#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqi s LYS 22 N 0.00 2.07 -0.50 0.03 2.47 -0.19 -4.92 119.74 118.70 2pqi s LYS 22 Ca 0.00 -0.80 -0.18 0.00 -1.56 0.00 0.00 55.97 53.43 2pqi s LYS 22 Cb 0.00 -1.87 0.06 0.00 -1.46 0.00 0.00 37.83 34.57 2pqi s LYS 22 CO 0.00 0.40 0.57 -0.06 0.16 0.00 0.00 175.35 176.42 2pqi s PHE 23 N -0.29 3.10 0.97 4.03 0.40 -1.26 -1.83 117.98 123.09 2pqi s PHE 23 Ca 0.02 -0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 55.58 2pqi s PHE 23 Cb -0.11 -3.46 0.15 0.00 0.51 0.00 0.00 43.02 40.11 2pqi s PHE 23 CO 0.01 -0.98 0.97 -2.37 0.70 0.00 0.00 175.22 173.55 2pqi n THR 24 N 5.50 0.00 -2.21 0.64 5.66 -0.97 -4.95 114.28 117.95 2pqi n THR 24 Ca -0.08 -0.10 -0.32 0.00 -3.05 0.00 0.00 64.05 60.49 2pqi n THR 24 Cb 0.45 -0.92 -0.01 0.00 -1.55 0.00 0.00 70.33 68.30 2pqi n THR 24 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2pqi s GLU 25 N -4.39 3.62 0.47 1.09 -1.05 -1.26 -4.66 118.70 112.52 2pqi s GLU 25 Ca 0.65 1.08 -0.24 0.00 -0.15 0.00 0.00 54.97 56.31 2pqi s GLU 25 Cb -0.23 -2.08 -0.08 0.00 -0.44 0.00 0.00 34.13 31.30 2pqi s GLU 25 CO 0.61 -0.55 1.31 -0.89 0.95 0.00 0.00 175.26 176.69 2pqi n ILE 26 N -1.83 3.01 -3.89 1.83 5.41 -1.26 -4.67 119.36 117.95 2pqi n ILE 26 Ca 0.08 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 62.98 2pqi n ILE 26 Cb 0.53 -1.62 -0.13 0.00 -0.71 0.00 0.00 39.64 37.71 2pqi n ILE 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2pqi s PHE 27 N -1.24 3.32 -1.12 1.39 5.99 -0.78 -5.04 117.98 120.51 2pqi s PHE 27 Ca 0.65 -1.98 -0.22 0.00 0.00 0.00 0.00 56.93 55.38 2pqi s PHE 27 Cb -0.47 -2.28 0.01 0.00 0.00 0.00 0.00 43.02 40.28 2pqi s PHE 27 CO 0.55 -0.83 1.75 -2.14 -0.00 0.00 0.00 175.22 174.55 2pqi s PRO 28 N 1.23 3.25 0.17 10.12 0.02 -1.26 -1.63 135.00 146.89 2pqi s PRO 28 Ca -0.03 -1.22 -0.23 0.00 0.02 0.00 0.00 61.00 59.54 2pqi s PRO 28 Cb -0.20 -5.33 0.06 0.00 0.02 0.00 0.00 34.50 29.06 2pqi s PRO 28 CO -0.02 -2.86 1.59 0.28 -0.33 0.00 0.00 177.00 175.66 2pqi h VAL 29 N 6.39 0.21 0.00 3.83 2.07 -1.48 -2.30 116.25 124.97 2pqi h VAL 29 Ca 0.26 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.70 2pqi h VAL 29 Cb 0.95 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2pqi h VAL 29 CO 1.35 0.00 -0.37 -0.33 0.02 0.00 0.00 177.57 178.24 2pqi h GLU 30 N -0.24 0.00 -5.79 1.57 5.08 -1.89 -3.42 114.58 109.89 2pqi h GLU 30 Ca 0.18 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.16 2pqi h GLU 30 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2pqi h GLU 30 CO -0.56 0.37 1.02 0.34 -1.00 0.00 0.00 179.01 179.18 2pqi s ASP 31 N -6.76 5.05 0.00 1.42 -1.08 -0.87 -4.84 116.67 109.59 2pqi s ASP 31 Ca -0.02 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.97 2pqi s ASP 31 Cb 0.14 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 2pqi s ASP 31 CO 0.71 -2.68 0.87 0.00 0.52 0.00 0.00 175.17 174.58 2pqi n ALA 32 N 13.96 0.97 0.20 3.66 0.00 -1.26 -1.25 120.51 136.79 2pqi n ALA 32 Ca 0.32 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.86 2pqi n ALA 32 Cb 0.50 -0.90 0.17 0.00 0.00 0.00 0.00 19.45 19.22 2pqi n ALA 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2pqi h ASN 33 N 0.00 0.00 -3.21 0.00 2.35 -1.93 -3.41 115.58 109.39 2pqi h ASN 33 Ca 0.00 0.00 -0.75 0.00 -0.55 0.00 0.00 56.30 55.00 2pqi h ASN 33 Cb 0.09 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 38.20 2pqi h ASN 33 CO 0.00 0.13 -0.23 -0.47 -1.65 0.00 0.00 177.43 175.20 2pqi s TYR 34 N -3.19 3.33 0.67 1.19 6.14 -0.38 -5.07 117.35 120.06 2pqi s TYR 34 Ca 0.06 -1.50 -0.16 0.00 0.64 0.00 0.00 57.07 56.11 2pqi s TYR 34 Cb 0.06 -3.73 0.01 0.00 0.42 0.00 0.00 41.96 38.72 2pqi s TYR 34 CO 0.68 -1.01 1.15 -1.25 0.64 0.00 0.00 175.55 175.76 2pqi s PRO 35 N 1.41 2.59 0.24 4.97 0.05 -1.26 -4.95 135.00 138.05 2pqi s PRO 35 Ca 0.05 1.57 -0.05 0.00 0.05 0.00 0.00 61.00 62.62 2pqi s PRO 35 Cb -0.27 -1.91 0.27 0.00 0.05 0.00 0.00 34.50 32.64 2pqi s PRO 35 CO 0.01 -1.45 1.82 -0.92 0.05 0.00 0.00 177.00 176.51 2pqi h TYR 36 N 0.04 1.09 -0.78 0.56 3.20 -1.97 -3.02 116.97 116.08 2pqi h TYR 36 Ca -0.48 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.35 2pqi h TYR 36 Cb 1.27 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 2pqi h TYR 36 CO 0.51 0.83 0.50 0.66 -1.64 0.00 0.00 178.16 179.02 2pqi h SER 37 N 1.05 0.83 0.34 -2.11 4.64 -1.92 -1.33 113.55 115.05 2pqi h SER 37 Ca 0.24 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.52 2pqi h SER 37 Cb 0.20 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2pqi h SER 37 CO -0.02 0.57 -0.19 0.00 -0.87 0.00 0.00 176.83 176.32 2pqi h ALA 38 N 1.33 1.40 0.03 5.18 0.00 -1.92 0.17 119.26 125.45 2pqi h ALA 38 Ca 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2pqi h ALA 38 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pqi h ALA 38 CO -0.11 0.24 -0.02 0.35 0.00 0.00 0.00 179.25 179.71 2pqi h PHE 39 N 0.00 -0.04 0.02 0.00 3.57 -1.36 -2.32 116.94 116.82 2pqi h PHE 39 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2pqi h PHE 39 Cb 0.41 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 2pqi h PHE 39 CO 0.00 0.62 -0.18 0.82 -2.23 0.00 0.00 178.31 177.34 2pqi h ILE 40 N -0.77 0.57 -0.89 1.41 1.08 -0.88 0.05 117.51 118.09 2pqi h ILE 40 Ca -0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 2pqi h ILE 40 Cb 0.68 0.57 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 2pqi h ILE 40 CO 0.01 0.00 0.57 0.00 -0.69 0.00 0.00 178.15 178.04 2pqi h ALA 41 N 0.59 1.18 0.37 1.87 0.00 -0.79 -0.02 119.26 122.45 2pqi h ALA 41 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2pqi h ALA 41 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pqi h ALA 41 CO -0.15 0.42 -0.18 1.03 0.00 0.00 0.00 179.25 180.37 2pqi h SER 42 N 1.11 -0.42 0.21 0.00 0.87 -0.86 -1.99 113.55 112.47 2pqi h SER 42 Ca 0.36 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 2pqi h SER 42 Cb 0.02 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2pqi h SER 42 CO -0.12 -0.26 -0.13 0.58 -0.53 0.00 0.00 176.83 176.36 2pqi h VAL 43 N -0.53 0.87 -0.15 2.23 2.07 -0.70 -1.88 116.25 118.16 2pqi h VAL 43 Ca -0.05 -0.49 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 2pqi h VAL 43 Cb 0.40 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2pqi h VAL 43 CO 0.08 0.13 -0.64 0.03 0.02 0.00 0.00 177.57 177.19 2pqi h ARG 44 N 0.00 0.54 -0.79 1.57 3.08 -0.80 -2.45 114.38 115.53 2pqi h ARG 44 Ca -0.00 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 2pqi h ARG 44 Cb 0.27 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2pqi h ARG 44 CO 0.02 1.01 0.49 0.87 -1.07 0.00 0.00 179.97 181.28 2pqi h LYS 45 N 0.40 1.06 -0.30 0.04 1.57 -0.58 0.11 116.57 118.88 2pqi h LYS 45 Ca -0.01 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2pqi h LYS 45 Cb 1.21 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2pqi h LYS 45 CO 0.12 0.74 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.16 2pqi h ASP 46 N 1.08 0.63 0.03 0.86 3.45 -1.36 -3.08 116.42 118.04 2pqi h ASP 46 Ca 0.29 -0.41 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 2pqi h ASP 46 Cb -0.06 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.53 2pqi h ASP 46 CO -0.06 0.90 -0.02 0.58 -1.57 0.00 0.00 179.24 179.08 2pqi h VAL 47 N 0.37 1.18 -0.49 -1.35 2.07 -1.09 -3.01 116.25 113.93 2pqi h VAL 47 Ca 0.07 -0.69 0.14 0.00 0.82 0.00 0.00 66.70 67.04 2pqi h VAL 47 Cb 0.66 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2pqi h VAL 47 CO 0.04 0.17 0.47 0.40 0.02 0.00 0.00 177.57 178.68 2pqi h ILE 48 N -0.34 0.43 0.00 4.57 2.04 -0.84 0.33 117.51 123.70 2pqi h ILE 48 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2pqi h ILE 48 Cb 0.32 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2pqi h ILE 48 CO 0.01 0.00 0.00 0.11 0.00 0.00 0.00 178.15 178.27 2pqi h LYS 49 N 0.00 0.00 -0.25 2.37 1.57 -1.43 -0.25 116.57 118.57 2pqi h LYS 49 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2pqi h LYS 49 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2pqi h LYS 49 CO -0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 2pqi n HIS 50 N -2.94 0.64 -3.26 -1.35 8.25 0.12 -5.00 115.22 111.69 2pqi n HIS 50 Ca -0.02 -0.73 -0.18 0.00 -0.26 0.00 0.00 57.72 56.53 2pqi n HIS 50 Cb 0.13 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.05 2pqi n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pqi s THR 52 N -2.34 1.86 -0.29 0.00 -4.23 -0.86 -4.94 115.64 104.85 2pqi s THR 52 Ca 0.51 -2.24 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 2pqi s THR 52 Cb -0.08 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 2pqi s THR 52 CO 0.31 -0.54 0.17 -0.62 -0.54 0.00 0.00 174.62 173.40 2pqi s ASP 53 N -3.36 5.82 -0.11 3.99 3.68 -1.26 -1.91 116.67 123.52 2pqi s ASP 53 Ca 0.24 -0.16 -0.09 0.00 2.13 0.00 0.00 52.55 54.68 2pqi s ASP 53 Cb -0.01 -2.08 -0.04 0.00 -1.45 0.00 0.00 42.92 39.34 2pqi s ASP 53 CO 0.09 -0.09 0.19 -1.00 0.13 0.00 0.00 175.17 174.48 2pqi s HIS 54 N 1.71 3.60 0.17 -5.34 3.76 -1.26 -5.05 115.29 112.88 2pqi s HIS 54 Ca 0.07 0.59 -0.31 0.00 -0.15 0.00 0.00 55.06 55.26 2pqi s HIS 54 Cb -0.16 -2.02 -0.10 0.00 1.11 0.00 0.00 32.58 31.41 2pqi s HIS 54 CO 0.09 0.68 1.51 0.21 -0.85 0.00 0.00 174.74 176.38 2pqi s LYS 55 N -0.90 4.25 0.00 1.40 2.20 -1.26 -2.31 119.74 123.12 2pqi s LYS 55 Ca 0.16 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 2pqi s LYS 55 Cb -0.13 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 2pqi s LYS 55 CO 0.05 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 2pqi n GLY 56 N 3.45 0.76 3.12 5.54 0.00 -1.26 -4.89 105.19 111.91 2pqi n GLY 56 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2pqi n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqi s ILE 57 N -2.76 1.99 0.06 -0.61 1.01 -0.98 -4.12 121.20 115.79 2pqi s ILE 57 Ca 0.00 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 2pqi s ILE 57 Cb 0.00 -1.80 -0.17 0.00 0.01 0.00 0.00 42.46 40.50 2pqi s ILE 57 CO 0.00 0.53 1.54 -0.26 0.00 0.00 0.00 174.94 176.75 2pqi h PHE 58 N 7.78 -0.38 -4.10 3.97 -1.00 -1.95 -3.43 116.94 117.83 2pqi h PHE 58 Ca -0.41 -0.01 -0.47 0.00 2.81 0.00 0.00 57.97 59.88 2pqi h PHE 58 Cb 1.15 0.13 0.03 0.00 3.61 0.00 0.00 35.95 40.87 2pqi h PHE 58 CO 0.47 -0.16 0.38 -0.65 -1.61 0.00 0.00 178.31 176.74 2pqi s GLN 59 N -5.63 3.73 -0.02 1.51 1.11 -1.26 -5.01 119.66 114.08 2pqi s GLN 59 Ca -0.15 1.31 -0.30 0.00 0.01 0.00 0.00 55.36 56.23 2pqi s GLN 59 Cb 0.04 -2.09 -0.04 0.00 -1.01 0.00 0.00 33.01 29.91 2pqi s GLN 59 CO 0.62 -0.48 1.28 -2.14 0.01 0.00 0.00 175.29 174.57 2pqi s PRO 60 N -3.41 4.33 0.06 2.91 0.02 -1.26 -4.74 135.00 132.91 2pqi s PRO 60 Ca 0.66 1.80 -0.27 0.00 0.02 0.00 0.00 61.00 63.21 2pqi s PRO 60 Cb -0.16 -3.54 -0.05 0.00 0.02 0.00 0.00 34.50 30.76 2pqi s PRO 60 CO 0.23 -0.48 0.84 0.08 -0.33 0.00 0.00 177.00 177.34 2pqi s VAL 61 N 2.19 4.68 0.69 3.83 1.01 -0.80 -3.20 120.40 128.79 2pqi s VAL 61 Ca 0.59 1.80 -0.11 0.00 0.00 0.00 0.00 61.98 64.26 2pqi s VAL 61 Cb -0.28 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2pqi s VAL 61 CO 0.24 0.33 1.06 -0.76 0.00 0.00 0.00 175.10 175.97 2pqi s LEU 62 N 0.07 3.16 0.46 3.92 1.43 -0.23 -2.03 118.68 125.47 2pqi s LEU 62 Ca 0.42 1.63 -0.22 0.00 -1.03 0.00 0.00 54.13 54.93 2pqi s LEU 62 Cb -0.21 -4.50 -0.10 0.00 0.03 0.00 0.00 46.19 41.41 2pqi s LEU 62 CO 0.25 -1.42 0.83 -2.65 0.23 0.00 0.00 176.35 173.59 2pqi n PRO 63 N -3.04 0.99 -2.21 1.29 -0.02 -1.26 -4.20 135.00 126.55 2pqi n PRO 63 Ca 0.08 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 2pqi n PRO 63 Cb 0.53 -1.87 -0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2pqi n PRO 63 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pqi s PRO 64 N -2.00 3.68 0.64 0.52 0.04 -1.26 -4.55 135.00 132.08 2pqi s PRO 64 Ca 0.65 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.34 2pqi s PRO 64 Cb -0.54 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.60 2pqi s PRO 64 CO 0.56 -0.63 1.27 -2.00 0.04 0.00 0.00 177.00 176.24 2pqi s GLU 65 N -2.73 2.62 0.03 4.56 2.12 -1.26 -4.93 118.70 119.11 2pqi s GLU 65 Ca 0.65 2.01 -0.02 0.00 0.36 0.00 0.00 54.97 57.96 2pqi s GLU 65 Cb -0.30 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 2pqi s GLU 65 CO 0.36 -1.53 0.01 0.15 -0.54 0.00 0.00 175.26 173.71 2pqi s LYS 66 N -3.39 0.47 0.09 4.30 1.02 -1.26 -5.04 119.74 115.93 2pqi s LYS 66 Ca 0.81 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 55.75 2pqi s LYS 66 Cb -0.36 0.17 -0.14 0.00 -0.52 0.00 0.00 37.83 36.98 2pqi s LYS 66 CO 0.38 -0.09 1.73 -0.22 -0.92 0.00 0.00 175.35 176.23 2pqi h LYS 67 N 3.96 -0.06 -4.61 1.68 3.64 -2.07 -3.35 116.57 115.76 2pqi h LYS 67 Ca -0.33 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.36 2pqi h LYS 67 Cb 1.18 0.01 -0.29 0.00 -0.41 0.00 0.00 32.23 32.73 2pqi h LYS 67 CO 0.51 -0.04 -0.57 0.08 -2.27 0.00 0.00 179.45 177.15 2pqi s VAL 68 N -6.18 3.84 0.34 2.00 1.01 -1.26 -5.08 120.40 115.07 2pqi s VAL 68 Ca -0.13 -1.26 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 2pqi s VAL 68 Cb 0.06 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.08 2pqi s VAL 68 CO 0.66 -0.29 1.53 -2.16 0.00 0.00 0.00 175.10 174.84 2pqi s PRO 69 N 1.39 4.12 -0.06 2.72 0.04 -1.26 -4.95 135.00 137.00 2pqi s PRO 69 Ca 0.00 2.56 0.15 0.00 0.04 0.00 0.00 61.00 63.75 2pqi s PRO 69 Cb -0.21 -3.00 -0.22 0.00 0.04 0.00 0.00 34.50 31.12 2pqi s PRO 69 CO 0.02 -0.57 0.25 -0.85 0.04 0.00 0.00 177.00 175.90 2pqi n GLU 70 N 1.25 0.82 -4.35 4.56 0.28 -1.26 -4.94 120.64 117.00 2pqi n GLU 70 Ca 0.04 -0.10 -0.34 0.00 -0.16 0.00 0.00 57.16 56.60 2pqi n GLU 70 Cb 0.38 -1.37 -0.12 0.00 1.43 0.00 0.00 31.44 31.77 2pqi n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pqi s LEU 71 N -4.35 3.34 0.05 -1.84 1.43 -1.26 -4.39 118.68 111.65 2pqi s LEU 71 Ca -0.06 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2pqi s LEU 71 Cb 0.08 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 2pqi s LEU 71 CO 0.62 0.17 -0.14 0.26 0.23 0.00 0.00 176.35 177.50 2pqi s TRP 72 N 0.34 1.22 -0.23 0.29 0.52 -1.26 -2.16 118.94 117.66 2pqi s TRP 72 Ca -0.03 -0.37 -0.05 0.00 0.02 0.00 0.00 56.10 55.67 2pqi s TRP 72 Cb -0.14 -0.72 -0.01 0.00 -1.15 0.00 0.00 33.47 31.45 2pqi s TRP 72 CO 0.03 0.04 -0.01 -1.17 0.02 0.00 0.00 176.95 175.85 2pqi s LEU 73 N -1.26 3.05 -0.41 2.99 2.96 0.26 -1.02 118.68 125.26 2pqi s LEU 73 Ca 0.01 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2pqi s LEU 73 Cb -0.08 -1.79 0.11 0.00 0.50 0.00 0.00 46.19 44.92 2pqi s LEU 73 CO 0.01 -0.02 0.21 -0.31 -1.32 0.00 0.00 176.35 174.92 2pqi s TYR 74 N 1.49 3.55 -0.31 5.38 1.51 -0.76 -0.37 117.35 127.84 2pqi s TYR 74 Ca 0.06 -2.30 -0.09 0.00 -1.01 0.00 0.00 57.07 53.73 2pqi s TYR 74 Cb -0.14 -3.18 -0.00 0.00 -0.11 0.00 0.00 41.96 38.52 2pqi s TYR 74 CO -0.01 -0.96 0.13 0.95 -1.11 0.00 0.00 175.55 174.55 2pqi s THR 75 N 1.18 4.42 -0.12 -0.71 -4.23 -0.56 -2.28 115.64 113.33 2pqi s THR 75 Ca 0.07 -0.50 -0.19 0.00 -1.18 0.00 0.00 61.69 59.88 2pqi s THR 75 Cb -0.23 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.31 2pqi s THR 75 CO -0.03 0.07 0.54 -0.70 -0.54 0.00 0.00 174.62 173.95 2pqi s GLU 76 N 1.58 4.33 -0.22 3.99 2.12 -1.26 -0.46 118.70 128.77 2pqi s GLU 76 Ca 0.04 0.54 -0.03 0.00 0.36 0.00 0.00 54.97 55.88 2pqi s GLU 76 Cb -0.17 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.76 2pqi s GLU 76 CO 0.05 0.07 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.27 2pqi s LEU 77 N 0.88 2.88 -0.06 2.70 1.43 -0.40 -1.86 118.68 124.26 2pqi s LEU 77 Ca 0.28 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2pqi s LEU 77 Cb -0.16 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2pqi s LEU 77 CO 0.12 -0.05 -0.15 -1.59 0.23 0.00 0.00 176.35 174.91 2pqi s LYS 78 N 1.42 1.79 0.00 1.70 -2.85 -0.65 -1.63 119.74 119.52 2pqi s LYS 78 Ca 0.04 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 2pqi s LYS 78 Cb -0.15 -1.50 0.00 0.00 -2.06 0.00 0.00 37.83 34.12 2pqi s LYS 78 CO -0.05 0.14 0.00 0.25 0.10 0.00 0.00 175.35 175.80 2pqi n THR 79 N 3.45 0.00 0.63 3.79 -2.24 0.30 -1.19 114.28 119.01 2pqi n THR 79 Ca -0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.70 2pqi n THR 79 Cb 0.53 -0.66 0.11 0.00 -2.10 0.00 0.00 70.33 68.20 2pqi n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pqi n ARG 80 N 0.00 0.25 -0.00 -0.78 1.74 -1.26 -4.47 116.66 112.14 2pqi n ARG 80 Ca 0.00 0.03 -0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2pqi n ARG 80 Cb 0.00 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.81 2pqi n ARG 80 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pqi n THR 81 N -1.96 0.04 -3.52 0.55 -2.24 -1.26 -5.11 114.28 100.77 2pqi n THR 81 Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2pqi n THR 81 Cb 0.42 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2pqi n THR 81 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pqi n SER 82 N -1.96 0.00 -3.64 3.42 2.88 -1.26 -5.16 113.62 107.91 2pqi n SER 82 Ca -0.01 -0.94 -0.03 0.00 -1.33 0.00 0.00 58.87 56.56 2pqi n SER 82 Cb 0.45 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 2pqi n SER 82 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2pqi s SER 83 N -0.85 -0.18 0.07 -3.46 1.04 -1.26 -0.54 113.70 108.52 2pqi s SER 83 Ca 0.00 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.18 2pqi s SER 83 Cb 0.00 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 2pqi s SER 83 CO 0.00 -0.57 0.13 0.27 0.98 0.00 0.00 173.24 174.05 2pqi s ILE 84 N -2.88 0.16 -0.14 -1.02 -4.36 -0.65 -3.67 121.20 108.64 2pqi s ILE 84 Ca 0.11 -1.28 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 2pqi s ILE 84 Cb 0.00 -1.30 0.01 0.00 1.25 0.00 0.00 42.46 42.42 2pqi s ILE 84 CO -0.03 -0.71 -0.20 -0.89 0.24 0.00 0.00 174.94 173.35 2pqi s THR 85 N -3.64 2.25 0.08 8.37 2.01 -0.69 -1.28 115.64 122.75 2pqi s THR 85 Ca 0.04 -0.92 -0.22 0.00 0.31 0.00 0.00 61.69 60.90 2pqi s THR 85 Cb 0.04 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.58 2pqi s THR 85 CO -0.10 0.54 0.66 -0.76 -0.69 0.00 0.00 174.62 174.27 2pqi s LEU 86 N 0.75 4.52 -0.70 4.42 1.43 0.39 -0.35 118.68 129.14 2pqi s LEU 86 Ca -0.08 1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 54.36 2pqi s LEU 86 Cb -0.16 -3.06 0.18 0.00 0.03 0.00 0.00 46.19 43.18 2pqi s LEU 86 CO -0.00 0.20 0.54 0.00 0.23 0.00 0.00 176.35 177.32 2pqi s ALA 87 N -0.84 3.77 -0.21 4.21 0.00 -0.25 -1.50 121.76 126.94 2pqi s ALA 87 Ca 0.32 -3.38 -0.09 0.00 0.00 0.00 0.00 51.96 48.81 2pqi s ALA 87 Cb -0.20 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2pqi s ALA 87 CO 0.21 -2.14 0.12 0.42 0.00 0.00 0.00 175.76 174.37 2pqi s ILE 88 N -0.28 5.21 -0.25 0.00 1.01 0.50 -1.67 121.20 125.73 2pqi s ILE 88 Ca 0.19 0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.71 2pqi s ILE 88 Cb -0.17 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 2pqi s ILE 88 CO -0.06 0.42 0.86 0.00 0.00 0.00 0.00 174.94 176.16 2pqi s ARG 89 N 0.59 4.18 0.27 2.79 1.70 -1.05 0.92 118.95 128.36 2pqi s ARG 89 Ca 0.07 0.97 -0.04 0.00 -0.47 0.00 0.00 55.73 56.26 2pqi s ARG 89 Cb -0.12 -3.65 0.36 0.00 -0.57 0.00 0.00 34.95 30.97 2pqi s ARG 89 CO 0.01 -0.55 1.93 0.52 -1.08 0.00 0.00 175.30 176.13 2pqi h MET 90 N 7.69 1.20 0.00 3.89 2.86 -1.77 0.12 114.93 128.92 2pqi h MET 90 Ca -0.23 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2pqi h MET 90 Cb 1.09 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2pqi h MET 90 CO 0.89 0.80 0.00 -0.40 1.06 0.00 0.00 176.91 179.26 2pqi n ASP 91 N -4.41 0.56 -1.05 1.22 5.75 -1.26 -1.80 116.55 115.55 2pqi n ASP 91 Ca 0.12 0.65 0.00 0.00 -0.01 0.00 0.00 54.79 55.55 2pqi n ASP 91 Cb 0.06 -0.76 -0.01 0.00 -1.03 0.00 0.00 41.12 39.38 2pqi n ASP 91 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2pqi n ASN 92 N -2.13 0.24 -3.97 -1.12 0.23 -1.15 -4.54 115.26 102.82 2pqi n ASN 92 Ca 0.02 -1.89 -0.29 0.00 -0.53 0.00 0.00 54.58 51.89 2pqi n ASN 92 Cb 0.20 -0.12 -0.00 0.00 -2.08 0.00 0.00 39.78 37.78 2pqi n ASN 92 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pqi n LEU 93 N 0.22 -2.34 -3.97 -4.53 4.77 0.38 -4.90 117.00 106.63 2pqi n LEU 93 Ca -0.03 -0.91 -0.28 0.00 -0.03 0.00 0.00 56.01 54.76 2pqi n LEU 93 Cb 0.88 -2.36 -0.17 0.00 -2.33 0.00 0.00 43.42 39.44 2pqi n LEU 93 CO -0.05 0.40 -0.47 -0.47 -1.33 0.00 0.00 177.39 175.48 2pqi s TYR 94 N -3.56 1.79 0.02 -1.77 5.04 -1.06 -4.79 117.35 113.03 2pqi s TYR 94 Ca 0.37 -0.93 -0.30 0.00 -2.44 0.00 0.00 57.07 53.77 2pqi s TYR 94 Cb -0.20 -1.38 -0.07 0.00 0.35 0.00 0.00 41.96 40.66 2pqi s TYR 94 CO 0.87 -0.55 1.68 -1.17 -1.34 0.00 0.00 175.55 175.04 2pqi s LEU 95 N 1.48 4.36 -0.23 6.97 2.96 -1.26 -2.53 118.68 130.42 2pqi s LEU 95 Ca 0.02 2.41 0.03 0.00 -0.22 0.00 0.00 54.13 56.37 2pqi s LEU 95 Cb -0.13 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.82 2pqi s LEU 95 CO -0.08 -0.91 -0.10 0.52 -1.32 0.00 0.00 176.35 174.46 2pqi n VAL 96 N 5.08 1.52 -3.50 1.68 0.31 -0.67 -4.91 118.33 117.85 2pqi n VAL 96 Ca 0.17 -0.61 -0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2pqi n VAL 96 Cb 0.41 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2pqi n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pqi n GLY 97 N 2.16 1.20 3.29 2.92 0.00 -1.22 -1.30 105.19 112.24 2pqi n GLY 97 Ca -0.42 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2pqi n GLY 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqi s PHE 98 N -5.43 -0.21 -0.11 1.61 -0.12 -0.49 -1.09 117.98 112.13 2pqi s PHE 98 Ca 0.03 0.20 -0.03 0.00 -0.05 0.00 0.00 56.93 57.08 2pqi s PHE 98 Cb -0.00 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2pqi s PHE 98 CO 0.01 -0.50 0.00 0.50 -0.05 0.00 0.00 175.22 175.18 2pqi s ARG 99 N -2.12 3.24 0.46 1.99 3.52 0.53 -1.09 118.95 125.48 2pqi s ARG 99 Ca -0.08 -0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.09 2pqi s ARG 99 Cb -0.02 -2.88 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 2pqi s ARG 99 CO -0.00 0.57 0.71 0.95 -0.81 0.00 0.00 175.30 176.71 2pqi s THR 100 N -0.50 4.20 0.43 4.11 -4.23 -0.34 -1.70 115.64 117.61 2pqi s THR 100 Ca 0.09 -0.33 0.15 0.00 -1.18 0.00 0.00 61.69 60.42 2pqi s THR 100 Cb -0.12 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.49 2pqi s THR 100 CO 0.02 -0.45 1.95 -0.65 -0.54 0.00 0.00 174.62 174.95 2pqi h PRO 101 N 0.33 0.39 0.00 3.99 0.11 -1.76 0.46 132.00 135.52 2pqi h PRO 101 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pqi h PRO 101 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2pqi h PRO 101 CO 0.59 0.26 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2pqi n GLY 102 N -1.52 -0.66 1.99 -0.55 0.00 -1.26 -4.84 105.19 98.35 2pqi n GLY 102 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2pqi n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqi n GLY 103 N 0.26 0.41 3.67 -0.02 0.00 0.16 -5.03 105.19 104.64 2pqi n GLY 103 Ca 0.10 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2pqi n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqi s VAL 104 N -2.00 5.23 -0.13 1.61 1.01 -1.24 -4.83 120.40 120.05 2pqi s VAL 104 Ca 0.00 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 2pqi s VAL 104 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2pqi s VAL 104 CO 0.00 0.28 0.37 0.26 0.00 0.00 0.00 175.10 176.01 2pqi s TRP 105 N 1.20 3.50 -0.10 5.22 0.52 -1.26 -1.20 118.94 126.82 2pqi s TRP 105 Ca 0.17 0.74 0.02 0.00 0.02 0.00 0.00 56.10 57.06 2pqi s TRP 105 Cb -0.14 -2.42 -0.01 0.00 -1.15 0.00 0.00 33.47 29.75 2pqi s TRP 105 CO 0.07 0.24 -0.18 -1.58 0.02 0.00 0.00 176.95 175.53 2pqi s TRP 106 N 0.40 2.68 -0.02 -1.98 0.52 -0.25 -0.93 118.94 119.36 2pqi s TRP 106 Ca 0.21 -0.71 0.07 0.00 0.02 0.00 0.00 56.10 55.69 2pqi s TRP 106 Cb -0.14 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.41 2pqi s TRP 106 CO 0.07 -0.23 -0.24 -2.00 0.02 0.00 0.00 176.95 174.58 2pqi s GLU 107 N 0.16 1.99 0.32 4.98 2.12 0.15 -1.40 118.70 127.01 2pqi s GLU 107 Ca -0.10 -0.85 -0.29 0.00 0.36 0.00 0.00 54.97 54.09 2pqi s GLU 107 Cb -0.16 -1.89 -0.11 0.00 0.26 0.00 0.00 34.13 32.23 2pqi s GLU 107 CO 0.06 0.49 1.57 -0.06 -0.54 0.00 0.00 175.26 176.78 2pqi s PHE 108 N -0.50 2.70 -2.36 5.30 2.99 -0.42 -0.73 117.98 124.96 2pqi s PHE 108 Ca 0.08 0.87 0.00 0.00 0.00 0.00 0.00 56.93 57.87 2pqi s PHE 108 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 43.02 38.85 2pqi s PHE 108 CO -0.00 -3.48 0.00 0.41 -0.00 0.00 0.00 175.22 172.15 2pqi n GLY 109 N 1.73 0.74 3.83 4.36 0.00 0.24 -4.84 105.19 111.26 2pqi n GLY 109 Ca 0.06 -2.10 -0.07 0.00 0.00 0.00 0.00 46.02 43.91 2pqi n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pqi s LYS 110 N -0.95 1.77 -0.36 1.61 -2.85 -1.26 -1.37 119.74 116.34 2pqi s LYS 110 Ca 0.00 -1.01 -0.42 0.00 -1.00 0.00 0.00 55.97 53.54 2pqi s LYS 110 Cb 0.00 0.60 -0.17 0.00 -2.06 0.00 0.00 37.83 36.20 2pqi s LYS 110 CO 0.00 -0.80 1.72 -0.25 0.10 0.00 0.00 175.35 176.12 2pqi n ASP 111 N -0.45 1.99 0.00 0.03 10.43 -1.26 -0.96 116.55 126.33 2pqi n ASP 111 Ca -0.04 1.09 0.00 0.00 2.57 0.00 0.00 54.79 58.41 2pqi n ASP 111 Cb 0.59 -1.06 0.00 0.00 1.84 0.00 0.00 41.12 42.50 2pqi n ASP 111 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pqi n GLY 112 N 4.27 2.12 3.92 0.44 0.00 -1.26 -5.09 105.19 109.60 2pqi n GLY 112 Ca 0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 2pqi n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pqi s ASP 113 N -1.71 4.35 -0.17 1.61 -0.00 -0.13 -5.05 116.67 115.57 2pqi s ASP 113 Ca 0.00 0.48 -0.12 0.00 -0.00 0.00 0.00 52.55 52.91 2pqi s ASP 113 Cb 0.00 -0.94 -0.05 0.00 -0.00 0.00 0.00 42.92 41.93 2pqi s ASP 113 CO 0.00 -1.94 0.21 -0.89 -0.00 0.00 0.00 175.17 172.55 2pqi s THR 114 N -3.48 5.36 0.12 -1.27 2.01 -1.26 -4.99 115.64 112.12 2pqi s THR 114 Ca 0.64 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 2pqi s THR 114 Cb -0.09 -3.55 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2pqi s THR 114 CO 0.48 0.43 1.08 -1.00 -0.69 0.00 0.00 174.62 174.92 2pqi s HIS 115 N 0.31 3.60 -0.12 4.92 3.76 -1.26 -4.90 115.29 121.60 2pqi s HIS 115 Ca 0.13 1.57 0.17 0.00 -0.15 0.00 0.00 55.06 56.78 2pqi s HIS 115 Cb -0.12 -3.25 -0.20 0.00 1.11 0.00 0.00 32.58 30.11 2pqi s HIS 115 CO 0.01 -0.55 0.56 1.28 -0.85 0.00 0.00 174.74 175.19 2pqi n LEU 116 N 3.01 0.55 -4.87 0.89 4.77 -1.26 -4.92 117.00 115.17 2pqi n LEU 116 Ca 0.05 0.25 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 2pqi n LEU 116 Cb 0.47 0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2pqi n LEU 116 CO 0.54 0.27 0.17 -0.76 -1.33 0.00 0.00 177.39 176.27 2pqi s LEU 117 N -5.63 4.25 0.00 2.23 1.43 -1.26 -5.01 118.68 114.69 2pqi s LEU 117 Ca -0.06 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 2pqi s LEU 117 Cb 0.08 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2pqi s LEU 117 CO 0.83 0.03 0.00 0.61 0.23 0.00 0.00 176.35 178.05 2pqi n GLY 118 N 0.29 2.21 2.52 -3.19 0.00 -1.26 -4.60 105.19 101.17 2pqi n GLY 118 Ca -0.03 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 2pqi n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqi n ASP 119 N -2.70 -4.10 -3.37 1.61 8.00 -1.26 -4.18 116.55 110.55 2pqi n ASP 119 Ca 0.00 -0.27 -0.14 0.00 0.71 0.00 0.00 54.79 55.09 2pqi n ASP 119 Cb 0.00 -2.73 0.02 0.00 -0.02 0.00 0.00 41.12 38.39 2pqi n ASP 119 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pqi n ASN 120 N -0.77 -6.50 -4.84 -2.24 5.03 -1.26 -4.76 115.26 99.92 2pqi n ASN 120 Ca 0.00 -0.56 -0.29 0.00 0.87 0.00 0.00 54.58 54.59 2pqi n ASN 120 Cb 0.53 -4.19 0.09 0.00 -1.02 0.00 0.00 39.78 35.19 2pqi n ASN 120 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2pqi s PRO 121 N -4.29 1.98 0.04 3.52 0.04 -1.26 -4.65 135.00 130.38 2pqi s PRO 121 Ca 0.19 0.38 0.07 0.00 0.04 0.00 0.00 61.00 61.68 2pqi s PRO 121 Cb -0.05 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2pqi s PRO 121 CO 0.80 -1.64 -0.19 1.03 0.04 0.00 0.00 177.00 177.04 2pqi s ARG 122 N -5.33 1.27 0.36 4.56 0.52 -0.10 -4.99 118.95 115.23 2pqi s ARG 122 Ca 0.61 -0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 54.69 2pqi s ARG 122 Cb -0.13 -1.36 -0.10 0.00 0.52 0.00 0.00 34.95 33.88 2pqi s ARG 122 CO 0.52 0.34 0.92 -1.58 0.02 0.00 0.00 175.30 175.53 2pqi s TRP 123 N -0.82 3.53 -0.67 -0.53 0.52 -1.26 0.33 118.94 120.03 2pqi s TRP 123 Ca 0.06 1.66 0.25 0.00 0.02 0.00 0.00 56.10 58.09 2pqi s TRP 123 Cb -0.09 -2.85 0.61 0.00 -1.15 0.00 0.00 33.47 29.99 2pqi s TRP 123 CO 0.02 0.09 1.61 -0.07 0.02 0.00 0.00 176.95 178.62 2pqi h LEU 124 N 2.66 0.00 0.00 2.99 3.38 -1.01 -3.39 115.31 119.94 2pqi h LEU 124 Ca -0.48 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pqi h LEU 124 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2pqi h LEU 124 CO 0.63 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.81 2pqi n GLY 125 N 1.30 0.65 3.52 0.83 0.00 -0.47 -3.08 105.19 107.94 2pqi n GLY 125 Ca 0.05 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2pqi n GLY 125 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqi s PHE 126 N -2.00 -0.50 0.90 1.61 -0.12 -0.71 -4.89 117.98 112.27 2pqi s PHE 126 Ca 0.00 0.72 -0.14 0.00 -0.05 0.00 0.00 56.93 57.46 2pqi s PHE 126 Cb 0.00 0.46 0.14 0.00 -0.63 0.00 0.00 43.02 42.99 2pqi s PHE 126 CO 0.00 -0.54 1.22 0.20 -0.05 0.00 0.00 175.22 176.05 2pqi s GLY 127 N -1.55 1.65 -0.57 1.99 0.00 -1.26 -0.59 107.32 106.99 2pqi s GLY 127 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.89 2pqi s GLY 127 CO 0.01 -0.21 1.22 0.61 0.00 0.00 0.00 173.10 174.73 2pqi n GLY 128 N -3.14 5.85 3.74 0.20 0.00 -1.26 -4.52 105.19 106.05 2pqi n GLY 128 Ca 0.10 -2.73 -0.23 0.00 0.00 0.00 0.00 46.02 43.16 2pqi n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqi s ARG 129 N -3.64 2.34 0.41 1.61 0.52 -1.26 -4.94 118.95 113.99 2pqi s ARG 129 Ca 0.48 -1.62 0.29 0.00 -0.52 0.00 0.00 55.73 54.36 2pqi s ARG 129 Cb 0.36 -2.14 1.32 0.00 0.52 0.00 0.00 34.95 35.00 2pqi s ARG 129 CO -0.20 0.03 1.87 1.88 0.02 0.00 0.00 175.30 178.90 2pqi h TYR 130 N 1.48 0.00 0.33 -0.53 0.05 -1.95 -0.48 116.97 115.87 2pqi h TYR 130 Ca -0.43 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.33 2pqi h TYR 130 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.00 2pqi h TYR 130 CO 0.62 0.00 -0.17 1.96 -1.05 0.00 0.00 178.16 179.52 2pqi h GLN 131 N 0.00 -0.44 0.00 4.88 7.50 -1.96 -3.16 115.11 121.94 2pqi h GLN 131 Ca 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 2pqi h GLN 131 Cb 0.29 0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.92 2pqi h GLN 131 CO 0.00 -0.29 -0.11 -0.44 -1.50 0.00 0.00 178.83 176.49 2pqi h ASP 132 N -0.45 0.00 0.29 1.46 3.32 -1.59 0.20 116.42 119.64 2pqi h ASP 132 Ca -0.04 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.68 2pqi h ASP 132 Cb 0.35 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 2pqi h ASP 132 CO 0.07 0.11 -1.95 0.18 -1.72 0.00 0.00 179.24 175.93 2pqi n LEU 133 N -3.39 1.28 0.00 1.55 4.77 -0.28 -4.68 117.00 116.24 2pqi n LEU 133 Ca -0.01 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2pqi n LEU 133 Cb 0.28 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2pqi n LEU 133 CO 0.29 0.55 0.23 2.30 -1.33 0.00 0.00 177.39 179.43 2pqi n ILE 134 N -3.11 0.00 -1.88 -0.08 -5.35 -1.20 -4.60 119.36 103.14 2pqi n ILE 134 Ca -0.25 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2pqi n ILE 134 Cb 1.07 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 40.06 2pqi n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pqi n GLY 135 N -0.00 1.82 1.04 3.28 0.00 0.69 -2.66 105.19 109.35 2pqi n GLY 135 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.60 2pqi n GLY 135 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pqi n ASN 136 N 4.54 3.02 -4.74 1.61 0.23 -1.26 -4.23 115.26 114.42 2pqi n ASN 136 Ca 0.00 -2.02 -0.32 0.00 -0.53 0.00 0.00 54.58 51.71 2pqi n ASN 136 Cb 0.00 -0.38 0.10 0.00 -2.08 0.00 0.00 39.78 37.42 2pqi n ASN 136 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2pqi s LYS 137 N -1.29 2.11 0.32 -3.83 1.02 -1.09 -5.02 119.74 111.96 2pqi s LYS 137 Ca 0.37 1.36 -0.09 0.00 0.02 0.00 0.00 55.97 57.63 2pqi s LYS 137 Cb 0.20 -1.87 -0.07 0.00 -0.52 0.00 0.00 37.83 35.57 2pqi s LYS 137 CO 0.25 -1.78 0.65 0.20 -0.92 0.00 0.00 175.35 173.75 2pqi s GLY 138 N -2.91 2.06 0.62 -3.33 0.00 -1.26 -4.96 107.32 97.54 2pqi s GLY 138 Ca 0.65 -0.28 0.41 0.00 0.00 0.00 0.00 44.72 45.50 2pqi s GLY 138 CO 0.52 -0.12 2.26 1.41 0.00 0.00 0.00 173.10 177.16 2pqi h LEU 139 N 1.83 0.00 -2.27 0.66 4.07 -1.93 -1.01 115.31 116.65 2pqi h LEU 139 Ca -0.47 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.48 2pqi h LEU 139 Cb 1.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.92 2pqi h LEU 139 CO 0.66 0.00 -0.05 1.05 -1.08 0.00 0.00 178.44 179.02 2pqi h GLU 140 N 0.00 0.00 0.00 1.13 9.09 -1.83 -2.28 114.58 120.69 2pqi h GLU 140 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2pqi h GLU 140 Cb 0.08 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 2pqi h GLU 140 CO 0.00 0.05 -0.05 1.79 0.05 0.00 0.00 179.01 180.84 2pqi h THR 141 N 0.00 0.11 -3.10 -1.06 1.35 -1.50 -3.42 112.91 105.29 2pqi h THR 141 Ca -0.00 -0.86 -0.58 0.00 -0.55 0.00 0.00 66.41 64.42 2pqi h THR 141 Cb 0.20 1.78 -0.06 0.00 -1.73 0.00 0.00 68.15 68.34 2pqi h THR 141 CO 0.01 0.05 0.79 -0.69 -0.25 0.00 0.00 175.52 175.43 2pqi s VAL 142 N -3.45 4.67 0.03 6.82 1.01 -0.86 -5.02 120.40 123.61 2pqi s VAL 142 Ca 0.04 1.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 2pqi s VAL 142 Cb 0.07 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2pqi s VAL 142 CO 0.61 -0.20 0.60 -0.89 0.00 0.00 0.00 175.10 175.23 2pqi s THR 143 N 3.22 4.83 0.27 3.92 2.01 -1.26 -4.61 115.64 124.01 2pqi s THR 143 Ca 0.44 1.27 0.02 0.00 0.31 0.00 0.00 61.69 63.73 2pqi s THR 143 Cb -0.15 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2pqi s THR 143 CO 0.07 0.47 0.08 0.23 -0.69 0.00 0.00 174.62 174.77 2pqi n MET 144 N 2.35 0.80 0.00 4.92 2.81 0.33 -4.90 117.12 123.43 2pqi n MET 144 Ca -0.08 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.61 2pqi n MET 144 Cb 0.51 1.09 0.00 0.00 -0.71 0.00 0.00 33.22 34.11 2pqi n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pqi n GLY 145 N 0.49 2.92 0.31 3.03 0.00 -1.26 -1.61 105.19 109.07 2pqi n GLY 145 Ca -0.05 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.09 2pqi n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pqi h ARG 146 N 0.00 0.27 -0.04 1.61 2.43 -1.55 0.40 114.38 117.49 2pqi h ARG 146 Ca 0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2pqi h ARG 146 Cb 0.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 2pqi h ARG 146 CO 0.00 0.18 -0.02 0.00 -1.51 0.00 0.00 179.97 178.62 2pqi h ALA 147 N 1.75 0.06 -0.42 2.80 0.00 -1.90 -0.32 119.26 121.24 2pqi h ALA 147 Ca 0.56 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.30 2pqi h ALA 147 Cb 1.11 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 2pqi h ALA 147 CO -0.61 -0.21 0.12 0.93 0.00 0.00 0.00 179.25 179.49 2pqi h GLU 148 N -0.30 0.27 -0.84 0.00 4.39 -1.53 0.16 114.58 116.73 2pqi h GLU 148 Ca 0.01 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.71 2pqi h GLU 148 Cb 0.44 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2pqi h GLU 148 CO 0.01 0.18 0.55 1.98 -1.16 0.00 0.00 179.01 180.57 2pqi h MET 149 N 0.27 1.09 -0.13 2.33 4.05 -0.18 0.15 114.93 122.52 2pqi h MET 149 Ca 0.20 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2pqi h MET 149 Cb 0.21 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2pqi h MET 149 CO -0.22 0.72 0.03 1.15 0.23 0.00 0.00 176.91 178.81 2pqi h THR 150 N 1.12 1.21 -0.55 -0.77 2.02 -0.22 -1.65 112.91 114.07 2pqi h THR 150 Ca 0.31 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2pqi h THR 150 Cb -0.10 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2pqi h THR 150 CO -0.08 0.19 0.32 0.03 0.37 0.00 0.00 175.52 176.36 2pqi h ARG 151 N -0.00 0.75 -0.24 6.66 3.08 -0.37 -2.21 114.38 122.04 2pqi h ARG 151 Ca 0.04 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2pqi h ARG 151 Cb 0.27 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2pqi h ARG 151 CO 0.00 0.55 0.15 0.00 -1.07 0.00 0.00 179.97 179.60 2pqi h ALA 152 N 1.15 0.30 0.17 0.04 0.00 -0.59 -1.67 119.26 118.67 2pqi h ALA 152 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2pqi h ALA 152 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pqi h ALA 152 CO -0.04 -0.24 -0.08 0.28 0.00 0.00 0.00 179.25 179.17 2pqi h VAL 153 N 0.30 0.83 -0.97 0.00 2.07 -1.19 0.73 116.25 118.01 2pqi h VAL 153 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 2pqi h VAL 153 Cb -0.01 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2pqi h VAL 153 CO -0.04 0.00 0.64 0.78 0.02 0.00 0.00 177.57 178.97 2pqi h ASN 154 N -0.23 1.08 -0.06 0.57 -0.26 -1.32 0.32 115.58 115.67 2pqi h ASN 154 Ca -0.02 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2pqi h ASN 154 Cb 0.18 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 2pqi h ASN 154 CO 0.04 0.75 -0.05 0.44 -1.06 0.00 0.00 177.43 177.54 2pqi h ASP 155 N 1.26 0.15 0.24 5.81 3.32 -1.13 -3.04 116.42 123.03 2pqi h ASP 155 Ca 0.38 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 2pqi h ASP 155 Cb -0.04 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2pqi h ASP 155 CO -0.11 0.59 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.83 2pqi h LEU 156 N -0.28 0.00 -1.00 1.55 3.38 -0.57 -2.05 115.31 116.33 2pqi h LEU 156 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2pqi h LEU 156 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2pqi h LEU 156 CO 0.01 0.10 -0.37 0.00 0.09 0.00 0.00 178.44 178.26 2pqi h ALA 157 N 1.90 1.04 -0.91 1.53 0.00 -0.83 -3.12 119.26 118.87 2pqi h ALA 157 Ca -0.00 -0.34 -0.48 0.00 0.00 0.00 0.00 54.91 54.09 2pqi h ALA 157 Cb 0.24 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 17.69 2pqi h ALA 157 CO 0.01 0.47 0.61 1.63 0.00 0.00 0.00 179.25 181.97 2pqi n LYS 158 N -3.59 2.17 -3.14 0.00 5.02 -0.77 -4.38 118.16 113.46 2pqi n LYS 158 Ca -0.00 -2.76 -0.40 0.00 -2.02 0.00 0.00 58.31 53.12 2pqi n LYS 158 Cb 0.49 -2.08 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 2pqi n LYS 158 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqi s LYS 159 N -3.04 4.16 0.00 1.97 2.20 -1.18 -4.90 119.74 118.95 2pqi s LYS 159 Ca 0.52 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2pqi s LYS 159 Cb 0.44 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2pqi s LYS 159 CO 0.09 -0.30 0.00 1.63 -0.36 0.00 0.00 175.35 176.41 2pqi n LYS 160 N 5.29 3.41 -4.05 4.03 4.76 -1.26 -5.04 118.16 125.31 2pqi n LYS 160 Ca -0.02 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 2pqi n LYS 160 Cb 0.49 -0.27 -0.03 0.00 -1.84 0.00 0.00 35.03 33.38 2pqi n LYS 160 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2pqi s LYS 161 N -0.51 3.16 -1.21 1.97 1.02 -1.26 -5.04 119.74 117.87 2pqi s LYS 161 Ca 0.00 -0.90 -0.08 0.00 0.02 0.00 0.00 55.97 55.01 2pqi s LYS 161 Cb 0.00 -2.72 0.21 0.00 -0.52 0.00 0.00 37.83 34.80 2pqi s LYS 161 CO 0.00 0.43 1.70 -0.12 -0.92 0.00 0.00 175.35 176.44 2pqi n MET 162 N -1.16 3.86 -2.98 1.68 0.00 -1.26 -4.44 117.12 112.83 2pqi n MET 162 Ca -0.08 -3.89 -0.13 0.00 -0.00 0.00 0.00 57.70 53.60 2pqi n MET 162 Cb 0.57 -2.80 -0.01 0.00 0.00 0.00 0.00 33.22 30.98 2pqi n MET 162 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 2pqi n LEU 165 N 3.19 -0.58 0.01 -0.89 -0.00 -1.18 -4.70 117.00 112.85 2pqi n LEU 165 Ca 0.35 0.01 -0.02 0.00 -0.00 0.00 0.00 56.01 56.35 2pqi n LEU 165 Cb 0.36 -1.47 -0.01 0.00 -0.00 0.00 0.00 43.42 42.30 2pqi n LEU 165 CO 0.77 0.02 -0.40 -1.84 -0.00 0.00 0.00 177.39 175.94 2pqi n GLU 166 N -3.02 0.05 0.00 1.47 0.28 -1.26 -4.62 120.64 113.54 2pqi n GLU 166 Ca -0.01 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2pqi n GLU 166 Cb 0.52 -0.58 0.00 0.00 1.43 0.00 0.00 31.44 32.80 2pqi n GLU 166 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2pqi n PRO 190 N -3.27 0.00 -3.82 3.44 -0.04 -1.26 -4.96 135.00 125.09 2pqi n PRO 190 Ca -0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.41 2pqi n PRO 190 Cb 0.36 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 2pqi n PRO 190 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2pqi s GLN 191 N 0.00 1.02 -0.98 0.54 1.11 -1.26 -5.10 119.66 114.99 2pqi s GLN 191 Ca 0.00 -0.63 -0.03 0.00 0.01 0.00 0.00 55.36 54.71 2pqi s GLN 191 Cb 0.00 0.31 0.27 0.00 -1.01 0.00 0.00 33.01 32.58 2pqi s GLN 191 CO 0.00 -0.48 1.11 0.00 0.01 0.00 0.00 175.29 175.93 2pqi n ALA 192 N -0.63 4.43 0.97 6.09 0.00 -1.26 -4.09 120.51 126.02 2pqi n ALA 192 Ca -0.04 -4.71 0.09 0.00 0.00 0.00 0.00 53.44 48.78 2pqi n ALA 192 Cb 0.60 -2.00 0.50 0.00 0.00 0.00 0.00 19.45 18.55 2pqi n ALA 192 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pqi n ASP 193 N 1.84 0.00 0.17 0.00 -0.08 -1.26 -3.44 116.55 113.78 2pqi n ASP 193 Ca 0.25 -0.16 0.08 0.00 -1.51 0.00 0.00 54.79 53.45 2pqi n ASP 193 Cb 0.37 -0.20 0.09 0.00 2.34 0.00 0.00 41.12 43.71 2pqi n ASP 193 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2pqi h THR 194 N 0.00 0.33 -0.24 5.18 1.35 -2.00 -2.30 112.91 115.24 2pqi h THR 194 Ca 0.00 -1.49 -0.20 0.00 -0.55 0.00 0.00 66.41 64.17 2pqi h THR 194 Cb 0.12 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2pqi h THR 194 CO 0.00 0.19 -0.65 0.11 -0.25 0.00 0.00 175.52 174.93 2pqi h LYS 195 N 0.00 0.85 -0.58 4.72 1.57 -1.89 -1.85 116.57 119.40 2pqi h LYS 195 Ca -0.01 -0.60 -0.07 0.00 -1.87 0.00 0.00 60.65 58.09 2pqi h LYS 195 Cb 1.17 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2pqi h LYS 195 CO 0.03 1.22 0.07 1.03 -0.57 0.00 0.00 179.45 181.23 2pqi h SER 196 N 0.62 0.91 0.63 0.86 0.87 -1.68 -0.79 113.55 114.97 2pqi h SER 196 Ca -0.01 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.19 2pqi h SER 196 Cb 1.26 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 2pqi h SER 196 CO 0.14 0.93 -0.65 0.11 -0.53 0.00 0.00 176.83 176.83 2pqi h LYS 197 N 0.90 0.03 -0.00 2.24 1.79 -1.36 -3.19 116.57 116.97 2pqi h LYS 197 Ca 0.18 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.41 2pqi h LYS 197 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2pqi h LYS 197 CO 0.01 0.67 -0.92 -0.07 -1.08 0.00 0.00 179.45 178.06 2pqi h LEU 198 N 0.02 0.49 -1.05 2.94 3.38 -0.91 -3.16 115.31 117.02 2pqi h LEU 198 Ca -0.01 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 2pqi h LEU 198 Cb 1.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2pqi h LEU 198 CO 0.09 1.19 -0.41 1.62 0.09 0.00 0.00 178.44 181.02 2pqi h VAL 199 N 0.22 1.06 -0.21 1.22 3.04 -1.17 -1.18 116.25 119.23 2pqi h VAL 199 Ca -0.07 -1.52 -0.20 0.00 -1.01 0.00 0.00 66.70 63.91 2pqi h VAL 199 Cb 1.55 1.87 0.01 0.00 -2.01 0.00 0.00 31.29 32.71 2pqi h VAL 199 CO 0.16 0.40 -0.63 0.11 -1.01 0.00 0.00 177.57 176.59 2pqi h LYS 200 N 0.00 0.79 -0.34 4.17 1.57 -1.58 -2.16 116.57 119.03 2pqi h LYS 200 Ca -0.00 -0.58 -0.17 0.00 -1.87 0.00 0.00 60.65 58.03 2pqi h LYS 200 Cb 0.84 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 2pqi h LYS 200 CO 0.05 1.20 -0.45 -0.07 -0.57 0.00 0.00 179.45 179.61 2pqi h LEU 201 N 0.54 0.98 -0.40 2.94 3.38 -1.49 -1.37 115.31 119.88 2pqi h LEU 201 Ca -0.02 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.51 2pqi h LEU 201 Cb 1.25 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2pqi h LEU 201 CO 0.14 1.28 0.12 0.58 0.09 0.00 0.00 178.44 180.65 2pqi h VAL 202 N 0.70 0.85 -0.11 1.22 2.07 -1.17 0.34 116.25 120.15 2pqi h VAL 202 Ca 0.04 -0.09 -0.23 0.00 0.82 0.00 0.00 66.70 67.23 2pqi h VAL 202 Cb 1.06 0.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2pqi h VAL 202 CO 0.11 0.05 -0.85 0.58 0.02 0.00 0.00 177.57 177.48 2pqi h VAL 203 N 0.26 1.28 -0.24 2.57 2.07 -1.35 0.38 116.25 121.22 2pqi h VAL 203 Ca 0.19 -2.04 -0.12 0.00 0.82 0.00 0.00 66.70 65.55 2pqi h VAL 203 Cb 0.19 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2pqi h VAL 203 CO -0.21 0.64 -0.31 0.24 0.02 0.00 0.00 177.57 177.95 2pqi h MET 204 N 0.49 0.64 0.00 1.57 2.07 -1.10 -2.55 114.93 116.05 2pqi h MET 204 Ca -0.07 -0.36 0.00 0.00 -2.07 0.00 0.00 59.70 57.19 2pqi h MET 204 Cb 1.48 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 31.24 2pqi h MET 204 CO 0.17 0.97 -0.18 0.28 1.07 0.00 0.00 176.91 179.23 2pqi n VAL 205 N -4.29 0.49 0.12 -2.22 0.31 0.12 -3.68 118.33 109.18 2pqi n VAL 205 Ca -0.05 0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 64.55 2pqi n VAL 205 Cb 0.48 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.53 2pqi n VAL 205 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pqi h GLU 207 N -0.29 0.02 -0.54 0.00 4.39 -1.29 -2.41 114.58 114.45 2pqi h GLU 207 Ca -0.01 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2pqi h GLU 207 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2pqi h GLU 207 CO -0.01 0.57 0.16 0.78 -1.16 0.00 0.00 179.01 179.34 2pqi h GLY 208 N 1.64 0.92 1.55 -3.84 0.00 -1.23 0.11 103.07 102.22 2pqi h GLY 208 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 2pqi h GLY 208 CO 0.07 0.52 -0.04 1.41 0.00 0.00 0.00 176.54 178.50 2pqi h LEU 209 N 0.76 0.52 0.12 3.11 3.38 -0.95 -3.25 115.31 118.99 2pqi h LEU 209 Ca 0.17 -0.11 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 2pqi h LEU 209 Cb 0.30 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.93 2pqi h LEU 209 CO -0.00 0.62 -1.26 0.03 0.09 0.00 0.00 178.44 177.92 2pqi h ARG 210 N 0.52 0.37 -5.88 1.13 3.08 -0.91 -3.40 114.38 109.29 2pqi h ARG 210 Ca 0.11 -0.59 -0.69 0.00 0.07 0.00 0.00 59.98 58.88 2pqi h ARG 210 Cb 0.40 0.21 -0.30 0.00 0.08 0.00 0.00 29.97 30.36 2pqi h ARG 210 CO 0.02 1.27 -0.86 -0.06 -1.07 0.00 0.00 179.97 179.27 2pqi s PHE 211 N -2.74 2.53 0.11 3.04 0.40 0.32 0.07 117.98 121.72 2pqi s PHE 211 Ca -0.06 -0.69 0.23 0.00 -0.60 0.00 0.00 56.93 55.81 2pqi s PHE 211 Cb 0.07 -1.65 0.84 0.00 0.51 0.00 0.00 43.02 42.79 2pqi s PHE 211 CO 0.90 -0.20 1.79 -0.91 0.70 0.00 0.00 175.22 177.50 2pqi h ASN 212 N 6.14 0.00 0.04 1.36 2.35 0.12 -2.27 115.58 123.32 2pqi h ASN 212 Ca -0.31 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2pqi h ASN 212 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2pqi h ASN 212 CO 0.48 0.25 -0.02 0.00 -1.65 0.00 0.00 177.43 176.50 2pqi h THR 213 N 0.00 1.05 -0.11 2.81 1.03 -1.73 -2.75 112.91 113.21 2pqi h THR 213 Ca -0.00 -0.30 -0.03 0.00 -0.01 0.00 0.00 66.41 66.07 2pqi h THR 213 Cb 0.80 1.25 -0.00 0.00 -1.07 0.00 0.00 68.15 69.13 2pqi h THR 213 CO 0.03 0.08 -0.03 0.58 -0.01 0.00 0.00 175.52 176.17 2pqi h VAL 214 N -0.18 1.30 -0.93 0.00 2.07 -1.83 -2.44 116.25 114.24 2pqi h VAL 214 Ca -0.01 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.58 2pqi h VAL 214 Cb 0.16 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 2pqi h VAL 214 CO 0.01 0.28 0.61 0.77 0.02 0.00 0.00 177.57 179.25 2pqi h SER 215 N -0.11 0.98 -0.04 0.57 4.64 -1.51 0.57 113.55 118.65 2pqi h SER 215 Ca 0.03 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.10 2pqi h SER 215 Cb 0.45 -0.22 0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2pqi h SER 215 CO 0.01 0.66 -0.94 0.03 -0.87 0.00 0.00 176.83 175.73 2pqi h ARG 216 N 1.13 0.71 0.57 4.77 2.47 -1.52 -2.15 114.38 120.36 2pqi h ARG 216 Ca 0.38 -0.71 -0.03 0.00 -1.26 0.00 0.00 59.98 58.36 2pqi h ARG 216 Cb 0.07 0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2pqi h ARG 216 CO -0.12 1.29 -0.27 1.15 0.56 0.00 0.00 179.97 182.58 2pqi h THR 217 N 0.40 0.43 -0.01 2.04 2.02 -1.11 -1.32 112.91 115.35 2pqi h THR 217 Ca -0.11 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.04 2pqi h THR 217 Cb 1.59 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2pqi h THR 217 CO 0.19 0.01 -0.14 0.58 0.37 0.00 0.00 175.52 176.52 2pqi h VAL 218 N -0.80 0.65 -0.27 3.16 2.07 -0.97 -2.72 116.25 117.37 2pqi h VAL 218 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2pqi h VAL 218 Cb 0.60 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2pqi h VAL 218 CO 0.13 0.00 0.02 -0.78 0.02 0.00 0.00 177.57 176.96 2pqi h ASP 219 N -0.23 -0.06 -0.13 0.57 3.58 -1.40 0.71 116.42 119.47 2pqi h ASP 219 Ca 0.05 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.59 2pqi h ASP 219 Cb 0.30 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2pqi h ASP 219 CO -0.15 0.00 0.16 0.00 -2.88 0.00 0.00 179.24 176.37 2pqi h ALA 220 N 1.22 1.67 -0.00 -0.78 0.00 -1.03 -1.93 119.26 118.40 2pqi h ALA 220 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pqi h ALA 220 Cb 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pqi h ALA 220 CO -0.20 -0.23 -0.03 0.41 0.00 0.00 0.00 179.25 179.20 2pqi n GLY 221 N -1.35 4.89 0.33 0.00 0.00 -0.69 -4.81 105.19 103.56 2pqi n GLY 221 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.89 2pqi n GLY 221 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pqi h PHE 222 N 0.09 0.77 -0.43 1.61 3.04 -0.05 -2.97 116.94 119.01 2pqi h PHE 222 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2pqi h PHE 222 Cb 1.01 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.26 2pqi h PHE 222 CO 0.06 0.48 0.00 0.09 -2.02 0.00 0.00 178.31 176.92 2pqi n ASN 223 N -4.44 4.39 -4.82 0.41 3.02 -1.26 -1.41 115.26 111.15 2pqi n ASN 223 Ca 0.06 -2.74 -0.32 0.00 -0.03 0.00 0.00 54.58 51.56 2pqi n ASN 223 Cb 0.05 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.68 2pqi n ASN 223 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2pqi s SER 224 N -1.32 6.06 0.13 6.41 0.15 -1.12 -4.98 113.70 119.03 2pqi s SER 224 Ca 0.45 1.68 -0.09 0.00 0.70 0.00 0.00 55.95 58.69 2pqi s SER 224 Cb 0.33 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 62.06 2pqi s SER 224 CO 0.15 -0.98 1.38 -0.61 1.20 0.00 0.00 173.24 174.38 2pqi h GLN 225 N 0.42 0.70 -0.19 5.44 4.15 -1.95 -3.15 115.11 120.53 2pqi h GLN 225 Ca -0.46 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 58.43 2pqi h GLN 225 Cb 1.20 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.99 2pqi h GLN 225 CO 0.59 1.15 0.00 0.72 -1.93 0.00 0.00 178.83 179.36 2pqi n HIS 226 N -3.93 0.25 -4.64 3.99 8.25 -1.26 -5.03 115.22 112.85 2pqi n HIS 226 Ca -0.06 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2pqi n HIS 226 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 2pqi n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pqi n GLY 227 N 0.86 -0.58 3.24 -1.41 0.00 -1.19 -4.92 105.19 101.19 2pqi n GLY 227 Ca 0.08 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2pqi n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqi s VAL 228 N 0.00 0.01 0.12 1.61 0.11 -0.63 -4.79 120.40 116.82 2pqi s VAL 228 Ca 0.00 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 2pqi s VAL 228 Cb 0.00 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2pqi s VAL 228 CO 0.00 -0.07 0.03 0.42 -3.33 0.00 0.00 175.10 172.15 2pqi s THR 229 N -0.20 0.18 0.38 5.04 -4.23 -1.26 -0.51 115.64 115.04 2pqi s THR 229 Ca -0.03 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 58.51 2pqi s THR 229 Cb -0.03 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 2pqi s THR 229 CO 0.01 -0.59 0.70 -0.76 -0.54 0.00 0.00 174.62 173.44 2pqi s LEU 230 N -3.03 3.87 0.81 4.79 1.43 -1.26 -4.99 118.68 120.30 2pqi s LEU 230 Ca 0.20 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.12 2pqi s LEU 230 Cb 0.07 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.56 2pqi s LEU 230 CO -0.01 -0.36 1.11 0.42 0.23 0.00 0.00 176.35 177.74 2pqi s THR 231 N -2.35 2.82 0.27 5.49 -4.23 -1.26 -4.29 115.64 112.09 2pqi s THR 231 Ca 0.48 0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 61.23 2pqi s THR 231 Cb -0.10 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.83 2pqi s THR 231 CO 0.34 -0.35 1.83 0.58 -0.54 0.00 0.00 174.62 176.48 2pqi h VAL 232 N -1.10 1.23 -0.16 2.29 2.07 -1.97 -1.46 116.25 117.15 2pqi h VAL 232 Ca -0.47 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2pqi h VAL 232 Cb 1.28 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2pqi h VAL 232 CO 0.61 0.30 -0.07 0.74 0.02 0.00 0.00 177.57 179.17 2pqi h THR 233 N 0.91 1.31 -0.66 2.57 2.02 -1.97 -2.47 112.91 114.61 2pqi h THR 233 Ca 0.21 -1.11 0.08 0.00 0.77 0.00 0.00 66.41 66.35 2pqi h THR 233 Cb 0.24 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 68.29 2pqi h THR 233 CO -0.01 0.33 0.34 1.56 0.37 0.00 0.00 175.52 178.10 2pqi h GLN 234 N 0.02 0.58 -0.61 6.66 4.20 -1.88 -1.62 115.11 122.46 2pqi h GLN 234 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2pqi h GLN 234 Cb 0.54 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 2pqi h GLN 234 CO 0.02 0.39 0.34 0.78 -0.67 0.00 0.00 178.83 179.69 2pqi h GLY 235 N 0.60 0.89 1.55 3.46 0.00 -1.15 0.15 103.07 108.57 2pqi h GLY 235 Ca 0.31 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 2pqi h GLY 235 CO -0.23 0.37 -0.52 0.50 0.00 0.00 0.00 176.54 176.66 2pqi h LYS 236 N 0.85 0.48 -0.00 4.80 6.56 -0.85 -1.50 116.57 126.90 2pqi h LYS 236 Ca 0.22 -0.29 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2pqi h LYS 236 Cb 0.01 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2pqi h LYS 236 CO -0.04 0.88 -0.00 1.96 -2.06 0.00 0.00 179.45 180.19 2pqi h GLN 237 N 0.38 0.01 -0.64 3.15 4.20 -0.75 -2.99 115.11 118.47 2pqi h GLN 237 Ca 0.01 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.84 2pqi h GLN 237 Cb 1.03 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.73 2pqi h GLN 237 CO 0.09 0.41 0.17 0.28 -0.67 0.00 0.00 178.83 179.12 2pqi h VAL 238 N -0.40 0.64 0.00 -0.54 2.07 -0.62 0.33 116.25 117.74 2pqi h VAL 238 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2pqi h VAL 238 Cb 0.41 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2pqi h VAL 238 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2pqi n GLN 239 N -5.10 0.33 -0.17 1.57 6.02 -0.58 -2.49 117.38 116.98 2pqi n GLN 239 Ca 0.10 0.08 0.05 0.00 -0.01 0.00 0.00 57.00 57.22 2pqi n GLN 239 Cb 0.35 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.25 2pqi n GLN 239 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pqi n LYS 240 N -1.15 2.88 -0.36 -1.09 4.76 0.11 -4.82 118.16 118.50 2pqi n LYS 240 Ca 0.09 -2.02 0.05 0.00 -2.87 0.00 0.00 58.31 53.56 2pqi n LYS 240 Cb 0.09 -1.26 0.13 0.00 -1.84 0.00 0.00 35.03 32.14 2pqi n LYS 240 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2pqi h TRP 241 N 1.72 -0.60 -0.63 2.13 7.01 -1.25 0.35 115.95 124.67 2pqi h TRP 241 Ca 0.00 0.09 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 2pqi h TRP 241 Cb 0.74 0.42 -0.03 0.00 -2.10 0.00 0.00 29.16 28.19 2pqi h TRP 241 CO 0.21 -0.43 0.26 0.22 -2.79 0.00 0.00 178.44 175.92 2pqi h ASP 242 N -0.00 0.83 -0.14 2.65 1.82 -1.89 0.21 116.42 119.91 2pqi h ASP 242 Ca 0.46 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.97 2pqi h ASP 242 Cb 0.71 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 2pqi h ASP 242 CO -1.02 0.74 -0.03 -0.09 -1.61 0.00 0.00 179.24 177.23 2pqi h ARG 243 N 0.90 0.27 -0.58 0.28 1.12 -0.78 0.33 114.38 115.91 2pqi h ARG 243 Ca 0.22 -0.10 -0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2pqi h ARG 243 Cb 0.16 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 2pqi h ARG 243 CO -0.02 0.55 0.34 0.82 -3.11 0.00 0.00 179.97 178.55 2pqi h ILE 244 N -0.04 1.17 -0.68 1.20 2.04 -0.63 -0.91 117.51 119.67 2pqi h ILE 244 Ca 0.04 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2pqi h ILE 244 Cb 0.45 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2pqi h ILE 244 CO 0.01 0.18 0.18 0.28 0.00 0.00 0.00 178.15 178.80 2pqi h SER 245 N 0.80 0.99 0.27 1.72 0.02 -0.20 -0.95 113.55 116.21 2pqi h SER 245 Ca 0.21 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2pqi h SER 245 Cb -0.02 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2pqi h SER 245 CO -0.04 0.95 -0.42 0.11 -1.14 0.00 0.00 176.83 176.29 2pqi h LYS 246 N 1.01 0.19 -0.56 3.45 1.57 0.09 -2.61 116.57 119.71 2pqi h LYS 246 Ca 0.22 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2pqi h LYS 246 Cb 0.33 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2pqi h LYS 246 CO -0.00 0.58 0.22 0.00 -0.57 0.00 0.00 179.45 179.68 2pqi h ALA 247 N 1.41 0.73 -0.29 3.86 0.00 -0.50 -1.69 119.26 122.77 2pqi h ALA 247 Ca 0.01 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2pqi h ALA 247 Cb 0.81 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2pqi h ALA 247 CO 0.06 0.34 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 2pqi h ALA 248 N 1.07 0.05 -0.38 0.00 0.00 -0.81 0.51 119.26 119.69 2pqi h ALA 248 Ca 0.19 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2pqi h ALA 248 Cb 0.20 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2pqi h ALA 248 CO -0.02 -0.56 0.22 0.74 0.00 0.00 0.00 179.25 179.63 2pqi h PHE 249 N -0.13 0.41 -0.93 0.00 -1.00 -1.34 -1.92 116.94 112.02 2pqi h PHE 249 Ca 0.15 0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.98 2pqi h PHE 249 Cb 0.36 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 39.74 2pqi h PHE 249 CO -0.35 0.23 0.60 1.49 -1.61 0.00 0.00 178.31 178.67 2pqi h GLU 250 N 0.44 1.14 0.00 1.51 4.81 -0.45 0.63 114.58 122.66 2pqi h GLU 250 Ca 0.15 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2pqi h GLU 250 Cb 0.02 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.14 2pqi h GLU 250 CO -0.08 0.75 0.00 0.91 -0.73 0.00 0.00 179.01 179.86 2pqi n TRP 251 N -4.50 0.00 0.03 0.92 8.01 0.17 -1.41 117.44 120.67 2pqi n TRP 251 Ca 0.12 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.10 2pqi n TRP 251 Cb 0.09 -0.37 -0.14 0.00 -2.01 0.00 0.00 31.31 28.88 2pqi n TRP 251 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2pqi h ALA 252 N 2.98 0.11 -0.06 6.99 0.00 -0.14 -3.00 119.26 126.14 2pqi h ALA 252 Ca 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 54.91 53.89 2pqi h ALA 252 Cb 0.29 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pqi h ALA 252 CO 0.00 0.77 0.03 -0.44 0.00 0.00 0.00 179.25 179.60 2pqi h ASP 253 N -0.24 0.08 -3.03 0.00 3.45 -1.00 -3.40 116.42 112.28 2pqi h ASP 253 Ca -0.28 -0.15 -0.57 0.00 0.43 0.00 0.00 57.03 56.46 2pqi h ASP 253 Cb 1.81 -0.02 -0.40 0.00 -0.56 0.00 0.00 39.33 40.16 2pqi h ASP 253 CO 0.10 0.21 -0.77 -2.28 -1.57 0.00 0.00 179.24 174.93 2pqi s HIS 254 N -5.60 1.24 0.50 4.55 2.46 -0.50 -5.01 115.29 112.92 2pqi s HIS 254 Ca -0.14 -1.53 0.18 0.00 0.47 0.00 0.00 55.06 54.04 2pqi s HIS 254 Cb 0.05 -1.42 1.23 0.00 -0.13 0.00 0.00 32.58 32.31 2pqi s HIS 254 CO 0.68 -0.85 2.06 -1.35 -2.47 0.00 0.00 174.74 172.81 2pqi h PRO 255 N 7.98 0.12 0.00 2.88 0.11 -1.74 -2.64 132.00 138.70 2pqi h PRO 255 Ca -0.13 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 2pqi h PRO 255 Cb 1.00 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2pqi h PRO 255 CO 0.45 0.08 -0.59 1.79 -0.21 0.00 0.00 178.00 179.51 2pqi h THR 256 N 0.12 0.25 -0.86 -1.15 1.35 -1.94 -3.45 112.91 107.23 2pqi h THR 256 Ca 0.14 -1.39 -0.47 0.00 -0.55 0.00 0.00 66.41 64.14 2pqi h THR 256 Cb 0.40 1.95 0.09 0.00 -1.73 0.00 0.00 68.15 68.86 2pqi h THR 256 CO -0.02 0.14 -0.47 0.00 -0.25 0.00 0.00 175.52 174.92 2pqi n ALA 257 N -2.19 -2.41 -2.76 6.62 0.00 -0.99 -4.94 120.51 113.84 2pqi n ALA 257 Ca 0.01 0.25 -0.35 0.00 0.00 0.00 0.00 53.44 53.34 2pqi n ALA 257 Cb 0.62 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 2pqi n ALA 257 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pqi s VAL 258 N -0.86 5.11 -0.42 0.00 1.01 -1.26 -4.99 120.40 118.98 2pqi s VAL 258 Ca 0.45 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2pqi s VAL 258 Cb -0.61 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 32.55 2pqi s VAL 258 CO 0.42 0.41 0.19 -0.63 0.00 0.00 0.00 175.10 175.48 2pqi s ILE 259 N 0.69 1.71 0.56 2.22 1.01 -1.26 -4.99 121.20 121.15 2pqi s ILE 259 Ca 0.06 -2.49 0.31 0.00 0.00 0.00 0.00 60.65 58.53 2pqi s ILE 259 Cb -0.13 -2.22 0.45 0.00 0.01 0.00 0.00 42.46 40.57 2pqi s ILE 259 CO 0.01 -0.79 1.84 1.55 0.00 0.00 0.00 174.94 177.55 2pqi h PRO 260 N 7.05 0.00 0.00 2.79 0.13 -1.97 0.67 132.00 140.67 2pqi h PRO 260 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2pqi h PRO 260 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2pqi h PRO 260 CO 0.53 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.86 2pqi h ASP 261 N 0.00 0.00 0.03 1.44 3.45 -1.98 -0.00 116.42 119.37 2pqi h ASP 261 Ca 0.37 0.00 -0.38 0.00 0.43 0.00 0.00 57.03 57.45 2pqi h ASP 261 Cb 1.67 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 40.39 2pqi h ASP 261 CO -0.00 0.00 -2.24 0.23 -1.57 0.00 0.00 179.24 175.66 2pqi n MET 262 N -2.95 0.66 -0.11 3.56 2.81 0.22 -4.01 117.12 117.31 2pqi n MET 262 Ca -0.00 0.24 -0.06 0.00 -1.81 0.00 0.00 57.70 56.07 2pqi n MET 262 Cb 0.21 -1.59 0.02 0.00 -0.71 0.00 0.00 33.22 31.15 2pqi n MET 262 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 2pqi h GLN 263 N -0.25 0.22 -0.01 0.03 1.08 -1.05 -0.01 115.11 115.12 2pqi h GLN 263 Ca -0.54 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 2pqi h GLN 263 Cb 1.83 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 29.21 2pqi h GLN 263 CO -0.11 0.15 0.03 0.87 -0.95 0.00 0.00 178.83 178.81 2pqi h LYS 264 N 0.23 0.00 -0.02 1.46 1.79 -1.19 -0.11 116.57 118.73 2pqi h LYS 264 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2pqi h LYS 264 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2pqi h LYS 264 CO -0.20 0.00 -0.17 1.28 -1.08 0.00 0.00 179.45 179.28 2pqi n LEU 265 N -3.24 2.10 0.00 2.94 4.77 -0.39 -4.93 117.00 118.24 2pqi n LEU 265 Ca -0.03 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2pqi n LEU 265 Cb 0.10 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2pqi n LEU 265 CO 0.21 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2pqi n GLY 266 N 1.33 0.66 3.15 -0.72 0.00 -0.05 -4.86 105.19 104.69 2pqi n GLY 266 Ca 0.13 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 2pqi n GLY 266 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqi s ILE 267 N -2.00 3.61 0.09 -0.61 1.01 -0.16 -5.00 121.20 118.14 2pqi s ILE 267 Ca 0.00 -2.05 -0.24 0.00 0.00 0.00 0.00 60.65 58.36 2pqi s ILE 267 Cb 0.00 -3.43 -0.15 0.00 0.01 0.00 0.00 42.46 38.89 2pqi s ILE 267 CO 0.00 -0.73 1.73 0.11 0.00 0.00 0.00 174.94 176.04 2pqi h LYS 268 N 8.09 -0.09 0.00 2.79 6.56 -1.90 -3.19 116.57 128.84 2pqi h LYS 268 Ca -0.14 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2pqi h LYS 268 Cb 1.05 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2pqi h LYS 268 CO 0.75 -0.06 0.00 -0.40 -2.06 0.00 0.00 179.45 177.68 2pqi n ASP 269 N -5.13 0.00 0.21 0.86 5.68 -1.26 -4.81 116.55 112.10 2pqi n ASP 269 Ca -0.08 -0.59 0.07 0.00 -0.50 0.00 0.00 54.79 53.69 2pqi n ASP 269 Cb 0.07 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.53 2pqi n ASP 269 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2pqi h LYS 270 N 0.00 0.00 -0.38 0.11 2.10 -1.93 -1.75 116.57 114.72 2pqi h LYS 270 Ca 0.00 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.50 2pqi h LYS 270 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 2pqi h LYS 270 CO 0.00 0.28 -0.35 -0.97 -2.00 0.00 0.00 179.45 176.40 2pqi h ASN 271 N 0.00 0.93 -0.14 7.07 -1.24 -1.97 -0.63 115.58 119.60 2pqi h ASN 271 Ca -0.00 -0.41 -0.18 0.00 0.71 0.00 0.00 56.30 56.42 2pqi h ASN 271 Cb 0.58 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 2pqi h ASN 271 CO 0.04 1.18 -0.57 -0.08 -1.29 0.00 0.00 177.43 176.71 2pqi h GLU 272 N 0.73 0.74 -0.31 6.67 4.81 -1.87 -3.00 114.58 122.35 2pqi h GLU 272 Ca 0.07 -0.48 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 2pqi h GLU 272 Cb 0.93 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2pqi h GLU 272 CO 0.09 1.11 -0.29 0.00 -0.73 0.00 0.00 179.01 179.18 2pqi h ALA 273 N 0.79 0.91 0.00 2.92 0.00 -1.26 -2.85 119.26 119.77 2pqi h ALA 273 Ca 0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2pqi h ALA 273 Cb 1.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2pqi h ALA 273 CO 0.12 0.62 -0.07 0.00 0.00 0.00 0.00 179.25 179.92 2pqi h ALA 274 N 1.12 1.77 0.00 0.00 0.00 -0.98 -1.72 119.26 119.46 2pqi h ALA 274 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2pqi h ALA 274 Cb 0.78 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2pqi h ALA 274 CO 0.06 0.09 -0.89 0.07 0.00 0.00 0.00 179.25 178.58 2pqi h ARG 275 N 0.00 0.00 0.00 0.00 0.11 -1.40 -3.39 114.38 109.69 2pqi h ARG 275 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2pqi h ARG 275 Cb 0.13 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.21 2pqi h ARG 275 CO 0.01 0.04 -0.14 0.82 0.10 0.00 0.00 179.97 180.80 2pqi h ILE 276 N 0.00 0.38 -3.38 0.08 2.04 -1.22 -3.40 117.51 112.01 2pqi h ILE 276 Ca -0.02 -1.31 -0.58 0.00 1.00 0.00 0.00 64.86 63.95 2pqi h ILE 276 Cb 1.07 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 2pqi h ILE 276 CO 0.01 0.13 0.12 0.68 0.00 0.00 0.00 178.15 179.09 2pqi s VAL 277 N -1.83 5.03 -0.05 1.67 -7.23 -0.71 0.15 120.40 117.43 2pqi s VAL 277 Ca -0.07 1.28 -0.20 0.00 -1.81 0.00 0.00 61.98 61.18 2pqi s VAL 277 Cb 0.00 -3.98 -0.31 0.00 0.56 0.00 0.00 36.38 32.65 2pqi s VAL 277 CO 0.19 0.16 0.82 0.00 -0.31 0.00 0.00 175.10 175.96 2pqi h ALA 278 N 7.21 -0.03 -3.39 1.32 0.00 -0.65 -3.44 119.26 120.29 2pqi h ALA 278 Ca -0.34 -0.81 -0.55 0.00 0.00 0.00 0.00 54.91 53.20 2pqi h ALA 278 Cb 1.16 0.21 -0.34 0.00 0.00 0.00 0.00 17.79 18.82 2pqi h ALA 278 CO 0.78 0.52 -0.83 -0.51 0.00 0.00 0.00 179.25 179.21 2pqi s LEU 279 N -7.77 1.73 -0.06 0.00 1.43 -1.07 -4.14 118.68 108.80 2pqi s LEU 279 Ca -0.15 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2pqi s LEU 279 Cb 0.02 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2pqi s LEU 279 CO 0.83 0.05 0.15 0.68 0.23 0.00 0.00 176.35 178.29 2pqi s VAL 280 N 0.64 5.37 0.02 -1.59 -7.23 -1.20 -4.88 120.40 111.54 2pqi s VAL 280 Ca -0.14 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.72 2pqi s VAL 280 Cb -0.16 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2pqi s VAL 280 CO 0.04 0.48 1.11 -0.75 -0.31 0.00 0.00 175.10 175.67 2pqi s LYS 281 N -1.45 4.48 0.44 4.82 2.20 -1.26 -1.07 119.74 127.91 2pqi s LYS 281 Ca 0.21 1.61 -0.25 0.00 -0.36 0.00 0.00 55.97 57.18 2pqi s LYS 281 Cb -0.12 -3.41 -0.08 0.00 -1.51 0.00 0.00 37.83 32.71 2pqi s LYS 281 CO 0.11 -0.19 1.29 1.21 -0.36 0.00 0.00 175.35 177.41 2pqi s ASN 282 N 1.07 6.08 0.00 1.43 3.04 -1.26 -4.72 114.94 120.58 2pqi s ASN 282 Ca 0.56 2.61 0.00 0.00 0.04 0.00 0.00 52.86 56.07 2pqi s ASN 282 Cb -0.25 -2.63 0.00 0.00 -1.54 0.00 0.00 41.25 36.82 2pqi s ASN 282 CO 0.28 -1.01 0.41 1.67 -3.04 0.00 0.00 177.10 175.42