#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjm s LYS 2 N 0.00 0.96 -0.17 3.17 -2.85 -1.26 -4.22 119.74 115.36 2qjm s LYS 2 Ca 0.00 -1.45 -0.27 0.00 -1.00 0.00 0.00 55.97 53.25 2qjm s LYS 2 Cb 0.00 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 2qjm s LYS 2 CO 0.00 -0.28 0.93 0.42 0.10 0.00 0.00 175.35 176.52 2qjm s ILE 3 N -4.06 4.80 -0.23 3.79 1.01 0.10 -2.25 121.20 124.36 2qjm s ILE 3 Ca 0.25 1.83 0.22 0.00 0.00 0.00 0.00 60.65 62.96 2qjm s ILE 3 Cb 0.07 -4.22 -0.18 0.00 0.01 0.00 0.00 42.46 38.14 2qjm s ILE 3 CO 0.03 -0.04 0.78 0.35 0.00 0.00 0.00 174.94 176.06 2qjm n THR 4 N 4.88 0.25 -3.55 2.92 -2.24 0.11 -1.50 114.28 115.14 2qjm n THR 4 Ca 0.07 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2qjm n THR 4 Cb 0.48 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 2qjm n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qjm s ALA 5 N -3.40 -1.89 -0.35 6.98 0.00 -1.06 -4.96 121.76 117.09 2qjm s ALA 5 Ca -0.03 1.41 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 2qjm s ALA 5 Cb 0.13 -0.33 0.14 0.00 0.00 0.00 0.00 23.12 23.05 2qjm s ALA 5 CO 0.85 -0.42 0.20 0.00 0.00 0.00 0.00 175.76 176.40 2qjm s ALA 6 N -1.66 0.89 -0.01 0.00 0.00 -1.26 0.08 121.76 119.81 2qjm s ALA 6 Ca -0.01 -1.80 -0.03 0.00 0.00 0.00 0.00 51.96 50.12 2qjm s ALA 6 Cb -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 2qjm s ALA 6 CO -0.00 -2.08 0.18 1.03 0.00 0.00 0.00 175.76 174.89 2qjm s ARG 7 N 1.15 3.44 -0.21 0.00 0.52 -0.20 -4.86 118.95 118.79 2qjm s ARG 7 Ca 0.17 -0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.00 2qjm s ARG 7 Cb -0.23 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2qjm s ARG 7 CO -0.02 0.68 0.07 0.08 0.02 0.00 0.00 175.30 176.13 2qjm s VAL 8 N -1.32 4.65 -0.15 3.52 1.01 -1.26 -0.67 120.40 126.18 2qjm s VAL 8 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2qjm s VAL 8 Cb -0.13 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 2qjm s VAL 8 CO 0.18 0.41 -0.16 -0.63 0.00 0.00 0.00 175.10 174.91 2qjm s ILE 9 N 0.85 2.67 0.01 2.22 1.01 0.50 -4.97 121.20 123.50 2qjm s ILE 9 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2qjm s ILE 9 Cb -0.14 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2qjm s ILE 9 CO 0.02 0.52 -0.01 -0.63 0.00 0.00 0.00 174.94 174.84 2qjm s ILE 10 N 0.73 4.05 -0.05 2.92 1.01 -1.26 -0.61 121.20 127.99 2qjm s ILE 10 Ca -0.07 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 2qjm s ILE 10 Cb -0.16 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.58 2qjm s ILE 10 CO 0.01 0.36 0.71 0.28 0.00 0.00 0.00 174.94 176.30 2qjm s THR 11 N -1.09 0.00 -0.44 2.92 -1.32 -0.69 -4.80 115.64 110.22 2qjm s THR 11 Ca 0.20 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.77 2qjm s THR 11 Cb -0.11 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.19 2qjm s THR 11 CO 0.10 0.00 0.72 0.00 -2.21 0.00 0.00 174.62 173.23 2qjm n PRO 13 N 0.53 3.85 0.00 0.00 -0.04 -1.26 -4.15 135.00 133.93 2qjm n PRO 13 Ca 0.26 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2qjm n PRO 13 Cb 0.55 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2qjm n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qjm n GLY 14 N 2.27 3.49 3.55 0.55 0.00 -1.26 -2.96 105.19 110.83 2qjm n GLY 14 Ca 0.64 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 2qjm n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qjm s ARG 15 N 0.00 0.85 0.19 1.61 1.70 -1.26 -5.10 118.95 116.95 2qjm s ARG 15 Ca 0.00 -0.35 -0.31 0.00 -0.47 0.00 0.00 55.73 54.60 2qjm s ARG 15 Cb 0.00 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 2qjm s ARG 15 CO 0.00 -0.38 1.47 -0.80 -1.08 0.00 0.00 175.30 174.52 2qjm s ASN 16 N -2.56 6.67 -0.02 -2.89 0.01 -1.26 -4.18 114.94 110.71 2qjm s ASN 16 Ca 0.07 2.57 0.01 0.00 -0.71 0.00 0.00 52.86 54.80 2qjm s ASN 16 Cb -0.01 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2qjm s ASN 16 CO -0.07 -0.73 -0.01 -0.36 -1.51 0.00 0.00 177.10 174.42 2qjm s PHE 17 N 0.63 0.36 -0.12 2.20 0.08 0.46 -4.96 117.98 116.64 2qjm s PHE 17 Ca 0.64 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.66 2qjm s PHE 17 Cb -0.41 -0.38 -0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2qjm s PHE 17 CO 0.36 -0.10 -0.15 0.08 -0.10 0.00 0.00 175.22 175.31 2qjm s VAL 18 N 0.72 2.93 0.01 -0.44 1.01 -1.26 -1.71 120.40 121.66 2qjm s VAL 18 Ca -0.07 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2qjm s VAL 18 Cb -0.11 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2qjm s VAL 18 CO -0.01 0.53 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 2qjm s THR 19 N 0.28 1.17 -0.14 3.92 2.01 0.22 -1.49 115.64 121.60 2qjm s THR 19 Ca -0.11 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 2qjm s THR 19 Cb -0.16 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2qjm s THR 19 CO 0.06 0.20 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.94 2qjm s LEU 20 N -0.69 3.35 -0.21 4.42 2.96 0.51 -0.37 118.68 128.66 2qjm s LEU 20 Ca 0.04 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2qjm s LEU 20 Cb -0.07 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.86 2qjm s LEU 20 CO 0.00 0.21 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.35 2qjm s LYS 21 N 0.13 2.42 -0.27 1.98 2.20 0.15 -0.48 119.74 125.87 2qjm s LYS 21 Ca -0.00 -0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 54.53 2qjm s LYS 21 Cb -0.13 -2.58 -0.05 0.00 -1.51 0.00 0.00 37.83 33.56 2qjm s LYS 21 CO 0.02 -0.39 0.21 0.42 -0.36 0.00 0.00 175.35 175.26 2qjm s ILE 22 N 1.28 5.30 0.08 5.43 1.01 0.47 -1.04 121.20 133.74 2qjm s ILE 22 Ca -0.01 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2qjm s ILE 22 Cb -0.16 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2qjm s ILE 22 CO -0.09 0.25 0.07 -1.61 0.00 0.00 0.00 174.94 173.56 2qjm s GLU 23 N 1.67 2.84 0.36 2.79 2.02 0.11 -1.51 118.70 126.99 2qjm s GLU 23 Ca 0.08 -0.70 0.05 0.00 0.02 0.00 0.00 54.97 54.42 2qjm s GLU 23 Cb -0.16 -2.70 -0.07 0.00 0.10 0.00 0.00 34.13 31.30 2qjm s GLU 23 CO 0.10 0.57 0.04 0.95 0.02 0.00 0.00 175.26 176.93 2qjm s THR 24 N -1.36 1.53 -1.14 3.63 -4.23 -1.16 0.05 115.64 112.95 2qjm s THR 24 Ca 0.28 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.85 2qjm s THR 24 Cb -0.12 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.11 2qjm s THR 24 CO 0.21 0.00 1.02 -0.90 -0.54 0.00 0.00 174.62 174.41 2qjm n ASP 25 N -0.81 2.27 -0.40 3.99 5.68 -0.96 -3.12 116.55 123.21 2qjm n ASP 25 Ca -0.03 -2.22 0.04 0.00 -0.50 0.00 0.00 54.79 52.08 2qjm n ASP 25 Cb 0.67 -0.44 0.06 0.00 -1.14 0.00 0.00 41.12 40.27 2qjm n ASP 25 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2qjm n GLN 26 N 0.24 1.13 0.00 0.11 -0.06 -1.26 -4.97 117.38 112.57 2qjm n GLN 26 Ca 0.10 -1.33 0.00 0.00 -2.00 0.00 0.00 57.00 53.77 2qjm n GLN 26 Cb 0.47 -1.18 0.00 0.00 -4.06 0.00 0.00 30.24 25.47 2qjm n GLN 26 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qjm n GLY 27 N 0.42 2.10 3.75 1.69 0.00 -1.18 -4.99 105.19 106.97 2qjm n GLY 27 Ca 0.06 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2qjm n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qjm s VAL 28 N -0.14 2.24 0.08 1.61 0.11 -1.26 -4.76 120.40 118.28 2qjm s VAL 28 Ca 0.00 0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.17 2qjm s VAL 28 Cb 0.00 -3.08 -0.02 0.00 -1.53 0.00 0.00 36.38 31.75 2qjm s VAL 28 CO 0.00 -0.01 0.08 -0.72 -3.33 0.00 0.00 175.10 171.11 2qjm s TYR 29 N -1.39 0.42 0.07 1.54 -0.85 -1.26 -2.99 117.35 112.89 2qjm s TYR 29 Ca 0.74 -0.89 0.02 0.00 -0.52 0.00 0.00 57.07 56.42 2qjm s TYR 29 Cb -0.37 -0.26 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 2qjm s TYR 29 CO 0.42 -0.48 -0.07 0.20 -1.52 0.00 0.00 175.55 174.11 2qjm s GLY 30 N -2.92 0.66 0.05 5.49 0.00 -0.57 -4.59 107.32 105.45 2qjm s GLY 30 Ca 0.09 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 43.76 2qjm s GLY 30 CO -0.08 -1.19 -0.15 -0.26 0.00 0.00 0.00 173.10 171.42 2qjm s ILE 31 N -2.68 1.20 0.04 0.90 -4.36 -1.26 -0.39 121.20 114.65 2qjm s ILE 31 Ca 0.03 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2qjm s ILE 31 Cb -0.01 -1.10 -0.02 0.00 1.25 0.00 0.00 42.46 42.58 2qjm s ILE 31 CO -0.03 -0.04 -0.07 -0.83 0.24 0.00 0.00 174.94 174.22 2qjm s GLY 32 N -1.34 0.45 0.32 6.27 0.00 0.37 -3.45 107.32 109.94 2qjm s GLY 32 Ca 0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 44.72 43.80 2qjm s GLY 32 CO 0.02 -0.78 0.85 -0.35 0.00 0.00 0.00 173.10 172.83 2qjm s ASP 33 N -1.54 7.05 0.00 1.64 2.15 -1.26 -0.36 116.67 124.35 2qjm s ASP 33 Ca -0.11 1.58 0.04 0.00 0.43 0.00 0.00 52.55 54.49 2qjm s ASP 33 Cb -0.10 -2.49 0.07 0.00 -0.30 0.00 0.00 42.92 40.11 2qjm s ASP 33 CO 0.00 -0.14 0.95 0.00 -0.17 0.00 0.00 175.17 175.81 2qjm n ALA 34 N 0.12 2.13 -2.33 3.66 0.00 -0.55 -3.10 120.51 120.45 2qjm n ALA 34 Ca 0.02 -1.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.98 2qjm n ALA 34 Cb 0.52 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 2qjm n ALA 34 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qjm s THR 35 N 0.00 3.79 -0.39 0.00 2.01 -1.23 -4.75 115.64 115.07 2qjm s THR 35 Ca 0.06 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.34 2qjm s THR 35 Cb 0.07 -3.81 0.12 0.00 0.01 0.00 0.00 72.50 68.88 2qjm s THR 35 CO -0.03 0.08 0.16 -0.22 -0.69 0.00 0.00 174.62 173.92 2qjm s LEU 36 N 1.28 3.17 -0.19 4.42 2.96 -1.26 -4.96 118.68 124.09 2qjm s LEU 36 Ca 0.61 -2.26 -0.40 0.00 -0.22 0.00 0.00 54.13 51.86 2qjm s LEU 36 Cb -0.32 -1.18 -0.17 0.00 0.50 0.00 0.00 46.19 45.03 2qjm s LEU 36 CO 0.29 -0.33 1.55 -3.20 -1.32 0.00 0.00 176.35 173.34 2qjm n ASN 37 N 4.06 1.78 0.00 3.68 5.15 -1.26 -1.06 115.26 127.61 2qjm n ASN 37 Ca 0.04 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.13 2qjm n ASN 37 Cb 0.38 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 2qjm n ASN 37 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qjm n GLY 38 N 3.48 1.66 1.52 8.20 0.00 -1.26 -4.75 105.19 114.04 2qjm n GLY 38 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 2qjm n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qjm n ARG 39 N -2.00 0.27 -0.22 1.61 5.12 -0.22 -4.88 116.66 116.34 2qjm n ARG 39 Ca 0.00 -1.68 0.02 0.00 -1.93 0.00 0.00 57.85 54.26 2qjm n ARG 39 Cb 0.00 0.08 0.13 0.00 -1.16 0.00 0.00 32.46 31.51 2qjm n ARG 39 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2qjm h GLU 40 N 0.76 0.22 0.00 5.56 3.07 -1.52 -2.88 114.58 119.79 2qjm h GLU 40 Ca -0.37 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 2qjm h GLU 40 Cb 1.60 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.46 2qjm h GLU 40 CO -0.07 0.14 -0.17 -0.07 -1.40 0.00 0.00 179.01 177.45 2qjm h LEU 41 N 0.22 0.00 -1.10 1.33 3.38 -1.94 -2.68 115.31 114.52 2qjm h LEU 41 Ca 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2qjm h LEU 41 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2qjm h LEU 41 CO -0.47 0.17 0.27 0.77 0.09 0.00 0.00 178.44 179.26 2qjm h SER 42 N 0.00 0.82 0.15 -0.43 4.64 -1.92 -1.28 113.55 115.54 2qjm h SER 42 Ca -0.00 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.08 2qjm h SER 42 Cb 0.33 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2qjm h SER 42 CO 0.02 0.72 -0.49 0.58 -0.87 0.00 0.00 176.83 176.79 2qjm h VAL 43 N 0.89 1.33 -0.42 0.95 2.07 -1.61 -1.47 116.25 117.99 2qjm h VAL 43 Ca 0.21 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2qjm h VAL 43 Cb 0.15 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2qjm h VAL 43 CO -0.02 0.52 0.24 0.58 0.02 0.00 0.00 177.57 178.91 2qjm h VAL 44 N 0.31 1.14 -0.34 2.57 2.07 -1.15 -0.89 116.25 119.96 2qjm h VAL 44 Ca 0.01 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 2qjm h VAL 44 Cb 0.98 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2qjm h VAL 44 CO 0.08 0.15 -0.26 0.00 0.02 0.00 0.00 177.57 177.56 2qjm h ALA 45 N 1.10 0.49 -0.32 1.67 0.00 -1.19 0.27 119.26 121.28 2qjm h ALA 45 Ca 0.15 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.72 2qjm h ALA 45 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2qjm h ALA 45 CO -0.03 0.50 0.00 -0.92 0.00 0.00 0.00 179.25 178.80 2qjm h TYR 46 N 0.56 -0.02 0.29 0.00 3.20 -1.04 0.30 116.97 120.27 2qjm h TYR 46 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2qjm h TYR 46 Cb 0.83 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.16 2qjm h TYR 46 CO 0.06 -0.06 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.32 2qjm h LEU 47 N 0.09 -0.33 -0.64 2.82 3.38 -1.09 -1.94 115.31 117.62 2qjm h LEU 47 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qjm h LEU 47 Cb 0.21 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2qjm h LEU 47 CO -0.26 0.16 0.36 -0.61 0.09 0.00 0.00 178.44 178.18 2qjm h GLN 48 N -1.01 0.88 0.00 1.13 4.15 -0.45 0.42 115.11 120.23 2qjm h GLN 48 Ca -0.04 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.18 2qjm h GLN 48 Cb 0.45 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2qjm h GLN 48 CO 0.06 0.66 -1.00 0.93 -1.93 0.00 0.00 178.83 177.55 2qjm h GLU 49 N 0.87 0.00 0.00 1.69 4.39 -0.55 -3.42 114.58 117.56 2qjm h GLU 49 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2qjm h GLU 49 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2qjm h GLU 49 CO -0.04 0.26 -0.19 0.72 -1.16 0.00 0.00 179.01 178.61 2qjm n HIS 50 N -2.95 -0.54 0.11 4.33 8.25 -0.97 -4.85 115.22 118.61 2qjm n HIS 50 Ca -0.04 0.10 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 2qjm n HIS 50 Cb 0.73 0.16 -0.08 0.00 1.12 0.00 0.00 29.99 31.92 2qjm n HIS 50 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2qjm h VAL 51 N 0.00 0.88 -0.70 1.59 2.07 -1.17 -3.32 116.25 115.61 2qjm h VAL 51 Ca 0.00 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.10 2qjm h VAL 51 Cb 0.19 1.20 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 2qjm h VAL 51 CO 0.00 0.12 -0.38 0.00 0.02 0.00 0.00 177.57 177.33 2qjm h ALA 52 N 0.18 -0.08 -0.63 1.67 0.00 -0.43 -0.40 119.26 119.57 2qjm h ALA 52 Ca -0.03 0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2qjm h ALA 52 Cb 0.41 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2qjm h ALA 52 CO 0.05 -0.71 0.45 -1.35 0.00 0.00 0.00 179.25 177.68 2qjm h PRO 53 N -0.13 0.11 0.00 0.00 0.11 -1.80 -1.20 132.00 129.09 2qjm h PRO 53 Ca 0.25 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 2qjm h PRO 53 Cb 0.56 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2qjm h PRO 53 CO -0.77 0.07 -0.56 0.00 -0.21 0.00 0.00 178.00 176.54 2qjm h LEU 55 N 0.00 0.00 -9.54 0.00 3.38 -0.88 -3.44 115.31 104.83 2qjm h LEU 55 Ca -0.01 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2qjm h LEU 55 Cb 1.36 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.15 2qjm h LEU 55 CO 0.07 0.38 1.10 -0.38 0.09 0.00 0.00 178.44 179.70 2qjm n ILE 56 N -3.43 0.30 0.00 1.22 2.08 -1.19 -1.82 119.36 116.52 2qjm n ILE 56 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2qjm n ILE 56 Cb 0.55 -2.10 0.00 0.00 -0.75 0.00 0.00 39.64 37.34 2qjm n ILE 56 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qjm n GLY 57 N 4.19 1.70 3.84 7.39 0.00 -0.56 -4.96 105.19 116.79 2qjm n GLY 57 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 2qjm n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qjm s MET 58 N -0.81 3.95 -0.55 1.61 -1.94 -0.76 -4.60 119.30 116.21 2qjm s MET 58 Ca 0.00 0.95 -0.28 0.00 -1.71 0.00 0.00 55.69 54.64 2qjm s MET 58 Cb 0.00 -2.14 0.03 0.00 2.01 0.00 0.00 34.83 34.73 2qjm s MET 58 CO 0.00 -0.26 1.20 0.34 -0.01 0.00 0.00 175.02 176.28 2qjm s ASP 59 N -3.06 6.48 0.23 3.03 3.68 -1.26 -0.72 116.67 125.05 2qjm s ASP 59 Ca 0.59 0.23 0.15 0.00 2.13 0.00 0.00 52.55 55.65 2qjm s ASP 59 Cb -0.10 -2.55 0.82 0.00 -1.45 0.00 0.00 42.92 39.63 2qjm s ASP 59 CO 0.31 -1.43 1.45 -0.81 0.13 0.00 0.00 175.17 174.82 2qjm n PRO 60 N 8.29 0.10 0.19 4.34 -0.04 -1.26 -1.54 135.00 145.07 2qjm n PRO 60 Ca 0.10 0.59 0.13 0.00 -0.04 0.00 0.00 63.50 64.29 2qjm n PRO 60 Cb 0.49 -1.83 0.39 0.00 -0.04 0.00 0.00 33.50 32.51 2qjm n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjm h ARG 61 N 0.00 0.00 -3.12 0.54 3.08 -1.91 -3.36 114.38 109.61 2qjm h ARG 61 Ca 0.00 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 59.30 2qjm h ARG 61 Cb 0.02 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.93 2qjm h ARG 61 CO 0.00 0.00 2.20 0.54 -1.07 0.00 0.00 179.97 181.64 2qjm n ARG 62 N -2.74 4.03 0.13 0.04 1.74 -0.59 -4.78 116.66 114.50 2qjm n ARG 62 Ca 0.03 -3.50 -0.13 0.00 -0.77 0.00 0.00 57.85 53.49 2qjm n ARG 62 Cb 0.41 -2.80 -0.06 0.00 -1.02 0.00 0.00 32.46 29.00 2qjm n ARG 62 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2qjm h ILE 63 N 3.26 0.48 -0.23 0.55 2.04 -1.84 -0.77 117.51 121.00 2qjm h ILE 63 Ca 0.52 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.42 2qjm h ILE 63 Cb 0.49 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 2qjm h ILE 63 CO 1.57 0.00 0.03 -0.08 0.00 0.00 0.00 178.15 179.67 2qjm h GLU 64 N -0.46 0.11 -0.51 2.37 4.57 -1.96 -0.19 114.58 118.50 2qjm h GLU 64 Ca 0.01 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2qjm h GLU 64 Cb 0.46 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2qjm h GLU 64 CO -0.10 0.08 0.32 0.22 -1.18 0.00 0.00 179.01 178.35 2qjm h ASP 65 N 0.12 0.54 -0.38 1.04 3.58 -1.92 -1.26 116.42 118.13 2qjm h ASP 65 Ca 0.11 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.48 2qjm h ASP 65 Cb 0.11 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2qjm h ASP 65 CO -0.15 0.39 -0.01 0.40 -2.88 0.00 0.00 179.24 176.98 2qjm h ILE 66 N 0.65 1.24 -0.15 2.25 2.04 -0.87 0.48 117.51 123.14 2qjm h ILE 66 Ca 0.20 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 2qjm h ILE 66 Cb -0.03 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2qjm h ILE 66 CO -0.07 0.35 0.09 -0.25 0.00 0.00 0.00 178.15 178.28 2qjm h TRP 67 N 0.72 0.21 -0.69 1.37 7.01 -0.45 -0.30 115.95 123.82 2qjm h TRP 67 Ca 0.14 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.07 2qjm h TRP 67 Cb 0.46 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.43 2qjm h TRP 67 CO 0.02 0.19 0.16 1.96 -2.79 0.00 0.00 178.44 177.99 2qjm h GLN 68 N 0.16 1.10 -0.23 2.65 1.08 -1.02 1.00 115.11 119.84 2qjm h GLN 68 Ca 0.05 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2qjm h GLN 68 Cb 0.05 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2qjm h GLN 68 CO -0.01 0.98 0.10 -0.92 -0.95 0.00 0.00 178.83 178.03 2qjm h TYR 69 N 1.04 0.18 -0.03 2.96 3.20 -0.56 0.31 116.97 124.07 2qjm h TYR 69 Ca 0.21 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.91 2qjm h TYR 69 Cb 0.38 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2qjm h TYR 69 CO 0.03 0.09 -0.78 0.28 -1.64 0.00 0.00 178.16 176.14 2qjm h VAL 70 N 0.21 1.43 0.03 1.81 2.07 -0.88 0.12 116.25 121.04 2qjm h VAL 70 Ca 0.10 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 2qjm h VAL 70 Cb 0.05 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2qjm h VAL 70 CO -0.09 0.69 -0.01 0.22 0.02 0.00 0.00 177.57 178.40 2qjm h TYR 71 N 0.18 -0.03 0.04 1.57 3.20 -0.59 -3.26 116.97 118.07 2qjm h TYR 71 Ca -0.04 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 2qjm h TYR 71 Cb 1.37 0.01 0.01 0.00 1.54 0.00 0.00 36.73 39.67 2qjm h TYR 71 CO 0.03 0.66 -0.54 0.00 -1.64 0.00 0.00 178.16 176.67 2qjm h ARG 72 N -0.79 0.30 -0.55 1.82 3.08 -0.49 -3.34 114.38 114.40 2qjm h ARG 72 Ca -0.00 -0.37 0.16 0.00 0.07 0.00 0.00 59.98 59.83 2qjm h ARG 72 Cb 0.70 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 2qjm h ARG 72 CO 0.01 1.09 0.41 0.78 -1.07 0.00 0.00 179.97 181.19 2qjm h GLY 73 N -0.33 0.00 2.00 0.04 0.00 -0.82 -0.93 103.07 103.03 2qjm h GLY 73 Ca -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2qjm h GLY 73 CO 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.64 2qjm h ALA 74 N 1.69 1.06 0.00 3.60 0.00 -1.68 -3.46 119.26 120.48 2qjm h ALA 74 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qjm h ALA 74 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qjm h ALA 74 CO -0.00 0.01 0.00 0.98 0.00 0.00 0.00 179.25 180.24 2qjm n TYR 75 N -3.18 0.00 -2.81 0.00 9.36 -0.36 -4.74 117.16 115.44 2qjm n TYR 75 Ca -0.02 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.77 2qjm n TYR 75 Cb 0.12 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.79 2qjm n TYR 75 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2qjm s TRP 76 N 0.00 2.69 0.50 2.98 0.52 -1.26 -5.00 118.94 119.36 2qjm s TRP 76 Ca 0.00 -0.65 -0.11 0.00 0.02 0.00 0.00 56.10 55.36 2qjm s TRP 76 Cb 0.00 -4.36 -0.06 0.00 -1.15 0.00 0.00 33.47 27.91 2qjm s TRP 76 CO 0.00 -1.69 0.89 1.03 0.02 0.00 0.00 176.95 177.20 2qjm s ARG 77 N 4.10 3.74 0.65 4.98 0.52 -1.26 -4.98 118.95 126.70 2qjm s ARG 77 Ca 0.27 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.10 2qjm s ARG 77 Cb -0.13 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.10 2qjm s ARG 77 CO 0.06 -0.26 0.00 0.54 0.02 0.00 0.00 175.30 175.66 2qjm n ARG 78 N -1.90 -1.66 0.00 3.54 1.74 -1.26 -5.09 116.66 112.03 2qjm n ARG 78 Ca 0.04 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.21 2qjm n ARG 78 Cb 0.54 -2.02 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2qjm n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qjm n GLY 79 N -2.58 2.92 0.24 -0.13 0.00 -1.26 -4.60 105.19 99.78 2qjm n GLY 79 Ca 0.01 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 2qjm n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qjm h PRO 80 N 0.00 0.79 0.09 1.61 0.13 -1.93 -1.12 132.00 131.57 2qjm h PRO 80 Ca 0.00 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2qjm h PRO 80 Cb 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.98 2qjm h PRO 80 CO 0.00 0.63 -0.04 0.28 -0.23 0.00 0.00 178.00 178.63 2qjm h VAL 81 N 0.76 1.10 -0.35 1.56 2.07 -1.98 -2.68 116.25 116.72 2qjm h VAL 81 Ca 0.20 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2qjm h VAL 81 Cb 0.07 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2qjm h VAL 81 CO -0.03 0.17 0.16 0.74 0.02 0.00 0.00 177.57 178.64 2qjm h THR 82 N -0.44 0.97 0.00 2.57 2.02 -1.80 -2.77 112.91 113.46 2qjm h THR 82 Ca -0.01 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 2qjm h THR 82 Cb 0.37 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2qjm h THR 82 CO 0.02 0.06 -0.41 0.24 0.37 0.00 0.00 175.52 175.80 2qjm h MET 83 N 0.34 0.00 -0.55 6.66 2.86 -1.27 -2.20 114.93 120.78 2qjm h MET 83 Ca 0.15 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2qjm h MET 83 Cb 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2qjm h MET 83 CO -0.11 0.41 -0.06 -0.09 1.06 0.00 0.00 176.91 178.12 2qjm h ARG 84 N 0.00 1.01 -0.57 1.72 9.65 -1.26 0.12 114.38 125.05 2qjm h ARG 84 Ca -0.00 -0.35 -0.07 0.00 -1.10 0.00 0.00 59.98 58.45 2qjm h ARG 84 Cb 0.84 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 2qjm h ARG 84 CO 0.05 1.04 0.08 0.00 2.80 0.00 0.00 179.97 183.94 2qjm h ALA 85 N 0.94 0.76 -0.43 2.80 0.00 -1.23 -0.90 119.26 121.21 2qjm h ALA 85 Ca 0.15 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2qjm h ALA 85 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qjm h ALA 85 CO 0.04 0.52 -0.21 0.82 0.00 0.00 0.00 179.25 180.41 2qjm h ILE 86 N 0.84 1.28 -0.28 0.00 2.04 -1.22 -2.47 117.51 117.70 2qjm h ILE 86 Ca 0.17 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2qjm h ILE 86 Cb 0.44 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 2qjm h ILE 86 CO 0.01 0.46 0.18 0.00 0.00 0.00 0.00 178.15 178.81 2qjm h ALA 87 N 0.83 0.35 -0.76 1.87 0.00 -0.53 0.69 119.26 121.72 2qjm h ALA 87 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2qjm h ALA 87 Cb 0.78 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 2qjm h ALA 87 CO 0.06 -0.18 0.45 0.00 0.00 0.00 0.00 179.25 179.58 2qjm h ALA 88 N 1.10 1.02 -0.28 0.00 0.00 -1.07 0.18 119.26 120.22 2qjm h ALA 88 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2qjm h ALA 88 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qjm h ALA 88 CO -0.03 0.17 -0.05 0.28 0.00 0.00 0.00 179.25 179.62 2qjm h VAL 89 N 0.83 1.28 -0.69 0.00 2.07 -1.03 -2.68 116.25 116.03 2qjm h VAL 89 Ca 0.33 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2qjm h VAL 89 Cb 0.16 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2qjm h VAL 89 CO -0.17 0.34 0.33 -0.78 0.02 0.00 0.00 177.57 177.31 2qjm h ASP 90 N 0.30 0.91 -0.39 0.57 3.58 -0.21 -2.11 116.42 119.06 2qjm h ASP 90 Ca 0.07 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2qjm h ASP 90 Cb 0.52 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2qjm h ASP 90 CO 0.03 0.79 0.15 0.24 -2.88 0.00 0.00 179.24 177.56 2qjm h MET 91 N 0.97 0.59 -0.71 0.28 2.86 -0.65 -1.80 114.93 116.47 2qjm h MET 91 Ca 0.24 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2qjm h MET 91 Cb 0.12 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2qjm h MET 91 CO -0.03 0.57 0.32 0.00 1.06 0.00 0.00 176.91 178.84 2qjm h ALA 92 N 0.99 1.23 -0.34 6.32 0.00 -1.30 -0.53 119.26 125.63 2qjm h ALA 92 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 2qjm h ALA 92 Cb 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qjm h ALA 92 CO -0.01 0.58 -0.38 -0.07 0.00 0.00 0.00 179.25 179.38 2qjm h LEU 93 N 1.01 0.93 -1.13 0.00 3.38 -1.22 -0.58 115.31 117.70 2qjm h LEU 93 Ca 0.24 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2qjm h LEU 93 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2qjm h LEU 93 CO -0.03 1.22 -0.40 -0.50 0.09 0.00 0.00 178.44 178.81 2qjm h TRP 94 N 0.66 0.06 -0.40 1.13 4.06 -1.12 0.94 115.95 121.28 2qjm h TRP 94 Ca 0.05 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.92 2qjm h TRP 94 Cb 0.97 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.10 2qjm h TRP 94 CO 0.07 0.45 -0.01 0.22 -3.56 0.00 0.00 178.44 175.61 2qjm h ASP 95 N 0.05 0.70 -0.48 -3.49 3.58 -0.82 -0.83 116.42 115.13 2qjm h ASP 95 Ca 0.00 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.04 2qjm h ASP 95 Cb 0.74 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2qjm h ASP 95 CO 0.05 0.85 -0.08 0.40 -2.88 0.00 0.00 179.24 177.58 2qjm h ILE 96 N 0.54 1.27 -0.57 2.25 2.04 -0.57 -2.01 117.51 120.46 2qjm h ILE 96 Ca 0.11 -1.20 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 2qjm h ILE 96 Cb 0.49 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 2qjm h ILE 96 CO 0.02 0.42 -0.01 0.50 0.00 0.00 0.00 178.15 179.07 2qjm h LYS 97 N 0.75 1.00 -0.47 2.37 3.64 -0.68 -1.27 116.57 121.92 2qjm h LYS 97 Ca 0.13 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 2qjm h LYS 97 Cb 0.62 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2qjm h LYS 97 CO 0.04 0.99 -0.13 0.00 -2.27 0.00 0.00 179.45 178.08 2qjm h ALA 98 N 1.05 0.89 -0.26 5.00 0.00 -1.07 -1.20 119.26 123.67 2qjm h ALA 98 Ca 0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2qjm h ALA 98 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qjm h ALA 98 CO 0.03 0.63 0.04 0.87 0.00 0.00 0.00 179.25 180.82 2qjm h LYS 99 N 0.78 0.44 0.00 0.00 1.57 -1.17 -1.03 116.57 117.16 2qjm h LYS 99 Ca 0.12 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2qjm h LYS 99 Cb 0.65 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2qjm h LYS 99 CO 0.05 0.57 -0.18 0.52 -0.57 0.00 0.00 179.45 179.84 2qjm h MET 100 N 0.25 0.00 0.00 3.15 2.86 -1.06 -0.81 114.93 119.31 2qjm h MET 100 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2qjm h MET 100 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2qjm h MET 100 CO 0.01 0.18 -0.27 0.00 1.06 0.00 0.00 176.91 177.88 2qjm n ALA 101 N -2.46 2.91 -2.48 6.32 0.00 -0.47 -4.93 120.51 119.41 2qjm n ALA 101 Ca -0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2qjm n ALA 101 Cb 0.25 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.41 2qjm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjm n GLY 102 N 1.47 -0.06 3.09 0.00 0.00 -0.31 -5.02 105.19 104.36 2qjm n GLY 102 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 2qjm n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qjm s MET 103 N -4.92 0.62 0.56 1.61 -1.94 -0.54 -4.83 119.30 109.87 2qjm s MET 103 Ca 0.09 -0.98 -0.19 0.00 -1.71 0.00 0.00 55.69 52.91 2qjm s MET 103 Cb -0.04 -0.19 -0.05 0.00 2.01 0.00 0.00 34.83 36.57 2qjm s MET 103 CO 0.12 0.00 1.13 -1.25 -0.01 0.00 0.00 175.02 175.01 2qjm s PRO 104 N -2.53 3.25 0.23 2.03 0.04 -1.26 -1.86 135.00 134.91 2qjm s PRO 104 Ca -0.02 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 2qjm s PRO 104 Cb -0.03 -1.99 0.40 0.00 0.04 0.00 0.00 34.50 32.92 2qjm s PRO 104 CO -0.02 -0.93 1.67 1.25 0.04 0.00 0.00 177.00 179.01 2qjm h LEU 105 N 1.01 -0.11 -2.04 -3.56 5.85 -0.90 -2.10 115.31 113.46 2qjm h LEU 105 Ca -0.50 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.48 2qjm h LEU 105 Cb 1.26 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2qjm h LEU 105 CO 0.56 -0.07 0.38 0.10 -0.34 0.00 0.00 178.44 179.07 2qjm h TYR 106 N 0.20 0.00 -0.46 1.25 -0.00 -1.86 0.81 116.97 116.91 2qjm h TYR 106 Ca 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 59.04 2qjm h TYR 106 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.35 2qjm h TYR 106 CO -0.31 0.00 -0.02 1.96 -0.00 0.00 0.00 178.16 179.79 2qjm h GLN 107 N 0.00 0.78 -0.03 0.10 1.08 -1.69 -0.89 115.11 114.47 2qjm h GLN 107 Ca 0.18 -0.22 -0.14 0.00 -1.45 0.00 0.00 58.65 57.02 2qjm h GLN 107 Cb 0.93 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 2qjm h GLN 107 CO -0.00 0.80 -0.64 -0.07 -0.95 0.00 0.00 178.83 177.97 2qjm h LEU 108 N 0.72 0.13 -1.18 1.46 4.07 -0.96 -2.98 115.31 116.57 2qjm h LEU 108 Ca 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2qjm h LEU 108 Cb 0.47 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.17 2qjm h LEU 108 CO 0.02 0.73 0.00 -0.07 -1.08 0.00 0.00 178.44 178.04 2qjm h LEU 109 N 0.08 0.00 0.00 1.67 3.38 -1.28 -3.45 115.31 115.71 2qjm h LEU 109 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qjm h LEU 109 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2qjm h LEU 109 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 2qjm n GLY 110 N 0.13 -0.96 0.00 0.83 0.00 -1.08 -5.02 105.19 99.10 2qjm n GLY 110 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qjm n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjm n GLY 111 N 0.00 -0.59 3.72 -0.02 0.00 -0.37 -4.94 105.19 102.99 2qjm n GLY 111 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2qjm n GLY 111 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qjm s ARG 112 N -1.57 4.46 -0.02 1.61 3.52 -1.26 -4.17 118.95 121.53 2qjm s ARG 112 Ca 0.00 1.75 0.13 0.00 -0.13 0.00 0.00 55.73 57.48 2qjm s ARG 112 Cb 0.00 -3.34 -0.20 0.00 -1.56 0.00 0.00 34.95 29.85 2qjm s ARG 112 CO 0.00 -0.19 0.31 0.43 -0.81 0.00 0.00 175.30 175.04 2qjm n SER 113 N 3.64 1.85 -3.93 -2.12 7.64 -0.05 -4.98 113.62 115.67 2qjm n SER 113 Ca 0.08 -0.05 -0.09 0.00 1.01 0.00 0.00 58.87 59.81 2qjm n SER 113 Cb 0.47 1.57 -0.05 0.00 -1.01 0.00 0.00 64.21 65.19 2qjm n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qjm s ARG 114 N -2.89 1.58 0.00 1.43 1.70 -1.21 -5.07 118.95 114.50 2qjm s ARG 114 Ca -0.04 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 53.93 2qjm s ARG 114 Cb 0.09 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2qjm s ARG 114 CO 0.56 -0.66 0.00 -0.25 -1.08 0.00 0.00 175.30 173.87 2qjm n ASP 115 N -0.47 0.00 -4.94 -2.89 8.00 -1.26 -4.96 116.55 110.04 2qjm n ASP 115 Ca -0.02 0.10 -0.24 0.00 0.71 0.00 0.00 54.79 55.34 2qjm n ASP 115 Cb 0.62 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.52 2qjm n ASP 115 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qjm s GLY 116 N -1.55 1.36 -0.35 0.44 0.00 -1.26 -4.84 107.32 101.12 2qjm s GLY 116 Ca 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.80 2qjm s GLY 116 CO 0.00 -0.77 0.14 -0.42 0.00 0.00 0.00 173.10 172.05 2qjm s ILE 117 N -2.38 3.93 0.24 0.90 -1.09 0.06 -4.94 121.20 117.92 2qjm s ILE 117 Ca 0.41 -1.15 -0.30 0.00 -2.23 0.00 0.00 60.65 57.38 2qjm s ILE 117 Cb -0.10 -3.26 -0.10 0.00 -1.58 0.00 0.00 42.46 37.43 2qjm s ILE 117 CO 0.37 -0.24 1.41 -0.32 -1.23 0.00 0.00 174.94 174.94 2qjm s MET 118 N 1.42 4.29 0.44 2.79 -2.45 -1.26 -1.11 119.30 123.42 2qjm s MET 118 Ca -0.00 2.26 0.03 0.00 -1.25 0.00 0.00 55.69 56.72 2qjm s MET 118 Cb -0.20 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.73 2qjm s MET 118 CO 0.03 -0.38 0.06 0.14 1.05 0.00 0.00 175.02 175.92 2qjm s VAL 119 N -0.02 1.02 0.04 10.11 -7.23 -1.18 -0.88 120.40 122.27 2qjm s VAL 119 Ca 0.59 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2qjm s VAL 119 Cb -0.41 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 2qjm s VAL 119 CO 0.43 0.00 -0.09 -0.72 -0.31 0.00 0.00 175.10 174.40 2qjm s TYR 120 N -3.04 0.81 0.48 2.82 -0.85 -1.15 -4.00 117.35 112.42 2qjm s TYR 120 Ca 0.20 -0.42 0.08 0.00 -0.52 0.00 0.00 57.07 56.41 2qjm s TYR 120 Cb 0.04 -0.48 0.03 0.00 0.38 0.00 0.00 41.96 41.93 2qjm s TYR 120 CO 0.11 -0.03 0.61 0.20 -1.52 0.00 0.00 175.55 174.91 2qjm s GLY 121 N -1.37 1.93 -0.55 5.49 0.00 -0.92 -3.16 107.32 108.74 2qjm s GLY 121 Ca -0.06 -1.83 -0.07 0.00 0.00 0.00 0.00 44.72 42.77 2qjm s GLY 121 CO 0.01 -1.61 0.40 0.30 0.00 0.00 0.00 173.10 172.20 2qjm s HIS 122 N -2.49 3.49 -0.23 1.90 3.76 -1.26 -0.63 115.29 119.83 2qjm s HIS 122 Ca 0.55 -2.26 -0.12 0.00 -0.15 0.00 0.00 55.06 53.08 2qjm s HIS 122 Cb -0.07 -3.39 -0.05 0.00 1.11 0.00 0.00 32.58 30.18 2qjm s HIS 122 CO 0.34 -0.94 0.21 0.00 -0.85 0.00 0.00 174.74 173.49 2qjm s ALA 123 N 0.72 3.60 0.21 -1.40 0.00 0.04 -5.00 121.76 119.93 2qjm s ALA 123 Ca 0.11 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 2qjm s ALA 123 Cb -0.22 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 2qjm s ALA 123 CO -0.03 -0.23 0.33 0.54 0.00 0.00 0.00 175.76 176.37 2qjm s ASN 124 N 1.07 0.01 0.02 0.00 6.03 -1.26 -1.03 114.94 119.79 2qjm s ASN 124 Ca 0.10 -1.06 -0.29 0.00 -1.03 0.00 0.00 52.86 50.58 2qjm s ASN 124 Cb -0.14 0.49 0.10 0.00 -3.03 0.00 0.00 41.25 38.67 2qjm s ASN 124 CO 0.05 -0.99 1.08 -0.83 -2.03 0.00 0.00 177.10 174.38 2qjm s GLY 125 N -3.05 -0.34 0.55 0.45 0.00 -1.08 -4.37 107.32 99.48 2qjm s GLY 125 Ca 0.26 0.69 0.33 0.00 0.00 0.00 0.00 44.72 46.01 2qjm s GLY 125 CO 0.08 0.18 2.06 1.76 0.00 0.00 0.00 173.10 177.18 2qjm h SER 126 N 2.00 0.00 -5.30 1.64 0.02 -1.91 -0.72 113.55 109.28 2qjm h SER 126 Ca -0.23 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.55 2qjm h SER 126 Cb 1.21 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 2qjm h SER 126 CO 0.27 0.05 0.02 1.51 -1.14 0.00 0.00 176.83 177.55 2qjm s ASP 127 N -5.74 0.57 0.11 3.07 3.84 -1.26 -3.63 116.67 113.62 2qjm s ASP 127 Ca -0.01 -1.37 -0.24 0.00 -0.00 0.00 0.00 52.55 50.93 2qjm s ASP 127 Cb 0.11 0.76 -0.08 0.00 -1.38 0.00 0.00 42.92 42.32 2qjm s ASP 127 CO 0.54 -1.50 1.68 0.40 -0.00 0.00 0.00 175.17 176.29 2qjm h ILE 128 N 2.04 0.67 -0.50 2.11 2.04 -1.88 -0.38 117.51 121.61 2qjm h ILE 128 Ca -0.30 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.66 2qjm h ILE 128 Cb 1.24 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 37.91 2qjm h ILE 128 CO 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.51 2qjm h ALA 129 N 0.69 0.43 -0.44 1.87 0.00 -1.98 0.60 119.26 120.43 2qjm h ALA 129 Ca 0.04 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2qjm h ALA 129 Cb 0.29 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2qjm h ALA 129 CO -0.12 -0.41 0.10 1.49 0.00 0.00 0.00 179.25 180.31 2qjm h GLU 130 N 0.07 0.71 -0.74 0.00 4.81 -1.89 -1.68 114.58 115.86 2qjm h GLU 130 Ca 0.25 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2qjm h GLU 130 Cb 0.38 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 2qjm h GLU 130 CO -0.45 0.72 0.25 1.15 -0.73 0.00 0.00 179.01 179.95 2qjm h THR 131 N 0.58 1.26 -0.42 0.32 2.02 -0.06 -0.99 112.91 115.62 2qjm h THR 131 Ca 0.14 -0.87 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 2qjm h THR 131 Cb 0.34 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2qjm h THR 131 CO 0.00 0.35 0.05 0.58 0.37 0.00 0.00 175.52 176.87 2qjm h VAL 132 N 1.09 1.21 -0.20 3.16 2.07 0.41 -1.10 116.25 122.88 2qjm h VAL 132 Ca 0.24 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 2qjm h VAL 132 Cb 0.28 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2qjm h VAL 132 CO -0.01 0.28 -0.44 -0.08 0.02 0.00 0.00 177.57 177.34 2qjm h GLU 133 N 0.63 0.50 -0.44 1.57 4.81 -0.86 -2.91 114.58 117.88 2qjm h GLU 133 Ca 0.14 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2qjm h GLU 133 Cb 0.32 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2qjm h GLU 133 CO 0.01 0.85 0.11 0.00 -0.73 0.00 0.00 179.01 179.25 2qjm h ALA 134 N 1.11 0.58 -0.61 2.92 0.00 -0.18 -2.64 119.26 120.45 2qjm h ALA 134 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qjm h ALA 134 Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2qjm h ALA 134 CO 0.08 0.26 0.35 0.28 0.00 0.00 0.00 179.25 180.23 2qjm h VAL 135 N 0.58 1.19 -0.38 0.00 2.07 -1.19 -1.90 116.25 116.62 2qjm h VAL 135 Ca 0.14 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2qjm h VAL 135 Cb 0.31 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2qjm h VAL 135 CO 0.00 0.20 0.25 1.23 0.02 0.00 0.00 177.57 179.27 2qjm h GLY 136 N 0.82 0.45 0.89 2.17 0.00 -1.37 0.09 103.07 106.11 2qjm h GLY 136 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2qjm h GLY 136 CO -0.04 0.14 0.04 0.84 0.00 0.00 0.00 176.54 177.52 2qjm h HIS 137 N 0.40 0.54 -0.24 5.60 6.17 -0.99 0.12 115.15 126.75 2qjm h HIS 137 Ca 0.15 -0.08 -0.10 0.00 0.71 0.00 0.00 60.37 61.05 2qjm h HIS 137 Cb 0.12 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 2qjm h HIS 137 CO -0.00 0.60 -0.29 1.88 0.71 0.00 0.00 177.93 180.83 2qjm h TYR 138 N 0.32 0.54 -0.47 5.26 0.05 -0.96 -1.33 116.97 120.38 2qjm h TYR 138 Ca 0.09 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 2qjm h TYR 138 Cb 0.36 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2qjm h TYR 138 CO 0.02 0.72 0.11 0.82 -1.05 0.00 0.00 178.16 178.78 2qjm h ILE 139 N 0.41 1.24 -0.08 -2.88 2.04 -0.78 -1.62 117.51 115.85 2qjm h ILE 139 Ca 0.05 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.09 2qjm h ILE 139 Cb 0.72 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2qjm h ILE 139 CO 0.06 0.30 0.06 0.44 0.00 0.00 0.00 178.15 179.01 2qjm h ASP 140 N 0.63 0.00 -0.12 1.72 3.32 -0.04 -0.18 116.42 121.75 2qjm h ASP 140 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2qjm h ASP 140 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2qjm h ASP 140 CO 0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75 2qjm n MET 141 N -4.23 1.53 -0.42 3.56 2.81 -0.57 -4.91 117.12 114.89 2qjm n MET 141 Ca -0.01 -0.79 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 2qjm n MET 141 Cb 0.17 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2qjm n MET 141 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qjm n GLY 142 N 1.03 0.79 3.72 3.03 0.00 -0.08 -4.39 105.19 109.28 2qjm n GLY 142 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2qjm n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qjm s TYR 143 N -2.04 3.34 -0.24 1.61 1.51 -0.69 -3.30 117.35 117.54 2qjm s TYR 143 Ca 0.00 1.18 0.20 0.00 -1.01 0.00 0.00 57.07 57.45 2qjm s TYR 143 Cb 0.00 -3.54 0.05 0.00 -0.11 0.00 0.00 41.96 38.36 2qjm s TYR 143 CO 0.00 -1.74 1.17 0.87 -1.11 0.00 0.00 175.55 174.74 2qjm h LYS 144 N 6.38 0.00 -4.18 -0.62 1.57 -1.82 -3.42 116.57 114.48 2qjm h LYS 144 Ca -0.43 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.02 2qjm h LYS 144 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.23 2qjm h LYS 144 CO 0.82 0.13 -0.75 0.00 -0.57 0.00 0.00 179.45 179.07 2qjm s ALA 145 N -3.18 0.42 -0.03 3.86 0.00 -1.26 -1.89 121.76 119.68 2qjm s ALA 145 Ca 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2qjm s ALA 145 Cb 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.06 2qjm s ALA 145 CO 0.76 0.07 -0.02 0.42 0.00 0.00 0.00 175.76 176.99 2qjm s ILE 146 N 0.13 0.33 -0.11 0.00 1.09 0.68 -2.16 121.20 121.17 2qjm s ILE 146 Ca -0.01 -0.04 -0.19 0.00 -1.10 0.00 0.00 60.65 59.30 2qjm s ILE 146 Cb -0.05 -0.37 -0.04 0.00 -1.06 0.00 0.00 42.46 40.94 2qjm s ILE 146 CO -0.00 0.16 0.52 -0.60 -0.10 0.00 0.00 174.94 174.92 2qjm s ARG 147 N 0.73 4.36 -0.22 2.79 3.52 0.20 -1.05 118.95 129.28 2qjm s ARG 147 Ca -0.08 0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 56.04 2qjm s ARG 147 Cb -0.11 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2qjm s ARG 147 CO -0.01 0.13 -0.09 0.00 -0.81 0.00 0.00 175.30 174.53 2qjm s ALA 148 N 0.69 2.66 -0.05 6.12 0.00 -0.43 -0.78 121.76 129.97 2qjm s ALA 148 Ca 0.28 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2qjm s ALA 148 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 2qjm s ALA 148 CO 0.12 -0.54 -0.22 -0.65 0.00 0.00 0.00 175.76 174.47 2qjm s GLN 149 N 1.38 2.15 0.09 0.00 -1.52 -0.20 -4.69 119.66 116.88 2qjm s GLN 149 Ca 0.04 -0.78 0.05 0.00 -1.95 0.00 0.00 55.36 52.71 2qjm s GLN 149 Cb -0.15 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 30.73 2qjm s GLN 149 CO -0.06 0.35 -0.14 -0.08 -0.25 0.00 0.00 175.29 175.12 2qjm s THR 150 N -0.16 1.15 0.48 -0.19 -1.32 -1.26 -2.64 115.64 111.70 2qjm s THR 150 Ca -0.01 -1.48 -0.15 0.00 -1.21 0.00 0.00 61.69 58.84 2qjm s THR 150 Cb -0.12 -1.25 -0.08 0.00 -1.51 0.00 0.00 72.50 69.54 2qjm s THR 150 CO 0.02 -0.33 0.93 -0.83 -2.21 0.00 0.00 174.62 172.21 2qjm s GLY 151 N -2.05 2.06 -0.30 6.08 0.00 -0.28 -4.96 107.32 107.87 2qjm s GLY 151 Ca 0.02 0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.79 2qjm s GLY 151 CO 0.02 0.37 0.07 0.14 0.00 0.00 0.00 173.10 173.70 2qjm s VAL 152 N -2.53 3.80 0.04 1.40 1.01 -1.26 -4.36 120.40 118.50 2qjm s VAL 152 Ca 0.57 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 61.39 2qjm s VAL 152 Cb -0.10 -3.01 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 2qjm s VAL 152 CO 0.30 0.02 1.84 -2.65 0.00 0.00 0.00 175.10 174.62 2qjm n PRO 153 N 4.83 2.52 0.00 2.72 -0.02 -1.26 -2.06 135.00 141.73 2qjm n PRO 153 Ca -0.14 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2qjm n PRO 153 Cb 0.47 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2qjm n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qjm n GLY 154 N 4.24 0.91 0.00 -1.23 0.00 -1.26 -5.06 105.19 102.79 2qjm n GLY 154 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2qjm n GLY 154 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2qjm n ILE 155 N -0.61 0.00 0.00 -0.61 5.41 -0.88 -5.00 119.36 117.67 2qjm n ILE 155 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2qjm n ILE 155 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2qjm n ILE 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qjm n ALA 173 N -3.00 0.59 0.08 -1.39 0.00 -1.26 -4.73 120.51 110.80 2qjm n ALA 173 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 2qjm n ALA 173 Cb 0.00 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.19 2qjm n ALA 173 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qjm h SER 174 N 0.00 0.00 -5.15 0.00 4.64 -1.92 -1.74 113.55 109.38 2qjm h SER 174 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2qjm h SER 174 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 2qjm h SER 174 CO 0.00 0.00 -0.69 -0.76 -0.87 0.00 0.00 176.83 174.51 2qjm s LEU 175 N -8.17 2.41 -0.25 5.97 1.43 -1.26 -4.73 118.68 114.08 2qjm s LEU 175 Ca -0.05 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 51.91 2qjm s LEU 175 Cb 0.18 0.17 -0.08 0.00 0.03 0.00 0.00 46.19 46.48 2qjm s LEU 175 CO 0.64 -0.50 2.19 -2.65 0.23 0.00 0.00 176.35 176.26 2qjm n PRO 176 N 0.61 1.69 -2.02 1.29 -0.02 -1.26 -4.75 135.00 130.53 2qjm n PRO 176 Ca -0.17 0.48 -0.34 0.00 -2.02 0.00 0.00 63.50 61.44 2qjm n PRO 176 Cb 0.59 -2.93 0.02 0.00 -0.02 0.00 0.00 33.50 31.16 2qjm n PRO 176 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qjm s SER 177 N 7.64 5.42 -0.17 2.55 1.04 -1.26 -4.72 113.70 124.20 2qjm s SER 177 Ca 1.03 2.11 -0.05 0.00 0.48 0.00 0.00 55.95 59.52 2qjm s SER 177 Cb -0.54 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 62.98 2qjm s SER 177 CO 0.41 -1.42 -0.01 -0.69 0.98 0.00 0.00 173.24 172.51 2qjm s VAL 178 N -2.02 4.09 -0.02 5.02 1.01 -1.26 -0.78 120.40 126.45 2qjm s VAL 178 Ca 0.70 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.47 2qjm s VAL 178 Cb -0.23 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2qjm s VAL 178 CO 0.34 0.47 -0.21 0.42 0.00 0.00 0.00 175.10 176.12 2qjm s THR 179 N 0.50 2.54 0.57 3.92 -4.23 0.03 -4.97 115.64 114.02 2qjm s THR 179 Ca -0.02 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.45 2qjm s THR 179 Cb -0.14 -1.97 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2qjm s THR 179 CO 0.02 0.53 0.86 -0.83 -0.54 0.00 0.00 174.62 174.66 2qjm s GLY 180 N -0.83 1.64 -0.19 3.99 0.00 -1.26 -1.03 107.32 109.63 2qjm s GLY 180 Ca 0.11 -0.88 -0.26 0.00 0.00 0.00 0.00 44.72 43.69 2qjm s GLY 180 CO 0.01 -0.61 0.67 0.86 0.00 0.00 0.00 173.10 174.04 2qjm s TRP 181 N -2.91 -0.71 -0.14 1.90 -0.11 -0.87 -4.83 118.94 111.26 2qjm s TRP 181 Ca 0.54 1.60 -0.04 0.00 1.22 0.00 0.00 56.10 59.41 2qjm s TRP 181 Cb -0.10 0.30 0.07 0.00 -1.50 0.00 0.00 33.47 32.23 2qjm s TRP 181 CO 0.43 -0.43 0.25 0.34 -4.62 0.00 0.00 176.95 172.91 2qjm s ASP 182 N -0.13 0.61 0.06 5.86 2.15 -1.26 -3.40 116.67 120.57 2qjm s ASP 182 Ca -0.04 0.37 -0.22 0.00 0.43 0.00 0.00 52.55 53.10 2qjm s ASP 182 Cb -0.03 0.60 -0.13 0.00 -0.30 0.00 0.00 42.92 43.05 2qjm s ASP 182 CO 0.04 -0.26 1.55 0.74 -0.17 0.00 0.00 175.17 177.06 2qjm h THR 183 N 6.30 1.19 -0.61 1.71 2.02 -2.00 -2.85 112.91 118.67 2qjm h THR 183 Ca -0.15 -0.59 0.10 0.00 0.77 0.00 0.00 66.41 66.54 2qjm h THR 183 Cb 1.12 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 68.86 2qjm h THR 183 CO 0.17 0.17 0.22 -0.09 0.37 0.00 0.00 175.52 176.36 2qjm h ARG 184 N -0.04 0.39 -0.75 6.66 9.65 -1.99 0.12 114.38 128.41 2qjm h ARG 184 Ca 0.03 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2qjm h ARG 184 Cb 0.24 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 2qjm h ARG 184 CO 0.00 0.26 0.47 0.87 2.80 0.00 0.00 179.97 184.37 2qjm h LYS 185 N 0.40 1.01 -0.59 0.20 1.57 -1.98 -2.00 116.57 115.18 2qjm h LYS 185 Ca 0.31 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 2qjm h LYS 185 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2qjm h LYS 185 CO -0.32 0.70 -0.04 0.00 -0.57 0.00 0.00 179.45 179.22 2qjm h ALA 186 N 1.25 0.81 -0.02 3.86 0.00 -0.99 -2.00 119.26 122.17 2qjm h ALA 186 Ca 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qjm h ALA 186 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2qjm h ALA 186 CO -0.05 0.67 -0.20 -0.07 0.00 0.00 0.00 179.25 179.61 2qjm h LEU 187 N 0.96 0.03 0.00 0.00 3.38 -0.48 0.97 115.31 120.17 2qjm h LEU 187 Ca 0.16 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 2qjm h LEU 187 Cb 0.61 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2qjm h LEU 187 CO 0.04 0.23 -1.00 0.78 0.09 0.00 0.00 178.44 178.58 2qjm h ASN 188 N 0.03 0.00 0.00 -0.43 2.35 -1.10 -3.40 115.58 113.03 2qjm h ASN 188 Ca 0.01 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.45 2qjm h ASN 188 Cb 0.37 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 2qjm h ASN 188 CO 0.03 0.83 -1.76 0.00 -1.65 0.00 0.00 177.43 174.88 2qjm n TYR 189 N -3.24 0.52 -0.29 1.19 9.36 -0.77 -4.53 117.16 119.40 2qjm n TYR 189 Ca -0.03 0.23 0.11 0.00 3.32 0.00 0.00 57.90 61.53 2qjm n TYR 189 Cb 0.89 -1.00 0.27 0.00 -0.63 0.00 0.00 39.34 38.86 2qjm n TYR 189 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2qjm h VAL 190 N -1.00 0.49 -0.09 2.97 2.07 -1.05 -0.34 116.25 119.30 2qjm h VAL 190 Ca -0.46 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 2qjm h VAL 190 Cb 1.37 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2qjm h VAL 190 CO -0.28 0.07 -0.06 -0.65 0.02 0.00 0.00 177.57 176.67 2qjm h PRO 191 N 0.37 0.13 -0.17 1.57 0.11 -1.79 -2.03 132.00 130.20 2qjm h PRO 191 Ca 0.51 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.53 2qjm h PRO 191 Cb 0.94 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 2qjm h PRO 191 CO -0.52 0.20 -0.22 0.87 -0.21 0.00 0.00 178.00 178.12 2qjm h LYS 192 N 0.13 0.29 0.39 1.05 1.57 -1.29 -2.06 116.57 116.65 2qjm h LYS 192 Ca 0.03 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2qjm h LYS 192 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2qjm h LYS 192 CO 0.01 0.50 -0.25 1.25 -0.57 0.00 0.00 179.45 180.39 2qjm h LEU 193 N 0.26 -0.62 -1.31 2.94 5.85 -1.24 -1.19 115.31 119.99 2qjm h LEU 193 Ca 0.05 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 2qjm h LEU 193 Cb 0.54 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2qjm h LEU 193 CO 0.04 -0.39 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.20 2qjm h PHE 194 N -0.62 0.00 -0.19 1.25 0.04 -1.54 -0.18 116.94 115.71 2qjm h PHE 194 Ca -0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2qjm h PHE 194 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 2qjm h PHE 194 CO -0.10 0.28 0.02 1.49 -0.60 0.00 0.00 178.31 179.40 2qjm h GLU 195 N 0.00 0.32 -0.70 1.51 4.81 -1.11 -1.46 114.58 117.95 2qjm h GLU 195 Ca -0.00 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2qjm h GLU 195 Cb 0.66 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2qjm h GLU 195 CO 0.04 0.50 0.25 0.93 -0.73 0.00 0.00 179.01 180.00 2qjm h GLU 196 N 0.09 1.07 -0.69 1.92 4.39 -0.77 -2.11 114.58 118.49 2qjm h GLU 196 Ca 0.05 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2qjm h GLU 196 Cb 0.35 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 2qjm h GLU 196 CO 0.01 0.90 0.34 -0.07 -1.16 0.00 0.00 179.01 179.03 2qjm h LEU 197 N 1.02 0.87 -0.17 1.33 3.38 -0.90 -1.05 115.31 119.79 2qjm h LEU 197 Ca 0.23 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 2qjm h LEU 197 Cb 0.25 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.79 2qjm h LEU 197 CO -0.01 0.72 -0.79 0.03 0.09 0.00 0.00 178.44 178.48 2qjm h ARG 198 N 0.97 0.77 0.00 1.13 2.47 -0.97 -0.01 114.38 118.73 2qjm h ARG 198 Ca 0.24 -0.64 -0.02 0.00 -1.26 0.00 0.00 59.98 58.30 2qjm h ARG 198 Cb 0.07 0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2qjm h ARG 198 CO -0.03 1.24 -0.09 1.57 0.56 0.00 0.00 179.97 183.22 2qjm h LYS 199 N 0.52 0.00 0.00 0.04 2.10 -1.20 0.22 116.57 118.26 2qjm h LYS 199 Ca -0.06 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.47 2qjm h LYS 199 Cb 1.42 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.73 2qjm h LYS 199 CO 0.16 0.09 -0.66 1.15 -2.00 0.00 0.00 179.45 178.20 2qjm h THR 200 N 0.00 1.34 -0.01 0.07 2.02 -1.09 -3.41 112.91 111.83 2qjm h THR 200 Ca -0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 2qjm h THR 200 Cb 0.69 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 2qjm h THR 200 CO 0.01 0.46 -0.35 -1.22 0.37 0.00 0.00 175.52 174.80 2qjm n TYR 201 N -4.51 0.00 -2.79 3.16 4.01 -0.03 -5.09 117.16 111.91 2qjm n TYR 201 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2qjm n TYR 201 Cb 0.59 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.62 2qjm n TYR 201 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qjm n GLY 202 N 1.10 -2.11 1.54 2.72 0.00 0.78 -4.49 105.19 104.74 2qjm n GLY 202 Ca 0.05 -1.44 0.10 0.00 0.00 0.00 0.00 46.02 44.73 2qjm n GLY 202 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qjm n PHE 203 N -0.46 1.39 -0.36 1.61 3.72 -1.26 -4.48 117.46 117.62 2qjm n PHE 203 Ca 0.00 -0.57 -0.12 0.00 -0.05 0.00 0.00 57.45 56.70 2qjm n PHE 203 Cb 0.01 -0.20 0.13 0.00 -0.94 0.00 0.00 39.48 38.48 2qjm n PHE 203 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2qjm n ASP 204 N 1.22 3.53 -3.89 4.37 5.75 -1.26 -4.86 116.55 121.41 2qjm n ASP 204 Ca 0.25 -2.95 -0.11 0.00 -0.01 0.00 0.00 54.79 51.98 2qjm n ASP 204 Cb 0.83 -0.70 -0.12 0.00 -1.03 0.00 0.00 41.12 40.11 2qjm n ASP 204 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2qjm s HIS 205 N -2.05 0.05 -0.19 2.11 3.76 -1.26 -5.08 115.29 112.63 2qjm s HIS 205 Ca 0.35 -0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 54.90 2qjm s HIS 205 Cb 0.29 -0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.91 2qjm s HIS 205 CO 0.07 -0.16 0.85 -1.01 -0.85 0.00 0.00 174.74 173.65 2qjm s HIS 206 N -0.81 3.39 -0.09 1.40 3.76 -0.79 -4.98 115.29 117.17 2qjm s HIS 206 Ca -0.09 1.26 0.03 0.00 -0.15 0.00 0.00 55.06 56.11 2qjm s HIS 206 Cb -0.05 -3.05 -0.01 0.00 1.11 0.00 0.00 32.58 30.58 2qjm s HIS 206 CO 0.00 -0.29 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.90 2qjm s LEU 207 N 2.36 2.40 0.26 0.89 1.43 -1.26 -0.23 118.68 124.53 2qjm s LEU 207 Ca 0.38 -0.40 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 2qjm s LEU 207 Cb -0.16 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 2qjm s LEU 207 CO 0.11 0.22 -0.17 -0.76 0.23 0.00 0.00 176.35 175.98 2qjm s LEU 208 N -0.03 2.58 -0.08 1.79 1.02 -0.22 0.83 118.68 124.58 2qjm s LEU 208 Ca -0.06 -1.04 -0.06 0.00 0.02 0.00 0.00 54.13 52.99 2qjm s LEU 208 Cb -0.15 -0.94 0.02 0.00 0.02 0.00 0.00 46.19 45.15 2qjm s LEU 208 CO 0.05 -0.05 0.20 -2.28 0.02 0.00 0.00 176.35 174.28 2qjm s HIS 209 N -2.68 -0.23 -0.36 0.29 2.46 -0.89 -1.32 115.29 112.56 2qjm s HIS 209 Ca 0.28 0.56 -0.10 0.00 0.47 0.00 0.00 55.06 56.27 2qjm s HIS 209 Cb -0.03 0.06 0.03 0.00 -0.13 0.00 0.00 32.58 32.50 2qjm s HIS 209 CO 0.12 -0.13 0.18 0.34 -2.47 0.00 0.00 174.74 172.78 2qjm s ASP 210 N 0.36 5.62 0.36 9.88 -1.08 -1.26 -0.45 116.67 130.09 2qjm s ASP 210 Ca -0.02 -0.99 0.27 0.00 -0.52 0.00 0.00 52.55 51.29 2qjm s ASP 210 Cb -0.04 -1.99 1.00 0.00 -1.46 0.00 0.00 42.92 40.44 2qjm s ASP 210 CO -0.02 -0.36 1.79 1.23 0.52 0.00 0.00 175.17 178.34 2qjm h GLY 211 N 8.38 0.00 -6.55 2.66 0.00 -0.75 -3.47 103.07 103.33 2qjm h GLY 211 Ca -0.26 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.56 2qjm h GLY 211 CO 0.65 0.00 -0.90 1.57 0.00 0.00 0.00 176.54 177.85 2qjm n HIS 212 N -2.58 -1.61 -1.04 5.60 -0.00 -1.19 -2.42 115.22 111.97 2qjm n HIS 212 Ca 0.02 0.69 -0.04 0.00 0.46 0.00 0.00 57.72 58.85 2qjm n HIS 212 Cb 0.32 -3.59 -0.02 0.00 -0.12 0.00 0.00 29.99 26.58 2qjm n HIS 212 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2qjm n HIS 213 N -4.42 -0.02 0.21 1.57 8.25 0.13 -4.71 115.22 116.22 2qjm n HIS 213 Ca -0.29 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.27 2qjm n HIS 213 Cb 0.68 -2.16 0.23 0.00 1.12 0.00 0.00 29.99 29.86 2qjm n HIS 213 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qjm h ARG 214 N 0.00 0.00 -6.19 -0.41 2.47 -1.61 -3.39 114.38 105.25 2qjm h ARG 214 Ca -0.09 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.14 2qjm h ARG 214 Cb 0.97 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.25 2qjm h ARG 214 CO 0.13 0.12 -0.50 0.71 0.56 0.00 0.00 179.97 180.98 2qjm s TYR 215 N -3.25 3.22 0.61 3.04 2.02 -0.99 -4.94 117.35 117.05 2qjm s TYR 215 Ca 0.05 -0.07 -0.01 0.00 -0.37 0.00 0.00 57.07 56.67 2qjm s TYR 215 Cb 0.06 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2qjm s TYR 215 CO 0.67 0.50 0.86 0.95 -1.57 0.00 0.00 175.55 176.96 2qjm s THR 216 N -2.04 2.52 0.20 -0.71 -4.23 -1.26 -4.14 115.64 105.97 2qjm s THR 216 Ca 0.33 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 2qjm s THR 216 Cb -0.08 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.88 2qjm s THR 216 CO 0.26 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.48 2qjm h PRO 217 N -0.17 0.55 -0.41 3.99 0.11 -1.93 0.08 132.00 134.21 2qjm h PRO 217 Ca -0.43 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2qjm h PRO 217 Cb 1.30 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2qjm h PRO 217 CO 0.55 0.36 0.18 0.37 -0.21 0.00 0.00 178.00 179.25 2qjm h GLN 218 N 0.56 0.61 -0.44 1.05 -0.00 -1.94 -0.06 115.11 114.89 2qjm h GLN 218 Ca 0.27 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.65 58.74 2qjm h GLN 218 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 2qjm h GLN 218 CO -0.19 0.56 -0.04 0.93 0.00 0.00 0.00 178.83 180.08 2qjm h GLU 219 N 0.52 0.73 -0.64 1.69 5.08 -1.87 0.42 114.58 120.52 2qjm h GLU 219 Ca 0.14 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2qjm h GLU 219 Cb 0.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2qjm h GLU 219 CO -0.01 0.77 0.08 0.00 -1.00 0.00 0.00 179.01 178.84 2qjm h ALA 220 N 1.28 0.85 -0.25 3.43 0.00 -0.64 0.35 119.26 124.29 2qjm h ALA 220 Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qjm h ALA 220 Cb 0.48 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qjm h ALA 220 CO 0.02 0.64 0.11 0.00 0.00 0.00 0.00 179.25 180.03 2qjm h ALA 221 N 1.03 0.32 -0.22 0.00 0.00 -0.50 0.26 119.26 120.14 2qjm h ALA 221 Ca 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2qjm h ALA 221 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2qjm h ALA 221 CO 0.02 -0.11 0.10 -0.97 0.00 0.00 0.00 179.25 178.29 2qjm h ASN 222 N 0.26 0.14 -0.21 0.00 -1.24 -0.54 -0.80 115.58 113.19 2qjm h ASN 222 Ca 0.08 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 2qjm h ASN 222 Cb 0.14 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 2qjm h ASN 222 CO -0.01 0.11 0.09 0.25 -1.29 0.00 0.00 177.43 176.58 2qjm h LEU 223 N 0.22 0.29 -1.28 0.34 5.85 -0.04 -2.31 115.31 118.38 2qjm h LEU 223 Ca 0.09 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2qjm h LEU 223 Cb 0.04 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2qjm h LEU 223 CO -0.08 0.37 0.49 1.23 -0.34 0.00 0.00 178.44 180.12 2qjm h GLY 224 N 0.19 1.04 1.00 3.75 0.00 -0.29 -1.81 103.07 106.96 2qjm h GLY 224 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2qjm h GLY 224 CO -0.01 0.36 0.09 1.70 0.00 0.00 0.00 176.54 178.68 2qjm h LYS 225 N 0.97 0.87 0.00 4.80 3.64 -0.97 -2.36 116.57 123.52 2qjm h LYS 225 Ca 0.28 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2qjm h LYS 225 Cb -0.05 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2qjm h LYS 225 CO -0.07 0.85 -0.15 0.52 -2.27 0.00 0.00 179.45 178.33 2qjm h MET 226 N 0.75 0.00 0.00 1.90 2.86 -0.88 -2.89 114.93 116.67 2qjm h MET 226 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2qjm h MET 226 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2qjm h MET 226 CO 0.01 0.15 -0.50 1.28 1.06 0.00 0.00 176.91 178.91 2qjm n LEU 227 N -3.32 0.52 -0.32 1.22 4.77 -0.73 -4.30 117.00 114.83 2qjm n LEU 227 Ca 0.00 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 2qjm n LEU 227 Cb 0.37 -0.25 0.37 0.00 -2.33 0.00 0.00 43.42 41.58 2qjm n LEU 227 CO 0.31 0.06 1.21 -0.33 -1.33 0.00 0.00 177.39 177.31 2qjm h GLU 228 N 0.00 0.66 0.00 3.23 5.08 -1.21 -0.68 114.58 121.66 2qjm h GLU 228 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2qjm h GLU 228 Cb 0.58 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2qjm h GLU 228 CO 0.00 0.44 0.00 -1.35 -1.00 0.00 0.00 179.01 177.10 2qjm h PRO 229 N 0.68 0.00 -0.50 2.33 0.11 -1.80 -2.78 132.00 130.04 2qjm h PRO 229 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2qjm h PRO 229 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2qjm h PRO 229 CO -0.31 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.14 2qjm n TYR 230 N -2.71 0.65 -3.76 0.65 4.01 -0.26 -5.01 117.16 110.73 2qjm n TYR 230 Ca -0.00 -0.33 -0.27 0.00 -0.16 0.00 0.00 57.90 57.14 2qjm n TYR 230 Cb 0.19 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 2qjm n TYR 230 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qjm n GLN 231 N 1.48 -1.23 -2.03 -0.72 1.13 -1.05 -4.93 117.38 110.04 2qjm n GLN 231 Ca 0.21 0.67 -0.32 0.00 -1.94 0.00 0.00 57.00 55.62 2qjm n GLN 231 Cb 0.59 -2.85 0.01 0.00 0.11 0.00 0.00 30.24 28.10 2qjm n GLN 231 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qjm s LEU 232 N -5.50 3.46 0.16 1.08 1.02 -1.26 -4.66 118.68 112.98 2qjm s LEU 232 Ca 0.14 1.75 -0.07 0.00 0.02 0.00 0.00 54.13 55.97 2qjm s LEU 232 Cb -0.07 -4.52 0.01 0.00 0.02 0.00 0.00 46.19 41.63 2qjm s LEU 232 CO 0.89 -1.11 1.45 0.15 0.02 0.00 0.00 176.35 177.75 2qjm h PHE 233 N 0.33 0.89 -1.50 0.29 3.57 0.07 -3.41 116.94 117.18 2qjm h PHE 233 Ca -0.46 -0.32 0.21 0.00 3.53 0.00 0.00 57.97 60.93 2qjm h PHE 233 Cb 1.21 -0.16 -0.21 0.00 2.79 0.00 0.00 35.95 39.58 2qjm h PHE 233 CO 0.60 1.10 0.76 1.67 -2.23 0.00 0.00 178.31 180.21 2qjm s TRP 234 N -4.03 -0.17 -0.25 0.41 -2.14 -1.25 -4.62 118.94 106.88 2qjm s TRP 234 Ca -0.09 0.18 -0.02 0.00 2.66 0.00 0.00 56.10 58.83 2qjm s TRP 234 Cb 0.11 0.50 0.03 0.00 -3.10 0.00 0.00 33.47 31.01 2qjm s TRP 234 CO 0.87 -0.23 -0.06 -1.17 -2.66 0.00 0.00 176.95 173.70 2qjm s LEU 235 N -1.84 3.23 -0.01 -4.66 2.96 0.81 -2.10 118.68 117.07 2qjm s LEU 235 Ca 0.07 -0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 53.04 2qjm s LEU 235 Cb -0.01 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2qjm s LEU 235 CO -0.05 -0.13 0.22 -0.70 -1.32 0.00 0.00 176.35 174.37 2qjm s GLU 236 N 1.32 3.50 -1.43 1.98 2.12 0.40 -1.83 118.70 124.77 2qjm s GLU 236 Ca -0.00 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.10 2qjm s GLU 236 Cb -0.17 -3.10 0.04 0.00 0.26 0.00 0.00 34.13 31.17 2qjm s GLU 236 CO -0.04 0.67 0.10 -0.25 -0.54 0.00 0.00 175.26 175.20 2qjm n ASP 237 N 1.13 0.38 -0.28 -1.70 9.92 0.48 -0.15 116.55 126.32 2qjm n ASP 237 Ca -0.12 -1.13 0.06 0.00 -0.53 0.00 0.00 54.79 53.07 2qjm n ASP 237 Cb 0.53 -1.41 0.28 0.00 -0.64 0.00 0.00 41.12 39.87 2qjm n ASP 237 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qjm s THR 239 N -5.84 0.11 0.24 0.00 -1.32 -1.26 -2.35 115.64 105.21 2qjm s THR 239 Ca -0.11 -0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 59.20 2qjm s THR 239 Cb 0.20 -0.52 -0.14 0.00 -1.51 0.00 0.00 72.50 70.53 2qjm s THR 239 CO 0.79 -0.48 1.18 -2.65 -2.21 0.00 0.00 174.62 171.25 2qjm n PRO 240 N 1.30 1.50 -0.30 7.08 -0.02 -1.26 -4.85 135.00 138.45 2qjm n PRO 240 Ca -0.22 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 2qjm n PRO 240 Cb 0.56 -2.03 0.20 0.00 -0.02 0.00 0.00 33.50 32.21 2qjm n PRO 240 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjm n ALA 241 N 1.08 2.56 -0.29 3.55 0.00 -1.26 -4.62 120.51 121.53 2qjm n ALA 241 Ca 0.12 -1.71 0.09 0.00 0.00 0.00 0.00 53.44 51.93 2qjm n ALA 241 Cb 0.30 -0.56 0.25 0.00 0.00 0.00 0.00 19.45 19.44 2qjm n ALA 241 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qjm h GLU 242 N 1.85 0.48 -4.54 0.00 3.07 -1.95 -2.98 114.58 110.51 2qjm h GLU 242 Ca 0.00 -0.03 -0.72 0.00 -0.50 0.00 0.00 59.36 58.11 2qjm h GLU 242 Cb 1.07 -0.11 -0.21 0.00 -0.84 0.00 0.00 28.75 28.66 2qjm h GLU 242 CO 0.11 0.32 0.06 1.21 -1.40 0.00 0.00 179.01 179.30 2qjm s ASN 243 N -5.31 6.21 0.65 1.42 3.84 -1.26 -4.92 114.94 115.57 2qjm s ASN 243 Ca -0.12 -1.57 0.35 0.00 0.21 0.00 0.00 52.86 51.74 2qjm s ASN 243 Cb 0.23 -2.28 1.94 0.00 -0.55 0.00 0.00 41.25 40.59 2qjm s ASN 243 CO 0.78 -1.04 2.12 1.56 -2.79 0.00 0.00 177.10 177.72 2qjm h GLN 244 N 9.07 0.00 0.00 0.43 4.20 -1.88 -0.21 115.11 126.72 2qjm h GLN 244 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2qjm h GLN 244 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2qjm h GLN 244 CO 1.08 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 179.63 2qjm n GLU 245 N -3.12 0.13 0.21 1.46 1.02 -1.26 -3.20 120.64 115.87 2qjm n GLU 245 Ca -0.02 0.30 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2qjm n GLU 245 Cb 0.26 -1.72 0.72 0.00 -0.02 0.00 0.00 31.44 30.68 2qjm n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qjm h ALA 246 N 2.44 2.00 0.00 0.62 0.00 -1.36 -1.09 119.26 121.87 2qjm h ALA 246 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qjm h ALA 246 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qjm h ALA 246 CO 0.00 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.27 2qjm n PHE 247 N -4.30 0.91 -0.15 0.00 3.01 -1.19 -3.93 117.46 111.81 2qjm n PHE 247 Ca 0.00 0.27 -0.05 0.00 1.01 0.00 0.00 57.45 58.69 2qjm n PHE 247 Cb 0.22 -0.95 0.05 0.00 -0.01 0.00 0.00 39.48 38.79 2qjm n PHE 247 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 2qjm h ARG 248 N 0.00 0.42 -0.67 -1.08 2.43 -1.41 0.55 114.38 114.62 2qjm h ARG 248 Ca 0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2qjm h ARG 248 Cb 0.69 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2qjm h ARG 248 CO 0.00 0.28 0.12 1.25 -1.51 0.00 0.00 179.97 180.11 2qjm h LEU 249 N 0.43 1.05 0.02 3.80 5.85 -1.74 -1.89 115.31 122.82 2qjm h LEU 249 Ca 0.21 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2qjm h LEU 249 Cb 0.15 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2qjm h LEU 249 CO -0.17 1.03 -0.01 0.58 -0.34 0.00 0.00 178.44 179.53 2qjm h VAL 250 N 1.03 1.17 -0.31 1.05 2.07 -1.61 -3.00 116.25 116.66 2qjm h VAL 250 Ca 0.21 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 2qjm h VAL 250 Cb 0.42 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2qjm h VAL 250 CO 0.01 0.15 0.18 -0.09 0.02 0.00 0.00 177.57 177.84 2qjm h ARG 251 N -0.26 0.41 0.00 1.57 9.65 -0.82 -2.31 114.38 122.61 2qjm h ARG 251 Ca -0.00 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 2qjm h ARG 251 Cb 0.25 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2qjm h ARG 251 CO 0.00 0.29 -0.24 0.37 2.80 0.00 0.00 179.97 183.19 2qjm h GLN 252 N 0.42 0.00 -0.01 0.20 4.15 -1.23 -3.33 115.11 115.31 2qjm h GLN 252 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.53 2qjm h GLN 252 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2qjm h GLN 252 CO -0.02 0.24 -0.21 0.72 -1.93 0.00 0.00 178.83 177.62 2qjm n HIS 253 N -3.37 0.00 -3.83 3.99 8.25 -0.89 -5.03 115.22 114.35 2qjm n HIS 253 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2qjm n HIS 253 Cb 0.45 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 2qjm n HIS 253 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qjm s THR 254 N -1.60 0.10 -1.95 1.59 -1.32 -1.10 -4.73 115.64 106.63 2qjm s THR 254 Ca 0.13 -0.79 0.20 0.00 -1.21 0.00 0.00 61.69 60.02 2qjm s THR 254 Cb 0.12 -0.80 0.43 0.00 -1.51 0.00 0.00 72.50 70.74 2qjm s THR 254 CO 0.31 -0.43 1.36 1.33 -2.21 0.00 0.00 174.62 174.98 2qjm n VAL 255 N 0.88 0.68 -2.01 5.08 0.24 -1.26 -4.75 118.33 117.18 2qjm n VAL 255 Ca -0.20 -0.84 -0.42 0.00 -2.04 0.00 0.00 64.34 60.84 2qjm n VAL 255 Cb 0.58 0.79 -0.03 0.00 -1.47 0.00 0.00 33.84 33.71 2qjm n VAL 255 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2qjm s THR 256 N -1.22 2.89 0.37 3.34 2.01 -1.26 -4.93 115.64 116.85 2qjm s THR 256 Ca 0.36 0.62 -0.28 0.00 0.31 0.00 0.00 61.69 62.70 2qjm s THR 256 Cb 0.20 -3.39 -0.11 0.00 0.01 0.00 0.00 72.50 69.21 2qjm s THR 256 CO 0.28 0.04 1.48 -2.65 -0.69 0.00 0.00 174.62 173.07 2qjm n PRO 257 N 4.13 2.62 -4.74 4.92 -0.02 -1.26 -4.85 135.00 135.81 2qjm n PRO 257 Ca 0.13 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.21 2qjm n PRO 257 Cb 0.40 -2.64 -0.12 0.00 -0.02 0.00 0.00 33.50 31.12 2qjm n PRO 257 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qjm s LEU 258 N -1.85 2.81 0.04 2.45 1.43 -1.26 -0.14 118.68 122.17 2qjm s LEU 258 Ca 0.54 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 2qjm s LEU 258 Cb -0.49 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2qjm s LEU 258 CO 0.63 0.31 -0.08 0.00 0.23 0.00 0.00 176.35 177.44 2qjm s ALA 259 N -0.84 0.61 0.05 4.21 0.00 -0.76 -0.22 121.76 124.82 2qjm s ALA 259 Ca 0.13 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.11 2qjm s ALA 259 Cb -0.11 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.11 2qjm s ALA 259 CO 0.03 0.02 0.91 0.54 0.00 0.00 0.00 175.76 177.26 2qjm s VAL 260 N -1.19 0.00 0.00 0.00 0.11 -1.12 -0.39 120.40 117.82 2qjm s VAL 260 Ca -0.07 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 2qjm s VAL 260 Cb -0.09 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 2qjm s VAL 260 CO 0.00 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 2qjm n GLY 261 N -0.33 1.28 0.35 6.54 0.00 -1.26 -0.31 105.19 111.46 2qjm n GLY 261 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2qjm n GLY 261 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2qjm h GLU 262 N 0.00 0.39 -0.01 1.61 4.11 -1.94 -0.65 114.58 118.09 2qjm h GLU 262 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2qjm h GLU 262 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2qjm h GLU 262 CO 0.00 0.26 -0.17 0.44 0.07 0.00 0.00 179.01 179.61 2qjm n ILE 263 N -4.47 0.00 -2.23 -1.06 -5.35 -1.26 -4.73 119.36 100.26 2qjm n ILE 263 Ca 0.09 -0.13 -0.36 0.00 -0.27 0.00 0.00 62.75 62.07 2qjm n ILE 263 Cb 0.36 0.29 -0.00 0.00 -1.74 0.00 0.00 39.64 38.55 2qjm n ILE 263 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2qjm s PHE 264 N -2.39 2.76 0.00 4.28 0.08 -0.25 -4.96 117.98 117.50 2qjm s PHE 264 Ca 0.29 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.87 2qjm s PHE 264 Cb 0.20 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 2qjm s PHE 264 CO 0.47 -1.60 0.00 0.27 -0.10 0.00 0.00 175.22 174.26 2qjm n ASN 265 N -0.85 0.81 -4.00 1.36 0.23 -1.26 -4.18 115.26 107.38 2qjm n ASN 265 Ca 0.09 -0.36 -0.09 0.00 -0.53 0.00 0.00 54.58 53.69 2qjm n ASN 265 Cb 0.49 0.89 -0.08 0.00 -2.08 0.00 0.00 39.78 39.00 2qjm n ASN 265 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2qjm s THR 266 N -1.05 0.14 0.59 5.53 -4.23 -1.26 -4.08 115.64 111.27 2qjm s THR 266 Ca 0.00 -1.53 0.30 0.00 -1.18 0.00 0.00 61.69 59.28 2qjm s THR 266 Cb 0.00 -1.64 0.36 0.00 1.34 0.00 0.00 72.50 72.55 2qjm s THR 266 CO 0.00 -0.62 2.25 -0.29 -0.54 0.00 0.00 174.62 175.43 2qjm h ILE 267 N 2.82 0.52 0.00 2.99 2.10 -1.91 -1.50 117.51 122.53 2qjm h ILE 267 Ca -0.34 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.58 2qjm h ILE 267 Cb 1.19 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 2qjm h ILE 267 CO 0.57 0.00 0.00 0.79 -1.08 0.00 0.00 178.15 178.44 2qjm n TRP 268 N -3.82 0.72 1.12 2.19 7.02 -1.26 -1.33 117.44 122.08 2qjm n TRP 268 Ca -0.03 0.30 0.14 0.00 -1.02 0.00 0.00 57.50 56.88 2qjm n TRP 268 Cb 0.09 -0.98 0.53 0.00 -2.42 0.00 0.00 31.31 28.53 2qjm n TRP 268 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2qjm n ASP 269 N -2.17 0.24 0.00 -0.99 8.00 -0.56 -4.26 116.55 116.80 2qjm n ASP 269 Ca 0.02 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2qjm n ASP 269 Cb 0.19 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2qjm n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qjm n ALA 270 N -1.36 0.40 -0.17 2.24 0.00 -0.70 -4.84 120.51 116.07 2qjm n ALA 270 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.45 2qjm n ALA 270 Cb 0.32 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.84 2qjm n ALA 270 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qjm h GLU 271 N 0.00 0.12 -0.16 0.00 4.11 -1.39 -0.16 114.58 117.10 2qjm h GLU 271 Ca 0.00 -0.01 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 2qjm h GLU 271 Cb 0.33 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2qjm h GLU 271 CO 0.00 0.08 -0.65 -0.44 0.07 0.00 0.00 179.01 178.07 2qjm h ASP 272 N 0.12 0.68 -0.63 3.06 3.32 -1.88 -0.46 116.42 120.64 2qjm h ASP 272 Ca 0.28 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2qjm h ASP 272 Cb 0.42 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2qjm h ASP 272 CO -0.45 1.15 0.36 -0.07 -1.72 0.00 0.00 179.24 178.51 2qjm h LEU 273 N 0.43 0.78 0.06 1.55 3.38 -1.68 -1.52 115.31 118.30 2qjm h LEU 273 Ca -0.01 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qjm h LEU 273 Cb 1.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qjm h LEU 273 CO 0.12 0.62 -0.03 0.40 0.09 0.00 0.00 178.44 179.65 2qjm h ILE 274 N 0.89 0.91 0.00 1.22 2.04 -0.94 -0.41 117.51 121.23 2qjm h ILE 274 Ca 0.23 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.55 2qjm h ILE 274 Cb 0.01 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2qjm h ILE 274 CO -0.04 0.29 -0.12 1.56 0.00 0.00 0.00 178.15 179.84 2qjm h GLN 275 N -0.96 0.00 -0.19 2.37 4.20 -1.08 -0.76 115.11 118.70 2qjm h GLN 275 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qjm h GLN 275 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2qjm h GLN 275 CO 0.01 0.12 0.00 0.09 -0.67 0.00 0.00 178.83 178.38 2qjm n ASN 276 N -3.75 2.01 -3.70 1.46 3.02 -0.58 -4.95 115.26 108.77 2qjm n ASN 276 Ca -0.02 -1.75 -0.23 0.00 -0.03 0.00 0.00 54.58 52.55 2qjm n ASN 276 Cb 0.23 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 2qjm n ASN 276 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qjm n GLN 277 N 0.55 -4.13 0.00 3.52 6.02 -0.29 -4.91 117.38 118.14 2qjm n GLN 277 Ca 0.17 0.59 0.11 0.00 -0.01 0.00 0.00 57.00 57.85 2qjm n GLN 277 Cb 0.39 -5.01 -0.01 0.00 1.02 0.00 0.00 30.24 26.63 2qjm n GLN 277 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2qjm n LEU 278 N -4.22 1.29 -4.11 1.08 4.77 -0.17 -4.96 117.00 110.69 2qjm n LEU 278 Ca -0.27 -0.52 -0.10 0.00 -0.03 0.00 0.00 56.01 55.09 2qjm n LEU 278 Cb 0.67 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 2qjm n LEU 278 CO 0.68 0.28 -0.38 0.27 -1.33 0.00 0.00 177.39 176.91 2qjm s ILE 279 N -2.80 0.51 -0.03 -0.08 -4.36 -1.22 -4.81 121.20 108.42 2qjm s ILE 279 Ca 0.13 -1.59 0.15 0.00 -0.26 0.00 0.00 60.65 59.08 2qjm s ILE 279 Cb 0.17 -1.24 -0.24 0.00 1.25 0.00 0.00 42.46 42.41 2qjm s ILE 279 CO 0.73 -0.73 0.32 0.47 0.24 0.00 0.00 174.94 175.96 2qjm n ASP 280 N 0.53 1.46 -3.80 4.36 8.00 0.70 -4.83 116.55 122.98 2qjm n ASP 280 Ca -0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.20 2qjm n ASP 280 Cb 0.59 1.64 -0.15 0.00 -0.02 0.00 0.00 41.12 43.18 2qjm n ASP 280 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qjm s TYR 281 N -3.02 -0.00 -0.23 1.24 2.02 -0.98 -1.36 117.35 115.02 2qjm s TYR 281 Ca -0.06 0.13 -0.09 0.00 -0.37 0.00 0.00 57.07 56.69 2qjm s TYR 281 Cb 0.09 -0.15 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 2qjm s TYR 281 CO 0.64 -0.07 0.11 -1.50 -1.57 0.00 0.00 175.55 173.16 2qjm s ILE 282 N 0.75 4.90 -2.46 2.71 1.10 0.08 -2.78 121.20 125.49 2qjm s ILE 282 Ca -0.06 0.02 0.25 0.00 -0.51 0.00 0.00 60.65 60.35 2qjm s ILE 282 Cb -0.09 -3.28 0.49 0.00 0.15 0.00 0.00 42.46 39.73 2qjm s ILE 282 CO -0.02 0.36 1.63 0.54 -2.11 0.00 0.00 174.94 175.33 2qjm n ARG 283 N 4.41 1.77 -1.61 3.50 5.12 0.58 -1.44 116.66 128.99 2qjm n ARG 283 Ca -0.16 -1.13 -0.39 0.00 -1.93 0.00 0.00 57.85 54.25 2qjm n ARG 283 Cb 0.52 -1.45 0.04 0.00 -1.16 0.00 0.00 32.46 30.41 2qjm n ARG 283 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qjm n ALA 284 N 0.36 0.13 -2.56 7.54 0.00 -1.20 -2.14 120.51 122.64 2qjm n ALA 284 Ca 0.18 0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 2qjm n ALA 284 Cb 0.37 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.63 2qjm n ALA 284 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qjm s THR 285 N -1.45 2.20 0.33 0.00 -4.23 -1.26 -4.45 115.64 106.79 2qjm s THR 285 Ca 0.71 -2.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2qjm s THR 285 Cb -0.46 -2.71 0.27 0.00 1.34 0.00 0.00 72.50 70.94 2qjm s THR 285 CO 0.51 -0.17 1.99 0.58 -0.54 0.00 0.00 174.62 176.99 2qjm h VAL 286 N 1.98 1.16 0.05 2.29 2.07 -1.91 0.27 116.25 122.16 2qjm h VAL 286 Ca -0.42 -0.32 -0.27 0.00 0.82 0.00 0.00 66.70 66.50 2qjm h VAL 286 Cb 1.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2qjm h VAL 286 CO 0.72 0.17 -1.38 1.62 0.02 0.00 0.00 177.57 178.72 2qjm h VAL 287 N 0.94 1.29 0.01 2.57 3.04 -1.91 0.38 116.25 122.57 2qjm h VAL 287 Ca 0.27 -3.00 -0.21 0.00 -1.01 0.00 0.00 66.70 62.75 2qjm h VAL 287 Cb -0.07 2.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.90 2qjm h VAL 287 CO -0.06 0.80 -0.98 1.23 -1.01 0.00 0.00 177.57 177.55 2qjm h GLY 288 N 2.56 0.03 -4.12 3.17 0.00 -1.81 -3.38 103.07 99.53 2qjm h GLY 288 Ca -0.17 -0.08 -0.59 0.00 0.00 0.00 0.00 47.33 46.49 2qjm h GLY 288 CO 0.13 0.07 -0.52 0.00 0.00 0.00 0.00 176.54 176.22 2qjm n ALA 289 N -2.38 5.25 -1.61 3.60 0.00 0.06 -4.00 120.51 121.44 2qjm n ALA 289 Ca -0.01 -3.97 -0.04 0.00 0.00 0.00 0.00 53.44 49.42 2qjm n ALA 289 Cb 0.91 -0.63 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 2qjm n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjm n GLY 290 N -0.64 0.44 2.42 0.00 0.00 -1.24 -3.93 105.19 102.23 2qjm n GLY 290 Ca 0.45 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2qjm n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjm n GLY 291 N -1.74 -2.36 0.26 -0.02 0.00 0.13 -3.74 105.19 97.72 2qjm n GLY 291 Ca -0.04 -1.58 -0.05 0.00 0.00 0.00 0.00 46.02 44.35 2qjm n GLY 291 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qjm h LEU 292 N 0.00 0.74 -0.48 0.99 -0.00 -1.88 -0.70 115.31 113.99 2qjm h LEU 292 Ca 0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 57.88 57.96 2qjm h LEU 292 Cb 0.00 -0.18 -0.09 0.00 -0.00 0.00 0.00 40.66 40.40 2qjm h LEU 292 CO 0.00 0.53 -0.08 0.74 -0.00 0.00 0.00 178.44 179.63 2qjm h THR 293 N 0.88 0.55 0.14 0.22 2.02 -1.93 -1.28 112.91 113.51 2qjm h THR 293 Ca 0.25 -0.01 -0.31 0.00 0.77 0.00 0.00 66.41 67.11 2qjm h THR 293 Cb -0.07 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2qjm h THR 293 CO -0.07 0.01 -1.54 -0.74 0.37 0.00 0.00 175.52 173.55 2qjm h HIS 294 N 0.03 0.53 -0.26 3.16 -0.00 -1.61 -3.32 115.15 113.69 2qjm h HIS 294 Ca 0.23 -0.39 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 2qjm h HIS 294 Cb 0.36 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2qjm h HIS 294 CO -0.37 1.43 0.10 1.25 -0.00 0.00 0.00 177.93 180.33 2qjm h LEU 295 N 0.08 0.32 -1.16 0.26 5.85 -0.99 -1.53 115.31 118.14 2qjm h LEU 295 Ca -0.25 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2qjm h LEU 295 Cb 2.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.95 2qjm h LEU 295 CO 0.18 0.30 0.39 -0.09 -0.34 0.00 0.00 178.44 178.88 2qjm h ARG 296 N 0.36 0.97 -0.34 1.25 2.43 -1.33 0.31 114.38 118.03 2qjm h ARG 296 Ca 0.09 -0.10 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2qjm h ARG 296 Cb 0.08 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2qjm h ARG 296 CO -0.01 0.71 -0.39 0.00 -1.51 0.00 0.00 179.97 178.77 2qjm h ARG 297 N 0.98 0.81 -0.57 0.20 3.08 -1.40 -0.60 114.38 116.87 2qjm h ARG 297 Ca 0.25 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.81 2qjm h ARG 297 Cb 0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2qjm h ARG 297 CO -0.04 1.05 0.07 0.82 -1.07 0.00 0.00 179.97 180.80 2qjm h ILE 298 N 0.66 1.26 -0.58 2.04 2.04 -1.02 -0.95 117.51 120.97 2qjm h ILE 298 Ca 0.05 -1.03 -0.11 0.00 1.00 0.00 0.00 64.86 64.78 2qjm h ILE 298 Cb 0.95 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2qjm h ILE 298 CO 0.09 0.37 -0.05 0.00 0.00 0.00 0.00 178.15 178.56 2qjm h ALA 299 N 0.99 0.78 -0.57 1.87 0.00 -0.81 -1.63 119.26 119.90 2qjm h ALA 299 Ca 0.17 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2qjm h ALA 299 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qjm h ALA 299 CO 0.02 0.66 0.17 -0.44 0.00 0.00 0.00 179.25 179.66 2qjm h ASP 300 N 0.94 0.83 -0.70 0.00 3.32 -0.82 -0.83 116.42 119.15 2qjm h ASP 300 Ca 0.16 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2qjm h ASP 300 Cb 0.62 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2qjm h ASP 300 CO 0.04 0.82 0.30 0.25 -1.72 0.00 0.00 179.24 178.93 2qjm h LEU 301 N 0.79 0.96 -0.69 1.55 5.85 -1.05 -2.83 115.31 119.89 2qjm h LEU 301 Ca 0.18 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2qjm h LEU 301 Cb 0.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2qjm h LEU 301 CO -0.00 0.85 0.45 0.00 -0.34 0.00 0.00 178.44 179.39 2qjm h ALA 302 N 1.14 0.88 0.00 1.25 0.00 -0.87 -2.66 119.26 119.00 2qjm h ALA 302 Ca 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qjm h ALA 302 Cb 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qjm h ALA 302 CO -0.02 0.32 -0.06 0.66 0.00 0.00 0.00 179.25 180.14 2qjm h SER 303 N 0.94 0.00 0.13 0.00 4.64 -0.91 0.10 113.55 118.45 2qjm h SER 303 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 2qjm h SER 303 Cb -0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2qjm h SER 303 CO -0.05 0.06 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.82 2qjm h LEU 304 N 0.00 0.00 -3.28 5.97 3.38 -1.39 -1.87 115.31 118.12 2qjm h LEU 304 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qjm h LEU 304 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2qjm h LEU 304 CO 0.01 0.08 -0.00 -1.22 0.09 0.00 0.00 178.44 177.39 2qjm n TYR 305 N -4.07 0.98 -1.87 1.13 4.01 -0.50 -4.94 117.16 111.89 2qjm n TYR 305 Ca -0.03 -1.03 -0.16 0.00 -0.16 0.00 0.00 57.90 56.52 2qjm n TYR 305 Cb 0.16 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 38.80 2qjm n TYR 305 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2qjm n GLN 306 N -0.67 -1.62 -2.83 -0.72 6.02 -0.70 -4.94 117.38 111.92 2qjm n GLN 306 Ca 0.24 0.90 -0.39 0.00 -0.01 0.00 0.00 57.00 57.74 2qjm n GLN 306 Cb 0.93 -5.34 -0.06 0.00 1.02 0.00 0.00 30.24 26.78 2qjm n GLN 306 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2qjm s VAL 307 N -2.57 4.19 0.26 5.09 1.01 0.24 -4.96 120.40 123.66 2qjm s VAL 307 Ca 0.00 1.91 0.09 0.00 0.00 0.00 0.00 61.98 63.98 2qjm s VAL 307 Cb 0.00 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2qjm s VAL 307 CO 0.00 0.43 0.05 -0.13 0.00 0.00 0.00 175.10 175.45 2qjm s ARG 308 N -1.37 2.46 0.19 2.72 0.52 -0.46 -3.72 118.95 119.29 2qjm s ARG 308 Ca 0.41 -1.32 -0.25 0.00 -0.52 0.00 0.00 55.73 54.06 2qjm s ARG 308 Cb -0.24 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 32.89 2qjm s ARG 308 CO 0.29 0.37 0.79 0.95 0.02 0.00 0.00 175.30 177.72 2qjm s THR 309 N -2.27 4.37 -0.36 0.02 -4.23 -0.53 -0.74 115.64 111.89 2qjm s THR 309 Ca 0.32 1.68 0.13 0.00 -1.18 0.00 0.00 61.69 62.64 2qjm s THR 309 Cb -0.07 -4.10 0.39 0.00 1.34 0.00 0.00 72.50 70.06 2qjm s THR 309 CO 0.21 0.45 0.92 0.61 -0.54 0.00 0.00 174.62 176.28 2qjm n GLY 310 N 1.40 2.22 3.59 3.99 0.00 -0.52 -0.05 105.19 115.82 2qjm n GLY 310 Ca -0.05 -1.19 -0.59 0.00 0.00 0.00 0.00 46.02 44.20 2qjm n GLY 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjm s HIS 312 N 1.02 2.16 -0.37 0.00 2.46 -0.91 -1.99 115.29 117.65 2qjm s HIS 312 Ca 0.93 1.45 0.11 0.00 0.47 0.00 0.00 55.06 58.02 2qjm s HIS 312 Cb -1.22 -3.71 0.40 0.00 -0.13 0.00 0.00 32.58 27.92 2qjm s HIS 312 CO 0.60 -2.88 1.40 0.41 -2.47 0.00 0.00 174.74 171.80 2qjm n GLY 313 N 0.82 1.60 3.66 1.59 0.00 -1.26 -4.74 105.19 106.86 2qjm n GLY 313 Ca 0.14 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2qjm n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjm s ALA 314 N -0.08 0.90 0.16 4.61 0.00 -1.26 -2.93 121.76 123.16 2qjm s ALA 314 Ca 0.18 -0.75 0.34 0.00 0.00 0.00 0.00 51.96 51.74 2qjm s ALA 314 Cb 0.42 -2.96 1.46 0.00 0.00 0.00 0.00 23.12 22.04 2qjm s ALA 314 CO -0.10 -3.18 2.02 1.79 0.00 0.00 0.00 175.76 176.29 2qjm h THR 315 N -2.22 0.03 0.00 0.00 1.35 -1.90 -2.92 112.91 107.25 2qjm h THR 315 Ca -0.49 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2qjm h THR 315 Cb 1.31 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2qjm h THR 315 CO 0.44 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 174.82 2qjm n ASP 316 N -3.11 0.00 -4.27 5.36 5.75 -1.26 -4.32 116.55 114.70 2qjm n ASP 316 Ca 0.00 -0.96 -0.36 0.00 -0.01 0.00 0.00 54.79 53.46 2qjm n ASP 316 Cb 0.29 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.24 2qjm n ASP 316 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qjm s LEU 317 N -1.26 3.53 1.00 -2.12 1.02 -1.11 -4.69 118.68 115.05 2qjm s LEU 317 Ca 0.07 -0.80 -0.11 0.00 0.02 0.00 0.00 54.13 53.31 2qjm s LEU 317 Cb 0.03 -1.77 0.19 0.00 0.02 0.00 0.00 46.19 44.66 2qjm s LEU 317 CO 0.05 -0.16 1.11 -0.94 0.02 0.00 0.00 176.35 176.43 2qjm s SER 318 N 1.41 2.22 0.60 2.29 1.04 -1.26 -4.73 113.70 115.26 2qjm s SER 318 Ca 0.01 1.97 0.30 0.00 0.48 0.00 0.00 55.95 58.71 2qjm s SER 318 Cb -0.17 -2.49 1.72 0.00 0.10 0.00 0.00 66.02 65.18 2qjm s SER 318 CO -0.01 -3.50 2.12 -0.65 0.98 0.00 0.00 173.24 172.18 2qjm h PRO 319 N -2.14 0.00 -0.57 4.02 0.11 -1.92 -0.03 132.00 131.46 2qjm h PRO 319 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2qjm h PRO 319 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 2qjm h PRO 319 CO 0.44 0.00 0.16 0.28 -0.21 0.00 0.00 178.00 178.67 2qjm h VAL 320 N 0.00 1.24 -0.27 3.15 2.07 -1.92 0.15 116.25 120.68 2qjm h VAL 320 Ca 0.07 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 2qjm h VAL 320 Cb 0.43 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2qjm h VAL 320 CO -0.00 0.32 0.03 0.74 0.02 0.00 0.00 177.57 178.67 2qjm h THR 321 N 0.81 1.24 -0.94 2.57 2.02 -1.34 -1.71 112.91 115.57 2qjm h THR 321 Ca 0.18 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.55 2qjm h THR 321 Cb 0.31 1.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 2qjm h THR 321 CO -0.00 0.27 0.62 -0.03 0.37 0.00 0.00 175.52 176.74 2qjm h MET 322 N 0.26 1.19 -0.00 6.66 -1.53 -1.17 0.68 114.93 121.02 2qjm h MET 322 Ca 0.08 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 2qjm h MET 322 Cb 0.37 -0.27 -0.00 0.00 -0.55 0.00 0.00 31.60 31.15 2qjm h MET 322 CO 0.01 0.79 0.00 0.78 0.14 0.00 0.00 176.91 178.63 2qjm h GLY 323 N 1.23 0.00 0.97 1.39 0.00 -0.47 0.04 103.07 106.22 2qjm h GLY 323 Ca 0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 2qjm h GLY 323 CO -0.09 0.00 0.19 0.00 0.00 0.00 0.00 176.54 176.64 2qjm h ALA 325 N 1.04 1.28 -0.18 0.00 0.00 0.53 -1.11 119.26 120.82 2qjm h ALA 325 Ca 0.16 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2qjm h ALA 325 Cb 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qjm h ALA 325 CO -0.01 0.60 -0.44 -0.07 0.00 0.00 0.00 179.25 179.33 2qjm h LEU 326 N 1.31 0.46 -0.38 0.00 3.38 -0.81 0.25 115.31 119.52 2qjm h LEU 326 Ca 0.38 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2qjm h LEU 326 Cb -0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2qjm h LEU 326 CO -0.10 0.85 0.05 0.45 0.09 0.00 0.00 178.44 179.78 2qjm h HIS 327 N 0.35 0.68 0.25 1.13 3.86 -0.93 0.23 115.15 120.72 2qjm h HIS 327 Ca 0.03 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2qjm h HIS 327 Cb 0.92 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 2qjm h HIS 327 CO 0.03 0.69 -0.22 0.35 0.86 0.00 0.00 177.93 179.64 2qjm h PHE 328 N 0.47 -0.57 -0.49 2.45 3.57 -0.94 -2.49 116.94 118.95 2qjm h PHE 328 Ca 0.11 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.70 2qjm h PHE 328 Cb 0.39 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 2qjm h PHE 328 CO 0.03 -0.32 0.33 -0.44 -2.23 0.00 0.00 178.31 175.68 2qjm h ASP 329 N -0.49 0.24 -0.08 0.41 3.32 -0.30 0.60 116.42 120.13 2qjm h ASP 329 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 2qjm h ASP 329 Cb 0.44 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2qjm h ASP 329 CO -0.03 0.15 -0.38 0.74 -1.72 0.00 0.00 179.24 178.00 2qjm h THR 330 N 0.27 1.29 0.00 0.35 2.02 -0.52 -3.36 112.91 112.97 2qjm h THR 330 Ca 0.23 -1.53 -0.17 0.00 0.77 0.00 0.00 66.41 65.71 2qjm h THR 330 Cb 0.54 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 2qjm h THR 330 CO -0.05 0.49 -1.01 -0.25 0.37 0.00 0.00 175.52 175.07 2qjm h TRP 331 N 0.49 0.00 -1.18 3.16 7.01 -0.95 -0.08 115.95 124.40 2qjm h TRP 331 Ca 0.05 0.00 -0.82 0.00 2.11 0.00 0.00 58.89 60.22 2qjm h TRP 331 Cb 0.88 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2qjm h TRP 331 CO 0.04 1.14 0.79 1.55 -2.79 0.00 0.00 178.44 179.17 2qjm n VAL 332 N -4.49 0.12 -0.19 2.65 3.14 0.11 -4.33 118.33 115.33 2qjm n VAL 332 Ca -0.25 -0.02 -0.07 0.00 -2.96 0.00 0.00 64.34 61.03 2qjm n VAL 332 Cb 0.57 -0.78 0.02 0.00 -1.06 0.00 0.00 33.84 32.60 2qjm n VAL 332 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2qjm h PRO 333 N 5.97 0.77 -1.86 1.45 0.13 -1.91 -3.15 132.00 133.39 2qjm h PRO 333 Ca -0.44 -0.09 -0.37 0.00 -0.87 0.00 0.00 66.00 64.22 2qjm h PRO 333 Cb 1.35 -0.15 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2qjm h PRO 333 CO 0.98 0.60 0.26 0.27 -0.23 0.00 0.00 178.00 179.87 2qjm n ASN 334 N -4.61 6.22 -4.76 1.44 6.94 -1.26 -4.96 115.26 114.28 2qjm n ASN 334 Ca 0.03 -3.01 -0.41 0.00 -0.02 0.00 0.00 54.58 51.17 2qjm n ASN 334 Cb 0.09 -1.21 -0.03 0.00 -2.36 0.00 0.00 39.78 36.27 2qjm n ASN 334 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2qjm s PHE 335 N -1.23 3.35 -0.01 -2.53 5.36 -1.19 -1.46 117.98 120.27 2qjm s PHE 335 Ca 0.49 1.53 -0.05 0.00 -0.96 0.00 0.00 56.93 57.94 2qjm s PHE 335 Cb 0.31 -3.46 -0.02 0.00 -0.34 0.00 0.00 43.02 39.51 2qjm s PHE 335 CO -0.11 -1.18 -0.09 0.41 -1.46 0.00 0.00 175.22 172.78 2qjm n GLY 336 N 1.28 -0.21 3.57 13.12 0.00 0.93 -4.68 105.19 119.19 2qjm n GLY 336 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 2qjm n GLY 336 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qjm s ILE 337 N -1.88 0.00 -0.11 -0.61 2.07 -0.37 -4.90 121.20 115.40 2qjm s ILE 337 Ca -0.08 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 2qjm s ILE 337 Cb 0.01 -1.28 0.02 0.00 0.13 0.00 0.00 42.46 41.34 2qjm s ILE 337 CO 0.12 0.00 -0.15 -1.58 -1.91 0.00 0.00 174.94 171.42 2qjm s GLN 338 N -3.27 2.17 0.32 3.50 2.00 -0.05 -3.13 119.66 121.20 2qjm s GLN 338 Ca 0.06 -0.54 -0.28 0.00 -2.00 0.00 0.00 55.36 52.60 2qjm s GLN 338 Cb -0.01 -1.86 -0.10 0.00 0.80 0.00 0.00 33.01 31.84 2qjm s GLN 338 CO -0.06 -0.07 1.19 -2.00 -0.50 0.00 0.00 175.29 173.85 2qjm s GLU 339 N 1.01 4.42 -0.16 1.67 2.12 -0.84 -2.94 118.70 123.98 2qjm s GLU 339 Ca -0.06 1.96 -0.04 0.00 0.36 0.00 0.00 54.97 57.19 2qjm s GLU 339 Cb -0.15 -3.04 0.05 0.00 0.26 0.00 0.00 34.13 31.26 2qjm s GLU 339 CO -0.02 -0.04 0.06 -0.47 -0.54 0.00 0.00 175.26 174.25 2qjm s TYR 340 N -1.21 0.51 -0.11 5.30 5.04 -1.19 -4.25 117.35 121.44 2qjm s TYR 340 Ca 0.49 -0.44 0.03 0.00 -2.44 0.00 0.00 57.07 54.71 2qjm s TYR 340 Cb -0.34 -0.80 -0.00 0.00 0.35 0.00 0.00 41.96 41.17 2qjm s TYR 340 CO 0.45 -0.50 -0.21 -1.64 -1.34 0.00 0.00 175.55 172.31 2qjm s MET 341 N 2.03 3.13 0.37 4.97 -1.94 -1.15 -4.69 119.30 122.01 2qjm s MET 341 Ca 0.02 -0.83 -0.26 0.00 -1.71 0.00 0.00 55.69 52.90 2qjm s MET 341 Cb -0.16 -2.40 -0.09 0.00 2.01 0.00 0.00 34.83 34.19 2qjm s MET 341 CO -0.08 0.16 1.17 1.03 -0.01 0.00 0.00 175.02 177.29 2qjm s ARG 342 N 0.42 4.20 0.45 2.03 0.52 -1.26 -4.62 118.95 120.69 2qjm s ARG 342 Ca -0.15 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 2qjm s ARG 342 Cb -0.17 -2.81 -0.00 0.00 0.52 0.00 0.00 34.95 32.48 2qjm s ARG 342 CO 0.07 -0.20 0.67 -1.01 0.02 0.00 0.00 175.30 174.85 2qjm s HIS 343 N -1.34 3.24 0.94 -0.53 3.76 -1.26 -4.88 115.29 115.22 2qjm s HIS 343 Ca 0.54 0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 55.58 2qjm s HIS 343 Cb -0.32 -2.31 0.16 0.00 1.11 0.00 0.00 32.58 31.22 2qjm s HIS 343 CO 0.41 -0.35 1.10 0.95 -0.85 0.00 0.00 174.74 176.00 2qjm s THR 344 N -2.56 2.30 0.26 1.30 -4.23 -1.26 -4.85 115.64 106.60 2qjm s THR 344 Ca 0.48 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 2qjm s THR 344 Cb -0.10 -2.64 0.12 0.00 1.34 0.00 0.00 72.50 71.22 2qjm s THR 344 CO 0.38 -0.13 1.76 -0.08 -0.54 0.00 0.00 174.62 176.02 2qjm h GLU 345 N -1.69 0.80 -0.23 3.99 4.81 -1.98 -2.22 114.58 118.06 2qjm h GLU 345 Ca -0.52 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.49 2qjm h GLU 345 Cb 1.31 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2qjm h GLU 345 CO 0.57 0.80 0.12 0.93 -0.73 0.00 0.00 179.01 180.70 2qjm h GLU 346 N 0.75 0.32 -0.61 1.92 3.07 -1.92 -1.75 114.58 116.37 2qjm h GLU 346 Ca 0.15 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2qjm h GLU 346 Cb 0.43 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 2qjm h GLU 346 CO 0.02 0.32 0.36 1.15 -1.40 0.00 0.00 179.01 179.45 2qjm h THR 347 N 0.25 1.03 -0.34 1.13 2.02 -1.40 -1.63 112.91 113.97 2qjm h THR 347 Ca 0.08 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 2qjm h THR 347 Cb 0.09 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 2qjm h THR 347 CO -0.01 0.13 0.13 0.44 0.37 0.00 0.00 175.52 176.58 2qjm h ASP 348 N 0.69 0.42 -0.23 4.18 3.32 -1.09 -1.37 116.42 122.34 2qjm h ASP 348 Ca 0.26 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 2qjm h ASP 348 Cb 0.08 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2qjm h ASP 348 CO -0.13 0.39 -0.55 0.00 -1.72 0.00 0.00 179.24 177.23 2qjm h ALA 349 N 1.68 0.38 -0.30 3.45 0.00 -0.52 -3.12 119.26 120.82 2qjm h ALA 349 Ca 0.12 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2qjm h ALA 349 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qjm h ALA 349 CO -0.01 0.59 -0.15 0.28 0.00 0.00 0.00 179.25 179.96 2qjm h VAL 350 N 0.52 1.24 -2.53 0.00 2.07 -0.95 -3.34 116.25 113.26 2qjm h VAL 350 Ca -0.00 -1.09 -0.65 0.00 0.82 0.00 0.00 66.70 65.78 2qjm h VAL 350 Cb 1.16 1.17 -0.39 0.00 -1.52 0.00 0.00 31.29 31.72 2qjm h VAL 350 CO 0.12 0.36 -0.32 0.49 0.02 0.00 0.00 177.57 178.24 2qjm n PHE 351 N -4.18 3.45 -1.70 1.57 3.72 -0.55 -0.37 117.46 119.40 2qjm n PHE 351 Ca 0.00 -3.93 -0.44 0.00 -0.05 0.00 0.00 57.45 53.04 2qjm n PHE 351 Cb 0.34 -0.74 -0.03 0.00 -0.94 0.00 0.00 39.48 38.12 2qjm n PHE 351 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2qjm n PRO 352 N 1.20 2.32 -4.17 -1.08 -0.04 -1.19 -4.70 135.00 127.34 2qjm n PRO 352 Ca 0.27 0.83 -0.11 0.00 -0.04 0.00 0.00 63.50 64.45 2qjm n PRO 352 Cb 0.39 -2.56 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 2qjm n PRO 352 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2qjm s HIS 353 N 0.29 0.93 -1.85 0.54 -3.43 -1.26 -1.30 115.29 109.22 2qjm s HIS 353 Ca 0.70 -1.13 0.18 0.00 -0.80 0.00 0.00 55.06 54.01 2qjm s HIS 353 Cb -0.60 -0.54 0.36 0.00 -1.43 0.00 0.00 32.58 30.37 2qjm s HIS 353 CO 0.45 -0.39 1.28 -0.40 -2.00 0.00 0.00 174.74 173.69 2qjm n ASP 354 N -0.11 3.12 -4.89 7.38 3.85 -0.87 -4.98 116.55 120.06 2qjm n ASP 354 Ca -0.07 -1.90 -0.30 0.00 -0.71 0.00 0.00 54.79 51.80 2qjm n ASP 354 Cb 0.63 -0.23 -0.04 0.00 -1.35 0.00 0.00 41.12 40.13 2qjm n ASP 354 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 2qjm s TYR 355 N -1.22 3.46 0.10 2.11 -0.85 -1.26 -3.54 117.35 116.14 2qjm s TYR 355 Ca 0.31 0.76 -0.06 0.00 -0.52 0.00 0.00 57.07 57.56 2qjm s TYR 355 Cb 0.18 -2.18 -0.02 0.00 0.38 0.00 0.00 41.96 40.32 2qjm s TYR 355 CO 0.25 0.20 0.14 1.67 -1.52 0.00 0.00 175.55 176.29 2qjm s TRP 356 N -1.98 0.39 -0.10 -3.49 -2.14 -0.27 -4.95 118.94 106.40 2qjm s TRP 356 Ca 0.46 -0.83 -0.03 0.00 2.66 0.00 0.00 56.10 58.35 2qjm s TRP 356 Cb -0.11 -0.20 -0.03 0.00 -3.10 0.00 0.00 33.47 30.03 2qjm s TRP 356 CO 0.26 -0.54 0.01 0.12 -2.66 0.00 0.00 176.95 174.15 2qjm s PHE 357 N -3.92 3.19 -0.26 1.66 5.36 -1.26 -0.37 117.98 122.38 2qjm s PHE 357 Ca 0.11 0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 56.16 2qjm s PHE 357 Cb 0.06 -1.84 0.12 0.00 -0.34 0.00 0.00 43.02 41.01 2qjm s PHE 357 CO -0.07 0.42 0.55 -2.00 -1.46 0.00 0.00 175.22 172.66 2qjm s GLU 358 N -0.66 0.48 -1.23 10.12 2.12 0.11 -4.97 118.70 124.65 2qjm s GLU 358 Ca 0.11 1.23 -0.13 0.00 0.36 0.00 0.00 54.97 56.54 2qjm s GLU 358 Cb -0.12 0.60 -0.01 0.00 0.26 0.00 0.00 34.13 34.87 2qjm s GLU 358 CO 0.02 -0.27 0.67 1.17 -0.54 0.00 0.00 175.26 176.32 2qjm n LYS 359 N 5.42 -2.21 -1.07 4.30 4.81 -1.26 -1.91 118.16 126.23 2qjm n LYS 359 Ca -0.10 0.46 -0.02 0.00 -0.87 0.00 0.00 58.31 57.78 2qjm n LYS 359 Cb 0.49 -4.34 -0.01 0.00 0.02 0.00 0.00 35.03 31.19 2qjm n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qjm n GLY 360 N -1.76 0.53 3.10 3.14 0.00 -1.21 -4.79 105.19 104.20 2qjm n GLY 360 Ca -0.18 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 2qjm n GLY 360 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qjm s GLU 361 N -1.34 0.63 0.14 1.61 2.02 -0.81 -3.10 118.70 117.86 2qjm s GLU 361 Ca 0.00 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.15 2qjm s GLU 361 Cb 0.00 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.83 2qjm s GLU 361 CO 0.00 0.06 0.05 -0.51 0.02 0.00 0.00 175.26 174.88 2qjm s LEU 362 N -1.87 3.56 -0.00 1.80 1.43 -0.27 0.06 118.68 123.39 2qjm s LEU 362 Ca -0.05 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2qjm s LEU 362 Cb -0.07 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2qjm s LEU 362 CO -0.00 0.11 -0.00 -0.36 0.23 0.00 0.00 176.35 176.33 2qjm s PHE 363 N -1.62 0.04 0.10 0.29 0.08 0.50 -0.76 117.98 116.61 2qjm s PHE 363 Ca 0.28 0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.33 2qjm s PHE 363 Cb -0.10 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 2qjm s PHE 363 CO 0.20 -0.01 0.27 0.54 -0.10 0.00 0.00 175.22 176.13 2qjm s VAL 364 N 0.12 5.31 0.00 -0.44 0.11 -1.26 -1.11 120.40 123.13 2qjm s VAL 364 Ca -0.01 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 2qjm s VAL 364 Cb -0.02 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 2qjm s VAL 364 CO -0.00 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 2qjm n GLY 365 N 0.06 0.98 1.23 6.54 0.00 -1.23 -4.94 105.19 107.83 2qjm n GLY 365 Ca -0.05 -1.98 0.12 0.00 0.00 0.00 0.00 46.02 44.11 2qjm n GLY 365 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qjm n GLU 366 N -0.94 2.61 -1.83 1.61 -0.58 -1.26 -4.88 120.64 115.37 2qjm n GLU 366 Ca 0.00 -2.45 -0.42 0.00 -0.42 0.00 0.00 57.16 53.87 2qjm n GLU 366 Cb 0.00 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 2qjm n GLU 366 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2qjm s THR 367 N -1.24 2.47 0.27 2.62 2.01 -1.26 -4.08 115.64 116.43 2qjm s THR 367 Ca 0.43 0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 2qjm s THR 367 Cb 0.24 -3.15 -0.13 0.00 0.01 0.00 0.00 72.50 69.46 2qjm s THR 367 CO 0.32 0.01 1.34 -2.65 -0.69 0.00 0.00 174.62 172.95 2qjm n PRO 368 N 4.51 2.01 0.00 4.92 -0.02 -1.26 -4.08 135.00 141.08 2qjm n PRO 368 Ca 0.15 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2qjm n PRO 368 Cb 0.38 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2qjm n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qjm n GLY 369 N 1.67 -1.66 0.62 -1.23 0.00 -0.78 -4.24 105.19 99.57 2qjm n GLY 369 Ca 0.09 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.24 2qjm n GLY 369 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qjm n HIS 370 N 0.00 0.22 -0.98 1.61 1.44 -1.26 -0.32 115.22 115.92 2qjm n HIS 370 Ca 0.00 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 2qjm n HIS 370 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2qjm n HIS 370 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2qjm n GLY 371 N 1.17 0.50 3.51 -1.39 0.00 -1.26 -4.55 105.19 103.17 2qjm n GLY 371 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 2qjm n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjm s VAL 372 N -2.15 2.90 0.30 1.61 1.01 -1.26 -2.04 120.40 120.77 2qjm s VAL 372 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.30 2qjm s VAL 372 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2qjm s VAL 372 CO 0.00 -0.02 0.40 -0.62 0.00 0.00 0.00 175.10 174.85 2qjm s ASP 373 N -2.51 0.73 -0.04 3.32 -1.08 -0.42 -4.89 116.67 111.79 2qjm s ASP 373 Ca 0.21 -1.41 0.02 0.00 -0.52 0.00 0.00 52.55 50.85 2qjm s ASP 373 Cb -0.09 0.59 0.01 0.00 -1.46 0.00 0.00 42.92 41.97 2qjm s ASP 373 CO 0.12 -1.17 -0.09 -0.51 0.52 0.00 0.00 175.17 174.04 2qjm s ILE 374 N -3.44 0.85 -0.74 4.11 2.07 -1.26 -3.16 121.20 119.63 2qjm s ILE 374 Ca 0.32 -0.37 -0.20 0.00 -1.41 0.00 0.00 60.65 58.99 2qjm s ILE 374 Cb 0.01 -0.77 0.11 0.00 0.13 0.00 0.00 42.46 41.94 2qjm s ILE 374 CO 0.18 0.27 0.94 -0.62 -1.91 0.00 0.00 174.94 173.80 2qjm s ASP 375 N 0.37 6.35 0.17 4.50 -1.08 0.50 -4.92 116.67 122.57 2qjm s ASP 375 Ca -0.07 -1.54 -0.14 0.00 -0.52 0.00 0.00 52.55 50.28 2qjm s ASP 375 Cb -0.11 -2.37 0.10 0.00 -1.46 0.00 0.00 42.92 39.08 2qjm s ASP 375 CO 0.01 -1.19 1.80 -0.33 0.52 0.00 0.00 175.17 175.99 2qjm h GLU 376 N 9.13 0.53 -0.32 4.34 5.08 -1.98 0.24 114.58 131.59 2qjm h GLU 376 Ca -0.13 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2qjm h GLU 376 Cb 1.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 2qjm h GLU 376 CO 1.11 0.35 0.14 1.49 -1.00 0.00 0.00 179.01 181.10 2qjm h GLU 377 N 0.54 0.29 -0.61 2.33 4.81 -1.99 -1.38 114.58 118.57 2qjm h GLU 377 Ca 0.20 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.36 2qjm h GLU 377 Cb 0.06 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 2qjm h GLU 377 CO -0.11 0.19 0.17 1.25 -0.73 0.00 0.00 179.01 179.78 2qjm h LEU 378 N 0.30 0.87 -1.01 1.64 5.85 -1.87 -2.89 115.31 118.20 2qjm h LEU 378 Ca 0.14 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 2qjm h LEU 378 Cb 0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2qjm h LEU 378 CO -0.11 0.83 0.22 0.00 -0.34 0.00 0.00 178.44 179.04 2qjm h ALA 379 N 1.29 1.21 0.00 1.25 0.00 0.18 -2.68 119.26 120.51 2qjm h ALA 379 Ca 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qjm h ALA 379 Cb 0.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qjm h ALA 379 CO -0.01 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.80 2qjm h ALA 380 N 1.33 1.53 0.00 0.00 0.00 -1.05 -1.81 119.26 119.26 2qjm h ALA 380 Ca 0.21 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2qjm h ALA 380 Cb 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qjm h ALA 380 CO -0.01 0.01 -0.02 0.87 0.00 0.00 0.00 179.25 180.10 2qjm h LYS 381 N 0.00 0.00 -3.68 0.00 1.79 -1.55 -3.36 116.57 109.77 2qjm h LYS 381 Ca -0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 2qjm h LYS 381 Cb 0.02 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.30 2qjm h LYS 381 CO 0.00 0.02 -0.45 0.71 -1.08 0.00 0.00 179.45 178.65 2qjm s TYR 382 N -3.89 3.39 0.51 -1.35 2.02 -0.68 -5.06 117.35 112.29 2qjm s TYR 382 Ca -0.01 -2.80 -0.20 0.00 -0.37 0.00 0.00 57.07 53.69 2qjm s TYR 382 Cb 0.11 -3.11 -0.07 0.00 -0.40 0.00 0.00 41.96 38.49 2qjm s TYR 382 CO 0.50 -0.84 1.12 -1.25 -1.57 0.00 0.00 175.55 173.51 2qjm s PRO 383 N 0.05 3.53 0.48 -1.71 0.04 -1.26 -0.51 135.00 135.62 2qjm s PRO 383 Ca 0.16 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 2qjm s PRO 383 Cb -0.22 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 32.08 2qjm s PRO 383 CO -0.03 -0.70 0.23 0.98 0.04 0.00 0.00 177.00 177.51 2qjm n TYR 384 N -1.05 -1.66 -3.37 0.56 9.36 -1.26 -4.25 117.16 115.49 2qjm n TYR 384 Ca 0.10 0.52 -0.12 0.00 3.32 0.00 0.00 57.90 61.73 2qjm n TYR 384 Cb 0.51 -1.84 -0.08 0.00 -0.63 0.00 0.00 39.34 37.29 2qjm n TYR 384 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2qjm s LYS 385 N -1.39 0.34 -0.04 2.98 2.20 -1.26 -4.98 119.74 117.59 2qjm s LYS 385 Ca 0.62 0.31 -0.38 0.00 -0.36 0.00 0.00 55.97 56.15 2qjm s LYS 385 Cb -0.54 -0.57 -0.16 0.00 -1.51 0.00 0.00 37.83 35.04 2qjm s LYS 385 CO 0.61 -0.78 1.47 -2.30 -0.36 0.00 0.00 175.35 173.99 2qjm n PRO 386 N 5.35 1.10 -3.71 4.03 -0.02 -1.26 -4.74 135.00 135.75 2qjm n PRO 386 Ca -0.03 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2qjm n PRO 386 Cb 0.49 -2.05 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 2qjm n PRO 386 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qjm s ALA 387 N 1.52 -0.95 0.17 3.55 0.00 -1.26 -4.52 121.76 120.27 2qjm s ALA 387 Ca 0.90 1.35 0.07 0.00 0.00 0.00 0.00 51.96 54.28 2qjm s ALA 387 Cb -1.01 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2qjm s ALA 387 CO 0.54 -0.24 -0.00 0.71 0.00 0.00 0.00 175.76 176.77 2qjm s TYR 388 N 1.11 2.84 0.50 0.00 2.02 -0.65 -4.01 117.35 119.16 2qjm s TYR 388 Ca -0.07 -0.13 -0.15 0.00 -0.37 0.00 0.00 57.07 56.34 2qjm s TYR 388 Cb -0.07 -1.38 -0.07 0.00 -0.40 0.00 0.00 41.96 40.03 2qjm s TYR 388 CO -0.09 0.51 0.94 -0.51 -1.57 0.00 0.00 175.55 174.83 2qjm s LEU 389 N -2.90 3.64 0.77 -1.29 1.43 -1.26 -4.59 118.68 114.48 2qjm s LEU 389 Ca 0.27 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 54.73 2qjm s LEU 389 Cb -0.09 -4.40 0.05 0.00 0.03 0.00 0.00 46.19 41.78 2qjm s LEU 389 CO 0.18 -0.56 1.08 -2.84 0.23 0.00 0.00 176.35 174.44 2qjm s PRO 390 N -4.10 2.29 0.29 1.29 0.02 -1.26 -4.41 135.00 129.12 2qjm s PRO 390 Ca 0.57 1.05 0.11 0.00 0.02 0.00 0.00 61.00 62.76 2qjm s PRO 390 Cb -0.10 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 2qjm s PRO 390 CO 0.33 -1.58 -0.18 0.14 -0.33 0.00 0.00 177.00 175.38 2qjm s VAL 391 N -2.95 2.46 0.01 3.83 -7.23 0.04 -4.78 120.40 111.77 2qjm s VAL 391 Ca 0.61 -2.36 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 2qjm s VAL 391 Cb -0.16 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2qjm s VAL 391 CO 0.56 -0.36 -0.12 0.00 -0.31 0.00 0.00 175.10 174.87 2qjm s ALA 392 N -2.52 0.99 0.04 1.32 0.00 -1.26 -0.79 121.76 119.55 2qjm s ALA 392 Ca 0.31 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2qjm s ALA 392 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2qjm s ALA 392 CO 0.15 0.22 -0.13 1.03 0.00 0.00 0.00 175.76 177.03 2qjm s ARG 393 N -0.55 0.86 0.93 0.00 0.52 -0.20 0.54 118.95 121.05 2qjm s ARG 393 Ca 0.03 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.37 2qjm s ARG 393 Cb -0.06 -0.84 0.15 0.00 0.52 0.00 0.00 34.95 34.72 2qjm s ARG 393 CO 0.00 0.20 1.11 -0.51 0.02 0.00 0.00 175.30 176.12 2qjm s LEU 394 N -1.19 1.93 0.58 2.53 1.43 -0.31 -2.05 118.68 121.60 2qjm s LEU 394 Ca 0.00 1.15 0.37 0.00 -1.03 0.00 0.00 54.13 54.63 2qjm s LEU 394 Cb -0.08 -3.46 2.04 0.00 0.03 0.00 0.00 46.19 44.72 2qjm s LEU 394 CO 0.01 -2.75 2.15 -0.33 0.23 0.00 0.00 176.35 175.66 2qjm h GLU 395 N -1.63 0.00 -0.05 1.70 5.08 -1.90 -0.50 114.58 117.28 2qjm h GLU 395 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2qjm h GLU 395 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2qjm h GLU 395 CO 0.59 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.20 2qjm n ASP 396 N -2.85 2.58 0.00 1.42 5.75 -1.26 -4.95 116.55 117.24 2qjm n ASP 396 Ca -0.02 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 2qjm n ASP 396 Cb 0.10 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2qjm n ASP 396 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qjm n GLY 397 N 1.31 2.55 3.65 6.12 0.00 -0.19 -5.07 105.19 113.56 2qjm n GLY 397 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.68 2qjm n GLY 397 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qjm n THR 398 N -1.31 0.13 -1.77 2.61 -1.04 -1.26 -4.60 114.28 107.04 2qjm n THR 398 Ca 0.00 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2qjm n THR 398 Cb 0.00 -1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 67.14 2qjm n THR 398 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2qjm s MET 399 N 1.62 4.13 0.06 -2.82 -1.94 -1.26 -1.17 119.30 117.92 2qjm s MET 399 Ca 0.85 2.57 0.00 0.00 -1.71 0.00 0.00 55.69 57.41 2qjm s MET 399 Cb -0.81 -3.06 -0.00 0.00 2.01 0.00 0.00 34.83 32.97 2qjm s MET 399 CO 0.46 -0.69 0.02 1.87 -0.01 0.00 0.00 175.02 176.67 2qjm n TRP 400 N 3.17 0.05 -3.32 -0.03 -0.00 0.19 -4.85 117.44 112.63 2qjm n TRP 400 Ca 0.12 -0.34 -0.41 0.00 -0.00 0.00 0.00 57.50 56.86 2qjm n TRP 400 Cb 0.36 -0.01 -0.09 0.00 -0.00 0.00 0.00 31.31 31.58 2qjm n TRP 400 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2qjm s ASN 401 N -1.34 6.23 0.00 5.87 0.01 -1.26 -4.28 114.94 120.17 2qjm s ASN 401 Ca 0.02 -0.24 0.19 0.00 -0.71 0.00 0.00 52.86 52.12 2qjm s ASN 401 Cb 0.00 -2.23 1.12 0.00 0.41 0.00 0.00 41.25 40.56 2qjm s ASN 401 CO 0.02 -0.44 1.52 1.87 -1.51 0.00 0.00 177.10 178.55