LEU 755 Cb 1.12 -0.27 -0.20 0.00 -0.53 0.00 0.00 40.66 40.77 1hqm h LEU 755 CO 1.12 1.50 -0.34 -0.69 -0.13 0.00 0.00 178.44 179.90 1hqm s VAL 756 N -3.37 -0.87 0.69 1.05 1.01 -1.26 -3.10 120.40 114.55 1hqm s VAL 756 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1hqm s VAL 756 Cb 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1hqm s VAL 756 CO 0.91 0.00 1.06 -0.83 0.00 0.00 0.00 175.10 176.24 1hqm s GLY 757 N 2.57 1.70 -0.30 4.51 0.00 -1.25 -2.07 107.32 112.48 1hqm s GLY 757 Ca 0.14 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.81 1hqm s GLY 757 CO -0.21 0.42 1.17 1.09 0.00 0.00 0.00 173.10 175.58 1hqm s ARG 758 N -4.97 0.15 0.69 2.90 3.03 -1.25 -3.22 118.95 116.29 1hqm s ARG 758 Ca 0.59 0.30 -0.08 0.00 2.03 0.00 0.00 55.73 58.56 1hqm s ARG 758 Cb -0.14 0.10 0.04 0.00 -1.03 0.00 0.00 34.95 33.92 1hqm s ARG 758 CO 0.54 -0.04 1.03 0.95 -1.13 0.00 0.00 175.30 176.65 1hqm s THR 759 N 1.55 2.78 -0.17 4.99 -4.23 -0.94 -3.17 115.64 116.45 1hqm s THR 759 Ca -0.05 -0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 1hqm s THR 759 Cb -0.03 -3.20 0.05 0.00 1.34 0.00 0.00 72.50 70.67 1hqm s THR 759 CO -0.13 -0.23 0.43 -0.55 -0.54 0.00 0.00 174.62 173.60 1hqm s SER 760 N -4.45 -0.49 0.06 3.99 0.15 -0.45 -3.42 113.70 109.09 1hqm s SER 760 Ca 0.59 0.89 -0.29 0.00 0.70 0.00 0.00 55.95 57.83 1hqm s SER 760 Cb -0.11 0.85 -0.15 0.00 -1.71 0.00 0.00 66.02 64.90 1hqm s SER 760 CO 0.47 -0.17 1.45 -0.26 1.20 0.00 0.00 173.24 175.93 1hqm h PHE 761 N 6.13 -1.06 -2.98 3.44 -1.00 -1.85 1.75 116.94 121.37 1hqm h PHE 761 Ca -0.31 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.46 1hqm h PHE 761 Cb 1.18 0.38 0.00 0.00 3.61 0.00 0.00 35.95 41.13 1hqm h PHE 761 CO 0.33 -0.59 0.00 1.63 -1.61 0.00 0.00 178.31 178.08 1hqm n LYS 762 N -4.90 0.00 -1.30 1.51 5.02 -1.26 -4.38 118.16 112.85 1hqm n LYS 762 Ca -0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.99 1hqm n LYS 762 Cb 0.40 -0.50 0.12 0.00 -0.02 0.00 0.00 35.03 35.04 1hqm n LYS 762 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hqm n GLY 763 N 0.75 5.53 0.00 0.72 0.00 -1.26 -4.91 105.19 106.02 1hqm n GLY 763 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1hqm n GLY 763 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hqm n GLU 764 N -0.97 0.00 -4.67 1.61 4.71 -1.26 -4.66 120.64 115.40 1hqm n GLU 764 Ca 0.44 0.00 -0.30 0.00 -0.01 0.00 0.00 57.16 57.29 1hqm n GLU 764 Cb 0.98 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 31.33 1hqm n GLU 764 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1hqm s GLN 765 N -0.23 2.12 -0.19 3.49 -0.21 -1.26 -5.14 119.66 118.25 1hqm s GLN 765 Ca 0.00 -2.35 -0.14 0.00 0.02 0.00 0.00 55.36 52.89 1hqm s GLN 765 Cb 0.00 -1.09 -0.04 0.00 1.00 0.00 0.00 33.01 32.88 1hqm s GLN 765 CO 0.00 -0.46 0.31 -1.21 -2.12 0.00 0.00 175.29 171.81 1hqm s GLU 766 N -3.79 4.20 -0.83 2.91 0.41 -1.26 -4.98 118.70 115.36 1hqm s GLU 766 Ca 0.11 0.07 -0.25 0.00 -0.41 0.00 0.00 54.97 54.49 1hqm s GLU 766 Cb 0.01 -3.49 -0.19 0.00 -1.78 0.00 0.00 34.13 28.68 1hqm s GLU 766 CO 0.07 0.11 1.90 -0.35 -0.49 0.00 0.00 175.26 176.50 1hqm n PRO 767 N 4.02 1.00 -0.87 0.39 -0.04 -1.26 -4.90 135.00 133.35 1hqm n PRO 767 Ca -0.11 -1.88 -0.26 0.00 -0.04 0.00 0.00 63.50 61.21 1hqm n PRO 767 Cb 0.52 -3.31 0.04 0.00 -0.04 0.00 0.00 33.50 30.70 1hqm n PRO 767 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hqm n SER 768 N 12.44 -2.66 -3.83 3.54 3.41 -1.26 -3.94 113.62 121.32 1hqm n SER 768 Ca 0.46 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1hqm n SER 768 Cb 0.44 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1hqm n SER 768 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1hqm n PRO 769 N 1.73 0.90 0.00 4.33 -0.04 -1.26 -1.19 135.00 139.46 1hqm n PRO 769 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1hqm n PRO 769 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 1hqm n PRO 769 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1hqm n GLU 770 N -0.14 0.00 0.16 0.54 1.02 -1.26 -3.03 120.64 117.93 1hqm n GLU 770 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1hqm n GLU 770 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1hqm n GLU 770 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1hqm h GLU 771 N 0.00 -0.73 -0.97 3.49 5.08 -1.88 3.13 114.58 122.71 1hqm h GLU 771 Ca 0.00 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1hqm h GLU 771 Cb 0.00 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 1hqm h GLU 771 CO 0.00 -0.48 0.63 -0.09 -1.00 0.00 0.00 179.01 178.06 1hqm h ARG 772 N -0.75 1.07 0.26 2.33 1.12 -1.07 0.90 114.38 118.24 1hqm h ARG 772 Ca -0.00 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1hqm h ARG 772 Cb 0.74 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.46 1hqm h ARG 772 CO -0.21 0.71 -0.12 1.25 -3.11 0.00 0.00 179.97 178.49 1hqm h LEU 773 N 1.11 -0.29 -0.93 3.80 5.85 -1.16 0.34 115.31 124.03 1hqm h LEU 773 Ca 0.42 0.01 0.27 0.00 0.84 0.00 0.00 57.88 59.42 1hqm h LEU 773 Cb 0.20 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.16 1hqm h LEU 773 CO -0.17 -0.20 0.34 -0.07 -0.34 0.00 0.00 178.44 178.01 1hqm h LEU 774 N -0.37 0.15 0.15 2.25 3.38 0.59 0.85 115.31 122.31 1hqm h LEU 774 Ca -0.04 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1hqm h LEU 774 Cb 0.26 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1hqm h LEU 774 CO 0.06 -0.16 -0.36 0.03 0.09 0.00 0.00 178.44 178.10 1hqm h ARG 775 N 0.23 -0.59 0.42 1.13 3.08 0.12 0.62 114.38 119.40 1hqm h ARG 775 Ca 0.62 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.70 1hqm h ARG 775 Cb 1.32 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 1hqm h ARG 775 CO -0.65 -0.39 -0.39 0.66 -1.07 0.00 0.00 179.97 178.13 1hqm h SER 776 N -0.61 -1.04 0.00 7.04 4.64 0.36 4.43 113.55 128.38 1hqm h SER 776 Ca 0.02 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1hqm h SER 776 Cb 0.62 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1hqm h SER 776 CO -0.19 -0.54 0.00 -0.38 -0.87 0.00 0.00 176.83 174.85 1hqm n ILE 777 N -5.49 0.00 -0.77 0.95 5.41 0.25 -0.39 119.36 119.32 1hqm n ILE 777 Ca -0.11 0.55 -0.08 0.00 1.00 0.00 0.00 62.75 64.12 1hqm n ILE 777 Cb 0.39 -0.90 -0.12 0.00 -0.71 0.00 0.00 39.64 38.30 1hqm n ILE 777 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1hqm n PHE 778 N -0.51 0.00 -3.11 1.39 3.01 0.14 -4.70 117.46 113.67 1hqm n PHE 778 Ca 0.00 -1.20 -0.17 0.00 1.01 0.00 0.00 57.45 57.08 1hqm n PHE 778 Cb 0.00 -1.24 -0.03 0.00 -0.01 0.00 0.00 39.48 38.20 1hqm n PHE 778 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1hqm n GLY 779 N 2.37 -0.39 2.33 1.37 0.00 0.47 -4.71 105.19 106.63 1hqm n GLY 779 Ca 0.30 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 1hqm n GLY 779 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hqm n GLU 780 N -2.81 3.41 -0.54 1.61 1.02 1.45 -4.92 120.64 119.86 1hqm n GLU 780 Ca 0.05 -2.04 -0.21 0.00 -0.02 0.00 0.00 57.16 54.94 1hqm n GLU 780 Cb 0.41 -2.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.09 1hqm n GLU 780 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hqm n LYS 781 N 3.60 0.00 -0.71 3.49 4.01 -1.26 -4.51 118.16 122.79 1hqm n LYS 781 Ca 0.73 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 58.21 1hqm n LYS 781 Cb 0.25 -0.47 0.15 0.00 -0.51 0.00 0.00 35.03 34.45 1hqm n LYS 781 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1hqm n ALA 782 N 1.11 -1.41 -2.83 7.82 0.00 -1.26 -5.03 120.51 118.91 1hqm n ALA 782 Ca 0.09 -0.58 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 1hqm n ALA 782 Cb -0.01 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.25 1hqm n ALA 782 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1hqm s ARG 783 N -4.32 0.54 0.00 0.00 1.70 -1.26 -5.04 118.95 110.58 1hqm s ARG 783 Ca 0.64 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1hqm s ARG 783 Cb -0.22 -0.36 0.00 0.00 -0.57 0.00 0.00 34.95 33.80 1hqm s ARG 783 CO 0.61 0.07 0.00 -0.25 -1.08 0.00 0.00 175.30 174.65 1hqm n ASP 784 N 1.64 0.24 -4.26 -2.89 8.00 -1.26 -5.06 116.55 112.95 1hqm n ASP 784 Ca -0.21 -0.24 -0.32 0.00 0.71 0.00 0.00 54.79 54.73 1hqm n ASP 784 Cb 0.55 0.52 -0.16 0.00 -0.02 0.00 0.00 41.12 42.01 1hqm n ASP 784 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hqm s VAL 785 N -0.57 2.08 0.73 2.53 0.11 -1.26 -4.27 120.40 119.74 1hqm s VAL 785 Ca 0.00 -1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 57.89 1hqm s VAL 785 Cb 0.00 -1.75 0.04 0.00 -1.53 0.00 0.00 36.38 33.14 1hqm s VAL 785 CO 0.00 0.57 1.10 -0.54 -3.33 0.00 0.00 175.10 172.90 1hqm s LYS 786 N -0.09 2.48 -0.06 1.54 1.02 0.60 -4.71 119.74 120.52 1hqm s LYS 786 Ca -0.06 0.22 -0.21 0.00 0.02 0.00 0.00 55.97 55.95 1hqm s LYS 786 Cb -0.14 -2.03 -0.16 0.00 -0.52 0.00 0.00 37.83 34.98 1hqm s LYS 786 CO 0.04 -1.23 0.83 0.22 -0.92 0.00 0.00 175.35 174.30 1hqm h ASP 787 N -0.75 -0.16 -4.96 2.83 1.82 -1.84 -1.20 116.42 112.15 1hqm h ASP 787 Ca -0.45 -0.38 -0.29 0.00 -0.39 0.00 0.00 57.03 55.52 1hqm h ASP 787 Cb 1.29 0.04 -0.18 0.00 0.68 0.00 0.00 39.33 41.16 1hqm h ASP 787 CO 0.64 0.42 -0.42 1.07 -1.61 0.00 0.00 179.24 179.34 1hqm n THR 788 N -4.90 0.00 -0.35 2.25 5.66 -1.25 -3.41 114.28 112.29 1hqm n THR 788 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1hqm n THR 788 Cb 0.26 -0.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1hqm n THR 788 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1hqm n SER 789 N -0.96 -0.48 -0.05 1.09 7.64 -1.19 -4.28 113.62 115.39 1hqm n SER 789 Ca 0.05 -0.35 -0.05 0.00 1.01 0.00 0.00 58.87 59.53 1hqm n SER 789 Cb 0.25 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1hqm n SER 789 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1hqm n LEU 790 N 0.00 1.18 -1.39 -3.43 7.94 -0.88 -4.82 117.00 115.59 1hqm n LEU 790 Ca 0.00 0.20 0.09 0.00 -1.11 0.00 0.00 56.01 55.19 1hqm n LEU 790 Cb 0.00 -0.64 -0.05 0.00 0.53 0.00 0.00 43.42 43.26 1hqm n LEU 790 CO 0.00 -0.37 -0.50 0.54 -1.11 0.00 0.00 177.39 175.96 1hqm n ARG 791 N -3.69 -3.11 -3.38 1.96 1.74 -1.24 -4.77 116.66 104.17 1hqm n ARG 791 Ca -0.08 2.50 -0.38 0.00 -0.77 0.00 0.00 57.85 59.11 1hqm n ARG 791 Cb 0.31 -3.45 -0.07 0.00 -1.02 0.00 0.00 32.46 28.23 1hqm n ARG 791 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1hqm s VAL 792 N -4.77 5.20 1.03 1.55 1.01 -0.84 -4.62 120.40 118.95 1hqm s VAL 792 Ca 0.00 0.75 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 1hqm s VAL 792 Cb 0.00 -3.74 0.21 0.00 0.00 0.00 0.00 36.38 32.85 1hqm s VAL 792 CO 0.00 0.27 0.48 -0.81 0.00 0.00 0.00 175.10 175.03 1hqm n PRO 793 N 4.32 -1.85 0.00 2.72 -0.04 -1.26 0.55 135.00 139.44 1hqm n PRO 793 Ca -0.08 -0.80 0.03 0.00 -0.04 0.00 0.00 63.50 62.60 1hqm n PRO 793 Cb 0.51 -1.47 0.12 0.00 -0.04 0.00 0.00 33.50 32.62 1hqm n PRO 793 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1hqm n PRO 794 N -1.95 0.02 -2.57 0.54 -0.02 -1.26 -4.34 135.00 125.42 1hqm n PRO 794 Ca 0.08 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1hqm n PRO 794 Cb 0.33 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.28 1hqm n PRO 794 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1hqm s GLY 795 N -2.87 1.07 0.00 -1.23 0.00 -1.26 -4.88 107.32 98.15 1hqm s GLY 795 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.98 1hqm s GLY 795 CO 0.09 2.64 0.00 -2.21 0.00 0.00 0.00 173.10 173.62 1hqm n GLU 796 N 9.08 0.00 0.00 2.90 2.13 -1.26 -4.81 120.64 128.68 1hqm n GLU 796 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1hqm n GLU 796 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1hqm n GLU 796 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1hqm n GLY 797 N 0.00 0.89 0.00 8.31 0.00 -1.26 -0.92 105.19 112.20 1hqm n GLY 797 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1hqm n GLY 797 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqm n GLY 798 N 0.00 0.81 3.41 -0.02 0.00 -0.28 -4.80 105.19 104.31 1hqm n GLY 798 Ca 0.00 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1hqm n GLY 798 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hqm s ILE 799 N -3.18 4.39 -0.90 -0.61 1.01 -1.11 0.86 121.20 121.67 1hqm s ILE 799 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.90 1hqm s ILE 799 Cb 0.00 -3.25 -0.23 0.00 0.01 0.00 0.00 42.46 38.99 1hqm s ILE 799 CO 0.00 0.06 2.46 0.52 0.00 0.00 0.00 174.94 177.98 1hqm n VAL 800 N 4.94 -0.01 0.08 2.92 0.31 0.24 -1.34 118.33 125.47 1hqm n VAL 800 Ca -0.14 -0.33 -0.09 0.00 -0.01 0.00 0.00 64.34 63.77 1hqm n VAL 800 Cb 0.49 -0.86 -0.08 0.00 -0.91 0.00 0.00 33.84 32.48 1hqm n VAL 800 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1hqm h VAL 801 N 7.61 1.60 -1.29 2.52 2.07 -1.57 0.33 116.25 127.53 1hqm h VAL 801 Ca -0.05 -3.08 0.31 0.00 0.82 0.00 0.00 66.70 64.70 1hqm h VAL 801 Cb 1.21 2.74 -0.18 0.00 -1.52 0.00 0.00 31.29 33.55 1hqm h VAL 801 CO 1.39 0.89 0.89 -0.83 0.02 0.00 0.00 177.57 179.92 1hqm s GLY 802 N -4.64 -0.31 -0.05 2.17 0.00 -1.17 -4.79 107.32 98.53 1hqm s GLY 802 Ca -0.01 1.48 -0.02 0.00 0.00 0.00 0.00 44.72 46.17 1hqm s GLY 802 CO 0.83 0.46 0.10 1.09 0.00 0.00 0.00 173.10 175.58 1hqm s ARG 803 N -2.26 -0.02 0.08 2.90 1.04 -1.26 0.13 118.95 119.55 1hqm s ARG 803 Ca 0.12 0.40 0.03 0.00 -1.04 0.00 0.00 55.73 55.24 1hqm s ARG 803 Cb 0.01 -0.35 -0.04 0.00 -2.04 0.00 0.00 34.95 32.53 1hqm s ARG 803 CO -0.04 -0.27 0.07 -1.17 -0.04 0.00 0.00 175.30 173.85 1hqm s LEU 804 N 1.89 3.77 -0.15 -1.89 2.96 -0.82 -4.99 118.68 119.45 1hqm s LEU 804 Ca 0.00 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1hqm s LEU 804 Cb -0.12 -2.44 0.06 0.00 0.50 0.00 0.00 46.19 44.18 1hqm s LEU 804 CO -0.04 0.18 0.10 -0.60 -1.32 0.00 0.00 176.35 174.67 1hqm s ARG 805 N -2.34 0.05 -0.21 1.98 3.52 -1.26 -0.99 118.95 119.70 1hqm s ARG 805 Ca 0.29 0.04 -0.08 0.00 -0.13 0.00 0.00 55.73 55.85 1hqm s ARG 805 Cb -0.12 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 1hqm s ARG 805 CO 0.21 -0.61 0.09 -0.51 -0.81 0.00 0.00 175.30 173.68 1hqm s LEU 806 N 2.17 3.84 -0.04 -0.88 1.43 -1.17 -4.95 118.68 119.08 1hqm s LEU 806 Ca 0.03 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1hqm s LEU 806 Cb -0.15 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1hqm s LEU 806 CO -0.08 0.10 -0.12 0.00 0.23 0.00 0.00 176.35 176.48 1hqm s ARG 807 N 0.82 1.42 0.31 1.70 1.70 -1.26 0.92 118.95 124.56 1hqm s ARG 807 Ca 0.05 -0.41 -0.25 0.00 -0.47 0.00 0.00 55.73 54.65 1hqm s ARG 807 Cb -0.13 -1.24 -0.15 0.00 -0.57 0.00 0.00 34.95 32.86 1hqm s ARG 807 CO 0.02 0.11 0.45 -2.13 -1.08 0.00 0.00 175.30 172.67 1hqm n ARG 808 N 3.47 0.25 0.00 3.89 0.63 -1.26 -0.03 116.66 123.61 1hqm n ARG 808 Ca -0.20 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 1hqm n ARG 808 Cb 0.53 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.26 1hqm n ARG 808 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hqm n GLY 809 N 1.97 2.45 3.36 5.14 0.00 -1.26 -4.89 105.19 111.97 1hqm n GLY 809 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1hqm n GLY 809 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hqm s ASP 810 N -2.94 -0.47 0.00 1.61 -1.08 0.96 -5.01 116.67 109.75 1hqm s ASP 810 Ca 0.00 1.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 1hqm s ASP 810 Cb 0.00 -1.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.92 1hqm s ASP 810 CO 0.00 -5.03 0.00 -0.81 0.52 0.00 0.00 175.17 169.85 1hqm n PRO 811 N -5.43 0.00 0.00 4.34 -0.04 -1.26 -4.36 135.00 128.26 1hqm n PRO 811 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1hqm n PRO 811 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1hqm n PRO 811 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqm n GLY 812 N 1.20 -0.03 0.00 0.55 0.00 -1.26 -4.66 105.19 100.99 1hqm n GLY 812 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hqm n GLY 812 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hqm n VAL 813 N -0.76 0.00 0.00 1.61 0.31 -1.26 -5.00 118.33 113.24 1hqm n VAL 813 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hqm n VAL 813 Cb 0.04 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 1hqm n VAL 813 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1hqm n GLU 814 N -0.30 0.00 -4.27 5.55 0.28 -1.26 -5.03 120.64 115.61 1hqm n GLU 814 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1hqm n GLU 814 Cb 0.00 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.74 1hqm n GLU 814 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1hqm s LEU 815 N 0.00 2.23 -0.00 -1.84 1.02 -1.26 -5.04 118.68 113.79 1hqm s LEU 815 Ca 0.00 -0.56 -0.15 0.00 0.02 0.00 0.00 54.13 53.44 1hqm s LEU 815 Cb 0.00 -0.60 -0.08 0.00 0.02 0.00 0.00 46.19 45.54 1hqm s LEU 815 CO 0.00 -0.01 0.41 1.17 0.02 0.00 0.00 176.35 177.94 1hqm n LYS 816 N 1.52 0.00 -1.57 1.70 3.00 -1.26 -4.66 118.16 116.89 1hqm n LYS 816 Ca -0.20 0.00 -0.50 0.00 -0.00 0.00 0.00 58.31 57.61 1hqm n LYS 816 Cb 0.54 -0.57 -0.05 0.00 0.00 0.00 0.00 35.03 34.95 1hqm n LYS 816 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1hqm n PRO 817 N 0.60 1.01 0.00 1.64 -0.04 -1.26 0.15 135.00 137.10 1hqm n PRO 817 Ca 0.08 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1hqm n PRO 817 Cb 0.03 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1hqm n PRO 817 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hqm n GLY 818 N 2.09 2.12 3.65 0.55 0.00 -1.26 -4.98 105.19 107.37 1hqm n GLY 818 Ca 0.16 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1hqm n GLY 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hqm s VAL 819 N -0.46 3.42 -0.13 1.61 1.01 0.12 -3.84 120.40 122.13 1hqm s VAL 819 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1hqm s VAL 819 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1hqm s VAL 819 CO 0.00 -0.07 -0.21 -0.60 0.00 0.00 0.00 175.10 174.22 1hqm s ARG 820 N 4.32 3.09 0.53 2.72 3.52 -0.35 -4.61 118.95 128.17 1hqm s ARG 820 Ca 0.78 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1hqm s ARG 820 Cb -0.35 -2.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 1hqm s ARG 820 CO 0.33 0.08 0.00 -1.91 -0.81 0.00 0.00 175.30 172.99 1hqm n GLU 821 N 3.81 -2.83 -3.09 5.12 2.13 -1.25 -2.70 120.64 121.83 1hqm n GLU 821 Ca -0.19 2.32 0.03 0.00 0.66 0.00 0.00 57.16 59.97 1hqm n GLU 821 Cb 0.52 -3.28 -0.00 0.00 0.27 0.00 0.00 31.44 28.95 1hqm n GLU 821 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1hqm s VAL 822 N -4.15 -0.71 0.35 6.31 1.01 0.26 -3.10 120.40 120.37 1hqm s VAL 822 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1hqm s VAL 822 Cb 0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.98 1hqm s VAL 822 CO 0.00 0.00 1.19 -0.69 0.00 0.00 0.00 175.10 175.60 1hqm s VAL 823 N 2.32 3.14 0.02 2.92 1.01 -0.10 -3.02 120.40 126.68 1hqm s VAL 823 Ca 0.16 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.24 1hqm s VAL 823 Cb -0.04 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1hqm s VAL 823 CO -0.16 0.19 -0.11 -0.13 0.00 0.00 0.00 175.10 174.88 1hqm s ARG 824 N -1.91 0.80 -0.10 2.72 0.52 -0.16 -1.57 118.95 119.26 1hqm s ARG 824 Ca 0.51 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 55.12 1hqm s ARG 824 Cb -0.33 -0.77 0.05 0.00 0.52 0.00 0.00 34.95 34.42 1hqm s ARG 824 CO 0.43 0.20 0.20 0.08 0.02 0.00 0.00 175.30 176.22 1hqm s VAL 825 N -0.63 -0.25 0.06 3.52 1.01 -0.29 -1.95 120.40 121.87 1hqm s VAL 825 Ca 0.01 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1hqm s VAL 825 Cb -0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 1hqm s VAL 825 CO 0.00 0.12 0.42 -0.36 0.00 0.00 0.00 175.10 175.29 1hqm s PHE 826 N 2.07 3.64 -0.06 5.22 0.08 0.12 -0.90 117.98 128.15 1hqm s PHE 826 Ca -0.00 0.90 0.02 0.00 0.12 0.00 0.00 56.93 57.96 1hqm s PHE 826 Cb -0.12 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.12 1hqm s PHE 826 CO -0.07 0.55 -0.09 0.08 -0.10 0.00 0.00 175.22 175.60 1hqm s VAL 827 N -1.29 0.87 0.91 -0.44 1.01 -0.67 -1.46 120.40 119.33 1hqm s VAL 827 Ca 0.30 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.85 1hqm s VAL 827 Cb -0.15 -0.84 0.19 0.00 0.00 0.00 0.00 36.38 35.58 1hqm s VAL 827 CO 0.16 0.30 1.24 0.00 0.00 0.00 0.00 175.10 176.81 1hqm s ALA 828 N 0.83 2.65 -0.28 5.51 0.00 -0.45 0.17 121.76 130.19 1hqm s ALA 828 Ca -0.12 -1.42 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 1hqm s ALA 828 Cb -0.15 -2.52 0.15 0.00 0.00 0.00 0.00 23.12 20.60 1hqm s ALA 828 CO 0.02 -2.22 1.17 -0.65 0.00 0.00 0.00 175.76 174.07 1hqm s GLN 829 N -5.70 0.36 -0.09 0.00 -0.21 0.17 -2.74 119.66 111.45 1hqm s GLN 829 Ca 0.73 0.40 0.02 0.00 0.02 0.00 0.00 55.36 56.53 1hqm s GLN 829 Cb -0.04 0.17 0.01 0.00 1.00 0.00 0.00 33.01 34.16 1hqm s GLN 829 CO 0.51 -0.05 -0.15 0.21 -2.12 0.00 0.00 175.29 173.70 1hqm s LYS 830 N 0.09 2.06 0.00 2.91 2.20 -1.26 0.14 119.74 125.88 1hqm s LYS 830 Ca 0.04 -0.52 0.09 0.00 -0.36 0.00 0.00 55.97 55.23 1hqm s LYS 830 Cb -0.05 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 1hqm s LYS 830 CO -0.09 -0.01 0.53 0.54 -0.36 0.00 0.00 175.35 175.96 1hqm n ARG 831 N 4.01 2.70 0.00 4.03 1.74 0.10 -4.94 116.66 124.31 1hqm n ARG 831 Ca -0.20 -0.41 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 1hqm n ARG 831 Cb 0.52 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 1hqm n ARG 831 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1hqm n LYS 832 N -0.53 0.00 -3.63 5.56 5.02 -1.26 -4.71 118.16 118.61 1hqm n LYS 832 Ca 0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.26 1hqm n LYS 832 Cb 0.18 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.12 1hqm n LYS 832 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1hqm s LEU 833 N 0.00 -0.24 0.33 -0.35 2.96 -1.26 -3.23 118.68 116.88 1hqm s LEU 833 Ca 0.00 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 1hqm s LEU 833 Cb 0.00 1.50 -0.01 0.00 0.50 0.00 0.00 46.19 48.18 1hqm s LEU 833 CO 0.00 -0.12 0.37 -1.10 -1.32 0.00 0.00 176.35 174.18 1hqm s GLN 834 N -0.25 1.80 0.12 1.98 -0.21 -1.26 -5.05 119.66 116.79 1hqm s GLN 834 Ca 0.05 -1.86 -0.31 0.00 0.02 0.00 0.00 55.36 53.26 1hqm s GLN 834 Cb -0.04 0.38 -0.09 0.00 1.00 0.00 0.00 33.01 34.27 1hqm s GLN 834 CO -0.08 -0.71 1.47 0.08 -2.12 0.00 0.00 175.29 173.93 1hqm s VAL 835 N -3.29 3.06 -0.09 1.09 1.01 -1.26 -4.44 120.40 116.48 1hqm s VAL 835 Ca 0.35 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.07 1hqm s VAL 835 Cb 0.01 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1hqm s VAL 835 CO 0.23 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1hqm n GLY 836 N 3.63 0.13 1.15 4.51 0.00 -0.56 -4.84 105.19 109.21 1hqm n GLY 836 Ca 0.13 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1hqm n GLY 836 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1hqm n ASP 837 N 0.00 -1.93 -4.90 1.61 3.85 -1.26 -1.46 116.55 112.46 1hqm n ASP 837 Ca 0.00 0.35 -0.29 0.00 -0.71 0.00 0.00 54.79 54.13 1hqm n ASP 837 Cb 0.00 -2.32 -0.04 0.00 -1.35 0.00 0.00 41.12 37.42 1hqm n ASP 837 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1hqm s LYS 838 N -3.66 3.66 -0.03 0.11 1.02 -1.26 -0.10 119.74 119.47 1hqm s LYS 838 Ca 0.00 0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.03 1hqm s LYS 838 Cb 0.00 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1hqm s LYS 838 CO 0.00 0.28 0.00 1.28 -0.92 0.00 0.00 175.35 175.99 1hqm n LEU 839 N -0.64 0.62 0.00 3.17 7.99 0.30 -4.02 117.00 124.42 1hqm n LEU 839 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1hqm n LEU 839 Cb 0.53 0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1hqm n LEU 839 CO 0.48 0.17 0.00 0.00 -1.51 0.00 0.00 177.39 176.52 1hqm n ALA 840 N -2.20 -0.74 -1.80 -1.18 0.00 -1.25 -2.10 120.51 111.24 1hqm n ALA 840 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1hqm n ALA 840 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1hqm n ALA 840 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1hqm n ASN 841 N 0.46 0.00 0.01 0.00 2.04 -1.26 -3.15 115.26 113.35 1hqm n ASN 841 Ca 0.00 -0.32 0.13 0.00 -0.44 0.00 0.00 54.58 53.94 1hqm n ASN 841 Cb 0.00 0.00 0.54 0.00 -2.53 0.00 0.00 39.78 37.79 1hqm n ASN 841 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1hqm n ARG 842 N -0.32 0.02 -1.89 -3.83 1.74 -1.26 -3.49 116.66 107.62 1hqm n ARG 842 Ca 0.00 0.07 -0.28 0.00 -0.77 0.00 0.00 57.85 56.88 1hqm n ARG 842 Cb 0.00 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 29.94 1hqm n ARG 842 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1hqm n HIS 843 N -1.57 2.95 -2.56 -1.55 8.25 -1.26 -4.59 115.22 114.89 1hqm n HIS 843 Ca 0.06 -2.52 -0.10 0.00 -0.26 0.00 0.00 57.72 54.90 1hqm n HIS 843 Cb 0.31 -0.62 -0.00 0.00 1.12 0.00 0.00 29.99 30.79 1hqm n HIS 843 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hqm n GLY 844 N -0.73 -0.50 1.74 -1.41 0.00 -1.23 -4.75 105.19 98.32 1hqm n GLY 844 Ca 0.49 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 1hqm n GLY 844 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1hqm n ASN 845 N -1.76 5.77 -4.58 1.61 2.85 -1.26 -4.88 115.26 113.00 1hqm n ASN 845 Ca -0.09 -2.86 -0.42 0.00 -0.11 0.00 0.00 54.58 51.10 1hqm n ASN 845 Cb 0.57 -1.01 0.00 0.00 1.24 0.00 0.00 39.78 40.58 1hqm n ASN 845 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1hqm n LYS 846 N 0.53 1.24 -3.56 1.20 -0.00 -1.26 -4.40 118.16 111.91 1hqm n LYS 846 Ca 0.22 0.44 -0.08 0.00 -0.00 0.00 0.00 58.31 58.90 1hqm n LYS 846 Cb 0.61 -1.90 -0.03 0.00 -0.00 0.00 0.00 35.03 33.71 1hqm n LYS 846 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1hqm s GLY 847 N -0.71 -0.31 -0.20 2.58 0.00 -1.26 -4.81 107.32 102.61 1hqm s GLY 847 Ca 0.62 1.65 -0.04 0.00 0.00 0.00 0.00 44.72 46.95 1hqm s GLY 847 CO 0.58 0.69 -0.02 0.54 0.00 0.00 0.00 173.10 174.88 1hqm s VAL 848 N -2.08 3.71 0.15 1.40 0.11 -1.26 0.11 120.40 122.55 1hqm s VAL 848 Ca 0.04 -0.39 -0.33 0.00 -2.93 0.00 0.00 61.98 58.37 1hqm s VAL 848 Cb -0.01 -2.67 -0.17 0.00 -1.53 0.00 0.00 36.38 32.00 1hqm s VAL 848 CO -0.04 0.44 0.99 0.52 -3.33 0.00 0.00 175.10 173.68 1hqm n VAL 849 N 4.32 1.01 0.00 2.04 0.31 0.85 -3.79 118.33 123.07 1hqm n VAL 849 Ca -0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1hqm n VAL 849 Cb 0.52 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 1hqm n VAL 849 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1hqm n ALA 850 N 1.10 0.61 -2.45 3.52 0.00 -1.08 -1.50 120.51 120.71 1hqm n ALA 850 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1hqm n ALA 850 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 1hqm n ALA 850 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1hqm s LYS 851 N 0.00 2.46 -0.29 0.00 2.20 -1.26 -4.67 119.74 118.17 1hqm s LYS 851 Ca 0.00 -1.53 -0.04 0.00 -0.36 0.00 0.00 55.97 54.04 1hqm s LYS 851 Cb 0.00 -2.25 0.10 0.00 -1.51 0.00 0.00 37.83 34.17 1hqm s LYS 851 CO 0.00 0.02 0.12 0.96 -0.36 0.00 0.00 175.35 176.09 1hqm s ILE 852 N -2.43 0.07 0.67 5.43 -0.00 -1.26 -1.64 121.20 122.04 1hqm s ILE 852 Ca 0.41 -0.82 -0.15 0.00 -0.00 0.00 0.00 60.65 60.09 1hqm s ILE 852 Cb -0.02 -1.06 0.00 0.00 -0.00 0.00 0.00 42.46 41.38 1hqm s ILE 852 CO 0.24 -0.69 1.11 -0.76 -0.00 0.00 0.00 174.94 174.84 1hqm s LEU 853 N 2.03 3.36 0.10 0.37 2.01 0.86 -4.62 118.68 122.79 1hqm s LEU 853 Ca 0.09 1.97 -0.21 0.00 0.01 0.00 0.00 54.13 55.99 1hqm s LEU 853 Cb -0.16 -4.55 -0.07 0.00 0.01 0.00 0.00 46.19 41.42 1hqm s LEU 853 CO -0.34 -1.65 0.63 -2.16 1.01 0.00 0.00 176.35 173.85 1hqm s PRO 854 N -4.18 4.32 0.21 1.29 0.04 -1.26 0.05 135.00 135.47 1hqm s PRO 854 Ca 0.66 0.87 0.07 0.00 0.04 0.00 0.00 61.00 62.64 1hqm s PRO 854 Cb -0.20 -3.25 0.65 0.00 0.04 0.00 0.00 34.50 31.75 1hqm s PRO 854 CO 0.43 0.62 0.99 0.28 0.04 0.00 0.00 177.00 179.36 1hqm n VAL 855 N 1.69 -0.26 -0.13 -0.36 0.31 -1.26 -0.36 118.33 117.96 1hqm n VAL 855 Ca -0.09 1.34 -0.03 0.00 -0.01 0.00 0.00 64.34 65.55 1hqm n VAL 855 Cb 0.50 -2.05 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 1hqm n VAL 855 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1hqm n GLU 856 N -4.64 -0.14 0.00 5.55 1.02 -1.26 -4.33 120.64 116.84 1hqm n GLU 856 Ca 0.19 0.95 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 1hqm n GLU 856 Cb 0.64 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 1hqm n GLU 856 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1hqm n ASP 857 N -3.66 0.00 -0.99 1.62 8.00 0.52 -4.24 116.55 117.81 1hqm n ASP 857 Ca 0.01 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1hqm n ASP 857 Cb 0.08 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1hqm n ASP 857 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1hqm n MET 858 N 0.00 -1.73 -3.41 -1.24 2.81 -1.26 -4.24 117.12 108.05 1hqm n MET 858 Ca 0.00 1.14 -0.44 0.00 -1.81 0.00 0.00 57.70 56.59 1hqm n MET 858 Cb 0.00 -2.11 -0.06 0.00 -0.71 0.00 0.00 33.22 30.34 1hqm n MET 858 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1hqm s PRO 859 N -1.54 2.86 0.14 0.03 0.02 -1.26 -2.59 135.00 132.65 1hqm s PRO 859 Ca 0.00 -1.84 -0.32 0.00 0.02 0.00 0.00 61.00 58.86 1hqm s PRO 859 Cb 0.00 -4.16 -0.11 0.00 0.02 0.00 0.00 34.50 30.25 1hqm s PRO 859 CO 0.00 -1.27 1.79 0.72 -0.33 0.00 0.00 177.00 177.91 1hqm n HIS 860 N 4.92 2.63 -0.87 6.54 8.25 -0.33 -4.08 115.22 132.29 1hqm n HIS 860 Ca -0.08 -0.07 -0.11 0.00 -0.26 0.00 0.00 57.72 57.21 1hqm n HIS 860 Cb 0.41 -2.70 0.09 0.00 1.12 0.00 0.00 29.99 28.90 1hqm n HIS 860 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1hqm n LEU 861 N 5.06 0.00 -0.05 2.41 7.94 -1.02 -1.30 117.00 130.04 1hqm n LEU 861 Ca 0.18 -0.45 -0.12 0.00 -1.11 0.00 0.00 56.01 54.51 1hqm n LEU 861 Cb 0.36 -0.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.88 1hqm n LEU 861 CO 0.65 -1.27 0.73 1.55 -1.11 0.00 0.00 177.39 177.95 1hqm h PRO 862 N 0.00 0.30 0.00 1.96 0.13 -1.93 -3.13 132.00 129.33 1hqm h PRO 862 Ca -0.15 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1hqm h PRO 862 Cb 0.45 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1hqm h PRO 862 CO 0.10 0.54 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1hqm n ASP 863 N -4.71 0.00 0.00 1.44 3.85 -1.26 -4.88 116.55 110.99 1hqm n ASP 863 Ca -0.05 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.65 1hqm n ASP 863 Cb 0.24 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 1hqm n ASP 863 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1hqm n GLY 864 N 0.65 2.84 3.68 6.12 0.00 -1.18 -5.05 105.19 112.25 1hqm n GLY 864 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1hqm n GLY 864 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hqm s THR 865 N -2.70 2.93 0.88 2.61 -4.23 -1.26 -4.59 115.64 109.28 1hqm s THR 865 Ca 0.00 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.67 1hqm s THR 865 Cb 0.00 -3.18 0.12 0.00 1.34 0.00 0.00 72.50 70.78 1hqm s THR 865 CO 0.00 -0.01 1.12 -2.16 -0.54 0.00 0.00 174.62 173.04 1hqm s PRO 866 N 3.16 1.41 0.00 3.99 0.04 -1.26 -2.42 135.00 139.91 1hqm s PRO 866 Ca 0.79 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1hqm s PRO 866 Cb -0.42 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1hqm s PRO 866 CO 0.35 -2.04 0.00 1.33 0.04 0.00 0.00 177.00 176.68 1hqm n VAL 867 N -3.68 0.00 0.05 -0.36 0.24 -1.26 -4.90 118.33 108.43 1hqm n VAL 867 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1hqm n VAL 867 Cb 0.58 -1.52 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 1hqm n VAL 867 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1hqm n ASP 868 N -1.47 0.44 -4.52 -1.34 8.00 0.97 -4.82 116.55 113.81 1hqm n ASP 868 Ca 0.00 0.17 -0.28 0.00 0.71 0.00 0.00 54.79 55.40 1hqm n ASP 868 Cb 0.00 -0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 1hqm n ASP 868 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1hqm s VAL 869 N -1.65 2.97 -0.55 2.53 0.11 -0.80 -1.47 120.40 121.53 1hqm s VAL 869 Ca 0.00 -1.66 0.03 0.00 -2.93 0.00 0.00 61.98 57.41 1hqm s VAL 869 Cb 0.00 -2.43 0.41 0.00 -1.53 0.00 0.00 36.38 32.83 1hqm s VAL 869 CO 0.00 -0.05 1.47 -0.38 -3.33 0.00 0.00 175.10 172.82 1hqm n ILE 870 N 0.30 2.87 -1.58 7.04 2.08 -0.71 -3.14 119.36 126.22 1hqm n ILE 870 Ca -0.12 -4.44 -0.62 0.00 0.56 0.00 0.00 62.75 58.13 1hqm n ILE 870 Cb 0.55 -1.23 -0.09 0.00 -0.75 0.00 0.00 39.64 38.12 1hqm n ILE 870 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1hqm n LEU 871 N -0.58 0.41 -4.75 1.39 4.32 -1.25 -4.35 117.00 112.20 1hqm n LEU 871 Ca 0.46 1.17 -0.40 0.00 -0.02 0.00 0.00 56.01 57.22 1hqm n LEU 871 Cb 0.59 -0.91 -0.06 0.00 -1.62 0.00 0.00 43.42 41.42 1hqm n LEU 871 CO 0.44 -1.55 0.67 0.21 -1.22 0.00 0.00 177.39 175.93 1hqm s ASN 872 N 0.96 7.58 0.20 -1.43 2.47 -1.26 -2.70 114.94 120.75 1hqm s ASN 872 Ca 0.95 1.99 0.19 0.00 0.42 0.00 0.00 52.86 56.41 1hqm s ASN 872 Cb -1.33 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 35.86 1hqm s ASN 872 CO 0.65 0.11 1.12 1.55 -3.72 0.00 0.00 177.10 176.80 1hqm h PRO 873 N 4.06 0.00 -6.96 0.43 0.13 -1.90 -3.44 132.00 124.31 1hqm h PRO 873 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 1hqm h PRO 873 Cb 1.20 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.54 1hqm h PRO 873 CO 0.68 0.21 -0.32 -0.11 -0.23 0.00 0.00 178.00 178.22 1hqm n LEU 874 N -2.92 0.61 0.00 1.56 7.94 -1.26 -3.77 117.00 119.16 1hqm n LEU 874 Ca -0.03 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 1hqm n LEU 874 Cb 0.69 -1.27 0.00 0.00 0.53 0.00 0.00 43.42 43.37 1hqm n LEU 874 CO 0.40 -3.07 0.00 0.61 -1.11 0.00 0.00 177.39 174.22 1hqm n GLY 875 N 1.11 0.31 0.00 -3.96 0.00 -1.26 -3.78 105.19 97.61 1hqm n GLY 875 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1hqm n GLY 875 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1hqm n VAL 876 N 0.00 0.00 0.00 1.61 0.31 -1.26 0.40 118.33 119.39 1hqm n VAL 876 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hqm n VAL 876 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1hqm n VAL 876 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1hqm n PRO 877 N -0.31 0.00 -0.04 5.55 -0.04 -1.25 -0.95 135.00 137.95 1hqm n PRO 877 Ca 0.00 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.91 1hqm n PRO 877 Cb 0.00 -1.27 -0.01 0.00 -0.04 0.00 0.00 33.50 32.17 1hqm n PRO 877 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hqm n SER 878 N -1.87 -0.11 -0.41 3.54 3.41 0.16 0.25 113.62 118.59 1hqm n SER 878 Ca 0.00 1.06 0.34 0.00 -0.26 0.00 0.00 58.87 60.01 1hqm n SER 878 Cb 0.00 -0.46 0.63 0.00 -0.26 0.00 0.00 64.21 64.12 1hqm n SER 878 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1hqm h ARG 879 N 0.00 0.15 -0.01 4.33 3.08 -0.30 -1.33 114.38 120.31 1hqm h ARG 879 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1hqm h ARG 879 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1hqm h ARG 879 CO -0.10 0.10 -0.28 -1.33 -1.07 0.00 0.00 179.97 177.30 1hqm n MET 880 N -4.56 1.69 -1.57 0.04 2.81 0.24 -4.99 117.12 110.79 1hqm n MET 880 Ca 0.33 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.38 1hqm n MET 880 Cb 1.29 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 1hqm n MET 880 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1hqm n ASN 881 N -0.04 -3.29 -2.21 7.83 2.04 0.69 -4.63 115.26 115.65 1hqm n ASN 881 Ca 0.06 0.32 -0.10 0.00 -0.44 0.00 0.00 54.58 54.42 1hqm n ASN 881 Cb 0.32 -0.72 -0.04 0.00 -2.53 0.00 0.00 39.78 36.82 1hqm n ASN 881 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1hqm n LEU 882 N 1.31 0.00 -2.47 -4.53 -0.00 -1.26 -3.13 117.00 106.92 1hqm n LEU 882 Ca 0.00 -1.72 -0.25 0.00 -0.00 0.00 0.00 56.01 54.04 1hqm n LEU 882 Cb 0.11 1.09 0.01 0.00 -0.00 0.00 0.00 43.42 44.63 1hqm n LEU 882 CO 0.00 -0.32 0.15 0.61 -0.00 0.00 0.00 177.39 177.84 1hqm n GLY 883 N -0.35 5.52 0.71 1.47 0.00 -1.26 -4.68 105.19 106.61 1hqm n GLY 883 Ca 0.03 -2.59 0.06 0.00 0.00 0.00 0.00 46.02 43.53 1hqm n GLY 883 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqm n GLN 884 N -0.45 1.90 -0.11 1.61 10.64 -1.26 -3.35 117.38 126.36 1hqm n GLN 884 Ca 0.36 -1.39 -0.19 0.00 -1.83 0.00 0.00 57.00 53.95 1hqm n GLN 884 Cb 0.70 -1.30 -0.12 0.00 -0.86 0.00 0.00 30.24 28.65 1hqm n GLN 884 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1hqm n ILE 885 N 0.63 1.54 0.21 -0.39 2.08 -1.26 -3.97 119.36 118.20 1hqm n ILE 885 Ca 0.13 -0.58 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1hqm n ILE 885 Cb 0.33 -1.49 0.00 0.00 -0.75 0.00 0.00 39.64 37.73 1hqm n ILE 885 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1hqm n LEU 886 N -3.32 3.06 0.00 1.39 4.77 -1.21 -0.86 117.00 120.82 1hqm n LEU 886 Ca -0.44 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 1hqm n LEU 886 Cb 1.00 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1hqm n LEU 886 CO 0.29 0.55 -0.10 1.21 -1.33 0.00 0.00 177.39 178.00 1hqm n GLU 887 N 1.11 0.25 0.15 3.23 2.13 -1.26 -4.53 120.64 121.72 1hqm n GLU 887 Ca 0.00 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1hqm n GLU 887 Cb 0.37 -0.60 0.40 0.00 0.27 0.00 0.00 31.44 31.88 1hqm n GLU 887 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1hqm h THR 888 N 0.00 0.00 0.01 6.31 2.02 -1.13 -2.45 112.91 117.67 1hqm h THR 888 Ca 0.00 -0.54 -0.32 0.00 0.77 0.00 0.00 66.41 66.32 1hqm h THR 888 Cb 0.21 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 1hqm h THR 888 CO 0.00 0.00 -1.76 1.41 0.37 0.00 0.00 175.52 175.54 1hqm n HIS 889 N -2.51 0.70 0.75 3.16 8.25 -0.27 -3.56 115.22 121.73 1hqm n HIS 889 Ca 0.04 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1hqm n HIS 889 Cb 0.40 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.44 1hqm n HIS 889 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1hqm n LEU 890 N -4.24 0.82 0.00 2.41 7.94 -1.23 -3.24 117.00 119.47 1hqm n LEU 890 Ca -0.39 -0.41 0.00 0.00 -1.11 0.00 0.00 56.01 54.09 1hqm n LEU 890 Cb 0.79 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 44.37 1hqm n LEU 890 CO 0.17 0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 1hqm n GLY 891 N 0.15 0.30 0.34 -3.96 0.00 -0.93 -4.07 105.19 97.03 1hqm n GLY 891 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1hqm n GLY 891 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1hqm h LEU 892 N 0.00 0.68 -4.85 0.99 -0.00 -1.72 0.41 115.31 110.82 1hqm h LEU 892 Ca 0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.88 57.62 1hqm h LEU 892 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 1hqm h LEU 892 CO 0.00 0.48 1.23 0.00 -0.00 0.00 0.00 178.44 180.14 1hqm n ALA 893 N -2.45 4.58 0.00 0.17 0.00 -1.20 0.50 120.51 122.11 1hqm n ALA 893 Ca 0.07 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.94 1hqm n ALA 893 Cb 0.10 -2.63 0.00 0.00 0.00 0.00 0.00 19.45 16.92 1hqm n ALA 893 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqm n GLY 894 N 3.18 0.00 0.02 0.00 0.00 0.03 -4.72 105.19 103.69 1hqm n GLY 894 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1hqm n GLY 894 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1hqm n TYR 895 N 0.00 0.23 -0.13 1.61 9.36 0.18 -0.94 117.16 127.47 1hqm n TYR 895 Ca 0.00 0.10 -0.08 0.00 3.32 0.00 0.00 57.90 61.24 1hqm n TYR 895 Cb 0.00 -0.37 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 1hqm n TYR 895 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1hqm h PHE 896 N -0.25 0.51 0.00 2.98 0.05 -1.47 0.18 116.94 118.95 1hqm h PHE 896 Ca 0.00 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1hqm h PHE 896 Cb 0.13 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 37.91 1hqm h PHE 896 CO -0.05 0.32 0.00 -0.11 -0.18 0.00 0.00 178.31 178.28 1hqm n LEU 897 N -4.81 0.00 -3.47 1.54 7.94 -1.25 -4.91 117.00 112.04 1hqm n LEU 897 Ca 0.01 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.69 1hqm n LEU 897 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1hqm n LEU 897 CO 0.34 0.00 -0.21 0.61 -1.11 0.00 0.00 177.39 177.02 1hqm n GLY 898 N 0.25 -0.88 3.18 -3.96 0.00 0.64 -4.85 105.19 99.58 1hqm n GLY 898 Ca 0.10 0.56 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 1hqm n GLY 898 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqm s GLN 899 N -4.04 0.77 0.02 1.61 -0.21 -0.11 -4.99 119.66 112.71 1hqm s GLN 899 Ca 0.05 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 54.60 1hqm s GLN 899 Cb -0.00 0.31 -0.03 0.00 1.00 0.00 0.00 33.01 34.28 1hqm s GLN 899 CO 0.72 -0.23 -0.14 1.03 -2.12 0.00 0.00 175.29 174.55 1hqm s ARG 900 N -3.45 2.26 0.27 2.91 0.52 -1.23 -4.69 118.95 115.53 1hqm s ARG 900 Ca 0.02 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1hqm s ARG 900 Cb 0.03 -2.30 -0.06 0.00 0.52 0.00 0.00 34.95 33.14 1hqm s ARG 900 CO -0.09 0.57 -0.03 0.71 0.02 0.00 0.00 175.30 176.48 1hqm s TYR 901 N -0.93 1.83 -0.36 -0.53 1.51 1.48 -2.55 117.35 117.80 1hqm s TYR 901 Ca 0.15 -0.79 0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1hqm s TYR 901 Cb -0.11 -1.06 0.11 0.00 -0.11 0.00 0.00 41.96 40.79 1hqm s TYR 901 CO 0.06 0.16 0.13 0.42 -1.11 0.00 0.00 175.55 175.21 1hqm s ILE 902 N -3.16 1.40 -0.74 2.71 1.09 0.08 -0.85 121.20 121.73 1hqm s ILE 902 Ca 0.30 -2.01 0.04 0.00 -1.10 0.00 0.00 60.65 57.87 1hqm s ILE 902 Cb 0.05 -2.03 0.21 0.00 -1.06 0.00 0.00 42.46 39.63 1hqm s ILE 902 CO 0.11 -0.73 0.66 -0.24 -0.10 0.00 0.00 174.94 174.64 1hqm n SER 903 N 4.28 3.59 -4.47 3.58 2.88 -1.26 -0.73 113.62 121.49 1hqm n SER 903 Ca 0.02 -3.27 -0.32 0.00 -1.33 0.00 0.00 58.87 53.97 1hqm n SER 903 Cb 0.39 -0.81 0.13 0.00 -0.75 0.00 0.00 64.21 63.18 1hqm n SER 903 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1hqm n PRO 904 N 1.69 -0.39 -1.71 -1.46 -0.04 -1.26 -4.53 135.00 127.30 1hqm n PRO 904 Ca 0.23 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 1hqm n PRO 904 Cb 0.37 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1hqm n PRO 904 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1hqm s VAL 905 N -2.45 3.13 -0.70 0.52 1.01 -1.26 -3.18 120.40 117.48 1hqm s VAL 905 Ca 0.59 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.71 1hqm s VAL 905 Cb -0.21 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1hqm s VAL 905 CO 0.65 -0.09 0.58 0.49 0.00 0.00 0.00 175.10 176.73 1hqm n PHE 906 N 10.62 -1.27 0.00 5.22 0.99 -1.26 -4.70 117.46 127.05 1hqm n PHE 906 Ca 0.26 0.54 0.00 0.00 -0.00 0.00 0.00 57.45 58.26 1hqm n PHE 906 Cb 0.45 -3.77 0.00 0.00 -1.00 0.00 0.00 39.48 35.15 1hqm n PHE 906 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1hqm n ASP 907 N -2.20 0.00 0.00 4.37 2.03 -1.19 -4.95 116.55 114.61 1hqm n ASP 907 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1hqm n ASP 907 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1hqm n ASP 907 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hqm n GLY 908 N 0.00 1.27 3.76 0.27 0.00 -1.26 -3.79 105.19 105.44 1hqm n GLY 908 Ca 0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.80 1hqm n GLY 908 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqm n ALA 909 N -1.10 -2.78 -2.31 4.61 0.00 -1.26 -4.92 120.51 112.74 1hqm n ALA 909 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 1hqm n ALA 909 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 1hqm n ALA 909 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1hqm s THR 910 N -3.01 4.80 0.31 0.00 2.01 -1.26 -4.80 115.64 113.70 1hqm s THR 910 Ca 0.02 0.94 0.14 0.00 0.31 0.00 0.00 61.69 63.10 1hqm s THR 910 Cb -0.01 -3.77 0.33 0.00 0.01 0.00 0.00 72.50 69.06 1hqm s THR 910 CO 0.89 0.28 1.40 1.21 -0.69 0.00 0.00 174.62 177.71 1hqm n GLU 911 N 0.92 -0.06 -0.06 4.92 2.13 -1.26 0.17 120.64 127.40 1hqm n GLU 911 Ca -0.06 1.26 -0.15 0.00 0.66 0.00 0.00 57.16 58.87 1hqm n GLU 911 Cb 0.52 -2.18 -0.06 0.00 0.27 0.00 0.00 31.44 29.99 1hqm n GLU 911 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1hqm h PRO 912 N 0.00 0.70 -0.22 5.31 0.13 -1.97 0.67 132.00 136.61 1hqm h PRO 912 Ca 0.69 -0.48 -0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1hqm h PRO 912 Cb 1.73 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.92 1hqm h PRO 912 CO -0.73 1.10 0.12 0.93 -0.23 0.00 0.00 178.00 179.20 1hqm h GLU 913 N 0.41 0.31 -0.30 0.86 5.08 0.11 2.41 114.58 123.44 1hqm h GLU 913 Ca -0.00 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1hqm h GLU 913 Cb 1.12 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1hqm h GLU 913 CO 0.11 0.28 0.36 0.82 -1.00 0.00 0.00 179.01 179.58 1hqm h ILE 914 N 0.25 0.37 0.00 3.13 2.04 0.18 0.53 117.51 124.01 1hqm h ILE 914 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1hqm h ILE 914 Cb 0.06 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1hqm h ILE 914 CO -0.01 0.00 -0.04 0.11 0.00 0.00 0.00 178.15 178.21 1hqm h LYS 915 N 0.00 0.00 -0.31 2.37 1.79 0.22 -1.83 116.57 118.82 1hqm h LYS 915 Ca 0.14 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.65 1hqm h LYS 915 Cb 0.86 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 1hqm h LYS 915 CO -0.00 0.00 -0.15 -1.91 -1.08 0.00 0.00 179.45 176.31 1hqm n GLU 916 N -2.50 -0.10 0.16 3.15 2.13 0.77 0.62 120.64 124.86 1hqm n GLU 916 Ca -0.01 0.47 -0.06 0.00 0.66 0.00 0.00 57.16 58.22 1hqm n GLU 916 Cb 0.02 -0.69 -0.03 0.00 0.27 0.00 0.00 31.44 31.01 1hqm n GLU 916 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1hqm h LEU 917 N 0.00 -0.34 -0.73 4.31 3.38 -0.14 -0.56 115.31 121.23 1hqm h LEU 917 Ca 0.08 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1hqm h LEU 917 Cb 0.16 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1hqm h LEU 917 CO -0.30 -0.24 0.20 0.25 0.09 0.00 0.00 178.44 178.44 1hqm h LEU 918 N -0.40 0.07 -0.66 1.67 6.46 0.34 0.38 115.31 123.17 1hqm h LEU 918 Ca -0.04 0.14 0.13 0.00 -0.12 0.00 0.00 57.88 57.98 1hqm h LEU 918 Cb 0.31 0.17 -0.13 0.00 -0.73 0.00 0.00 40.66 40.28 1hqm h LEU 918 CO 0.06 -0.01 -0.22 0.00 -0.62 0.00 0.00 178.44 177.66 1hqm h ALA 919 N 1.59 0.31 -3.00 1.25 0.00 1.85 -3.36 119.26 117.90 1hqm h ALA 919 Ca 0.41 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1hqm h ALA 919 Cb 0.68 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1hqm h ALA 919 CO -0.48 -0.49 0.00 -1.91 0.00 0.00 0.00 179.25 176.37 1hqm n GLU 920 N -5.46 2.96 -0.74 0.00 2.13 0.13 -4.01 120.64 115.65 1hqm n GLU 920 Ca 0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1hqm n GLU 920 Cb 0.36 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.07 1hqm n GLU 920 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hqm n ALA 921 N -3.00 -0.16 0.00 4.31 0.00 -1.17 -3.81 120.51 116.68 1hqm n ALA 921 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqm n ALA 921 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1hqm n ALA 921 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hqm n PHE 922 N -0.56 0.00 0.00 0.00 7.35 -1.26 -4.15 117.46 118.84 1hqm n PHE 922 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1hqm n PHE 922 Cb 0.08 0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.97 1hqm n PHE 922 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1hqm n ASN 923 N -2.09 0.00 0.00 -2.13 3.02 -1.25 0.88 115.26 113.69 1hqm n ASN 923 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1hqm n ASN 923 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1hqm n ASN 923 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqm n LEU 924 N -0.86 0.02 -0.12 3.41 -0.00 -1.26 -2.99 117.00 115.20 1hqm n LEU 924 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 1hqm n LEU 924 Cb 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1hqm n LEU 924 CO 0.00 -0.11 0.71 0.22 -0.00 0.00 0.00 177.39 178.21 1hqm h TYR 925 N 0.00 -0.53 0.00 1.47 3.20 -1.34 0.73 116.97 120.50 1hqm h TYR 925 Ca 0.00 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 1hqm h TYR 925 Cb 0.79 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1hqm h TYR 925 CO 0.00 -0.29 -1.05 0.35 -1.64 0.00 0.00 178.16 175.53 1hqm h PHE 926 N -0.13 0.00 -0.06 -3.82 3.57 0.20 -3.26 116.94 113.45 1hqm h PHE 926 Ca 0.20 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1hqm h PHE 926 Cb 0.44 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1hqm h PHE 926 CO -0.45 0.23 0.07 0.78 -2.23 0.00 0.00 178.31 176.70 1hqm h GLY 927 N 3.87 0.00 0.00 2.40 0.00 -0.57 -2.70 103.07 106.08 1hqm h GLY 927 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1hqm h GLY 927 CO 0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.84 1hqm n LYS 928 N -3.78 0.00 -0.13 4.80 5.02 0.23 -4.19 118.16 120.11 1hqm n LYS 928 Ca -0.02 0.33 -0.01 0.00 -2.02 0.00 0.00 58.31 56.60 1hqm n LYS 928 Cb 0.16 -0.84 0.01 0.00 -0.02 0.00 0.00 35.03 34.34 1hqm n LYS 928 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1hqm n ARG 929 N -1.50 -0.09 -1.67 1.97 0.63 -1.17 0.14 116.66 114.98 1hqm n ARG 929 Ca 0.00 0.53 -0.42 0.00 -0.92 0.00 0.00 57.85 57.04 1hqm n ARG 929 Cb 0.00 -0.78 -0.02 0.00 0.45 0.00 0.00 32.46 32.11 1hqm n ARG 929 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1hqm n GLN 930 N -4.50 2.42 0.00 -0.14 6.02 -1.03 -1.72 117.38 118.44 1hqm n GLN 930 Ca 0.03 -2.44 0.00 0.00 -0.01 0.00 0.00 57.00 54.58 1hqm n GLN 930 Cb 0.13 -3.23 0.00 0.00 1.02 0.00 0.00 30.24 28.17 1hqm n GLN 930 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hqm n GLY 931 N 4.46 -1.13 0.41 1.08 0.00 0.37 -4.89 105.19 105.49 1hqm n GLY 931 Ca 0.51 0.41 0.23 0.00 0.00 0.00 0.00 46.02 47.17 1hqm n GLY 931 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hqm h GLU 932 N 0.00 0.00 0.00 1.61 5.08 -1.04 -3.44 114.58 116.80 1hqm h GLU 932 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1hqm h GLU 932 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1hqm h GLU 932 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1hqm n GLY 933 N -1.56 1.61 3.27 -3.84 0.00 -1.06 -5.09 105.19 98.52 1hqm n GLY 933 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1hqm n GLY 933 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hqm s PHE 934 N -2.00 1.05 -0.30 1.61 0.40 -0.70 -5.06 117.98 112.99 1hqm s PHE 934 Ca 0.00 -1.28 -0.17 0.00 -0.60 0.00 0.00 56.93 54.88 1hqm s PHE 934 Cb 0.00 -0.44 0.21 0.00 0.51 0.00 0.00 43.02 43.30 1hqm s PHE 934 CO 0.00 -0.71 1.27 0.20 0.70 0.00 0.00 175.22 176.67 1hqm s GLY 935 N -3.15 0.58 0.00 4.36 0.00 -1.26 -3.43 107.32 104.42 1hqm s GLY 935 Ca 0.36 3.78 0.00 0.00 0.00 0.00 0.00 44.72 48.87 1hqm s GLY 935 CO 0.12 2.67 0.00 -0.62 0.00 0.00 0.00 173.10 175.27 1hqm n VAL 936 N 2.94 0.00 -4.09 1.40 0.31 -1.26 -4.96 118.33 112.67 1hqm n VAL 936 Ca -0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 63.93 1hqm n VAL 936 Cb 0.56 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.43 1hqm n VAL 936 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1hqm s ASP 937 N 0.00 4.52 0.19 4.52 1.47 -1.26 -4.91 116.67 121.20 1hqm s ASP 937 Ca 0.00 -0.97 0.08 0.00 1.18 0.00 0.00 52.55 52.84 1hqm s ASP 937 Cb 0.00 -0.55 0.64 0.00 -0.34 0.00 0.00 42.92 42.67 1hqm s ASP 937 CO 0.00 -0.47 0.87 0.29 0.68 0.00 0.00 175.17 176.54 1hqm n LYS 938 N -1.22 -0.04 -0.02 2.11 5.02 -1.26 0.11 118.16 122.86 1hqm n LYS 938 Ca -0.01 0.78 -0.12 0.00 -2.02 0.00 0.00 58.31 56.94 1hqm n LYS 938 Cb 0.63 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.23 1hqm n LYS 938 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqm h ARG 939 N 0.00 0.15 -0.54 1.97 3.08 -1.99 0.14 114.38 117.19 1hqm h ARG 939 Ca 0.43 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.38 1hqm h ARG 939 Cb 1.07 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1hqm h ARG 939 CO -0.45 0.30 0.05 0.93 -1.07 0.00 0.00 179.97 179.73 1hqm h GLU 940 N -0.03 0.87 -0.04 0.04 5.08 0.39 -2.95 114.58 117.93 1hqm h GLU 940 Ca 0.03 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1hqm h GLU 940 Cb 0.21 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1hqm h GLU 940 CO -0.00 0.84 -0.00 0.87 -1.00 0.00 0.00 179.01 179.71 1hqm h LYS 941 N 0.82 0.07 -1.27 2.33 1.57 -1.19 -1.90 116.57 117.00 1hqm h LYS 941 Ca 0.16 -0.02 0.39 0.00 -1.87 0.00 0.00 60.65 59.31 1hqm h LYS 941 Cb 0.42 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.61 1hqm h LYS 941 CO 0.01 0.37 0.83 1.49 -0.57 0.00 0.00 179.45 181.58 1hqm h GLU 942 N -0.24 0.15 0.00 3.15 4.81 -0.57 -1.40 114.58 120.49 1hqm h GLU 942 Ca 0.01 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1hqm h GLU 942 Cb 0.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1hqm h GLU 942 CO 0.00 0.10 0.00 0.28 -0.73 0.00 0.00 179.01 178.66 1hqm n VAL 943 N -4.61 0.00 -0.19 0.32 0.31 -1.06 -4.21 118.33 108.89 1hqm n VAL 943 Ca 0.34 0.30 0.03 0.00 -0.01 0.00 0.00 64.34 64.99 1hqm n VAL 943 Cb 1.30 -0.92 0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1hqm n VAL 943 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1hqm n LEU 944 N -1.44 -0.22 -0.11 7.52 4.77 -0.74 0.47 117.00 127.25 1hqm n LEU 944 Ca 0.00 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.89 1hqm n LEU 944 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1hqm n LEU 944 CO 0.00 -0.87 0.16 0.00 -1.33 0.00 0.00 177.39 175.35 1hqm n ALA 945 N -3.79 1.79 0.00 -1.18 0.00 -0.55 -0.98 120.51 115.80 1hqm n ALA 945 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1hqm n ALA 945 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1hqm n ALA 945 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1hqm n ARG 946 N -0.32 3.45 0.06 0.00 0.63 1.68 -4.51 116.66 117.65 1hqm n ARG 946 Ca 0.00 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.87 1hqm n ARG 946 Cb 0.02 -0.50 0.10 0.00 0.45 0.00 0.00 32.46 32.53 1hqm n ARG 946 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hqm h ALA 947 N 0.00 0.81 0.00 5.13 0.00 0.11 -1.58 119.26 123.72 1hqm h ALA 947 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1hqm h ALA 947 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1hqm h ALA 947 CO 0.00 0.72 -0.58 1.05 0.00 0.00 0.00 179.25 180.44 1hqm h GLU 948 N 0.24 0.00 -0.84 0.00 4.11 -1.72 0.78 114.58 117.15 1hqm h GLU 948 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1hqm h GLU 948 Cb 1.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1hqm h GLU 948 CO 0.10 0.58 0.51 0.87 0.07 0.00 0.00 179.01 181.13 1hqm h LYS 949 N 0.00 1.14 -0.97 1.06 1.79 -1.68 1.79 116.57 119.70 1hqm h LYS 949 Ca -0.01 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1hqm h LYS 949 Cb 1.32 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1hqm h LYS 949 CO 0.08 0.80 0.00 1.28 -1.08 0.00 0.00 179.45 180.53 1hqm n LEU 950 N -4.37 1.47 -3.76 2.94 4.77 -0.60 -4.81 117.00 112.65 1hqm n LEU 950 Ca 0.09 -0.74 -0.24 0.00 -0.03 0.00 0.00 56.01 55.10 1hqm n LEU 950 Cb 0.06 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 1hqm n LEU 950 CO 0.38 0.30 -0.29 0.61 -1.33 0.00 0.00 177.39 177.05 1hqm n GLY 951 N 0.07 -0.12 0.04 -0.72 0.00 0.61 -4.73 105.19 100.34 1hqm n GLY 951 Ca 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1hqm n GLY 951 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1hqm n LEU 952 N -3.42 0.00 -4.10 0.99 7.94 0.26 -4.95 117.00 113.71 1hqm n LEU 952 Ca -0.17 0.00 -0.20 0.00 -1.11 0.00 0.00 56.01 54.53 1hqm n LEU 952 Cb 0.46 0.21 -0.14 0.00 0.53 0.00 0.00 43.42 44.47 1hqm n LEU 952 CO 0.62 0.21 -0.46 -0.69 -1.11 0.00 0.00 177.39 175.96 1hqm s VAL 953 N -2.70 0.99 -0.12 1.96 1.01 -1.22 -4.93 120.40 115.39 1hqm s VAL 953 Ca -0.07 -0.75 -0.35 0.00 0.00 0.00 0.00 61.98 60.82 1hqm s VAL 953 Cb 0.07 -0.87 -0.12 0.00 0.00 0.00 0.00 36.38 35.46 1hqm s VAL 953 CO 0.64 0.12 1.89 -1.20 0.00 0.00 0.00 175.10 176.55 1hqm n SER 954 N 2.34 3.33 -4.78 3.32 7.64 -1.26 -4.40 113.62 119.81 1hqm n SER 954 Ca -0.16 0.94 -0.30 0.00 1.01 0.00 0.00 58.87 60.36 1hqm n SER 954 Cb 0.55 -1.35 0.09 0.00 -1.01 0.00 0.00 64.21 62.49 1hqm n SER 954 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1hqm s PRO 955 N 4.19 2.06 0.00 1.43 0.04 -1.26 -3.85 135.00 137.61 1hqm s PRO 955 Ca 0.94 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1hqm s PRO 955 Cb -0.72 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1hqm s PRO 955 CO 0.52 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1hqm n GLY 956 N -1.75 1.93 3.61 0.56 0.00 -1.26 -4.99 105.19 103.29 1hqm n GLY 956 Ca 0.07 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1hqm n GLY 956 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hqm n LYS 957 N 0.00 -0.51 -1.22 1.61 5.02 -1.25 -4.97 118.16 116.83 1hqm n LYS 957 Ca 0.00 -0.09 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 1hqm n LYS 957 Cb 0.00 -2.26 0.12 0.00 -0.02 0.00 0.00 35.03 32.87 1hqm n LYS 957 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1hqm s SER 958 N -2.50 3.91 0.15 4.39 1.04 -1.26 -4.73 113.70 114.71 1hqm s SER 958 Ca 0.65 1.64 -0.17 0.00 0.48 0.00 0.00 55.95 58.55 1hqm s SER 958 Cb -0.23 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1hqm s SER 958 CO 0.60 -2.38 1.75 1.55 0.98 0.00 0.00 173.24 175.75 1hqm h PRO 959 N -1.37 0.25 -0.92 4.02 0.13 -1.99 0.30 132.00 132.43 1hqm h PRO 959 Ca -0.47 -0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.78 1hqm h PRO 959 Cb 1.26 -0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1hqm h PRO 959 CO 0.53 0.17 0.54 1.49 -0.23 0.00 0.00 178.00 180.50 1hqm h GLU 960 N 0.26 0.80 -0.61 0.86 4.81 -2.00 0.55 114.58 119.26 1hqm h GLU 960 Ca 0.14 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1hqm h GLU 960 Cb 0.11 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1hqm h GLU 960 CO -0.14 0.53 0.15 0.93 -0.73 0.00 0.00 179.01 179.75 1hqm h GLU 961 N 0.82 0.94 -0.03 1.92 5.08 -1.25 -2.37 114.58 119.69 1hqm h GLU 961 Ca 0.48 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1hqm h GLU 961 Cb 0.56 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1hqm h GLU 961 CO -0.30 0.83 -0.40 1.96 -1.00 0.00 0.00 179.01 180.10 1hqm h GLN 962 N 0.90 0.05 0.00 2.33 4.20 0.16 -3.02 115.11 119.73 1hqm h GLN 962 Ca 0.20 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1hqm h GLN 962 Cb 0.31 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1hqm h GLN 962 CO -0.00 0.44 0.00 1.28 -0.67 0.00 0.00 178.83 179.88 1hqm n LEU 963 N -4.06 0.00 -0.14 1.46 7.99 -0.27 -0.38 117.00 121.60 1hqm n LEU 963 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.11 1hqm n LEU 963 Cb 0.44 0.00 0.23 0.00 -0.11 0.00 0.00 43.42 43.98 1hqm n LEU 963 CO 0.40 0.00 0.44 1.17 -1.51 0.00 0.00 177.39 177.89 1hqm n LYS 964 N 0.00 -0.03 0.16 3.23 4.81 -1.23 0.49 118.16 125.59 1hqm n LYS 964 Ca 0.00 0.62 -0.14 0.00 -0.87 0.00 0.00 58.31 57.91 1hqm n LYS 964 Cb 0.00 -1.08 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 1hqm n LYS 964 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1hqm h GLU 965 N 0.00 -0.61 -0.96 1.64 4.81 -1.44 -1.52 114.58 116.50 1hqm h GLU 965 Ca 0.35 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1hqm h GLU 965 Cb 0.90 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1hqm h GLU 965 CO -0.35 -0.41 0.00 -0.11 -0.73 0.00 0.00 179.01 177.41 1hqm n LEU 966 N -5.44 1.50 -0.03 1.64 7.94 1.82 -3.41 117.00 121.02 1hqm n LEU 966 Ca -0.08 -0.75 -0.04 0.00 -1.11 0.00 0.00 56.01 54.03 1hqm n LEU 966 Cb 0.35 -0.43 -0.03 0.00 0.53 0.00 0.00 43.42 43.84 1hqm n LEU 966 CO 0.24 0.29 -0.69 0.33 -1.11 0.00 0.00 177.39 176.45 1hqm n PHE 967 N 0.26 0.00 0.07 1.96 7.35 -0.59 -2.24 117.46 124.28 1hqm n PHE 967 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 1hqm n PHE 967 Cb 0.29 -0.23 -0.06 0.00 0.35 0.00 0.00 39.48 39.84 1hqm n PHE 967 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1hqm h ASP 968 N -0.01 -0.23 0.00 -2.13 3.32 -1.54 -3.38 116.42 112.46 1hqm h ASP 968 Ca -0.13 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1hqm h ASP 968 Cb 1.20 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1hqm h ASP 968 CO -0.02 -0.13 0.00 -0.11 -1.72 0.00 0.00 179.24 177.26 1hqm n LEU 969 N -5.20 0.00 0.00 1.55 7.94 -1.26 -4.93 117.00 115.10 1hqm n LEU 969 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 1hqm n LEU 969 Cb 0.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.08 1hqm n LEU 969 CO 0.30 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.19 1hqm n GLY 970 N 2.14 -1.66 0.00 -3.96 0.00 -1.26 -5.01 105.19 95.44 1hqm n GLY 970 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1hqm n GLY 970 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hqm n LYS 971 N 0.00 0.00 0.00 1.61 5.02 -0.95 -4.57 118.16 119.27 1hqm n LYS 971 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1hqm n LYS 971 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1hqm n LYS 971 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hqm n VAL 972 N -0.09 0.00 -0.37 -0.18 0.31 -1.25 -3.68 118.33 113.07 1hqm n VAL 972 Ca 0.00 0.00 0.30 0.00 -0.01 0.00 0.00 64.34 64.63 1hqm n VAL 972 Cb 0.00 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.43 1hqm n VAL 972 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1hqm n VAL 973 N 0.00 -0.14 -2.90 2.52 0.31 -1.26 -4.24 118.33 112.63 1hqm n VAL 973 Ca 0.00 1.21 -0.00 0.00 -0.01 0.00 0.00 64.34 65.53 1hqm n VAL 973 Cb 0.00 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 1hqm n VAL 973 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1hqm n LEU 974 N -3.91 -6.41 -4.74 7.52 7.94 -1.26 -4.38 117.00 111.77 1hqm n LEU 974 Ca 0.29 1.05 -0.31 0.00 -1.11 0.00 0.00 56.01 55.93 1hqm n LEU 974 Cb 1.17 -2.71 0.12 0.00 0.53 0.00 0.00 43.42 42.52 1hqm n LEU 974 CO 0.17 -2.55 0.69 -0.31 -1.11 0.00 0.00 177.39 174.28 1hqm s TYR 975 N -1.42 2.26 -1.00 1.96 4.12 -0.42 -4.05 117.35 118.80 1hqm s TYR 975 Ca 0.01 1.64 -0.04 0.00 0.02 0.00 0.00 57.07 58.70 1hqm s TYR 975 Cb -0.00 -3.15 0.27 0.00 -1.52 0.00 0.00 41.96 37.56 1hqm s TYR 975 CO 0.51 -2.14 1.13 -3.47 0.02 0.00 0.00 175.55 171.60 1hqm n ASP 976 N -3.75 5.33 0.00 2.29 2.03 -1.21 -1.18 116.55 120.06 1hqm n ASP 976 Ca 0.10 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.16 1hqm n ASP 976 Cb 0.53 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 1hqm n ASP 976 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1hqm n GLY 977 N 1.88 0.00 0.00 0.27 0.00 -1.07 -2.54 105.19 103.73 1hqm n GLY 977 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1hqm n GLY 977 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hqm n ARG 978 N -0.52 0.00 0.00 1.61 0.63 -1.19 -4.40 116.66 112.79 1hqm n ARG 978 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1hqm n ARG 978 Cb 0.13 -0.44 0.00 0.00 0.45 0.00 0.00 32.46 32.60 1hqm n ARG 978 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1hqm n THR 979 N -0.24 0.00 0.00 5.15 -1.04 -1.05 -4.89 114.28 112.21 1hqm n THR 979 Ca 0.00 0.61 0.00 0.00 -2.04 0.00 0.00 64.05 62.62 1hqm n THR 979 Cb 0.00 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1hqm n THR 979 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqm n GLY 980 N 1.24 1.51 2.39 3.41 0.00 -1.22 -5.09 105.19 107.43 1hqm n GLY 980 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1hqm n GLY 980 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1hqm n GLU 981 N 0.00 -4.14 -2.89 1.61 4.71 -1.26 -4.63 120.64 114.03 1hqm n GLU 981 Ca 0.00 -1.09 -0.20 0.00 -0.01 0.00 0.00 57.16 55.87 1hqm n GLU 981 Cb 0.00 -1.43 0.05 0.00 -1.01 0.00 0.00 31.44 29.05 1hqm n GLU 981 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1hqm s PRO 982 N -4.53 2.40 -0.50 3.49 0.04 -1.26 -3.34 135.00 131.30 1hqm s PRO 982 Ca 0.50 -1.30 -0.16 0.00 0.04 0.00 0.00 61.00 60.08 1hqm s PRO 982 Cb -0.09 -2.61 0.09 0.00 0.04 0.00 0.00 34.50 31.93 1hqm s PRO 982 CO 0.42 -0.75 0.48 -0.06 0.04 0.00 0.00 177.00 177.13 1hqm s PHE 983 N -2.66 3.20 -0.43 0.56 2.99 -1.26 -4.84 117.98 115.54 1hqm s PHE 983 Ca 0.60 -0.97 -0.35 0.00 0.00 0.00 0.00 56.93 56.21 1hqm s PHE 983 Cb -0.08 -3.45 -0.12 0.00 0.00 0.00 0.00 43.02 39.37 1hqm s PHE 983 CO 0.38 -0.93 2.26 -0.85 -0.00 0.00 0.00 175.22 176.08 1hqm n GLU 984 N 5.44 0.90 0.00 0.44 0.28 -1.26 -4.31 120.64 122.13 1hqm n GLU 984 Ca -0.12 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1hqm n GLU 984 Cb 0.43 -2.40 0.00 0.00 1.43 0.00 0.00 31.44 30.90 1hqm n GLU 984 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1hqm n GLY 985 N 6.56 2.20 3.23 -1.84 0.00 -1.26 -5.06 105.19 109.01 1hqm n GLY 985 Ca 0.44 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1hqm n GLY 985 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hqm n PRO 986 N 2.06 -2.36 -3.03 1.61 -0.04 -1.26 -4.96 135.00 127.01 1hqm n PRO 986 Ca 0.00 -0.68 -0.16 0.00 -0.04 0.00 0.00 63.50 62.61 1hqm n PRO 986 Cb 0.00 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1hqm n PRO 986 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1hqm n ILE 987 N -4.71 -0.50 -0.27 0.52 2.08 -1.24 -5.01 119.36 110.23 1hqm n ILE 987 Ca 0.04 -2.57 -0.10 0.00 0.56 0.00 0.00 62.75 60.67 1hqm n ILE 987 Cb 0.55 -0.37 -0.01 0.00 -0.75 0.00 0.00 39.64 39.06 1hqm n ILE 987 CO 0.00 0.00 0.00 0.55 0.56 0.00 0.00 176.55 177.66 1hqm n VAL 988 N 2.16 0.00 -4.40 1.39 3.14 -1.26 -4.35 118.33 115.01 1hqm n VAL 988 Ca 0.20 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.30 1hqm n VAL 988 Cb 0.55 -0.05 -0.12 0.00 -1.06 0.00 0.00 33.84 33.15 1hqm n VAL 988 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1hqm s VAL 989 N 0.30 2.28 0.00 1.55 1.01 -1.26 -2.09 120.40 122.18 1hqm s VAL 989 Ca 0.16 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1hqm s VAL 989 Cb -0.23 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.12 1hqm s VAL 989 CO 0.12 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1hqm n GLY 990 N 0.64 0.87 3.44 4.51 0.00 0.15 -4.60 105.19 110.21 1hqm n GLY 990 Ca -0.16 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 1hqm n GLY 990 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqm s GLN 991 N -2.00 3.15 0.00 1.61 -0.21 -1.25 0.33 119.66 121.29 1hqm s GLN 991 Ca 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1hqm s GLN 991 Cb 0.00 -4.31 0.00 0.00 1.00 0.00 0.00 33.01 29.70 1hqm s GLN 991 CO 0.00 -1.76 0.00 -0.12 -2.12 0.00 0.00 175.29 171.29 1hqm n MET 992 N 7.32 0.00 0.00 2.91 1.56 0.19 -4.64 117.12 124.46 1hqm n MET 992 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1hqm n MET 992 Cb 0.45 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.82 1hqm n MET 992 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1hqm n PHE 993 N 0.00 0.00 -3.68 1.12 -0.00 -1.26 -3.92 117.46 109.72 1hqm n PHE 993 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.10 1hqm n PHE 993 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.40 1hqm n PHE 993 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1hqm s ILE 994 N 0.00 5.38 0.63 -2.13 -1.09 -0.43 -4.40 121.20 119.16 1hqm s ILE 994 Ca 0.00 0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1hqm s ILE 994 Cb 0.00 -3.51 0.05 0.00 -1.58 0.00 0.00 42.46 37.42 1hqm s ILE 994 CO 0.00 0.43 0.89 -0.04 -1.23 0.00 0.00 174.94 174.99 1hqm s MET 995 N 0.37 2.32 -0.53 2.79 -1.94 -0.89 -2.90 119.30 118.52 1hqm s MET 995 Ca 0.10 -0.60 0.07 0.00 -1.71 0.00 0.00 55.69 53.56 1hqm s MET 995 Cb -0.12 -2.34 0.31 0.00 2.01 0.00 0.00 34.83 34.69 1hqm s MET 995 CO -0.00 -1.00 0.80 1.17 -0.01 0.00 0.00 175.02 175.98 1hqm n LYS 996 N -2.62 2.27 -0.56 2.03 4.81 -1.26 -4.20 118.16 118.61 1hqm n LYS 996 Ca 0.09 -4.29 -0.22 0.00 -0.87 0.00 0.00 58.31 53.01 1hqm n LYS 996 Cb 0.60 -2.00 -0.03 0.00 0.02 0.00 0.00 35.03 33.62 1hqm n LYS 996 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1hqm n LEU 997 N 0.34 0.16 -4.00 3.14 4.77 -1.21 -4.54 117.00 115.66 1hqm n LEU 997 Ca 0.28 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.56 1hqm n LEU 997 Cb 0.47 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1hqm n LEU 997 CO 0.31 -0.53 0.94 0.00 -1.33 0.00 0.00 177.39 176.79 1hqm n TYR 998 N 0.87 0.16 -2.03 -1.77 9.36 -0.47 -3.79 117.16 119.49 1hqm n TYR 998 Ca 0.09 -0.13 -0.02 0.00 3.32 0.00 0.00 57.90 61.16 1hqm n TYR 998 Cb 0.01 -0.90 -0.02 0.00 -0.63 0.00 0.00 39.34 37.80 1hqm n TYR 998 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1hqm n HIS 999 N 7.91 0.00 -1.55 2.98 8.25 -1.26 -5.09 115.22 126.46 1hqm n HIS 999 Ca 0.17 -0.17 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1hqm n HIS 999 Cb 0.40 0.26 0.03 0.00 1.12 0.00 0.00 29.99 31.80 1hqm n HIS 999 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hqm n MET 1000N 0.03 0.86 -0.18 -0.41 0.00 -1.25 -4.46 117.12 111.71 1hqm n MET 1000Ca -0.08 0.32 -0.02 0.00 0.00 0.00 0.00 57.70 57.93 1hqm n MET 1000Cb 0.62 -1.90 0.08 0.00 0.00 0.00 0.00 33.22 32.02 1hqm n MET 1000CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1hqm h VAL 1001N 0.76 0.86 -0.73 3.17 2.07 -1.90 -3.22 116.25 117.25 1hqm h VAL 1001Ca -0.45 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.02 1hqm h VAL 1001Cb 1.37 0.37 -0.11 0.00 -1.52 0.00 0.00 31.29 31.40 1hqm h VAL 1001CO 0.51 0.08 -0.31 -0.62 0.02 0.00 0.00 177.57 177.25 1hqm n GLU 1002N -4.95 -0.20 0.23 1.57 1.02 -1.26 0.19 120.64 117.24 1hqm n GLU 1002Ca 0.07 1.12 0.16 0.00 -0.02 0.00 0.00 57.16 58.48 1hqm n GLU 1002Cb 0.21 -1.65 0.83 0.00 -0.02 0.00 0.00 31.44 30.80 1hqm n GLU 1002CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1hqm h ASP 1003N 0.00 0.00 -0.63 1.62 3.45 -1.93 -3.42 116.42 115.51 1hqm h ASP 1003Ca 0.23 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 57.13 1hqm h ASP 1003Cb 0.41 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.15 1hqm h ASP 1003CO -0.71 0.00 -0.25 -0.54 -1.57 0.00 0.00 179.24 176.16 1hqm s LYS 1004N -3.78 2.27 0.03 3.56 1.02 0.51 -5.01 119.74 118.34 1hqm s LYS 1004Ca -0.03 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.04 1hqm s LYS 1004Cb 0.09 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 1hqm s LYS 1004CO 0.28 -0.67 0.00 -0.12 -0.92 0.00 0.00 175.35 173.92 1hqm n MET 1005N -1.88 -2.32 -4.20 1.68 0.00 -1.26 -4.97 117.12 104.18 1hqm n MET 1005Ca 0.03 1.96 -0.15 0.00 -0.00 0.00 0.00 57.70 59.53 1hqm n MET 1005Cb 0.64 -2.26 -0.08 0.00 0.00 0.00 0.00 33.22 31.52 1hqm n MET 1005CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1hqm s HIS 1006N -0.26 1.33 -0.25 1.12 2.46 -1.26 -5.04 115.29 113.38 1hqm s HIS 1006Ca 0.00 -1.43 -0.18 0.00 0.47 0.00 0.00 55.06 53.92 1hqm s HIS 1006Cb 0.00 -0.47 0.07 0.00 -0.13 0.00 0.00 32.58 32.05 1hqm s HIS 1006CO 0.00 -0.87 0.65 0.00 -2.47 0.00 0.00 174.74 172.05 1hqm s ALA 1007N -3.62 -1.68 0.50 1.58 0.00 -1.26 -5.11 121.76 112.16 1hqm s ALA 1007Ca 0.37 2.09 0.04 0.00 0.00 0.00 0.00 51.96 54.45 1hqm s ALA 1007Cb 0.03 -1.23 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 1hqm s ALA 1007CO 0.20 -0.34 0.13 0.50 0.00 0.00 0.00 175.76 176.25 1hqm s ARG 1008N 1.08 2.19 0.00 0.00 3.52 -1.26 -4.78 118.95 119.70 1hqm s ARG 1008Ca -0.06 -2.20 0.00 0.00 -0.13 0.00 0.00 55.73 53.34 1hqm s ARG 1008Cb -0.05 -1.75 0.00 0.00 -1.56 0.00 0.00 34.95 31.59 1hqm s ARG 1008CO -0.11 -0.36 0.00 0.45 -0.81 0.00 0.00 175.30 174.47 1hqm n SER 1009N -1.36 0.00 0.00 -2.12 2.88 -1.26 -5.01 113.62 106.75 1hqm n SER 1009Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1hqm n SER 1009Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 1hqm n SER 1009CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1hqm n THR 1010N -0.31 0.00 0.00 2.46 -2.24 -1.26 -5.11 114.28 107.83 1hqm n THR 1010Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1hqm n THR 1010Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1hqm n THR 1010CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqm n GLY 1011N -0.08 0.46 0.78 3.38 0.00 -1.26 -4.58 105.19 103.89 1hqm n GLY 1011Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1hqm n GLY 1011CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hqm n PRO 1012N 0.00 0.00 -3.50 1.61 -0.02 -1.26 -4.81 135.00 127.02 1hqm n PRO 1012Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1hqm n PRO 1012Cb 0.00 -0.26 -0.06 0.00 -0.02 0.00 0.00 33.50 33.16 1hqm n PRO 1012CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1hqm s TYR 1013N 0.12 3.65 0.66 6.00 5.04 -1.26 -2.37 117.35 129.19 1hqm s TYR 1013Ca 0.00 0.93 -0.08 0.00 -2.44 0.00 0.00 57.07 55.49 1hqm s TYR 1013Cb 0.00 -2.26 0.03 0.00 0.35 0.00 0.00 41.96 40.08 1hqm s TYR 1013CO 0.00 0.56 0.99 0.45 -1.34 0.00 0.00 175.55 176.21 1hqm s SER 1014N -1.46 5.26 -0.08 4.32 0.15 -1.26 -4.81 113.70 115.82 1hqm s SER 1014Ca 0.30 0.72 0.12 0.00 0.70 0.00 0.00 55.95 57.79 1hqm s SER 1014Cb -0.15 -1.54 0.18 0.00 -1.71 0.00 0.00 66.02 62.80 1hqm s SER 1014CO 0.16 -1.33 1.08 0.00 1.20 0.00 0.00 173.24 174.36 1hqm n LEU 1015N -2.81 1.62 0.00 3.45 -0.00 -1.26 -3.91 117.00 114.09 1hqm n LEU 1015Ca 0.06 -2.36 0.00 0.00 -0.00 0.00 0.00 56.01 53.71 1hqm n LEU 1015Cb 0.59 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 1hqm n LEU 1015CO 0.54 0.55 -0.30 -0.38 -0.00 0.00 0.00 177.39 177.80 1hqm n ILE 1016N -0.95 0.00 0.39 1.47 2.08 -1.26 -4.83 119.36 116.26 1hqm n ILE 1016Ca 0.10 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.45 1hqm n ILE 1016Cb 0.63 -0.74 -0.02 0.00 -0.75 0.00 0.00 39.64 38.76 1hqm n ILE 1016CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1hqm n THR 1017N -2.49 0.00 -0.98 1.39 -2.24 -1.26 -5.01 114.28 103.69 1hqm n THR 1017Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1hqm n THR 1017Cb 0.30 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 1hqm n THR 1017CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1hqm n GLN 1018N -0.64 -1.62 -5.23 -0.78 0.00 -1.25 -4.88 117.38 102.98 1hqm n GLN 1018Ca 0.03 0.40 -0.32 0.00 -0.00 0.00 0.00 57.00 57.11 1hqm n GLN 1018Cb 0.16 -4.68 -0.17 0.00 0.00 0.00 0.00 30.24 25.56 1hqm n GLN 1018CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1hqm s GLN 1019N -1.66 2.85 -0.09 3.69 -2.07 -1.26 -4.13 119.66 116.99 1hqm s GLN 1019Ca 0.00 -0.89 -0.08 0.00 -1.82 0.00 0.00 55.36 52.58 1hqm s GLN 1019Cb 0.00 -2.25 -0.03 0.00 -1.09 0.00 0.00 33.01 29.64 1hqm s GLN 1019CO 0.00 0.27 0.37 -2.30 -1.32 0.00 0.00 175.29 172.31 1hqm n PRO 1020N 3.27 0.00 -3.60 9.60 -0.02 -1.26 -4.09 135.00 138.90 1hqm n PRO 1020Ca -0.18 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.32 1hqm n PRO 1020Cb 0.53 -0.26 -0.06 0.00 -0.02 0.00 0.00 33.50 33.68 1hqm n PRO 1020CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1hqm s LEU 1021N 1.04 -0.11 0.62 2.45 1.43 -1.00 -4.81 118.68 118.30 1hqm s LEU 1021Ca 0.21 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1hqm s LEU 1021Cb -0.26 1.16 0.00 0.00 0.03 0.00 0.00 46.19 47.12 1hqm s LEU 1021CO 0.12 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1hqm n GLY 1022N 3.30 -3.40 0.00 -3.19 0.00 -1.26 -4.15 105.19 96.49 1hqm n GLY 1022Ca -0.16 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1hqm n GLY 1022CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqm n GLY 1023N -4.31 -0.54 0.00 -0.02 0.00 -1.26 -4.09 105.19 94.96 1hqm n GLY 1023Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1hqm n GLY 1023CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1hqm n LYS 1024N 0.00 0.00 0.00 1.61 5.02 -1.26 -5.01 118.16 118.52 1hqm n LYS 1024Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1hqm n LYS 1024Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1hqm n LYS 1024CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqm n ALA 1025N -1.38 0.00 -0.97 7.82 0.00 -1.26 -4.60 120.51 120.11 1hqm n ALA 1025Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1hqm n ALA 1025Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1hqm n ALA 1025CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1hqm n GLN 1026N 0.00 0.00 0.00 0.00 3.00 -1.26 -4.85 117.38 114.27 1hqm n GLN 1026Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1hqm n GLN 1026Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1hqm n GLN 1026CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1hqm n PHE 1027N -0.67 0.00 0.00 1.08 7.35 -1.26 -4.71 117.46 119.25 1hqm n PHE 1027Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1hqm n PHE 1027Cb 0.00 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 39.78 1hqm n PHE 1027CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hqm n GLY 1028N 0.92 0.05 0.54 7.13 0.00 -1.26 -4.70 105.19 107.87 1hqm n GLY 1028Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1hqm n GLY 1028CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqm n GLY 1029N 0.00 -3.15 3.43 -0.02 0.00 -1.26 -4.86 105.19 99.34 1hqm n GLY 1029Ca 0.00 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 1hqm n GLY 1029CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1hqm s GLN 1030N -2.82 2.14 0.12 1.61 2.00 -1.26 -5.02 119.66 116.43 1hqm s GLN 1030Ca 0.00 -0.93 -0.18 0.00 -2.00 0.00 0.00 55.36 52.25 1hqm s GLN 1030Cb 0.00 -2.19 -0.07 0.00 0.80 0.00 0.00 33.01 31.55 1hqm s GLN 1030CO 0.00 0.56 0.59 0.50 -0.50 0.00 0.00 175.29 176.44 1hqm s ARG 1031N -1.18 4.15 -0.53 1.67 3.00 -1.26 -5.03 118.95 119.77 1hqm s ARG 1031Ca 0.13 0.70 0.07 0.00 -1.00 0.00 0.00 55.73 55.63 1hqm s ARG 1031Cb -0.10 -3.09 0.30 0.00 0.00 0.00 0.00 34.95 32.05 1hqm s ARG 1031CO 0.03 0.55 0.76 0.34 0.00 0.00 0.00 175.30 176.98 1hqm n PHE 1032N 1.27 2.39 -0.81 5.12 7.35 -1.26 -5.11 117.46 126.41 1hqm n PHE 1032Ca -0.07 -3.93 -0.09 0.00 -0.76 0.00 0.00 57.45 52.59 1hqm n PHE 1032Cb 0.51 -0.47 0.01 0.00 0.35 0.00 0.00 39.48 39.87 1hqm n PHE 1032CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hqm n GLY 1033N 0.52 -1.47 0.19 7.13 0.00 -1.26 -4.79 105.19 105.51 1hqm n GLY 1033Ca 0.28 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 1hqm n GLY 1033CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1hqm h GLU 1034N -1.75 -0.38 -0.90 1.61 4.11 -2.01 -3.18 114.58 112.08 1hqm h GLU 1034Ca -0.09 0.03 0.32 0.00 0.07 0.00 0.00 59.36 59.69 1hqm h GLU 1034Cb 0.33 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.57 1hqm h GLU 1034CO 0.05 -0.05 0.57 -1.33 0.07 0.00 0.00 179.01 178.31 1hqm n MET 1035N -5.11 -0.03 0.16 1.06 2.81 -1.26 0.42 117.12 115.16 1hqm n MET 1035Ca -0.09 0.88 0.04 0.00 -1.81 0.00 0.00 57.70 56.72 1hqm n MET 1035Cb 0.26 -1.71 0.11 0.00 -0.71 0.00 0.00 33.22 31.17 1hqm n MET 1035CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1hqm h GLU 1036N 0.00 0.00 0.34 0.03 3.07 -1.87 -2.60 114.58 113.56 1hqm h GLU 1036Ca 0.60 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.45 1hqm h GLU 1036Cb 1.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.80 1hqm h GLU 1036CO -0.36 0.43 -0.17 0.28 -1.40 0.00 0.00 179.01 177.79 1hqm h VAL 1037N 0.00 0.68 -0.42 3.13 2.07 0.83 -0.88 116.25 121.65 1hqm h VAL 1037Ca -0.00 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.37 1hqm h VAL 1037Cb 1.25 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 1hqm h VAL 1037CO 0.06 0.05 -0.06 -0.50 0.02 0.00 0.00 177.57 177.13 1hqm h TRP 1038N -0.59 -0.14 -0.94 1.57 6.55 -1.53 0.39 115.95 121.26 1hqm h TRP 1038Ca -0.05 0.03 0.11 0.00 0.95 0.00 0.00 58.89 59.94 1hqm h TRP 1038Cb 0.43 0.12 -0.13 0.00 -0.86 0.00 0.00 29.16 28.72 1hqm h TRP 1038CO -0.02 -0.14 -0.51 0.00 -1.05 0.00 0.00 178.44 176.72 1hqm h ALA 1039N 1.40 -0.31 -0.35 1.49 0.00 -0.98 1.35 119.26 121.86 1hqm h ALA 1039Ca 0.21 0.17 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 1hqm h ALA 1039Cb 0.31 1.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1hqm h ALA 1039CO -0.40 -0.85 -0.42 -0.07 0.00 0.00 0.00 179.25 177.52 1hqm h LEU 1040N -0.03 0.95 0.17 0.00 -0.00 -0.27 -2.47 115.31 113.65 1hqm h LEU 1040Ca 0.22 -0.45 0.02 0.00 -0.00 0.00 0.00 57.88 57.67 1hqm h LEU 1040Cb 0.49 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.84 1hqm h LEU 1040CO -0.92 1.24 -0.37 -0.33 -0.00 0.00 0.00 178.44 178.05 1hqm h GLU 1041N 0.71 -0.61 -0.76 1.13 5.08 0.26 -2.30 114.58 118.09 1hqm h GLU 1041Ca 0.05 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.62 1hqm h GLU 1041Cb 1.01 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 30.28 1hqm h GLU 1041CO 0.10 -0.41 0.18 0.00 -1.00 0.00 0.00 179.01 177.89 1hqm h ALA 1042N -0.09 1.00 -3.00 3.43 0.00 0.17 -3.35 119.26 117.42 1hqm h ALA 1042Ca 0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1hqm h ALA 1042Cb 0.64 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1hqm h ALA 1042CO -0.18 -0.36 0.00 0.66 0.00 0.00 0.00 179.25 179.37 1hqm n TYR 1043N -5.17 0.00 -1.90 0.00 4.02 -0.87 -5.00 117.16 108.23 1hqm n TYR 1043Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1hqm n TYR 1043Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1hqm n TYR 1043CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1hqm n GLY 1044N 2.63 0.60 2.41 2.72 0.00 -1.19 -4.98 105.19 107.39 1hqm n GLY 1044Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1hqm n GLY 1044CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqm n ALA 1045N 0.00 3.66 -0.24 4.61 0.00 -1.25 -4.63 120.51 122.66 1hqm n ALA 1045Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 53.44 52.24 1hqm n ALA 1045Cb 0.50 -2.49 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 1hqm n ALA 1045CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqm h ALA 1046N 5.30 -0.51 -0.25 0.00 0.00 -1.94 0.38 119.26 122.24 1hqm h ALA 1046Ca 0.19 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1hqm h ALA 1046Cb 0.51 1.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 1hqm h ALA 1046CO 0.71 -0.78 -0.21 0.45 0.00 0.00 0.00 179.25 179.42 1hqm h HIS 1047N -0.11 -0.55 -0.74 0.00 3.86 -2.00 0.31 115.15 115.91 1hqm h HIS 1047Ca 0.10 0.04 0.22 0.00 -1.16 0.00 0.00 60.37 59.56 1hqm h HIS 1047Cb 0.36 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 1hqm h HIS 1047CO -0.89 -0.29 0.56 1.15 0.86 0.00 0.00 177.93 179.32 1hqm h THR 1048N -0.21 0.57 0.09 2.45 2.02 -1.43 -1.15 112.91 115.24 1hqm h THR 1048Ca 0.14 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1hqm h THR 1048Cb 0.42 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1hqm h THR 1048CO -0.38 0.00 -0.04 0.25 0.37 0.00 0.00 175.52 175.72 1hqm h LEU 1049N 0.00 -0.10 -0.98 2.58 5.85 0.33 -3.36 115.31 119.63 1hqm h LEU 1049Ca 0.35 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 59.03 1hqm h LEU 1049Cb 1.47 0.03 -0.17 0.00 0.37 0.00 0.00 40.66 42.36 1hqm h LEU 1049CO -0.00 0.48 -0.35 -0.61 -0.34 0.00 0.00 178.44 177.61 1hqm h GLN 1050N -1.01 -0.01 -0.85 1.25 4.15 0.02 0.70 115.11 119.37 1hqm h GLN 1050Ca -0.01 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.65 1hqm h GLN 1050Cb 0.29 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1hqm h GLN 1050CO 0.02 -0.00 0.93 1.49 -1.93 0.00 0.00 178.83 179.33 1hqm h GLU 1051N -0.01 0.00 -0.22 1.69 4.81 -1.40 1.51 114.58 120.96 1hqm h GLU 1051Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1hqm h GLU 1051Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1hqm h GLU 1051CO -0.98 0.00 0.00 -0.12 -0.73 0.00 0.00 179.01 177.18 1hqm n MET 1052N -3.47 1.94 -0.70 1.92 1.56 0.24 -2.65 117.12 115.97 1hqm n MET 1052Ca 0.18 -1.41 0.01 0.00 -0.27 0.00 0.00 57.70 56.21 1hqm n MET 1052Cb 1.20 -1.43 0.00 0.00 2.15 0.00 0.00 33.22 35.15 1hqm n MET 1052CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1hqm n LEU 1053N 0.64 0.19 0.00 -0.89 7.99 0.49 -4.87 117.00 120.55 1hqm n LEU 1053Ca 0.17 -1.20 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 1hqm n LEU 1053Cb 0.41 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1hqm n LEU 1053CO 0.14 0.32 0.00 0.41 -1.51 0.00 0.00 177.39 176.75 1hqm n THR 1054N 0.10 0.00 0.00 -5.08 -1.04 0.12 -4.75 114.28 103.62 1hqm n THR 1054Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1hqm n THR 1054Cb 0.78 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1hqm n THR 1054CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1hqm n ILE 1055N 0.00 0.00 -2.56 12.58 -0.00 -1.22 -2.79 119.36 125.38 1hqm n ILE 1055Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.78 1hqm n ILE 1055Cb 0.00 -0.16 0.02 0.00 -0.00 0.00 0.00 39.64 39.50 1hqm n ILE 1055CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1hqm n LYS 1056N 0.15 0.38 0.00 0.38 5.02 -1.08 -4.35 118.16 118.66 1hqm n LYS 1056Ca 0.00 -2.28 0.00 0.00 -2.02 0.00 0.00 58.31 54.01 1hqm n LYS 1056Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1hqm n LYS 1056CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1hqm n SER 1057N 0.23 0.00 -0.04 4.39 2.88 -1.12 -4.90 113.62 115.06 1hqm n SER 1057Ca 0.05 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.51 1hqm n SER 1057Cb 1.06 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.45 1hqm n SER 1057CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1hqm h ASP 1058N 0.00 -0.03 -0.12 -3.46 3.32 -1.76 -3.39 116.42 110.97 1hqm h ASP 1058Ca 0.00 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1hqm h ASP 1058Cb 0.00 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1hqm h ASP 1058CO 0.00 0.70 0.89 -0.67 -1.72 0.00 0.00 179.24 178.44 1hqm n ASP 1059N -4.73 -0.07 0.25 6.45 -0.08 -1.25 -4.80 116.55 112.33 1hqm n ASP 1059Ca -0.05 -1.30 -0.15 0.00 -1.51 0.00 0.00 54.79 51.77 1hqm n ASP 1059Cb 0.25 -1.10 -0.08 0.00 2.34 0.00 0.00 41.12 42.53 1hqm n ASP 1059CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1hqm h ILE 1060N 7.18 0.00 -0.41 5.18 2.04 -1.88 0.41 117.51 130.02 1hqm h ILE 1060Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1hqm h ILE 1060Cb 1.05 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1hqm h ILE 1060CO 1.22 0.00 -0.24 -0.62 0.00 0.00 0.00 178.15 178.51 1hqm n GLU 1061N -4.86 -0.18 0.34 2.37 -0.58 -1.26 -0.30 120.64 116.17 1hqm n GLU 1061Ca -0.10 0.73 -0.19 0.00 -0.42 0.00 0.00 57.16 57.18 1hqm n GLU 1061Cb 0.37 -1.07 -0.10 0.00 -0.57 0.00 0.00 31.44 30.07 1hqm n GLU 1061CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1hqm h GLY 1062N 0.00 -1.27 0.00 0.62 0.00 -1.74 0.34 103.07 101.02 1hqm h GLY 1062Ca 0.07 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1hqm h GLY 1062CO -0.39 -0.40 0.00 -0.96 0.00 0.00 0.00 176.54 174.79 1hqm n ARG 1063N -5.58 0.00 -0.22 4.80 -4.01 0.14 0.84 116.66 112.63 1hqm n ARG 1063Ca -0.13 0.64 0.00 0.00 -1.04 0.00 0.00 57.85 57.33 1hqm n ARG 1063Cb 0.47 -0.99 0.08 0.00 -3.04 0.00 0.00 32.46 28.99 1hqm n ARG 1063CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1hqm h ASN 1064N 0.00 -0.52 -0.81 2.89 2.35 -1.29 0.33 115.58 118.53 1hqm h ASN 1064Ca 0.00 0.19 0.19 0.00 -0.55 0.00 0.00 56.30 56.13 1hqm h ASN 1064Cb 0.00 0.37 -0.13 0.00 0.05 0.00 0.00 38.32 38.62 1hqm h ASN 1064CO 0.00 -0.19 0.20 0.00 -1.65 0.00 0.00 177.43 175.79 1hqm h ALA 1065N 1.64 1.10 -0.19 -0.83 0.00 0.27 0.66 119.26 121.90 1hqm h ALA 1065Ca 0.32 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1hqm h ALA 1065Cb 0.51 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1hqm h ALA 1065CO -0.64 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 178.22 1hqm n ALA 1066N -2.70 -0.39 0.18 0.00 0.00 0.17 -0.09 120.51 117.69 1hqm n ALA 1066Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.79 1hqm n ALA 1066Cb 0.56 0.08 0.70 0.00 0.00 0.00 0.00 19.45 20.79 1hqm n ALA 1066CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1hqm h TYR 1067N 0.00 0.00 0.20 0.00 3.20 -1.06 0.75 116.97 120.06 1hqm h TYR 1067Ca 0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 1hqm h TYR 1067Cb 0.00 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.29 1hqm h TYR 1067CO 0.04 0.00 -1.41 0.37 -1.64 0.00 0.00 178.16 175.52 1hqm h GLN 1068N 0.00 0.41 -0.18 1.82 5.75 -0.63 -2.97 115.11 119.31 1hqm h GLN 1068Ca 0.13 -0.71 0.01 0.00 -0.15 0.00 0.00 58.65 57.93 1hqm h GLN 1068Cb 1.13 0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.93 1hqm h GLN 1068CO -0.00 1.34 0.09 0.00 -2.65 0.00 0.00 178.83 177.61 1hqm h ALA 1069N 0.10 0.21 0.48 3.38 0.00 0.40 -2.77 119.26 121.06 1hqm h ALA 1069Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1hqm h ALA 1069Cb 1.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1hqm h ALA 1069CO 0.19 -0.33 -0.23 0.82 0.00 0.00 0.00 179.25 179.71 1hqm h ILE 1070N 0.20 0.35 -1.54 0.00 5.03 -1.16 -0.41 117.51 119.98 1hqm h ILE 1070Ca 0.07 -0.49 0.45 0.00 -0.12 0.00 0.00 64.86 64.76 1hqm h ILE 1070Cb 0.01 0.50 -0.06 0.00 -3.03 0.00 0.00 36.82 34.24 1hqm h ILE 1070CO -0.04 0.06 1.13 0.40 -0.68 0.00 0.00 178.15 179.02 1hqm h ILE 1071N -1.00 0.20 0.00 -0.67 5.03 -1.55 0.68 117.51 120.20 1hqm h ILE 1071Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1hqm h ILE 1071Cb 0.59 0.20 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 1hqm h ILE 1071CO 0.11 0.00 -0.16 0.11 -0.68 0.00 0.00 178.15 177.53 1hqm h LYS 1072N 0.00 0.00 0.00 2.37 1.57 -1.40 -3.51 116.57 115.60 1hqm h LYS 1072Ca 0.73 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.51 1hqm h LYS 1072Cb 2.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.30 1hqm h LYS 1072CO -0.01 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 1hqm n GLY 1073N 1.75 -0.81 5.00 3.86 0.00 0.23 -5.00 105.19 110.23 1hqm n GLY 1073Ca -0.02 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1hqm n GLY 1073CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1hqm n GLU 1074N -0.03 0.00 -2.89 1.61 -0.00 -1.26 -4.81 120.64 113.26 1hqm n GLU 1074Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.16 56.96 1hqm n GLU 1074Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.46 1hqm n GLU 1074CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1hqm s ASP 1075N 0.00 5.55 0.33 -1.84 -1.08 -1.26 -5.13 116.67 113.24 1hqm s ASP 1075Ca 0.00 -0.10 0.09 0.00 -0.52 0.00 0.00 52.55 52.02 1hqm s ASP 1075Cb 0.00 -0.96 -0.05 0.00 -1.46 0.00 0.00 42.92 40.45 1hqm s ASP 1075CO 0.00 -0.89 0.01 0.68 0.52 0.00 0.00 175.17 175.49 1hqm s VAL 1076N -2.55 2.72 -0.55 1.11 -7.23 -1.26 -4.61 120.40 108.04 1hqm s VAL 1076Ca 0.54 -1.97 -0.34 0.00 -1.81 0.00 0.00 61.98 58.39 1hqm s VAL 1076Cb -0.10 -2.78 -0.14 0.00 0.56 0.00 0.00 36.38 33.91 1hqm s VAL 1076CO 0.36 -0.23 2.34 -2.65 -0.31 0.00 0.00 175.10 174.61 1hqm n PRO 1077N -0.94 0.65 -3.53 4.82 -0.02 -1.26 -4.91 135.00 129.81 1hqm n PRO 1077Ca -0.04 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.16 1hqm n PRO 1077Cb 0.62 -2.25 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 1hqm n PRO 1077CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1hqm s GLU 1078N 7.17 3.29 0.00 -0.52 2.02 -1.26 -5.02 118.70 124.38 1hqm s GLU 1078Ca 1.15 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1hqm s GLU 1078Cb -0.94 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 29.47 1hqm s GLU 1078CO 0.48 -0.54 0.00 -0.35 0.02 0.00 0.00 175.26 174.87 1hqm n PRO 1079N 5.10 2.37 0.00 0.39 -0.04 -1.26 -4.92 135.00 136.64 1hqm n PRO 1079Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1hqm n PRO 1079Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1hqm n PRO 1079CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hqm n SER 1080N -0.76 0.00 -4.05 3.54 3.41 -1.26 -5.06 113.62 109.44 1hqm n SER 1080Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1hqm n SER 1080Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1hqm n SER 1080CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1hqm s VAL 1081N 0.00 2.85 0.41 -3.33 1.01 -1.26 -5.09 120.40 115.00 1hqm s VAL 1081Ca 0.00 -2.51 -0.25 0.00 0.00 0.00 0.00 61.98 59.22 1hqm s VAL 1081Cb 0.00 -2.99 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 1hqm s VAL 1081CO 0.00 -0.70 1.11 -0.81 0.00 0.00 0.00 175.10 174.70 1hqm n PRO 1082N 4.05 1.57 -0.33 2.72 -0.04 -1.26 -4.75 135.00 136.96 1hqm n PRO 1082Ca 0.03 0.56 0.19 0.00 -0.04 0.00 0.00 63.50 64.24 1hqm n PRO 1082Cb 0.39 -2.16 0.43 0.00 -0.04 0.00 0.00 33.50 32.12 1hqm n PRO 1082CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1hqm h GLU 1083N 1.76 0.50 -0.39 0.54 4.81 -1.93 0.56 114.58 120.44 1hqm h GLU 1083Ca -0.45 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1hqm h GLU 1083Cb 1.32 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1hqm h GLU 1083CO 0.58 0.33 0.51 0.77 -0.73 0.00 0.00 179.01 180.47 1hqm h SER 1084N 0.52 0.00 0.00 1.04 0.02 -1.87 0.13 113.55 113.38 1hqm h SER 1084Ca 0.61 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.48 1hqm h SER 1084Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 1hqm h SER 1084CO -0.38 0.00 -0.90 0.33 -1.14 0.00 0.00 176.83 174.74 1hqm n PHE 1085N -3.50 0.67 -0.33 3.45 7.35 0.19 -3.13 117.46 122.16 1hqm n PHE 1085Ca 0.07 0.29 0.27 0.00 -0.76 0.00 0.00 57.45 57.32 1hqm n PHE 1085Cb 0.67 -0.79 0.58 0.00 0.35 0.00 0.00 39.48 40.29 1hqm n PHE 1085CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1hqm h ARG 1086N -1.00 0.27 0.10 -4.13 2.47 -1.27 0.74 114.38 111.55 1hqm h ARG 1086Ca -0.11 -0.02 -0.27 0.00 -1.26 0.00 0.00 59.98 58.32 1hqm h ARG 1086Cb 0.84 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1hqm h ARG 1086CO -0.07 0.18 -1.17 0.28 0.56 0.00 0.00 179.97 179.75 1hqm h VAL 1087N 0.27 1.43 -0.61 2.04 2.07 -0.93 -3.06 116.25 117.47 1hqm h VAL 1087Ca 0.61 -2.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1hqm h VAL 1087Cb 1.77 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 34.28 1hqm h VAL 1087CO -0.24 0.82 0.28 0.25 0.02 0.00 0.00 177.57 178.70 1hqm h LEU 1088N 0.14 0.79 0.32 2.57 5.85 -0.81 -2.69 115.31 121.48 1hqm h LEU 1088Ca -0.13 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1hqm h LEU 1088Cb 1.86 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1hqm h LEU 1088CO 0.20 0.68 -0.15 0.58 -0.34 0.00 0.00 178.44 179.41 1hqm h VAL 1089N 0.87 0.00 0.00 1.05 2.07 -1.49 -2.67 116.25 116.07 1hqm h VAL 1089Ca 0.21 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1hqm h VAL 1089Cb 0.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1hqm h VAL 1089CO -0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.85 1hqm n LYS 1090N -3.33 0.60 0.00 1.57 4.01 -1.16 -1.40 118.16 118.44 1hqm n LYS 1090Ca -0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.75 1hqm n LYS 1090Cb 0.17 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 1hqm n LYS 1090CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1hqm n GLU 1091N 1.62 5.09 -0.05 1.97 1.02 -1.02 -4.75 120.64 124.53 1hqm n GLU 1091Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1hqm n GLU 1091Cb 0.30 -0.45 -0.14 0.00 -0.02 0.00 0.00 31.44 31.12 1hqm n GLU 1091CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1hqm n LEU 1092N -0.03 1.30 -0.21 -4.62 4.77 -0.50 -4.03 117.00 113.68 1hqm n LEU 1092Ca 0.00 0.21 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1hqm n LEU 1092Cb 0.00 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.05 1hqm n LEU 1092CO 0.00 0.58 0.96 1.56 -1.33 0.00 0.00 177.39 179.17 1hqm h GLN 1093N 0.02 0.34 0.00 3.23 4.20 -1.54 0.56 115.11 121.92 1hqm h GLN 1093Ca -0.41 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1hqm h GLN 1093Cb 2.06 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.76 1hqm h GLN 1093CO 0.05 0.23 0.08 0.00 -0.67 0.00 0.00 178.83 178.52 1hqm n ALA 1094N -2.52 0.86 0.08 3.87 0.00 -1.26 0.36 120.51 121.90 1hqm n ALA 1094Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1hqm n ALA 1094Cb 0.31 -0.71 0.06 0.00 0.00 0.00 0.00 19.45 19.11 1hqm n ALA 1094CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1hqm n LEU 1095N -1.13 2.02 -0.06 0.00 7.94 0.18 -4.98 117.00 120.97 1hqm n LEU 1095Ca 0.00 -1.51 0.00 0.00 -1.11 0.00 0.00 56.01 53.39 1hqm n LEU 1095Cb 0.08 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1hqm n LEU 1095CO 0.00 0.47 0.00 0.00 -1.11 0.00 0.00 177.39 176.75 1hqm n ALA 1096N 0.20 0.00 -2.36 1.96 0.00 0.16 -5.10 120.51 115.37 1hqm n ALA 1096Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 1hqm n ALA 1096Cb 0.25 -0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.32 1hqm n ALA 1096CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hqm s LEU 1097N -0.11 2.24 -0.95 0.00 1.43 -1.22 -5.04 118.68 115.03 1hqm s LEU 1097Ca 0.00 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1hqm s LEU 1097Cb 0.00 -1.35 0.32 0.00 0.03 0.00 0.00 46.19 45.19 1hqm s LEU 1097CO 0.00 0.28 1.56 -0.67 0.23 0.00 0.00 176.35 177.74 1hqm n ASP 1098N 1.93 6.51 -4.46 2.29 -0.08 -1.26 -3.82 116.55 117.66 1hqm n ASP 1098Ca -0.17 -3.62 -0.46 0.00 -1.51 0.00 0.00 54.79 49.04 1hqm n ASP 1098Cb 0.52 -1.06 -0.09 0.00 2.34 0.00 0.00 41.12 42.83 1hqm n ASP 1098CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1hqm n VAL 1099N 0.24 0.06 -3.70 5.18 0.31 -1.26 -4.90 118.33 114.26 1hqm n VAL 1099Ca 0.39 -0.29 -0.34 0.00 -0.01 0.00 0.00 64.34 64.09 1hqm n VAL 1099Cb 0.30 -1.51 -0.05 0.00 -0.91 0.00 0.00 33.84 31.67 1hqm n VAL 1099CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1hqm s GLN 1100N 7.36 3.63 -0.85 5.55 -0.21 -1.26 -5.05 119.66 128.83 1hqm s GLN 1100Ca 1.15 -0.01 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1hqm s GLN 1100Cb -0.87 -3.03 0.21 0.00 1.00 0.00 0.00 33.01 30.32 1hqm s GLN 1100CO 0.45 0.61 0.75 2.41 -2.12 0.00 0.00 175.29 177.39 1hqm n THR 1101N 0.94 2.77 -2.61 -0.19 -1.04 -1.26 -5.06 114.28 107.84 1hqm n THR 1101Ca -0.09 -5.10 -0.40 0.00 -2.04 0.00 0.00 64.05 56.42 1hqm n THR 1101Cb 0.52 -2.32 -0.05 0.00 -1.82 0.00 0.00 70.33 66.67 1hqm n THR 1101CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1hqm s LEU 1102N -1.51 4.58 0.00 -4.42 1.43 -1.26 0.15 118.68 117.65 1hqm s LEU 1102Ca 0.28 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1hqm s LEU 1102Cb -0.05 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1hqm s LEU 1102CO -0.12 -0.02 0.00 0.47 0.23 0.00 0.00 176.35 176.91 1hqm n ASP 1103N 1.54 0.00 -0.26 2.29 8.00 -1.26 -4.79 116.55 122.07 1hqm n ASP 1103Ca -0.01 -0.56 -0.02 0.00 0.71 0.00 0.00 54.79 54.91 1hqm n ASP 1103Cb 0.46 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1hqm n ASP 1103CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1hqm n GLU 1104N -0.56 -0.18 -0.90 -1.24 1.02 -1.26 -0.87 120.64 116.65 1hqm n GLU 1104Ca 0.00 1.03 -0.10 0.00 -0.02 0.00 0.00 57.16 58.08 1hqm n GLU 1104Cb 0.00 -1.53 0.22 0.00 -0.02 0.00 0.00 31.44 30.11 1hqm n GLU 1104CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1hqm n LYS 1105N -4.97 2.90 0.00 3.49 5.02 -1.26 -4.94 118.16 118.40 1hqm n LYS 1105Ca 0.06 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 1hqm n LYS 1105Cb 0.26 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1hqm n LYS 1105CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1hqm n ASP 1106N -0.30 0.00 -0.59 4.39 8.00 -0.05 -4.22 116.55 123.78 1hqm n ASP 1106Ca 0.39 0.00 0.12 0.00 0.71 0.00 0.00 54.79 56.00 1hqm n ASP 1106Cb 1.29 0.00 0.40 0.00 -0.02 0.00 0.00 41.12 42.79 1hqm n ASP 1106CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hqm n ASN 1107N 0.67 1.78 -1.13 -2.24 2.85 -1.26 -3.92 115.26 112.02 1hqm n ASN 1107Ca 0.00 -1.68 0.03 0.00 -0.11 0.00 0.00 54.58 52.82 1hqm n ASN 1107Cb 0.00 -0.08 0.19 0.00 1.24 0.00 0.00 39.78 41.12 1hqm n ASN 1107CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1hqm n PRO 1108N 0.39 2.78 0.00 1.20 -0.02 -1.26 -4.97 135.00 133.13 1hqm n PRO 1108Ca 0.17 -1.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.21 1hqm n PRO 1108Cb 0.36 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1hqm n PRO 1108CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1hqm n VAL 1109N 0.29 0.00 -0.87 -1.45 3.14 -1.25 -4.31 118.33 113.88 1hqm n VAL 1109Ca 0.13 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.19 1hqm n VAL 1109Cb 0.68 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.49 1hqm n VAL 1109CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1hqm n ASP 1110N 0.00 -4.76 -0.04 6.55 5.68 0.39 -4.83 116.55 119.54 1hqm n ASP 1110Ca 0.00 0.13 0.04 0.00 -0.50 0.00 0.00 54.79 54.46 1hqm n ASP 1110Cb 0.00 -0.62 -0.16 0.00 -1.14 0.00 0.00 41.12 39.21 1hqm n ASP 1110CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1hqm n ILE 1111N -2.33 0.40 0.00 2.12 5.41 -1.26 -4.98 119.36 118.72 1hqm n ILE 1111Ca -0.02 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.16 1hqm n ILE 1111Cb 0.52 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 1hqm n ILE 1111CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1hqm n PHE 1112N -2.36 0.00 -0.65 1.39 7.35 -1.26 -1.93 117.46 119.99 1hqm n PHE 1112Ca -0.12 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.54 1hqm n PHE 1112Cb 0.71 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.53 1hqm n PHE 1112CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1hqm n GLU 1113N 0.00 -1.79 0.00 -4.13 1.02 -1.26 -4.66 120.64 109.82 1hqm n GLU 1113Ca 0.00 0.30 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1hqm n GLU 1113Cb 0.00 -3.88 0.00 0.00 -0.02 0.00 0.00 31.44 27.54 1hqm n GLU 1113CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1hqm n GLY 1114N 0.28 0.89 3.69 0.62 0.00 -0.81 -5.23 105.19 104.61 1hqm n GLY 1114Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hqm n GLY 1114CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36