#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi h GLN 2 N 0.00 0.00 -3.67 2.12 4.20 -1.80 0.53 115.11 116.49 2qbi h GLN 2 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qbi h GLN 2 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2qbi h GLN 2 CO 0.00 0.00 -0.81 1.33 -0.67 0.00 0.00 178.83 178.68 2qbi n VAL 3 N -2.91 -4.43 -2.80 -0.54 0.24 -1.26 -3.91 118.33 102.71 2qbi n VAL 3 Ca -0.01 2.05 -0.37 0.00 -2.04 0.00 0.00 64.34 63.96 2qbi n VAL 3 Cb 0.04 -2.86 -0.06 0.00 -1.47 0.00 0.00 33.84 29.49 2qbi n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qbi s ILE 4 N -3.65 4.22 0.00 1.34 1.09 0.12 -2.73 121.20 121.59 2qbi s ILE 4 Ca 0.00 1.83 0.00 0.00 -1.10 0.00 0.00 60.65 61.38 2qbi s ILE 4 Cb 0.00 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 2qbi s ILE 4 CO 0.00 0.21 0.00 0.18 -0.10 0.00 0.00 174.94 175.23 2qbi n LEU 5 N 0.73 0.00 0.00 2.97 4.77 -0.50 0.92 117.00 125.89 2qbi n LEU 5 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qbi n LEU 5 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2qbi n LEU 5 CO 0.45 0.00 0.00 -0.11 -1.33 0.00 0.00 177.39 176.40 2qbi n LEU 6 N 0.00 0.00 0.00 2.23 7.94 -1.20 -3.83 117.00 122.14 2qbi n LEU 6 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2qbi n LEU 6 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2qbi n LEU 6 CO 0.00 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.61 2qbi n ASP 7 N 0.00 0.97 0.00 1.96 2.03 -1.26 -4.53 116.55 115.72 2qbi n ASP 7 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2qbi n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qbi n ASP 7 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2qbi n LYS 8 N 0.00 0.00 -1.76 -0.67 4.81 -1.26 -0.15 118.16 119.13 2qbi n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2qbi n LYS 8 Cb 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 34.80 2qbi n LYS 8 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2qbi n VAL 9 N 0.00-10.50 0.00 3.15 0.31 -1.26 -3.24 118.33 106.78 2qbi n VAL 9 Ca 0.00 2.46 0.00 0.00 -0.01 0.00 0.00 64.34 66.79 2qbi n VAL 9 Cb 0.00 -4.84 0.00 0.00 -0.91 0.00 0.00 33.84 28.09 2qbi n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbi n ALA 10 N 1.38 0.00 0.00 3.52 0.00 -1.26 -1.31 120.51 122.83 2qbi n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbi n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qbi n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbi n ASN 11 N 0.00 0.00 -0.63 0.00 4.13 -1.26 -1.56 115.26 115.94 2qbi n ASN 11 Ca 0.00 -0.29 -0.02 0.00 1.68 0.00 0.00 54.58 55.95 2qbi n ASN 11 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 2qbi n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbi n LEU 12 N 1.28 -0.32 -4.92 3.41 -0.00 -1.25 -5.16 117.00 110.04 2qbi n LEU 12 Ca 0.00 -0.67 -0.20 0.00 -0.00 0.00 0.00 56.01 55.14 2qbi n LEU 12 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2qbi n LEU 12 CO 0.00 0.83 0.05 -0.83 -0.00 0.00 0.00 177.39 177.45 2qbi s GLY 13 N -0.32 2.09 0.00 1.47 0.00 -0.43 -4.93 107.32 105.20 2qbi s GLY 13 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.90 2qbi s GLY 13 CO 0.00 -1.66 0.00 -1.26 0.00 0.00 0.00 173.10 170.18 2qbi n SER 14 N -1.66 0.00 -3.69 1.64 2.88 -1.20 -4.99 113.62 106.59 2qbi n SER 14 Ca 0.05 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.31 2qbi n SER 14 Cb 0.61 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.11 2qbi n SER 14 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qbi n LEU 15 N 0.00 -2.98 0.00 2.46 -0.00 0.79 -4.56 117.00 112.71 2qbi n LEU 15 Ca 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 56.01 55.04 2qbi n LEU 15 Cb 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 43.42 40.96 2qbi n LEU 15 CO 0.00 0.43 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 2qbi n GLY 16 N -1.68 0.45 3.51 -3.96 0.00 -1.26 -4.72 105.19 97.53 2qbi n GLY 16 Ca -0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 2qbi n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbi s ASP 17 N 0.00 -0.92 -0.88 1.61 1.11 -1.26 -4.78 116.67 111.54 2qbi s ASP 17 Ca 0.00 1.37 -0.25 0.00 0.18 0.00 0.00 52.55 53.85 2qbi s ASP 17 Cb 0.00 2.05 -0.01 0.00 1.07 0.00 0.00 42.92 46.03 2qbi s ASP 17 CO 0.00 -0.23 1.73 -1.58 1.18 0.00 0.00 175.17 176.28 2qbi s GLN 18 N 2.82 2.92 -0.10 8.23 0.74 -1.26 -1.41 119.66 131.61 2qbi s GLN 18 Ca -0.03 -0.40 0.04 0.00 0.05 0.00 0.00 55.36 55.02 2qbi s GLN 18 Cb -0.12 -4.98 -0.01 0.00 1.10 0.00 0.00 33.01 29.00 2qbi s GLN 18 CO -0.18 -2.84 -0.22 0.14 -0.55 0.00 0.00 175.29 171.65 2qbi s VAL 19 N 8.08 2.30 0.32 1.34 -7.23 -1.11 -4.88 120.40 119.23 2qbi s VAL 19 Ca 0.60 -0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 2qbi s VAL 19 Cb -0.06 -1.89 -0.11 0.00 0.56 0.00 0.00 36.38 34.89 2qbi s VAL 19 CO 0.01 0.56 1.41 0.21 -0.31 0.00 0.00 175.10 176.98 2qbi s ASN 20 N 0.20 6.59 -0.05 4.85 3.84 -1.26 -4.28 114.94 124.84 2qbi s ASN 20 Ca -0.13 2.81 -0.30 0.00 0.21 0.00 0.00 52.86 55.45 2qbi s ASN 20 Cb -0.16 -2.65 0.08 0.00 -0.55 0.00 0.00 41.25 37.97 2qbi s ASN 20 CO 0.07 -0.70 0.74 0.54 -2.79 0.00 0.00 177.10 174.96 2qbi s VAL 21 N -0.77 0.00 0.47 -5.21 0.11 0.18 -4.89 120.40 110.29 2qbi s VAL 21 Ca 0.54 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.37 2qbi s VAL 21 Cb -0.43 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.32 2qbi s VAL 21 CO 0.53 0.00 0.77 0.29 -3.33 0.00 0.00 175.10 173.36 2qbi n LYS 22 N 0.68 0.89 0.17 1.54 5.02 -1.26 -4.37 118.16 120.83 2qbi n LYS 22 Ca -0.17 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.58 2qbi n LYS 22 Cb 0.58 -1.82 0.56 0.00 -0.02 0.00 0.00 35.03 34.33 2qbi n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbi h ALA 23 N 0.93 1.00 -0.02 7.82 0.00 -1.89 -2.80 119.26 124.30 2qbi h ALA 23 Ca -0.44 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2qbi h ALA 23 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qbi h ALA 23 CO 0.53 0.00 -0.28 0.78 0.00 0.00 0.00 179.25 180.28 2qbi h GLY 24 N 2.08 0.26 2.00 0.00 0.00 -1.96 -2.63 103.07 102.81 2qbi h GLY 24 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2qbi h GLY 24 CO 0.00 0.36 0.00 2.98 0.00 0.00 0.00 176.54 179.88 2qbi n TYR 25 N -4.48 0.18 -4.01 5.60 9.36 -1.07 -3.95 117.16 118.78 2qbi n TYR 25 Ca -0.09 0.09 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 2qbi n TYR 25 Cb 0.50 -0.64 -0.06 0.00 -0.63 0.00 0.00 39.34 38.51 2qbi n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qbi s ALA 26 N -3.12 3.66 -0.59 2.98 0.00 -0.99 -1.02 121.76 122.67 2qbi s ALA 26 Ca 0.01 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2qbi s ALA 26 Cb 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2qbi s ALA 26 CO 0.11 -0.15 0.00 0.54 0.00 0.00 0.00 175.76 176.26 2qbi n ARG 27 N -1.28 -2.08 0.00 0.00 5.12 -1.26 -4.36 116.66 112.80 2qbi n ARG 27 Ca -0.00 0.33 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 2qbi n ARG 27 Cb 0.63 -4.73 0.00 0.00 -1.16 0.00 0.00 32.46 27.20 2qbi n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qbi n ASN 28 N -0.97 0.00 0.04 0.55 5.03 -1.25 -4.93 115.26 113.72 2qbi n ASN 28 Ca -0.07 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.14 2qbi n ASN 28 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 2qbi n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qbi n PHE 29 N 0.00 -2.40 0.19 3.10 7.35 -1.25 -4.94 117.46 119.51 2qbi n PHE 29 Ca 0.00 0.27 0.18 0.00 -0.76 0.00 0.00 57.45 57.14 2qbi n PHE 29 Cb 0.06 0.99 0.81 0.00 0.35 0.00 0.00 39.48 41.69 2qbi n PHE 29 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2qbi h LEU 30 N 0.00 0.00 0.00 -2.13 3.38 -1.40 -3.38 115.31 111.78 2qbi h LEU 30 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qbi h LEU 30 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qbi h LEU 30 CO 0.00 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.05 2qbi n VAL 31 N -3.56 0.00 -1.36 1.22 0.31 -1.26 -0.22 118.33 113.45 2qbi n VAL 31 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2qbi n VAL 31 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 2qbi n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qbi n PRO 32 N 0.00 -0.35 0.00 5.55 -0.02 -1.26 -2.83 135.00 136.10 2qbi n PRO 32 Ca 0.00 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2qbi n PRO 32 Cb 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 2qbi n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qbi n GLN 33 N -0.33 0.00 0.00 -0.52 -0.06 -1.26 -4.56 117.38 110.65 2qbi n GLN 33 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2qbi n GLN 33 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2qbi n GLN 33 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qbi n GLY 34 N 0.00 0.76 0.00 1.69 0.00 -1.13 -5.07 105.19 101.45 2qbi n GLY 34 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2qbi n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbi n LYS 35 N 0.00 0.00 -3.97 1.61 4.76 -0.54 -4.82 118.16 115.21 2qbi n LYS 35 Ca 0.00 -0.15 0.03 0.00 -2.87 0.00 0.00 58.31 55.32 2qbi n LYS 35 Cb 0.00 -0.33 0.01 0.00 -1.84 0.00 0.00 35.03 32.87 2qbi n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbi s ALA 36 N 0.00 -2.47 -0.25 7.82 0.00 0.69 -3.24 121.76 124.30 2qbi s ALA 36 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 2qbi s ALA 36 Cb 0.00 0.86 0.07 0.00 0.00 0.00 0.00 23.12 24.05 2qbi s ALA 36 CO 0.00 -1.15 0.64 0.54 0.00 0.00 0.00 175.76 175.80 2qbi s VAL 37 N -2.05 -0.00 0.17 0.00 0.11 0.26 -4.74 120.40 114.15 2qbi s VAL 37 Ca 0.29 0.01 -0.32 0.00 -2.93 0.00 0.00 61.98 59.03 2qbi s VAL 37 Cb -0.00 -0.92 -0.17 0.00 -1.53 0.00 0.00 36.38 33.77 2qbi s VAL 37 CO -0.01 0.00 0.93 -2.65 -3.33 0.00 0.00 175.10 170.05 2qbi n PRO 38 N 3.58 0.64 -1.81 1.54 -0.02 -1.26 0.16 135.00 137.83 2qbi n PRO 38 Ca -0.18 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.12 2qbi n PRO 38 Cb 0.57 -1.56 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 2qbi n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qbi n ALA 39 N 0.88 6.38 -0.37 3.55 0.00 -1.26 -4.52 120.51 125.16 2qbi n ALA 39 Ca 0.16 -3.93 -0.15 0.00 0.00 0.00 0.00 53.44 49.52 2qbi n ALA 39 Cb 0.23 -3.19 0.11 0.00 0.00 0.00 0.00 19.45 16.60 2qbi n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qbi n THR 40 N 3.49 2.36 0.00 0.00 -2.24 -1.26 -4.82 114.28 111.81 2qbi n THR 40 Ca 0.59 -1.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2qbi n THR 40 Cb 0.31 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2qbi n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qbi n LYS 41 N -0.51 0.00 0.00 -0.78 4.01 -1.26 -4.50 118.16 115.11 2qbi n LYS 41 Ca 0.37 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 2qbi n LYS 41 Cb 1.22 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 35.57 2qbi n LYS 41 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2qbi n LYS 42 N 0.00 0.00 0.00 1.97 5.02 -1.26 0.11 118.16 124.00 2qbi n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2qbi n LYS 42 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2qbi n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qbi n ASN 43 N -0.87 0.91 0.00 4.39 3.02 -1.26 -4.27 115.26 117.18 2qbi n ASN 43 Ca 0.00 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2qbi n ASN 43 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2qbi n ASN 43 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2qbi n ILE 44 N -0.09 0.00 0.00 2.41 -5.35 0.31 -4.34 119.36 112.29 2qbi n ILE 44 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2qbi n ILE 44 Cb 0.13 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.03 2qbi n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2qbi n GLU 45 N -1.67 0.00 0.00 6.28 1.02 -0.09 0.02 120.64 126.21 2qbi n GLU 45 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 2qbi n GLU 45 Cb 0.00 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2qbi n GLU 45 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qbi n PHE 46 N -1.17 0.00 -0.48 -0.32 -0.00 -0.79 -4.74 117.46 109.97 2qbi n PHE 46 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.30 2qbi n PHE 46 Cb 0.07 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 39.68 2qbi n PHE 46 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2qbi n PHE 47 N -1.95 2.03 0.06 -5.13 -0.00 -0.55 -4.36 117.46 107.56 2qbi n PHE 47 Ca 0.00 -1.38 -0.06 0.00 -0.00 0.00 0.00 57.45 56.01 2qbi n PHE 47 Cb 0.31 -0.71 0.11 0.00 -0.00 0.00 0.00 39.48 39.20 2qbi n PHE 47 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2qbi h GLU 48 N 0.71 0.35 -0.09 -4.13 9.09 -0.68 -2.89 114.58 116.93 2qbi h GLU 48 Ca 0.42 -0.22 0.03 0.00 0.05 0.00 0.00 59.36 59.63 2qbi h GLU 48 Cb 2.23 0.03 -0.00 0.00 -1.65 0.00 0.00 28.75 29.35 2qbi h GLU 48 CO 0.73 0.81 0.43 0.00 0.05 0.00 0.00 179.01 181.03 2qbi h ALA 49 N 1.14 1.57 0.03 1.06 0.00 -1.85 0.24 119.26 121.44 2qbi h ALA 49 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbi h ALA 49 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qbi h ALA 49 CO 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 179.25 178.85 2qbi h ARG 50 N 0.00 -0.04 -0.96 0.00 -0.00 -1.86 1.22 114.38 112.74 2qbi h ARG 50 Ca 0.04 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.44 2qbi h ARG 50 Cb 0.90 0.01 -0.05 0.00 0.00 0.00 0.00 29.97 30.83 2qbi h ARG 50 CO -0.00 0.15 0.11 0.54 0.00 0.00 0.00 179.97 180.78 2qbi n ARG 51 N -5.02 1.57 0.00 0.04 1.74 0.81 -3.15 116.66 112.66 2qbi n ARG 51 Ca -0.08 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 2qbi n ARG 51 Cb 0.12 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 2qbi n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbi n ALA 52 N 0.10 0.00 -1.43 7.54 0.00 -0.76 -4.71 120.51 121.24 2qbi n ALA 52 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.30 2qbi n ALA 52 Cb 0.71 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.12 2qbi n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qbi n GLU 53 N 0.00 2.35 0.00 0.00 2.13 0.41 -1.22 120.64 124.31 2qbi n GLU 53 Ca 0.00 -2.33 0.00 0.00 0.66 0.00 0.00 57.16 55.49 2qbi n GLU 53 Cb 0.00 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 29.62 2qbi n GLU 53 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2qbi n LEU 54 N 0.69 0.00 -0.30 4.31 -0.00 -1.26 -4.86 117.00 115.58 2qbi n LEU 54 Ca 0.47 0.00 0.25 0.00 -0.00 0.00 0.00 56.01 56.73 2qbi n LEU 54 Cb 0.54 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.42 2qbi n LEU 54 CO 0.36 0.00 0.90 1.21 -0.00 0.00 0.00 177.39 179.85 2qbi n GLU 55 N 0.00 -0.06 0.22 1.47 0.00 -1.26 0.35 120.64 121.36 2qbi n GLU 55 Ca 0.00 1.29 -0.09 0.00 0.00 0.00 0.00 57.16 58.36 2qbi n GLU 55 Cb 0.00 -2.24 -0.04 0.00 0.00 0.00 0.00 31.44 29.16 2qbi n GLU 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbi h ALA 56 N 1.82 -0.71 -0.06 4.31 0.00 -1.85 -3.36 119.26 119.42 2qbi h ALA 56 Ca 0.71 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 55.28 2qbi h ALA 56 Cb 1.79 0.23 0.01 0.00 0.00 0.00 0.00 17.79 19.82 2qbi h ALA 56 CO -0.75 -0.66 -0.80 1.57 0.00 0.00 0.00 179.25 178.61 2qbi h LYS 57 N -0.96 0.65 -2.48 0.00 5.09 0.41 -3.30 116.57 115.98 2qbi h LYS 57 Ca -0.06 -0.62 -0.18 0.00 0.09 0.00 0.00 60.65 59.89 2qbi h LYS 57 Cb 0.46 0.16 -0.04 0.00 0.10 0.00 0.00 32.23 32.91 2qbi h LYS 57 CO 0.10 1.22 0.37 -0.11 -2.09 0.00 0.00 179.45 178.94 2qbi n LEU 58 N -4.01 3.89 0.00 7.07 7.94 1.10 -2.71 117.00 130.29 2qbi n LEU 58 Ca -0.09 -2.45 0.00 0.00 -1.11 0.00 0.00 56.01 52.35 2qbi n LEU 58 Cb 0.76 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.71 2qbi n LEU 58 CO 0.52 0.98 0.02 0.00 -1.11 0.00 0.00 177.39 177.80 2qbi n ALA 59 N 2.87 0.82 0.00 1.96 0.00 -1.24 -4.70 120.51 120.22 2qbi n ALA 59 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2qbi n ALA 59 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2qbi n ALA 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbi n GLU 60 N -0.33 0.02 0.00 0.00 -0.00 -1.10 -4.87 120.64 114.35 2qbi n GLU 60 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.30 2qbi n GLU 60 Cb 0.02 -0.04 0.62 0.00 -0.00 0.00 0.00 31.44 32.04 2qbi n GLU 60 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2qbi n VAL 61 N -0.48 0.00 -0.03 3.84 3.14 -1.12 -4.11 118.33 119.56 2qbi n VAL 61 Ca 0.00 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 2qbi n VAL 61 Cb 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 2qbi n VAL 61 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbi n LEU 62 N -0.97 3.31 -4.65 6.55 -0.00 -1.26 -4.91 117.00 115.07 2qbi n LEU 62 Ca 0.14 -1.52 -0.54 0.00 -0.00 0.00 0.00 56.01 54.09 2qbi n LEU 62 Cb 0.27 -0.67 -0.06 0.00 -0.00 0.00 0.00 43.42 42.96 2qbi n LEU 62 CO 0.24 0.61 1.11 0.00 -0.00 0.00 0.00 177.39 179.35 2qbi n ALA 63 N 1.33 -0.45 0.00 1.47 0.00 -1.26 -4.54 120.51 117.06 2qbi n ALA 63 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2qbi n ALA 63 Cb 0.36 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2qbi n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 64 N 3.89 0.00 0.91 0.00 0.00 -1.26 -4.94 120.51 119.11 2qbi n ALA 64 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.78 2qbi n ALA 64 Cb 0.18 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.85 2qbi n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 65 N 0.00 3.46 0.32 0.00 0.00 -1.26 -3.95 120.51 119.08 2qbi n ALA 65 Ca 0.00 -0.34 0.20 0.00 0.00 0.00 0.00 53.44 53.30 2qbi n ALA 65 Cb 0.00 -1.12 1.09 0.00 0.00 0.00 0.00 19.45 19.42 2qbi n ALA 65 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2qbi h ASN 66 N 0.00 0.00 -0.32 0.00 -0.00 -1.92 0.43 115.58 113.76 2qbi h ASN 66 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 2qbi h ASN 66 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.85 2qbi h ASN 66 CO 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 177.43 177.44 2qbi n ALA 67 N -2.12 3.28 -0.19 4.14 0.00 -1.25 -4.62 120.51 119.74 2qbi n ALA 67 Ca -0.02 -2.35 -0.08 0.00 0.00 0.00 0.00 53.44 50.99 2qbi n ALA 67 Cb 0.13 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 18.82 2qbi n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h ARG 68 N 2.00 0.82 -0.86 0.00 2.47 -1.13 0.32 114.38 118.00 2qbi h ARG 68 Ca 0.03 -0.16 0.06 0.00 -1.26 0.00 0.00 59.98 58.65 2qbi h ARG 68 Cb 1.57 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.70 2qbi h ARG 68 CO 0.29 0.73 0.53 0.00 0.56 0.00 0.00 179.97 182.09 2qbi h ALA 69 N 1.05 1.17 -0.01 0.04 0.00 -1.78 -0.74 119.26 118.99 2qbi h ALA 69 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qbi h ALA 69 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qbi h ALA 69 CO -0.01 0.29 -0.19 -0.85 0.00 0.00 0.00 179.25 178.49 2qbi n GLU 70 N -4.61 1.10 0.03 0.00 0.00 -1.07 -3.90 120.64 112.19 2qbi n GLU 70 Ca 0.12 -0.67 0.04 0.00 0.00 0.00 0.00 57.16 56.66 2qbi n GLU 70 Cb 0.17 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.04 2qbi n GLU 70 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2qbi n LYS 71 N -0.37 0.63 -3.96 3.44 3.00 0.11 -4.79 118.16 116.22 2qbi n LYS 71 Ca 0.14 0.11 -0.34 0.00 -0.00 0.00 0.00 58.31 58.22 2qbi n LYS 71 Cb 0.36 -1.74 -0.14 0.00 0.00 0.00 0.00 35.03 33.51 2qbi n LYS 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2qbi s ILE 72 N -3.11 2.65 0.00 3.15 2.07 -0.60 -4.73 121.20 120.64 2qbi s ILE 72 Ca -0.04 -1.66 0.00 0.00 -1.41 0.00 0.00 60.65 57.54 2qbi s ILE 72 Cb 0.10 -2.62 0.00 0.00 0.13 0.00 0.00 42.46 40.06 2qbi s ILE 72 CO 0.82 -0.20 0.00 -0.46 -1.91 0.00 0.00 174.94 173.19 2qbi n ASN 73 N 4.51 0.00 -3.43 4.50 2.04 -1.26 -4.15 115.26 117.47 2qbi n ASN 73 Ca -0.10 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.70 2qbi n ASN 73 Cb 0.43 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.64 2qbi n ASN 73 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qbi n ALA 74 N -0.71 4.49 -2.86 -2.53 0.00 -1.26 -4.83 120.51 112.80 2qbi n ALA 74 Ca 0.00 -2.87 -0.41 0.00 0.00 0.00 0.00 53.44 50.16 2qbi n ALA 74 Cb 0.00 -3.35 -0.11 0.00 0.00 0.00 0.00 19.45 16.00 2qbi n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbi s LEU 75 N 0.78 4.91 -0.27 0.00 1.43 -1.26 -5.04 118.68 119.23 2qbi s LEU 75 Ca 0.50 -1.10 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 2qbi s LEU 75 Cb 0.13 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2qbi s LEU 75 CO 0.02 -0.44 1.91 -1.61 0.23 0.00 0.00 176.35 176.46 2qbi s GLU 76 N 1.55 3.36 -0.33 1.70 8.01 -1.26 -3.97 118.70 127.76 2qbi s GLU 76 Ca 0.03 1.69 -0.03 0.00 0.01 0.00 0.00 54.97 56.67 2qbi s GLU 76 Cb -0.20 -4.23 0.00 0.00 -4.31 0.00 0.00 34.13 25.39 2qbi s GLU 76 CO 0.06 -1.83 0.26 2.41 0.01 0.00 0.00 175.26 176.18 2qbi n THR 77 N 7.34 -1.42 -3.12 3.63 -1.04 -1.26 -4.85 114.28 113.55 2qbi n THR 77 Ca 0.24 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.85 2qbi n THR 77 Cb 0.46 -1.28 -0.07 0.00 -1.82 0.00 0.00 70.33 67.63 2qbi n THR 77 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2qbi s VAL 78 N -2.15 4.95 -0.32 12.58 1.01 -1.25 -5.00 120.40 130.22 2qbi s VAL 78 Ca 0.03 0.88 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2qbi s VAL 78 Cb -0.00 -3.98 0.16 0.00 0.00 0.00 0.00 36.38 32.56 2qbi s VAL 78 CO 0.39 -0.10 0.41 0.42 0.00 0.00 0.00 175.10 176.21 2qbi s THR 79 N 2.57 -0.56 0.09 3.92 -4.23 -1.25 -3.71 115.64 112.47 2qbi s THR 79 Ca 0.25 -0.47 -0.31 0.00 -1.18 0.00 0.00 61.69 59.98 2qbi s THR 79 Cb -0.15 -0.83 -0.06 0.00 1.34 0.00 0.00 72.50 72.80 2qbi s THR 79 CO 0.11 -0.36 1.24 -0.63 -0.54 0.00 0.00 174.62 174.44 2qbi s ILE 80 N 2.18 3.82 0.26 2.99 1.01 -1.25 -4.30 121.20 125.91 2qbi s ILE 80 Ca 0.12 1.33 -0.08 0.00 0.00 0.00 0.00 60.65 62.02 2qbi s ILE 80 Cb -0.13 -3.85 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2qbi s ILE 80 CO -0.22 0.12 0.57 0.00 0.00 0.00 0.00 174.94 175.41 2qbi s ALA 81 N 0.90 3.57 -0.20 9.38 0.00 -1.21 -2.36 121.76 131.83 2qbi s ALA 81 Ca 0.59 -0.36 0.16 0.00 0.00 0.00 0.00 51.96 52.35 2qbi s ALA 81 Cb -0.31 -2.41 0.45 0.00 0.00 0.00 0.00 23.12 20.85 2qbi s ALA 81 CO 0.30 0.38 1.18 0.45 0.00 0.00 0.00 175.76 178.07 2qbi n SER 82 N -0.48 2.47 -2.80 0.00 2.88 -1.26 -4.75 113.62 109.68 2qbi n SER 82 Ca -0.00 -3.02 -0.00 0.00 -1.33 0.00 0.00 58.87 54.52 2qbi n SER 82 Cb 0.53 -0.41 -0.00 0.00 -0.75 0.00 0.00 64.21 63.57 2qbi n SER 82 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbi n LYS 83 N -0.54 -3.00 -3.54 -1.46 4.76 -1.23 -1.75 118.16 111.40 2qbi n LYS 83 Ca 0.21 2.48 -0.37 0.00 -2.87 0.00 0.00 58.31 57.76 2qbi n LYS 83 Cb 0.89 -4.68 -0.06 0.00 -1.84 0.00 0.00 35.03 29.35 2qbi n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbi s ALA 84 N -1.52 3.67 0.00 7.82 0.00 -1.17 0.16 121.76 130.71 2qbi s ALA 84 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.63 2qbi s ALA 84 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2qbi s ALA 84 CO 0.66 0.34 0.00 0.41 0.00 0.00 0.00 175.76 177.17 2qbi n GLY 85 N 2.42 -0.56 2.59 0.00 0.00 0.33 -4.74 105.19 105.23 2qbi n GLY 85 Ca -0.13 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 2qbi n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qbi n ASP 86 N 0.00 -2.38 0.00 1.61 8.00 -1.26 0.18 116.55 122.70 2qbi n ASP 86 Ca 0.00 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.09 2qbi n ASP 86 Cb 0.00 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.58 2qbi n ASP 86 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2qbi n GLU 87 N -2.99 0.00 0.00 -1.24 4.07 -1.26 -3.86 120.64 115.36 2qbi n GLU 87 Ca -0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.93 2qbi n GLU 87 Cb 0.61 -3.56 0.00 0.00 -0.06 0.00 0.00 31.44 28.43 2qbi n GLU 87 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbi n GLY 88 N -2.00 0.00 0.00 8.31 0.00 -1.17 -5.16 105.19 105.17 2qbi n GLY 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbi n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbi n LYS 89 N 0.00 0.00 -4.32 1.61 4.76 0.48 -4.95 118.16 115.74 2qbi n LYS 89 Ca 0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.26 2qbi n LYS 89 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2qbi n LYS 89 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qbi s LEU 90 N 0.00 1.64 0.06 -0.35 1.02 -1.20 0.12 118.68 119.97 2qbi s LEU 90 Ca 0.00 -1.54 -0.02 0.00 0.02 0.00 0.00 54.13 52.59 2qbi s LEU 90 Cb 0.00 0.21 -0.01 0.00 0.02 0.00 0.00 46.19 46.41 2qbi s LEU 90 CO 0.00 -0.88 -0.04 0.49 0.02 0.00 0.00 176.35 175.94 2qbi n PHE 91 N -0.55 0.00 -2.20 0.29 3.01 0.41 -4.71 117.46 113.70 2qbi n PHE 91 Ca 0.01 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.20 2qbi n PHE 91 Cb 0.65 -0.06 0.15 0.00 -0.01 0.00 0.00 39.48 40.21 2qbi n PHE 91 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2qbi s GLY 92 N -4.19 1.77 0.30 1.37 0.00 -0.72 -5.02 107.32 100.83 2qbi s GLY 92 Ca -0.03 -1.41 0.11 0.00 0.00 0.00 0.00 44.72 43.39 2qbi s GLY 92 CO 0.05 -0.73 -0.17 -0.56 0.00 0.00 0.00 173.10 171.69 2qbi s SER 93 N -4.82 3.59 -0.17 1.64 0.01 -1.26 -4.76 113.70 107.94 2qbi s SER 93 Ca 0.70 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2qbi s SER 93 Cb -0.05 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.88 2qbi s SER 93 CO 0.49 -0.04 -0.18 -0.63 0.41 0.00 0.00 173.24 173.30 2qbi s ILE 94 N -2.55 2.34 0.00 1.44 -1.09 -1.26 -4.91 121.20 115.16 2qbi s ILE 94 Ca 0.30 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2qbi s ILE 94 Cb -0.03 -1.98 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 2qbi s ILE 94 CO 0.15 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 2qbi n GLY 95 N 4.33 5.44 0.11 6.18 0.00 -1.26 -4.35 105.19 115.64 2qbi n GLY 95 Ca -0.20 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 2qbi n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qbi h THR 96 N 0.00 1.04 -0.68 2.61 1.35 -1.99 -3.36 112.91 111.88 2qbi h THR 96 Ca 0.00 -2.72 0.13 0.00 -0.55 0.00 0.00 66.41 63.27 2qbi h THR 96 Cb 0.00 2.68 -0.04 0.00 -1.73 0.00 0.00 68.15 69.05 2qbi h THR 96 CO 0.00 0.79 0.46 -0.09 -0.25 0.00 0.00 175.52 176.43 2qbi h ARG 97 N 0.06 0.40 -0.19 4.72 2.43 -1.97 -1.47 114.38 118.36 2qbi h ARG 97 Ca -0.27 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.74 2qbi h ARG 97 Cb 2.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.46 2qbi h ARG 97 CO 0.14 0.27 -0.46 0.38 -1.51 0.00 0.00 179.97 178.79 2qbi h ASP 98 N 0.41 0.51 -0.65 -3.80 2.03 -1.99 -3.10 116.42 109.83 2qbi h ASP 98 Ca 0.33 -0.24 0.13 0.00 -0.73 0.00 0.00 57.03 56.52 2qbi h ASP 98 Cb 0.71 -0.14 -0.10 0.00 -0.83 0.00 0.00 39.33 38.97 2qbi h ASP 98 CO -0.10 0.89 0.12 0.40 -1.03 0.00 0.00 179.24 179.53 2qbi h ILE 99 N 0.38 0.57 -0.01 4.15 1.08 -1.42 0.25 117.51 122.50 2qbi h ILE 99 Ca 0.02 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2qbi h ILE 99 Cb 0.95 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2qbi h ILE 99 CO 0.08 0.04 -0.05 0.00 -0.69 0.00 0.00 178.15 177.53 2qbi n ALA 100 N -2.66 2.70 -0.05 1.87 0.00 -1.22 -3.67 120.51 117.47 2qbi n ALA 100 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 2qbi n ALA 100 Cb 0.37 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.38 2qbi n ALA 100 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qbi n ASP 101 N -0.49 0.21 -0.26 0.00 2.03 0.65 -3.95 116.55 114.74 2qbi n ASP 101 Ca 0.18 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2qbi n ASP 101 Cb 0.27 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.68 2qbi n ASP 101 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qbi n ALA 102 N -2.56 2.30 0.00 -1.67 0.00 0.05 -2.98 120.51 115.65 2qbi n ALA 102 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2qbi n ALA 102 Cb 0.96 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2qbi n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2qbi n VAL 103 N -0.20 0.00 -2.22 0.00 0.24 -1.26 -5.01 118.33 109.88 2qbi n VAL 103 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 2qbi n VAL 103 Cb 0.11 -0.58 -0.03 0.00 -1.47 0.00 0.00 33.84 31.87 2qbi n VAL 103 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2qbi s THR 104 N -1.59 3.66 0.00 3.34 -1.32 -1.16 -4.02 115.64 114.56 2qbi s THR 104 Ca 0.00 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 2qbi s THR 104 Cb 0.00 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 2qbi s THR 104 CO 0.00 -0.84 0.00 0.00 -2.21 0.00 0.00 174.62 171.57 2qbi n ALA 105 N 10.12 0.00 0.11 11.08 0.00 -1.25 -4.95 120.51 135.63 2qbi n ALA 105 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2qbi n ALA 105 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2qbi n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 106 N 0.00 2.79 0.00 0.00 0.00 -1.26 -4.67 120.51 117.37 2qbi n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbi n ALA 106 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2qbi n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 107 N 1.21 2.04 3.88 0.00 0.00 -1.26 -4.95 105.19 106.11 2qbi n GLY 107 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2qbi n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbi s VAL 108 N -0.65 4.20 -0.15 1.61 1.01 -1.26 -5.04 120.40 120.13 2qbi s VAL 108 Ca 0.00 0.56 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 2qbi s VAL 108 Cb 0.00 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.82 2qbi s VAL 108 CO 0.00 -0.86 1.08 -1.61 0.00 0.00 0.00 175.10 173.71 2qbi s GLU 109 N -5.17 0.49 0.32 2.72 2.02 -1.26 -3.38 118.70 114.45 2qbi s GLU 109 Ca 0.55 -0.05 0.05 0.00 0.02 0.00 0.00 54.97 55.54 2qbi s GLU 109 Cb -0.11 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.32 2qbi s GLU 109 CO 0.51 -0.19 0.21 0.14 0.02 0.00 0.00 175.26 175.96 2qbi s VAL 110 N -1.95 0.14 0.10 2.63 -7.23 -1.26 -5.02 120.40 107.81 2qbi s VAL 110 Ca 0.04 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 2qbi s VAL 110 Cb -0.01 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.48 2qbi s VAL 110 CO -0.04 0.00 0.10 0.00 -0.31 0.00 0.00 175.10 174.85 2qbi n ALA 111 N -0.60 -0.25 0.00 1.32 0.00 -1.26 -4.67 120.51 115.05 2qbi n ALA 111 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2qbi n ALA 111 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2qbi n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbi n LYS 112 N -1.63 0.00 0.00 0.00 2.85 -1.26 -3.73 118.16 114.38 2qbi n LYS 112 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2qbi n LYS 112 Cb 0.05 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 2qbi n LYS 112 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2qbi n SER 113 N -1.99 0.01 -4.13 -5.58 7.64 -1.26 -4.10 113.62 104.21 2qbi n SER 113 Ca 0.00 -0.39 -0.37 0.00 1.01 0.00 0.00 58.87 59.11 2qbi n SER 113 Cb 0.24 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 2qbi n SER 113 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2qbi s GLU 114 N -1.96 3.02 0.00 1.43 0.41 -1.26 -4.90 118.70 115.45 2qbi s GLU 114 Ca 0.00 -2.89 0.00 0.00 -0.41 0.00 0.00 54.97 51.67 2qbi s GLU 114 Cb 0.00 -3.92 0.00 0.00 -1.78 0.00 0.00 34.13 28.43 2qbi s GLU 114 CO 0.00 -1.23 0.00 1.33 -0.49 0.00 0.00 175.26 174.87 2qbi n VAL 115 N 2.98 0.00 -2.72 2.63 0.24 -1.25 -3.63 118.33 116.58 2qbi n VAL 115 Ca 0.15 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.38 2qbi n VAL 115 Cb 0.38 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 32.83 2qbi n VAL 115 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2qbi n ARG 116 N 0.00 0.70 -3.67 7.34 3.00 -1.25 -3.55 116.66 119.23 2qbi n ARG 116 Ca 0.00 -1.53 -0.30 0.00 -0.00 0.00 0.00 57.85 56.03 2qbi n ARG 116 Cb 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 32.46 31.38 2qbi n ARG 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbi s LEU 117 N -1.34 1.92 0.65 6.15 1.43 -1.26 -4.50 118.68 121.72 2qbi s LEU 117 Ca 0.25 -1.79 0.20 0.00 -1.03 0.00 0.00 54.13 51.77 2qbi s LEU 117 Cb 0.26 -0.76 1.04 0.00 0.03 0.00 0.00 46.19 46.76 2qbi s LEU 117 CO -0.14 -0.39 1.58 -0.65 0.23 0.00 0.00 176.35 176.98 2qbi h PRO 118 N 7.83 0.00 0.00 1.29 0.11 -1.98 -3.41 132.00 135.83 2qbi h PRO 118 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 2qbi h PRO 118 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2qbi h PRO 118 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 2qbi n ASN 119 N -2.89 0.00 -3.76 -2.05 4.13 -1.26 -5.16 115.26 104.27 2qbi n ASN 119 Ca 0.02 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.13 2qbi n ASN 119 Cb 0.70 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.79 2qbi n ASN 119 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2qbi s GLY 120 N 0.00 0.03 -0.47 7.41 0.00 -1.26 -5.09 107.32 107.94 2qbi s GLY 120 Ca 0.00 0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.93 2qbi s GLY 120 CO 0.00 0.82 2.40 -0.62 0.00 0.00 0.00 173.10 175.70 2qbi n VAL 121 N 4.16 -0.02 -0.18 1.40 0.31 -1.26 -4.94 118.33 117.80 2qbi n VAL 121 Ca -0.27 -0.72 -0.24 0.00 -0.01 0.00 0.00 64.34 63.10 2qbi n VAL 121 Cb 0.51 -2.66 0.23 0.00 -0.91 0.00 0.00 33.84 31.01 2qbi n VAL 121 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbi n LEU 122 N 15.08 0.00 -4.55 7.52 4.32 -1.26 -4.45 117.00 133.65 2qbi n LEU 122 Ca 0.37 -0.69 -0.40 0.00 -0.02 0.00 0.00 56.01 55.28 2qbi n LEU 122 Cb 0.51 -0.79 -0.03 0.00 -1.62 0.00 0.00 43.42 41.49 2qbi n LEU 122 CO 0.71 -2.57 1.30 -0.13 -1.22 0.00 0.00 177.39 175.48 2qbi s ARG 123 N -4.60 3.09 0.00 3.23 1.81 -1.26 -4.79 118.95 116.43 2qbi s ARG 123 Ca 0.52 -0.14 0.00 0.00 -1.72 0.00 0.00 55.73 54.39 2qbi s ARG 123 Cb -0.09 -4.36 0.00 0.00 -0.45 0.00 0.00 34.95 30.05 2qbi s ARG 123 CO 0.44 -2.31 0.00 2.41 -0.68 0.00 0.00 175.30 175.16 2qbi n THR 124 N 6.64 0.00 0.00 0.02 -1.04 -1.26 -4.73 114.28 113.92 2qbi n THR 124 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2qbi n THR 124 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2qbi n THR 124 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2qbi n THR 125 N 0.00 0.00 -0.24 12.58 5.66 -1.26 -4.64 114.28 126.38 2qbi n THR 125 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 2qbi n THR 125 Cb 0.00 0.00 0.15 0.00 -1.55 0.00 0.00 70.33 68.93 2qbi n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qbi n GLY 126 N 0.00 -2.92 3.62 1.09 0.00 -1.26 -3.54 105.19 102.18 2qbi n GLY 126 Ca 0.00 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.61 2qbi n GLY 126 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qbi n GLU 127 N -2.97 2.08 -3.59 1.61 0.00 -1.26 -4.61 120.64 111.90 2qbi n GLU 127 Ca 0.07 0.70 -0.40 0.00 0.00 0.00 0.00 57.16 57.53 2qbi n GLU 127 Cb 0.31 -2.83 -0.11 0.00 0.00 0.00 0.00 31.44 28.81 2qbi n GLU 127 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2qbi s HIS 128 N 5.75 3.22 -0.28 4.31 5.65 -0.80 -4.98 115.29 128.15 2qbi s HIS 128 Ca 0.97 -0.66 -0.05 0.00 0.25 0.00 0.00 55.06 55.56 2qbi s HIS 128 Cb -0.58 -2.43 0.01 0.00 -1.18 0.00 0.00 32.58 28.40 2qbi s HIS 128 CO 0.45 -0.53 0.04 -1.21 -0.65 0.00 0.00 174.74 172.84 2qbi s GLU 129 N 1.62 3.00 -0.50 2.88 8.01 -1.25 -1.71 118.70 130.74 2qbi s GLU 129 Ca 0.04 -0.90 0.06 0.00 0.01 0.00 0.00 54.97 54.18 2qbi s GLU 129 Cb -0.18 -3.26 0.38 0.00 -4.31 0.00 0.00 34.13 26.76 2qbi s GLU 129 CO 0.08 -0.44 1.00 1.33 0.01 0.00 0.00 175.26 177.24 2qbi n VAL 130 N 4.80 2.54 -0.32 2.63 0.24 0.06 -4.65 118.33 123.63 2qbi n VAL 130 Ca -0.15 -5.18 -0.10 0.00 -2.04 0.00 0.00 64.34 56.87 2qbi n VAL 130 Cb 0.48 -1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 31.61 2qbi n VAL 130 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qbi n SER 131 N -0.30 0.08 -3.45 -1.34 7.64 -1.26 -3.85 113.62 111.15 2qbi n SER 131 Ca 0.33 0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.89 2qbi n SER 131 Cb 0.52 -0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 2qbi n SER 131 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2qbi n PHE 132 N 2.22 0.00 -1.81 1.43 7.35 -1.25 -3.78 117.46 121.63 2qbi n PHE 132 Ca 0.14 -0.49 -0.31 0.00 -0.76 0.00 0.00 57.45 56.04 2qbi n PHE 132 Cb 0.00 -0.72 -0.04 0.00 0.35 0.00 0.00 39.48 39.07 2qbi n PHE 132 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2qbi s GLN 133 N 6.62 2.26 -0.05 -4.13 -0.44 -1.23 -4.08 119.66 118.60 2qbi s GLN 133 Ca 0.58 0.64 -0.15 0.00 -2.50 0.00 0.00 55.36 53.93 2qbi s GLN 133 Cb 0.13 -4.66 -0.09 0.00 -1.64 0.00 0.00 33.01 26.74 2qbi s GLN 133 CO 0.29 -3.36 0.60 -0.24 0.50 0.00 0.00 175.29 173.09 2qbi h VAL 134 N 7.35 0.26 -2.11 1.34 3.04 -1.71 -3.36 116.25 121.07 2qbi h VAL 134 Ca -0.13 -0.84 -0.58 0.00 -1.01 0.00 0.00 66.70 64.15 2qbi h VAL 134 Cb 1.13 0.44 -0.11 0.00 -2.01 0.00 0.00 31.29 30.75 2qbi h VAL 134 CO 1.16 0.07 -0.66 -1.00 -1.01 0.00 0.00 177.57 176.13 2qbi s HIS 135 N -3.05 2.56 -0.06 3.17 3.76 -1.21 -4.91 115.29 115.54 2qbi s HIS 135 Ca -0.08 -0.32 0.17 0.00 -0.15 0.00 0.00 55.06 54.68 2qbi s HIS 135 Cb 0.01 -1.25 0.91 0.00 1.11 0.00 0.00 32.58 33.35 2qbi s HIS 135 CO 0.27 0.59 1.45 0.43 -0.85 0.00 0.00 174.74 176.63 2qbi n SER 136 N -0.86 0.43 -0.11 1.40 7.64 -1.26 -2.35 113.62 118.52 2qbi n SER 136 Ca -0.05 0.64 -0.18 0.00 1.01 0.00 0.00 58.87 60.29 2qbi n SER 136 Cb 0.60 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 2qbi n SER 136 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2qbi n GLU 137 N -2.14 0.55 -2.95 1.43 4.07 -1.26 -5.00 120.64 115.34 2qbi n GLU 137 Ca -0.01 0.26 -0.35 0.00 -0.06 0.00 0.00 57.16 57.00 2qbi n GLU 137 Cb 0.21 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 30.04 2qbi n GLU 137 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qbi s VAL 138 N -2.68 4.45 0.00 6.31 -7.23 -0.99 -5.06 120.40 115.19 2qbi s VAL 138 Ca -0.32 1.42 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 2qbi s VAL 138 Cb 0.09 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.24 2qbi s VAL 138 CO 0.45 -0.02 0.00 0.49 -0.31 0.00 0.00 175.10 175.71 2qbi n PHE 139 N 0.13 0.00 -2.09 2.82 0.99 -1.26 -3.18 117.46 114.86 2qbi n PHE 139 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2qbi n PHE 139 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.00 2qbi n PHE 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2qbi n ALA 140 N -3.00 0.00 -3.68 4.37 0.00 -1.26 -3.32 120.51 113.62 2qbi n ALA 140 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2qbi n ALA 140 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2qbi n ALA 140 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qbi s LYS 141 N -2.00 0.07 -0.08 0.00 3.01 -1.26 -3.86 119.74 115.63 2qbi s LYS 141 Ca 0.00 0.57 0.03 0.00 -1.01 0.00 0.00 55.97 55.56 2qbi s LYS 141 Cb 0.00 -0.21 0.01 0.00 -1.01 0.00 0.00 37.83 36.63 2qbi s LYS 141 CO 0.00 -0.28 -0.15 0.08 0.51 0.00 0.00 175.35 175.51 2qbi s VAL 142 N 2.11 1.39 -0.08 3.17 1.01 -1.26 -4.64 120.40 122.09 2qbi s VAL 142 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2qbi s VAL 142 Cb -0.12 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2qbi s VAL 142 CO -0.06 0.41 -0.07 0.27 0.00 0.00 0.00 175.10 175.65 2qbi s ILE 143 N 0.66 3.69 0.04 2.22 -4.36 -1.25 -0.76 121.20 121.44 2qbi s ILE 143 Ca -0.14 -0.47 -0.00 0.00 -0.26 0.00 0.00 60.65 59.77 2qbi s ILE 143 Cb -0.16 -2.53 -0.03 0.00 1.25 0.00 0.00 42.46 40.99 2qbi s ILE 143 CO 0.04 0.58 -0.03 -0.69 0.24 0.00 0.00 174.94 175.08 2qbi s VAL 144 N -0.56 0.21 -0.29 8.37 1.01 -0.70 -3.90 120.40 124.54 2qbi s VAL 144 Ca 0.08 -1.51 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 2qbi s VAL 144 Cb -0.12 -1.10 0.13 0.00 0.00 0.00 0.00 36.38 35.30 2qbi s VAL 144 CO 0.02 -0.82 0.63 0.20 0.00 0.00 0.00 175.10 175.13 2qbi s ASN 145 N -2.42 -1.08 0.00 3.32 -0.87 -1.00 -1.90 114.94 111.00 2qbi s ASN 145 Ca -0.01 1.48 -0.31 0.00 -1.57 0.00 0.00 52.86 52.46 2qbi s ASN 145 Cb 0.02 2.21 -0.09 0.00 -0.02 0.00 0.00 41.25 43.36 2qbi s ASN 145 CO -0.07 -0.22 1.97 0.52 -2.57 0.00 0.00 177.10 176.73 2qbi n VAL 146 N 5.44 0.72 -4.51 1.60 0.31 -1.13 -3.35 118.33 117.40 2qbi n VAL 146 Ca -0.11 -0.15 -0.27 0.00 -0.01 0.00 0.00 64.34 63.80 2qbi n VAL 146 Cb 0.49 -2.25 -0.10 0.00 -0.91 0.00 0.00 33.84 31.07 2qbi n VAL 146 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qbi s VAL 147 N 4.59 2.12 0.06 2.52 1.01 -1.26 -4.78 120.40 124.66 2qbi s VAL 147 Ca 0.90 -1.98 0.09 0.00 0.00 0.00 0.00 61.98 61.00 2qbi s VAL 147 Cb -0.48 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2qbi s VAL 147 CO 0.44 -0.04 -0.24 0.00 0.00 0.00 0.00 175.10 175.26 2qbi s ALA 148 N -2.67 2.06 -2.00 5.51 0.00 -1.26 -3.04 121.76 120.36 2qbi s ALA 148 Ca 0.36 -1.23 0.14 0.00 0.00 0.00 0.00 51.96 51.23 2qbi s ALA 148 Cb 0.07 -0.39 0.86 0.00 0.00 0.00 0.00 23.12 23.67 2qbi s ALA 148 CO 0.19 0.47 1.28 -0.85 0.00 0.00 0.00 175.76 176.85