#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe h GLU 2 N 0.00 0.14 -3.49 0.03 4.39 -1.98 -3.23 114.58 110.44 2qbe h GLU 2 Ca 0.00 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.47 2qbe h GLU 2 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2qbe h GLU 2 CO 0.00 1.11 -0.11 -2.37 -1.16 0.00 0.00 179.01 176.48 2qbe n THR 3 N -4.08 -0.66 -4.40 1.13 5.66 -1.26 -4.03 114.28 106.64 2qbe n THR 3 Ca -0.28 0.06 -0.24 0.00 -3.05 0.00 0.00 64.05 60.53 2qbe n THR 3 Cb 0.82 -1.42 -0.09 0.00 -1.55 0.00 0.00 70.33 68.08 2qbe n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qbe s ILE 4 N -0.11 2.82 -0.06 1.09 -4.36 -1.26 -3.52 121.20 115.80 2qbe s ILE 4 Ca 0.00 -2.20 -0.04 0.00 -0.26 0.00 0.00 60.65 58.15 2qbe s ILE 4 Cb 0.00 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.20 2qbe s ILE 4 CO 0.00 -0.37 0.14 0.00 0.24 0.00 0.00 174.94 174.95 2qbe s ALA 5 N -2.45 -0.31 0.07 2.27 0.00 -0.52 -4.96 121.76 115.86 2qbe s ALA 5 Ca 0.31 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2qbe s ALA 5 Cb -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2qbe s ALA 5 CO 0.17 -0.09 -0.09 -1.59 0.00 0.00 0.00 175.76 174.16 2qbe s LYS 6 N 0.41 0.68 -0.37 0.00 -2.85 -1.26 -0.75 119.74 115.60 2qbe s LYS 6 Ca -0.03 -0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 2qbe s LYS 6 Cb -0.04 -0.37 0.09 0.00 -2.06 0.00 0.00 37.83 35.46 2qbe s LYS 6 CO -0.02 0.05 0.13 -1.58 0.10 0.00 0.00 175.35 174.03 2qbe s HIS 7 N -2.04 3.55 0.16 1.78 2.46 0.32 -4.98 115.29 116.54 2qbe s HIS 7 Ca -0.02 -2.42 -0.14 0.00 0.47 0.00 0.00 55.06 52.95 2qbe s HIS 7 Cb -0.05 -2.91 -0.07 0.00 -0.13 0.00 0.00 32.58 29.41 2qbe s HIS 7 CO -0.01 -0.93 0.55 1.03 -2.47 0.00 0.00 174.74 172.91 2qbe s ARG 8 N 1.12 3.95 -1.22 2.88 0.52 -1.26 -1.02 118.95 123.91 2qbe s ARG 8 Ca 0.06 0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.71 2qbe s ARG 8 Cb -0.21 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.37 2qbe s ARG 8 CO -0.04 0.45 0.15 0.72 0.02 0.00 0.00 175.30 176.60 2qbe n HIS 9 N 0.66 -0.95 -1.65 -0.53 8.25 -1.10 -4.95 115.22 114.95 2qbe n HIS 9 Ca -0.04 0.13 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 2qbe n HIS 9 Cb 0.52 -3.25 0.01 0.00 1.12 0.00 0.00 29.99 28.39 2qbe n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qbe n ALA 10 N -2.18 0.71 -2.72 -1.41 0.00 0.16 -4.74 120.51 110.32 2qbe n ALA 10 Ca -0.14 0.26 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2qbe n ALA 10 Cb 0.62 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.90 2qbe n ALA 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbe n ARG 11 N 0.14 3.94 0.00 0.00 5.12 -1.26 -2.14 116.66 122.46 2qbe n ARG 11 Ca 0.08 -4.03 0.00 0.00 -1.93 0.00 0.00 57.85 51.97 2qbe n ARG 11 Cb 0.39 -2.74 0.00 0.00 -1.16 0.00 0.00 32.46 28.94 2qbe n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qbe n SER 12 N 2.92 0.00 0.00 0.55 2.88 -1.25 -5.05 113.62 113.67 2qbe n SER 12 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2qbe n SER 12 Cb 0.36 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2qbe n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qbe n SER 13 N -1.07 0.00 0.00 -3.46 3.41 -1.22 -4.67 113.62 106.62 2qbe n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qbe n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbe n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbe n ALA 14 N 0.00 0.00 0.31 7.33 0.00 -1.26 -2.93 120.51 123.95 2qbe n ALA 14 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2qbe n ALA 14 Cb 0.00 0.00 0.81 0.00 0.00 0.00 0.00 19.45 20.26 2qbe n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2qbe h GLN 15 N 0.00 0.00 0.00 0.00 3.07 -1.97 1.69 115.11 117.90 2qbe h GLN 15 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.57 2qbe h GLN 15 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 2qbe h GLN 15 CO 0.00 0.00 -0.94 0.87 0.09 0.00 0.00 178.83 178.85 2qbe h LYS 16 N 0.00 0.00 0.00 0.06 1.57 -1.95 -3.20 116.57 113.05 2qbe h LYS 16 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2qbe h LYS 16 Cb 0.53 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 2qbe h LYS 16 CO 0.00 0.65 -1.67 0.28 -0.57 0.00 0.00 179.45 178.14 2qbe n VAL 17 N -3.20 1.52 0.39 0.50 0.31 0.40 -4.03 118.33 114.22 2qbe n VAL 17 Ca -0.02 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2qbe n VAL 17 Cb 0.86 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 2qbe n VAL 17 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2qbe n ARG 18 N -4.38 0.27 -0.08 5.55 1.85 0.48 -0.33 116.66 120.02 2qbe n ARG 18 Ca -0.37 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.34 2qbe n ARG 18 Cb 0.70 -1.08 -0.14 0.00 -1.05 0.00 0.00 32.46 30.89 2qbe n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qbe n LEU 19 N 0.01 1.70 -0.07 2.89 7.94 -1.21 -4.18 117.00 124.08 2qbe n LEU 19 Ca 0.00 0.06 -0.11 0.00 -1.11 0.00 0.00 56.01 54.85 2qbe n LEU 19 Cb 0.04 -0.36 -0.15 0.00 0.53 0.00 0.00 43.42 43.48 2qbe n LEU 19 CO 0.00 0.71 -0.97 0.55 -1.11 0.00 0.00 177.39 176.56 2qbe n VAL 20 N -3.12 1.49 0.01 1.96 3.14 0.55 -4.16 118.33 118.19 2qbe n VAL 20 Ca -0.35 -0.80 0.19 0.00 -2.96 0.00 0.00 64.34 60.42 2qbe n VAL 20 Cb 1.06 -0.79 0.66 0.00 -1.06 0.00 0.00 33.84 33.71 2qbe n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbe h ALA 21 N 0.85 2.41 -0.24 1.55 0.00 -1.53 0.24 119.26 122.55 2qbe h ALA 21 Ca -0.47 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2qbe h ALA 21 Cb 2.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2qbe h ALA 21 CO 0.04 -0.56 -0.24 -0.44 0.00 0.00 0.00 179.25 178.05 2qbe h ASP 22 N 0.05 0.45 -0.96 0.00 5.19 -1.73 -2.41 116.42 117.00 2qbe h ASP 22 Ca 0.24 -0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.54 2qbe h ASP 22 Cb 0.90 -0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.23 2qbe h ASP 22 CO -0.01 0.69 0.63 -0.07 -3.12 0.00 0.00 179.24 177.36 2qbe h LEU 23 N 0.40 1.05 0.00 1.55 3.38 -0.71 -3.34 115.31 117.63 2qbe h LEU 23 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qbe h LEU 23 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2qbe h LEU 23 CO 0.05 0.72 0.00 -0.38 0.09 0.00 0.00 178.44 178.91 2qbe n ILE 24 N -4.47 0.00 -0.40 1.22 5.41 -1.08 -4.82 119.36 115.22 2qbe n ILE 24 Ca 0.13 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.92 2qbe n ILE 24 Cb 0.09 -0.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2qbe n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qbe n ARG 25 N -0.38 0.00 0.00 0.38 0.63 -0.93 -1.73 116.66 114.63 2qbe n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qbe n ARG 25 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qbe n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbe n GLY 26 N 0.44 2.78 3.57 5.14 0.00 0.17 -4.99 105.19 112.31 2qbe n GLY 26 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2qbe n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe s LYS 27 N 0.00 1.68 0.96 1.61 1.02 -0.71 -4.35 119.74 119.95 2qbe s LYS 27 Ca 0.00 -0.45 0.00 0.00 0.02 0.00 0.00 55.97 55.54 2qbe s LYS 27 Cb 0.00 -5.02 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 2qbe s LYS 27 CO 0.00 -4.78 0.00 1.63 -0.92 0.00 0.00 175.35 171.28 2qbe n LYS 28 N 8.37 0.00 0.00 1.68 4.76 -1.26 -2.67 118.16 129.03 2qbe n LYS 28 Ca 0.43 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.87 2qbe n LYS 28 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 2qbe n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qbe n VAL 29 N 0.00 0.00 0.29 -0.18 0.31 -1.18 -0.67 118.33 116.89 2qbe n VAL 29 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2qbe n VAL 29 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2qbe n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qbe h SER 30 N 0.00 -0.63 1.16 4.52 0.02 -1.82 -1.55 113.55 115.25 2qbe h SER 30 Ca 0.00 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 2qbe h SER 30 Cb 0.00 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2qbe h SER 30 CO 0.00 -0.43 -0.63 1.56 -1.14 0.00 0.00 176.83 176.19 2qbe h GLN 31 N -0.71 0.00 0.00 3.45 1.08 -1.91 -2.58 115.11 114.45 2qbe h GLN 31 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2qbe h GLN 31 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2qbe h GLN 31 CO 0.10 0.63 0.00 0.00 -0.95 0.00 0.00 178.83 178.60 2qbe n ALA 32 N -2.29 1.94 -0.03 3.87 0.00 -0.98 -1.13 120.51 121.90 2qbe n ALA 32 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2qbe n ALA 32 Cb 0.74 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 2qbe n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbe n LEU 33 N -0.90 1.16 0.03 0.00 4.77 -0.62 -4.51 117.00 116.93 2qbe n LEU 33 Ca 0.07 0.04 0.19 0.00 -0.03 0.00 0.00 56.01 56.28 2qbe n LEU 33 Cb 0.03 -0.17 0.68 0.00 -2.33 0.00 0.00 43.42 41.64 2qbe n LEU 33 CO 0.05 0.25 1.17 0.44 -1.33 0.00 0.00 177.39 177.98 2qbe h ASP 34 N -0.14 0.00 0.36 -1.43 3.45 -1.03 -0.23 116.42 117.40 2qbe h ASP 34 Ca -0.13 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 2qbe h ASP 34 Cb 1.14 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2qbe h ASP 34 CO -0.07 0.00 -0.17 0.40 -1.57 0.00 0.00 179.24 177.83 2qbe h ILE 35 N 0.00 0.00 -0.42 0.35 1.08 -1.38 -2.42 117.51 114.72 2qbe h ILE 35 Ca 0.22 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.72 2qbe h ILE 35 Cb 0.89 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.55 2qbe h ILE 35 CO -0.00 0.00 -0.21 -0.07 -0.69 0.00 0.00 178.15 177.18 2qbe h LEU 36 N -0.54 -0.70 -1.85 1.44 -0.00 -1.65 0.42 115.31 112.42 2qbe h LEU 36 Ca -0.05 0.16 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 2qbe h LEU 36 Cb 0.37 0.38 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2qbe h LEU 36 CO 0.08 -0.24 0.49 0.71 -0.00 0.00 0.00 178.44 179.48 2qbe h THR 37 N -0.12 0.23 -2.14 0.22 1.35 -1.09 -2.32 112.91 109.03 2qbe h THR 37 Ca 0.20 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.51 2qbe h THR 37 Cb 0.44 0.58 -0.41 0.00 -1.73 0.00 0.00 68.15 67.04 2qbe h THR 37 CO -0.50 0.00 -0.87 -1.22 -0.25 0.00 0.00 175.52 172.68 2qbe n TYR 38 N -3.41 2.20 -2.74 4.73 4.02 0.14 -4.88 117.16 117.22 2qbe n TYR 38 Ca 0.06 -3.91 -0.06 0.00 -0.01 0.00 0.00 57.90 53.98 2qbe n TYR 38 Cb 0.63 -0.46 0.03 0.00 -0.02 0.00 0.00 39.34 39.52 2qbe n TYR 38 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2qbe n THR 39 N 0.30 0.00 -1.53 -0.72 -2.24 -0.87 -4.85 114.28 104.36 2qbe n THR 39 Ca 0.28 -1.12 -0.20 0.00 -2.27 0.00 0.00 64.05 60.74 2qbe n THR 39 Cb 0.50 1.18 -0.15 0.00 -2.10 0.00 0.00 70.33 69.76 2qbe n THR 39 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2qbe n ASN 40 N 2.29 0.21 -3.64 3.42 0.23 -1.26 -4.76 115.26 111.75 2qbe n ASN 40 Ca 0.13 -0.88 -0.05 0.00 -0.53 0.00 0.00 54.58 53.24 2qbe n ASN 40 Cb 0.61 -1.08 -0.07 0.00 -2.08 0.00 0.00 39.78 37.15 2qbe n ASN 40 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2qbe s LYS 41 N 8.01 0.59 0.13 -3.83 1.02 -1.26 -5.07 119.74 119.32 2qbe s LYS 41 Ca 1.14 1.00 -0.24 0.00 0.02 0.00 0.00 55.97 57.89 2qbe s LYS 41 Cb -0.54 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 36.83 2qbe s LYS 41 CO 0.35 -0.12 1.24 1.17 -0.92 0.00 0.00 175.35 177.07 2qbe n LYS 42 N 4.03 -0.34 -0.42 1.68 3.00 -1.26 0.55 118.16 125.39 2qbe n LYS 42 Ca -0.19 1.22 0.36 0.00 -0.00 0.00 0.00 58.31 59.69 2qbe n LYS 42 Cb 0.58 -1.79 0.67 0.00 0.00 0.00 0.00 35.03 34.49 2qbe n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbe h ALA 43 N 0.35 2.90 0.12 3.14 0.00 -1.95 0.07 119.26 123.90 2qbe h ALA 43 Ca 0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qbe h ALA 43 Cb 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qbe h ALA 43 CO -0.74 -1.38 -0.07 0.00 0.00 0.00 0.00 179.25 177.06 2qbe h ALA 44 N 1.46 -0.18 0.00 0.00 0.00 -0.20 0.33 119.26 120.68 2qbe h ALA 44 Ca 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2qbe h ALA 44 Cb 2.41 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.29 2qbe h ALA 44 CO -0.21 -0.60 0.00 1.33 0.00 0.00 0.00 179.25 179.77 2qbe n VAL 45 N -5.18 0.00 0.00 0.00 0.24 0.01 -1.40 118.33 112.00 2qbe n VAL 45 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2qbe n VAL 45 Cb 0.11 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 2qbe n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbe n LEU 46 N -0.01 0.68 0.19 1.34 4.77 -0.66 -4.41 117.00 118.90 2qbe n LEU 46 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2qbe n LEU 46 Cb 0.11 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.53 2qbe n LEU 46 CO 0.00 -0.02 0.68 -0.37 -1.33 0.00 0.00 177.39 176.35 2qbe h VAL 47 N 0.00 0.89 -0.01 4.08 -1.51 -0.28 -2.87 116.25 116.56 2qbe h VAL 47 Ca 0.00 -1.52 -0.04 0.00 -1.23 0.00 0.00 66.70 63.90 2qbe h VAL 47 Cb 0.55 1.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2qbe h VAL 47 CO 0.00 0.37 -0.17 0.50 -1.23 0.00 0.00 177.57 177.04 2qbe h LYS 48 N 0.00 0.13 0.00 5.19 3.64 -1.43 -1.82 116.57 122.28 2qbe h LYS 48 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2qbe h LYS 48 Cb 0.90 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2qbe h LYS 48 CO 0.05 0.86 0.04 1.63 -2.27 0.00 0.00 179.45 179.75 2qbe n LYS 49 N -4.58 0.00 -0.02 1.90 5.02 -1.14 0.11 118.16 119.45 2qbe n LYS 49 Ca -0.09 0.46 0.04 0.00 -2.02 0.00 0.00 58.31 56.70 2qbe n LYS 49 Cb 0.45 -1.54 -0.11 0.00 -0.02 0.00 0.00 35.03 33.81 2qbe n LYS 49 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qbe n VAL 50 N -1.46 0.24 -0.04 -0.18 0.31 -1.09 -3.58 118.33 112.53 2qbe n VAL 50 Ca 0.00 -0.41 -0.14 0.00 -0.01 0.00 0.00 64.34 63.79 2qbe n VAL 50 Cb 0.04 -0.04 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2qbe n VAL 50 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2qbe h LEU 51 N 0.00 0.26 -0.25 7.52 5.85 0.56 -2.65 115.31 126.60 2qbe h LEU 51 Ca -0.10 -0.54 -0.12 0.00 0.84 0.00 0.00 57.88 57.96 2qbe h LEU 51 Cb 0.98 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2qbe h LEU 51 CO 0.01 0.75 -0.59 1.05 -0.34 0.00 0.00 178.44 179.32 2qbe h GLU 52 N -0.22 0.00 -0.49 1.25 4.11 -1.57 0.19 114.58 117.85 2qbe h GLU 52 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2qbe h GLU 52 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2qbe h GLU 52 CO 0.03 0.59 0.00 0.45 0.07 0.00 0.00 179.01 180.15 2qbe n SER 53 N -3.35 0.53 0.00 3.06 2.88 -1.20 -0.97 113.62 114.57 2qbe n SER 53 Ca 0.01 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 2qbe n SER 53 Cb 0.72 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2qbe n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbe n ALA 54 N -0.24 2.74 0.08 -1.46 0.00 -0.88 -4.53 120.51 116.22 2qbe n ALA 54 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2qbe n ALA 54 Cb 0.13 0.36 0.61 0.00 0.00 0.00 0.00 19.45 20.55 2qbe n ALA 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbe h ILE 55 N 0.00 0.91 -0.28 0.00 5.03 -0.71 0.34 117.51 122.80 2qbe h ILE 55 Ca 0.00 -0.05 -0.02 0.00 -0.12 0.00 0.00 64.86 64.67 2qbe h ILE 55 Cb 0.73 0.75 -0.01 0.00 -3.03 0.00 0.00 36.82 35.26 2qbe h ILE 55 CO 0.00 0.03 0.10 0.00 -0.68 0.00 0.00 178.15 177.60 2qbe h ALA 56 N 1.83 0.37 0.00 1.87 0.00 -1.32 -0.87 119.26 121.14 2qbe h ALA 56 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qbe h ALA 56 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qbe h ALA 56 CO -0.02 -0.02 -0.10 -0.91 0.00 0.00 0.00 179.25 178.20 2qbe h ASN 57 N 0.30 0.00 0.71 0.00 -0.26 -0.86 -0.39 115.58 115.08 2qbe h ASN 57 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2qbe h ASN 57 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2qbe h ASN 57 CO -0.01 0.10 0.00 0.00 -1.06 0.00 0.00 177.43 176.47 2qbe h ALA 58 N 1.90 1.00 -3.00 -0.83 0.00 0.96 -2.79 119.26 116.49 2qbe h ALA 58 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbe h ALA 58 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qbe h ALA 58 CO 0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.65 2qbe n GLU 59 N -3.05 0.00 -1.70 0.00 -0.58 -0.20 -1.23 120.64 113.88 2qbe n GLU 59 Ca -0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2qbe n GLU 59 Cb 0.23 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.07 2qbe n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2qbe s HIS 60 N 0.79 1.26 0.00 -0.32 5.65 -0.91 -2.59 115.29 119.17 2qbe s HIS 60 Ca 0.00 1.22 0.00 0.00 0.25 0.00 0.00 55.06 56.53 2qbe s HIS 60 Cb 0.00 -3.77 0.00 0.00 -1.18 0.00 0.00 32.58 27.63 2qbe s HIS 60 CO 0.00 -2.69 0.00 0.09 -0.65 0.00 0.00 174.74 171.49 2qbe n ASN 61 N 14.41 0.00 -3.78 9.88 5.03 -1.26 -4.42 115.26 135.12 2qbe n ASN 61 Ca 0.31 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.54 2qbe n ASN 61 Cb 0.53 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.11 2qbe n ASN 61 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qbe s ASP 62 N 0.00 1.56 0.60 6.41 1.01 -1.05 -5.09 116.67 120.10 2qbe s ASP 62 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.17 2qbe s ASP 62 Cb 0.00 -0.44 0.00 0.00 1.01 0.00 0.00 42.92 43.49 2qbe s ASP 62 CO 0.00 -0.19 0.00 0.61 0.21 0.00 0.00 175.17 175.80 2qbe n GLY 63 N 5.10 2.31 0.00 0.21 0.00 -1.26 -3.71 105.19 107.83 2qbe n GLY 63 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2qbe n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbe n ALA 64 N 7.50 0.00 -2.44 4.61 0.00 -0.36 -4.33 120.51 125.49 2qbe n ALA 64 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2qbe n ALA 64 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qbe n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qbe n ASP 65 N 0.00 -6.84 0.01 0.00 2.03 -1.26 -4.83 116.55 105.67 2qbe n ASP 65 Ca 0.00 1.73 -0.15 0.00 0.52 0.00 0.00 54.79 56.89 2qbe n ASP 65 Cb 0.00 -5.24 -0.14 0.00 -0.72 0.00 0.00 41.12 35.02 2qbe n ASP 65 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2qbe h ILE 66 N 4.27 0.88 0.00 5.18 -2.65 -1.93 -3.37 117.51 119.88 2qbe h ILE 66 Ca -0.17 -2.62 0.00 0.00 1.03 0.00 0.00 64.86 63.10 2qbe h ILE 66 Cb 0.39 2.55 0.00 0.00 -2.05 0.00 0.00 36.82 37.71 2qbe h ILE 66 CO 0.00 0.73 0.19 0.47 0.03 0.00 0.00 178.15 179.57 2qbe n ASP 67 N -3.31 0.23 -0.12 2.16 8.00 -1.26 -0.30 116.55 121.95 2qbe n ASP 67 Ca -0.21 0.50 0.09 0.00 0.71 0.00 0.00 54.79 55.88 2qbe n ASP 67 Cb 1.05 -0.49 0.13 0.00 -0.02 0.00 0.00 41.12 41.79 2qbe n ASP 67 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qbe n ASP 68 N -1.79 2.42 -4.88 -2.24 5.75 -1.26 -5.03 116.55 109.52 2qbe n ASP 68 Ca -0.01 -2.97 -0.33 0.00 -0.01 0.00 0.00 54.79 51.48 2qbe n ASP 68 Cb 0.21 -0.39 -0.05 0.00 -1.03 0.00 0.00 41.12 39.85 2qbe n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qbe s LEU 69 N -2.67 4.27 0.01 -2.12 1.02 0.59 -4.60 118.68 115.18 2qbe s LEU 69 Ca 0.29 0.29 -0.02 0.00 0.02 0.00 0.00 54.13 54.71 2qbe s LEU 69 Cb 0.25 -2.60 -0.01 0.00 0.02 0.00 0.00 46.19 43.86 2qbe s LEU 69 CO 0.03 0.25 0.04 -1.59 0.02 0.00 0.00 176.35 175.10 2qbe s LYS 70 N -1.99 0.30 -1.28 1.70 -2.85 -0.44 -3.13 119.74 112.03 2qbe s LYS 70 Ca 0.28 -0.38 -0.18 0.00 -1.00 0.00 0.00 55.97 54.68 2qbe s LYS 70 Cb -0.13 0.11 0.03 0.00 -2.06 0.00 0.00 37.83 35.79 2qbe s LYS 70 CO 0.19 -0.06 1.85 1.55 0.10 0.00 0.00 175.35 178.99 2qbe n VAL 71 N 1.92 3.46 -0.32 1.79 3.14 0.15 -0.10 118.33 128.37 2qbe n VAL 71 Ca -0.21 -3.50 0.11 0.00 -2.96 0.00 0.00 64.34 57.78 2qbe n VAL 71 Cb 0.56 -2.36 0.28 0.00 -1.06 0.00 0.00 33.84 31.27 2qbe n VAL 71 CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 2qbe h THR 72 N 5.40 0.69 -3.28 1.55 1.35 -1.71 0.48 112.91 117.39 2qbe h THR 72 Ca 0.43 -0.23 -0.18 0.00 -0.55 0.00 0.00 66.41 65.88 2qbe h THR 72 Cb 0.84 -0.03 -0.26 0.00 -1.73 0.00 0.00 68.15 66.97 2qbe h THR 72 CO 1.50 0.12 -0.49 -0.54 -0.25 0.00 0.00 175.52 175.86 2qbe s LYS 73 N -5.91 0.24 -0.06 4.72 -0.14 -1.07 -4.56 119.74 112.96 2qbe s LYS 73 Ca -0.12 0.23 -0.09 0.00 -1.36 0.00 0.00 55.97 54.64 2qbe s LYS 73 Cb 0.24 0.11 0.02 0.00 -1.68 0.00 0.00 37.83 36.52 2qbe s LYS 73 CO 0.79 -0.03 0.23 -1.50 -0.76 0.00 0.00 175.35 174.08 2qbe s ILE 74 N 0.02 0.02 -0.29 2.17 2.07 -1.26 0.32 121.20 124.26 2qbe s ILE 74 Ca -0.01 -0.20 -0.22 0.00 -1.41 0.00 0.00 60.65 58.81 2qbe s ILE 74 Cb -0.02 -0.40 0.16 0.00 0.13 0.00 0.00 42.46 42.34 2qbe s ILE 74 CO 0.00 -0.11 1.19 0.72 -1.91 0.00 0.00 174.94 174.84 2qbe s PHE 75 N -0.37 -0.29 -0.02 3.50 -0.71 -0.57 -5.00 117.98 114.52 2qbe s PHE 75 Ca -0.05 0.67 -0.00 0.00 -1.04 0.00 0.00 56.93 56.51 2qbe s PHE 75 Cb -0.03 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 2qbe s PHE 75 CO 0.01 -0.14 0.03 0.14 -1.34 0.00 0.00 175.22 173.92 2qbe s VAL 76 N 0.45 4.40 0.01 -2.49 -7.23 -1.26 -1.66 120.40 112.62 2qbe s VAL 76 Ca 0.01 -0.44 0.07 0.00 -1.81 0.00 0.00 61.98 59.81 2qbe s VAL 76 Cb -0.04 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.92 2qbe s VAL 76 CO -0.11 0.43 -0.22 -1.81 -0.31 0.00 0.00 175.10 173.07 2qbe s ASP 77 N -1.45 2.57 -0.03 4.85 1.11 -1.19 -4.87 116.67 117.66 2qbe s ASP 77 Ca 0.19 -0.46 -0.30 0.00 0.18 0.00 0.00 52.55 52.16 2qbe s ASP 77 Cb -0.12 -0.25 -0.08 0.00 1.07 0.00 0.00 42.92 43.55 2qbe s ASP 77 CO 0.09 0.22 2.02 -1.61 1.18 0.00 0.00 175.17 177.07 2qbe s GLU 78 N -0.86 3.90 0.47 8.23 2.02 -1.26 -0.13 118.70 131.07 2qbe s GLU 78 Ca 0.08 2.45 0.08 0.00 0.02 0.00 0.00 54.97 57.61 2qbe s GLU 78 Cb -0.09 -4.21 0.03 0.00 0.10 0.00 0.00 34.13 29.97 2qbe s GLU 78 CO 0.01 -1.23 0.60 0.20 0.02 0.00 0.00 175.26 174.86 2qbe s GLY 79 N 5.33 1.93 -0.46 -1.39 0.00 0.20 -4.88 107.32 108.05 2qbe s GLY 79 Ca 0.91 -1.83 -0.34 0.00 0.00 0.00 0.00 44.72 43.46 2qbe s GLY 79 CO 0.40 -1.60 2.28 -1.05 0.00 0.00 0.00 173.10 173.12 2qbe n PRO 80 N -1.93 0.86 -2.82 2.90 -0.02 -1.26 -3.93 135.00 128.79 2qbe n PRO 80 Ca 0.09 0.19 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 2qbe n PRO 80 Cb 0.60 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2qbe n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qbe s SER 81 N 8.07 7.37 0.07 2.55 1.04 -1.26 -4.31 113.70 127.23 2qbe s SER 81 Ca 1.12 1.65 -0.31 0.00 0.48 0.00 0.00 55.95 58.89 2qbe s SER 81 Cb -0.87 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 62.65 2qbe s SER 81 CO 0.47 -0.06 1.24 -0.04 0.98 0.00 0.00 173.24 175.83 2qbe s MET 82 N 0.09 4.41 0.33 4.02 1.00 0.47 -4.72 119.30 124.89 2qbe s MET 82 Ca 0.44 1.83 -0.12 0.00 0.00 0.00 0.00 55.69 57.84 2qbe s MET 82 Cb -0.22 -3.33 -0.08 0.00 0.00 0.00 0.00 34.83 31.20 2qbe s MET 82 CO 0.27 -0.30 0.70 0.15 0.00 0.00 0.00 175.02 175.84 2qbe s LYS 83 N 1.10 3.88 0.00 2.03 -0.14 -1.26 0.94 119.74 126.29 2qbe s LYS 83 Ca 0.60 0.50 0.00 0.00 -1.36 0.00 0.00 55.97 55.71 2qbe s LYS 83 Cb -0.31 -2.47 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 2qbe s LYS 83 CO 0.29 0.13 0.00 -2.13 -0.76 0.00 0.00 175.35 172.88 2qbe n ARG 84 N -0.65 0.00 -3.78 1.68 3.00 -1.06 -4.91 116.66 110.94 2qbe n ARG 84 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.75 2qbe n ARG 84 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.87 2qbe n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qbe s ILE 85 N -2.65 -0.01 -0.30 5.15 1.01 -1.25 -4.50 121.20 118.65 2qbe s ILE 85 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.70 2qbe s ILE 85 Cb 0.00 -0.35 0.07 0.00 0.01 0.00 0.00 42.46 42.19 2qbe s ILE 85 CO 0.00 0.01 -0.03 -0.32 0.00 0.00 0.00 174.94 174.60 2qbe s MET 86 N 0.35 2.08 -0.44 2.79 1.75 -0.77 -4.89 119.30 120.17 2qbe s MET 86 Ca -0.02 -1.49 -0.27 0.00 -1.25 0.00 0.00 55.69 52.67 2qbe s MET 86 Cb -0.03 -3.07 -0.07 0.00 2.84 0.00 0.00 34.83 34.49 2qbe s MET 86 CO -0.01 -0.70 2.38 -2.30 -0.65 0.00 0.00 175.02 173.74 2qbe n PRO 87 N 4.44 1.20 -2.67 4.11 -0.02 -1.26 -2.28 135.00 138.52 2qbe n PRO 87 Ca -0.09 0.10 -0.23 0.00 -2.02 0.00 0.00 63.50 61.26 2qbe n PRO 87 Cb 0.42 -3.37 0.11 0.00 -0.02 0.00 0.00 33.50 30.64 2qbe n PRO 87 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2qbe s ARG 88 N 7.91 1.72 0.48 -0.52 6.06 0.44 -4.98 118.95 130.05 2qbe s ARG 88 Ca 0.99 -1.24 -0.21 0.00 -2.50 0.00 0.00 55.73 52.77 2qbe s ARG 88 Cb -0.23 -2.38 -0.08 0.00 0.06 0.00 0.00 34.95 32.32 2qbe s ARG 88 CO 0.28 -1.40 1.06 0.00 -2.50 0.00 0.00 175.30 172.74 2qbe s ALA 89 N -3.09 2.88 -1.02 6.12 0.00 -1.26 -3.73 121.76 121.66 2qbe s ALA 89 Ca 0.66 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 53.22 2qbe s ALA 89 Cb -0.05 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2qbe s ALA 89 CO 0.44 -0.38 0.89 1.63 0.00 0.00 0.00 175.76 178.33 2qbe n LYS 90 N -0.88 -5.98 -0.89 0.00 5.02 -1.26 -3.03 118.16 111.14 2qbe n LYS 90 Ca 0.09 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2qbe n LYS 90 Cb 0.52 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.49 2qbe n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbe n GLY 91 N -1.64 0.43 3.85 0.72 0.00 -1.25 -5.00 105.19 102.31 2qbe n GLY 91 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 2qbe n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbe s ARG 92 N -0.64 3.93 0.23 1.61 0.52 -1.17 -4.91 118.95 118.52 2qbe s ARG 92 Ca 0.00 0.69 0.03 0.00 -0.52 0.00 0.00 55.73 55.94 2qbe s ARG 92 Cb 0.00 -2.33 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 2qbe s ARG 92 CO 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 175.30 175.30 2qbe s ALA 93 N -2.29 1.78 0.05 2.13 0.00 -1.26 0.17 121.76 122.34 2qbe s ALA 93 Ca 0.55 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2qbe s ALA 93 Cb -0.10 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2qbe s ALA 93 CO 0.25 -0.27 -0.04 -0.51 0.00 0.00 0.00 175.76 175.20 2qbe s ASP 94 N -3.30 0.61 0.09 0.00 1.01 -0.97 -4.87 116.67 109.25 2qbe s ASP 94 Ca 0.29 -0.86 -0.29 0.00 0.71 0.00 0.00 52.55 52.40 2qbe s ASP 94 Cb 0.06 0.14 -0.13 0.00 1.01 0.00 0.00 42.92 44.00 2qbe s ASP 94 CO 0.09 -0.47 1.65 -0.09 0.21 0.00 0.00 175.17 176.55 2qbe h ARG 95 N 3.53 -0.55 -6.03 8.23 9.65 -1.93 -2.05 114.38 125.23 2qbe h ARG 95 Ca -0.34 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 2qbe h ARG 95 Cb 1.17 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 2qbe h ARG 95 CO 0.58 -0.37 -0.37 1.51 2.80 0.00 0.00 179.97 184.13 2qbe n ILE 96 N -5.38 -2.84 -3.85 1.20 3.06 -1.26 -2.94 119.36 107.36 2qbe n ILE 96 Ca -0.09 0.45 -0.34 0.00 -2.50 0.00 0.00 62.75 60.27 2qbe n ILE 96 Cb 0.28 -3.17 -0.05 0.00 0.54 0.00 0.00 39.64 37.25 2qbe n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qbe s LEU 97 N -0.28 4.37 -0.86 9.51 2.01 -1.26 -2.56 118.68 129.62 2qbe s LEU 97 Ca -0.03 0.44 -0.00 0.00 0.01 0.00 0.00 54.13 54.54 2qbe s LEU 97 Cb 0.00 -2.62 0.21 0.00 0.01 0.00 0.00 46.19 43.80 2qbe s LEU 97 CO 0.11 0.26 0.72 -0.54 1.01 0.00 0.00 176.35 177.92 2qbe s LYS 98 N -1.83 3.12 0.54 1.70 1.02 0.27 -4.91 119.74 119.64 2qbe s LYS 98 Ca 0.27 -3.29 -0.22 0.00 0.02 0.00 0.00 55.97 52.75 2qbe s LYS 98 Cb -0.13 -3.86 -0.05 0.00 -0.52 0.00 0.00 37.83 33.27 2qbe s LYS 98 CO 0.17 -1.27 1.36 0.54 -0.92 0.00 0.00 175.35 175.23 2qbe n ARG 99 N 2.27 1.73 -4.44 1.68 1.74 -1.26 -0.40 116.66 117.98 2qbe n ARG 99 Ca 0.21 0.63 -0.21 0.00 -0.77 0.00 0.00 57.85 57.71 2qbe n ARG 99 Cb 0.37 -2.58 -0.10 0.00 -1.02 0.00 0.00 32.46 29.12 2qbe n ARG 99 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2qbe s THR 100 N -1.28 1.47 0.12 0.55 -4.23 -1.25 -3.38 115.64 107.64 2qbe s THR 100 Ca 0.71 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2qbe s THR 100 Cb -0.42 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2qbe s THR 100 CO 0.50 -0.19 0.00 -0.94 -0.54 0.00 0.00 174.62 173.45 2qbe s SER 101 N -3.46 0.77 -0.70 3.99 1.04 -0.91 -0.63 113.70 113.80 2qbe s SER 101 Ca 0.32 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.67 2qbe s SER 101 Cb 0.06 0.19 0.22 0.00 0.10 0.00 0.00 66.02 66.59 2qbe s SER 101 CO 0.13 -0.61 0.69 1.41 0.98 0.00 0.00 173.24 175.84 2qbe n HIS 102 N -0.09 3.51 -1.66 5.02 8.25 0.82 0.36 115.22 131.42 2qbe n HIS 102 Ca -0.09 -4.15 -0.45 0.00 -0.26 0.00 0.00 57.72 52.77 2qbe n HIS 102 Cb 0.63 -0.65 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2qbe n HIS 102 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qbe n ILE 103 N 1.34 1.04 -3.80 1.59 5.41 -0.19 -3.18 119.36 121.57 2qbe n ILE 103 Ca 0.26 -0.26 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 2qbe n ILE 103 Cb 0.38 -1.37 -0.17 0.00 -0.71 0.00 0.00 39.64 37.77 2qbe n ILE 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2qbe s THR 104 N -0.18 0.16 -0.10 1.39 2.01 -0.66 0.12 115.64 118.38 2qbe s THR 104 Ca 0.68 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2qbe s THR 104 Cb -0.68 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 2qbe s THR 104 CO 0.51 0.20 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.71 2qbe s VAL 105 N 1.70 2.11 -0.59 3.82 1.01 0.07 -1.50 120.40 127.01 2qbe s VAL 105 Ca -0.00 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2qbe s VAL 105 Cb -0.13 -1.80 0.16 0.00 0.00 0.00 0.00 36.38 34.61 2qbe s VAL 105 CO -0.03 0.56 0.39 -0.69 0.00 0.00 0.00 175.10 175.32 2qbe s VAL 106 N 0.29 2.32 0.06 2.92 1.01 0.15 -1.44 120.40 125.72 2qbe s VAL 106 Ca -0.17 -3.64 -0.30 0.00 0.00 0.00 0.00 61.98 57.87 2qbe s VAL 106 Cb -0.17 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2qbe s VAL 106 CO 0.08 -0.97 0.97 0.54 0.00 0.00 0.00 175.10 175.73 2qbe s VAL 107 N -0.77 4.65 0.25 2.92 0.11 -1.23 -2.06 120.40 124.27 2qbe s VAL 107 Ca 0.23 2.05 -0.04 0.00 -2.93 0.00 0.00 61.98 61.29 2qbe s VAL 107 Cb -0.11 -4.31 -0.02 0.00 -1.53 0.00 0.00 36.38 30.40 2qbe s VAL 107 CO -0.11 0.25 0.30 -0.94 -3.33 0.00 0.00 175.10 171.27 2qbe s SER 108 N 0.45 0.31 0.00 3.54 1.04 0.86 -4.22 113.70 115.68 2qbe s SER 108 Ca 0.49 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2qbe s SER 108 Cb -0.22 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2qbe s SER 108 CO 0.29 -1.02 0.09 0.47 0.98 0.00 0.00 173.24 174.05 2qbe n ASP 109 N -0.58 0.00 0.00 7.02 9.92 -1.22 -1.33 116.55 130.36 2qbe n ASP 109 Ca 0.01 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 2qbe n ASP 109 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 2qbe n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19