#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr s LYS 2 N 0.00 1.05 0.01 2.12 -0.14 -1.26 -5.07 119.74 116.44 1uqr s LYS 2 Ca 0.00 -1.14 0.05 0.00 -1.36 0.00 0.00 55.97 53.52 1uqr s LYS 2 Cb 0.00 -1.19 -0.02 0.00 -1.68 0.00 0.00 37.83 34.95 1uqr s LYS 2 CO 0.00 0.27 -0.14 0.21 -0.76 0.00 0.00 175.35 174.92 1uqr s LYS 3 N -2.02 1.06 -0.06 1.68 2.20 -1.26 -2.29 119.74 119.05 1uqr s LYS 3 Ca 0.05 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1uqr s LYS 3 Cb -0.09 -1.05 -0.02 0.00 -1.51 0.00 0.00 37.83 35.16 1uqr s LYS 3 CO 0.04 0.28 -0.14 0.42 -0.36 0.00 0.00 175.35 175.58 1uqr s ILE 4 N -0.55 3.04 -0.19 5.43 1.01 -0.29 -0.74 121.20 128.91 1uqr s ILE 4 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1uqr s ILE 4 Cb -0.06 -2.20 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 1uqr s ILE 4 CO 0.00 0.58 -0.10 -0.22 0.00 0.00 0.00 174.94 175.20 1uqr s LEU 5 N -0.53 2.67 -0.26 2.97 2.96 -0.14 -1.30 118.68 125.06 1uqr s LEU 5 Ca 0.07 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.39 1uqr s LEU 5 Cb -0.12 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1uqr s LEU 5 CO 0.01 0.02 0.35 -0.22 -1.32 0.00 0.00 176.35 175.19 1uqr s LEU 6 N 1.24 4.06 -0.08 -0.68 2.96 0.45 -1.24 118.68 125.40 1uqr s LEU 6 Ca 0.03 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1uqr s LEU 6 Cb -0.14 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1uqr s LEU 6 CO -0.04 -0.14 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.88 1uqr s LEU 7 N 1.86 2.31 -0.05 -0.68 1.43 0.61 -1.26 118.68 122.90 1uqr s LEU 7 Ca 0.15 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1uqr s LEU 7 Cb -0.15 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.61 1uqr s LEU 7 CO 0.09 0.24 -0.15 0.20 0.23 0.00 0.00 176.35 176.96 1uqr s ASN 8 N -0.10 2.00 0.09 2.29 0.01 -0.38 -1.02 114.94 117.83 1uqr s ASN 8 Ca -0.04 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1uqr s ASN 8 Cb -0.14 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.82 1uqr s ASN 8 CO 0.04 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.35 1uqr n GLY 9 N 3.39 0.36 3.65 0.66 0.00 0.99 -2.41 105.19 111.83 1uqr n GLY 9 Ca -0.20 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1uqr n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uqr n PRO 10 N -0.15 1.82 -0.38 1.61 -0.04 -1.03 -2.75 135.00 134.08 1uqr n PRO 10 Ca 0.00 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.10 1uqr n PRO 10 Cb 0.00 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1uqr n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uqr n ASN 11 N 1.00 0.00 0.29 3.54 3.02 -1.26 -4.52 115.26 117.33 1uqr n ASN 11 Ca 0.07 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.81 1uqr n ASN 11 Cb 0.34 -0.95 0.84 0.00 -0.61 0.00 0.00 39.78 39.40 1uqr n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uqr h LEU 12 N 0.00 0.00 -0.07 3.41 -0.00 -1.88 -1.93 115.31 114.84 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1uqr h LEU 12 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 178.44 177.98 1uqr n ASN 13 N -3.07 0.07 -0.28 -0.43 6.94 -1.26 -2.37 115.26 114.86 1uqr n ASN 13 Ca -0.00 0.52 0.15 0.00 -0.02 0.00 0.00 54.58 55.22 1uqr n ASN 13 Cb 0.23 -0.53 0.70 0.00 -2.36 0.00 0.00 39.78 37.82 1uqr n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1uqr n MET 14 N -1.58 1.38 -1.71 -3.83 2.81 -0.72 -4.78 117.12 108.69 1uqr n MET 14 Ca 0.04 -0.57 -0.42 0.00 -1.81 0.00 0.00 57.70 54.93 1uqr n MET 14 Cb 0.18 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.18 1uqr n MET 14 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1uqr n LEU 15 N -0.31 3.95 -0.26 4.03 4.77 -1.00 -1.98 117.00 126.20 1uqr n LEU 15 Ca 0.21 1.05 -0.03 0.00 -0.03 0.00 0.00 56.01 57.21 1uqr n LEU 15 Cb 0.26 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 39.77 1uqr n LEU 15 CO 0.17 0.15 -0.03 0.61 -1.33 0.00 0.00 177.39 176.96 1uqr n GLY 16 N 3.98 0.60 0.00 -0.72 0.00 -1.13 -3.89 105.19 104.03 1uqr n GLY 16 Ca 0.16 -0.28 0.05 0.00 0.00 0.00 0.00 46.02 45.96 1uqr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uqr n LYS 17 N -2.00 0.77 -2.35 1.61 4.76 -0.84 -4.86 118.16 115.26 1uqr n LYS 17 Ca -0.03 -0.09 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 1uqr n LYS 17 Cb 0.22 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 1uqr n LYS 17 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1uqr s ARG 18 N -2.65 4.37 0.00 1.97 0.52 -1.26 -4.97 118.95 116.94 1uqr s ARG 18 Ca -0.03 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 1uqr s ARG 18 Cb 0.07 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.13 1uqr s ARG 18 CO 0.45 -0.37 0.68 0.39 0.02 0.00 0.00 175.30 176.47 1uqr n GLU 19 N 4.41 0.00 -2.05 3.54 -0.58 -1.26 -3.46 120.64 121.23 1uqr n GLU 19 Ca 0.10 0.55 -0.43 0.00 -0.42 0.00 0.00 57.16 56.97 1uqr n GLU 19 Cb 0.45 -1.18 -0.03 0.00 -0.57 0.00 0.00 31.44 30.12 1uqr n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1uqr s PRO 20 N -1.71 3.81 0.46 3.49 0.02 -1.26 -4.92 135.00 134.89 1uqr s PRO 20 Ca 0.00 1.78 -0.23 0.00 0.02 0.00 0.00 61.00 62.58 1uqr s PRO 20 Cb 0.00 -4.06 -0.07 0.00 0.02 0.00 0.00 34.50 30.39 1uqr s PRO 20 CO 0.00 -1.28 1.17 -1.01 -0.33 0.00 0.00 177.00 175.55 1uqr s HIS 21 N 5.24 2.85 -0.16 6.54 3.76 -1.22 -4.97 115.29 127.33 1uqr s HIS 21 Ca 0.74 1.53 0.02 0.00 -0.15 0.00 0.00 55.06 57.20 1uqr s HIS 21 Cb -0.27 -3.39 -0.11 0.00 1.11 0.00 0.00 32.58 29.92 1uqr s HIS 21 CO 0.30 -1.54 -0.13 -0.89 -0.85 0.00 0.00 174.74 171.62 1uqr n ILE 22 N -0.53 0.91 -0.01 0.60 5.41 -1.26 -4.79 119.36 119.69 1uqr n ILE 22 Ca 0.07 -0.36 -0.00 0.00 1.00 0.00 0.00 62.75 63.46 1uqr n ILE 22 Cb 0.48 -1.05 -0.02 0.00 -0.71 0.00 0.00 39.64 38.34 1uqr n ILE 22 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1uqr n TYR 23 N -2.94 0.00 0.00 1.39 4.02 -1.26 -5.14 117.16 113.23 1uqr n TYR 23 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1uqr n TYR 23 Cb 0.80 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 1uqr n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uqr n GLY 24 N 2.65 0.95 0.15 2.72 0.00 -1.26 -4.83 105.19 105.57 1uqr n GLY 24 Ca -0.03 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.10 1uqr n GLY 24 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uqr h SER 25 N 0.00 0.00 -2.47 1.61 0.87 -1.99 -3.36 113.55 108.21 1uqr h SER 25 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 1uqr h SER 25 Cb 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1uqr h SER 25 CO 0.00 0.00 1.02 1.67 -0.53 0.00 0.00 176.83 178.99 1uqr n GLN 26 N -2.29 2.64 -3.39 2.24 7.27 -1.26 -4.71 117.38 117.87 1uqr n GLN 26 Ca 0.01 0.96 -0.20 0.00 0.07 0.00 0.00 57.00 57.83 1uqr n GLN 26 Cb 0.16 -2.81 -0.01 0.00 2.41 0.00 0.00 30.24 29.99 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1uqr s THR 27 N 2.00 2.61 0.18 1.69 -4.23 -1.26 -2.83 115.64 113.80 1uqr s THR 27 Ca 0.80 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.94 1uqr s THR 27 Cb -0.54 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 70.53 1uqr s THR 27 CO 0.37 0.00 1.83 0.25 -0.54 0.00 0.00 174.62 176.53 1uqr h LEU 28 N 0.82 0.58 -1.13 4.79 5.85 -1.80 -2.12 115.31 122.30 1uqr h LEU 28 Ca -0.40 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.38 1uqr h LEU 28 Cb 1.28 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 1uqr h LEU 28 CO 0.52 0.42 0.59 -1.28 -0.34 0.00 0.00 178.44 178.35 1uqr h SER 29 N 0.70 0.92 -0.16 1.25 0.87 -1.94 0.18 113.55 115.37 1uqr h SER 29 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1uqr h SER 29 Cb -0.04 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1uqr h SER 29 CO -0.07 0.60 0.10 0.44 -0.53 0.00 0.00 176.83 177.38 1uqr h ASP 30 N 1.05 0.19 -0.42 6.23 3.45 -1.78 -0.07 116.42 125.07 1uqr h ASP 30 Ca 0.39 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.81 1uqr h ASP 30 Cb 0.18 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1uqr h ASP 30 CO -0.14 0.15 0.18 0.40 -1.57 0.00 0.00 179.24 178.25 1uqr h ILE 31 N 0.21 1.19 -0.27 0.35 2.04 -0.99 -0.03 117.51 120.01 1uqr h ILE 31 Ca 0.06 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1uqr h ILE 31 Cb -0.01 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1uqr h ILE 31 CO -0.01 0.21 0.13 -0.33 0.00 0.00 0.00 178.15 178.14 1uqr h GLU 32 N 0.53 0.26 -0.45 2.37 5.08 -0.74 -0.88 114.58 120.75 1uqr h GLU 32 Ca 0.14 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1uqr h GLU 32 Cb 0.16 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1uqr h GLU 32 CO -0.01 0.17 0.07 1.96 -1.00 0.00 0.00 179.01 180.20 1uqr h GLN 33 N 0.27 0.75 -0.22 2.33 1.08 -0.88 -1.33 115.11 117.12 1uqr h GLN 33 Ca 0.11 -0.20 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1uqr h GLN 33 Cb 0.05 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1uqr h GLN 33 CO -0.09 0.77 0.09 1.25 -0.95 0.00 0.00 178.83 179.90 1uqr h HIS 34 N 0.62 0.16 -0.39 2.96 2.76 -0.73 0.16 115.15 120.68 1uqr h HIS 34 Ca 0.14 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 1uqr h HIS 34 Cb 0.39 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 1uqr h HIS 34 CO 0.03 0.08 -0.19 -0.07 -1.30 0.00 0.00 177.93 176.48 1uqr h LEU 35 N 0.19 0.83 -0.61 0.26 4.07 -1.10 -1.46 115.31 117.50 1uqr h LEU 35 Ca 0.09 -0.41 -0.03 0.00 0.08 0.00 0.00 57.88 57.62 1uqr h LEU 35 Cb 0.05 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 1uqr h LEU 35 CO -0.09 1.05 0.27 -0.61 -1.08 0.00 0.00 178.44 177.98 1uqr h GLN 36 N 0.61 0.89 -0.67 1.13 4.15 -1.07 -0.30 115.11 119.85 1uqr h GLN 36 Ca 0.09 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.29 1uqr h GLN 36 Cb 0.74 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1uqr h GLN 36 CO 0.06 0.74 0.15 1.96 -1.93 0.00 0.00 178.83 179.80 1uqr h GLN 37 N 0.84 1.08 -0.34 1.69 4.20 -0.91 -1.03 115.11 120.63 1uqr h GLN 37 Ca 0.21 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1uqr h GLN 37 Cb 0.16 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1uqr h GLN 37 CO -0.02 0.97 0.08 1.03 -0.67 0.00 0.00 178.83 180.21 1uqr h SER 38 N 1.00 0.53 -0.23 1.46 0.87 -0.95 -1.18 113.55 115.06 1uqr h SER 38 Ca 0.21 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1uqr h SER 38 Cb 0.39 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1uqr h SER 38 CO 0.01 0.63 0.09 0.00 -0.53 0.00 0.00 176.83 177.03 1uqr h ALA 39 N 0.92 0.30 -0.97 6.23 0.00 -0.94 -2.78 119.26 122.01 1uqr h ALA 39 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 39 Cb 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1uqr h ALA 39 CO 0.00 -0.11 0.62 1.96 0.00 0.00 0.00 179.25 181.72 1uqr h GLN 40 N 0.22 1.29 0.00 0.00 4.20 -1.08 -1.05 115.11 118.69 1uqr h GLN 40 Ca 0.08 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1uqr h GLN 40 Cb 0.17 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1uqr h GLN 40 CO -0.01 0.87 -0.11 0.00 -0.67 0.00 0.00 178.83 178.91 1uqr h ALA 41 N 1.34 1.47 -0.11 3.87 0.00 -1.06 -1.23 119.26 123.54 1uqr h ALA 41 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1uqr h ALA 41 Cb -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1uqr h ALA 41 CO -0.07 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.36 1uqr n GLN 42 N -3.90 1.80 -0.42 0.00 6.02 -0.60 -4.93 117.38 115.35 1uqr n GLN 42 Ca -0.02 -1.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.78 1uqr n GLN 42 Cb 0.21 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uqr n GLY 43 N 1.19 0.74 3.42 1.08 0.00 -0.46 -5.09 105.19 106.08 1uqr n GLY 43 Ca 0.17 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1uqr n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uqr s TYR 44 N -2.00 2.25 0.19 1.61 2.02 -0.50 -4.81 117.35 116.11 1uqr s TYR 44 Ca 0.00 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 1uqr s TYR 44 Cb 0.00 -1.10 -0.07 0.00 -0.40 0.00 0.00 41.96 40.39 1uqr s TYR 44 CO 0.00 0.51 0.57 -1.21 -1.57 0.00 0.00 175.55 173.85 1uqr s GLU 45 N -2.79 3.93 -0.17 -0.62 2.02 -0.97 -2.98 118.70 117.11 1uqr s GLU 45 Ca 0.21 0.44 -0.06 0.00 0.02 0.00 0.00 54.97 55.59 1uqr s GLU 45 Cb -0.07 -2.79 0.08 0.00 0.10 0.00 0.00 34.13 31.45 1uqr s GLU 45 CO 0.10 0.39 0.36 -1.17 0.02 0.00 0.00 175.26 174.97 1uqr s LEU 46 N -2.34 -0.50 0.23 1.80 0.20 -1.26 -1.14 118.68 115.67 1uqr s LEU 46 Ca 0.43 0.85 0.06 0.00 0.69 0.00 0.00 54.13 56.16 1uqr s LEU 46 Cb -0.13 1.12 -0.03 0.00 -0.43 0.00 0.00 46.19 46.71 1uqr s LEU 46 CO 0.20 -0.23 0.22 -1.81 -0.29 0.00 0.00 176.35 174.44 1uqr s ASP 47 N 2.50 5.73 0.02 3.68 1.01 -0.42 -4.88 116.67 124.32 1uqr s ASP 47 Ca -0.01 -0.14 -0.01 0.00 0.71 0.00 0.00 52.55 53.10 1uqr s ASP 47 Cb -0.12 -1.53 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 1uqr s ASP 47 CO -0.11 -0.02 -0.01 -0.72 0.21 0.00 0.00 175.17 174.52 1uqr s TYR 48 N -2.01 0.26 -0.09 4.23 -0.85 -1.26 -0.41 117.35 117.22 1uqr s TYR 48 Ca 0.33 -0.54 -0.27 0.00 -0.52 0.00 0.00 57.07 56.07 1uqr s TYR 48 Cb -0.09 -0.19 0.06 0.00 0.38 0.00 0.00 41.96 42.12 1uqr s TYR 48 CO 0.26 -0.22 0.62 0.12 -1.52 0.00 0.00 175.55 174.80 1uqr s PHE 49 N -1.71 -0.60 -0.06 -3.49 5.36 -0.39 -4.95 117.98 112.14 1uqr s PHE 49 Ca -0.13 1.14 -0.06 0.00 -0.96 0.00 0.00 56.93 56.92 1uqr s PHE 49 Cb -0.08 0.33 0.01 0.00 -0.34 0.00 0.00 43.02 42.95 1uqr s PHE 49 CO -0.02 -0.52 0.16 -1.14 -1.46 0.00 0.00 175.22 172.24 1uqr s GLN 50 N -0.88 0.20 0.15 10.12 -0.44 -1.26 -1.25 119.66 126.31 1uqr s GLN 50 Ca -0.09 0.19 -0.21 0.00 -2.50 0.00 0.00 55.36 52.75 1uqr s GLN 50 Cb -0.02 0.10 0.06 0.00 -1.64 0.00 0.00 33.01 31.51 1uqr s GLN 50 CO 0.07 -0.03 0.54 0.00 0.50 0.00 0.00 175.29 176.37 1uqr s ALA 51 N 0.00 -1.37 -1.03 1.58 0.00 -1.01 -4.99 121.76 114.94 1uqr s ALA 51 Ca -0.01 0.29 0.17 0.00 0.00 0.00 0.00 51.96 52.41 1uqr s ALA 51 Cb -0.01 0.83 0.61 0.00 0.00 0.00 0.00 23.12 24.54 1uqr s ALA 51 CO 0.00 -0.74 1.52 0.09 0.00 0.00 0.00 175.76 176.64 1uqr n ASN 52 N -0.33 4.22 -4.04 0.00 3.02 -1.26 -2.46 115.26 114.42 1uqr n ASN 52 Ca -0.16 -2.40 -0.08 0.00 -0.03 0.00 0.00 54.58 51.90 1uqr n ASN 52 Cb 0.64 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1uqr n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uqr s GLY 53 N -1.08 0.36 0.19 7.41 0.00 -1.26 -4.71 107.32 108.23 1uqr s GLY 53 Ca 0.44 -0.91 -0.10 0.00 0.00 0.00 0.00 44.72 44.15 1uqr s GLY 53 CO 0.21 -1.00 1.75 0.83 0.00 0.00 0.00 173.10 174.89 1uqr h GLU 54 N 3.87 1.05 -0.18 2.90 5.08 -1.99 -2.59 114.58 122.73 1uqr h GLU 54 Ca -0.33 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1uqr h GLU 54 Cb 1.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1uqr h GLU 54 CO 0.54 0.88 0.09 1.49 -1.00 0.00 0.00 179.01 181.01 1uqr h GLU 55 N 1.00 0.20 -0.57 2.33 4.81 -1.98 0.41 114.58 120.77 1uqr h GLU 55 Ca 0.23 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1uqr h GLU 55 Cb 0.23 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1uqr h GLU 55 CO -0.02 0.13 0.35 0.77 -0.73 0.00 0.00 179.01 179.51 1uqr h SER 56 N 0.20 0.68 -0.28 1.04 0.02 -1.98 0.14 113.55 113.38 1uqr h SER 56 Ca 0.07 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1uqr h SER 56 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1uqr h SER 56 CO -0.04 0.54 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.01 1uqr h LEU 57 N 0.77 0.57 -0.58 5.07 3.38 -1.17 -2.28 115.31 121.07 1uqr h LEU 57 Ca 0.20 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1uqr h LEU 57 Cb -0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1uqr h LEU 57 CO -0.04 0.84 0.16 0.40 0.09 0.00 0.00 178.44 179.89 1uqr h ILE 58 N 0.31 1.24 -0.93 1.22 2.04 -0.04 -1.32 117.51 120.04 1uqr h ILE 58 Ca 0.07 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1uqr h ILE 58 Cb 0.60 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1uqr h ILE 58 CO 0.04 0.32 0.59 0.78 0.00 0.00 0.00 178.15 179.87 1uqr h ASN 59 N 0.82 1.10 -0.15 1.72 2.35 -0.94 -0.15 115.58 120.33 1uqr h ASN 59 Ca 0.18 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1uqr h ASN 59 Cb 0.31 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1uqr h ASN 59 CO -0.00 0.82 -0.20 -0.09 -1.65 0.00 0.00 177.43 176.30 1uqr h ARG 60 N 1.27 0.58 -0.37 0.81 9.65 -1.01 -0.74 114.38 124.56 1uqr h ARG 60 Ca 0.34 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1uqr h ARG 60 Cb -0.10 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1uqr h ARG 60 CO -0.07 0.75 -0.00 0.82 2.80 0.00 0.00 179.97 184.27 1uqr h ILE 61 N 0.52 1.26 -0.85 1.20 2.04 -0.36 -2.34 117.51 118.97 1uqr h ILE 61 Ca 0.08 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 1uqr h ILE 61 Cb 0.64 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1uqr h ILE 61 CO 0.05 0.33 0.40 0.45 0.00 0.00 0.00 178.15 179.38 1uqr h HIS 62 N 0.48 1.23 0.00 1.37 3.86 -0.81 -1.66 115.15 119.63 1uqr h HIS 62 Ca 0.11 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1uqr h HIS 62 Cb 0.47 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 1uqr h HIS 62 CO 0.04 0.89 -0.00 1.96 0.86 0.00 0.00 177.93 181.67 1uqr h GLN 63 N 1.21 0.00 0.00 2.45 4.20 -0.86 -1.35 115.11 120.76 1uqr h GLN 63 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1uqr h GLN 63 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1uqr h GLN 63 CO -0.04 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1uqr n ALA 64 N -2.46 2.19 -1.63 3.87 0.00 -0.63 -4.83 120.51 117.02 1uqr n ALA 64 Ca -0.03 -0.01 -0.49 0.00 0.00 0.00 0.00 53.44 52.91 1uqr n ALA 64 Cb 0.09 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.03 1uqr n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uqr n PHE 65 N -2.24 1.92 -0.83 0.00 -0.00 -0.51 -1.37 117.46 114.43 1uqr n PHE 65 Ca 0.05 0.44 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 1uqr n PHE 65 Cb 0.40 -2.45 0.00 0.00 -0.00 0.00 0.00 39.48 37.43 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1uqr n GLN 66 N 3.18 -0.51 0.00 -4.13 6.02 -1.26 -4.69 117.38 115.99 1uqr n GLN 66 Ca 0.18 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1uqr n GLN 66 Cb 0.24 -3.90 0.00 0.00 1.02 0.00 0.00 30.24 27.60 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1uqr n ASN 67 N -0.25 0.45 -4.54 1.08 0.23 -0.84 -5.06 115.26 106.33 1uqr n ASN 67 Ca 0.00 -0.13 -0.33 0.00 -0.53 0.00 0.00 54.58 53.59 1uqr n ASN 67 Cb 0.13 0.34 -0.12 0.00 -2.08 0.00 0.00 39.78 38.05 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uqr s THR 68 N -0.43 3.44 -0.23 5.53 2.01 -0.47 -4.60 115.64 120.89 1uqr s THR 68 Ca 0.00 -0.58 0.15 0.00 0.31 0.00 0.00 61.69 61.57 1uqr s THR 68 Cb 0.00 -2.38 -0.21 0.00 0.01 0.00 0.00 72.50 69.92 1uqr s THR 68 CO 0.00 0.60 0.42 0.47 -0.69 0.00 0.00 174.62 175.42 1uqr n ASP 69 N 2.27 1.29 -3.60 3.53 9.92 0.09 -4.92 116.55 125.13 1uqr n ASP 69 Ca -0.18 -0.26 -0.16 0.00 -0.53 0.00 0.00 54.79 53.66 1uqr n ASP 69 Cb 0.53 1.48 -0.07 0.00 -0.64 0.00 0.00 41.12 42.41 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1uqr s PHE 70 N -2.84 -0.61 -0.04 1.24 2.19 -1.08 -4.44 117.98 112.41 1uqr s PHE 70 Ca -0.02 1.19 0.05 0.00 0.33 0.00 0.00 56.93 58.48 1uqr s PHE 70 Cb 0.10 0.31 -0.01 0.00 -1.31 0.00 0.00 43.02 42.12 1uqr s PHE 70 CO 0.62 -0.49 -0.18 0.42 1.83 0.00 0.00 175.22 177.42 1uqr s ILE 71 N -0.72 1.46 -0.23 3.12 1.01 -0.53 -0.96 121.20 124.34 1uqr s ILE 71 Ca -0.08 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1uqr s ILE 71 Cb -0.02 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.21 1uqr s ILE 71 CO 0.06 0.42 -0.06 -0.63 0.00 0.00 0.00 174.94 174.74 1uqr s ILE 72 N -0.04 3.08 -0.04 2.92 1.01 -0.37 -1.46 121.20 126.29 1uqr s ILE 72 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1uqr s ILE 72 Cb -0.11 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.90 1uqr s ILE 72 CO 0.02 0.32 -0.09 -0.51 0.00 0.00 0.00 174.94 174.68 1uqr s ILE 73 N 1.40 0.80 -0.47 2.92 2.07 -0.50 -0.29 121.20 127.13 1uqr s ILE 73 Ca 0.03 -0.32 -0.03 0.00 -1.41 0.00 0.00 60.65 58.93 1uqr s ILE 73 Cb -0.15 -0.75 0.13 0.00 0.13 0.00 0.00 42.46 41.82 1uqr s ILE 73 CO -0.04 0.27 0.27 0.21 -1.91 0.00 0.00 174.94 173.74 1uqr s ASN 74 N 0.53 5.22 0.00 4.50 3.84 -0.19 -0.86 114.94 127.98 1uqr s ASN 74 Ca -0.09 -2.30 0.20 0.00 0.21 0.00 0.00 52.86 50.88 1uqr s ASN 74 Cb -0.12 -1.83 1.03 0.00 -0.55 0.00 0.00 41.25 39.78 1uqr s ASN 74 CO 0.01 -0.48 1.62 -0.81 -2.79 0.00 0.00 177.10 174.65 1uqr n PRO 75 N 4.23 0.33 0.00 0.43 -0.04 -1.26 -0.01 135.00 138.67 1uqr n PRO 75 Ca 0.01 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1uqr n PRO 75 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uqr n GLY 76 N 0.38 2.48 0.30 0.55 0.00 -1.26 -2.03 105.19 105.61 1uqr n GLY 76 Ca 0.10 -0.44 0.18 0.00 0.00 0.00 0.00 46.02 45.86 1uqr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 77 N -0.96 1.21 0.00 4.61 0.00 -1.94 -2.70 119.26 119.47 1uqr h ALA 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uqr h ALA 77 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 77 CO 0.00 0.03 0.00 1.19 0.00 0.00 0.00 179.25 180.47 1uqr n PHE 78 N -3.41 0.66 0.22 0.00 3.72 -0.86 -1.94 117.46 115.84 1uqr n PHE 78 Ca -0.02 0.30 0.06 0.00 -0.05 0.00 0.00 57.45 57.73 1uqr n PHE 78 Cb 0.14 -0.98 0.50 0.00 -0.94 0.00 0.00 39.48 38.20 1uqr n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uqr h THR 79 N 0.00 1.09 0.00 4.37 1.03 -1.62 0.40 112.91 118.18 1uqr h THR 79 Ca 0.00 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 1uqr h THR 79 Cb 0.18 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1uqr h THR 79 CO 0.00 0.20 -0.73 1.41 -0.01 0.00 0.00 175.52 176.39 1uqr n HIS 80 N -4.21 0.44 0.00 0.00 8.25 -0.82 -0.47 115.22 118.40 1uqr n HIS 80 Ca -0.02 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1uqr n HIS 80 Cb 0.27 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1uqr n HIS 80 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1uqr n THR 81 N -2.03 0.00 -3.01 1.59 -2.24 -1.01 -4.78 114.28 102.80 1uqr n THR 81 Ca 0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 1uqr n THR 81 Cb 0.43 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1uqr n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uqr s SER 82 N -1.45 6.57 0.28 3.42 0.15 0.10 -4.79 113.70 117.98 1uqr s SER 82 Ca 0.00 -2.02 0.12 0.00 0.70 0.00 0.00 55.95 54.75 1uqr s SER 82 Cb 0.00 -2.36 0.37 0.00 -1.71 0.00 0.00 66.02 62.33 1uqr s SER 82 CO 0.00 -1.01 1.61 0.58 1.20 0.00 0.00 173.24 175.62 1uqr h VAL 83 N 5.66 1.34 -0.82 4.45 2.07 -1.92 -2.87 116.25 124.17 1uqr h VAL 83 Ca 0.07 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1uqr h VAL 83 Cb 1.04 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1uqr h VAL 83 CO 1.05 0.58 0.43 0.00 0.02 0.00 0.00 177.57 179.65 1uqr h ALA 84 N 1.41 1.05 -0.15 1.67 0.00 -1.98 -0.15 119.26 121.10 1uqr h ALA 84 Ca -0.01 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1uqr h ALA 84 Cb 1.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1uqr h ALA 84 CO 0.08 0.57 -0.58 0.82 0.00 0.00 0.00 179.25 180.14 1uqr h ILE 85 N 1.14 1.34 -0.05 0.00 2.04 -1.93 -1.44 117.51 118.61 1uqr h ILE 85 Ca 0.29 -1.86 0.02 0.00 1.00 0.00 0.00 64.86 64.30 1uqr h ILE 85 Cb 0.05 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1uqr h ILE 85 CO -0.04 0.57 -0.05 -0.09 0.00 0.00 0.00 178.15 178.54 1uqr h ARG 86 N 0.37 -0.06 0.00 2.37 2.43 -1.20 -1.08 114.38 117.20 1uqr h ARG 86 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1uqr h ARG 86 Cb 1.12 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1uqr h ARG 86 CO 0.10 -0.04 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.85 1uqr h ASP 87 N -0.06 0.00 -0.21 -3.80 3.32 -0.92 -1.22 116.42 113.53 1uqr h ASP 87 Ca 0.04 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1uqr h ASP 87 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1uqr h ASP 87 CO -0.09 0.24 -0.15 0.00 -1.72 0.00 0.00 179.24 177.52 1uqr h ALA 88 N 1.76 0.30 -0.66 3.45 0.00 -0.68 0.55 119.26 123.98 1uqr h ALA 88 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1uqr h ALA 88 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1uqr h ALA 88 CO 0.03 0.19 0.19 -0.07 0.00 0.00 0.00 179.25 179.59 1uqr h LEU 89 N 0.17 0.95 -0.55 0.00 3.38 -0.84 -2.40 115.31 116.01 1uqr h LEU 89 Ca 0.04 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.68 1uqr h LEU 89 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1uqr h LEU 89 CO 0.04 0.90 -0.55 -0.07 0.09 0.00 0.00 178.44 178.85 1uqr h LEU 90 N 0.98 0.55 -1.22 1.67 3.38 -1.14 -2.80 115.31 116.73 1uqr h LEU 90 Ca 0.21 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1uqr h LEU 90 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1uqr h LEU 90 CO -0.01 0.99 0.02 0.00 0.09 0.00 0.00 178.44 179.53 1uqr h ALA 91 N 1.02 1.37 -0.00 1.53 0.00 -0.52 -2.79 119.26 119.86 1uqr h ALA 91 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1uqr h ALA 91 Cb 1.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1uqr h ALA 91 CO 0.10 0.44 -0.36 1.33 0.00 0.00 0.00 179.25 180.76 1uqr n VAL 92 N -4.29 0.00 -3.76 0.00 0.24 -0.94 -4.98 118.33 104.60 1uqr n VAL 92 Ca 0.02 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 62.01 1uqr n VAL 92 Cb 0.24 0.35 0.02 0.00 -1.47 0.00 0.00 33.84 32.98 1uqr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uqr n SER 93 N -0.97 -0.92 -4.21 -1.34 7.64 -1.05 -4.74 113.62 108.03 1uqr n SER 93 Ca 0.10 -0.87 -0.34 0.00 1.01 0.00 0.00 58.87 58.77 1uqr n SER 93 Cb 0.34 -3.80 -0.15 0.00 -1.01 0.00 0.00 64.21 59.59 1uqr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uqr s ILE 94 N -3.75 2.54 0.58 0.44 1.01 -1.25 -5.09 121.20 115.69 1uqr s ILE 94 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 1uqr s ILE 94 Cb -0.00 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1uqr s ILE 94 CO 0.83 0.50 1.27 -2.16 0.00 0.00 0.00 174.94 175.39 1uqr s PRO 95 N 1.20 2.97 0.08 2.79 0.04 -1.26 -4.77 135.00 136.04 1uqr s PRO 95 Ca 0.02 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 1uqr s PRO 95 Cb -0.14 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.35 1uqr s PRO 95 CO -0.07 -1.26 0.18 -0.59 0.04 0.00 0.00 177.00 175.31 1uqr s PHE 96 N -1.44 0.16 -0.09 0.56 -0.71 -1.26 -1.46 117.98 113.75 1uqr s PHE 96 Ca 0.76 -0.58 0.04 0.00 -1.04 0.00 0.00 56.93 56.11 1uqr s PHE 96 Cb -0.35 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.38 1uqr s PHE 96 CO 0.39 -0.53 -0.22 0.42 -1.34 0.00 0.00 175.22 173.95 1uqr s ILE 97 N -3.75 2.28 -0.13 -4.49 1.01 -0.53 -0.22 121.20 115.35 1uqr s ILE 97 Ca 0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 1uqr s ILE 97 Cb 0.05 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1uqr s ILE 97 CO -0.10 0.56 0.38 -0.70 0.00 0.00 0.00 174.94 175.07 1uqr s GLU 98 N 0.08 4.25 -0.02 2.79 2.12 -0.65 -1.41 118.70 125.86 1uqr s GLU 98 Ca -0.10 0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.55 1uqr s GLU 98 Cb -0.16 -3.41 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 1uqr s GLU 98 CO 0.06 0.25 -0.20 0.08 -0.54 0.00 0.00 175.26 174.92 1uqr s VAL 99 N 0.37 1.56 -0.02 3.70 1.01 -0.04 -1.17 120.40 125.80 1uqr s VAL 99 Ca 0.21 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1uqr s VAL 99 Cb -0.14 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1uqr s VAL 99 CO 0.07 0.44 -0.02 -1.00 0.00 0.00 0.00 175.10 174.59 1uqr s HIS 100 N -0.44 0.37 0.03 5.22 3.76 -0.38 -4.09 115.29 119.76 1uqr s HIS 100 Ca 0.07 -0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 54.69 1uqr s HIS 100 Cb -0.08 -0.35 -0.17 0.00 1.11 0.00 0.00 32.58 33.09 1uqr s HIS 100 CO -0.01 -0.08 1.44 -0.07 -0.85 0.00 0.00 174.74 175.18 1uqr h LEU 101 N 6.73 0.06-10.48 0.89 3.38 -1.87 -1.85 115.31 112.17 1uqr h LEU 101 Ca -0.36 -0.32 -0.45 0.00 0.09 0.00 0.00 57.88 56.84 1uqr h LEU 101 Cb 1.16 -0.02 0.05 0.00 0.09 0.00 0.00 40.66 41.95 1uqr h LEU 101 CO 0.49 0.36 0.06 -0.94 0.09 0.00 0.00 178.44 178.50 1uqr s SER 102 N -5.57 5.34 -0.66 -0.43 1.04 -1.26 -1.67 113.70 110.48 1uqr s SER 102 Ca -0.15 0.31 -0.23 0.00 0.48 0.00 0.00 55.95 56.37 1uqr s SER 102 Cb 0.04 -1.23 0.07 0.00 0.10 0.00 0.00 66.02 64.99 1uqr s SER 102 CO 0.68 -1.15 0.98 0.21 0.98 0.00 0.00 173.24 174.93 1uqr s ASN 103 N -4.38 6.17 0.59 7.02 3.04 -1.26 -1.75 114.94 124.38 1uqr s ASN 103 Ca 0.55 -0.96 0.30 0.00 0.04 0.00 0.00 52.86 52.80 1uqr s ASN 103 Cb -0.10 -2.42 1.84 0.00 -1.54 0.00 0.00 41.25 39.02 1uqr s ASN 103 CO 0.41 -1.46 2.25 -0.37 -3.04 0.00 0.00 177.10 174.89 1uqr h VAL 104 N 5.98 0.49 0.00 -5.21 -1.51 -1.91 -1.42 116.25 112.67 1uqr h VAL 104 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1uqr h VAL 104 Cb 1.07 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1uqr h VAL 104 CO 1.18 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 178.93 1uqr n HIS 105 N -3.81 0.88 0.35 5.19 8.25 -1.26 -3.24 115.22 121.58 1uqr n HIS 105 Ca -0.03 0.27 0.10 0.00 -0.26 0.00 0.00 57.72 57.81 1uqr n HIS 105 Cb 0.11 -0.94 0.27 0.00 1.12 0.00 0.00 29.99 30.54 1uqr n HIS 105 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uqr n ALA 106 N -1.77 2.43 -2.52 -1.41 0.00 -0.53 -4.94 120.51 111.76 1uqr n ALA 106 Ca 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1uqr n ALA 106 Cb 0.39 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1uqr n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uqr n ARG 107 N 1.18 3.85 -1.64 0.00 1.74 -1.20 -5.08 116.66 115.50 1uqr n ARG 107 Ca 0.19 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.91 1uqr n ARG 107 Cb 0.51 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.03 1uqr n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1uqr s GLU 108 N 2.65 2.40 0.46 5.56 8.01 -1.26 -4.90 118.70 131.61 1uqr s GLU 108 Ca 0.00 2.00 0.15 0.00 0.01 0.00 0.00 54.97 57.13 1uqr s GLU 108 Cb 0.00 -1.84 1.09 0.00 -4.31 0.00 0.00 34.13 29.08 1uqr s GLU 108 CO 0.00 -1.69 2.01 -1.35 0.01 0.00 0.00 175.26 174.24 1uqr h PRO 109 N 0.30 0.30 0.00 0.39 0.11 -1.95 -1.69 132.00 129.46 1uqr h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1uqr h PRO 109 Cb 1.33 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uqr h PRO 109 CO 0.52 0.20 0.00 0.27 -0.21 0.00 0.00 178.00 178.78 1uqr h PHE 110 N 0.31 0.00 -0.02 0.65 -5.15 -1.97 -1.06 116.94 109.71 1uqr h PHE 110 Ca 0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.99 1uqr h PHE 110 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 1uqr h PHE 110 CO -0.00 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 1uqr n ARG 111 N -2.81 1.33 0.10 6.09 1.74 -0.64 -3.48 116.66 118.99 1uqr n ARG 111 Ca -0.01 -0.48 0.13 0.00 -0.77 0.00 0.00 57.85 56.72 1uqr n ARG 111 Cb 0.17 -1.46 0.34 0.00 -1.02 0.00 0.00 32.46 30.49 1uqr n ARG 111 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uqr h HIS 112 N 1.14 0.00 -2.96 -1.55 3.86 -1.32 -3.44 115.15 110.88 1uqr h HIS 112 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1uqr h HIS 112 Cb 0.24 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.60 1uqr h HIS 112 CO 0.01 0.00 -0.54 -1.58 0.86 0.00 0.00 177.93 176.68 1uqr s HIS 113 N -3.12 3.41 0.01 2.45 5.65 -1.23 -5.07 115.29 117.39 1uqr s HIS 113 Ca 0.09 0.36 0.01 0.00 0.25 0.00 0.00 55.06 55.77 1uqr s HIS 113 Cb 0.12 -1.91 -0.01 0.00 -1.18 0.00 0.00 32.58 29.60 1uqr s HIS 113 CO 0.63 0.57 -0.04 0.45 -0.65 0.00 0.00 174.74 175.70 1uqr s SER 114 N -0.79 0.43 0.00 9.88 0.15 -1.26 -4.24 113.70 117.87 1uqr s SER 114 Ca 0.13 -0.24 0.21 0.00 0.70 0.00 0.00 55.95 56.75 1uqr s SER 114 Cb -0.12 0.00 0.53 0.00 -1.71 0.00 0.00 66.02 64.72 1uqr s SER 114 CO 0.03 -0.07 1.45 -1.22 1.20 0.00 0.00 173.24 174.62 1uqr n TYR 115 N 2.43 0.52 0.00 3.44 4.01 0.38 -4.42 117.16 123.51 1uqr n TYR 115 Ca -0.17 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 1uqr n TYR 115 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 1uqr n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uqr n LEU 116 N 1.15 1.80 -0.35 7.72 4.77 -1.26 -4.70 117.00 126.13 1uqr n LEU 116 Ca 0.19 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.31 1uqr n LEU 116 Cb 0.51 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.94 1uqr n LEU 116 CO 0.14 0.30 1.18 0.28 -1.33 0.00 0.00 177.39 177.97 1uqr h SER 117 N 0.00 0.75 0.91 -1.43 0.02 -1.91 -1.38 113.55 110.50 1uqr h SER 117 Ca 0.00 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1uqr h SER 117 Cb 0.91 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 1uqr h SER 117 CO 0.00 0.22 -0.03 -2.24 -1.14 0.00 0.00 176.83 173.64 1uqr h ASP 118 N 0.71 0.00 -0.15 3.07 -0.00 -1.88 -2.98 116.42 115.19 1uqr h ASP 118 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.63 1uqr h ASP 118 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.31 1uqr h ASP 118 CO -0.41 0.03 0.00 1.33 -0.00 0.00 0.00 179.24 180.19 1uqr n VAL 119 N -3.15 0.31 -2.62 4.15 0.24 -0.58 -4.99 118.33 111.69 1uqr n VAL 119 Ca 0.00 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.34 61.33 1uqr n VAL 119 Cb 0.30 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.68 1uqr n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uqr s ALA 120 N -1.12 3.18 0.15 2.33 0.00 -0.86 -4.82 121.76 120.63 1uqr s ALA 120 Ca 0.20 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.08 1uqr s ALA 120 Cb 0.13 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.33 1uqr s ALA 120 CO 0.18 -0.11 1.64 -0.22 0.00 0.00 0.00 175.76 177.25 1uqr h LYS 121 N 1.15 0.84 -3.00 0.00 1.63 -0.93 -3.47 116.57 112.79 1uqr h LYS 121 Ca -0.47 -0.23 0.06 0.00 -0.85 0.00 0.00 60.65 59.16 1uqr h LYS 121 Cb 1.18 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.67 1uqr h LYS 121 CO 0.62 0.83 0.23 0.20 -3.45 0.00 0.00 179.45 177.89 1uqr s GLY 122 N -3.31 -0.05 -0.01 5.01 0.00 -1.25 -5.06 107.32 102.66 1uqr s GLY 122 Ca -0.13 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.26 1uqr s GLY 122 CO 0.81 -0.11 -0.04 0.14 0.00 0.00 0.00 173.10 173.90 1uqr s VAL 123 N -3.79 0.30 -0.13 1.40 1.01 -1.26 -1.63 120.40 116.30 1uqr s VAL 123 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 1uqr s VAL 123 Cb -0.06 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.08 1uqr s VAL 123 CO 0.07 0.09 -0.08 -0.63 0.00 0.00 0.00 175.10 174.56 1uqr s ILE 124 N 0.02 1.13 -0.03 2.22 1.01 -0.32 -4.98 121.20 120.24 1uqr s ILE 124 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1uqr s ILE 124 Cb -0.03 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.28 1uqr s ILE 124 CO -0.00 0.30 -0.04 0.00 0.00 0.00 0.00 174.94 175.20 1uqr n GLY 126 N 3.86 0.72 1.77 0.00 0.00 -0.69 -4.72 105.19 106.13 1uqr n GLY 126 Ca -0.24 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.86 1uqr n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uqr n LEU 127 N 0.00 5.50 0.00 0.99 4.77 -1.18 -4.67 117.00 122.41 1uqr n LEU 127 Ca 0.00 -2.91 0.00 0.00 -0.03 0.00 0.00 56.01 53.07 1uqr n LEU 127 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 1uqr n LEU 127 CO 0.00 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1uqr n GLY 128 N 0.55 0.96 0.31 -0.72 0.00 -0.67 -3.04 105.19 102.58 1uqr n GLY 128 Ca 0.27 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.75 1uqr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 129 N -0.98 1.65 0.00 4.61 0.00 -1.95 -1.58 119.26 121.02 1uqr h ALA 129 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uqr h ALA 129 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 129 CO 0.00 -0.10 -0.07 0.87 0.00 0.00 0.00 179.25 179.95 1uqr h LYS 130 N 0.00 0.00 -0.78 0.00 1.57 -1.97 -2.17 116.57 113.22 1uqr h LYS 130 Ca 0.03 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1uqr h LYS 130 Cb 0.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1uqr h LYS 130 CO -0.00 0.07 0.51 0.78 -0.57 0.00 0.00 179.45 180.24 1uqr h GLY 131 N 0.52 1.04 1.31 3.86 0.00 -1.35 -0.57 103.07 107.88 1uqr h GLY 131 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 1uqr h GLY 131 CO 0.01 0.20 -0.23 -0.97 0.00 0.00 0.00 176.54 175.55 1uqr h TYR 132 N 0.77 0.91 -0.70 5.60 0.05 -1.58 -1.65 116.97 120.36 1uqr h TYR 132 Ca 0.35 -0.21 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 1uqr h TYR 132 Cb 0.36 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.85 1uqr h TYR 132 CO -0.00 0.95 0.30 -0.44 -1.05 0.00 0.00 178.16 177.92 1uqr h ASP 133 N 0.69 0.95 -0.44 3.88 3.32 -1.19 -0.42 116.42 123.21 1uqr h ASP 133 Ca 0.09 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1uqr h ASP 133 Cb 0.76 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1uqr h ASP 133 CO 0.06 0.85 -0.22 1.88 -1.72 0.00 0.00 179.24 180.10 1uqr h TYR 134 N 0.99 1.09 -0.73 4.55 0.05 -1.17 -1.43 116.97 120.31 1uqr h TYR 134 Ca 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1uqr h TYR 134 Cb 0.18 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.63 1uqr h TYR 134 CO 0.01 1.07 0.38 0.00 -1.05 0.00 0.00 178.16 178.57 1uqr h ALA 135 N 0.92 0.94 -0.51 3.88 0.00 -0.96 -1.12 119.26 122.42 1uqr h ALA 135 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1uqr h ALA 135 Cb 0.78 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1uqr h ALA 135 CO 0.06 0.48 0.14 1.25 0.00 0.00 0.00 179.25 181.18 1uqr h LEU 136 N 1.02 0.76 -0.47 0.00 5.85 -0.86 -0.38 115.31 121.23 1uqr h LEU 136 Ca 0.26 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1uqr h LEU 136 Cb 0.08 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1uqr h LEU 136 CO -0.04 0.78 0.28 -0.78 -0.34 0.00 0.00 178.44 178.35 1uqr h ASP 137 N 0.70 0.45 -0.24 1.25 1.82 -0.90 -0.95 116.42 118.55 1uqr h ASP 137 Ca 0.16 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1uqr h ASP 137 Cb 0.31 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1uqr h ASP 137 CO -0.00 0.32 0.03 0.15 -1.61 0.00 0.00 179.24 178.13 1uqr h PHE 138 N 0.56 0.43 -0.41 0.28 3.57 -0.98 -2.20 116.94 118.20 1uqr h PHE 138 Ca 0.19 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1uqr h PHE 138 Cb 0.02 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 1uqr h PHE 138 CO -0.07 0.54 0.06 0.00 -2.23 0.00 0.00 178.31 176.61 1uqr h ALA 139 N 0.84 0.43 -0.63 2.41 0.00 -0.79 -0.45 119.26 121.07 1uqr h ALA 139 Ca 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1uqr h ALA 139 Cb 0.35 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1uqr h ALA 139 CO 0.01 -0.34 0.25 0.82 0.00 0.00 0.00 179.25 179.99 1uqr h ILE 140 N 0.18 1.22 -0.26 0.00 2.04 -1.09 -0.37 117.51 119.24 1uqr h ILE 140 Ca 0.20 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 1uqr h ILE 140 Cb 0.26 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1uqr h ILE 140 CO -0.28 0.28 -0.18 0.77 0.00 0.00 0.00 178.15 178.73 1uqr h SER 141 N 0.90 0.44 -0.31 1.72 4.64 -0.65 0.16 113.55 120.45 1uqr h SER 141 Ca 0.21 -0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.23 1uqr h SER 141 Cb 0.18 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1uqr h SER 141 CO -0.02 0.64 -0.51 -0.33 -0.87 0.00 0.00 176.83 175.74 1uqr h GLU 142 N 0.41 0.90 -0.15 4.77 4.39 -0.39 -2.50 114.58 122.01 1uqr h GLU 142 Ca 0.07 -0.55 -0.09 0.00 0.34 0.00 0.00 59.36 59.13 1uqr h GLU 142 Cb 0.55 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1uqr h GLU 142 CO 0.04 1.19 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.68 1uqr h LEU 143 N 0.69 0.30 -0.73 1.33 3.38 -0.71 -2.56 115.31 117.02 1uqr h LEU 143 Ca 0.02 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1uqr h LEU 143 Cb 1.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1uqr h LEU 143 CO 0.12 0.61 -0.07 1.56 0.09 0.00 0.00 178.44 180.75 1uqr h GLN 144 N 0.26 0.90 -0.66 1.13 4.20 -0.84 -1.18 115.11 118.91 1uqr h GLN 144 Ca 0.03 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 1uqr h GLN 144 Cb 0.70 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1uqr h GLN 144 CO 0.05 0.94 0.34 0.87 -0.67 0.00 0.00 178.83 180.36 1uqr h LYS 145 N 0.81 0.93 -0.01 1.46 1.57 -1.07 0.57 116.57 120.83 1uqr h LYS 145 Ca 0.14 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1uqr h LYS 145 Cb 0.59 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1uqr h LYS 145 CO 0.04 0.72 0.00 0.82 -0.57 0.00 0.00 179.45 180.46 1uqr h ILE 146 N 0.90 1.10 -0.88 1.86 2.04 -1.17 -1.06 117.51 120.31 1uqr h ILE 146 Ca 0.23 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1uqr h ILE 146 Cb 0.07 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1uqr h ILE 146 CO -0.03 0.08 0.57 1.56 0.00 0.00 0.00 178.15 180.32 1uqr h GLN 147 N -0.11 1.16 -0.53 2.37 4.20 -0.97 -1.07 115.11 120.16 1uqr h GLN 147 Ca 0.00 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1uqr h GLN 147 Cb 0.12 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 1uqr h GLN 147 CO -0.00 0.78 0.24 1.25 -0.67 0.00 0.00 178.83 180.43 1uqr h LEU 148 N 1.19 0.71 -1.72 1.46 6.46 -0.65 -1.78 115.31 120.98 1uqr h LEU 148 Ca 0.32 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1uqr h LEU 148 Cb -0.12 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1uqr h LEU 148 CO -0.07 0.65 -0.12 1.23 -0.62 0.00 0.00 178.44 179.52 1uqr h GLY 149 N 0.71 0.00 0.59 3.75 0.00 -0.51 -0.87 103.07 106.74 1uqr h GLY 149 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1uqr h GLY 149 CO -0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.70 1uqr n GLU 150 N -3.42 0.33 0.00 4.80 1.02 -0.47 -4.86 120.64 118.04 1uqr n GLU 150 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1uqr n GLU 150 Cb 0.29 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1uqr n GLU 150 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1uqr n MET 151 N -0.79 0.00 0.00 3.49 2.81 -0.33 -5.10 117.12 117.20 1uqr n MET 151 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1uqr n MET 151 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 1uqr n MET 151 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36