#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 0.77 -0.13 0.03 2.47 -1.25 -4.99 119.74 116.65 2pqi s LYS 22 Ca 0.00 -0.86 -0.29 0.00 -1.56 0.00 0.00 55.97 53.26 2pqi s LYS 22 Cb 0.00 -0.49 -0.05 0.00 -1.46 0.00 0.00 37.83 35.83 2pqi s LYS 22 CO 0.00 -1.23 1.78 -0.06 0.16 0.00 0.00 175.35 176.00 2pqi s PHE 23 N 1.33 1.78 0.65 4.03 0.08 -1.26 -3.02 117.98 121.57 2pqi s PHE 23 Ca 0.20 0.26 -0.10 0.00 0.12 0.00 0.00 56.93 57.40 2pqi s PHE 23 Cb -0.09 -4.01 -0.01 0.00 -0.57 0.00 0.00 43.02 38.34 2pqi s PHE 23 CO -0.05 -3.84 1.04 0.99 -0.10 0.00 0.00 175.22 173.26 2pqi s THR 24 N 5.21 4.02 0.26 0.64 2.01 -0.17 -4.96 115.64 122.66 2pqi s THR 24 Ca 0.79 0.57 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 2pqi s THR 24 Cb -0.32 -3.64 -0.11 0.00 0.01 0.00 0.00 72.50 68.44 2pqi s THR 24 CO 0.32 -0.82 1.57 -1.61 -0.69 0.00 0.00 174.62 173.40 2pqi s GLU 25 N -5.23 4.16 0.38 4.92 2.02 -1.26 -4.49 118.70 119.20 2pqi s GLU 25 Ca 0.56 2.50 -0.27 0.00 0.02 0.00 0.00 54.97 57.78 2pqi s GLU 25 Cb -0.11 -3.06 -0.11 0.00 0.10 0.00 0.00 34.13 30.95 2pqi s GLU 25 CO 0.52 -0.60 1.32 -0.89 0.02 0.00 0.00 175.26 175.63 2pqi n ILE 26 N 2.54 2.21 -3.63 -1.63 -0.00 -1.26 -4.70 119.36 112.88 2pqi n ILE 26 Ca 0.09 -0.50 -0.38 0.00 -0.00 0.00 0.00 62.75 61.96 2pqi n ILE 26 Cb 0.38 -1.64 -0.11 0.00 -0.00 0.00 0.00 39.64 38.26 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 -1.14 3.18 -1.26 1.39 5.36 -0.19 -4.98 117.98 120.34 2pqi s PHE 27 Ca 0.57 -0.16 -0.12 0.00 -0.96 0.00 0.00 56.93 56.27 2pqi s PHE 27 Cb -0.53 -2.36 0.16 0.00 -0.34 0.00 0.00 43.02 39.95 2pqi s PHE 27 CO 0.61 -0.28 1.71 -2.30 -1.46 0.00 0.00 175.22 173.50 2pqi n PRO 28 N 5.02 3.46 -0.16 10.12 -0.02 -1.26 0.50 135.00 152.66 2pqi n PRO 28 Ca -0.14 -3.60 -0.05 0.00 -2.02 0.00 0.00 63.50 57.69 2pqi n PRO 28 Cb 0.51 -3.02 -0.04 0.00 -0.02 0.00 0.00 33.50 30.93 2pqi n PRO 28 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pqi h VAL 29 N 4.21 0.00 0.00 -1.45 2.07 -0.52 0.23 116.25 120.79 2pqi h VAL 29 Ca 0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.90 2pqi h VAL 29 Cb 0.74 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2pqi h VAL 29 CO 1.48 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 178.45 2pqi n GLU 30 N -3.90 0.02 -2.67 1.57 1.02 -1.26 -4.46 120.64 110.96 2pqi n GLU 30 Ca 0.01 0.31 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 2pqi n GLU 30 Cb 0.11 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 2pqi n GLU 30 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pqi s ASP 31 N -3.12 6.27 0.00 1.62 2.15 0.07 -4.88 116.67 118.77 2pqi s ASP 31 Ca 0.06 -0.38 0.06 0.00 0.43 0.00 0.00 52.55 52.71 2pqi s ASP 31 Cb 0.08 -2.51 0.27 0.00 -0.30 0.00 0.00 42.92 40.47 2pqi s ASP 31 CO 0.23 -1.55 1.13 0.00 -0.17 0.00 0.00 175.17 174.81 2pqi n ALA 32 N 8.46 1.35 0.17 3.66 0.00 -1.26 -2.10 120.51 130.78 2pqi n ALA 32 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2pqi n ALA 32 Cb 0.48 -1.10 0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.57 0.00 2.35 -1.93 -3.42 115.58 109.01 2pqi h ASN 33 Ca 0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.08 2pqi h ASN 33 Cb 0.08 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.29 2pqi h ASN 33 CO 0.00 0.20 -0.06 -0.47 -1.65 0.00 0.00 177.43 175.45 2pqi s TYR 34 N -3.13 3.13 0.60 1.19 6.14 -0.89 -5.06 117.35 119.33 2pqi s TYR 34 Ca 0.05 -0.18 -0.15 0.00 0.64 0.00 0.00 57.07 57.43 2pqi s TYR 34 Cb 0.06 -3.07 -0.04 0.00 0.42 0.00 0.00 41.96 39.33 2pqi s TYR 34 CO 0.71 -0.74 1.04 -1.25 0.64 0.00 0.00 175.55 175.95 2pqi s PRO 35 N 2.43 3.41 0.20 4.97 0.04 -1.26 -4.94 135.00 139.86 2pqi s PRO 35 Ca 0.17 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.24 2pqi s PRO 35 Cb -0.16 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.48 2pqi s PRO 35 CO 0.16 -0.73 1.59 -0.92 0.04 0.00 0.00 177.00 177.14 2pqi h TYR 36 N 0.30 0.86 0.00 0.56 3.20 -1.97 -2.98 116.97 116.93 2pqi h TYR 36 Ca -0.46 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.17 2pqi h TYR 36 Cb 1.21 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.28 2pqi h TYR 36 CO 0.61 0.96 -0.04 0.66 -1.64 0.00 0.00 178.16 178.71 2pqi h SER 37 N 0.62 0.00 0.51 -2.11 4.64 -1.91 -2.03 113.55 113.27 2pqi h SER 37 Ca 0.07 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.10 2pqi h SER 37 Cb 0.84 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.94 2pqi h SER 37 CO 0.07 0.04 -1.30 0.00 -0.87 0.00 0.00 176.83 174.77 2pqi h ALA 38 N 1.96 0.03 -0.09 5.18 0.00 -1.92 -2.49 119.26 121.92 2pqi h ALA 38 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 2pqi h ALA 38 Cb 0.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2pqi h ALA 38 CO 0.01 0.88 -0.01 0.35 0.00 0.00 0.00 179.25 180.48 2pqi h PHE 39 N 0.10 0.19 -0.44 0.00 3.57 -1.44 -0.00 116.94 118.93 2pqi h PHE 39 Ca -0.17 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 2pqi h PHE 39 Cb 2.01 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 2pqi h PHE 39 CO 0.08 0.45 0.26 0.82 -2.23 0.00 0.00 178.31 177.69 2pqi h ILE 40 N -0.13 1.15 -0.44 1.41 1.08 -1.49 -1.07 117.51 118.01 2pqi h ILE 40 Ca 0.03 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 2pqi h ILE 40 Cb 0.38 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.69 2pqi h ILE 40 CO 0.01 0.15 0.23 0.00 -0.69 0.00 0.00 178.15 177.84 2pqi h ALA 41 N 1.11 0.57 -0.28 1.87 0.00 -1.38 0.19 119.26 121.34 2pqi h ALA 41 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pqi h ALA 41 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pqi h ALA 41 CO -0.03 0.11 0.16 1.03 0.00 0.00 0.00 179.25 180.52 2pqi h SER 42 N 0.58 0.35 0.45 0.00 0.87 -0.80 -1.18 113.55 113.82 2pqi h SER 42 Ca 0.15 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 2pqi h SER 42 Cb 0.08 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2pqi h SER 42 CO -0.02 0.33 -0.44 0.58 -0.53 0.00 0.00 176.83 176.74 2pqi h VAL 43 N 0.34 1.31 -0.30 2.23 2.07 -1.00 -2.65 116.25 118.26 2pqi h VAL 43 Ca 0.10 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 2pqi h VAL 43 Cb 0.06 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2pqi h VAL 43 CO -0.02 0.43 0.05 0.03 0.02 0.00 0.00 177.57 178.09 2pqi h ARG 44 N 0.00 0.49 -0.05 1.57 3.08 -0.16 -1.83 114.38 117.48 2pqi h ARG 44 Ca -0.00 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 59.95 2pqi h ARG 44 Cb 0.79 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 2pqi h ARG 44 CO 0.06 0.58 -0.48 0.87 -1.07 0.00 0.00 179.97 179.93 2pqi h LYS 45 N 0.31 -0.57 -0.19 0.04 1.57 -0.93 0.21 116.57 117.02 2pqi h LYS 45 Ca 0.09 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2pqi h LYS 45 Cb 0.33 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 2pqi h LYS 45 CO 0.00 -0.38 -0.21 -0.44 -0.57 0.00 0.00 179.45 177.85 2pqi h ASP 46 N -0.59 -0.67 0.27 0.86 3.45 -1.38 -2.25 116.42 116.11 2pqi h ASP 46 Ca 0.04 0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 2pqi h ASP 46 Cb 0.68 0.31 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 2pqi h ASP 46 CO -0.37 -0.26 -0.23 0.58 -1.57 0.00 0.00 179.24 177.40 2pqi h VAL 47 N -0.24 0.52 -1.18 -1.35 2.07 -0.97 -2.09 116.25 113.01 2pqi h VAL 47 Ca 0.12 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.98 2pqi h VAL 47 Cb 0.42 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2pqi h VAL 47 CO -0.33 0.00 0.86 0.40 0.02 0.00 0.00 177.57 178.52 2pqi h ILE 48 N -0.51 0.39 -0.13 4.57 2.04 -0.26 0.59 117.51 124.20 2pqi h ILE 48 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2pqi h ILE 48 Cb 0.46 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2pqi h ILE 48 CO -0.02 0.00 0.15 0.11 0.00 0.00 0.00 178.15 178.39 2pqi h LYS 49 N 0.00 0.00 -0.47 2.37 1.57 -0.78 -0.34 116.57 118.91 2pqi h LYS 49 Ca 0.56 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.23 2pqi h LYS 49 Cb 2.27 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.52 2pqi h LYS 49 CO -0.01 0.00 0.09 0.72 -0.57 0.00 0.00 179.45 179.68 2pqi n HIS 50 N -3.78 1.61 -4.59 -1.35 8.25 0.21 -4.98 115.22 110.58 2pqi n HIS 50 Ca 0.00 -1.11 -0.34 0.00 -0.26 0.00 0.00 57.72 56.02 2pqi n HIS 50 Cb 0.26 -0.50 -0.12 0.00 1.12 0.00 0.00 29.99 30.76 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 -0.35 4.80 -0.51 0.00 -4.23 -0.73 -4.79 115.64 109.83 2pqi s THR 52 Ca 0.05 0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 2pqi s THR 52 Cb -0.12 -3.84 0.12 0.00 1.34 0.00 0.00 72.50 69.99 2pqi s THR 52 CO 0.02 -0.90 0.43 -0.62 -0.54 0.00 0.00 174.62 173.01 2pqi s ASP 53 N -3.94 6.00 0.07 3.99 3.68 -1.26 -2.30 116.67 122.90 2pqi s ASP 53 Ca 0.51 -1.78 -0.18 0.00 2.13 0.00 0.00 52.55 53.23 2pqi s ASP 53 Cb -0.11 -2.13 -0.07 0.00 -1.45 0.00 0.00 42.92 39.17 2pqi s ASP 53 CO 0.45 -0.77 0.54 -1.00 0.13 0.00 0.00 175.17 174.53 2pqi s HIS 54 N 1.52 3.79 0.36 -5.34 3.76 -1.26 -5.05 115.29 113.06 2pqi s HIS 54 Ca 0.04 1.22 -0.25 0.00 -0.15 0.00 0.00 55.06 55.92 2pqi s HIS 54 Cb -0.28 -2.46 -0.09 0.00 1.11 0.00 0.00 32.58 30.86 2pqi s HIS 54 CO 0.02 0.59 1.01 -1.59 -0.85 0.00 0.00 174.74 173.92 2pqi s LYS 55 N -1.14 4.39 0.00 1.40 -2.85 -1.26 -3.25 119.74 117.03 2pqi s LYS 55 Ca 0.29 1.45 0.00 0.00 -1.00 0.00 0.00 55.97 56.71 2pqi s LYS 55 Cb -0.19 -2.71 0.00 0.00 -2.06 0.00 0.00 37.83 32.88 2pqi s LYS 55 CO 0.18 0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.12 2pqi n GLY 56 N 0.49 2.61 3.37 0.59 0.00 -1.26 -4.90 105.19 106.08 2pqi n GLY 56 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.34 4.16 0.17 -0.61 1.01 -1.20 -4.37 121.20 118.02 2pqi s ILE 57 Ca 0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 2pqi s ILE 57 Cb 0.00 -3.16 0.05 0.00 0.01 0.00 0.00 42.46 39.37 2pqi s ILE 57 CO 0.00 0.05 1.83 -0.26 0.00 0.00 0.00 174.94 176.56 2pqi h PHE 58 N 8.27 0.61 -4.03 3.97 0.05 -1.94 -3.44 116.94 120.43 2pqi h PHE 58 Ca -0.31 0.01 -0.45 0.00 3.82 0.00 0.00 57.97 61.04 2pqi h PHE 58 Cb 1.13 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 38.86 2pqi h PHE 58 CO 0.62 0.38 0.35 -0.65 -0.18 0.00 0.00 178.31 178.83 2pqi s GLN 59 N -6.15 4.23 0.47 1.51 1.11 -1.26 -5.02 119.66 114.55 2pqi s GLN 59 Ca -0.13 1.20 -0.24 0.00 0.01 0.00 0.00 55.36 56.20 2pqi s GLN 59 Cb 0.12 -2.28 -0.07 0.00 -1.01 0.00 0.00 33.01 29.76 2pqi s GLN 59 CO 0.74 -0.04 1.35 -2.14 0.01 0.00 0.00 175.29 175.21 2pqi s PRO 60 N -2.97 3.59 -0.20 2.91 0.02 -1.26 -4.78 135.00 132.30 2pqi s PRO 60 Ca 0.61 2.23 -0.09 0.00 0.02 0.00 0.00 61.00 63.76 2pqi s PRO 60 Cb -0.12 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 31.82 2pqi s PRO 60 CO 0.16 -0.83 0.12 0.08 -0.33 0.00 0.00 177.00 176.20 2pqi s VAL 61 N -1.28 5.24 0.99 3.83 1.01 -0.97 -2.84 120.40 126.38 2pqi s VAL 61 Ca 0.64 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 2pqi s VAL 61 Cb -0.40 -3.39 0.19 0.00 0.00 0.00 0.00 36.38 32.78 2pqi s VAL 61 CO 0.50 0.43 1.08 -0.76 0.00 0.00 0.00 175.10 176.35 2pqi s LEU 62 N 0.45 1.83 0.45 3.92 1.43 -0.87 -1.78 118.68 124.10 2pqi s LEU 62 Ca 0.07 1.55 -0.25 0.00 -1.03 0.00 0.00 54.13 54.47 2pqi s LEU 62 Cb -0.12 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 2pqi s LEU 62 CO -0.01 -3.24 1.37 -2.84 0.23 0.00 0.00 176.35 171.86 2pqi s PRO 63 N -4.76 3.73 0.36 1.29 0.02 -1.26 -4.45 135.00 129.93 2pqi s PRO 63 Ca 0.66 2.29 -0.28 0.00 0.02 0.00 0.00 61.00 63.68 2pqi s PRO 63 Cb -0.21 -2.64 -0.11 0.00 0.02 0.00 0.00 34.50 31.56 2pqi s PRO 63 CO 0.59 -0.74 1.52 -0.35 -0.33 0.00 0.00 177.00 177.69 2pqi n PRO 64 N -0.18 2.71 -2.10 5.54 -0.04 -1.26 -4.31 135.00 135.36 2pqi n PRO 64 Ca 0.05 0.95 -0.41 0.00 -0.04 0.00 0.00 63.50 64.05 2pqi n PRO 64 Cb 0.43 -2.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 2pqi n PRO 64 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2pqi s GLU 65 N -1.83 4.33 0.18 0.54 2.12 -1.26 -4.88 118.70 117.90 2pqi s GLU 65 Ca 0.55 2.21 0.04 0.00 0.36 0.00 0.00 54.97 58.13 2pqi s GLU 65 Cb -0.47 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 30.75 2pqi s GLU 65 CO 0.61 -0.29 -0.06 0.15 -0.54 0.00 0.00 175.26 175.13 2pqi s LYS 66 N -0.88 1.19 0.33 4.30 1.02 -1.26 -5.04 119.74 119.39 2pqi s LYS 66 Ca 0.55 -1.55 0.05 0.00 0.02 0.00 0.00 55.97 55.03 2pqi s LYS 66 Cb -0.40 -0.64 0.59 0.00 -0.52 0.00 0.00 37.83 36.87 2pqi s LYS 66 CO 0.46 0.01 1.85 0.87 -0.92 0.00 0.00 175.35 177.61 2pqi h LYS 67 N 2.64 0.46 -2.81 1.68 1.57 -2.06 -3.33 116.57 114.72 2pqi h LYS 67 Ca -0.37 -0.11 -0.61 0.00 -1.87 0.00 0.00 60.65 57.68 2pqi h LYS 67 Cb 1.21 -0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.06 2pqi h LYS 67 CO 0.64 0.55 -0.76 0.08 -0.57 0.00 0.00 179.45 179.39 2pqi s VAL 68 N -4.82 1.61 0.38 0.50 1.01 -1.26 -5.08 120.40 112.74 2pqi s VAL 68 Ca -0.07 -3.27 -0.20 0.00 0.00 0.00 0.00 61.98 58.45 2pqi s VAL 68 Cb 0.15 -2.09 -0.15 0.00 0.00 0.00 0.00 36.38 34.30 2pqi s VAL 68 CO 0.76 -1.06 0.07 -0.81 0.00 0.00 0.00 175.10 174.06 2pqi n PRO 69 N 2.68 0.00 -0.00 2.72 -0.04 -1.25 -4.91 135.00 134.19 2pqi n PRO 69 Ca 0.20 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 2pqi n PRO 69 Cb 0.39 -0.93 -0.05 0.00 -0.04 0.00 0.00 33.50 32.87 2pqi n PRO 69 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2pqi n GLU 70 N 1.25 3.02 -4.61 0.54 -0.58 -1.26 -4.95 120.64 114.05 2pqi n GLU 70 Ca 0.10 -0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.49 2pqi n GLU 70 Cb 0.38 -0.98 -0.16 0.00 -0.57 0.00 0.00 31.44 30.10 2pqi n GLU 70 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pqi s LEU 71 N -2.77 2.17 0.33 -4.62 1.43 -1.26 -5.10 118.68 108.86 2pqi s LEU 71 Ca 0.01 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2pqi s LEU 71 Cb 0.06 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 2pqi s LEU 71 CO 0.34 0.08 -0.03 0.26 0.23 0.00 0.00 176.35 177.22 2pqi s TRP 72 N 0.85 2.20 -0.26 0.29 0.52 -1.26 -2.11 118.94 119.17 2pqi s TRP 72 Ca -0.06 -0.68 -0.03 0.00 0.02 0.00 0.00 56.10 55.35 2pqi s TRP 72 Cb -0.15 -1.36 0.09 0.00 -1.15 0.00 0.00 33.47 30.89 2pqi s TRP 72 CO -0.02 0.36 0.10 -1.17 0.02 0.00 0.00 176.95 176.23 2pqi s LEU 73 N -3.55 1.08 -0.47 2.99 2.96 -0.29 -3.74 118.68 117.66 2pqi s LEU 73 Ca 0.33 -1.18 -0.14 0.00 -0.22 0.00 0.00 54.13 52.91 2pqi s LEU 73 Cb 0.06 -0.52 0.08 0.00 0.50 0.00 0.00 46.19 46.31 2pqi s LEU 73 CO 0.15 -0.39 0.37 -0.31 -1.32 0.00 0.00 176.35 174.85 2pqi s TYR 74 N 1.93 3.27 -0.17 5.38 1.51 -1.17 -2.27 117.35 125.84 2pqi s TYR 74 Ca 0.06 -1.13 -0.03 0.00 -1.01 0.00 0.00 57.07 54.97 2pqi s TYR 74 Cb -0.17 -3.20 -0.02 0.00 -0.11 0.00 0.00 41.96 38.47 2pqi s TYR 74 CO -0.24 -0.84 -0.07 0.95 -1.11 0.00 0.00 175.55 174.25 2pqi s THR 75 N 1.58 3.47 -0.21 -0.71 -4.23 -1.03 -1.00 115.64 113.52 2pqi s THR 75 Ca 0.04 -0.49 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 2pqi s THR 75 Cb -0.25 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 2pqi s THR 75 CO 0.05 0.48 0.18 -0.70 -0.54 0.00 0.00 174.62 174.09 2pqi s GLU 76 N 0.71 4.16 -0.26 3.99 2.12 -1.26 -0.53 118.70 127.63 2pqi s GLU 76 Ca -0.03 -0.17 -0.08 0.00 0.36 0.00 0.00 54.97 55.05 2pqi s GLU 76 Cb -0.15 -3.47 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 2pqi s GLU 76 CO 0.02 0.20 0.09 -0.51 -0.54 0.00 0.00 175.26 174.52 2pqi s LEU 77 N 0.65 3.59 -0.27 2.70 1.43 -0.65 -1.02 118.68 125.12 2pqi s LEU 77 Ca 0.10 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2pqi s LEU 77 Cb -0.12 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.18 2pqi s LEU 77 CO 0.01 -0.07 -0.02 -0.75 0.23 0.00 0.00 176.35 175.76 2pqi s LYS 78 N 1.62 2.83 -0.01 1.70 2.20 0.18 -2.27 119.74 125.99 2pqi s LYS 78 Ca 0.06 -0.99 0.05 0.00 -0.36 0.00 0.00 55.97 54.73 2pqi s LYS 78 Cb -0.16 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 2pqi s LYS 78 CO 0.04 -0.44 -0.17 0.95 -0.36 0.00 0.00 175.35 175.37 2pqi s THR 79 N 1.35 2.87 0.58 3.43 -4.23 -0.31 0.29 115.64 119.63 2pqi s THR 79 Ca -0.00 -0.93 0.34 0.00 -1.18 0.00 0.00 61.69 59.91 2pqi s THR 79 Cb -0.17 -2.14 0.49 0.00 1.34 0.00 0.00 72.50 72.01 2pqi s THR 79 CO -0.02 0.49 1.57 0.03 -0.54 0.00 0.00 174.62 176.15 2pqi h ARG 80 N 5.04 0.00 0.00 3.99 3.08 -1.96 -0.17 114.38 124.37 2pqi h ARG 80 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2pqi h ARG 80 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2pqi h ARG 80 CO 0.49 0.00 0.00 2.41 -1.07 0.00 0.00 179.97 181.80 2pqi n THR 81 N -3.63 0.00 -3.42 2.04 -1.04 -1.26 -5.05 114.28 101.91 2pqi n THR 81 Ca 0.25 0.53 0.00 0.00 -2.04 0.00 0.00 64.05 62.79 2pqi n THR 81 Cb 1.39 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 2pqi n THR 81 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2pqi n SER 82 N -1.88 0.89 -3.62 8.00 2.88 -0.08 -5.15 113.62 114.66 2pqi n SER 82 Ca 0.00 -0.42 -0.04 0.00 -1.33 0.00 0.00 58.87 57.08 2pqi n SER 82 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 0.16 -0.21 0.12 -3.46 1.04 -1.26 -1.17 113.70 108.93 2pqi s SER 83 Ca 0.00 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 2pqi s SER 83 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 2pqi s SER 83 CO 0.00 -0.59 0.05 0.27 0.98 0.00 0.00 173.24 173.95 2pqi s ILE 84 N -2.93 0.11 -0.17 -1.02 -4.36 -0.96 -3.83 121.20 108.03 2pqi s ILE 84 Ca 0.10 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 2pqi s ILE 84 Cb -0.00 -1.99 0.03 0.00 1.25 0.00 0.00 42.46 41.75 2pqi s ILE 84 CO -0.04 -0.51 -0.14 -0.89 0.24 0.00 0.00 174.94 173.60 2pqi s THR 85 N -4.03 1.71 0.29 8.37 2.01 -0.52 -1.64 115.64 121.83 2pqi s THR 85 Ca 0.22 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 2pqi s THR 85 Cb 0.07 -1.65 -0.09 0.00 0.01 0.00 0.00 72.50 70.84 2pqi s THR 85 CO 0.01 0.38 0.92 -0.76 -0.69 0.00 0.00 174.62 174.47 2pqi s LEU 86 N 1.41 4.41 -0.34 4.42 1.43 0.31 -0.26 118.68 130.05 2pqi s LEU 86 Ca 0.03 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 2pqi s LEU 86 Cb -0.14 -3.87 0.09 0.00 0.03 0.00 0.00 46.19 42.30 2pqi s LEU 86 CO -0.10 -0.00 0.07 0.00 0.23 0.00 0.00 176.35 176.55 2pqi s ALA 87 N -1.50 2.93 -0.24 4.21 0.00 -0.89 -2.47 121.76 123.80 2pqi s ALA 87 Ca 0.47 -2.26 0.02 0.00 0.00 0.00 0.00 51.96 50.20 2pqi s ALA 87 Cb -0.20 -2.07 0.05 0.00 0.00 0.00 0.00 23.12 20.89 2pqi s ALA 87 CO 0.25 -1.57 -0.13 0.42 0.00 0.00 0.00 175.76 174.73 2pqi s ILE 88 N 1.09 2.17 -0.03 0.00 1.01 -0.96 -0.45 121.20 124.04 2pqi s ILE 88 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 60.65 58.94 2pqi s ILE 88 Cb -0.21 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 2pqi s ILE 88 CO -0.05 0.12 1.50 0.00 0.00 0.00 0.00 174.94 176.51 2pqi s ARG 89 N 1.16 4.23 0.01 2.79 1.70 -1.15 -1.14 118.95 126.55 2pqi s ARG 89 Ca -0.05 2.05 -0.03 0.00 -0.47 0.00 0.00 55.73 57.22 2pqi s ARG 89 Cb -0.18 -3.73 -0.01 0.00 -0.57 0.00 0.00 34.95 30.45 2pqi s ARG 89 CO -0.07 -0.70 1.05 0.52 -1.08 0.00 0.00 175.30 175.02 2pqi h MET 90 N 8.49 -0.06 -0.44 3.89 2.86 -1.74 0.17 114.93 128.10 2pqi h MET 90 Ca -0.37 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.35 2pqi h MET 90 Cb 1.17 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.76 2pqi h MET 90 CO 0.93 -0.04 -0.12 -0.40 1.06 0.00 0.00 176.91 178.34 2pqi n ASP 91 N -2.80 -0.18 -0.51 1.22 5.68 -1.26 0.33 116.55 119.03 2pqi n ASP 91 Ca -0.01 0.76 0.07 0.00 -0.50 0.00 0.00 54.79 55.11 2pqi n ASP 91 Cb 0.04 -0.22 0.16 0.00 -1.14 0.00 0.00 41.12 39.96 2pqi n ASP 91 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2pqi n ASN 92 N -4.71 1.77 -4.37 -1.12 0.23 -1.23 -4.49 115.26 101.34 2pqi n ASN 92 Ca 0.07 -3.42 -0.37 0.00 -0.53 0.00 0.00 54.58 50.33 2pqi n ASN 92 Cb 0.21 -0.47 -0.07 0.00 -2.08 0.00 0.00 39.78 37.37 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 -1.03 -1.14 -4.09 -4.53 4.77 1.01 -4.88 117.00 107.11 2pqi n LEU 93 Ca 0.16 -1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 54.64 2pqi n LEU 93 Cb 0.71 -1.73 -0.17 0.00 -2.33 0.00 0.00 43.42 39.91 2pqi n LEU 93 CO -0.02 0.28 -0.51 -0.47 -1.33 0.00 0.00 177.39 175.33 2pqi s TYR 94 N -3.68 2.23 -0.17 -1.77 5.04 -0.96 -4.74 117.35 113.30 2pqi s TYR 94 Ca 0.48 -1.10 -0.29 0.00 -2.44 0.00 0.00 57.07 53.73 2pqi s TYR 94 Cb -0.28 -1.57 -0.05 0.00 0.35 0.00 0.00 41.96 40.41 2pqi s TYR 94 CO 0.99 -0.54 1.89 -1.17 -1.34 0.00 0.00 175.55 175.38 2pqi s LEU 95 N 0.97 3.87 -0.12 6.97 2.96 -1.26 -2.94 118.68 129.13 2pqi s LEU 95 Ca -0.06 1.93 -0.24 0.00 -0.22 0.00 0.00 54.13 55.54 2pqi s LEU 95 Cb -0.15 -3.52 -0.27 0.00 0.50 0.00 0.00 46.19 42.75 2pqi s LEU 95 CO -0.03 -1.44 0.71 0.58 -1.32 0.00 0.00 176.35 174.85 2pqi h VAL 96 N 6.36 1.49 -0.40 1.68 2.07 -1.14 -3.46 116.25 122.84 2pqi h VAL 96 Ca -0.40 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 64.73 2pqi h VAL 96 Cb 1.20 3.09 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 2pqi h VAL 96 CO 0.98 0.62 0.00 0.61 0.02 0.00 0.00 177.57 179.79 2pqi n GLY 97 N 1.62 2.02 3.48 2.17 0.00 -1.20 -0.36 105.19 112.93 2pqi n GLY 97 Ca -0.16 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.15 -0.54 -0.17 1.61 -0.12 0.33 -2.10 117.98 114.84 2pqi s PHE 98 Ca 0.00 0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 57.49 2pqi s PHE 98 Cb 0.00 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 2pqi s PHE 98 CO 0.00 -0.67 -0.02 0.50 -0.05 0.00 0.00 175.22 174.98 2pqi s ARG 99 N -2.43 3.68 0.76 1.99 3.52 0.64 -0.82 118.95 126.29 2pqi s ARG 99 Ca -0.03 -0.51 -0.12 0.00 -0.13 0.00 0.00 55.73 54.94 2pqi s ARG 99 Cb -0.01 -2.97 0.05 0.00 -1.56 0.00 0.00 34.95 30.46 2pqi s ARG 99 CO -0.02 0.19 1.14 0.95 -0.81 0.00 0.00 175.30 176.74 2pqi s THR 100 N 0.51 2.77 -1.29 4.11 -4.23 0.62 -1.44 115.64 116.69 2pqi s THR 100 Ca -0.02 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.89 2pqi s THR 100 Cb -0.14 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 70.68 2pqi s THR 100 CO 0.02 -0.33 1.46 -2.65 -0.54 0.00 0.00 174.62 172.58 2pqi n PRO 101 N -3.16 0.15 -0.12 3.99 -0.02 -1.25 -2.09 135.00 132.50 2pqi n PRO 101 Ca 0.07 0.17 0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2pqi n PRO 101 Cb 0.59 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.86 2pqi n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pqi n GLY 102 N 0.05 0.98 1.15 -1.23 0.00 -1.26 -4.92 105.19 99.95 2pqi n GLY 102 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.32 0.67 3.75 -0.02 0.00 -0.89 -5.06 105.19 104.96 2pqi n GLY 103 Ca 0.17 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 5.32 -0.15 1.61 1.01 -1.25 -4.88 120.40 120.06 2pqi s VAL 104 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 2pqi s VAL 104 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2pqi s VAL 104 CO 0.00 0.44 0.06 0.26 0.00 0.00 0.00 175.10 175.86 2pqi s TRP 105 N 0.17 3.30 -0.16 5.22 0.52 -1.26 -0.27 118.94 126.45 2pqi s TRP 105 Ca 0.16 0.18 0.01 0.00 0.02 0.00 0.00 56.10 56.47 2pqi s TRP 105 Cb -0.13 -1.99 0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2pqi s TRP 105 CO 0.04 0.33 -0.19 -1.58 0.02 0.00 0.00 176.95 175.57 2pqi s TRP 106 N -0.15 2.75 -0.11 -1.98 0.52 -0.00 -0.86 118.94 119.11 2pqi s TRP 106 Ca 0.07 -1.33 0.03 0.00 0.02 0.00 0.00 56.10 54.89 2pqi s TRP 106 Cb -0.12 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.31 2pqi s TRP 106 CO 0.01 -0.63 -0.21 -2.00 0.02 0.00 0.00 176.95 174.14 2pqi s GLU 107 N 1.00 3.14 0.14 4.98 2.12 -0.81 -0.51 118.70 128.75 2pqi s GLU 107 Ca -0.02 -0.82 -0.34 0.00 0.36 0.00 0.00 54.97 54.14 2pqi s GLU 107 Cb -0.15 -2.41 -0.16 0.00 0.26 0.00 0.00 34.13 31.68 2pqi s GLU 107 CO -0.05 0.16 1.27 1.19 -0.54 0.00 0.00 175.26 177.30 2pqi n PHE 108 N 3.60 1.48 0.00 5.30 0.99 0.51 -2.40 117.46 126.94 2pqi n PHE 108 Ca -0.19 0.63 0.00 0.00 -0.00 0.00 0.00 57.45 57.89 2pqi n PHE 108 Cb 0.53 -2.32 0.00 0.00 -1.00 0.00 0.00 39.48 36.68 2pqi n PHE 108 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2pqi n GLY 109 N 2.31 0.64 3.30 1.37 0.00 -0.56 -4.85 105.19 107.41 2pqi n GLY 109 Ca 0.16 -2.10 -0.18 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.00 1.73 0.22 1.61 -2.85 -1.26 0.17 119.74 118.36 2pqi s LYS 110 Ca 0.00 -1.95 -0.31 0.00 -1.00 0.00 0.00 55.97 52.71 2pqi s LYS 110 Cb 0.00 0.34 -0.11 0.00 -2.06 0.00 0.00 37.83 36.00 2pqi s LYS 110 CO 0.00 -0.64 1.56 -0.51 0.10 0.00 0.00 175.35 175.86 2pqi s ASP 111 N -3.34 6.52 0.00 0.03 -0.00 -1.26 -2.45 116.67 116.18 2pqi s ASP 111 Ca 0.39 2.74 0.00 0.00 -0.00 0.00 0.00 52.55 55.69 2pqi s ASP 111 Cb 0.02 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.33 2pqi s ASP 111 CO 0.25 -0.83 0.00 0.61 -0.00 0.00 0.00 175.17 175.20 2pqi n GLY 112 N 3.01 1.85 3.80 0.21 0.00 -1.26 -5.09 105.19 107.71 2pqi n GLY 112 Ca 0.11 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.38 4.36 -0.23 1.61 -0.00 -1.03 -5.03 116.67 115.98 2pqi s ASP 113 Ca 0.00 1.29 -0.15 0.00 -0.00 0.00 0.00 52.55 53.69 2pqi s ASP 113 Cb 0.00 -2.01 -0.04 0.00 -0.00 0.00 0.00 42.92 40.87 2pqi s ASP 113 CO 0.00 -2.05 0.39 -0.89 -0.00 0.00 0.00 175.17 172.62 2pqi s THR 114 N -3.15 5.19 0.31 -1.27 2.01 -1.26 -5.00 115.64 112.47 2pqi s THR 114 Ca 0.61 0.66 -0.29 0.00 0.31 0.00 0.00 61.69 62.98 2pqi s THR 114 Cb -0.15 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 2pqi s THR 114 CO 0.54 0.22 1.30 -1.00 -0.69 0.00 0.00 174.62 174.99 2pqi s HIS 115 N 1.56 3.11 -0.08 4.92 3.76 -1.26 -4.91 115.29 122.39 2pqi s HIS 115 Ca 0.17 1.40 0.17 0.00 -0.15 0.00 0.00 55.06 56.66 2pqi s HIS 115 Cb -0.15 -3.65 -0.25 0.00 1.11 0.00 0.00 32.58 29.64 2pqi s HIS 115 CO 0.08 -1.79 0.26 1.28 -0.85 0.00 0.00 174.74 173.73 2pqi n LEU 116 N 1.08 0.00 -4.88 0.89 4.77 -1.26 -4.99 117.00 112.61 2pqi n LEU 116 Ca 0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 2pqi n LEU 116 Cb 0.42 0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2pqi n LEU 116 CO 0.59 0.16 0.34 -0.76 -1.33 0.00 0.00 177.39 176.39 2pqi s LEU 117 N -4.64 3.95 0.00 2.23 1.43 -1.26 -5.01 118.68 115.37 2pqi s LEU 117 Ca -0.07 0.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2pqi s LEU 117 Cb 0.09 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.52 2pqi s LEU 117 CO 0.73 -0.30 0.26 0.61 0.23 0.00 0.00 176.35 177.88 2pqi n GLY 118 N -1.04 1.92 3.33 -3.19 0.00 -1.26 -4.64 105.19 100.30 2pqi n GLY 118 Ca 0.01 -2.16 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.79 -3.79 -3.70 1.61 9.92 -1.26 -4.11 116.55 112.44 2pqi n ASP 119 Ca 0.05 -0.65 -0.22 0.00 -0.53 0.00 0.00 54.79 53.45 2pqi n ASP 119 Cb 0.19 -5.10 0.00 0.00 -0.64 0.00 0.00 41.12 35.58 2pqi n ASP 119 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2pqi n ASN 120 N -3.14 -5.21 -4.77 -2.24 5.03 -1.26 -4.74 115.26 98.92 2pqi n ASN 120 Ca -0.20 -0.83 -0.38 0.00 0.87 0.00 0.00 54.58 54.04 2pqi n ASN 120 Cb 0.65 -2.09 -0.05 0.00 -1.02 0.00 0.00 39.78 37.26 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 -4.63 4.52 -0.17 3.52 0.04 -1.26 -4.67 135.00 132.37 2pqi s PRO 121 Ca 0.02 1.48 -0.05 0.00 0.04 0.00 0.00 61.00 62.48 2pqi s PRO 121 Cb -0.00 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 2pqi s PRO 121 CO 0.88 0.19 0.00 1.03 0.04 0.00 0.00 177.00 179.15 2pqi s ARG 122 N -1.95 3.79 0.60 4.56 3.00 -0.04 -4.94 118.95 123.97 2pqi s ARG 122 Ca 0.50 -0.44 -0.19 0.00 0.00 0.00 0.00 55.73 55.59 2pqi s ARG 122 Cb -0.23 -3.04 -0.03 0.00 0.00 0.00 0.00 34.95 31.65 2pqi s ARG 122 CO 0.29 0.26 1.27 -1.58 0.00 0.00 0.00 175.30 175.54 2pqi s TRP 123 N 0.34 2.27 -0.10 -0.53 0.52 -1.26 -1.93 118.94 118.25 2pqi s TRP 123 Ca -0.01 1.47 0.15 0.00 0.02 0.00 0.00 56.10 57.73 2pqi s TRP 123 Cb -0.13 -3.63 -0.11 0.00 -1.15 0.00 0.00 33.47 28.44 2pqi s TRP 123 CO 0.02 -2.60 0.96 -0.07 0.02 0.00 0.00 176.95 175.28 2pqi h LEU 124 N 0.95 0.00 0.00 2.99 3.38 -1.45 -3.45 115.31 117.74 2pqi h LEU 124 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2pqi h LEU 124 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2pqi h LEU 124 CO 0.55 0.64 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2pqi n GLY 125 N 1.38 0.61 3.44 0.83 0.00 0.13 -4.64 105.19 106.93 2pqi n GLY 125 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 -0.52 0.93 1.61 -0.12 -0.99 -4.50 117.98 112.11 2pqi s PHE 126 Ca 0.00 0.96 -0.12 0.00 -0.05 0.00 0.00 56.93 57.72 2pqi s PHE 126 Cb 0.00 0.29 0.15 0.00 -0.63 0.00 0.00 43.02 42.83 2pqi s PHE 126 CO 0.00 -0.50 1.10 0.20 -0.05 0.00 0.00 175.22 175.96 2pqi s GLY 127 N -0.99 1.60 -0.47 1.99 0.00 -1.26 -1.50 107.32 106.68 2pqi s GLY 127 Ca -0.10 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.44 2pqi s GLY 127 CO 0.07 0.32 1.67 0.61 0.00 0.00 0.00 173.10 175.78 2pqi n GLY 128 N -1.23 5.80 3.98 0.20 0.00 -1.26 -4.54 105.19 108.13 2pqi n GLY 128 Ca 0.06 -2.17 -0.21 0.00 0.00 0.00 0.00 46.02 43.71 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 -3.63 2.90 0.33 1.61 0.52 -1.26 -4.90 118.95 114.52 2pqi s ARG 129 Ca 0.57 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 55.04 2pqi s ARG 129 Cb 0.46 -2.63 0.57 0.00 0.52 0.00 0.00 34.95 33.87 2pqi s ARG 129 CO 0.02 -0.31 1.79 1.88 0.02 0.00 0.00 175.30 178.70 2pqi h TYR 130 N 0.47 0.31 -0.78 -0.53 0.05 -1.93 -2.80 116.97 111.75 2pqi h TYR 130 Ca -0.44 -0.06 0.09 0.00 0.05 0.00 0.00 58.73 58.37 2pqi h TYR 130 Cb 1.27 -0.08 -0.07 0.00 1.01 0.00 0.00 36.73 38.86 2pqi h TYR 130 CO 0.42 0.53 0.44 0.37 -1.05 0.00 0.00 178.16 178.87 2pqi h GLN 131 N 0.25 0.73 0.08 4.88 4.15 -1.93 0.53 115.11 123.81 2pqi h GLN 131 Ca 0.04 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.16 2pqi h GLN 131 Cb 0.62 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2pqi h GLN 131 CO 0.04 0.48 -1.13 -0.44 -1.93 0.00 0.00 178.83 175.85 2pqi h ASP 132 N 0.75 0.43 0.60 -0.69 3.32 -1.77 0.88 116.42 119.94 2pqi h ASP 132 Ca 0.37 -0.42 -0.28 0.00 0.02 0.00 0.00 57.03 56.73 2pqi h ASP 132 Cb 0.33 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2pqi h ASP 132 CO -0.24 1.29 -1.49 -0.07 -1.72 0.00 0.00 179.24 177.01 2pqi h LEU 133 N 0.11 0.12 -2.10 1.55 3.38 -1.28 -3.40 115.31 113.69 2pqi h LEU 133 Ca -0.11 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2pqi h LEU 133 Cb 1.83 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2pqi h LEU 133 CO 0.19 1.17 -0.09 2.30 0.09 0.00 0.00 178.44 182.10 2pqi n ILE 134 N -3.26 0.60 0.00 1.22 -5.35 0.16 -4.54 119.36 108.19 2pqi n ILE 134 Ca -0.13 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 2pqi n ILE 134 Cb 1.02 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 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 -0.37 3.62 0.86 3.28 0.00 0.30 -1.32 105.19 111.56 2pqi n GLY 135 Ca 0.02 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 9.76 2.98 -4.82 1.61 0.23 -1.26 -4.02 115.26 119.74 2pqi n ASN 136 Ca 0.00 -3.38 -0.33 0.00 -0.53 0.00 0.00 54.58 50.35 2pqi n ASN 136 Cb 0.00 -0.56 -0.02 0.00 -2.08 0.00 0.00 39.78 37.11 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 -3.03 3.73 0.56 -3.83 1.02 -0.44 -5.04 119.74 112.71 2pqi s LYS 137 Ca 0.41 1.14 -0.11 0.00 0.02 0.00 0.00 55.97 57.44 2pqi s LYS 137 Cb 0.36 -2.10 -0.05 0.00 -0.52 0.00 0.00 37.83 35.53 2pqi s LYS 137 CO 0.04 -0.46 0.95 0.20 -0.92 0.00 0.00 175.35 175.15 2pqi s GLY 138 N -2.66 1.72 0.53 -3.33 0.00 -1.26 -4.96 107.32 97.35 2pqi s GLY 138 Ca 0.62 -0.14 0.34 0.00 0.00 0.00 0.00 44.72 45.54 2pqi s GLY 138 CO 0.29 0.10 1.99 1.41 0.00 0.00 0.00 173.10 176.89 2pqi h LEU 139 N 0.13 0.00 -1.15 0.66 4.07 -1.94 -2.53 115.31 114.56 2pqi h LEU 139 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 2pqi h LEU 139 Cb 1.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2pqi h LEU 139 CO 0.62 0.00 0.00 1.05 -1.08 0.00 0.00 178.44 179.03 2pqi h GLU 140 N 0.00 0.00 -0.20 1.13 9.09 -1.87 -1.90 114.58 120.84 2pqi h GLU 140 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2pqi h GLU 140 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 2pqi h GLU 140 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 2pqi n THR 141 N -2.57 0.25 -3.64 -1.06 -2.24 -0.95 -4.68 114.28 99.39 2pqi n THR 141 Ca 0.01 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 2pqi n THR 141 Cb 0.23 0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 2pqi n THR 141 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pqi s VAL 142 N -1.75 4.18 0.14 2.28 1.01 -0.71 -5.06 120.40 120.50 2pqi s VAL 142 Ca 0.12 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 2pqi s VAL 142 Cb 0.06 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2pqi s VAL 142 CO 0.08 -0.39 1.17 -0.89 0.00 0.00 0.00 175.10 175.07 2pqi s THR 143 N 1.44 3.79 0.40 3.92 2.01 -1.26 -4.69 115.64 121.24 2pqi s THR 143 Ca 0.02 1.44 0.03 0.00 0.31 0.00 0.00 61.69 63.49 2pqi s THR 143 Cb -0.22 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2pqi s THR 143 CO 0.03 0.20 0.09 -0.04 -0.69 0.00 0.00 174.62 174.21 2pqi s MET 144 N 0.13 1.88 0.00 4.92 -1.94 -0.55 -4.90 119.30 118.84 2pqi s MET 144 Ca 0.54 -2.13 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 2pqi s MET 144 Cb -0.31 -0.84 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2pqi s MET 144 CO 0.34 -0.36 0.00 0.41 -0.01 0.00 0.00 175.02 175.39 2pqi n GLY 145 N -0.89 3.22 0.24 -0.03 0.00 -1.26 -1.94 105.19 104.53 2pqi n GLY 145 Ca -0.07 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 0.49 -0.19 1.61 2.43 -1.68 0.17 114.38 117.22 2pqi h ARG 146 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2pqi h ARG 146 Cb 0.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2pqi h ARG 146 CO 0.00 0.32 0.09 0.00 -1.51 0.00 0.00 179.97 178.88 2pqi h ALA 147 N 1.39 0.24 -0.69 2.80 0.00 -1.91 -1.59 119.26 119.50 2pqi h ALA 147 Ca 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2pqi h ALA 147 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2pqi h ALA 147 CO -0.26 -0.21 0.38 0.93 0.00 0.00 0.00 179.25 180.10 2pqi h GLU 148 N 0.18 0.95 -0.29 0.00 4.39 -1.65 -2.23 114.58 115.94 2pqi h GLU 148 Ca 0.07 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2pqi h GLU 148 Cb 0.10 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2pqi h GLU 148 CO -0.01 0.70 -0.13 1.98 -1.16 0.00 0.00 179.01 180.39 2pqi h MET 149 N 0.96 0.60 0.33 2.33 4.05 -0.47 -1.50 114.93 121.23 2pqi h MET 149 Ca 0.25 -0.26 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2pqi h MET 149 Cb 0.02 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 2pqi h MET 149 CO -0.04 0.83 -0.34 1.15 0.23 0.00 0.00 176.91 178.74 2pqi h THR 150 N 0.35 0.29 -0.65 -0.77 2.02 -1.08 0.73 112.91 113.81 2pqi h THR 150 Ca 0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 2pqi h THR 150 Cb 0.64 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2pqi h THR 150 CO 0.04 0.00 0.43 0.03 0.37 0.00 0.00 175.52 176.39 2pqi h ARG 151 N -0.70 0.61 -0.39 6.66 3.08 -1.43 -1.10 114.38 121.10 2pqi h ARG 151 Ca -0.02 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 2pqi h ARG 151 Cb 0.64 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2pqi h ARG 151 CO -0.07 0.40 0.06 0.00 -1.07 0.00 0.00 179.97 179.29 2pqi h ALA 152 N 1.65 0.51 0.52 0.04 0.00 -0.34 -1.87 119.26 119.78 2pqi h ALA 152 Ca 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2pqi h ALA 152 Cb 0.31 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2pqi h ALA 152 CO -0.09 0.23 -0.25 0.28 0.00 0.00 0.00 179.25 179.42 2pqi h VAL 153 N 0.49 0.12 -0.79 0.00 2.07 -0.21 -0.82 116.25 117.11 2pqi h VAL 153 Ca 0.12 -0.49 0.17 0.00 0.82 0.00 0.00 66.70 67.32 2pqi h VAL 153 Cb 0.37 0.19 -0.14 0.00 -1.52 0.00 0.00 31.29 30.18 2pqi h VAL 153 CO 0.01 0.02 -0.10 0.78 0.02 0.00 0.00 177.57 178.30 2pqi h ASN 154 N -1.14 -0.56 0.08 0.57 -0.26 -1.29 1.03 115.58 114.01 2pqi h ASN 154 Ca -0.07 0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.89 2pqi h ASN 154 Cb 0.58 0.43 0.00 0.00 -1.06 0.00 0.00 38.32 38.27 2pqi h ASN 154 CO 0.12 -0.24 -0.04 0.44 -1.06 0.00 0.00 177.43 176.65 2pqi h ASP 155 N 0.04 -0.10 -0.64 5.81 3.32 -1.39 -3.07 116.42 120.39 2pqi h ASP 155 Ca 0.41 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.22 2pqi h ASP 155 Cb 0.68 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.22 2pqi h ASP 155 CO -0.76 0.23 0.42 -0.07 -1.72 0.00 0.00 179.24 177.34 2pqi h LEU 156 N -0.43 0.62 -2.21 1.55 3.38 0.53 -0.84 115.31 117.90 2pqi h LEU 156 Ca -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2pqi h LEU 156 Cb 0.37 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2pqi h LEU 156 CO 0.02 0.42 -0.05 0.00 0.09 0.00 0.00 178.44 178.92 2pqi h ALA 157 N 1.64 1.18 0.17 1.53 0.00 0.11 -3.04 119.26 120.85 2pqi h ALA 157 Ca 0.26 -0.05 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 2pqi h ALA 157 Cb 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.94 2pqi h ALA 157 CO -0.08 0.06 -1.34 0.87 0.00 0.00 0.00 179.25 178.77 2pqi h LYS 158 N 0.00 0.36 -5.31 0.00 1.57 -1.07 -3.38 116.57 108.73 2pqi h LYS 158 Ca -0.00 -0.61 -0.77 0.00 -1.87 0.00 0.00 60.65 57.39 2pqi h LYS 158 Cb 0.23 0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.77 2pqi h LYS 158 CO 0.01 1.29 0.63 1.17 -0.57 0.00 0.00 179.45 181.98 2pqi n LYS 159 N -3.59 0.00 -0.00 3.15 4.81 -1.15 -4.86 118.16 116.51 2pqi n LYS 159 Ca -0.12 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.36 2pqi n LYS 159 Cb 1.05 -1.33 -0.06 0.00 0.02 0.00 0.00 35.03 34.72 2pqi n LYS 159 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2pqi n LYS 160 N 3.65 1.82 -3.81 1.64 5.02 -1.26 -4.99 118.16 120.22 2pqi n LYS 160 Ca 0.28 -0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 56.49 2pqi n LYS 160 Cb -0.05 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2pqi n LYS 160 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqi s LYS 161 N -2.26 1.30 0.00 1.97 2.20 -1.26 -5.19 119.74 116.51 2pqi s LYS 161 Ca -0.01 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 2pqi s LYS 161 Cb 0.06 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 2pqi s LYS 161 CO 0.34 -0.60 0.00 -1.33 -0.36 0.00 0.00 175.35 173.39 2pqi n MET 162 N -0.58 0.00 -3.26 4.03 2.00 -1.26 -5.17 117.12 112.87 2pqi n MET 162 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.42 2pqi n MET 162 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.84 2pqi n MET 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2pqi n GLN 191 N 0.00 -4.19 0.00 0.03 1.13 -1.26 -4.83 117.38 108.26 2pqi n GLN 191 Ca 0.00 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.72 2pqi n GLN 191 Cb 0.00 -5.44 0.00 0.00 0.11 0.00 0.00 30.24 24.91 2pqi n GLN 191 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pqi n ALA 192 N -3.63 0.00 1.37 -1.58 0.00 -1.26 -5.03 120.51 110.38 2pqi n ALA 192 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2pqi n ALA 192 Cb 0.57 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.45 2pqi n ALA 192 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2pqi n ASP 193 N 0.00 1.41 -0.17 0.00 5.68 -1.26 -3.90 116.55 118.31 2pqi n ASP 193 Ca 0.00 -1.63 0.15 0.00 -0.50 0.00 0.00 54.79 52.81 2pqi n ASP 193 Cb 0.00 -0.08 0.70 0.00 -1.14 0.00 0.00 41.12 40.60 2pqi n ASP 193 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2pqi n THR 194 N 0.14 0.00 0.02 2.12 -1.04 -1.26 -3.62 114.28 110.65 2pqi n THR 194 Ca 0.16 -0.09 -0.19 0.00 -2.04 0.00 0.00 64.05 61.90 2pqi n THR 194 Cb 0.30 -0.08 -0.12 0.00 -1.82 0.00 0.00 70.33 68.60 2pqi n THR 194 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2pqi h LYS 195 N 0.81 0.40 0.12 -2.82 1.57 -1.90 -2.91 116.57 111.83 2pqi h LYS 195 Ca 0.00 -0.50 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 2pqi h LYS 195 Cb 0.28 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2pqi h LYS 195 CO 0.00 1.17 -0.14 1.03 -0.57 0.00 0.00 179.45 180.94 2pqi h SER 196 N -0.15 -0.37 0.02 0.86 0.87 -1.80 -1.23 113.55 111.75 2pqi h SER 196 Ca -0.10 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 2pqi h SER 196 Cb 1.46 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 2pqi h SER 196 CO 0.14 -0.21 -0.14 0.11 -0.53 0.00 0.00 176.83 176.20 2pqi h LYS 197 N -0.29 0.26 -0.00 2.24 1.79 -1.70 -2.90 116.57 115.97 2pqi h LYS 197 Ca 0.01 -0.06 -0.21 0.00 -2.18 0.00 0.00 60.65 58.21 2pqi h LYS 197 Cb 0.29 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2pqi h LYS 197 CO -0.05 0.41 -0.90 -0.07 -1.08 0.00 0.00 179.45 177.75 2pqi h LEU 198 N 0.25 0.42 -1.17 2.94 3.38 -1.27 -3.15 115.31 116.70 2pqi h LEU 198 Ca 0.05 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2pqi h LEU 198 Cb 0.40 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pqi h LEU 198 CO 0.02 1.13 0.00 1.62 0.09 0.00 0.00 178.44 181.30 2pqi h VAL 199 N 0.18 0.00 0.01 1.22 3.04 -1.03 -1.87 116.25 117.81 2pqi h VAL 199 Ca -0.06 -0.50 -0.23 0.00 -1.01 0.00 0.00 66.70 64.89 2pqi h VAL 199 Cb 1.53 1.46 0.02 0.00 -2.01 0.00 0.00 31.29 32.29 2pqi h VAL 199 CO 0.15 0.00 -0.91 0.11 -1.01 0.00 0.00 177.57 175.91 2pqi h LYS 200 N 0.00 0.60 -0.27 4.17 1.57 -1.50 -2.94 116.57 118.19 2pqi h LYS 200 Ca 0.00 -0.66 -0.18 0.00 -1.87 0.00 0.00 60.65 57.95 2pqi h LYS 200 Cb 0.53 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 2pqi h LYS 200 CO 0.00 1.26 -0.53 -0.07 -0.57 0.00 0.00 179.45 179.54 2pqi h LEU 201 N 0.21 0.88 -1.21 2.94 3.38 -1.52 -2.39 115.31 117.61 2pqi h LEU 201 Ca -0.12 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.40 2pqi h LEU 201 Cb 1.59 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 2pqi h LEU 201 CO 0.18 1.24 0.54 0.58 0.09 0.00 0.00 178.44 181.07 2pqi h VAL 202 N 0.62 1.18 0.07 1.22 2.07 -1.40 0.20 116.25 120.20 2pqi h VAL 202 Ca 0.02 -0.37 -0.23 0.00 0.82 0.00 0.00 66.70 66.94 2pqi h VAL 202 Cb 1.12 0.01 0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2pqi h VAL 202 CO 0.11 0.20 -0.95 0.58 0.02 0.00 0.00 177.57 177.53 2pqi h VAL 203 N 1.07 1.36 0.00 2.57 2.07 -1.48 -1.35 116.25 120.50 2pqi h VAL 203 Ca 0.31 -2.31 -0.10 0.00 0.82 0.00 0.00 66.70 65.41 2pqi h VAL 203 Cb -0.07 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2pqi h VAL 203 CO -0.08 0.69 -0.49 0.24 0.02 0.00 0.00 177.57 177.96 2pqi h MET 204 N 0.08 0.00 0.00 1.57 2.07 -1.16 -2.77 114.93 114.72 2pqi h MET 204 Ca -0.14 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 2pqi h MET 204 Cb 1.65 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.38 2pqi h MET 204 CO 0.18 0.49 -0.69 0.28 1.07 0.00 0.00 176.91 178.25 2pqi n VAL 205 N -3.61 1.36 0.38 -2.22 0.31 0.66 -4.20 118.33 111.01 2pqi n VAL 205 Ca -0.00 0.22 -0.15 0.00 -0.01 0.00 0.00 64.34 64.40 2pqi n VAL 205 Cb 0.57 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.99 0.00 -0.60 0.00 4.39 -1.47 -2.07 114.58 113.85 2pqi h GLU 207 Ca -0.10 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2pqi h GLU 207 Cb 0.74 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2pqi h GLU 207 CO 0.16 0.17 0.26 0.78 -1.16 0.00 0.00 179.01 179.22 2pqi h GLY 208 N 0.59 0.95 1.13 -3.84 0.00 -1.28 0.25 103.07 100.87 2pqi h GLY 208 Ca -0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2pqi h GLY 208 CO 0.02 0.47 -0.10 1.41 0.00 0.00 0.00 176.54 178.34 2pqi h LEU 209 N 0.83 1.02 0.02 3.11 3.38 -0.45 -3.33 115.31 119.89 2pqi h LEU 209 Ca 0.20 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2pqi h LEU 209 Cb 0.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2pqi h LEU 209 CO -0.02 1.12 -0.01 0.03 0.09 0.00 0.00 178.44 179.65 2pqi h ARG 210 N 0.91 -0.02 -5.28 1.13 3.08 -1.03 -3.39 114.38 109.77 2pqi h ARG 210 Ca 0.14 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.57 2pqi h ARG 210 Cb 0.67 0.01 -0.19 0.00 0.08 0.00 0.00 29.97 30.54 2pqi h ARG 210 CO 0.05 0.55 -0.61 -0.06 -1.07 0.00 0.00 179.97 178.83 2pqi s PHE 211 N -3.80 3.15 -2.15 3.04 0.40 0.83 0.37 117.98 119.81 2pqi s PHE 211 Ca -0.16 -0.10 0.17 0.00 -0.60 0.00 0.00 56.93 56.23 2pqi s PHE 211 Cb 0.01 -2.03 0.64 0.00 0.51 0.00 0.00 43.02 42.15 2pqi s PHE 211 CO 0.66 0.06 1.47 0.27 0.70 0.00 0.00 175.22 178.38 2pqi n ASN 212 N 3.55 1.40 0.05 1.36 2.04 -0.52 -2.79 115.26 120.35 2pqi n ASN 212 Ca -0.17 -1.76 -0.20 0.00 -0.44 0.00 0.00 54.58 52.02 2pqi n ASN 212 Cb 0.52 -0.12 -0.14 0.00 -2.53 0.00 0.00 39.78 37.51 2pqi n ASN 212 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pqi h THR 213 N 1.75 0.94 -0.03 5.53 1.03 -1.80 -2.89 112.91 117.44 2pqi h THR 213 Ca 0.00 -2.58 -0.24 0.00 -0.01 0.00 0.00 66.41 63.58 2pqi h THR 213 Cb 0.39 2.69 0.01 0.00 -1.07 0.00 0.00 68.15 70.17 2pqi h THR 213 CO 0.00 0.83 -0.94 0.58 -0.01 0.00 0.00 175.52 175.98 2pqi h VAL 214 N 0.08 1.33 -0.13 0.00 2.07 -1.82 -2.30 116.25 115.46 2pqi h VAL 214 Ca -0.32 -2.25 -0.06 0.00 0.82 0.00 0.00 66.70 64.89 2pqi h VAL 214 Cb 2.05 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 34.12 2pqi h VAL 214 CO 0.15 0.69 -0.14 0.77 0.02 0.00 0.00 177.57 179.06 2pqi h SER 215 N 0.36 0.35 0.12 0.57 4.64 -1.65 0.49 113.55 118.43 2pqi h SER 215 Ca -0.09 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 2pqi h SER 215 Cb 1.57 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2pqi h SER 215 CO 0.18 0.77 -0.06 0.03 -0.87 0.00 0.00 176.83 176.88 2pqi h ARG 216 N -0.05 -0.15 -0.22 4.77 3.08 -1.59 0.19 114.38 120.41 2pqi h ARG 216 Ca 0.02 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2pqi h ARG 216 Cb 0.67 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2pqi h ARG 216 CO 0.03 -0.10 0.06 1.15 -1.07 0.00 0.00 179.97 180.05 2pqi h THR 217 N -0.16 0.93 -0.30 2.04 2.02 -1.42 -2.01 112.91 114.02 2pqi h THR 217 Ca -0.02 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 2pqi h THR 217 Cb 0.12 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2pqi h THR 217 CO 0.03 0.03 -0.13 0.58 0.37 0.00 0.00 175.52 176.39 2pqi h VAL 218 N 0.16 1.29 -0.73 3.16 2.07 -0.76 -3.12 116.25 118.32 2pqi h VAL 218 Ca 0.09 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.45 2pqi h VAL 218 Cb 0.07 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2pqi h VAL 218 CO -0.11 0.39 0.42 -0.78 0.02 0.00 0.00 177.57 177.52 2pqi h ASP 219 N 0.37 0.65 0.55 0.57 3.58 -0.53 -1.62 116.42 119.98 2pqi h ASP 219 Ca 0.07 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2pqi h ASP 219 Cb 0.65 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2pqi h ASP 219 CO 0.04 0.42 -0.42 0.00 -2.88 0.00 0.00 179.24 176.40 2pqi h ALA 220 N 1.36 -0.99 -0.84 -0.78 0.00 -1.34 -3.00 119.26 113.67 2pqi h ALA 220 Ca 0.32 -0.18 -0.49 0.00 0.00 0.00 0.00 54.91 54.56 2pqi h ALA 220 Cb 0.17 0.56 -0.25 0.00 0.00 0.00 0.00 17.79 18.27 2pqi h ALA 220 CO -0.17 -1.09 0.62 0.41 0.00 0.00 0.00 179.25 179.02 2pqi n GLY 221 N -1.53 4.58 0.08 0.00 0.00 -1.17 -4.58 105.19 102.57 2pqi n GLY 221 Ca -0.12 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 1.23 0.13 0.00 1.61 -0.00 -1.14 -3.27 116.94 115.49 2pqi h PHE 222 Ca 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.47 2pqi h PHE 222 Cb 1.89 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.81 2pqi h PHE 222 CO 1.30 0.44 -0.42 0.09 -0.00 0.00 0.00 178.31 179.72 2pqi n ASN 223 N -4.83 0.47 -4.61 0.41 3.02 -1.26 -1.80 115.26 106.65 2pqi n ASN 223 Ca -0.07 -0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.03 2pqi n ASN 223 Cb 0.22 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.43 2pqi n ASN 223 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2pqi n SER 224 N -1.67 1.71 0.01 6.41 3.41 -1.23 -4.84 113.62 117.41 2pqi n SER 224 Ca 0.05 1.18 0.06 0.00 -0.26 0.00 0.00 58.87 59.90 2pqi n SER 224 Cb 0.36 -1.33 0.26 0.00 -0.26 0.00 0.00 64.21 63.25 2pqi n SER 224 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2pqi n GLN 225 N 0.98 0.01 0.00 4.33 7.27 -1.26 -2.61 117.38 126.10 2pqi n GLN 225 Ca 0.10 0.31 0.07 0.00 0.07 0.00 0.00 57.00 57.55 2pqi n GLN 225 Cb 0.32 -1.52 -0.04 0.00 2.41 0.00 0.00 30.24 31.40 2pqi n GLN 225 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2pqi n HIS 226 N -1.54 0.00 -0.99 3.69 8.25 -1.26 -5.10 115.22 118.26 2pqi n HIS 226 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2pqi n HIS 226 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 1.23 -1.79 3.57 -1.41 0.00 -1.07 -5.01 105.19 100.71 2pqi n GLY 227 Ca 0.04 -1.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 0.14 1.61 0.11 -0.82 -4.80 120.40 116.65 2pqi s VAL 228 Ca 0.00 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2pqi s VAL 228 Cb 0.00 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2pqi s VAL 228 CO 0.00 -0.00 0.01 0.42 -3.33 0.00 0.00 175.10 172.20 2pqi s THR 229 N 0.04 0.46 0.52 5.04 -4.23 -1.26 -1.48 115.64 114.73 2pqi s THR 229 Ca -0.02 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 2pqi s THR 229 Cb -0.04 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 2pqi s THR 229 CO 0.03 -0.54 0.84 -0.76 -0.54 0.00 0.00 174.62 173.65 2pqi s LEU 230 N -3.11 3.48 0.45 4.79 1.43 -1.26 -4.98 118.68 119.49 2pqi s LEU 230 Ca 0.22 0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 54.12 2pqi s LEU 230 Cb 0.07 -3.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 2pqi s LEU 230 CO 0.02 -0.73 0.86 0.42 0.23 0.00 0.00 176.35 177.14 2pqi s THR 231 N -2.85 4.68 0.38 5.49 -4.23 -1.26 -4.43 115.64 113.42 2pqi s THR 231 Ca 0.50 0.86 0.18 0.00 -1.18 0.00 0.00 61.69 62.05 2pqi s THR 231 Cb -0.10 -3.73 0.38 0.00 1.34 0.00 0.00 72.50 70.39 2pqi s THR 231 CO 0.46 -0.60 1.73 0.58 -0.54 0.00 0.00 174.62 176.25 2pqi h VAL 232 N 0.99 0.45 -0.20 2.29 2.07 -1.97 0.18 116.25 120.05 2pqi h VAL 232 Ca -0.47 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2pqi h VAL 232 Cb 1.19 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2pqi h VAL 232 CO 0.63 0.07 -0.16 0.74 0.02 0.00 0.00 177.57 178.86 2pqi h THR 233 N 0.38 1.32 -0.65 2.57 2.02 -1.95 -1.31 112.91 115.29 2pqi h THR 233 Ca 0.65 -1.30 0.02 0.00 0.77 0.00 0.00 66.41 66.55 2pqi h THR 233 Cb 1.61 1.72 -0.04 0.00 -1.74 0.00 0.00 68.15 69.70 2pqi h THR 233 CO -0.38 0.39 0.42 1.56 0.37 0.00 0.00 175.52 177.89 2pqi h GLN 234 N 0.15 0.83 -0.38 6.66 4.20 -1.22 -1.18 115.11 124.16 2pqi h GLN 234 Ca 0.04 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2pqi h GLN 234 Cb 0.69 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2pqi h GLN 234 CO 0.04 0.55 0.23 0.78 -0.67 0.00 0.00 178.83 179.76 2pqi h GLY 235 N 0.85 0.53 2.00 3.46 0.00 -0.65 0.12 103.07 109.39 2pqi h GLY 235 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 2pqi h GLY 235 CO -0.07 0.17 -0.07 0.50 0.00 0.00 0.00 176.54 177.07 2pqi h LYS 236 N 0.48 0.00 0.08 4.80 6.56 -0.87 -1.92 116.57 125.70 2pqi h LYS 236 Ca 0.15 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2pqi h LYS 236 Cb -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2pqi h LYS 236 CO -0.05 0.07 -0.04 1.96 -2.06 0.00 0.00 179.45 179.32 2pqi h GLN 237 N 0.00 -0.10 -0.97 3.15 4.20 -0.32 -3.23 115.11 117.83 2pqi h GLN 237 Ca -0.00 0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.92 2pqi h GLN 237 Cb 0.61 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.33 2pqi h GLN 237 CO 0.01 0.43 0.62 0.28 -0.67 0.00 0.00 178.83 179.50 2pqi h VAL 238 N -0.89 0.68 0.00 -0.54 2.07 -0.66 0.57 116.25 117.47 2pqi h VAL 238 Ca -0.01 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2pqi h VAL 238 Cb 0.58 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2pqi h VAL 238 CO 0.02 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.71 2pqi n GLN 239 N -4.63 0.39 -0.93 1.57 6.02 -0.73 -2.87 117.38 116.20 2pqi n GLN 239 Ca 0.22 0.07 -0.04 0.00 -0.01 0.00 0.00 57.00 57.24 2pqi n GLN 239 Cb 0.66 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.19 2.04 -0.21 -1.09 4.76 0.20 -4.81 118.16 117.86 2pqi n LYS 240 Ca 0.11 -3.42 -0.02 0.00 -2.87 0.00 0.00 58.31 52.12 2pqi n LYS 240 Cb 0.13 -1.82 0.09 0.00 -1.84 0.00 0.00 35.03 31.59 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 1.23 0.57 -0.16 2.13 7.01 -1.54 -0.83 115.95 124.36 2pqi h TRP 241 Ca 0.16 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.22 2pqi h TRP 241 Cb 1.31 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 28.16 2pqi h TRP 241 CO 0.90 0.25 -0.12 -0.44 -2.79 0.00 0.00 178.44 176.24 2pqi h ASP 242 N 0.58 -0.37 -0.34 2.65 3.45 -1.90 0.41 116.42 120.90 2pqi h ASP 242 Ca 0.28 0.08 -0.07 0.00 0.43 0.00 0.00 57.03 57.75 2pqi h ASP 242 Cb 0.22 0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.16 2pqi h ASP 242 CO -0.20 -0.15 -0.02 -0.09 -1.57 0.00 0.00 179.24 177.20 2pqi h ARG 243 N -0.12 0.71 -0.10 3.56 9.65 -1.81 0.84 114.38 127.11 2pqi h ARG 243 Ca 0.10 -0.19 -0.14 0.00 -1.10 0.00 0.00 59.98 58.65 2pqi h ARG 243 Cb 0.27 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.75 2pqi h ARG 243 CO -0.23 0.74 -0.57 0.82 2.80 0.00 0.00 179.97 183.53 2pqi h ILE 244 N 0.66 1.36 -0.07 1.20 2.04 -0.81 0.37 117.51 122.26 2pqi h ILE 244 Ca 0.13 -1.88 -0.11 0.00 1.00 0.00 0.00 64.86 64.01 2pqi h ILE 244 Cb 0.44 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2pqi h ILE 244 CO 0.02 0.56 -0.44 0.28 0.00 0.00 0.00 178.15 178.57 2pqi h SER 245 N 0.24 0.18 -0.04 1.72 0.02 -0.33 -1.65 113.55 113.69 2pqi h SER 245 Ca 0.00 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2pqi h SER 245 Cb 1.06 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2pqi h SER 245 CO 0.09 0.61 -0.13 0.11 -1.14 0.00 0.00 176.83 176.37 2pqi h LYS 246 N 0.14 0.17 -0.73 3.45 1.57 -0.45 -2.94 116.57 117.78 2pqi h LYS 246 Ca 0.01 -0.12 0.21 0.00 -1.87 0.00 0.00 60.65 58.88 2pqi h LYS 246 Cb 0.85 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 2pqi h LYS 246 CO 0.07 0.73 0.56 0.00 -0.57 0.00 0.00 179.45 180.24 2pqi h ALA 247 N 0.43 2.64 0.15 3.86 0.00 -0.71 0.18 119.26 125.80 2pqi h ALA 247 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pqi h ALA 247 Cb 0.74 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2pqi h ALA 247 CO 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 179.25 178.27 2pqi h ALA 248 N 1.57 -0.20 0.00 0.00 0.00 -1.13 0.21 119.26 119.70 2pqi h ALA 248 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pqi h ALA 248 Cb 1.46 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2pqi h ALA 248 CO -0.00 -0.44 0.00 1.19 0.00 0.00 0.00 179.25 180.00 2pqi n PHE 249 N -5.02 0.00 -0.10 0.00 3.01 0.53 -1.30 117.46 114.57 2pqi n PHE 249 Ca -0.09 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.19 2pqi n PHE 249 Cb 0.22 -0.31 -0.08 0.00 -0.01 0.00 0.00 39.48 39.30 2pqi n PHE 249 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2pqi n GLU 250 N -1.31 0.54 0.00 -1.08 2.13 -0.55 -4.05 120.64 116.32 2pqi n GLU 250 Ca 0.03 0.44 0.02 0.00 0.66 0.00 0.00 57.16 58.31 2pqi n GLU 250 Cb 0.06 -1.63 0.07 0.00 0.27 0.00 0.00 31.44 30.21 2pqi n GLU 250 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 2pqi n TRP 251 N -4.43 0.00 -0.20 4.31 8.01 0.66 -1.23 117.44 124.55 2pqi n TRP 251 Ca -0.30 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.80 2pqi n TRP 251 Cb 0.63 -0.47 0.02 0.00 -2.01 0.00 0.00 31.31 29.48 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 2.12 0.77 0.00 6.99 0.00 -1.34 -2.65 119.26 125.15 2pqi h ALA 252 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2pqi h ALA 252 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pqi h ALA 252 CO 0.00 0.51 -0.35 -0.44 0.00 0.00 0.00 179.25 178.97 2pqi h ASP 253 N 0.85 0.00 -3.67 0.00 3.45 -1.37 -3.43 116.42 112.26 2pqi h ASP 253 Ca 0.18 -0.30 -0.70 0.00 0.43 0.00 0.00 57.03 56.64 2pqi h ASP 253 Cb 0.41 0.00 -0.36 0.00 -0.56 0.00 0.00 39.33 38.82 2pqi h ASP 253 CO 0.01 0.85 -0.24 -1.00 -1.57 0.00 0.00 179.24 177.29 2pqi s HIS 254 N -2.02 3.67 -1.35 4.55 3.76 -1.03 -4.90 115.29 117.97 2pqi s HIS 254 Ca -0.13 -2.92 0.02 0.00 -0.15 0.00 0.00 55.06 51.88 2pqi s HIS 254 Cb 0.01 -3.19 0.10 0.00 1.11 0.00 0.00 32.58 30.61 2pqi s HIS 254 CO 0.31 -0.76 0.91 -0.35 -0.85 0.00 0.00 174.74 173.99 2pqi n PRO 255 N 2.77 0.02 -0.00 8.40 -0.04 -1.00 -0.95 135.00 144.21 2pqi n PRO 255 Ca 0.16 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 64.01 2pqi n PRO 255 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 2pqi n PRO 255 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2pqi n THR 256 N -1.33 0.00 -0.75 0.52 -1.04 -1.26 -4.71 114.28 105.72 2pqi n THR 256 Ca 0.01 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.41 2pqi n THR 256 Cb 0.02 0.47 0.14 0.00 -1.82 0.00 0.00 70.33 69.14 2pqi n THR 256 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pqi n ALA 257 N -1.84 -3.93 -3.41 2.41 0.00 -0.12 -5.02 120.51 108.60 2pqi n ALA 257 Ca -0.00 -1.08 -0.22 0.00 0.00 0.00 0.00 53.44 52.13 2pqi n ALA 257 Cb 0.40 -1.52 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 2pqi n ALA 257 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pqi s VAL 258 N -2.25 -0.13 -0.23 0.00 0.11 -1.26 -4.90 120.40 111.74 2pqi s VAL 258 Ca 0.54 -1.26 -0.16 0.00 -2.93 0.00 0.00 61.98 58.17 2pqi s VAL 258 Cb -0.13 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2pqi s VAL 258 CO 0.67 -0.75 0.43 -0.63 -3.33 0.00 0.00 175.10 171.49 2pqi s ILE 259 N 1.34 5.16 0.31 7.04 1.01 -1.26 -4.96 121.20 129.84 2pqi s ILE 259 Ca 0.17 0.73 0.07 0.00 0.00 0.00 0.00 60.65 61.62 2pqi s ILE 259 Cb -0.18 -3.75 0.30 0.00 0.01 0.00 0.00 42.46 38.83 2pqi s ILE 259 CO -0.04 0.19 1.73 1.55 0.00 0.00 0.00 174.94 178.37 2pqi h PRO 260 N 7.69 0.56 0.00 2.79 0.13 -1.99 0.38 132.00 141.56 2pqi h PRO 260 Ca -0.33 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 2pqi h PRO 260 Cb 1.16 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2pqi h PRO 260 CO 0.70 0.37 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.32 2pqi h ASP 261 N 0.58 0.00 0.18 1.44 3.45 -1.99 -1.87 116.42 118.21 2pqi h ASP 261 Ca 0.60 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.81 2pqi h ASP 261 Cb 1.09 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.88 2pqi h ASP 261 CO -0.46 0.08 -1.17 0.24 -1.57 0.00 0.00 179.24 176.36 2pqi h MET 262 N 0.00 0.38 0.00 3.56 2.86 -0.54 -3.32 114.93 117.87 2pqi h MET 262 Ca -0.00 -0.64 -0.03 0.00 -2.06 0.00 0.00 59.70 56.96 2pqi h MET 262 Cb 0.37 0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 2pqi h MET 262 CO 0.01 1.31 -0.14 -0.56 1.06 0.00 0.00 176.91 178.58 2pqi h GLN 263 N -0.17 0.00 0.00 1.72 3.07 -1.14 -1.50 115.11 117.09 2pqi h GLN 263 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.53 2pqi h GLN 263 Cb 1.86 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.42 2pqi h GLN 263 CO 0.18 0.14 0.00 0.87 0.09 0.00 0.00 178.83 180.12 2pqi h LYS 264 N 0.00 0.00 0.00 0.06 1.57 -1.44 -2.81 116.57 113.95 2pqi h LYS 264 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2pqi h LYS 264 Cb 0.53 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 2pqi h LYS 264 CO 0.02 0.00 -1.95 1.28 -0.57 0.00 0.00 179.45 178.23 2pqi n LEU 265 N -2.37 0.48 0.00 2.94 4.32 -0.81 -4.98 117.00 116.58 2pqi n LEU 265 Ca 0.03 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 2pqi n LEU 265 Cb 0.29 0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2pqi n LEU 265 CO 0.23 0.38 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 2pqi n GLY 266 N 1.59 1.65 3.06 -0.72 0.00 -1.06 -4.90 105.19 104.81 2pqi n GLY 266 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 3.07 -0.03 -0.61 1.01 -0.63 -5.01 121.20 116.99 2pqi s ILE 267 Ca 0.00 -2.59 -0.12 0.00 0.00 0.00 0.00 60.65 57.94 2pqi s ILE 267 Cb 0.00 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.30 2pqi s ILE 267 CO 0.00 -0.74 0.57 0.07 0.00 0.00 0.00 174.94 174.84 2pqi h LYS 268 N 7.40 -0.42 -5.95 2.79 2.10 -1.94 -3.29 116.57 117.27 2pqi h LYS 268 Ca -0.07 0.03 -0.59 0.00 -2.00 0.00 0.00 60.65 58.01 2pqi h LYS 268 Cb 0.99 0.09 -0.11 0.00 -0.90 0.00 0.00 32.23 32.30 2pqi h LYS 268 CO 0.66 -0.28 -0.61 0.16 -2.00 0.00 0.00 179.45 177.39 2pqi s ASP 269 N -4.51 4.10 0.65 7.07 1.47 -1.26 -4.71 116.67 119.48 2pqi s ASP 269 Ca -0.06 -1.08 0.25 0.00 1.18 0.00 0.00 52.55 52.84 2pqi s ASP 269 Cb 0.01 -0.48 1.35 0.00 -0.34 0.00 0.00 42.92 43.46 2pqi s ASP 269 CO 0.19 -0.29 1.76 0.07 0.68 0.00 0.00 175.17 177.57 2pqi h LYS 270 N 1.79 0.00 0.01 2.11 5.09 -1.91 0.34 116.57 124.00 2pqi h LYS 270 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.31 2pqi h LYS 270 Cb 1.25 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.58 2pqi h LYS 270 CO 0.69 0.00 -0.01 -0.91 -2.09 0.00 0.00 179.45 177.14 2pqi h ASN 271 N 0.00 -0.01 -0.38 7.07 4.21 -1.94 -0.23 115.58 124.29 2pqi h ASN 271 Ca 0.00 -0.55 0.04 0.00 1.21 0.00 0.00 56.30 57.00 2pqi h ASN 271 Cb 0.86 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.03 2pqi h ASN 271 CO 0.00 0.54 0.15 -0.33 -1.29 0.00 0.00 177.43 176.51 2pqi h GLU 272 N -0.58 0.31 -0.90 0.81 4.39 -0.76 -1.71 114.58 116.14 2pqi h GLU 272 Ca -0.00 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.79 2pqi h GLU 272 Cb 0.56 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 2pqi h GLU 272 CO 0.00 0.20 0.53 0.00 -1.16 0.00 0.00 179.01 178.59 2pqi h ALA 273 N 1.23 1.33 -0.07 3.43 0.00 -1.21 -0.53 119.26 123.44 2pqi h ALA 273 Ca 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2pqi h ALA 273 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2pqi h ALA 273 CO -0.16 0.12 -0.40 0.00 0.00 0.00 0.00 179.25 178.82 2pqi h ALA 274 N 1.50 1.21 -0.07 0.00 0.00 -0.27 0.19 119.26 121.83 2pqi h ALA 274 Ca 0.45 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2pqi h ALA 274 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2pqi h ALA 274 CO -0.27 0.55 -0.46 -0.09 0.00 0.00 0.00 179.25 178.97 2pqi h ARG 275 N 0.12 0.17 0.00 0.00 2.43 -0.30 -3.34 114.38 113.46 2pqi h ARG 275 Ca 0.01 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 58.90 2pqi h ARG 275 Cb 0.76 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 2pqi h ARG 275 CO 0.06 0.60 -1.12 0.82 -1.51 0.00 0.00 179.97 178.81 2pqi h ILE 276 N 0.14 0.75 -3.57 1.20 2.04 -0.63 -3.42 117.51 114.02 2pqi h ILE 276 Ca 0.01 -1.97 -0.62 0.00 1.00 0.00 0.00 64.86 63.28 2pqi h ILE 276 Cb 0.88 1.83 -0.14 0.00 -0.74 0.00 0.00 36.82 38.64 2pqi h ILE 276 CO 0.07 0.26 -0.48 0.54 0.00 0.00 0.00 178.15 178.54 2pqi s VAL 277 N -2.34 5.35 -0.13 1.67 0.11 0.62 -1.44 120.40 124.24 2pqi s VAL 277 Ca -0.26 0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.95 2pqi s VAL 277 Cb 0.05 -3.52 -0.26 0.00 -1.53 0.00 0.00 36.38 31.13 2pqi s VAL 277 CO 0.52 0.34 0.33 0.00 -3.33 0.00 0.00 175.10 172.96 2pqi n ALA 278 N 4.30 0.91 -3.91 1.54 0.00 0.16 -4.57 120.51 118.93 2pqi n ALA 278 Ca -0.14 -0.61 -0.32 0.00 0.00 0.00 0.00 53.44 52.36 2pqi n ALA 278 Cb 0.52 -0.65 -0.16 0.00 0.00 0.00 0.00 19.45 19.16 2pqi n ALA 278 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pqi s LEU 279 N -7.03 2.07 -0.13 0.00 1.43 -0.43 -4.07 118.68 110.51 2pqi s LEU 279 Ca -0.23 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.19 2pqi s LEU 279 Cb 0.07 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2pqi s LEU 279 CO 0.76 0.03 0.12 0.68 0.23 0.00 0.00 176.35 178.17 2pqi s VAL 280 N 1.10 5.33 0.45 -1.59 -7.23 -1.13 -4.84 120.40 112.49 2pqi s VAL 280 Ca -0.00 0.15 -0.24 0.00 -1.81 0.00 0.00 61.98 60.08 2pqi s VAL 280 Cb -0.14 -3.34 -0.08 0.00 0.56 0.00 0.00 36.38 33.39 2pqi s VAL 280 CO -0.08 0.58 1.20 -0.75 -0.31 0.00 0.00 175.10 175.74 2pqi s LYS 281 N -0.73 3.80 0.34 4.82 2.20 -1.26 -2.05 119.74 126.86 2pqi s LYS 281 Ca 0.13 1.87 -0.26 0.00 -0.36 0.00 0.00 55.97 57.35 2pqi s LYS 281 Cb -0.12 -2.50 -0.09 0.00 -1.51 0.00 0.00 37.83 33.61 2pqi s LYS 281 CO 0.03 -0.54 1.04 1.21 -0.36 0.00 0.00 175.35 176.72 2pqi s ASN 282 N -1.20 7.08 0.00 1.43 3.84 -1.26 -4.78 114.94 120.05 2pqi s ASN 282 Ca 0.62 2.06 0.01 0.00 0.21 0.00 0.00 52.86 55.76 2pqi s ASN 282 Cb -0.31 -2.60 0.01 0.00 -0.55 0.00 0.00 41.25 37.80 2pqi s ASN 282 CO 0.38 -0.27 0.53 1.67 -2.79 0.00 0.00 177.10 176.63