#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi h LYS 3 N 0.00 0.05 0.00 -0.67 -0.00 -2.07 -0.15 116.57 113.73 2qbi h LYS 3 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qbi h LYS 3 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 32.22 2qbi h LYS 3 CO 0.00 0.03 -0.00 -0.22 -0.00 0.00 0.00 179.45 179.26 2qbi h LYS 4 N 0.05 0.00 -1.15 0.07 3.64 -2.06 -3.32 116.57 113.80 2qbi h LYS 4 Ca 0.75 0.00 0.41 0.00 -1.27 0.00 0.00 60.65 60.54 2qbi h LYS 4 Cb 2.81 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 34.50 2qbi h LYS 4 CO -0.11 0.00 0.72 0.43 -2.27 0.00 0.00 179.45 178.22 2qbi n SER 5 N -2.09 0.21 0.14 4.20 7.64 -0.89 -0.67 113.62 122.15 2qbi n SER 5 Ca -0.00 1.27 -0.07 0.00 1.01 0.00 0.00 58.87 61.08 2qbi n SER 5 Cb 0.00 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 62.54 2qbi n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qbi h ALA 6 N 1.47 -0.97 -1.02 -0.43 0.00 -1.18 -2.74 119.26 114.40 2qbi h ALA 6 Ca 0.77 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.90 2qbi h ALA 6 Cb 2.40 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 20.43 2qbi h ALA 6 CO -0.46 -0.97 0.60 -0.09 0.00 0.00 0.00 179.25 178.33 2qbi h ARG 7 N -0.42 0.39 0.00 0.00 2.43 -0.99 -2.67 114.38 113.12 2qbi h ARG 7 Ca -0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qbi h ARG 7 Cb 0.35 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2qbi h ARG 7 CO 0.01 0.26 0.00 -0.89 -1.51 0.00 0.00 179.97 177.83 2qbi n ILE 8 N -4.96 0.00 -0.23 1.20 5.41 -1.04 -2.46 119.36 117.28 2qbi n ILE 8 Ca 0.30 1.41 0.03 0.00 1.00 0.00 0.00 62.75 65.49 2qbi n ILE 8 Cb 0.92 -2.11 0.14 0.00 -0.71 0.00 0.00 39.64 37.89 2qbi n ILE 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2qbi h ARG 9 N 0.00 0.33 -0.87 0.38 -0.00 -1.39 0.98 114.38 113.81 2qbi h ARG 9 Ca 0.00 -0.02 0.16 0.00 -0.00 0.00 0.00 59.98 60.12 2qbi h ARG 9 Cb 0.00 -0.07 -0.16 0.00 -0.00 0.00 0.00 29.97 29.74 2qbi h ARG 9 CO 0.00 0.22 -0.27 0.00 -0.00 0.00 0.00 179.97 179.92 2qbi h ARG 10 N 0.34 -0.02 0.00 0.08 3.08 -1.26 0.18 114.38 116.78 2qbi h ARG 10 Ca 0.36 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.29 2qbi h ARG 10 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2qbi h ARG 10 CO -0.41 -0.01 -0.83 0.00 -1.07 0.00 0.00 179.97 177.65 2qbi h ALA 11 N 1.67 0.65 -0.99 0.04 0.00 -1.02 -3.31 119.26 116.30 2qbi h ALA 11 Ca 0.39 -0.59 0.29 0.00 0.00 0.00 0.00 54.91 54.99 2qbi h ALA 11 Cb 0.63 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2qbi h ALA 11 CO -0.90 0.73 0.95 1.15 0.00 0.00 0.00 179.25 181.18 2qbi h THR 12 N 0.00 0.18 0.00 0.00 2.02 0.19 0.90 112.91 116.20 2qbi h THR 12 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2qbi h THR 12 Cb 1.46 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2qbi h THR 12 CO 0.06 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.81 2qbi n ARG 13 N -3.62 0.00 -0.24 6.66 3.00 -1.17 -3.39 116.66 117.90 2qbi n ARG 13 Ca 0.21 0.00 0.29 0.00 -0.00 0.00 0.00 57.85 58.35 2qbi n ARG 13 Cb 1.27 -0.73 0.69 0.00 0.00 0.00 0.00 32.46 33.69 2qbi n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qbi h ALA 14 N -2.00 2.80 0.00 5.13 0.00 -1.73 0.48 119.26 123.94 2qbi h ALA 14 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qbi h ALA 14 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qbi h ALA 14 CO 0.00 -1.09 0.00 0.54 0.00 0.00 0.00 179.25 178.70 2qbi n ARG 15 N -4.30 0.13 -0.04 0.00 1.74 0.27 0.72 116.66 115.18 2qbi n ARG 15 Ca 0.21 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.20 2qbi n ARG 15 Cb 1.00 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 31.04 2qbi n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qbi n ARG 16 N -0.87 0.18 -0.26 5.56 3.00 0.17 -4.08 116.66 120.36 2qbi n ARG 16 Ca 0.02 0.08 0.02 0.00 -0.00 0.00 0.00 57.85 57.97 2qbi n ARG 16 Cb 0.01 -0.81 0.24 0.00 0.00 0.00 0.00 32.46 31.90 2qbi n ARG 16 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2qbi h LYS 17 N -0.30 1.00 -0.64 -0.14 3.11 -1.24 1.62 116.57 119.98 2qbi h LYS 17 Ca -0.22 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.49 2qbi h LYS 17 Cb 1.19 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 32.17 2qbi h LYS 17 CO -0.13 0.66 0.14 1.25 -2.81 0.00 0.00 179.45 178.56 2qbi h LEU 18 N 1.03 1.00 0.45 5.20 5.85 0.05 0.22 115.31 129.11 2qbi h LEU 18 Ca 0.33 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2qbi h LEU 18 Cb 0.03 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2qbi h LEU 18 CO -0.09 0.98 -0.22 -0.61 -0.34 0.00 0.00 178.44 178.16 2qbi h GLN 19 N 0.96 -0.59 -0.96 1.25 4.15 -1.04 -2.58 115.11 116.31 2qbi h GLN 19 Ca 0.20 0.04 0.23 0.00 0.77 0.00 0.00 58.65 59.89 2qbi h GLN 19 Cb 0.39 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.09 2qbi h GLN 19 CO 0.01 -0.29 0.52 1.49 -1.93 0.00 0.00 178.83 178.63 2qbi h GLU 20 N -1.00 0.50 0.00 1.69 4.22 0.24 1.37 114.58 121.60 2qbi h GLU 20 Ca -0.06 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2qbi h GLU 20 Cb 0.57 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2qbi h GLU 20 CO 0.10 0.33 0.00 1.28 -2.18 0.00 0.00 179.01 178.55 2qbi n LEU 21 N -4.94 0.62 -2.78 1.64 4.77 0.77 -4.96 117.00 112.11 2qbi n LEU 21 Ca 0.25 0.64 -0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2qbi n LEU 21 Cb 0.70 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2qbi n LEU 21 CO 0.15 -0.48 -0.50 0.61 -1.33 0.00 0.00 177.39 175.84 2qbi n GLY 22 N 0.18 -3.75 3.59 -0.72 0.00 0.47 -5.07 105.19 99.89 2qbi n GLY 22 Ca 0.03 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 2qbi n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi s ALA 23 N -1.53 -1.88 -0.03 4.61 0.00 -1.23 -4.99 121.76 116.70 2qbi s ALA 23 Ca -0.01 1.67 -0.30 0.00 0.00 0.00 0.00 51.96 53.32 2qbi s ALA 23 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 2qbi s ALA 23 CO 0.68 -0.31 1.42 0.95 0.00 0.00 0.00 175.76 178.50 2qbi s THR 24 N -0.55 3.77 0.30 0.00 -4.23 -1.26 -4.29 115.64 109.39 2qbi s THR 24 Ca -0.03 1.09 0.07 0.00 -1.18 0.00 0.00 61.69 61.65 2qbi s THR 24 Cb -0.02 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2qbi s THR 24 CO 0.02 -0.03 0.25 0.00 -0.54 0.00 0.00 174.62 174.32 2qbi s ARG 25 N 2.85 2.82 -1.02 3.99 1.70 -1.03 -2.55 118.95 125.71 2qbi s ARG 25 Ca 0.64 -1.18 -0.01 0.00 -0.47 0.00 0.00 55.73 54.71 2qbi s ARG 25 Cb -0.30 -2.52 0.32 0.00 -0.57 0.00 0.00 34.95 31.87 2qbi s ARG 25 CO 0.25 0.23 1.68 -0.11 -1.08 0.00 0.00 175.30 176.28 2qbi n LEU 26 N -1.29 6.94 -4.44 -1.89 7.94 0.62 -1.94 117.00 122.94 2qbi n LEU 26 Ca -0.04 -5.36 -0.48 0.00 -1.11 0.00 0.00 56.01 49.02 2qbi n LEU 26 Cb 0.59 -1.17 -0.09 0.00 0.53 0.00 0.00 43.42 43.28 2qbi n LEU 26 CO 0.43 1.97 1.93 0.52 -1.11 0.00 0.00 177.39 181.12 2qbi n VAL 27 N 0.32 0.07 -3.97 1.96 0.31 -0.03 -3.98 118.33 113.03 2qbi n VAL 27 Ca 0.40 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 2qbi n VAL 27 Cb 0.29 -1.40 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 2qbi n VAL 27 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qbi s VAL 28 N 8.30 5.11 0.01 2.52 0.11 -1.12 -2.22 120.40 133.11 2qbi s VAL 28 Ca 1.15 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 59.74 2qbi s VAL 28 Cb -0.94 -3.47 -0.01 0.00 -1.53 0.00 0.00 36.38 30.44 2qbi s VAL 28 CO 0.48 0.17 -0.03 -2.28 -3.33 0.00 0.00 175.10 170.11 2qbi s HIS 29 N -1.44 0.25 0.09 1.54 5.04 -1.14 -4.43 115.29 115.20 2qbi s HIS 29 Ca 0.32 -0.20 0.08 0.00 -1.54 0.00 0.00 55.06 53.72 2qbi s HIS 29 Cb -0.13 -0.16 -0.03 0.00 0.04 0.00 0.00 32.58 32.30 2qbi s HIS 29 CO 0.25 -0.05 -0.21 0.50 -2.34 0.00 0.00 174.74 172.88 2qbi s ARG 30 N -0.53 1.21 0.06 2.88 3.52 -1.26 -0.82 118.95 124.00 2qbi s ARG 30 Ca -0.04 -1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 54.35 2qbi s ARG 30 Cb -0.04 -1.44 0.01 0.00 -1.56 0.00 0.00 34.95 31.92 2qbi s ARG 30 CO -0.00 0.34 0.23 -0.08 -0.81 0.00 0.00 175.30 174.98 2qbi s THR 31 N -1.05 0.11 0.33 4.11 -1.32 -0.90 -5.00 115.64 111.92 2qbi s THR 31 Ca 0.07 -0.92 0.10 0.00 -1.21 0.00 0.00 61.69 59.73 2qbi s THR 31 Cb -0.10 -1.06 0.36 0.00 -1.51 0.00 0.00 72.50 70.20 2qbi s THR 31 CO 0.04 -0.51 1.60 -0.65 -2.21 0.00 0.00 174.62 172.89 2qbi h PRO 32 N 3.15 0.08 0.00 7.08 0.11 -1.99 -2.93 132.00 137.50 2qbi h PRO 32 Ca -0.33 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 2qbi h PRO 32 Cb 1.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qbi h PRO 32 CO 0.50 0.05 -1.41 0.54 -0.21 0.00 0.00 178.00 177.47 2qbi n ARG 33 N -5.31 0.57 -4.50 1.05 3.00 -1.26 -4.98 116.66 105.23 2qbi n ARG 33 Ca 0.29 -0.07 -0.30 0.00 -0.01 0.00 0.00 57.85 57.76 2qbi n ARG 33 Cb 0.94 -1.20 -0.06 0.00 0.00 0.00 0.00 32.46 32.14 2qbi n ARG 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2qbi n HIS 34 N -1.86 1.04 -3.67 -1.55 8.25 -1.11 -3.32 115.22 113.00 2qbi n HIS 34 Ca -0.03 -2.36 -0.10 0.00 -0.26 0.00 0.00 57.72 54.97 2qbi n HIS 34 Cb 0.29 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 31.00 2qbi n HIS 34 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qbi s ILE 35 N -2.74 -0.50 0.45 1.59 -1.09 -1.26 -2.12 121.20 115.53 2qbi s ILE 35 Ca 0.01 0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.68 2qbi s ILE 35 Cb 0.00 -0.61 -0.01 0.00 -1.58 0.00 0.00 42.46 40.26 2qbi s ILE 35 CO 0.01 0.07 0.35 -0.31 -1.23 0.00 0.00 174.94 173.84 2qbi s TYR 36 N 2.36 2.38 -0.20 3.97 4.12 -0.00 -2.32 117.35 127.66 2qbi s TYR 36 Ca -0.03 -0.61 -0.30 0.00 0.02 0.00 0.00 57.07 56.16 2qbi s TYR 36 Cb -0.11 -2.07 0.15 0.00 -1.52 0.00 0.00 41.96 38.41 2qbi s TYR 36 CO -0.12 -0.18 1.12 0.00 0.02 0.00 0.00 175.55 176.40 2qbi s ALA 37 N -2.58 -2.00 -0.28 3.71 0.00 -0.98 -2.88 121.76 116.76 2qbi s ALA 37 Ca 0.43 1.67 -0.27 0.00 0.00 0.00 0.00 51.96 53.80 2qbi s ALA 37 Cb -0.02 -0.90 0.18 0.00 0.00 0.00 0.00 23.12 22.38 2qbi s ALA 37 CO 0.25 -0.31 1.32 1.14 0.00 0.00 0.00 175.76 178.16 2qbi s GLN 38 N -1.21 0.17 -0.61 0.00 -2.07 -0.94 -3.20 119.66 111.80 2qbi s GLN 38 Ca 0.02 0.14 -0.12 0.00 -1.82 0.00 0.00 55.36 53.59 2qbi s GLN 38 Cb -0.01 0.08 0.16 0.00 -1.09 0.00 0.00 33.01 32.15 2qbi s GLN 38 CO -0.02 -0.03 0.53 0.08 -1.32 0.00 0.00 175.29 174.52 2qbi s VAL 39 N -0.31 4.88 0.29 3.63 1.01 -1.25 -0.85 120.40 127.79 2qbi s VAL 39 Ca 0.06 -2.02 -0.28 0.00 0.00 0.00 0.00 61.98 59.74 2qbi s VAL 39 Cb -0.04 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 2qbi s VAL 39 CO -0.11 -0.89 0.95 -0.63 0.00 0.00 0.00 175.10 174.42 2qbi s ILE 40 N 0.94 4.11 1.07 2.22 1.01 -0.82 -1.82 121.20 127.91 2qbi s ILE 40 Ca 0.10 1.92 -0.12 0.00 0.00 0.00 0.00 60.65 62.55 2qbi s ILE 40 Cb -0.22 -4.15 0.23 0.00 0.01 0.00 0.00 42.46 38.34 2qbi s ILE 40 CO -0.02 0.31 1.07 0.00 0.00 0.00 0.00 174.94 176.30 2qbi s ALA 41 N -1.41 0.23 0.15 9.38 0.00 -0.33 -2.48 121.76 127.29 2qbi s ALA 41 Ca 0.46 0.18 -0.24 0.00 0.00 0.00 0.00 51.96 52.36 2qbi s ALA 41 Cb -0.22 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.57 2qbi s ALA 41 CO 0.28 -3.48 1.62 -1.35 0.00 0.00 0.00 175.76 172.83 2qbi h PRO 42 N -2.37 -0.31 -0.24 0.00 0.11 -1.89 0.30 132.00 127.60 2qbi h PRO 42 Ca -0.54 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.66 2qbi h PRO 42 Cb 1.31 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 2qbi h PRO 42 CO 0.46 -0.20 0.37 -2.95 -0.21 0.00 0.00 178.00 175.47 2qbi h ASN 43 N -0.32 0.00 -0.15 -2.05 7.08 -1.91 -3.43 115.58 114.80 2qbi h ASN 43 Ca 0.12 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.28 2qbi h ASN 43 Cb 0.51 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.73 2qbi h ASN 43 CO -0.40 0.00 -0.06 0.61 -2.08 0.00 0.00 177.43 175.51 2qbi n GLY 44 N -1.38 0.63 0.43 9.14 0.00 0.09 -4.92 105.19 109.18 2qbi n GLY 44 Ca 0.03 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2qbi n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbi n SER 45 N 1.26 1.35 -4.82 1.61 7.64 -1.26 -4.95 113.62 114.46 2qbi n SER 45 Ca -0.03 0.23 -0.37 0.00 1.01 0.00 0.00 58.87 59.71 2qbi n SER 45 Cb 0.11 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 2qbi n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qbi s GLU 46 N -2.38 3.78 0.87 1.43 -1.05 -1.26 -4.99 118.70 115.09 2qbi s GLU 46 Ca -0.25 -0.05 -0.12 0.00 -0.15 0.00 0.00 54.97 54.40 2qbi s GLU 46 Cb 0.09 -3.28 0.14 0.00 -0.44 0.00 0.00 34.13 30.64 2qbi s GLU 46 CO 0.32 0.59 1.22 0.08 0.95 0.00 0.00 175.26 178.41 2qbi s VAL 47 N -0.53 2.04 0.00 1.83 1.01 -1.26 -1.19 120.40 122.30 2qbi s VAL 47 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2qbi s VAL 47 Cb -0.12 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2qbi s VAL 47 CO 0.04 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.32 2qbi n LEU 48 N -3.45 0.50 0.00 3.92 4.77 -0.76 -4.70 117.00 117.28 2qbi n LEU 48 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2qbi n LEU 48 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2qbi n LEU 48 CO 0.49 -0.07 0.00 1.33 -1.33 0.00 0.00 177.39 177.81 2qbi n VAL 49 N -2.57 0.00 -3.61 4.08 0.24 -1.25 -5.01 118.33 110.20 2qbi n VAL 49 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2qbi n VAL 49 Cb 0.28 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.63 2qbi n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbi s ALA 50 N -2.00 -2.16 0.00 2.33 0.00 -1.26 -4.46 121.76 114.20 2qbi s ALA 50 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2qbi s ALA 50 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2qbi s ALA 50 CO 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 175.76 175.12 2qbi n ALA 51 N -0.12 0.00 -3.48 0.00 0.00 -1.20 -4.22 120.51 111.50 2qbi n ALA 51 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 2qbi n ALA 51 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 2qbi n ALA 51 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qbi s SER 52 N 0.00 -0.59 0.49 0.00 1.04 -1.26 -2.31 113.70 111.07 2qbi s SER 52 Ca 0.00 0.74 0.26 0.00 0.48 0.00 0.00 55.95 57.43 2qbi s SER 52 Cb 0.00 0.67 1.41 0.00 0.10 0.00 0.00 66.02 68.20 2qbi s SER 52 CO 0.00 -0.50 1.76 0.71 0.98 0.00 0.00 173.24 176.19 2qbi h THR 53 N 3.38 0.00 0.00 2.02 1.35 -1.85 0.78 112.91 118.59 2qbi h THR 53 Ca -0.28 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.51 2qbi h THR 53 Cb 1.15 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2qbi h THR 53 CO 0.33 0.00 -0.36 1.62 -0.25 0.00 0.00 175.52 176.86 2qbi h VAL 54 N 0.00 0.92 -3.17 6.82 3.04 -1.95 -3.36 116.25 118.54 2qbi h VAL 54 Ca 0.00 -1.42 -0.57 0.00 -1.01 0.00 0.00 66.70 63.70 2qbi h VAL 54 Cb 0.38 1.85 -0.05 0.00 -2.01 0.00 0.00 31.29 31.47 2qbi h VAL 54 CO 0.00 0.35 1.10 -1.61 -1.01 0.00 0.00 177.57 176.41 2qbi s GLU 55 N -3.73 3.52 0.05 4.17 2.02 0.27 -4.91 118.70 120.08 2qbi s GLU 55 Ca -0.01 0.99 -0.09 0.00 0.02 0.00 0.00 54.97 55.88 2qbi s GLU 55 Cb 0.12 -4.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.27 2qbi s GLU 55 CO 0.68 -1.63 0.92 1.17 0.02 0.00 0.00 175.26 176.42 2qbi n LYS 56 N 8.16 -0.13 -0.11 1.61 4.81 -1.26 -1.09 118.16 130.14 2qbi n LYS 56 Ca 0.17 0.91 0.01 0.00 -0.87 0.00 0.00 58.31 58.53 2qbi n LYS 56 Cb 0.48 -1.35 0.03 0.00 0.02 0.00 0.00 35.03 34.21 2qbi n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbi n ALA 57 N -3.03 0.03 -0.02 3.14 0.00 -1.26 -0.00 120.51 119.37 2qbi n ALA 57 Ca 0.01 0.33 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 2qbi n ALA 57 Cb 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.31 2qbi n ALA 57 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbi h ILE 58 N 0.00 0.52 -1.02 0.00 2.04 -1.44 -3.31 117.51 114.30 2qbi h ILE 58 Ca 0.13 -1.29 0.30 0.00 1.00 0.00 0.00 64.86 65.00 2qbi h ILE 58 Cb 0.21 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2qbi h ILE 58 CO -0.31 0.17 1.03 0.00 0.00 0.00 0.00 178.15 179.03 2qbi h ALA 59 N -0.69 2.90 -3.00 1.87 0.00 0.28 -2.57 119.26 118.05 2qbi h ALA 59 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qbi h ALA 59 Cb 0.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2qbi h ALA 59 CO 0.01 -1.55 0.00 0.39 0.00 0.00 0.00 179.25 178.10 2qbi n GLU 60 N -3.52 0.00 0.28 0.00 -0.58 0.24 -2.66 120.64 114.39 2qbi n GLU 60 Ca 0.22 0.09 0.14 0.00 -0.42 0.00 0.00 57.16 57.20 2qbi n GLU 60 Cb 1.35 -0.94 0.76 0.00 -0.57 0.00 0.00 31.44 32.03 2qbi n GLU 60 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2qbi h GLN 61 N 0.00 0.00 -6.40 3.49 1.08 -1.71 -3.42 115.11 108.15 2qbi h GLN 61 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 2qbi h GLN 61 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2qbi h GLN 61 CO 0.00 0.00 0.94 -0.51 -0.95 0.00 0.00 178.83 178.31 2qbi s LEU 62 N -5.30 4.34 0.00 1.46 2.01 -0.99 -4.95 118.68 115.25 2qbi s LEU 62 Ca -0.03 2.31 0.00 0.00 0.01 0.00 0.00 54.13 56.42 2qbi s LEU 62 Cb 0.08 -3.56 0.00 0.00 0.01 0.00 0.00 46.19 42.72 2qbi s LEU 62 CO 0.25 -0.82 0.76 1.17 1.01 0.00 0.00 176.35 178.72 2qbi n LYS 63 N 5.65 0.00 -4.59 1.70 4.81 -1.26 -4.76 118.16 119.70 2qbi n LYS 63 Ca 0.15 0.31 -0.25 0.00 -0.87 0.00 0.00 58.31 57.65 2qbi n LYS 63 Cb 0.42 -1.26 -0.17 0.00 0.02 0.00 0.00 35.03 34.05 2qbi n LYS 63 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2qbi s TYR 64 N -2.03 1.56 0.21 5.64 5.04 -1.26 -5.11 117.35 121.41 2qbi s TYR 64 Ca 0.00 -0.60 -0.32 0.00 -2.44 0.00 0.00 57.07 53.71 2qbi s TYR 64 Cb 0.00 -1.14 -0.13 0.00 0.35 0.00 0.00 41.96 41.04 2qbi s TYR 64 CO 0.00 -0.31 1.56 0.25 -1.34 0.00 0.00 175.55 175.71 2qbi n THR 65 N 3.86 0.41 -3.51 4.34 -2.24 -1.26 -2.09 114.28 113.79 2qbi n THR 65 Ca -0.22 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 2qbi n THR 65 Cb 0.52 -1.66 0.07 0.00 -2.10 0.00 0.00 70.33 67.16 2qbi n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbi n GLY 66 N 2.98 -0.35 2.60 3.38 0.00 -1.21 -4.42 105.19 108.16 2qbi n GLY 66 Ca 0.14 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 2qbi n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qbi n ASN 67 N -3.10 6.39 0.00 1.61 4.05 -0.89 -4.79 115.26 118.53 2qbi n ASN 67 Ca -0.27 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 50.97 2qbi n ASN 67 Cb 0.66 -0.78 0.00 0.00 1.23 0.00 0.00 39.78 40.89 2qbi n ASN 67 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2qbi n LYS 68 N -0.60 0.00 0.27 1.20 4.81 -1.26 -2.48 118.16 120.10 2qbi n LYS 68 Ca 0.50 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 58.09 2qbi n LYS 68 Cb 0.51 0.00 0.90 0.00 0.02 0.00 0.00 35.03 36.46 2qbi n LYS 68 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2qbi h ASP 69 N 0.00 0.00 -0.09 3.14 2.03 -1.95 0.41 116.42 119.96 2qbi h ASP 69 Ca 0.00 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.09 2qbi h ASP 69 Cb 0.00 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.51 2qbi h ASP 69 CO 0.00 0.00 -0.79 0.00 -1.03 0.00 0.00 179.24 177.42 2qbi h ALA 70 N 1.92 0.21 0.00 4.15 0.00 -1.75 -2.79 119.26 121.00 2qbi h ALA 70 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2qbi h ALA 70 Cb 0.16 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qbi h ALA 70 CO -0.00 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 2qbi n ALA 71 N -2.61 2.44 0.02 0.00 0.00 0.14 -3.39 120.51 117.11 2qbi n ALA 71 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 2qbi n ALA 71 Cb 0.75 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 2qbi n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 72 N 0.53 2.53 -0.32 0.00 0.00 -0.94 -3.26 120.51 119.05 2qbi n ALA 72 Ca 0.00 -0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.48 2qbi n ALA 72 Cb 0.47 0.16 0.43 0.00 0.00 0.00 0.00 19.45 20.51 2qbi n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h ALA 73 N -0.25 1.99 -0.99 0.00 0.00 -1.58 0.95 119.26 119.38 2qbi h ALA 73 Ca 0.00 0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.18 2qbi h ALA 73 Cb 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 2qbi h ALA 73 CO 0.00 -0.36 0.59 0.28 0.00 0.00 0.00 179.25 179.76 2qbi h VAL 74 N 0.54 0.65 0.00 0.00 2.07 -1.83 1.16 116.25 118.85 2qbi h VAL 74 Ca 0.56 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 2qbi h VAL 74 Cb 1.19 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2qbi h VAL 74 CO -0.31 0.13 -0.05 1.23 0.02 0.00 0.00 177.57 178.59 2qbi h GLY 75 N 0.69 0.03 1.77 2.17 0.00 0.64 -2.98 103.07 105.40 2qbi h GLY 75 Ca 0.59 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.87 2qbi h GLY 75 CO -0.42 0.05 0.11 1.70 0.00 0.00 0.00 176.54 177.98 2qbi h LYS 76 N -0.84 0.00 0.34 4.80 3.64 -0.06 -0.64 116.57 123.81 2qbi h LYS 76 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2qbi h LYS 76 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2qbi h LYS 76 CO 0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 179.45 177.03 2qbi h ALA 77 N 1.81 -0.45 0.00 5.00 0.00 0.14 -2.92 119.26 122.84 2qbi h ALA 77 Ca 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qbi h ALA 77 Cb 0.22 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbi h ALA 77 CO -0.00 -0.46 -0.00 -0.39 0.00 0.00 0.00 179.25 178.39 2qbi h VAL 78 N -1.03 0.15 0.04 0.00 -1.51 -1.20 -0.90 116.25 111.79 2qbi h VAL 78 Ca -0.05 -0.01 -0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2qbi h VAL 78 Cb 0.47 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2qbi h VAL 78 CO 0.08 0.00 -0.02 0.00 -1.23 0.00 0.00 177.57 176.40 2qbi h ALA 79 N 2.00 -0.91 -0.23 5.19 0.00 -1.04 1.35 119.26 125.62 2qbi h ALA 79 Ca -0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qbi h ALA 79 Cb 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qbi h ALA 79 CO 0.00 -0.90 0.16 1.05 0.00 0.00 0.00 179.25 179.56 2qbi h GLU 80 N -0.06 0.10 -0.05 0.00 4.11 -1.35 -0.92 114.58 116.41 2qbi h GLU 80 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2qbi h GLU 80 Cb 0.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2qbi h GLU 80 CO 0.01 0.07 -0.01 -0.09 0.07 0.00 0.00 179.01 179.06 2qbi h ARG 81 N 0.11 0.10 -0.92 1.06 9.65 -1.04 0.32 114.38 123.66 2qbi h ARG 81 Ca 0.10 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2qbi h ARG 81 Cb 0.28 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2qbi h ARG 81 CO -0.01 0.42 0.00 0.00 2.80 0.00 0.00 179.97 183.18 2qbi n ALA 82 N -2.30 2.76 0.00 2.80 0.00 0.46 -3.03 120.51 121.21 2qbi n ALA 82 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2qbi n ALA 82 Cb 0.21 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2qbi n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbi n LEU 83 N 0.12 1.22 0.23 0.00 4.32 -0.45 -2.50 117.00 119.94 2qbi n LEU 83 Ca 0.05 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.12 2qbi n LEU 83 Cb 0.43 0.00 0.55 0.00 -1.62 0.00 0.00 43.42 42.78 2qbi n LEU 83 CO 0.06 0.20 0.89 -0.08 -1.22 0.00 0.00 177.39 177.25 2qbi h GLU 84 N 0.00 0.00 0.00 3.23 4.57 -0.28 0.75 114.58 122.85 2qbi h GLU 84 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2qbi h GLU 84 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2qbi h GLU 84 CO 0.00 0.20 0.00 1.63 -1.18 0.00 0.00 179.01 179.66 2qbi n LYS 85 N -4.05 0.20 -1.32 1.92 4.76 -1.17 -4.87 118.16 113.64 2qbi n LYS 85 Ca -0.02 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2qbi n LYS 85 Cb 0.27 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2qbi n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbi n GLY 86 N 1.07 0.40 3.90 0.72 0.00 0.26 -5.04 105.19 106.49 2qbi n GLY 86 Ca 0.10 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2qbi n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qbi s ILE 87 N -2.00 5.38 0.08 -0.61 -1.09 -1.04 -4.97 121.20 116.95 2qbi s ILE 87 Ca 0.00 -0.02 -0.27 0.00 -2.23 0.00 0.00 60.65 58.13 2qbi s ILE 87 Cb 0.00 -3.55 0.08 0.00 -1.58 0.00 0.00 42.46 37.41 2qbi s ILE 87 CO 0.00 0.34 0.91 -0.75 -1.23 0.00 0.00 174.94 174.20 2qbi s LYS 88 N -1.88 1.04 -0.27 2.79 2.20 -1.26 -3.94 119.74 118.43 2qbi s LYS 88 Ca 0.28 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.39 2qbi s LYS 88 Cb -0.13 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 2qbi s LYS 88 CO 0.18 -0.47 0.01 -0.25 -0.36 0.00 0.00 175.35 174.46 2qbi n ASP 89 N -0.36 -6.95 -0.70 1.43 10.43 -1.16 -4.89 116.55 114.35 2qbi n ASP 89 Ca -0.08 1.26 0.00 0.00 2.57 0.00 0.00 54.79 58.54 2qbi n ASP 89 Cb 0.61 -4.81 0.00 0.00 1.84 0.00 0.00 41.12 38.76 2qbi n ASP 89 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 2qbi n VAL 90 N 0.66 0.00 -4.39 2.53 0.24 -0.03 -4.91 118.33 112.44 2qbi n VAL 90 Ca -0.02 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.03 2qbi n VAL 90 Cb 0.03 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.31 2qbi n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2qbi s SER 91 N -0.37 4.07 -0.26 -1.34 0.01 -1.06 -4.53 113.70 110.22 2qbi s SER 91 Ca 0.00 -1.01 0.02 0.00 1.31 0.00 0.00 55.95 56.27 2qbi s SER 91 Cb 0.00 -0.50 0.06 0.00 0.21 0.00 0.00 66.02 65.80 2qbi s SER 91 CO 0.00 -0.19 -0.06 0.12 0.41 0.00 0.00 173.24 173.52 2qbi s PHE 92 N -2.52 2.82 -0.94 2.43 5.36 -1.26 -0.27 117.98 123.59 2qbi s PHE 92 Ca 0.34 -2.08 -0.16 0.00 -0.96 0.00 0.00 56.93 54.07 2qbi s PHE 92 Cb -0.01 -1.83 0.17 0.00 -0.34 0.00 0.00 43.02 41.02 2qbi s PHE 92 CO 0.18 -0.83 1.04 0.34 -1.46 0.00 0.00 175.22 174.49 2qbi s ASP 93 N 1.25 6.77 0.00 6.13 3.68 -1.26 -4.85 116.67 128.40 2qbi s ASP 93 Ca -0.05 -2.47 0.00 0.00 2.13 0.00 0.00 52.55 52.16 2qbi s ASP 93 Cb -0.19 -2.32 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 2qbi s ASP 93 CO -0.06 -0.81 0.67 -2.11 0.13 0.00 0.00 175.17 172.99 2qbi n ARG 94 N 5.32 0.00 -4.04 4.34 1.85 -1.26 -2.78 116.66 120.10 2qbi n ARG 94 Ca 0.22 0.20 -0.30 0.00 -1.00 0.00 0.00 57.85 56.97 2qbi n ARG 94 Cb 0.47 -1.52 -0.03 0.00 -1.05 0.00 0.00 32.46 30.33 2qbi n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbi n SER 95 N -1.17 -0.92 0.00 2.89 7.64 -1.26 -0.65 113.62 120.14 2qbi n SER 95 Ca 0.00 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.76 2qbi n SER 95 Cb 0.02 -2.54 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 2qbi n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbi n GLY 96 N -2.13 0.57 3.46 0.23 0.00 -1.26 -4.80 105.19 101.26 2qbi n GLY 96 Ca -0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2qbi n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qbi s PHE 97 N -2.58 3.12 -0.81 1.61 0.08 0.18 -4.87 117.98 114.70 2qbi s PHE 97 Ca 0.00 -0.45 -0.33 0.00 0.12 0.00 0.00 56.93 56.28 2qbi s PHE 97 Cb 0.00 -3.23 -0.20 0.00 -0.57 0.00 0.00 43.02 39.02 2qbi s PHE 97 CO 0.00 -0.86 2.39 0.94 -0.10 0.00 0.00 175.22 177.59 2qbi n GLN 98 N 5.87 0.00 -1.55 0.44 0.00 -1.26 -4.71 117.38 116.17 2qbi n GLN 98 Ca -0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.69 2qbi n GLN 98 Cb 0.46 -1.41 -0.07 0.00 0.00 0.00 0.00 30.24 29.23 2qbi n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qbi n TYR 99 N 9.08 1.17 0.00 3.69 4.19 -1.26 -3.70 117.16 130.34 2qbi n TYR 99 Ca 0.59 0.06 0.00 0.00 3.31 0.00 0.00 57.90 61.86 2qbi n TYR 99 Cb 0.01 -2.49 0.00 0.00 0.49 0.00 0.00 39.34 37.35 2qbi n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qbi n HIS 100 N 16.38 0.00 0.00 2.98 -0.00 -1.26 -4.85 115.22 128.47 2qbi n HIS 100 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2qbi n HIS 100 Cb 0.44 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.31 2qbi n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qbi n GLY 101 N -0.71 1.61 0.08 1.57 0.00 -1.24 -4.42 105.19 102.07 2qbi n GLY 101 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2qbi n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qbi h ARG 102 N 0.00 0.00 0.00 1.61 3.08 -1.91 -3.07 114.38 114.08 2qbi h ARG 102 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qbi h ARG 102 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2qbi h ARG 102 CO 0.00 0.88 0.00 0.28 -1.07 0.00 0.00 179.97 180.06 2qbi h VAL 103 N 0.00 0.00 0.47 2.04 2.07 -1.88 -2.96 116.25 116.00 2qbi h VAL 103 Ca -0.01 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2qbi h VAL 103 Cb 1.67 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2qbi h VAL 103 CO 0.11 0.00 -0.23 -0.61 0.02 0.00 0.00 177.57 176.87 2qbi h GLN 104 N 0.00 -0.61 -7.45 1.57 -0.00 -1.75 -3.32 115.11 103.56 2qbi h GLN 104 Ca 0.00 0.04 -0.42 0.00 -0.00 0.00 0.00 58.65 58.27 2qbi h GLN 104 Cb 0.69 0.14 0.19 0.00 0.00 0.00 0.00 27.48 28.50 2qbi h GLN 104 CO 0.00 -0.37 0.17 0.00 0.00 0.00 0.00 178.83 178.63 2qbi s ALA 105 N -5.79 0.79 0.00 3.38 0.00 -1.12 -2.81 121.76 116.22 2qbi s ALA 105 Ca -0.16 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2qbi s ALA 105 Cb 0.04 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2qbi s ALA 105 CO 0.61 -3.47 0.00 1.47 0.00 0.00 0.00 175.76 174.37 2qbi n LEU 106 N -4.65 0.00 0.00 0.00 -0.00 -1.20 -4.45 117.00 106.70 2qbi n LEU 106 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.15 2qbi n LEU 106 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 2qbi n LEU 106 CO 0.45 0.00 0.13 0.00 -0.00 0.00 0.00 177.39 177.97 2qbi n ALA 107 N 0.00 -0.11 0.25 1.47 0.00 -1.20 0.02 120.51 120.94 2qbi n ALA 107 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2qbi n ALA 107 Cb 0.00 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.32 2qbi n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qbi h ASP 108 N 0.00 0.00 0.30 0.00 -0.00 -1.74 0.31 116.42 115.29 2qbi h ASP 108 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 2qbi h ASP 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2qbi h ASP 108 CO 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 179.24 179.09 2qbi h ALA 109 N 2.00 -0.41 -0.81 4.15 0.00 -1.81 0.29 119.26 122.67 2qbi h ALA 109 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qbi h ALA 109 Cb 0.01 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2qbi h ALA 109 CO 0.00 -0.40 0.50 0.00 0.00 0.00 0.00 179.25 179.34 2qbi h ALA 110 N -0.90 1.34 0.15 0.00 0.00 0.55 1.30 119.26 121.69 2qbi h ALA 110 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qbi h ALA 110 Cb 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qbi h ALA 110 CO 0.07 0.57 -0.07 -0.09 0.00 0.00 0.00 179.25 179.73 2qbi h ARG 111 N 1.12 -0.20 0.00 0.00 2.43 -0.47 -0.97 114.38 116.29 2qbi h ARG 111 Ca 0.29 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2qbi h ARG 111 Cb -0.06 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2qbi h ARG 111 CO -0.06 -0.13 -0.31 1.49 -1.51 0.00 0.00 179.97 179.45 2qbi h GLU 112 N -0.21 0.00 -0.04 0.20 4.22 0.32 -2.50 114.58 116.57 2qbi h GLU 112 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2qbi h GLU 112 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2qbi h GLU 112 CO 0.03 0.31 0.00 0.00 -2.18 0.00 0.00 179.01 177.17 2qbi n ALA 113 N -2.35 2.24 0.00 2.92 0.00 0.44 -4.81 120.51 118.95 2qbi n ALA 113 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qbi n ALA 113 Cb 0.41 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2qbi n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 114 N 0.24 3.09 3.23 0.00 0.00 -0.95 -4.74 105.19 106.06 2qbi n GLY 114 Ca 0.00 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 2qbi n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbi n LEU 115 N 0.00 -3.10 -4.10 0.99 7.99 -0.46 -4.95 117.00 113.36 2qbi n LEU 115 Ca 0.00 0.44 -0.33 0.00 -0.01 0.00 0.00 56.01 56.11 2qbi n LEU 115 Cb 0.00 -0.94 -0.15 0.00 -0.11 0.00 0.00 43.42 42.22 2qbi n LEU 115 CO 0.00 -4.73 -0.44 -1.58 -1.51 0.00 0.00 177.39 169.13 2qbi s GLN 116 N -2.05 2.35 0.00 3.23 2.00 -1.26 -4.55 119.66 119.38 2qbi s GLN 116 Ca 0.53 -1.28 0.00 0.00 -2.00 0.00 0.00 55.36 52.60 2qbi s GLN 116 Cb -0.32 -2.95 0.00 0.00 0.80 0.00 0.00 33.01 30.55 2qbi s GLN 116 CO 0.70 -0.56 0.00 1.97 -0.50 0.00 0.00 175.29 176.91