#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex h VAL 2 N 0.00 1.54 -0.00 -1.45 -1.51 -2.01 -3.23 116.25 109.59 2qex h VAL 2 Ca 0.00 -2.95 0.00 0.00 -1.23 0.00 0.00 66.70 62.52 2qex h VAL 2 Cb 0.00 2.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2qex h VAL 2 CO 0.00 0.86 -0.56 0.00 -1.23 0.00 0.00 177.57 176.64 2qex n TYR 3 N -3.55 0.00 -3.53 5.19 0.18 -1.26 -4.82 117.16 109.37 2qex n TYR 3 Ca -0.05 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.36 2qex n TYR 3 Cb 0.92 -0.17 -0.08 0.00 -0.38 0.00 0.00 39.34 39.63 2qex n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2qex s VAL 4 N -2.90 5.29 -0.03 -3.48 1.01 -1.22 -4.87 120.40 114.20 2qex s VAL 4 Ca 0.13 0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.60 2qex s VAL 4 Cb 0.17 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 33.01 2qex s VAL 4 CO 0.70 0.32 0.95 0.47 0.00 0.00 0.00 175.10 177.54 2qex n ASP 5 N 4.22 1.61 -3.64 3.32 8.00 -1.26 -4.75 116.55 124.05 2qex n ASP 5 Ca -0.12 -2.09 -0.10 0.00 0.71 0.00 0.00 54.79 53.19 2qex n ASP 5 Cb 0.52 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 2qex n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2qex s PHE 6 N -1.20 -0.55 0.00 1.24 -0.12 -1.26 -5.13 117.98 110.97 2qex s PHE 6 Ca 0.07 1.32 -0.17 0.00 -0.05 0.00 0.00 56.93 58.10 2qex s PHE 6 Cb 0.06 0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 2qex s PHE 6 CO 0.01 -0.26 0.48 0.34 -0.05 0.00 0.00 175.22 175.74 2qex s ASP 7 N 0.31 6.88 -0.24 1.98 2.15 -1.26 -4.98 116.67 121.50 2qex s ASP 7 Ca 0.02 1.04 -0.08 0.00 0.43 0.00 0.00 52.55 53.96 2qex s ASP 7 Cb -0.05 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.24 2qex s ASP 7 CO -0.05 0.23 0.09 -0.69 -0.17 0.00 0.00 175.17 174.58 2qex s VAL 8 N -0.70 4.62 0.33 1.11 1.01 -1.26 -5.08 120.40 120.43 2qex s VAL 8 Ca 0.26 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2qex s VAL 8 Cb -0.17 -3.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 2qex s VAL 8 CO 0.15 0.35 1.42 -2.65 0.00 0.00 0.00 175.10 174.38 2qex n PRO 9 N 4.57 2.39 -0.32 2.72 -0.02 -1.26 -4.82 135.00 138.27 2qex n PRO 9 Ca -0.16 0.84 0.22 0.00 -2.02 0.00 0.00 63.50 62.38 2qex n PRO 9 Cb 0.52 -2.52 0.49 0.00 -0.02 0.00 0.00 33.50 31.97 2qex n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qex h ALA 10 N 3.29 2.18 -0.62 3.55 0.00 -1.99 0.07 119.26 125.75 2qex h ALA 10 Ca -0.48 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 2qex h ALA 10 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2qex h ALA 10 CO 0.68 -0.57 0.02 -0.44 0.00 0.00 0.00 179.25 178.93 2qex h ASP 11 N 0.42 1.04 -0.34 0.00 3.32 -2.00 -1.40 116.42 117.47 2qex h ASP 11 Ca 0.58 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 2qex h ASP 11 Cb 1.42 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2qex h ASP 11 CO -0.29 1.08 -0.11 0.25 -1.72 0.00 0.00 179.24 178.45 2qex h LEU 12 N 0.98 0.68 -1.00 1.55 6.46 -1.37 -2.73 115.31 119.88 2qex h LEU 12 Ca 0.18 -0.38 0.04 0.00 -0.12 0.00 0.00 57.88 57.60 2qex h LEU 12 Cb 0.54 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 2qex h LEU 12 CO 0.03 0.90 0.65 -0.08 -0.62 0.00 0.00 178.44 179.32 2qex h GLU 13 N 0.45 1.23 -0.38 1.25 4.81 -1.16 -1.09 114.58 119.69 2qex h GLU 13 Ca 0.08 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2qex h GLU 13 Cb 0.62 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2qex h GLU 13 CO 0.04 0.81 0.22 -0.44 -0.73 0.00 0.00 179.01 178.91 2qex h ASP 14 N 1.27 0.35 -0.04 1.04 3.32 -1.08 -0.60 116.42 120.67 2qex h ASP 14 Ca 0.40 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.47 2qex h ASP 14 Cb -0.01 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2qex h ASP 14 CO -0.12 0.25 -0.07 0.44 -1.72 0.00 0.00 179.24 178.02 2qex h ASP 15 N 0.45 -0.21 -0.66 6.45 3.32 -1.04 -1.77 116.42 122.95 2qex h ASP 15 Ca 0.15 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.29 2qex h ASP 15 Cb 0.02 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 2qex h ASP 15 CO -0.08 -0.10 0.38 0.00 -1.72 0.00 0.00 179.24 177.72 2qex h ALA 16 N 0.93 0.88 -0.07 3.45 0.00 -0.83 -1.98 119.26 121.63 2qex h ALA 16 Ca 0.04 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2qex h ALA 16 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qex h ALA 16 CO -0.10 0.07 -0.56 -0.07 0.00 0.00 0.00 179.25 178.58 2qex h LEU 17 N 0.70 0.25 -0.25 0.00 3.38 -0.92 -2.57 115.31 115.91 2qex h LEU 17 Ca 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2qex h LEU 17 Cb 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qex h LEU 17 CO -0.17 0.77 0.11 -0.33 0.09 0.00 0.00 178.44 178.91 2qex h GLU 18 N 0.17 0.36 -0.18 1.13 5.08 -0.84 -2.67 114.58 117.64 2qex h GLU 18 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2qex h GLU 18 Cb 1.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2qex h GLU 18 CO 0.09 0.38 -0.14 0.00 -1.00 0.00 0.00 179.01 178.34 2qex h ALA 19 N 0.96 1.44 -0.36 3.43 0.00 -1.32 -2.76 119.26 120.65 2qex h ALA 19 Ca 0.08 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2qex h ALA 19 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qex h ALA 19 CO -0.01 0.39 -0.25 1.25 0.00 0.00 0.00 179.25 180.63 2qex h LEU 20 N 0.27 0.73 -0.56 0.00 5.85 -1.26 -1.35 115.31 118.99 2qex h LEU 20 Ca 0.05 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 2qex h LEU 20 Cb 0.42 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2qex h LEU 20 CO 0.02 0.96 0.14 -0.33 -0.34 0.00 0.00 178.44 178.89 2qex h GLU 21 N 0.62 0.90 0.00 1.25 5.08 -1.19 -1.10 114.58 120.15 2qex h GLU 21 Ca 0.08 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2qex h GLU 21 Cb 0.75 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2qex h GLU 21 CO 0.06 0.84 0.00 1.33 -1.00 0.00 0.00 179.01 180.24 2qex n VAL 22 N -4.39 0.66 0.10 3.13 0.24 -1.14 -2.75 118.33 114.17 2qex n VAL 22 Ca 0.03 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.07 2qex n VAL 22 Cb 0.24 -0.77 -0.13 0.00 -1.47 0.00 0.00 33.84 31.70 2qex n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qex h ALA 23 N 2.45 0.15 0.00 2.33 0.00 -0.34 -0.97 119.26 122.88 2qex h ALA 23 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 53.94 2qex h ALA 23 Cb 0.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qex h ALA 23 CO 0.00 1.01 -0.44 0.07 0.00 0.00 0.00 179.25 179.89 2qex h ARG 24 N 0.07 0.00 0.14 0.00 0.11 -1.05 -0.21 114.38 113.44 2qex h ARG 24 Ca -0.11 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.62 2qex h ARG 24 Cb 1.92 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.99 2qex h ARG 24 CO 0.19 0.44 -1.83 -0.44 0.10 0.00 0.00 179.97 178.44 2qex h ASP 25 N 0.00 0.45 0.00 0.08 3.32 -1.55 -3.44 116.42 115.28 2qex h ASP 25 Ca -0.00 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.23 2qex h ASP 25 Cb 0.99 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2qex h ASP 25 CO 0.06 1.71 -0.24 0.41 -1.72 0.00 0.00 179.24 179.46 2qex n THR 26 N -3.48 0.57 0.00 0.35 -1.04 -0.37 -5.02 114.28 105.29 2qex n THR 26 Ca -0.26 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2qex n THR 26 Cb 1.06 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2qex n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qex n GLY 27 N 1.66 0.98 2.88 3.41 0.00 -0.11 -4.88 105.19 109.14 2qex n GLY 27 Ca -0.03 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 2qex n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex s ALA 28 N -3.63 -0.04 0.07 4.61 0.00 -0.61 -4.66 121.76 117.50 2qex s ALA 28 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.08 2qex s ALA 28 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2qex s ALA 28 CO 0.00 -0.02 -0.14 0.14 0.00 0.00 0.00 175.76 175.74 2qex s VAL 29 N 0.09 1.13 -0.19 0.00 -7.23 -1.26 -0.33 120.40 112.60 2qex s VAL 29 Ca -0.01 -1.25 -0.06 0.00 -1.81 0.00 0.00 61.98 58.86 2qex s VAL 29 Cb -0.01 -1.07 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 2qex s VAL 29 CO -0.00 -0.17 0.01 -0.54 -0.31 0.00 0.00 175.10 174.09 2qex s LYS 30 N -1.61 3.72 -0.19 4.82 -0.14 0.19 -4.84 119.74 121.69 2qex s LYS 30 Ca -0.01 -0.47 -0.05 0.00 -1.36 0.00 0.00 55.97 54.08 2qex s LYS 30 Cb -0.10 -3.10 -0.03 0.00 -1.68 0.00 0.00 37.83 32.93 2qex s LYS 30 CO 0.02 0.11 0.00 0.15 -0.76 0.00 0.00 175.35 174.87 2qex s LYS 31 N 0.77 3.67 0.00 1.68 1.02 -1.26 -1.06 119.74 124.55 2qex s LYS 31 Ca 0.01 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.50 2qex s LYS 31 Cb -0.14 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2qex s LYS 31 CO 0.02 0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 2qex n GLY 32 N 4.02 3.16 0.37 -3.33 0.00 -0.95 -4.69 105.19 103.77 2qex n GLY 32 Ca -0.17 -1.59 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 2qex n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qex h THR 33 N 0.00 1.26 0.53 2.61 2.02 -1.94 -1.00 112.91 116.39 2qex h THR 33 Ca 0.00 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 2qex h THR 33 Cb 0.00 -0.10 0.01 0.00 -1.74 0.00 0.00 68.15 66.32 2qex h THR 33 CO 0.00 0.27 -0.25 -1.13 0.37 0.00 0.00 175.52 174.77 2qex h ASN 34 N 1.31 -0.60 -0.61 4.18 -1.24 -1.94 -0.84 115.58 115.84 2qex h ASN 34 Ca 0.34 -0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.34 2qex h ASN 34 Cb -0.08 0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.10 2qex h ASN 34 CO -0.07 -0.35 0.40 -0.33 -1.29 0.00 0.00 177.43 175.80 2qex h GLU 35 N -0.83 0.76 -0.37 6.67 5.08 -1.82 -0.71 114.58 123.37 2qex h GLU 35 Ca -0.07 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2qex h GLU 35 Cb 0.60 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2qex h GLU 35 CO 0.12 0.51 -0.06 1.15 -1.00 0.00 0.00 179.01 179.73 2qex h THR 36 N 0.79 1.23 -0.06 1.13 2.02 -1.03 -2.54 112.91 114.45 2qex h THR 36 Ca 0.23 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 2qex h THR 36 Cb -0.04 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2qex h THR 36 CO -0.05 0.33 -0.01 0.74 0.37 0.00 0.00 175.52 176.89 2qex h THR 37 N 0.57 1.29 0.00 3.16 2.02 0.35 -2.76 112.91 117.53 2qex h THR 37 Ca 0.11 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 2qex h THR 37 Cb 0.45 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2qex h THR 37 CO 0.02 0.24 -0.14 0.11 0.37 0.00 0.00 175.52 176.13 2qex h LYS 38 N -0.22 0.00 -0.19 6.66 1.57 -1.37 -1.90 116.57 121.11 2qex h LYS 38 Ca 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2qex h LYS 38 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2qex h LYS 38 CO 0.01 0.14 0.02 0.77 -0.57 0.00 0.00 179.45 179.81 2qex h SER 39 N 0.00 0.31 -0.56 0.86 0.02 -1.29 0.30 113.55 113.19 2qex h SER 39 Ca -0.00 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 2qex h SER 39 Cb 0.37 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2qex h SER 39 CO 0.02 0.52 0.11 0.40 -1.14 0.00 0.00 176.83 176.74 2qex h ILE 40 N 0.10 1.25 -0.65 3.27 2.04 -1.18 0.65 117.51 122.98 2qex h ILE 40 Ca 0.06 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 2qex h ILE 40 Cb 0.35 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2qex h ILE 40 CO 0.01 0.34 0.08 -0.33 0.00 0.00 0.00 178.15 178.25 2qex h GLU 41 N 0.81 1.09 0.00 2.37 5.08 -1.15 -2.71 114.58 120.07 2qex h GLU 41 Ca 0.17 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2qex h GLU 41 Cb 0.38 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qex h GLU 41 CO 0.01 1.02 -0.37 0.00 -1.00 0.00 0.00 179.01 178.66 2qex h ARG 42 N 1.01 0.00 0.00 2.33 3.08 -0.34 -3.48 114.38 116.98 2qex h ARG 42 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2qex h ARG 42 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2qex h ARG 42 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2qex n GLY 43 N 1.30 3.17 0.00 0.04 0.00 0.19 -4.93 105.19 104.96 2qex n GLY 43 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qex n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qex n SER 44 N 0.10 0.00 -4.75 1.61 3.41 -1.04 -4.66 113.62 108.29 2qex n SER 44 Ca 0.00 0.32 -0.40 0.00 -0.26 0.00 0.00 58.87 58.53 2qex n SER 44 Cb 0.00 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 2qex n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qex s ALA 45 N -2.61 3.36 -0.17 7.33 0.00 -1.15 -3.83 121.76 124.69 2qex s ALA 45 Ca 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2qex s ALA 45 Cb 0.00 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 2qex s ALA 45 CO 0.00 0.13 -0.19 0.39 0.00 0.00 0.00 175.76 176.09 2qex n GLU 46 N 2.28 0.38 -3.70 0.00 1.02 -0.94 -4.89 120.64 114.79 2qex n GLU 46 Ca -0.02 0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 2qex n GLU 46 Cb 0.49 -1.21 -0.17 0.00 -0.02 0.00 0.00 31.44 30.54 2qex n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qex s LEU 47 N -6.49 0.33 -0.07 -4.62 2.96 -1.24 -3.91 118.68 105.63 2qex s LEU 47 Ca -0.23 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 2qex s LEU 47 Cb 0.08 0.04 -0.03 0.00 0.50 0.00 0.00 46.19 46.78 2qex s LEU 47 CO 0.33 -0.21 -0.10 0.68 -1.32 0.00 0.00 176.35 175.73 2qex s VAL 48 N 1.88 3.41 0.06 1.68 -7.23 -0.59 -0.03 120.40 119.58 2qex s VAL 48 Ca 0.00 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2qex s VAL 48 Cb -0.12 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2qex s VAL 48 CO -0.04 0.58 0.05 -0.36 -0.31 0.00 0.00 175.10 175.03 2qex s PHE 49 N -0.58 3.15 -0.08 2.82 0.40 0.43 -1.47 117.98 122.66 2qex s PHE 49 Ca 0.08 0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.46 2qex s PHE 49 Cb -0.12 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.83 2qex s PHE 49 CO 0.02 0.51 0.13 0.08 0.70 0.00 0.00 175.22 176.66 2qex s VAL 50 N -1.30 -0.22 0.72 -0.44 1.01 -0.38 -1.55 120.40 118.23 2qex s VAL 50 Ca 0.26 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.45 2qex s VAL 50 Cb -0.12 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.02 2qex s VAL 50 CO 0.19 0.13 1.13 0.00 0.00 0.00 0.00 175.10 176.55 2qex s ALA 51 N 2.26 2.25 -0.16 5.51 0.00 0.53 -1.94 121.76 130.21 2qex s ALA 51 Ca 0.04 0.59 0.18 0.00 0.00 0.00 0.00 51.96 52.77 2qex s ALA 51 Cb -0.12 -3.36 -0.27 0.00 0.00 0.00 0.00 23.12 19.36 2qex s ALA 51 CO -0.05 -1.65 0.46 0.39 0.00 0.00 0.00 175.76 174.91 2qex n GLU 52 N -2.86 0.64 -1.21 0.00 1.02 0.78 -4.51 120.64 114.51 2qex n GLU 52 Ca 0.11 -0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 56.81 2qex n GLU 52 Cb 0.52 -1.42 0.06 0.00 -0.02 0.00 0.00 31.44 30.58 2qex n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2qex n ASP 53 N -2.03 7.32 -4.74 1.62 5.75 -1.24 -4.55 116.55 118.68 2qex n ASP 53 Ca -0.02 -3.56 -0.39 0.00 -0.01 0.00 0.00 54.79 50.80 2qex n ASP 53 Cb 0.45 -1.01 -0.05 0.00 -1.03 0.00 0.00 41.12 39.48 2qex n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qex s VAL 54 N -4.02 4.95 -0.21 2.12 1.01 -1.26 -4.87 120.40 118.11 2qex s VAL 54 Ca 0.54 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 2qex s VAL 54 Cb 0.42 -3.99 0.11 0.00 0.00 0.00 0.00 36.38 32.93 2qex s VAL 54 CO -0.02 0.35 0.36 -1.58 0.00 0.00 0.00 175.10 174.21 2qex s GLN 55 N 0.21 0.30 0.71 2.72 -0.44 -1.26 -4.06 119.66 117.84 2qex s GLN 55 Ca 0.34 0.69 -0.15 0.00 -2.50 0.00 0.00 55.36 53.74 2qex s GLN 55 Cb -0.18 -0.23 0.03 0.00 -1.64 0.00 0.00 33.01 30.99 2qex s GLN 55 CO 0.18 -0.48 1.17 -2.14 0.50 0.00 0.00 175.29 174.53 2qex s PRO 56 N 2.53 2.32 0.36 1.67 0.02 -1.26 -5.10 135.00 135.54 2qex s PRO 56 Ca 0.06 1.64 0.19 0.00 0.02 0.00 0.00 61.00 62.91 2qex s PRO 56 Cb -0.14 -1.87 0.23 0.00 0.02 0.00 0.00 34.50 32.75 2qex s PRO 56 CO -0.14 -1.67 1.54 0.93 -0.33 0.00 0.00 177.00 177.33 2qex h GLU 57 N -0.22 0.00 -0.70 5.54 5.08 -2.01 -3.29 114.58 118.98 2qex h GLU 57 Ca -0.47 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.09 2qex h GLU 57 Cb 1.28 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2qex h GLU 57 CO 0.51 0.26 0.51 0.93 -1.00 0.00 0.00 179.01 180.21 2qex h GLU 58 N 0.00 0.00 0.00 2.33 3.07 -1.99 0.89 114.58 118.88 2qex h GLU 58 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qex h GLU 58 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2qex h GLU 58 CO 0.03 0.00 0.00 0.82 -1.40 0.00 0.00 179.01 178.46 2qex h ILE 59 N 0.00 0.00 0.00 3.13 2.04 -1.99 -3.32 117.51 117.38 2qex h ILE 59 Ca 0.33 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2qex h ILE 59 Cb 1.34 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2qex h ILE 59 CO -0.00 0.00 -0.39 0.52 0.00 0.00 0.00 178.15 178.28 2qex n VAL 60 N -2.89 0.00 -0.31 1.67 0.31 0.19 -4.85 118.33 112.44 2qex n VAL 60 Ca -0.02 -0.03 0.23 0.00 -0.01 0.00 0.00 64.34 64.51 2qex n VAL 60 Cb 0.12 0.33 0.43 0.00 -0.91 0.00 0.00 33.84 33.81 2qex n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2qex n MET 61 N -0.64 -0.06 0.26 5.55 2.81 -0.49 -1.15 117.12 123.40 2qex n MET 61 Ca 0.00 1.34 0.12 0.00 -1.81 0.00 0.00 57.70 57.36 2qex n MET 61 Cb 0.00 -2.28 0.73 0.00 -0.71 0.00 0.00 33.22 30.95 2qex n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2qex h HIS 62 N 0.00 0.00 0.25 2.03 2.07 -1.88 -3.35 115.15 114.27 2qex h HIS 62 Ca 0.70 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 58.23 2qex h HIS 62 Cb 1.70 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.65 2qex h HIS 62 CO -0.21 0.11 -0.37 0.82 -3.07 0.00 0.00 177.93 175.21 2qex h ILE 63 N 0.00 0.24 -0.43 6.12 1.08 -1.50 -2.19 117.51 120.82 2qex h ILE 63 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2qex h ILE 63 Cb 0.31 0.24 -0.10 0.00 -3.07 0.00 0.00 36.82 34.21 2qex h ILE 63 CO 0.01 0.00 -0.33 -0.65 -0.69 0.00 0.00 178.15 176.49 2qex h PRO 64 N -0.69 -0.23 -0.12 2.37 0.11 -1.78 0.10 132.00 131.77 2qex h PRO 64 Ca -0.00 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.99 2qex h PRO 64 Cb 0.66 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 2qex h PRO 64 CO -0.14 -0.15 -0.52 1.49 -0.21 0.00 0.00 178.00 178.47 2qex h GLU 65 N -0.24 0.32 -0.00 1.05 4.81 -1.80 -2.86 114.58 115.87 2qex h GLU 65 Ca 0.18 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qex h GLU 65 Cb 0.54 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2qex h GLU 65 CO -0.57 0.76 0.00 1.25 -0.73 0.00 0.00 179.01 179.73 2qex h LEU 66 N 0.25 0.01 -1.50 1.64 5.85 -0.83 -2.57 115.31 118.15 2qex h LEU 66 Ca 0.01 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2qex h LEU 66 Cb 1.00 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 2qex h LEU 66 CO 0.08 0.20 0.41 0.00 -0.34 0.00 0.00 178.44 178.79 2qex h ALA 67 N 0.81 1.79 -0.63 1.25 0.00 -1.01 -2.14 119.26 119.34 2qex h ALA 67 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qex h ALA 67 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qex h ALA 67 CO -0.00 0.11 0.24 -0.44 0.00 0.00 0.00 179.25 179.16 2qex h ASP 68 N 0.61 0.87 -0.19 0.00 3.32 -1.24 -1.54 116.42 118.24 2qex h ASP 68 Ca 0.26 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2qex h ASP 68 Cb 0.26 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2qex h ASP 68 CO -0.08 0.81 0.00 -1.84 -1.72 0.00 0.00 179.24 176.41 2qex n GLU 69 N -4.43 2.26 0.00 3.56 0.28 -0.82 -3.35 120.64 118.14 2qex n GLU 69 Ca 0.04 -1.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.00 2qex n GLU 69 Cb 0.18 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.32 2qex n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2qex n LYS 70 N 0.21 0.00 -0.62 3.44 4.76 -0.99 -5.02 118.16 119.95 2qex n LYS 70 Ca 0.09 -0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 2qex n LYS 70 Cb 0.55 -0.45 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 2qex n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qex n GLY 71 N 0.00 0.23 3.70 0.72 0.00 -0.64 -4.95 105.19 104.24 2qex n GLY 71 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qex n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qex s VAL 72 N -1.69 4.12 0.34 1.61 1.01 -0.85 -5.00 120.40 119.93 2qex s VAL 72 Ca 0.00 1.49 -0.27 0.00 0.00 0.00 0.00 61.98 63.20 2qex s VAL 72 Cb 0.00 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 2qex s VAL 72 CO 0.00 0.04 1.10 -2.84 0.00 0.00 0.00 175.10 173.40 2qex s PRO 73 N 1.82 4.39 0.05 2.72 0.02 -1.25 -4.53 135.00 138.22 2qex s PRO 73 Ca 0.58 1.74 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2qex s PRO 73 Cb -0.27 -2.91 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 2qex s PRO 73 CO 0.25 0.00 -0.05 -0.59 -0.33 0.00 0.00 177.00 176.28 2qex s PHE 74 N -1.35 0.56 0.04 6.54 -0.12 -1.26 -1.54 117.98 120.85 2qex s PHE 74 Ca 0.51 -0.70 0.00 0.00 -0.05 0.00 0.00 56.93 56.69 2qex s PHE 74 Cb -0.29 -0.36 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 2qex s PHE 74 CO 0.37 -0.18 -0.04 -1.50 -0.05 0.00 0.00 175.22 173.81 2qex s ILE 75 N -2.32 0.27 0.33 -4.49 2.07 -0.54 -4.97 121.20 111.55 2qex s ILE 75 Ca -0.04 -1.18 0.01 0.00 -1.41 0.00 0.00 60.65 58.03 2qex s ILE 75 Cb -0.04 -0.66 -0.03 0.00 0.13 0.00 0.00 42.46 41.86 2qex s ILE 75 CO -0.03 -0.59 0.52 -0.36 -1.91 0.00 0.00 174.94 172.58 2qex s PHE 76 N -2.02 3.49 -0.04 3.50 2.99 -1.26 -1.25 117.98 123.39 2qex s PHE 76 Ca -0.09 0.30 -0.03 0.00 0.00 0.00 0.00 56.93 57.12 2qex s PHE 76 Cb -0.06 -1.85 0.02 0.00 0.00 0.00 0.00 43.02 41.13 2qex s PHE 76 CO -0.03 0.16 0.10 0.08 -0.00 0.00 0.00 175.22 175.54 2qex s VAL 77 N -2.27 -0.01 0.07 -0.44 1.01 -0.82 -4.85 120.40 113.09 2qex s VAL 77 Ca 0.39 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 2qex s VAL 77 Cb -0.10 -0.15 -0.15 0.00 0.00 0.00 0.00 36.38 35.98 2qex s VAL 77 CO 0.35 0.02 1.66 -0.33 0.00 0.00 0.00 175.10 176.81 2qex h GLU 78 N 6.34 0.03 -5.95 2.72 4.39 -1.95 0.22 114.58 120.38 2qex h GLU 78 Ca -0.30 -0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.71 2qex h GLU 78 Cb 1.18 -0.01 -0.30 0.00 -0.10 0.00 0.00 28.75 29.53 2qex h GLU 78 CO 0.45 0.10 -0.85 -0.65 -1.16 0.00 0.00 179.01 176.90 2qex s GLN 79 N -5.86 2.67 0.28 2.33 -0.21 -1.26 -3.62 119.66 113.99 2qex s GLN 79 Ca -0.13 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.39 2qex s GLN 79 Cb 0.06 -2.26 0.47 0.00 1.00 0.00 0.00 33.01 32.27 2qex s GLN 79 CO 0.67 0.39 1.90 0.37 -2.12 0.00 0.00 175.29 176.49 2qex h GLN 80 N 6.06 1.08 0.00 2.91 4.15 -1.86 -2.47 115.11 124.98 2qex h GLN 80 Ca -0.33 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.03 2qex h GLN 80 Cb 1.18 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.63 2qex h GLN 80 CO 0.49 0.71 0.00 -0.44 -1.93 0.00 0.00 178.83 177.66 2qex h ASP 81 N 1.11 0.00 0.09 -0.69 3.32 -1.91 -1.65 116.42 116.68 2qex h ASP 81 Ca 0.41 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.22 2qex h ASP 81 Cb 0.19 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.75 2qex h ASP 81 CO -0.16 0.00 -0.94 0.44 -1.72 0.00 0.00 179.24 176.86 2qex h ASP 82 N 0.00 0.78 0.01 6.45 3.32 -1.82 -0.72 116.42 124.43 2qex h ASP 82 Ca 0.00 -0.59 -0.12 0.00 0.02 0.00 0.00 57.03 56.34 2qex h ASP 82 Cb 0.88 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 2qex h ASP 82 CO 0.00 1.38 -0.38 0.25 -1.72 0.00 0.00 179.24 178.77 2qex h LEU 83 N 0.37 0.52 -0.27 1.55 5.85 -1.50 -0.41 115.31 121.41 2qex h LEU 83 Ca -0.09 -0.22 -0.21 0.00 0.84 0.00 0.00 57.88 58.20 2qex h LEU 83 Cb 1.57 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.46 2qex h LEU 83 CO 0.18 0.85 -0.76 1.23 -0.34 0.00 0.00 178.44 179.60 2qex h GLY 84 N 1.09 0.66 1.44 3.75 0.00 -1.43 -0.99 103.07 107.58 2qex h GLY 84 Ca 0.04 -0.95 -0.15 0.00 0.00 0.00 0.00 47.33 46.28 2qex h GLY 84 CO 0.07 0.84 -0.46 0.84 0.00 0.00 0.00 176.54 177.84 2qex h HIS 85 N 0.41 0.74 -0.48 5.60 -0.00 -0.98 0.27 115.15 120.70 2qex h HIS 85 Ca -0.04 -0.23 -0.12 0.00 -0.00 0.00 0.00 60.37 59.97 2qex h HIS 85 Cb 1.37 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.61 2qex h HIS 85 CO 0.07 0.96 -0.18 0.00 -0.00 0.00 0.00 177.93 178.77 2qex h ALA 86 N 1.01 0.77 0.00 5.26 0.00 -1.02 -2.06 119.26 123.21 2qex h ALA 86 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qex h ALA 86 Cb 0.99 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qex h ALA 86 CO 0.09 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.00 2qex n ALA 87 N -2.51 2.09 -1.43 0.00 0.00 -0.38 -3.99 120.51 114.29 2qex n ALA 87 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2qex n ALA 87 Cb 0.44 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2qex n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qex n GLY 88 N 0.70 0.83 3.10 0.00 0.00 -0.78 -5.00 105.19 104.06 2qex n GLY 88 Ca 0.08 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 2qex n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qex s LEU 89 N -2.54 2.25 0.01 0.99 1.43 0.87 -5.00 118.68 116.70 2qex s LEU 89 Ca 0.00 -0.56 0.24 0.00 -1.03 0.00 0.00 54.13 52.79 2qex s LEU 89 Cb 0.00 -0.29 1.03 0.00 0.03 0.00 0.00 46.19 46.96 2qex s LEU 89 CO 0.00 -0.15 1.78 1.21 0.23 0.00 0.00 176.35 179.42 2qex n GLU 90 N 1.46 0.01 -4.64 1.70 2.13 -1.26 -4.11 120.64 115.93 2qex n GLU 90 Ca -0.22 0.09 -0.29 0.00 0.66 0.00 0.00 57.16 57.40 2qex n GLU 90 Cb 0.55 -1.52 -0.08 0.00 0.27 0.00 0.00 31.44 30.65 2qex n GLU 90 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2qex s VAL 91 N -3.01 1.10 0.56 6.31 1.01 -1.26 -5.06 120.40 120.05 2qex s VAL 91 Ca 0.12 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.12 2qex s VAL 91 Cb 0.16 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 34.20 2qex s VAL 91 CO 0.45 0.00 0.78 -0.83 0.00 0.00 0.00 175.10 175.50 2qex s GLY 92 N -3.73 1.83 -0.01 4.51 0.00 -1.26 -4.15 107.32 104.50 2qex s GLY 92 Ca 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2qex s GLY 92 CO 0.10 -1.17 -0.00 -0.45 0.00 0.00 0.00 173.10 171.58 2qex s SER 93 N -4.48 0.12 0.35 1.64 0.15 -0.65 -4.81 113.70 106.02 2qex s SER 93 Ca 0.59 -0.01 0.15 0.00 0.70 0.00 0.00 55.95 57.38 2qex s SER 93 Cb -0.09 -0.04 0.64 0.00 -1.71 0.00 0.00 66.02 64.82 2qex s SER 93 CO 0.39 -0.02 1.75 0.00 1.20 0.00 0.00 173.24 176.55 2qex h ALA 94 N 6.43 1.13 -2.38 5.45 0.00 -1.97 -3.41 119.26 124.53 2qex h ALA 94 Ca -0.30 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 2qex h ALA 94 Cb 1.19 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 2qex h ALA 94 CO 0.50 0.54 0.08 0.00 0.00 0.00 0.00 179.25 180.38 2qex s ALA 95 N -3.84 -1.46 0.00 0.00 0.00 -1.26 -0.34 121.76 114.86 2qex s ALA 95 Ca -0.01 0.82 -0.04 0.00 0.00 0.00 0.00 51.96 52.72 2qex s ALA 95 Cb 0.13 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 2qex s ALA 95 CO 0.72 -0.46 0.08 0.00 0.00 0.00 0.00 175.76 176.09 2qex s ALA 96 N -2.05 -0.17 -0.05 0.00 0.00 -0.60 -2.23 121.76 116.67 2qex s ALA 96 Ca -0.07 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2qex s ALA 96 Cb -0.01 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.22 2qex s ALA 96 CO 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 175.76 175.54 2qex s ALA 97 N -1.22 0.84 -0.64 0.00 0.00 -0.23 0.16 121.76 120.68 2qex s ALA 97 Ca -0.13 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2qex s ALA 97 Cb -0.07 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.60 2qex s ALA 97 CO 0.01 0.00 1.16 0.08 0.00 0.00 0.00 175.76 177.01 2qex s VAL 98 N 0.88 4.00 -1.04 0.00 1.01 0.95 0.55 120.40 126.76 2qex s VAL 98 Ca -0.11 0.54 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 2qex s VAL 98 Cb -0.15 -4.76 0.14 0.00 0.00 0.00 0.00 36.38 31.61 2qex s VAL 98 CO 0.01 -1.49 1.27 0.28 0.00 0.00 0.00 175.10 175.17 2qex s THR 99 N 4.99 4.75 -0.04 3.92 -1.32 0.55 -2.22 115.64 126.27 2qex s THR 99 Ca 0.37 -1.89 -0.03 0.00 -1.21 0.00 0.00 61.69 58.93 2qex s THR 99 Cb -0.09 -4.86 0.01 0.00 -1.51 0.00 0.00 72.50 66.05 2qex s THR 99 CO 0.20 -1.59 0.07 0.47 -2.21 0.00 0.00 174.62 171.55 2qex n ASP 100 N 6.47 -3.44 -3.97 8.08 9.92 -1.25 -3.66 116.55 128.70 2qex n ASP 100 Ca 0.30 0.82 0.00 0.00 -0.53 0.00 0.00 54.79 55.38 2qex n ASP 100 Cb 0.47 -3.19 0.00 0.00 -0.64 0.00 0.00 41.12 37.76 2qex n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qex n ALA 101 N 0.91 0.00 0.00 2.24 0.00 -1.26 -1.57 120.51 120.83 2qex n ALA 101 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qex n ALA 101 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2qex n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qex n GLY 102 N 0.15 2.54 2.76 0.00 0.00 -1.26 -3.61 105.19 105.77 2qex n GLY 102 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 2qex n GLY 102 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qex n GLU 103 N 0.00 -1.66 0.00 1.61 4.71 -1.26 -4.26 120.64 119.78 2qex n GLU 103 Ca 0.00 0.93 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 2qex n GLU 103 Cb 0.00 -5.35 0.00 0.00 -1.01 0.00 0.00 31.44 25.08 2qex n GLU 103 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qex n ALA 104 N 1.23 0.22 -0.18 0.62 0.00 -1.26 -4.91 120.51 116.22 2qex n ALA 104 Ca -0.12 -0.04 0.30 0.00 0.00 0.00 0.00 53.44 53.57 2qex n ALA 104 Cb 0.60 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.74 2qex n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qex h ASP 105 N 0.00 0.00 0.26 0.00 3.32 -1.92 0.40 116.42 118.48 2qex h ASP 105 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qex h ASP 105 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.16 2qex h ASP 105 CO 0.00 0.00 -0.13 0.00 -1.72 0.00 0.00 179.24 177.39 2qex h ALA 106 N 1.23 -0.35 -0.46 3.45 0.00 -1.98 -3.01 119.26 118.14 2qex h ALA 106 Ca 0.45 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2qex h ALA 106 Cb 2.09 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.97 2qex h ALA 106 CO -0.00 -0.40 0.22 -0.44 0.00 0.00 0.00 179.25 178.62 2qex h ASP 107 N -0.95 0.30 -0.62 0.00 3.32 -1.36 -1.67 116.42 115.43 2qex h ASP 107 Ca -0.04 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.15 2qex h ASP 107 Cb 0.48 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 2qex h ASP 107 CO 0.06 0.21 0.21 0.58 -1.72 0.00 0.00 179.24 178.58 2qex h VAL 108 N 0.43 0.72 -0.83 -1.35 2.07 -1.28 0.91 116.25 116.93 2qex h VAL 108 Ca 0.20 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 2qex h VAL 108 Cb 0.13 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2qex h VAL 108 CO -0.16 0.07 0.36 -0.08 0.02 0.00 0.00 177.57 177.78 2qex h GLU 109 N 0.37 1.21 0.15 1.57 4.81 -1.22 -0.86 114.58 120.61 2qex h GLU 109 Ca 0.32 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2qex h GLU 109 Cb 0.43 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2qex h GLU 109 CO -0.35 0.96 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.38 2qex h ASP 110 N 1.19 -0.18 -0.73 1.04 3.32 -0.22 0.08 116.42 120.93 2qex h ASP 110 Ca 0.28 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.27 2qex h ASP 110 Cb 0.17 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 2qex h ASP 110 CO -0.03 0.02 0.42 0.40 -1.72 0.00 0.00 179.24 178.33 2qex h ILE 111 N -0.36 0.99 -0.68 0.35 2.04 -0.74 0.70 117.51 119.81 2qex h ILE 111 Ca -0.02 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2qex h ILE 111 Cb 0.29 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2qex h ILE 111 CO 0.03 0.14 0.36 0.00 0.00 0.00 0.00 178.15 178.69 2qex h ALA 112 N 1.36 0.87 -0.20 1.87 0.00 -0.96 -0.43 119.26 121.76 2qex h ALA 112 Ca 0.32 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2qex h ALA 112 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2qex h ALA 112 CO -0.18 0.39 -0.48 -0.44 0.00 0.00 0.00 179.25 178.54 2qex h ASP 113 N 0.93 0.57 -0.40 0.00 3.32 0.19 -2.76 116.42 118.27 2qex h ASP 113 Ca 0.24 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 2qex h ASP 113 Cb 0.05 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qex h ASP 113 CO -0.04 0.96 -0.01 0.11 -1.72 0.00 0.00 179.24 178.54 2qex h LYS 114 N 0.42 0.71 -0.28 3.56 1.57 0.81 -3.15 116.57 120.21 2qex h LYS 114 Ca 0.02 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2qex h LYS 114 Cb 0.99 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 2qex h LYS 114 CO 0.09 0.81 0.09 0.28 -0.57 0.00 0.00 179.45 180.15 2qex h VAL 115 N 0.54 1.20 -0.78 0.50 2.07 -1.07 -2.04 116.25 116.66 2qex h VAL 115 Ca 0.11 -0.62 0.19 0.00 0.82 0.00 0.00 66.70 67.20 2qex h VAL 115 Cb 0.49 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 2qex h VAL 115 CO 0.02 0.21 0.53 -0.33 0.02 0.00 0.00 177.57 178.02 2qex h GLU 116 N 0.30 0.23 0.01 1.57 4.39 -1.50 0.42 114.58 120.00 2qex h GLU 116 Ca 0.09 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.55 2qex h GLU 116 Cb 0.23 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2qex h GLU 116 CO -0.00 0.15 -0.98 0.93 -1.16 0.00 0.00 179.01 177.95 2qex h GLU 117 N 0.23 0.42 -0.15 2.33 5.08 -1.45 -2.86 114.58 118.19 2qex h GLU 117 Ca 0.38 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2qex h GLU 117 Cb 1.16 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2qex h GLU 117 CO -0.09 1.13 0.00 -0.11 -1.00 0.00 0.00 179.01 178.94 2qex n LEU 118 N -3.74 0.15 0.00 1.33 7.94 0.14 -5.13 117.00 117.70 2qex n LEU 118 Ca -0.07 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2qex n LEU 118 Cb 0.85 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.73 2qex n LEU 118 CO 0.52 0.04 0.00 -1.14 -1.11 0.00 0.00 177.39 175.69