#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe h LYS 3 N 0.00 0.00 0.04 -0.67 -0.00 -2.07 0.32 116.57 114.19 2qbe h LYS 3 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.52 2qbe h LYS 3 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.24 2qbe h LYS 3 CO 0.00 0.00 -0.51 -0.22 -0.00 0.00 0.00 179.45 178.72 2qbe h LYS 4 N 0.00 0.28 -0.05 0.07 3.64 -2.06 -3.14 116.57 115.31 2qbe h LYS 4 Ca 0.15 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.19 2qbe h LYS 4 Cb 1.36 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2qbe h LYS 4 CO -0.00 1.08 0.17 0.77 -2.27 0.00 0.00 179.45 179.20 2qbe h SER 5 N -0.35 0.00 0.01 4.20 0.02 -0.82 -1.76 113.55 114.86 2qbe h SER 5 Ca -0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2qbe h SER 5 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2qbe h SER 5 CO 0.10 0.00 -0.13 0.00 -1.14 0.00 0.00 176.83 175.66 2qbe h ALA 6 N 1.70 0.00 -0.71 3.77 0.00 -1.50 -3.30 119.26 119.22 2qbe h ALA 6 Ca 0.02 -0.55 0.11 0.00 0.00 0.00 0.00 54.91 54.49 2qbe h ALA 6 Cb 0.37 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2qbe h ALA 6 CO -0.00 0.06 0.47 -0.09 0.00 0.00 0.00 179.25 179.69 2qbe h ARG 7 N -0.94 0.53 0.51 0.00 2.43 -1.29 -2.72 114.38 112.89 2qbe h ARG 7 Ca -0.03 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2qbe h ARG 7 Cb 1.07 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2qbe h ARG 7 CO 0.01 0.35 -0.26 0.82 -1.51 0.00 0.00 179.97 179.38 2qbe h ILE 8 N 0.54 0.47 -0.03 1.20 2.04 -1.54 -2.78 117.51 117.41 2qbe h ILE 8 Ca 0.33 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.20 2qbe h ILE 8 Cb 0.56 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2qbe h ILE 8 CO -0.11 0.00 0.03 0.08 0.00 0.00 0.00 178.15 178.15 2qbe h ARG 9 N -0.71 0.00 -0.58 2.37 0.11 -1.56 0.16 114.38 114.17 2qbe h ARG 9 Ca -0.07 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.97 2qbe h ARG 9 Cb 0.55 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 2qbe h ARG 9 CO 0.10 0.00 0.20 0.00 0.10 0.00 0.00 179.97 180.37 2qbe h ARG 10 N 0.00 0.86 0.00 0.08 3.08 -1.29 -2.94 114.38 114.17 2qbe h ARG 10 Ca 0.02 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.86 2qbe h ARG 10 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2qbe h ARG 10 CO -0.00 0.74 -1.50 0.00 -1.07 0.00 0.00 179.97 178.14 2qbe n ALA 11 N -2.45 2.43 0.30 0.04 0.00 -0.57 -4.10 120.51 116.15 2qbe n ALA 11 Ca 0.05 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.15 2qbe n ALA 11 Cb 0.19 -0.90 0.63 0.00 0.00 0.00 0.00 19.45 19.37 2qbe n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qbe h THR 12 N 0.00 0.00 0.00 0.00 2.02 -0.53 0.11 112.91 114.51 2qbe h THR 12 Ca -0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2qbe h THR 12 Cb 1.20 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2qbe h THR 12 CO 0.01 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.76 2qbe n ARG 13 N -2.66 0.00 -0.28 6.66 3.00 -1.25 -3.21 116.66 118.93 2qbe n ARG 13 Ca -0.02 0.00 0.21 0.00 -0.00 0.00 0.00 57.85 58.05 2qbe n ARG 13 Cb 0.43 -0.56 0.53 0.00 0.00 0.00 0.00 32.46 32.86 2qbe n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbe h ALA 14 N -2.00 2.27 0.00 5.13 0.00 -1.78 0.73 119.26 123.62 2qbe h ALA 14 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qbe h ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qbe h ALA 14 CO 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 179.25 178.70 2qbe h ARG 15 N 0.38 0.00 0.00 0.00 3.08 -0.93 0.74 114.38 117.66 2qbe h ARG 15 Ca 0.52 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.23 2qbe h ARG 15 Cb 1.36 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 2qbe h ARG 15 CO -0.21 0.00 -2.09 -2.13 -1.07 0.00 0.00 179.97 174.47 2qbe n ARG 16 N -2.87 0.67 -0.17 0.04 3.00 0.25 -3.55 116.66 114.02 2qbe n ARG 16 Ca -0.03 0.14 -0.11 0.00 -0.00 0.00 0.00 57.85 57.86 2qbe n ARG 16 Cb 0.12 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 30.93 2qbe n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qbe h LYS 17 N 0.00 1.00 -0.80 -0.14 3.11 0.27 0.18 116.57 120.20 2qbe h LYS 17 Ca -0.43 -0.39 -0.01 0.00 -2.81 0.00 0.00 60.65 57.01 2qbe h LYS 17 Cb 2.13 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 33.27 2qbe h LYS 17 CO 0.05 1.07 0.47 -0.07 -2.81 0.00 0.00 179.45 178.16 2qbe h LEU 18 N 0.86 0.96 -0.24 5.20 4.07 0.13 -1.59 115.31 124.69 2qbe h LEU 18 Ca 0.13 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.97 2qbe h LEU 18 Cb 0.71 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2qbe h LEU 18 CO 0.05 0.74 -0.09 -0.61 -1.08 0.00 0.00 178.44 177.46 2qbe h GLN 19 N 1.10 0.49 -0.65 1.13 4.15 -1.48 0.14 115.11 119.98 2qbe h GLN 19 Ca 0.29 -0.20 0.14 0.00 0.77 0.00 0.00 58.65 59.64 2qbe h GLN 19 Cb -0.03 -0.02 -0.11 0.00 0.21 0.00 0.00 27.48 27.53 2qbe h GLN 19 CO -0.05 0.73 0.02 1.49 -1.93 0.00 0.00 178.83 179.09 2qbe h GLU 20 N 0.22 0.13 0.00 1.69 4.22 0.15 0.46 114.58 121.44 2qbe h GLU 20 Ca 0.06 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.49 2qbe h GLU 20 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2qbe h GLU 20 CO 0.03 0.08 -0.23 1.28 -2.18 0.00 0.00 179.01 178.00 2qbe n LEU 21 N -5.28 0.41 -3.65 1.64 4.77 -0.68 -4.95 117.00 109.27 2qbe n LEU 21 Ca 0.10 0.35 -0.21 0.00 -0.03 0.00 0.00 56.01 56.22 2qbe n LEU 21 Cb 0.38 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2qbe n LEU 21 CO 0.10 -0.02 -0.05 0.61 -1.33 0.00 0.00 177.39 176.71 2qbe n GLY 22 N 1.43 -0.40 3.63 -0.72 0.00 0.16 -4.98 105.19 104.31 2qbe n GLY 22 Ca 0.06 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2qbe n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbe s ALA 23 N -3.61 3.16 -0.40 4.61 0.00 -0.92 -4.83 121.76 119.77 2qbe s ALA 23 Ca 0.06 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 2qbe s ALA 23 Cb -0.02 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.60 2qbe s ALA 23 CO 0.80 0.53 2.32 0.25 0.00 0.00 0.00 175.76 179.67 2qbe n THR 24 N 2.35 0.13 -3.30 0.00 -2.24 -1.26 -4.63 114.28 105.33 2qbe n THR 24 Ca -0.18 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 2qbe n THR 24 Cb 0.53 -2.27 -0.05 0.00 -2.10 0.00 0.00 70.33 66.44 2qbe n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbe s ARG 25 N 7.17 3.79 -0.76 -0.78 1.70 -1.19 -2.37 118.95 126.51 2qbe s ARG 25 Ca 1.05 0.29 -0.07 0.00 -0.47 0.00 0.00 55.73 56.53 2qbe s ARG 25 Cb -0.48 -2.59 0.20 0.00 -0.57 0.00 0.00 34.95 31.51 2qbe s ARG 25 CO 0.37 0.23 0.63 -1.17 -1.08 0.00 0.00 175.30 174.28 2qbe s LEU 26 N -3.12 5.83 0.62 -1.89 2.96 0.23 -2.06 118.68 121.24 2qbe s LEU 26 Ca 0.48 -2.98 -0.18 0.00 -0.22 0.00 0.00 54.13 51.22 2qbe s LEU 26 Cb -0.11 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2qbe s LEU 26 CO 0.24 -0.40 1.24 -0.69 -1.32 0.00 0.00 176.35 175.42 2qbe s VAL 27 N -0.26 2.39 -0.34 1.68 1.01 -0.10 -3.10 120.40 121.69 2qbe s VAL 27 Ca 0.20 0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2qbe s VAL 27 Cb -0.15 -3.10 0.15 0.00 0.00 0.00 0.00 36.38 33.29 2qbe s VAL 27 CO -0.07 -0.05 0.37 0.54 0.00 0.00 0.00 175.10 175.89 2qbe s VAL 28 N -1.52 -0.44 0.14 2.92 0.11 -1.23 -2.03 120.40 118.36 2qbe s VAL 28 Ca 0.79 -0.68 -0.19 0.00 -2.93 0.00 0.00 61.98 58.98 2qbe s VAL 28 Cb -0.33 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 33.66 2qbe s VAL 28 CO 0.36 -0.47 0.63 -2.28 -3.33 0.00 0.00 175.10 170.01 2qbe s HIS 29 N 1.92 3.73 0.21 1.54 5.65 -1.25 -4.55 115.29 122.54 2qbe s HIS 29 Ca 0.13 1.30 0.11 0.00 0.25 0.00 0.00 55.06 56.86 2qbe s HIS 29 Cb -0.14 -2.53 -0.05 0.00 -1.18 0.00 0.00 32.58 28.68 2qbe s HIS 29 CO -0.17 0.47 -0.23 0.50 -0.65 0.00 0.00 174.74 174.67 2qbe s ARG 30 N -1.55 1.56 -0.00 2.88 3.00 -1.26 -1.29 118.95 122.30 2qbe s ARG 30 Ca 0.36 -1.56 -0.24 0.00 -1.00 0.00 0.00 55.73 53.29 2qbe s ARG 30 Cb -0.18 -1.84 0.05 0.00 0.00 0.00 0.00 34.95 32.98 2qbe s ARG 30 CO 0.20 0.39 0.54 -0.08 0.00 0.00 0.00 175.30 176.35 2qbe s THR 31 N -1.81 0.02 0.27 4.11 -1.32 -0.42 -4.99 115.64 111.50 2qbe s THR 31 Ca 0.22 -0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.43 2qbe s THR 31 Cb -0.07 -0.91 0.41 0.00 -1.51 0.00 0.00 72.50 70.42 2qbe s THR 31 CO 0.11 -0.11 1.57 -0.65 -2.21 0.00 0.00 174.62 173.33 2qbe h PRO 32 N 3.08 0.01 -0.02 7.08 0.11 -1.99 -2.00 132.00 138.27 2qbe h PRO 32 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2qbe h PRO 32 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qbe h PRO 32 CO 0.40 0.00 -0.39 0.54 -0.21 0.00 0.00 178.00 178.35 2qbe n ARG 33 N -5.57 1.43 -4.00 1.05 3.00 -1.26 -4.89 116.66 106.42 2qbe n ARG 33 Ca 0.16 -1.06 -0.09 0.00 -0.01 0.00 0.00 57.85 56.84 2qbe n ARG 33 Cb 0.51 -1.42 -0.08 0.00 0.00 0.00 0.00 32.46 31.46 2qbe n ARG 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2qbe s HIS 34 N -2.27 0.49 -0.18 -1.55 3.76 -0.75 -4.44 115.29 110.35 2qbe s HIS 34 Ca 0.18 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 54.19 2qbe s HIS 34 Cb 0.17 -0.17 0.06 0.00 1.11 0.00 0.00 32.58 33.74 2qbe s HIS 34 CO 0.50 -0.64 0.04 0.42 -0.85 0.00 0.00 174.74 174.21 2qbe s ILE 35 N -3.97 0.46 0.49 0.60 -1.09 -1.26 -1.30 121.20 115.12 2qbe s ILE 35 Ca 0.17 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.17 2qbe s ILE 35 Cb 0.05 -0.96 0.03 0.00 -1.58 0.00 0.00 42.46 40.00 2qbe s ILE 35 CO -0.01 -0.18 0.67 -0.31 -1.23 0.00 0.00 174.94 173.88 2qbe s TYR 36 N 1.89 2.71 -0.28 3.97 4.12 -0.41 -2.20 117.35 127.15 2qbe s TYR 36 Ca -0.00 -0.27 -0.25 0.00 0.02 0.00 0.00 57.07 56.57 2qbe s TYR 36 Cb -0.17 -2.53 0.13 0.00 -1.52 0.00 0.00 41.96 37.87 2qbe s TYR 36 CO -0.08 -0.68 1.08 0.00 0.02 0.00 0.00 175.55 175.90 2qbe s ALA 37 N -2.55 -2.00 -0.27 3.71 0.00 -1.23 -3.75 121.76 115.66 2qbe s ALA 37 Ca 0.57 1.84 -0.25 0.00 0.00 0.00 0.00 51.96 54.12 2qbe s ALA 37 Cb -0.10 -1.46 0.11 0.00 0.00 0.00 0.00 23.12 21.68 2qbe s ALA 37 CO 0.36 -0.22 0.96 1.14 0.00 0.00 0.00 175.76 178.00 2qbe s GLN 38 N 0.15 0.59 -0.64 0.00 -2.07 -0.86 -2.00 119.66 114.83 2qbe s GLN 38 Ca 0.04 0.65 -0.13 0.00 -1.82 0.00 0.00 55.36 54.10 2qbe s GLN 38 Cb -0.05 0.29 0.16 0.00 -1.09 0.00 0.00 33.01 32.32 2qbe s GLN 38 CO -0.07 -0.08 0.56 0.08 -1.32 0.00 0.00 175.29 174.46 2qbe s VAL 39 N 0.17 5.04 0.44 3.63 1.01 -1.12 -0.93 120.40 128.63 2qbe s VAL 39 Ca 0.02 -2.04 -0.16 0.00 0.00 0.00 0.00 61.98 59.80 2qbe s VAL 39 Cb -0.05 -4.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2qbe s VAL 39 CO -0.04 -0.91 0.89 -0.63 0.00 0.00 0.00 175.10 174.41 2qbe s ILE 40 N 0.88 4.56 0.80 2.22 1.01 -0.88 -0.01 121.20 129.79 2qbe s ILE 40 Ca 0.10 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.78 2qbe s ILE 40 Cb -0.21 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.66 2qbe s ILE 40 CO -0.03 -0.46 1.11 0.00 0.00 0.00 0.00 174.94 175.56 2qbe s ALA 41 N -2.34 2.31 0.19 9.38 0.00 -0.06 -3.16 121.76 128.08 2qbe s ALA 41 Ca 0.58 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.08 2qbe s ALA 41 Cb -0.10 -3.07 0.19 0.00 0.00 0.00 0.00 23.12 20.14 2qbe s ALA 41 CO 0.23 -1.72 1.67 -1.35 0.00 0.00 0.00 175.76 174.60 2qbe h PRO 42 N -1.08 0.06 0.00 0.00 0.11 -1.88 0.18 132.00 129.39 2qbe h PRO 42 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qbe h PRO 42 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qbe h PRO 42 CO 0.61 0.04 0.11 0.27 -0.21 0.00 0.00 178.00 178.82 2qbe n ASN 43 N -5.29 0.00 -1.92 -2.05 0.23 -1.26 -4.79 115.26 100.18 2qbe n ASN 43 Ca 0.05 0.39 -0.18 0.00 -0.53 0.00 0.00 54.58 54.32 2qbe n ASN 43 Cb 0.28 -0.39 -0.05 0.00 -2.08 0.00 0.00 39.78 37.54 2qbe n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qbe n GLY 44 N -1.39 0.71 0.63 4.83 0.00 0.62 -4.81 105.19 105.78 2qbe n GLY 44 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2qbe n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbe n SER 45 N -1.44 0.88 -4.66 1.61 7.64 -1.26 -4.98 113.62 111.40 2qbe n SER 45 Ca -0.19 0.13 -0.35 0.00 1.01 0.00 0.00 58.87 59.47 2qbe n SER 45 Cb 0.62 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 63.41 2qbe n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qbe s GLU 46 N -2.20 3.59 -0.13 1.43 -1.05 -1.26 -5.00 118.70 114.07 2qbe s GLU 46 Ca -0.15 -0.35 -0.15 0.00 -0.15 0.00 0.00 54.97 54.16 2qbe s GLU 46 Cb 0.06 -3.05 -0.05 0.00 -0.44 0.00 0.00 34.13 30.65 2qbe s GLU 46 CO 0.20 0.46 0.36 0.08 0.95 0.00 0.00 175.26 177.31 2qbe s VAL 47 N -0.18 5.25 -0.07 1.83 1.01 -1.26 -0.89 120.40 126.09 2qbe s VAL 47 Ca 0.07 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 2qbe s VAL 47 Cb -0.12 -3.69 -0.20 0.00 0.00 0.00 0.00 36.38 32.36 2qbe s VAL 47 CO 0.02 0.39 0.93 -0.07 0.00 0.00 0.00 175.10 176.36 2qbe h LEU 48 N 6.51 -0.06 0.00 3.92 3.38 -0.74 -3.47 115.31 124.85 2qbe h LEU 48 Ca -0.42 -0.59 -0.25 0.00 0.09 0.00 0.00 57.88 56.72 2qbe h LEU 48 Cb 1.17 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 2qbe h LEU 48 CO 0.74 0.61 -0.21 1.33 0.09 0.00 0.00 178.44 181.00 2qbe n VAL 49 N -4.80 0.00 0.00 1.22 0.24 -1.18 -5.00 118.33 108.81 2qbe n VAL 49 Ca -0.08 -1.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 2qbe n VAL 49 Cb 0.32 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 2qbe n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbe n ALA 50 N -2.08 0.00 -3.15 2.33 0.00 -1.26 -2.81 120.51 113.53 2qbe n ALA 50 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.43 2qbe n ALA 50 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.71 2qbe n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe s ALA 51 N -2.00 -3.69 0.14 0.00 0.00 -0.85 -4.76 121.76 110.60 2qbe s ALA 51 Ca 0.00 1.38 0.07 0.00 0.00 0.00 0.00 51.96 53.41 2qbe s ALA 51 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2qbe s ALA 51 CO 0.00 -1.60 -0.17 -1.54 0.00 0.00 0.00 175.76 172.45 2qbe s SER 52 N 2.96 2.38 0.00 0.00 1.04 -1.26 -3.53 113.70 115.29 2qbe s SER 52 Ca 0.03 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2qbe s SER 52 Cb -0.08 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.92 2qbe s SER 52 CO -0.12 -0.07 0.95 0.35 0.98 0.00 0.00 173.24 175.33 2qbe n THR 53 N 0.50 1.80 1.92 2.02 -2.24 -0.94 -1.34 114.28 116.01 2qbe n THR 53 Ca -0.15 0.45 0.03 0.00 -2.27 0.00 0.00 64.05 62.11 2qbe n THR 53 Cb 0.57 -1.45 0.15 0.00 -2.10 0.00 0.00 70.33 67.50 2qbe n THR 53 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2qbe n VAL 54 N -1.45 0.03 -3.86 2.28 3.14 -1.26 -4.27 118.33 112.94 2qbe n VAL 54 Ca 0.00 -0.03 -0.36 0.00 -2.96 0.00 0.00 64.34 60.99 2qbe n VAL 54 Cb 0.00 -0.05 -0.13 0.00 -1.06 0.00 0.00 33.84 32.60 2qbe n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2qbe s GLU 55 N -1.97 3.49 0.14 1.45 2.02 -0.45 -5.02 118.70 118.37 2qbe s GLU 55 Ca 0.09 -0.56 -0.28 0.00 0.02 0.00 0.00 54.97 54.23 2qbe s GLU 55 Cb 0.04 -3.13 -0.06 0.00 0.10 0.00 0.00 34.13 31.08 2qbe s GLU 55 CO 0.07 -0.19 1.45 1.17 0.02 0.00 0.00 175.26 177.78 2qbe n LYS 56 N 4.82 -0.40 -0.24 1.61 4.81 -1.26 -0.87 118.16 126.64 2qbe n LYS 56 Ca -0.17 1.43 0.13 0.00 -0.87 0.00 0.00 58.31 58.82 2qbe n LYS 56 Cb 0.51 -2.10 0.25 0.00 0.02 0.00 0.00 35.03 33.71 2qbe n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbe n ALA 57 N -3.26 0.44 -0.03 3.14 0.00 -1.26 -0.25 120.51 119.28 2qbe n ALA 57 Ca 0.02 0.75 -0.20 0.00 0.00 0.00 0.00 53.44 54.00 2qbe n ALA 57 Cb 0.24 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 2qbe n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbe h ILE 58 N 0.00 1.10 -0.73 0.00 2.04 -1.34 -3.38 117.51 115.21 2qbe h ILE 58 Ca 0.46 -2.33 0.16 0.00 1.00 0.00 0.00 64.86 64.15 2qbe h ILE 58 Cb 1.03 2.67 -0.11 0.00 -0.74 0.00 0.00 36.82 39.67 2qbe h ILE 58 CO -0.64 0.59 0.18 0.00 0.00 0.00 0.00 178.15 178.28 2qbe h ALA 59 N -0.16 0.94 0.01 1.87 0.00 0.13 -2.12 119.26 119.94 2qbe h ALA 59 Ca -0.27 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbe h ALA 59 Cb 1.53 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 2qbe h ALA 59 CO -0.02 -0.33 -0.08 0.93 0.00 0.00 0.00 179.25 179.74 2qbe h GLU 60 N 0.27 -0.11 0.00 0.00 5.08 -0.93 0.42 114.58 119.32 2qbe h GLU 60 Ca 0.41 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2qbe h GLU 60 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2qbe h GLU 60 CO -0.50 -0.07 0.18 1.04 -1.00 0.00 0.00 179.01 178.65 2qbe n GLN 61 N -2.91 0.05 -3.66 2.33 1.13 -1.08 -4.55 117.38 108.68 2qbe n GLN 61 Ca -0.01 0.46 -0.35 0.00 -1.94 0.00 0.00 57.00 55.15 2qbe n GLN 61 Cb 0.06 -1.83 -0.05 0.00 0.11 0.00 0.00 30.24 28.53 2qbe n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2qbe s LEU 62 N -3.37 4.37 -0.02 1.08 2.01 0.14 -5.03 118.68 117.86 2qbe s LEU 62 Ca -0.01 0.70 -0.03 0.00 0.01 0.00 0.00 54.13 54.80 2qbe s LEU 62 Cb 0.02 -2.76 -0.02 0.00 0.01 0.00 0.00 46.19 43.44 2qbe s LEU 62 CO 0.06 0.24 0.32 0.50 1.01 0.00 0.00 176.35 178.48 2qbe h LYS 63 N 4.01 -0.11 -3.96 1.70 3.64 -1.80 -3.47 116.57 116.59 2qbe h LYS 63 Ca -0.50 0.01 -0.42 0.00 -1.27 0.00 0.00 60.65 58.47 2qbe h LYS 63 Cb 1.20 0.02 -0.35 0.00 -0.41 0.00 0.00 32.23 32.69 2qbe h LYS 63 CO 0.65 -0.07 -0.77 -0.47 -2.27 0.00 0.00 179.45 176.52 2qbe s TYR 64 N -1.91 0.76 0.11 1.91 5.04 -1.26 -5.09 117.35 116.91 2qbe s TYR 64 Ca -0.02 -0.22 -0.31 0.00 -2.44 0.00 0.00 57.07 54.08 2qbe s TYR 64 Cb 0.00 -0.72 -0.10 0.00 0.35 0.00 0.00 41.96 41.49 2qbe s TYR 64 CO 0.05 -0.24 1.83 0.95 -1.34 0.00 0.00 175.55 176.80 2qbe s THR 65 N 1.18 2.62 -0.02 4.34 -4.23 -1.26 -3.16 115.64 115.11 2qbe s THR 65 Ca -0.07 0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2qbe s THR 65 Cb -0.14 -3.05 -0.00 0.00 1.34 0.00 0.00 72.50 70.65 2qbe s THR 65 CO -0.01 -0.00 0.02 0.61 -0.54 0.00 0.00 174.62 174.69 2qbe n GLY 66 N 4.25 0.79 1.48 3.99 0.00 -1.26 -4.37 105.19 110.07 2qbe n GLY 66 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2qbe n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbe n ASN 67 N -1.44 2.03 0.00 1.61 4.05 -1.19 -4.87 115.26 115.45 2qbe n ASN 67 Ca -0.00 -2.99 0.00 0.00 0.45 0.00 0.00 54.58 52.03 2qbe n ASN 67 Cb 0.50 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.10 2qbe n ASN 67 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2qbe n LYS 68 N -0.46 0.00 0.33 1.20 5.02 -1.26 -2.86 118.16 120.12 2qbe n LYS 68 Ca 0.17 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.67 2qbe n LYS 68 Cb 0.90 0.00 1.08 0.00 -0.02 0.00 0.00 35.03 36.99 2qbe n LYS 68 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2qbe h ASP 69 N 0.00 0.00 0.20 4.39 -0.00 -1.96 0.65 116.42 119.70 2qbe h ASP 69 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.68 2qbe h ASP 69 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 2qbe h ASP 69 CO 0.00 0.00 -1.95 0.00 -0.00 0.00 0.00 179.24 177.29 2qbe n ALA 70 N -2.01 1.02 -0.60 4.15 0.00 -1.14 -3.85 120.51 118.08 2qbe n ALA 70 Ca -0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 53.44 52.64 2qbe n ALA 70 Cb 0.14 -0.70 0.05 0.00 0.00 0.00 0.00 19.45 18.94 2qbe n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe n ALA 71 N -2.91 4.68 0.03 0.00 0.00 0.20 -3.72 120.51 118.79 2qbe n ALA 71 Ca -0.29 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.73 2qbe n ALA 71 Cb 1.05 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2qbe n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe n ALA 72 N 0.28 3.00 -0.10 0.00 0.00 0.31 -3.55 120.51 120.44 2qbe n ALA 72 Ca 0.27 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.96 2qbe n ALA 72 Cb 0.69 0.32 0.71 0.00 0.00 0.00 0.00 19.45 21.17 2qbe n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbe h ALA 73 N 0.00 2.70 -0.80 0.00 0.00 -1.70 0.71 119.26 120.18 2qbe h ALA 73 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2qbe h ALA 73 Cb 0.39 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2qbe h ALA 73 CO 0.00 -0.93 0.46 0.28 0.00 0.00 0.00 179.25 179.07 2qbe h VAL 74 N 0.00 0.96 -0.00 0.00 2.07 -1.83 0.32 116.25 117.76 2qbe h VAL 74 Ca 0.35 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2qbe h VAL 74 Cb 1.44 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2qbe h VAL 74 CO -0.00 0.15 -0.01 1.23 0.02 0.00 0.00 177.57 178.95 2qbe h GLY 75 N 0.82 0.01 0.53 2.17 0.00 0.18 -2.35 103.07 104.42 2qbe h GLY 75 Ca 0.37 -0.02 0.20 0.00 0.00 0.00 0.00 47.33 47.88 2qbe h GLY 75 CO -0.21 0.02 0.55 1.70 0.00 0.00 0.00 176.54 178.59 2qbe h LYS 76 N -0.69 0.00 0.28 4.80 3.64 -0.86 0.27 116.57 124.02 2qbe h LYS 76 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2qbe h LYS 76 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2qbe h LYS 76 CO 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 179.45 177.05 2qbe h ALA 77 N 1.54 -0.38 -0.60 5.00 0.00 -0.28 -3.05 119.26 121.49 2qbe h ALA 77 Ca 0.32 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2qbe h ALA 77 Cb 1.41 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2qbe h ALA 77 CO -0.00 -0.36 0.42 0.28 0.00 0.00 0.00 179.25 179.60 2qbe h VAL 78 N -1.09 0.72 0.00 0.00 2.07 -0.79 0.15 116.25 117.31 2qbe h VAL 78 Ca -0.04 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qbe h VAL 78 Cb 0.29 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2qbe h VAL 78 CO 0.06 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.66 2qbe n ALA 79 N -2.63 -0.21 -0.23 1.67 0.00 0.88 0.37 120.51 120.36 2qbe n ALA 79 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.56 2qbe n ALA 79 Cb 0.63 0.07 0.12 0.00 0.00 0.00 0.00 19.45 20.27 2qbe n ALA 79 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qbe h GLU 80 N 0.00 0.54 -0.96 0.00 4.11 -1.40 0.13 114.58 117.00 2qbe h GLU 80 Ca 0.00 -0.03 0.21 0.00 0.07 0.00 0.00 59.36 59.61 2qbe h GLU 80 Cb 0.00 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.05 2qbe h GLU 80 CO 0.00 0.36 0.62 -0.09 0.07 0.00 0.00 179.01 179.96 2qbe h ARG 81 N 0.55 0.50 -0.89 1.06 9.65 -0.65 0.52 114.38 125.11 2qbe h ARG 81 Ca 0.33 -0.03 -0.51 0.00 -1.10 0.00 0.00 59.98 58.68 2qbe h ARG 81 Cb 0.35 -0.11 -0.28 0.00 -1.39 0.00 0.00 29.97 28.54 2qbe h ARG 81 CO -0.27 0.33 0.54 0.00 2.80 0.00 0.00 179.97 183.37 2qbe n ALA 82 N -2.46 5.56 0.00 2.80 0.00 0.16 -3.87 120.51 122.71 2qbe n ALA 82 Ca 0.21 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.55 2qbe n ALA 82 Cb 0.69 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2qbe n ALA 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qbe n LEU 83 N -1.08 1.17 0.17 0.00 7.94 0.16 -3.26 117.00 122.10 2qbe n LEU 83 Ca 0.56 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.59 2qbe n LEU 83 Cb 1.32 0.00 0.52 0.00 0.53 0.00 0.00 43.42 45.80 2qbe n LEU 83 CO 0.58 0.20 0.89 -0.08 -1.11 0.00 0.00 177.39 177.87 2qbe h GLU 84 N 0.00 0.00 -0.00 1.96 4.81 -1.03 0.31 114.58 120.63 2qbe h GLU 84 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qbe h GLU 84 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2qbe h GLU 84 CO 0.00 0.00 -0.07 1.63 -0.73 0.00 0.00 179.01 179.84 2qbe n LYS 85 N -2.48 0.44 -0.80 1.92 4.76 -1.25 -4.87 118.16 115.88 2qbe n LYS 85 Ca 0.02 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2qbe n LYS 85 Cb 0.28 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2qbe n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbe n GLY 86 N 1.32 0.65 3.82 0.72 0.00 0.11 -5.03 105.19 106.78 2qbe n GLY 86 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2qbe n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbe s ILE 87 N -2.24 4.70 0.04 -0.61 -1.09 -1.20 -4.96 121.20 115.83 2qbe s ILE 87 Ca 0.00 1.11 -0.28 0.00 -2.23 0.00 0.00 60.65 59.25 2qbe s ILE 87 Cb 0.00 -3.83 0.09 0.00 -1.58 0.00 0.00 42.46 37.14 2qbe s ILE 87 CO 0.00 0.30 1.03 -0.75 -1.23 0.00 0.00 174.94 174.29 2qbe s LYS 88 N -1.77 0.84 -0.33 2.79 2.20 -1.26 -3.79 119.74 118.42 2qbe s LYS 88 Ca 0.38 -0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 55.51 2qbe s LYS 88 Cb -0.17 0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 2qbe s LYS 88 CO 0.20 -0.38 0.22 -3.47 -0.36 0.00 0.00 175.35 171.57 2qbe n ASP 89 N -0.36 -7.82 -4.02 1.43 4.64 -1.19 -4.89 116.55 104.33 2qbe n ASP 89 Ca -0.07 1.01 -0.24 0.00 -1.38 0.00 0.00 54.79 54.11 2qbe n ASP 89 Cb 0.61 -4.95 -0.08 0.00 -1.04 0.00 0.00 41.12 35.66 2qbe n ASP 89 CO 0.00 0.00 0.00 0.68 -0.82 0.00 0.00 177.20 177.06 2qbe s VAL 90 N -1.90 0.52 -0.02 5.18 -7.23 0.59 -4.89 120.40 112.63 2qbe s VAL 90 Ca 0.10 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 2qbe s VAL 90 Cb -0.02 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2qbe s VAL 90 CO 0.73 0.00 -0.08 -0.44 -0.31 0.00 0.00 175.10 175.00 2qbe s SER 91 N -3.56 4.56 -0.10 4.85 0.01 -1.00 -4.37 113.70 114.09 2qbe s SER 91 Ca 0.27 -0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.32 2qbe s SER 91 Cb 0.03 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.14 2qbe s SER 91 CO 0.16 0.31 0.21 0.12 0.41 0.00 0.00 173.24 174.46 2qbe s PHE 92 N -0.91 3.60 -0.44 2.43 5.36 -1.26 0.74 117.98 127.50 2qbe s PHE 92 Ca 0.15 0.62 0.03 0.00 -0.96 0.00 0.00 56.93 56.76 2qbe s PHE 92 Cb -0.11 -2.07 0.13 0.00 -0.34 0.00 0.00 43.02 40.63 2qbe s PHE 92 CO 0.05 0.64 0.21 0.34 -1.46 0.00 0.00 175.22 174.99 2qbe s ASP 93 N -0.80 4.02 0.00 6.13 3.68 -1.18 -4.89 116.67 123.64 2qbe s ASP 93 Ca 0.16 -2.57 0.00 0.00 2.13 0.00 0.00 52.55 52.27 2qbe s ASP 93 Cb -0.13 -1.27 0.00 0.00 -1.45 0.00 0.00 42.92 40.07 2qbe s ASP 93 CO 0.06 -0.29 0.33 -2.11 0.13 0.00 0.00 175.17 173.29 2qbe n ARG 94 N 3.65 0.00 -4.04 4.34 1.85 -1.26 -3.49 116.66 117.71 2qbe n ARG 94 Ca 0.06 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.62 2qbe n ARG 94 Cb 0.35 -1.34 -0.07 0.00 -1.05 0.00 0.00 32.46 30.36 2qbe n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbe n SER 95 N -0.83 0.11 0.00 2.89 7.64 -1.26 0.41 113.62 122.58 2qbe n SER 95 Ca 0.00 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2qbe n SER 95 Cb 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 2qbe n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbe n GLY 96 N -2.28 2.99 3.63 0.23 0.00 -1.26 -4.79 105.19 103.70 2qbe n GLY 96 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 2qbe n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbe s PHE 97 N -1.62 2.71 -0.70 1.61 0.08 0.17 -4.91 117.98 115.33 2qbe s PHE 97 Ca 0.00 0.88 -0.33 0.00 0.12 0.00 0.00 56.93 57.60 2qbe s PHE 97 Cb 0.00 -3.94 -0.17 0.00 -0.57 0.00 0.00 43.02 38.34 2qbe s PHE 97 CO 0.00 -1.62 2.47 0.94 -0.10 0.00 0.00 175.22 176.90 2qbe n GLN 98 N 7.35 0.41 -1.54 0.44 0.00 -1.26 -4.72 117.38 118.06 2qbe n GLN 98 Ca 0.14 0.05 -0.22 0.00 -0.00 0.00 0.00 57.00 56.97 2qbe n GLN 98 Cb 0.47 -2.07 -0.12 0.00 0.00 0.00 0.00 30.24 28.52 2qbe n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qbe n TYR 99 N 11.04 0.82 0.00 3.69 4.19 -1.26 -3.83 117.16 131.81 2qbe n TYR 99 Ca 0.54 0.05 0.00 0.00 3.31 0.00 0.00 57.90 61.80 2qbe n TYR 99 Cb 0.16 -2.00 0.00 0.00 0.49 0.00 0.00 39.34 37.99 2qbe n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qbe n HIS 100 N 13.72 0.00 0.00 2.98 -0.00 -1.26 -4.83 115.22 125.83 2qbe n HIS 100 Ca 0.53 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.71 2qbe n HIS 100 Cb 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.20 2qbe n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qbe n GLY 101 N -0.96 0.61 0.23 1.57 0.00 -1.25 -4.57 105.19 100.83 2qbe n GLY 101 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2qbe n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbe h ARG 102 N 0.00 0.77 -0.59 1.61 3.08 -1.91 -1.91 114.38 115.43 2qbe h ARG 102 Ca 0.00 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 2qbe h ARG 102 Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2qbe h ARG 102 CO 0.00 0.86 0.27 0.28 -1.07 0.00 0.00 179.97 180.31 2qbe h VAL 103 N 0.60 1.20 -0.19 2.04 2.07 -1.90 -0.85 116.25 119.23 2qbe h VAL 103 Ca 0.12 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2qbe h VAL 103 Cb 0.54 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2qbe h VAL 103 CO 0.03 0.24 0.05 -0.61 0.02 0.00 0.00 177.57 177.30 2qbe h GLN 104 N 0.84 0.13 0.00 1.57 -0.00 -1.72 -3.31 115.11 112.61 2qbe h GLN 104 Ca 0.20 -0.01 -0.26 0.00 -0.00 0.00 0.00 58.65 58.59 2qbe h GLN 104 Cb 0.12 -0.03 0.12 0.00 0.00 0.00 0.00 27.48 27.68 2qbe h GLN 104 CO -0.02 0.08 0.18 0.00 0.00 0.00 0.00 178.83 179.07 2qbe n ALA 105 N -2.25 -1.51 0.00 3.38 0.00 -0.32 -3.60 120.51 116.21 2qbe n ALA 105 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2qbe n ALA 105 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2qbe n ALA 105 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2qbe n LEU 106 N 0.00 0.00 -0.18 0.00 -0.00 -1.23 -4.25 117.00 111.34 2qbe n LEU 106 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.02 2qbe n LEU 106 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.80 2qbe n LEU 106 CO 0.26 0.00 0.83 0.00 -0.00 0.00 0.00 177.39 178.48 2qbe h ALA 107 N 0.00 0.70 0.00 1.47 0.00 -1.65 0.72 119.26 120.50 2qbe h ALA 107 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 2qbe h ALA 107 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qbe h ALA 107 CO 0.00 0.49 -0.40 -0.44 0.00 0.00 0.00 179.25 178.90 2qbe h ASP 108 N 0.77 0.00 0.15 0.00 3.32 -1.74 0.20 116.42 119.12 2qbe h ASP 108 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2qbe h ASP 108 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2qbe h ASP 108 CO 0.02 0.40 -0.07 0.00 -1.72 0.00 0.00 179.24 177.87 2qbe h ALA 109 N 1.60 -0.20 -0.03 3.45 0.00 -1.49 0.99 119.26 123.57 2qbe h ALA 109 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2qbe h ALA 109 Cb 0.97 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qbe h ALA 109 CO 0.05 -0.41 -0.35 0.00 0.00 0.00 0.00 179.25 178.54 2qbe h ALA 110 N 0.16 1.36 0.43 0.00 0.00 0.50 0.39 119.26 122.10 2qbe h ALA 110 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2qbe h ALA 110 Cb 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbe h ALA 110 CO 0.03 0.47 -0.21 -0.09 0.00 0.00 0.00 179.25 179.45 2qbe h ARG 111 N 0.06 -0.56 -0.71 0.00 9.65 -0.41 -0.20 114.38 122.21 2qbe h ARG 111 Ca 0.01 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2qbe h ARG 111 Cb 0.65 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.32 2qbe h ARG 111 CO 0.05 -0.26 0.35 1.49 2.80 0.00 0.00 179.97 184.40 2qbe h GLU 112 N -0.88 0.99 -0.12 0.20 4.22 0.12 -2.08 114.58 117.04 2qbe h GLU 112 Ca -0.06 -0.13 0.03 0.00 0.08 0.00 0.00 59.36 59.29 2qbe h GLU 112 Cb 0.56 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2qbe h GLU 112 CO 0.10 0.76 0.10 0.00 -2.18 0.00 0.00 179.01 177.79 2qbe h ALA 113 N 1.39 1.92 0.00 2.92 0.00 -0.15 -3.46 119.26 121.89 2qbe h ALA 113 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qbe h ALA 113 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2qbe h ALA 113 CO -0.03 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2qbe n GLY 114 N -1.47 1.40 3.52 0.00 0.00 -0.78 -4.85 105.19 103.01 2qbe n GLY 114 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 2qbe n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbe n LEU 115 N 0.00 0.66 -4.45 0.99 -0.00 -0.12 -4.91 117.00 109.17 2qbe n LEU 115 Ca 0.00 1.15 -0.44 0.00 -0.00 0.00 0.00 56.01 56.73 2qbe n LEU 115 Cb 0.00 -1.14 -0.08 0.00 -0.00 0.00 0.00 43.42 42.20 2qbe n LEU 115 CO 0.00 -1.90 0.11 -1.10 -0.00 0.00 0.00 177.39 174.51 2qbe s GLN 116 N -0.95 3.05 0.00 1.96 1.11 -1.26 -4.50 119.66 119.06 2qbe s GLN 116 Ca 0.66 -0.98 0.00 0.00 0.01 0.00 0.00 55.36 55.05 2qbe s GLN 116 Cb -0.85 -4.04 0.00 0.00 -1.01 0.00 0.00 33.01 27.10 2qbe s GLN 116 CO 0.56 -0.97 0.00 1.97 0.01 0.00 0.00 175.29 176.87