#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbi s VAL 2 N 0.00 4.84 0.51 2.53 1.01 -1.26 -0.67 120.40 127.36 1qbi s VAL 2 Ca 0.00 1.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.90 1qbi s VAL 2 Cb 0.00 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1qbi s VAL 2 CO 0.00 0.53 1.36 -2.84 0.00 0.00 0.00 175.10 174.15 1qbi s PRO 3 N -0.87 3.35 0.58 2.72 0.02 -1.26 -4.98 135.00 134.56 1qbi s PRO 3 Ca 0.28 2.25 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 1qbi s PRO 3 Cb -0.19 -2.39 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 1qbi s PRO 3 CO 0.17 -1.03 1.02 -0.51 -0.33 0.00 0.00 177.00 176.33 1qbi s LEU 4 N -3.25 3.43 0.66 -5.54 1.43 -1.26 -5.07 118.68 109.09 1qbi s LEU 4 Ca 0.68 1.60 -0.07 0.00 -1.03 0.00 0.00 54.13 55.31 1qbi s LEU 4 Cb -0.40 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.35 1qbi s LEU 4 CO 0.49 -0.90 0.98 0.42 0.23 0.00 0.00 176.35 177.57 1qbi s THR 5 N -2.78 2.86 0.40 5.49 -4.23 -1.26 -4.88 115.64 111.25 1qbi s THR 5 Ca 0.59 -0.12 0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1qbi s THR 5 Cb -0.12 -3.20 0.31 0.00 1.34 0.00 0.00 72.50 70.83 1qbi s THR 5 CO 0.41 -0.21 1.96 -0.65 -0.54 0.00 0.00 174.62 175.59 1qbi h PRO 6 N -0.44 0.56 -0.18 3.99 0.11 -1.93 -0.98 132.00 133.13 1qbi h PRO 6 Ca -0.45 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1qbi h PRO 6 Cb 1.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1qbi h PRO 6 CO 0.61 0.37 -0.38 1.03 -0.21 0.00 0.00 178.00 179.41 1qbi h SER 7 N 0.58 0.41 0.17 -2.05 0.87 -1.93 0.26 113.55 111.86 1qbi h SER 7 Ca 0.31 -0.17 -0.22 0.00 -1.23 0.00 0.00 61.79 60.48 1qbi h SER 7 Cb 0.43 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1qbi h SER 7 CO -0.10 0.76 -0.86 1.56 -0.53 0.00 0.00 176.83 177.66 1qbi h GLN 8 N 0.33 0.53 -0.25 2.24 4.20 -1.59 -2.81 115.11 117.76 1qbi h GLN 8 Ca 0.03 -0.50 -0.05 0.00 0.06 0.00 0.00 58.65 58.20 1qbi h GLN 8 Cb 0.83 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1qbi h GLN 8 CO 0.07 1.13 -0.05 0.74 -0.67 0.00 0.00 178.83 180.05 1qbi h PHE 9 N 0.33 0.53 -0.87 2.96 -1.00 -0.98 -3.22 116.94 114.68 1qbi h PHE 9 Ca -0.07 -0.11 0.09 0.00 2.81 0.00 0.00 57.97 60.70 1qbi h PHE 9 Cb 1.48 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 40.85 1qbi h PHE 9 CO 0.07 0.68 0.56 0.00 -1.61 0.00 0.00 178.31 178.01 1qbi h ALA 10 N 0.77 1.65 -0.00 2.45 0.00 -0.46 -2.53 119.26 121.14 1qbi h ALA 10 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1qbi h ALA 10 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qbi h ALA 10 CO 0.02 0.18 -0.07 0.36 0.00 0.00 0.00 179.25 179.75 1qbi n LYS 11 N -4.52 0.52 -1.69 0.00 2.85 -1.07 -4.42 118.16 109.84 1qbi n LYS 11 Ca 0.15 -0.10 -0.41 0.00 -1.05 0.00 0.00 58.31 56.89 1qbi n LYS 11 Cb 0.30 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.17 1qbi n LYS 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qbi n ALA 12 N -1.15 6.30 1.23 0.58 0.00 -0.95 -4.66 120.51 121.85 1qbi n ALA 12 Ca 0.14 -3.84 0.13 0.00 0.00 0.00 0.00 53.44 49.87 1qbi n ALA 12 Cb 0.26 -3.36 0.37 0.00 0.00 0.00 0.00 19.45 16.73 1qbi n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qbi n LYS 13 N 4.64 0.81 -3.76 0.00 4.76 -1.26 -0.14 118.16 123.22 1qbi n LYS 13 Ca 0.60 -0.48 -0.27 0.00 -2.87 0.00 0.00 58.31 55.29 1qbi n LYS 13 Cb 0.32 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.04 1qbi n LYS 13 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1qbi n SER 14 N -0.68 -2.92 0.00 4.39 7.64 -1.26 -4.56 113.62 116.23 1qbi n SER 14 Ca 0.12 -0.96 0.03 0.00 1.01 0.00 0.00 58.87 59.07 1qbi n SER 14 Cb 0.35 -3.47 0.20 0.00 -1.01 0.00 0.00 64.21 60.28 1qbi n SER 14 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qbi n GLU 15 N -4.24 0.25 -0.18 1.43 -0.58 -1.26 -1.47 120.64 114.59 1qbi n GLU 15 Ca -0.20 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.64 1qbi n GLU 15 Cb 0.64 -1.42 0.27 0.00 -0.57 0.00 0.00 31.44 30.36 1qbi n GLU 15 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1qbi n ASN 16 N -0.92 2.73 -4.15 1.62 6.94 -1.26 -4.88 115.26 115.34 1qbi n ASN 16 Ca 0.05 -1.91 -0.21 0.00 -0.02 0.00 0.00 54.58 52.49 1qbi n ASN 16 Cb 0.02 -0.24 -0.14 0.00 -2.36 0.00 0.00 39.78 37.07 1qbi n ASN 16 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1qbi s PHE 17 N -1.52 1.28 -0.07 -2.53 0.40 -0.54 -0.82 117.98 114.18 1qbi s PHE 17 Ca 0.36 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 56.18 1qbi s PHE 17 Cb 0.20 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.91 1qbi s PHE 17 CO 0.28 0.03 0.47 -0.51 0.70 0.00 0.00 175.22 176.19 1qbi s ASP 18 N -0.98 6.76 -0.20 1.36 1.01 0.30 -4.84 116.67 120.08 1qbi s ASP 18 Ca 0.03 0.90 -0.09 0.00 0.71 0.00 0.00 52.55 54.10 1qbi s ASP 18 Cb -0.07 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1qbi s ASP 18 CO 0.01 0.11 0.10 -0.75 0.21 0.00 0.00 175.17 174.85 1qbi s LYS 19 N 0.03 4.06 -0.11 8.23 2.20 -1.26 -0.18 119.74 132.71 1qbi s LYS 19 Ca 0.26 -0.29 -0.01 0.00 -0.36 0.00 0.00 55.97 55.56 1qbi s LYS 19 Cb -0.16 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1qbi s LYS 19 CO 0.12 0.24 -0.03 0.21 -0.36 0.00 0.00 175.35 175.53 1qbi s LYS 20 N 0.50 1.03 -0.38 4.03 2.20 0.57 -4.99 119.74 122.69 1qbi s LYS 20 Ca 0.06 -0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.26 1qbi s LYS 20 Cb -0.12 -1.39 0.02 0.00 -1.51 0.00 0.00 37.83 34.83 1qbi s LYS 20 CO 0.00 -0.33 1.03 0.08 -0.36 0.00 0.00 175.35 175.78 1qbi s VAL 21 N 1.83 4.45 -0.08 4.02 1.01 -1.26 -0.08 120.40 130.30 1qbi s VAL 21 Ca 0.04 1.37 -0.23 0.00 0.00 0.00 0.00 61.98 63.16 1qbi s VAL 21 Cb -0.13 -4.44 -0.30 0.00 0.00 0.00 0.00 36.38 31.51 1qbi s VAL 21 CO -0.07 -0.66 0.84 0.40 0.00 0.00 0.00 175.10 175.61 1qbi h ILE 22 N 5.91 1.56 -3.84 2.22 2.04 -1.13 -3.48 117.51 120.78 1qbi h ILE 22 Ca -0.22 -2.48 -0.15 0.00 1.00 0.00 0.00 64.86 63.01 1qbi h ILE 22 Cb 1.07 3.22 -0.20 0.00 -0.74 0.00 0.00 36.82 40.17 1qbi h ILE 22 CO 1.04 0.68 -0.61 -0.76 0.00 0.00 0.00 178.15 178.50 1qbi s LEU 23 N -7.95 2.00 0.17 1.44 1.43 -1.05 -4.80 118.68 109.92 1qbi s LEU 23 Ca -0.15 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1qbi s LEU 23 Cb 0.00 0.35 -0.04 0.00 0.03 0.00 0.00 46.19 46.53 1qbi s LEU 23 CO 0.79 -0.38 0.08 -0.44 0.23 0.00 0.00 176.35 176.63 1qbi s SER 24 N -1.68 0.41 -1.65 2.29 0.01 -1.26 -1.04 113.70 110.78 1qbi s SER 24 Ca -0.12 -1.28 -0.00 0.00 1.31 0.00 0.00 55.95 55.86 1qbi s SER 24 Cb -0.06 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1qbi s SER 24 CO -0.02 -0.75 0.00 -3.20 0.41 0.00 0.00 173.24 169.69 1qbi n ASN 25 N -0.20 -5.54 -4.73 2.44 5.15 0.62 -4.90 115.26 108.09 1qbi n ASN 25 Ca -0.03 -0.02 -0.31 0.00 -0.60 0.00 0.00 54.58 53.62 1qbi n ASN 25 Cb 0.65 -4.58 0.11 0.00 -0.53 0.00 0.00 39.78 35.43 1qbi n ASN 25 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qbi s LEU 26 N -5.54 3.03 -0.79 1.20 1.43 0.54 -4.95 118.68 113.60 1qbi s LEU 26 Ca 0.00 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.96 1qbi s LEU 26 Cb -0.00 -4.55 0.18 0.00 0.03 0.00 0.00 46.19 41.85 1qbi s LEU 26 CO 0.00 -2.39 0.81 0.21 0.23 0.00 0.00 176.35 175.21 1qbi s ASN 27 N -2.94 6.61 -1.15 2.29 3.04 -1.26 -4.52 114.94 117.00 1qbi s ASN 27 Ca 0.65 -2.31 -0.14 0.00 0.04 0.00 0.00 52.86 51.10 1qbi s ASN 27 Cb -0.21 -2.26 -0.02 0.00 -1.54 0.00 0.00 41.25 37.22 1qbi s ASN 27 CO 0.54 -0.78 0.79 0.29 -3.04 0.00 0.00 177.10 174.91 1qbi n LYS 28 N 4.96 -2.01 -1.80 0.43 5.02 -1.26 -3.93 118.16 119.57 1qbi n LYS 28 Ca 0.10 0.56 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 1qbi n LYS 28 Cb 0.46 -4.64 -0.01 0.00 -0.02 0.00 0.00 35.03 30.82 1qbi n LYS 28 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qbi s PRO 29 N -5.67 4.12 0.13 1.97 0.04 -1.26 -0.59 135.00 133.75 1qbi s PRO 29 Ca 0.39 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.00 1qbi s PRO 29 Cb -0.12 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.42 1qbi s PRO 29 CO 0.83 -0.59 0.00 1.58 0.04 0.00 0.00 177.00 178.86 1qbi n HIS 30 N 1.58 -0.54 -4.90 0.56 -0.00 0.43 -4.77 115.22 107.58 1qbi n HIS 30 Ca 0.06 0.10 -0.27 0.00 0.46 0.00 0.00 57.72 58.06 1qbi n HIS 30 Cb 0.38 0.13 -0.15 0.00 -0.12 0.00 0.00 29.99 30.24 1qbi n HIS 30 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1qbi s ALA 31 N -2.00 1.83 0.06 1.57 0.00 -1.26 -4.57 121.76 117.40 1qbi s ALA 31 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1qbi s ALA 31 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1qbi s ALA 31 CO 0.00 0.43 -0.14 -0.48 0.00 0.00 0.00 175.76 175.57 1qbi s LEU 32 N -0.82 2.24 0.01 0.00 2.34 -1.26 -1.00 118.68 120.20 1qbi s LEU 32 Ca 0.08 -0.57 0.00 0.00 0.06 0.00 0.00 54.13 53.71 1qbi s LEU 32 Cb -0.09 -0.53 -0.01 0.00 -0.56 0.00 0.00 46.19 45.00 1qbi s LEU 32 CO 0.00 -0.05 -0.03 -0.76 -1.06 0.00 0.00 176.35 174.46 1qbi s LEU 33 N -1.55 2.16 -0.36 1.48 1.43 0.55 -4.88 118.68 117.50 1qbi s LEU 33 Ca -0.01 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1qbi s LEU 33 Cb -0.09 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.16 1qbi s LEU 33 CO 0.02 -0.18 1.24 0.86 0.23 0.00 0.00 176.35 178.52 1qbi s TRP 34 N -0.93 2.76 0.69 0.29 -0.11 -1.26 -0.96 118.94 119.42 1qbi s TRP 34 Ca -0.10 0.87 -0.13 0.00 1.22 0.00 0.00 56.10 57.97 1qbi s TRP 34 Cb -0.06 -4.04 0.01 0.00 -1.50 0.00 0.00 33.47 27.87 1qbi s TRP 34 CO -0.01 -1.46 1.08 0.20 -4.62 0.00 0.00 176.95 172.14 1qbi s GLY 35 N 2.67 1.89 0.58 5.86 0.00 0.53 -4.90 107.32 113.95 1qbi s GLY 35 Ca 0.53 0.32 0.28 0.00 0.00 0.00 0.00 44.72 45.85 1qbi s GLY 35 CO 0.25 0.66 2.11 -2.55 0.00 0.00 0.00 173.10 173.56 1qbi h PRO 36 N -0.41 0.00 -0.55 2.90 0.11 -1.94 0.19 132.00 132.30 1qbi h PRO 36 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qbi h PRO 36 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qbi h PRO 36 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 1qbi n ASP 37 N -3.90 2.96 -1.35 -2.05 5.68 -1.26 -4.92 116.55 111.71 1qbi n ASP 37 Ca 0.02 -2.01 -0.15 0.00 -0.50 0.00 0.00 54.79 52.15 1qbi n ASP 37 Cb 0.31 -0.37 -0.04 0.00 -1.14 0.00 0.00 41.12 39.88 1qbi n ASP 37 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1qbi n ASN 38 N 1.11 -4.70 -4.86 -1.12 3.02 0.67 -5.01 115.26 104.38 1qbi n ASN 38 Ca 0.18 0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.75 1qbi n ASN 38 Cb 0.47 -3.63 -0.03 0.00 -0.61 0.00 0.00 39.78 35.97 1qbi n ASN 38 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1qbi s GLN 39 N -3.81 2.72 -0.08 3.52 -1.52 -1.26 -4.85 119.66 114.38 1qbi s GLN 39 Ca 0.00 -1.31 -0.24 0.00 -1.95 0.00 0.00 55.36 51.86 1qbi s GLN 39 Cb 0.00 -2.48 -0.03 0.00 -0.22 0.00 0.00 33.01 30.28 1qbi s GLN 39 CO 0.00 0.05 0.73 0.42 -0.25 0.00 0.00 175.29 176.24 1qbi s ILE 40 N -2.32 5.02 -0.11 1.08 -1.09 -0.14 -0.35 121.20 123.30 1qbi s ILE 40 Ca 0.42 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 60.33 1qbi s ILE 40 Cb -0.06 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.74 1qbi s ILE 40 CO 0.27 0.22 -0.10 0.26 -1.23 0.00 0.00 174.94 174.36 1qbi s TRP 41 N 0.98 2.86 0.03 3.97 0.52 -0.13 0.81 118.94 127.97 1qbi s TRP 41 Ca 0.38 -0.35 -0.06 0.00 0.02 0.00 0.00 56.10 56.10 1qbi s TRP 41 Cb -0.18 -1.80 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1qbi s TRP 41 CO 0.18 0.01 0.10 -0.48 0.02 0.00 0.00 176.95 176.78 1qbi s LEU 42 N -0.09 1.75 0.09 2.99 0.05 0.93 -0.33 118.68 124.07 1qbi s LEU 42 Ca -0.01 -0.48 0.04 0.00 0.05 0.00 0.00 54.13 53.74 1qbi s LEU 42 Cb -0.14 0.62 -0.04 0.00 -2.05 0.00 0.00 46.19 44.58 1qbi s LEU 42 CO 0.03 -0.49 0.03 0.42 -0.55 0.00 0.00 176.35 175.80 1qbi s THR 43 N -2.40 4.21 -0.31 5.48 -4.23 -0.17 0.19 115.64 118.41 1qbi s THR 43 Ca -0.07 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1qbi s THR 43 Cb -0.02 -3.03 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1qbi s THR 43 CO -0.04 0.11 0.07 -1.61 -0.54 0.00 0.00 174.62 172.61 1qbi s GLU 44 N -2.39 2.84 0.23 3.99 2.02 -0.30 -0.43 118.70 124.66 1qbi s GLU 44 Ca 0.27 -1.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.17 1qbi s GLU 44 Cb -0.12 -3.36 0.22 0.00 0.10 0.00 0.00 34.13 30.98 1qbi s GLU 44 CO 0.20 -0.54 1.88 -0.09 0.02 0.00 0.00 175.26 176.73 1qbi h ARG 45 N 8.19 1.26 -0.14 1.61 2.43 -0.97 0.57 114.38 127.32 1qbi h ARG 45 Ca -0.28 -0.12 -0.23 0.00 -0.81 0.00 0.00 59.98 58.54 1qbi h ARG 45 Cb 1.10 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1qbi h ARG 45 CO 0.60 0.89 -0.81 0.00 -1.51 0.00 0.00 179.97 179.14 1qbi h ALA 46 N 1.30 0.29 0.00 2.80 0.00 -1.75 0.10 119.26 122.00 1qbi h ALA 46 Ca 0.33 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1qbi h ALA 46 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1qbi h ALA 46 CO -0.06 0.68 -1.46 0.25 0.00 0.00 0.00 179.25 178.66 1qbi n THR 47 N -3.93 0.72 -0.97 0.00 -2.24 -1.20 -4.66 114.28 102.01 1qbi n THR 47 Ca -0.08 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1qbi n THR 47 Cb 0.76 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1qbi n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qbi n GLY 48 N 1.31 0.49 3.75 3.38 0.00 0.19 -4.65 105.19 109.66 1qbi n GLY 48 Ca -0.06 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1qbi n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbi s LYS 49 N -0.40 4.73 -0.34 1.61 1.02 -1.21 -0.30 119.74 124.86 1qbi s LYS 49 Ca 0.00 1.62 -0.07 0.00 0.02 0.00 0.00 55.97 57.54 1qbi s LYS 49 Cb 0.00 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1qbi s LYS 49 CO 0.00 0.32 0.11 0.42 -0.92 0.00 0.00 175.35 175.28 1qbi s ILE 50 N -0.90 3.86 -0.12 2.17 1.01 0.17 -1.15 121.20 126.23 1qbi s ILE 50 Ca 0.44 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1qbi s ILE 50 Cb -0.28 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1qbi s ILE 50 CO 0.35 -0.15 0.12 -0.76 0.00 0.00 0.00 174.94 174.51 1qbi s LEU 51 N 1.43 4.29 -0.18 2.97 1.43 0.13 -0.57 118.68 128.17 1qbi s LEU 51 Ca -0.01 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1qbi s LEU 51 Cb -0.19 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1qbi s LEU 51 CO 0.03 0.41 -0.06 -0.60 0.23 0.00 0.00 176.35 176.35 1qbi s ARG 52 N -1.01 3.45 -0.10 1.70 3.52 0.57 -0.05 118.95 127.03 1qbi s ARG 52 Ca 0.15 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.17 1qbi s ARG 52 Cb -0.12 -2.90 -0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1qbi s ARG 52 CO 0.04 0.00 -0.22 0.08 -0.81 0.00 0.00 175.30 174.39 1qbi s VAL 53 N 0.95 2.25 -0.42 7.11 1.01 0.24 -1.12 120.40 130.42 1qbi s VAL 53 Ca -0.01 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 1qbi s VAL 53 Cb -0.15 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1qbi s VAL 53 CO 0.00 0.56 0.82 0.21 0.00 0.00 0.00 175.10 176.69 1qbi s ASN 54 N 0.24 6.49 0.42 3.32 3.84 0.25 -0.97 114.94 128.54 1qbi s ASN 54 Ca -0.15 0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.18 1qbi s ASN 54 Cb -0.17 -2.40 0.91 0.00 -0.55 0.00 0.00 41.25 39.04 1qbi s ASN 54 CO 0.07 -0.87 1.97 1.55 -2.79 0.00 0.00 177.10 177.03 1qbi h PRO 55 N 8.79 0.12 -0.23 0.43 0.13 -1.92 1.30 132.00 140.61 1qbi h PRO 55 Ca -0.25 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.68 1qbi h PRO 55 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qbi h PRO 55 CO 0.96 0.26 -0.58 0.93 -0.23 0.00 0.00 178.00 179.34 1qbi h GLU 56 N 0.11 0.79 0.00 0.86 3.07 -1.98 -3.32 114.58 114.12 1qbi h GLU 56 Ca 0.02 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 1qbi h GLU 56 Cb 0.32 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1qbi h GLU 56 CO 0.02 1.17 -1.54 -1.13 -1.40 0.00 0.00 179.01 176.14 1qbi n SER 57 N -4.05 0.97 0.00 1.42 3.41 -1.18 -4.96 113.62 109.23 1qbi n SER 57 Ca -0.06 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 1qbi n SER 57 Cb 0.64 1.59 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 1qbi n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qbi n GLY 58 N 1.49 0.52 3.70 5.00 0.00 0.44 -4.96 105.19 111.38 1qbi n GLY 58 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1qbi n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qbi n SER 59 N -0.16 3.53 -4.30 1.61 7.64 -1.19 -4.71 113.62 116.05 1qbi n SER 59 Ca 0.00 1.09 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 1qbi n SER 59 Cb 0.08 -1.51 -0.16 0.00 -1.01 0.00 0.00 64.21 61.61 1qbi n SER 59 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qbi s VAL 60 N 0.71 1.97 -0.03 0.44 1.01 -1.26 -0.58 120.40 122.66 1qbi s VAL 60 Ca 0.73 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1qbi s VAL 60 Cb -0.58 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1qbi s VAL 60 CO 0.39 0.49 -0.09 -0.75 0.00 0.00 0.00 175.10 175.15 1qbi s LYS 61 N -0.75 1.05 -0.77 2.72 2.20 -0.28 -4.98 119.74 118.94 1qbi s LYS 61 Ca 0.10 -0.29 -0.27 0.00 -0.36 0.00 0.00 55.97 55.15 1qbi s LYS 61 Cb -0.10 -0.97 0.03 0.00 -1.51 0.00 0.00 37.83 35.29 1qbi s LYS 61 CO -0.00 0.08 1.30 0.99 -0.36 0.00 0.00 175.35 177.36 1qbi s THR 62 N 0.36 3.74 0.19 3.43 2.01 -1.26 -0.32 115.64 123.79 1qbi s THR 62 Ca -0.06 0.29 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 1qbi s THR 62 Cb -0.10 -4.93 0.10 0.00 0.01 0.00 0.00 72.50 67.58 1qbi s THR 62 CO 0.01 -1.86 1.71 0.58 -0.69 0.00 0.00 174.62 174.37 1qbi h VAL 63 N 6.12 1.26 -1.87 3.82 2.07 -1.17 -3.46 116.25 123.00 1qbi h VAL 63 Ca -0.23 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1qbi h VAL 63 Cb 1.05 0.56 -0.20 0.00 -1.52 0.00 0.00 31.29 31.18 1qbi h VAL 63 CO 1.30 0.35 0.29 0.12 0.02 0.00 0.00 177.57 179.64 1qbi s PHE 64 N -5.37 -0.59 -0.20 1.57 5.36 -1.15 -4.36 117.98 113.24 1qbi s PHE 64 Ca -0.12 1.05 0.01 0.00 -0.96 0.00 0.00 56.93 56.91 1qbi s PHE 64 Cb 0.14 0.41 0.04 0.00 -0.34 0.00 0.00 43.02 43.27 1qbi s PHE 64 CO 0.83 -0.51 -0.15 -1.14 -1.46 0.00 0.00 175.22 172.79 1qbi s GLN 65 N -1.03 2.51 -0.16 10.12 0.74 -1.26 0.41 119.66 131.00 1qbi s GLN 65 Ca -0.07 -0.93 -0.29 0.00 0.05 0.00 0.00 55.36 54.12 1qbi s GLN 65 Cb -0.01 -2.56 -0.04 0.00 1.10 0.00 0.00 33.01 31.50 1qbi s GLN 65 CO 0.07 -0.35 1.73 0.08 -0.55 0.00 0.00 175.29 176.27 1qbi s VAL 66 N 1.29 3.51 0.58 1.34 1.01 0.59 -4.94 120.40 123.79 1qbi s VAL 66 Ca 0.00 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 1qbi s VAL 66 Cb -0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1qbi s VAL 66 CO -0.10 -0.18 1.22 -2.84 0.00 0.00 0.00 175.10 173.20 1qbi s PRO 67 N 4.72 3.02 -1.98 2.72 0.02 -1.26 -3.64 135.00 138.60 1qbi s PRO 67 Ca 0.77 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.66 1qbi s PRO 67 Cb -0.30 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1qbi s PRO 67 CO 0.31 -1.18 0.00 0.39 -0.33 0.00 0.00 177.00 176.19 1qbi n GLU 68 N -1.48 -1.32 -1.86 5.54 1.02 -1.26 -4.96 120.64 116.32 1qbi n GLU 68 Ca 0.13 1.15 -0.42 0.00 -0.02 0.00 0.00 57.16 58.00 1qbi n GLU 68 Cb 0.49 -5.46 -0.02 0.00 -0.02 0.00 0.00 31.44 26.43 1qbi n GLU 68 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qbi s ILE 69 N -2.71 2.33 -0.22 -3.67 -1.09 -1.24 -4.53 121.20 110.07 1qbi s ILE 69 Ca 0.00 0.26 -0.08 0.00 -2.23 0.00 0.00 60.65 58.60 1qbi s ILE 69 Cb 0.00 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 1qbi s ILE 69 CO 0.00 0.03 0.09 -0.69 -1.23 0.00 0.00 174.94 173.14 1qbi s VAL 70 N 0.46 4.76 -0.01 2.92 1.01 0.40 -4.97 120.40 124.96 1qbi s VAL 70 Ca 0.66 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.61 1qbi s VAL 70 Cb -0.46 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1qbi s VAL 70 CO 0.40 0.39 -0.02 0.21 0.00 0.00 0.00 175.10 176.08 1qbi s ASN 71 N 0.93 0.37 -0.16 3.32 3.84 -1.26 -2.85 114.94 119.13 1qbi s ASN 71 Ca 0.05 -0.04 -0.08 0.00 0.21 0.00 0.00 52.86 52.99 1qbi s ASN 71 Cb -0.14 -0.10 -0.04 0.00 -0.55 0.00 0.00 41.25 40.42 1qbi s ASN 71 CO 0.03 -0.01 0.11 -1.81 -2.79 0.00 0.00 177.10 172.63 1qbi s ASP 72 N 0.30 6.11 0.37 -4.21 1.11 -1.26 -4.98 116.67 114.10 1qbi s ASP 72 Ca -0.03 0.29 0.09 0.00 0.18 0.00 0.00 52.55 53.09 1qbi s ASP 72 Cb -0.05 -2.01 0.84 0.00 1.07 0.00 0.00 42.92 42.76 1qbi s ASP 72 CO -0.01 0.28 1.89 0.00 1.18 0.00 0.00 175.17 178.51 1qbi h ALA 73 N 5.92 1.86 -0.59 5.23 0.00 -2.01 0.55 119.26 130.22 1qbi h ALA 73 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1qbi h ALA 73 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qbi h ALA 73 CO 0.67 -0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1qbi n ASP 74 N -4.54 3.66 -4.66 0.00 5.75 -1.26 -4.95 116.55 110.54 1qbi n ASP 74 Ca 0.16 -2.16 -0.30 0.00 -0.01 0.00 0.00 54.79 52.48 1qbi n ASP 74 Cb 0.45 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 1qbi n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1qbi s GLY 75 N -0.93 2.68 -0.21 6.12 0.00 0.18 -5.01 107.32 110.16 1qbi s GLY 75 Ca 0.42 -1.62 0.15 0.00 0.00 0.00 0.00 44.72 43.67 1qbi s GLY 75 CO 0.25 -2.13 1.48 -1.06 0.00 0.00 0.00 173.10 171.65 1qbi n GLN 76 N -1.07 2.91 -2.51 2.90 3.00 0.23 -4.73 117.38 118.12 1qbi n GLN 76 Ca -0.10 -2.94 -0.24 0.00 -0.01 0.00 0.00 57.00 53.71 1qbi n GLN 76 Cb 0.67 -1.90 0.11 0.00 0.00 0.00 0.00 30.24 29.12 1qbi n GLN 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1qbi s ASN 77 N -1.90 4.28 0.00 1.08 2.20 -1.26 -4.70 114.94 114.65 1qbi s ASN 77 Ca 0.44 -0.26 0.00 0.00 -0.94 0.00 0.00 52.86 52.11 1qbi s ASN 77 Cb 0.37 -0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.49 1qbi s ASN 77 CO 0.08 -1.91 0.00 0.61 -2.94 0.00 0.00 177.10 172.95 1qbi n GLY 78 N -2.91 0.45 3.68 0.45 0.00 -1.13 -4.63 105.19 101.10 1qbi n GLY 78 Ca 0.14 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1qbi n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qbi s LEU 79 N 0.00 4.22 0.00 0.99 2.96 0.35 -1.06 118.68 126.14 1qbi s LEU 79 Ca 0.00 1.27 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1qbi s LEU 79 Cb 0.00 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.40 1qbi s LEU 79 CO 0.00 -0.35 0.00 0.18 -1.32 0.00 0.00 176.35 174.86 1qbi n LEU 80 N 4.86 0.00 -4.77 -0.68 4.77 -0.01 -4.18 117.00 116.99 1qbi n LEU 80 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 1qbi n LEU 80 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1qbi n LEU 80 CO 0.49 -0.01 1.13 -0.83 -1.33 0.00 0.00 177.39 176.84 1qbi s GLY 81 N -2.02 2.85 -0.26 -0.72 0.00 -0.56 -4.75 107.32 101.87 1qbi s GLY 81 Ca 0.00 1.53 -0.07 0.00 0.00 0.00 0.00 44.72 46.18 1qbi s GLY 81 CO 0.00 2.24 0.53 -0.12 0.00 0.00 0.00 173.10 175.75 1qbi s PHE 82 N -0.98 -1.12 0.05 1.90 5.36 -1.23 -1.83 117.98 120.12 1qbi s PHE 82 Ca 0.53 1.79 -0.15 0.00 -0.96 0.00 0.00 56.93 58.14 1qbi s PHE 82 Cb -0.46 0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 1qbi s PHE 82 CO 0.60 -0.63 0.33 0.00 -1.46 0.00 0.00 175.22 174.06 1qbi s ALA 83 N 2.75 -0.77 0.11 11.12 0.00 0.15 -4.76 121.76 130.36 1qbi s ALA 83 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1qbi s ALA 83 Cb -0.13 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 1qbi s ALA 83 CO -0.17 -0.43 0.29 -0.06 0.00 0.00 0.00 175.76 175.39 1qbi s PHE 84 N -2.56 3.50 0.34 0.00 0.40 -1.26 0.43 117.98 118.82 1qbi s PHE 84 Ca -0.05 0.34 -0.29 0.00 -0.60 0.00 0.00 56.93 56.33 1qbi s PHE 84 Cb -0.01 -1.83 -0.11 0.00 0.51 0.00 0.00 43.02 41.58 1qbi s PHE 84 CO -0.03 0.51 1.55 1.58 0.70 0.00 0.00 175.22 179.53 1qbi n HIS 85 N 0.03 2.95 0.03 0.36 -0.00 -0.12 -4.86 115.22 113.61 1qbi n HIS 85 Ca -0.04 0.34 0.15 0.00 -0.00 0.00 0.00 57.72 58.17 1qbi n HIS 85 Cb 0.52 -2.57 0.62 0.00 -0.00 0.00 0.00 29.99 28.56 1qbi n HIS 85 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qbi h PRO 86 N 3.94 0.12 -2.23 1.57 0.13 -1.92 -2.84 132.00 130.78 1qbi h PRO 86 Ca -0.49 -0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 1qbi h PRO 86 Cb 1.23 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 1qbi h PRO 86 CO 0.72 0.08 -0.45 -3.47 -0.23 0.00 0.00 178.00 174.65 1qbi n ASP 87 N -4.44 4.85 -0.13 1.44 2.03 -1.26 -4.90 116.55 114.15 1qbi n ASP 87 Ca 0.07 -3.69 0.13 0.00 0.52 0.00 0.00 54.79 51.82 1qbi n ASP 87 Cb 0.44 -0.62 0.49 0.00 -0.72 0.00 0.00 41.12 40.70 1qbi n ASP 87 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1qbi h PHE 88 N 3.08 0.48 -0.41 -0.67 3.57 -1.60 0.79 116.94 122.18 1qbi h PHE 88 Ca 0.19 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.82 1qbi h PHE 88 Cb 0.51 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1qbi h PHE 88 CO 0.89 0.21 0.30 0.87 -2.23 0.00 0.00 178.31 178.36 1qbi h LYS 89 N 0.44 0.00 0.00 1.11 6.56 -1.90 -2.37 116.57 120.41 1qbi h LYS 89 Ca 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.91 1qbi h LYS 89 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1qbi h LYS 89 CO -0.10 0.00 -0.58 0.09 -2.06 0.00 0.00 179.45 176.80 1qbi n ASN 90 N -4.38 1.21 -3.44 0.86 3.02 -0.74 -4.81 115.26 106.99 1qbi n ASN 90 Ca 0.07 -0.46 -0.27 0.00 -0.03 0.00 0.00 54.58 53.88 1qbi n ASN 90 Cb 0.49 1.08 -0.10 0.00 -0.61 0.00 0.00 39.78 40.64 1qbi n ASN 90 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qbi s ASN 91 N -1.92 1.74 -1.03 6.41 0.01 0.20 -5.04 114.94 115.31 1qbi s ASN 91 Ca 0.01 -3.14 -0.09 0.00 -0.71 0.00 0.00 52.86 48.93 1qbi s ASN 91 Cb 0.05 -0.55 -0.07 0.00 0.41 0.00 0.00 41.25 41.09 1qbi s ASN 91 CO 0.26 -0.16 2.22 -0.81 -1.51 0.00 0.00 177.10 177.09 1qbi n PRO 92 N 2.77 2.28 -4.83 -0.60 -0.04 -0.95 -3.82 135.00 129.80 1qbi n PRO 92 Ca 0.29 -1.70 -0.32 0.00 -0.04 0.00 0.00 63.50 61.73 1qbi n PRO 92 Cb 0.47 -2.63 -0.13 0.00 -0.04 0.00 0.00 33.50 31.17 1qbi n PRO 92 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1qbi s TYR 93 N 3.47 2.69 -0.11 0.54 1.51 -1.26 0.37 117.35 124.56 1qbi s TYR 93 Ca 0.47 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.40 1qbi s TYR 93 Cb 0.12 -1.60 -0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1qbi s TYR 93 CO -0.02 0.21 -0.22 0.42 -1.11 0.00 0.00 175.55 174.84 1qbi s ILE 94 N -0.78 2.26 -0.13 2.71 1.01 0.54 -0.95 121.20 125.88 1qbi s ILE 94 Ca 0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1qbi s ILE 94 Cb -0.11 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1qbi s ILE 94 CO 0.02 0.55 -0.09 -0.31 0.00 0.00 0.00 174.94 175.11 1qbi s TYR 95 N 0.38 2.90 0.21 3.97 1.51 0.17 0.08 117.35 126.56 1qbi s TYR 95 Ca -0.17 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1qbi s TYR 95 Cb -0.17 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.77 1qbi s TYR 95 CO 0.08 -0.06 0.03 0.96 -1.11 0.00 0.00 175.55 175.45 1qbi s ILE 96 N 0.16 0.69 0.10 2.71 -5.25 0.07 -0.68 121.20 119.01 1qbi s ILE 96 Ca -0.05 -1.99 0.05 0.00 -0.99 0.00 0.00 60.65 57.67 1qbi s ILE 96 Cb -0.14 -2.31 -0.03 0.00 2.95 0.00 0.00 42.46 42.92 1qbi s ILE 96 CO 0.04 -0.31 -0.13 -0.94 -1.79 0.00 0.00 174.94 171.81 1qbi s SER 97 N -3.23 1.70 0.15 4.36 1.04 -0.76 -0.25 113.70 116.71 1qbi s SER 97 Ca 0.29 -0.74 -0.24 0.00 0.48 0.00 0.00 55.95 55.73 1qbi s SER 97 Cb 0.07 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.21 1qbi s SER 97 CO 0.08 -0.16 0.76 -0.83 0.98 0.00 0.00 173.24 174.06 1qbi s GLY 98 N -2.21 -0.39 -0.21 7.32 0.00 -0.27 -0.83 107.32 110.75 1qbi s GLY 98 Ca 0.04 0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.86 1qbi s GLY 98 CO 0.02 0.11 0.79 -1.59 0.00 0.00 0.00 173.10 172.43 1qbi s THR 99 N -3.57 4.89 0.13 0.90 2.01 -0.23 -0.95 115.64 118.81 1qbi s THR 99 Ca 0.06 1.52 0.03 0.00 0.31 0.00 0.00 61.69 63.62 1qbi s THR 99 Cb -0.02 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1qbi s THR 99 CO -0.05 -0.00 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.44 1qbi s PHE 100 N 2.40 1.12 0.45 4.92 0.40 -0.08 -0.45 117.98 126.74 1qbi s PHE 100 Ca 0.35 -0.80 -0.25 0.00 -0.60 0.00 0.00 56.93 55.62 1qbi s PHE 100 Cb -0.16 -0.59 -0.08 0.00 0.51 0.00 0.00 43.02 42.69 1qbi s PHE 100 CO 0.10 -0.00 1.44 0.21 0.70 0.00 0.00 175.22 177.67 1qbi s LYS 101 N -3.70 3.67 -0.44 0.44 2.20 -1.26 -0.02 119.74 120.63 1qbi s LYS 101 Ca 0.14 2.45 -0.10 0.00 -0.36 0.00 0.00 55.97 58.10 1qbi s LYS 101 Cb 0.03 -2.66 0.09 0.00 -1.51 0.00 0.00 37.83 33.79 1qbi s LYS 101 CO -0.01 -0.84 0.31 1.21 -0.36 0.00 0.00 175.35 175.66 1qbi s ASN 102 N -0.47 5.73 0.24 1.43 3.84 -0.21 -4.60 114.94 120.89 1qbi s ASN 102 Ca 0.61 -1.63 -0.05 0.00 0.21 0.00 0.00 52.86 52.01 1qbi s ASN 102 Cb -0.44 -2.02 0.41 0.00 -0.55 0.00 0.00 41.25 38.64 1qbi s ASN 102 CO 0.57 -0.61 1.76 1.55 -2.79 0.00 0.00 177.10 177.59 1qbi h PRO 103 N 8.47 0.55 0.00 0.43 0.13 -1.98 -3.45 132.00 136.15 1qbi h PRO 103 Ca -0.23 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1qbi h PRO 103 Cb 1.08 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1qbi h PRO 103 CO 0.81 0.36 -0.09 0.87 -0.23 0.00 0.00 178.00 179.73 1qbi h LYS 104 N 0.57 0.00 0.00 0.86 1.57 -2.03 -3.54 116.57 114.00 1qbi h LYS 104 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1qbi h LYS 104 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1qbi h LYS 104 CO -0.32 0.09 -0.46 -0.35 -0.57 0.00 0.00 179.45 177.83 1qbi n PRO 111 N -3.64 0.22 -3.82 3.15 -0.04 -1.26 -5.14 135.00 124.48 1qbi n PRO 111 Ca -0.02 0.09 -0.25 0.00 -0.04 0.00 0.00 63.50 63.28 1qbi n PRO 111 Cb 0.20 -1.66 -0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1qbi n PRO 111 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qbi s ASN 112 N -3.99 4.71 0.15 3.54 0.01 -1.26 -1.05 114.94 117.05 1qbi s ASN 112 Ca 0.08 -1.09 -0.00 0.00 -0.71 0.00 0.00 52.86 51.14 1qbi s ASN 112 Cb 0.14 0.05 -0.04 0.00 0.41 0.00 0.00 41.25 41.81 1qbi s ASN 112 CO 0.68 -0.93 0.05 0.00 -1.51 0.00 0.00 177.10 175.40 1qbi s GLN 113 N -4.20 0.99 -0.09 -0.60 -2.07 0.98 -4.38 119.66 110.29 1qbi s GLN 113 Ca 0.39 -1.48 -0.00 0.00 -1.82 0.00 0.00 55.36 52.45 1qbi s GLN 113 Cb -0.02 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1qbi s GLN 113 CO 0.23 -0.24 -0.07 0.99 -1.32 0.00 0.00 175.29 174.89 1qbi s THR 114 N -3.97 3.69 -0.05 3.63 2.01 0.48 -0.90 115.64 120.54 1qbi s THR 114 Ca 0.25 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1qbi s THR 114 Cb 0.07 -2.53 -0.00 0.00 0.01 0.00 0.00 72.50 70.05 1qbi s THR 114 CO 0.03 0.58 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.74 1qbi s ILE 115 N -0.52 1.43 -0.27 1.82 1.01 -0.13 -2.20 121.20 122.34 1qbi s ILE 115 Ca 0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1qbi s ILE 115 Cb -0.12 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1qbi s ILE 115 CO 0.02 0.41 0.20 -0.63 0.00 0.00 0.00 174.94 174.95 1qbi s ILE 116 N 0.16 5.31 0.02 2.92 1.01 0.10 -1.11 121.20 129.61 1qbi s ILE 116 Ca -0.07 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.84 1qbi s ILE 116 Cb -0.13 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 1qbi s ILE 116 CO 0.03 0.27 -0.08 -0.60 0.00 0.00 0.00 174.94 174.55 1qbi s ARG 117 N 1.58 0.60 -0.05 2.79 3.52 0.65 -0.14 118.95 127.90 1qbi s ARG 117 Ca 0.08 -0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 1qbi s ARG 117 Cb -0.15 -0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 1qbi s ARG 117 CO 0.09 0.12 0.14 0.50 -0.81 0.00 0.00 175.30 175.34 1qbi s ARG 118 N -0.92 3.35 0.14 5.12 3.52 0.11 -0.75 118.95 129.53 1qbi s ARG 118 Ca -0.03 -0.28 0.10 0.00 -0.13 0.00 0.00 55.73 55.39 1qbi s ARG 118 Cb -0.07 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 1qbi s ARG 118 CO 0.00 0.71 -0.23 0.71 -0.81 0.00 0.00 175.30 175.69 1qbi s TYR 119 N -1.17 2.05 -0.20 5.12 1.51 0.11 -0.59 117.35 124.18 1qbi s TYR 119 Ca 0.21 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.79 1qbi s TYR 119 Cb -0.12 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 1qbi s TYR 119 CO 0.12 0.34 0.09 0.99 -1.11 0.00 0.00 175.55 175.97 1qbi s THR 120 N -1.45 4.89 -0.09 -0.71 2.01 0.31 -0.34 115.64 120.27 1qbi s THR 120 Ca 0.14 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.90 1qbi s THR 120 Cb -0.09 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1qbi s THR 120 CO 0.07 0.42 0.78 -0.47 -0.69 0.00 0.00 174.62 174.73 1qbi s TYR 121 N 0.65 3.54 -0.42 4.92 5.04 0.16 -0.89 117.35 130.36 1qbi s TYR 121 Ca 0.05 1.32 -0.12 0.00 -2.44 0.00 0.00 57.07 55.87 1qbi s TYR 121 Cb -0.13 -2.91 0.05 0.00 0.35 0.00 0.00 41.96 39.32 1qbi s TYR 121 CO 0.01 -0.02 0.29 1.21 -1.34 0.00 0.00 175.55 175.70 1qbi s ASN 122 N 0.94 5.88 0.44 4.32 3.84 0.10 -4.86 114.94 125.60 1qbi s ASN 122 Ca 0.40 -1.23 0.19 0.00 0.21 0.00 0.00 52.86 52.43 1qbi s ASN 122 Cb -0.18 -2.08 1.02 0.00 -0.55 0.00 0.00 41.25 39.46 1qbi s ASN 122 CO 0.18 -0.52 1.94 0.50 -2.79 0.00 0.00 177.10 176.41 1qbi h LYS 123 N 8.55 0.00 -0.04 0.43 3.11 -1.96 0.67 116.57 127.33 1qbi h LYS 123 Ca -0.26 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.57 1qbi h LYS 123 Cb 1.10 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1qbi h LYS 123 CO 0.76 0.24 -0.00 1.03 -2.81 0.00 0.00 179.45 178.68 1qbi h SER 124 N 0.00 0.07 -0.25 4.20 0.87 -1.96 -3.21 113.55 113.28 1qbi h SER 124 Ca -0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1qbi h SER 124 Cb 0.50 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1qbi h SER 124 CO 0.03 0.39 0.00 0.35 -0.53 0.00 0.00 176.83 177.07 1qbi n THR 125 N -4.88 0.30 -3.85 2.23 -2.24 -1.19 -4.98 114.28 99.67 1qbi n THR 125 Ca -0.07 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.73 1qbi n THR 125 Cb 0.19 1.18 0.02 0.00 -2.10 0.00 0.00 70.33 69.63 1qbi n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1qbi n ASP 126 N 1.44 -3.70 -3.67 3.42 2.03 0.20 -4.97 116.55 111.29 1qbi n ASP 126 Ca 0.17 -1.08 -0.10 0.00 0.52 0.00 0.00 54.79 54.31 1qbi n ASP 126 Cb 0.61 -2.90 -0.03 0.00 -0.72 0.00 0.00 41.12 38.08 1qbi n ASP 126 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1qbi s THR 127 N -3.62 0.00 -0.03 5.18 -1.32 -1.06 -4.87 115.64 109.92 1qbi s THR 127 Ca 0.35 -1.29 -0.02 0.00 -1.21 0.00 0.00 61.69 59.52 1qbi s THR 127 Cb -0.15 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.46 1qbi s THR 127 CO 0.90 0.00 0.11 -0.76 -2.21 0.00 0.00 174.62 172.65 1qbi s LEU 128 N -3.04 4.06 0.38 9.08 1.02 -1.26 -0.72 118.68 128.19 1qbi s LEU 128 Ca 0.20 0.24 -0.12 0.00 0.02 0.00 0.00 54.13 54.48 1qbi s LEU 128 Cb -0.02 -2.28 0.04 0.00 0.02 0.00 0.00 46.19 43.95 1qbi s LEU 128 CO 0.11 0.30 0.71 -1.83 0.02 0.00 0.00 176.35 175.66 1qbi s GLU 129 N -1.60 2.19 -1.24 1.70 -1.05 -0.07 -4.95 118.70 113.68 1qbi s GLU 129 Ca 0.22 -1.56 -0.04 0.00 -0.15 0.00 0.00 54.97 53.44 1qbi s GLU 129 Cb -0.12 0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 1qbi s GLU 129 CO 0.12 -1.00 0.75 1.63 0.95 0.00 0.00 175.26 177.72 1qbi n LYS 130 N -0.55 -3.98 -1.72 -4.83 5.02 -1.26 -0.53 118.16 110.31 1qbi n LYS 130 Ca -0.06 0.63 -0.40 0.00 -2.02 0.00 0.00 58.31 56.46 1qbi n LYS 130 Cb 0.60 -5.10 0.02 0.00 -0.02 0.00 0.00 35.03 30.53 1qbi n LYS 130 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1qbi n PRO 131 N -4.12 1.99 -3.74 1.97 -0.04 -1.26 -4.31 135.00 125.49 1qbi n PRO 131 Ca -0.24 0.71 -0.22 0.00 -0.04 0.00 0.00 63.50 63.71 1qbi n PRO 131 Cb 0.66 -2.47 -0.18 0.00 -0.04 0.00 0.00 33.50 31.46 1qbi n PRO 131 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1qbi s VAL 132 N -1.21 0.26 -0.25 0.52 1.01 0.24 -4.97 120.40 116.00 1qbi s VAL 132 Ca 0.62 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 1qbi s VAL 132 Cb -0.48 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1qbi s VAL 132 CO 0.57 0.23 1.24 -1.81 0.00 0.00 0.00 175.10 175.32 1qbi s ASP 133 N 2.02 6.83 -0.07 3.32 1.11 -1.26 0.06 116.67 128.67 1qbi s ASP 133 Ca 0.05 1.35 -0.08 0.00 0.18 0.00 0.00 52.55 54.06 1qbi s ASP 133 Cb -0.12 -2.54 -0.28 0.00 1.07 0.00 0.00 42.92 41.04 1qbi s ASP 133 CO -0.05 -0.92 0.58 -0.07 1.18 0.00 0.00 175.17 175.89 1qbi h LEU 134 N 10.29 0.50 -7.00 1.23 3.38 -0.82 -3.46 115.31 119.43 1qbi h LEU 134 Ca -0.25 -0.86 -0.16 0.00 0.09 0.00 0.00 57.88 56.70 1qbi h LEU 134 Cb 1.09 -0.16 -0.30 0.00 0.09 0.00 0.00 40.66 41.38 1qbi h LEU 134 CO 1.01 1.75 -0.46 -0.22 0.09 0.00 0.00 178.44 180.60 1qbi s LEU 135 N -7.12 -0.49 0.47 1.67 2.96 -0.94 -4.22 118.68 111.00 1qbi s LEU 135 Ca -0.17 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1qbi s LEU 135 Cb 0.06 1.02 -0.04 0.00 0.50 0.00 0.00 46.19 47.74 1qbi s LEU 135 CO 0.82 -0.25 0.01 0.00 -1.32 0.00 0.00 176.35 175.61 1qbi s ALA 136 N 2.52 3.69 -0.82 5.97 0.00 -1.26 -0.72 121.76 131.14 1qbi s ALA 136 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1qbi s ALA 136 Cb -0.13 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1qbi s ALA 136 CO -0.12 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1qbi n GLY 137 N -1.13 0.77 3.83 0.00 0.00 -1.22 -4.95 105.19 102.50 1qbi n GLY 137 Ca -0.13 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1qbi n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qbi s LEU 138 N -1.95 3.72 0.54 0.99 1.43 -0.94 -4.23 118.68 118.25 1qbi s LEU 138 Ca 0.00 1.62 -0.20 0.00 -1.03 0.00 0.00 54.13 54.52 1qbi s LEU 138 Cb 0.00 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.63 1qbi s LEU 138 CO 0.00 -0.54 0.87 -2.65 0.23 0.00 0.00 176.35 174.26 1qbi n PRO 139 N -1.30 0.93 -3.83 1.29 -0.02 -1.26 -0.38 135.00 130.42 1qbi n PRO 139 Ca 0.07 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 1qbi n PRO 139 Cb 0.54 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.90 1qbi n PRO 139 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qbi s SER 140 N -1.09 -0.08 0.21 2.55 0.15 -1.26 -3.73 113.70 110.45 1qbi s SER 140 Ca 0.71 0.03 -0.21 0.00 0.70 0.00 0.00 55.95 57.17 1qbi s SER 140 Cb -0.46 0.29 0.07 0.00 -1.71 0.00 0.00 66.02 64.21 1qbi s SER 140 CO 0.51 -0.29 1.01 -0.94 1.20 0.00 0.00 173.24 174.74 1qbi s SER 141 N -0.91 0.01 0.00 5.45 1.04 -1.26 -4.83 113.70 113.20 1qbi s SER 141 Ca -0.10 -0.73 0.28 0.00 0.48 0.00 0.00 55.95 55.88 1qbi s SER 141 Cb -0.05 0.54 1.10 0.00 0.10 0.00 0.00 66.02 67.70 1qbi s SER 141 CO 0.02 -1.07 1.81 0.29 0.98 0.00 0.00 173.24 175.26 1qbi n LYS 142 N -0.69 0.13 -4.29 4.02 5.02 -1.26 -4.39 118.16 116.70 1qbi n LYS 142 Ca -0.03 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.00 1qbi n LYS 142 Cb 0.59 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.98 1qbi n LYS 142 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qbi s ASP 143 N -2.89 2.53 -1.12 4.39 1.11 -1.26 0.78 116.67 120.21 1qbi s ASP 143 Ca 0.17 -0.74 -0.26 0.00 0.18 0.00 0.00 52.55 51.89 1qbi s ASP 143 Cb 0.19 -0.14 0.03 0.00 1.07 0.00 0.00 42.92 44.07 1qbi s ASP 143 CO 0.56 0.02 0.67 1.41 1.18 0.00 0.00 175.17 179.01 1qbi n HIS 144 N 0.84 -1.58 0.01 4.23 8.25 -1.26 -3.32 115.22 122.39 1qbi n HIS 144 Ca -0.18 0.27 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 1qbi n HIS 144 Cb 0.55 -2.83 -0.14 0.00 1.12 0.00 0.00 29.99 28.69 1qbi n HIS 144 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1qbi h GLN 145 N -2.05 0.20 0.00 -0.41 1.08 -1.88 -2.41 115.11 109.64 1qbi h GLN 145 Ca -0.69 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.16 1qbi h GLN 145 Cb 1.40 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 1qbi h GLN 145 CO 0.48 1.02 0.00 0.43 -0.95 0.00 0.00 178.83 179.81 1qbi n SER 146 N -3.37 0.00 -0.01 1.46 7.64 -1.26 -1.51 113.62 116.57 1qbi n SER 146 Ca -0.25 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.63 1qbi n SER 146 Cb 1.05 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 64.25 1qbi n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbi n GLY 147 N 0.00 0.38 3.71 0.23 0.00 0.81 -4.82 105.19 105.50 1qbi n GLY 147 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1qbi n GLY 147 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qbi s ARG 148 N -2.74 4.45 -0.11 1.61 6.06 -1.24 -1.50 118.95 125.47 1qbi s ARG 148 Ca 0.00 1.74 0.00 0.00 -2.50 0.00 0.00 55.73 54.98 1qbi s ARG 148 Cb 0.00 -3.35 0.02 0.00 0.06 0.00 0.00 34.95 31.68 1qbi s ARG 148 CO 0.00 -0.22 -0.10 -1.17 -2.50 0.00 0.00 175.30 171.31 1qbi s LEU 149 N 0.93 1.39 0.07 -0.88 0.20 -1.26 -0.62 118.68 118.51 1qbi s LEU 149 Ca 0.57 -0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.06 1qbi s LEU 149 Cb -0.29 -0.93 -0.03 0.00 -0.43 0.00 0.00 46.19 44.51 1qbi s LEU 149 CO 0.30 -0.08 -0.06 0.68 -0.29 0.00 0.00 176.35 176.90 1qbi s VAL 150 N 1.48 0.54 -0.23 1.68 -7.23 0.02 -4.38 120.40 112.27 1qbi s VAL 150 Ca 0.02 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1qbi s VAL 150 Cb -0.13 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1qbi s VAL 150 CO -0.07 -0.69 0.03 -0.63 -0.31 0.00 0.00 175.10 173.42 1qbi s ILE 151 N -2.73 4.00 0.87 -0.62 1.01 -1.26 0.13 121.20 122.59 1qbi s ILE 151 Ca 0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.26 1qbi s ILE 151 Cb -0.01 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.73 1qbi s ILE 151 CO -0.03 0.38 1.14 -0.83 0.00 0.00 0.00 174.94 175.60 1qbi s GLY 152 N 1.42 1.58 0.62 6.18 0.00 0.12 -4.90 107.32 112.34 1qbi s GLY 152 Ca 0.05 -0.52 0.37 0.00 0.00 0.00 0.00 44.72 44.61 1qbi s GLY 152 CO 0.01 0.00 2.27 -0.56 0.00 0.00 0.00 173.10 174.83 1qbi h PRO 153 N -1.33 0.00 -0.04 2.90 0.13 -1.95 0.89 132.00 132.60 1qbi h PRO 153 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1qbi h PRO 153 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1qbi h PRO 153 CO 0.63 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 1qbi n ASP 154 N -3.41 0.29 -1.53 1.44 5.68 -1.26 -4.89 116.55 112.87 1qbi n ASP 154 Ca -0.03 -1.71 -0.16 0.00 -0.50 0.00 0.00 54.79 52.39 1qbi n ASP 154 Cb 0.11 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 1qbi n ASP 154 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qbi n GLN 155 N -0.48 -1.18 -4.13 0.11 1.13 0.31 -5.00 117.38 108.14 1qbi n GLN 155 Ca 0.09 0.89 -0.27 0.00 -1.94 0.00 0.00 57.00 55.77 1qbi n GLN 155 Cb 0.08 -5.17 -0.06 0.00 0.11 0.00 0.00 30.24 25.20 1qbi n GLN 155 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1qbi s LYS 156 N -4.14 2.71 -0.08 -1.09 -0.14 -1.25 -4.34 119.74 111.41 1qbi s LYS 156 Ca 0.00 -0.95 -0.26 0.00 -1.36 0.00 0.00 55.97 53.40 1qbi s LYS 156 Cb 0.00 -2.54 -0.03 0.00 -1.68 0.00 0.00 37.83 33.58 1qbi s LYS 156 CO 0.00 0.48 0.82 0.42 -0.76 0.00 0.00 175.35 176.30 1qbi s ILE 157 N -1.72 4.95 -0.18 2.17 1.01 0.24 -0.71 121.20 126.96 1qbi s ILE 157 Ca 0.29 1.67 -0.04 0.00 0.00 0.00 0.00 60.65 62.57 1qbi s ILE 157 Cb -0.10 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1qbi s ILE 157 CO 0.21 0.16 -0.03 -0.31 0.00 0.00 0.00 174.94 174.97 1qbi s TYR 158 N 1.26 3.00 -0.06 3.97 1.51 0.12 -0.08 117.35 127.07 1qbi s TYR 158 Ca 0.42 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1qbi s TYR 158 Cb -0.18 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.66 1qbi s TYR 158 CO 0.19 -0.23 -0.07 -0.47 -1.11 0.00 0.00 175.55 173.87 1qbi s TYR 159 N 0.82 0.98 -0.10 2.71 5.04 0.42 -0.80 117.35 126.43 1qbi s TYR 159 Ca -0.01 -0.32 -0.17 0.00 -2.44 0.00 0.00 57.07 54.13 1qbi s TYR 159 Cb -0.14 -0.81 -0.05 0.00 0.35 0.00 0.00 41.96 41.31 1qbi s TYR 159 CO 0.02 -0.24 0.44 0.95 -1.34 0.00 0.00 175.55 175.37 1qbi s THR 160 N 0.95 5.17 -0.18 4.34 -4.23 0.21 0.45 115.64 122.35 1qbi s THR 160 Ca -0.10 0.87 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1qbi s THR 160 Cb -0.15 -3.77 0.05 0.00 1.34 0.00 0.00 72.50 69.97 1qbi s THR 160 CO 0.00 0.38 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.93 1qbi s ILE 161 N 0.27 1.00 1.12 2.99 2.07 0.18 -0.14 121.20 128.70 1qbi s ILE 161 Ca 0.24 -0.66 -0.15 0.00 -1.41 0.00 0.00 60.65 58.67 1qbi s ILE 161 Cb -0.15 -1.26 0.25 0.00 0.13 0.00 0.00 42.46 41.43 1qbi s ILE 161 CO 0.10 0.03 1.07 -0.83 -1.91 0.00 0.00 174.94 173.40 1qbi s GLY 162 N 1.67 1.55 0.00 1.50 0.00 -0.57 0.26 107.32 111.72 1qbi s GLY 162 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1qbi s GLY 162 CO -0.07 0.23 1.00 2.09 0.00 0.00 0.00 173.10 176.35 1qbi n ASP 163 N -4.61 0.00 0.00 1.64 5.75 0.69 -0.94 116.55 119.08 1qbi n ASP 163 Ca 0.07 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1qbi n ASP 163 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1qbi n ASP 163 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qbi n GLN 164 N -0.50 -0.77 -0.60 0.11 1.13 -0.91 -2.59 117.38 113.24 1qbi n GLN 164 Ca 0.00 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1qbi n GLN 164 Cb 0.00 -3.94 0.00 0.00 0.11 0.00 0.00 30.24 26.41 1qbi n GLN 164 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qbi n GLY 165 N -1.17 0.76 3.75 1.08 0.00 -1.21 -4.30 105.19 104.10 1qbi n GLY 165 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1qbi n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbi n ARG 166 N -2.22 2.61 -1.35 1.61 1.74 -1.07 -2.23 116.66 115.74 1qbi n ARG 166 Ca 0.00 0.92 -0.01 0.00 -0.77 0.00 0.00 57.85 57.99 1qbi n ARG 166 Cb 0.00 -2.66 -0.00 0.00 -1.02 0.00 0.00 32.46 28.77 1qbi n ARG 166 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1qbi n ASN 167 N 1.49 -2.56 -3.67 0.55 5.15 -0.81 -4.77 115.26 110.65 1qbi n ASN 167 Ca 0.06 0.02 -0.15 0.00 -0.60 0.00 0.00 54.58 53.91 1qbi n ASN 167 Cb 0.37 -0.76 -0.08 0.00 -0.53 0.00 0.00 39.78 38.78 1qbi n ASN 167 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qbi s GLN 168 N -2.73 0.78 2.40 1.20 1.03 -0.95 -4.80 119.66 116.59 1qbi s GLN 168 Ca 0.00 0.13 0.00 0.00 0.04 0.00 0.00 55.36 55.53 1qbi s GLN 168 Cb 0.00 0.36 0.00 0.00 0.03 0.00 0.00 33.01 33.40 1qbi s GLN 168 CO 0.00 -0.21 0.00 1.28 -2.54 0.00 0.00 175.29 173.82 1qbi n LEU 169 N 1.45 0.00 0.33 2.60 4.77 -1.26 -1.48 117.00 123.41 1qbi n LEU 169 Ca -0.19 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.01 1qbi n LEU 169 Cb 0.56 0.00 1.16 0.00 -2.33 0.00 0.00 43.42 42.82 1qbi n LEU 169 CO 0.20 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.44 1qbi h ALA 170 N -0.30 1.07 -0.25 -1.18 0.00 -2.00 -1.22 119.26 115.38 1qbi h ALA 170 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1qbi h ALA 170 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1qbi h ALA 170 CO 0.00 0.00 -0.04 0.66 0.00 0.00 0.00 179.25 179.87 1qbi n TYR 171 N -3.18 0.83 -0.25 0.00 4.02 -0.55 -4.82 117.16 113.21 1qbi n TYR 171 Ca -0.03 -1.16 0.01 0.00 -0.01 0.00 0.00 57.90 56.71 1qbi n TYR 171 Cb 0.08 -0.35 0.08 0.00 -0.02 0.00 0.00 39.34 39.14 1qbi n TYR 171 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1qbi h LEU 172 N 1.23 -0.66 -0.84 7.72 5.85 -0.44 -1.58 115.31 126.58 1qbi h LEU 172 Ca 0.08 0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1qbi h LEU 172 Cb 1.44 0.45 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1qbi h LEU 172 CO 0.24 -0.24 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 1qbi n PHE 173 N -5.48 0.10 -3.02 1.25 3.01 -1.26 -3.40 117.46 108.66 1qbi n PHE 173 Ca 0.10 -0.05 -0.39 0.00 1.01 0.00 0.00 57.45 58.11 1qbi n PHE 173 Cb 0.37 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.79 1qbi n PHE 173 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1qbi s LEU 174 N -1.75 4.56 -0.00 4.37 1.43 -0.66 -3.81 118.68 122.83 1qbi s LEU 174 Ca 0.35 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.72 1qbi s LEU 174 Cb 0.18 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1qbi s LEU 174 CO 0.29 0.19 1.50 -2.16 0.23 0.00 0.00 176.35 176.40 1qbi s PRO 175 N -0.96 4.24 0.28 1.29 0.04 -1.26 -3.31 135.00 135.31 1qbi s PRO 175 Ca 0.35 2.08 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 1qbi s PRO 175 Cb -0.22 -3.67 -0.10 0.00 0.04 0.00 0.00 34.50 30.55 1qbi s PRO 175 CO 0.25 -0.67 1.38 1.21 0.04 0.00 0.00 177.00 179.21 1qbi s ASN 176 N 2.28 6.71 -0.04 6.66 3.84 -1.26 -4.92 114.94 128.22 1qbi s ASN 176 Ca 0.67 2.67 0.12 0.00 0.21 0.00 0.00 52.86 56.53 1qbi s ASN 176 Cb -0.33 -2.63 0.36 0.00 -0.55 0.00 0.00 41.25 38.10 1qbi s ASN 176 CO 0.28 -0.63 1.30 0.00 -2.79 0.00 0.00 177.10 175.25 1qbi n GLN 177 N 1.74 2.90 -0.08 0.43 6.02 -1.26 -4.63 117.38 122.50 1qbi n GLN 177 Ca 0.04 -2.23 0.11 0.00 -0.01 0.00 0.00 57.00 54.92 1qbi n GLN 177 Cb 0.41 -1.39 0.49 0.00 1.02 0.00 0.00 30.24 30.77 1qbi n GLN 177 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qbi h ALA 178 N 2.08 1.99 -0.00 -1.58 0.00 -1.83 -0.58 119.26 119.34 1qbi h ALA 178 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qbi h ALA 178 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1qbi h ALA 178 CO 0.05 -0.11 -0.34 1.04 0.00 0.00 0.00 179.25 179.88 1qbi n GLN 179 N -4.47 0.15 -3.24 0.00 1.13 -1.26 -1.38 117.38 108.31 1qbi n GLN 179 Ca 0.09 -0.07 -0.32 0.00 -1.94 0.00 0.00 57.00 54.76 1qbi n GLN 179 Cb 0.35 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.14 1qbi n GLN 179 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1qbi s HIS 180 N -2.90 3.39 0.07 1.08 3.76 -0.22 -4.95 115.29 115.51 1qbi s HIS 180 Ca 0.15 1.09 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 1qbi s HIS 180 Cb 0.18 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 1qbi s HIS 180 CO 0.63 0.15 -0.08 0.95 -0.85 0.00 0.00 174.74 175.55 1qbi s THR 181 N -1.93 0.64 0.43 1.30 -4.23 -1.26 -4.79 115.64 105.80 1qbi s THR 181 Ca 0.52 -1.47 -0.24 0.00 -1.18 0.00 0.00 61.69 59.32 1qbi s THR 181 Cb -0.11 -1.10 -0.08 0.00 1.34 0.00 0.00 72.50 72.55 1qbi s THR 181 CO 0.19 -0.59 1.14 -2.16 -0.54 0.00 0.00 174.62 172.65 1qbi s PRO 182 N -2.58 3.93 0.72 3.99 0.04 -1.26 -4.96 135.00 134.88 1qbi s PRO 182 Ca 0.00 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1qbi s PRO 182 Cb -0.03 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 32.04 1qbi s PRO 182 CO -0.02 -0.40 1.11 0.95 0.04 0.00 0.00 177.00 178.68 1qbi s THR 183 N -1.55 3.14 0.27 1.26 -4.23 -1.26 -4.79 115.64 108.48 1qbi s THR 183 Ca 0.61 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.42 1qbi s THR 183 Cb -0.27 -3.36 0.21 0.00 1.34 0.00 0.00 72.50 70.41 1qbi s THR 183 CO 0.34 -0.47 1.88 -0.61 -0.54 0.00 0.00 174.62 175.22 1qbi h GLN 184 N -0.72 1.06 -0.94 3.99 5.75 -1.96 -2.04 115.11 120.26 1qbi h GLN 184 Ca -0.45 -0.13 0.03 0.00 -0.15 0.00 0.00 58.65 57.95 1qbi h GLN 184 Cb 1.27 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 29.57 1qbi h GLN 184 CO 0.64 0.80 0.61 1.96 -2.65 0.00 0.00 178.83 180.20 1qbi h GLN 185 N 1.06 1.16 -0.45 1.69 4.20 -1.98 0.30 115.11 121.09 1qbi h GLN 185 Ca 0.26 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.79 1qbi h GLN 185 Cb 0.07 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1qbi h GLN 185 CO -0.04 0.77 -0.17 0.93 -0.67 0.00 0.00 178.83 179.65 1qbi h GLU 186 N 1.20 0.91 -0.72 1.46 5.08 -1.77 -1.27 114.58 119.46 1qbi h GLU 186 Ca 0.37 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qbi h GLU 186 Cb -0.02 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1qbi h GLU 186 CO -0.12 1.03 0.47 1.25 -1.00 0.00 0.00 179.01 180.64 1qbi h LEU 187 N 0.75 0.84 -1.15 1.33 5.85 -0.79 0.44 115.31 122.58 1qbi h LEU 187 Ca 0.11 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1qbi h LEU 187 Cb 0.73 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1qbi h LEU 187 CO 0.06 0.62 0.22 0.78 -0.34 0.00 0.00 178.44 179.78 1qbi h ASN 188 N 0.98 0.75 -0.12 1.25 -0.26 -0.14 -1.05 115.58 117.00 1qbi h ASN 188 Ca 0.26 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1qbi h ASN 188 Cb -0.09 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 36.98 1qbi h ASN 188 CO -0.05 0.67 0.00 0.61 -1.06 0.00 0.00 177.43 177.60 1qbi n GLY 189 N -1.05 0.06 3.34 2.83 0.00 -0.51 -4.90 105.19 104.96 1qbi n GLY 189 Ca 0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1qbi n GLY 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qbi n LYS 190 N 0.14 -5.84 -3.04 1.61 5.02 0.13 -4.92 118.16 111.27 1qbi n LYS 190 Ca 0.17 0.81 -0.44 0.00 -2.02 0.00 0.00 58.31 56.83 1qbi n LYS 190 Cb 0.30 -5.73 -0.04 0.00 -0.02 0.00 0.00 35.03 29.54 1qbi n LYS 190 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qbi s ASP 191 N -2.97 6.19 -0.51 4.39 3.68 0.13 -4.91 116.67 122.67 1qbi s ASP 191 Ca 0.45 -1.22 0.02 0.00 2.13 0.00 0.00 52.55 53.93 1qbi s ASP 191 Cb -0.20 -2.34 0.59 0.00 -1.45 0.00 0.00 42.92 39.51 1qbi s ASP 191 CO 0.55 -1.18 1.95 -1.22 0.13 0.00 0.00 175.17 175.39 1qbi n TYR 192 N 6.73 3.06 0.23 -5.34 0.53 -1.26 -4.46 117.16 116.66 1qbi n TYR 192 Ca -0.07 -2.20 0.09 0.00 -1.02 0.00 0.00 57.90 54.69 1qbi n TYR 192 Cb 0.44 -1.10 0.58 0.00 -1.03 0.00 0.00 39.34 38.23 1qbi n TYR 192 CO 0.00 0.00 0.00 1.12 -1.02 0.00 0.00 176.86 176.96 1qbi h HIS 193 N 1.30 0.00 -0.00 -0.72 2.07 -1.91 -0.77 115.15 115.12 1qbi h HIS 193 Ca 0.62 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.14 1qbi h HIS 193 Cb 2.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.16 1qbi h HIS 193 CO 1.52 0.20 -0.01 0.25 -3.07 0.00 0.00 177.93 176.82 1qbi n THR 194 N -3.82 0.00 -1.55 6.12 -2.24 -1.26 -4.27 114.28 107.26 1qbi n THR 194 Ca -0.02 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 1qbi n THR 194 Cb 0.30 -0.44 -0.02 0.00 -2.10 0.00 0.00 70.33 68.06 1qbi n THR 194 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1qbi n TYR 195 N -1.12 2.66 -4.69 4.78 0.53 -0.30 -4.69 117.16 114.33 1qbi n TYR 195 Ca 0.18 -3.02 -0.25 0.00 -1.02 0.00 0.00 57.90 53.79 1qbi n TYR 195 Cb 0.20 -2.37 -0.16 0.00 -1.03 0.00 0.00 39.34 35.98 1qbi n TYR 195 CO 0.00 0.00 0.00 -1.64 -1.02 0.00 0.00 176.86 174.20 1qbi s MET 196 N 1.67 1.70 -0.81 -0.72 -1.94 -1.26 -4.50 119.30 113.43 1qbi s MET 196 Ca 0.62 -0.50 -0.03 0.00 -1.71 0.00 0.00 55.69 54.07 1qbi s MET 196 Cb 0.17 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.58 1qbi s MET 196 CO -0.07 0.13 0.69 0.41 -0.01 0.00 0.00 175.02 176.18 1qbi n GLY 197 N 3.46 -0.03 3.27 -0.03 0.00 0.14 -3.69 105.19 108.31 1qbi n GLY 197 Ca -0.20 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1qbi n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbi s LYS 198 N -5.34 1.15 -0.24 1.61 -0.14 0.51 -1.54 119.74 115.76 1qbi s LYS 198 Ca 0.18 -1.54 -0.04 0.00 -1.36 0.00 0.00 55.97 53.21 1qbi s LYS 198 Cb -0.08 -0.48 -0.00 0.00 -1.68 0.00 0.00 37.83 35.59 1qbi s LYS 198 CO 0.46 -0.05 -0.03 0.08 -0.76 0.00 0.00 175.35 175.05 1qbi s VAL 199 N -3.49 3.40 0.11 3.17 1.01 -0.47 -0.65 120.40 123.49 1qbi s VAL 199 Ca 0.23 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 1qbi s VAL 199 Cb 0.05 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1qbi s VAL 199 CO 0.04 0.34 0.34 -0.76 0.00 0.00 0.00 175.10 175.06 1qbi s LEU 200 N 1.46 4.30 -0.18 3.92 1.43 0.17 0.14 118.68 129.92 1qbi s LEU 200 Ca 0.05 0.55 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1qbi s LEU 200 Cb -0.15 -3.16 0.04 0.00 0.03 0.00 0.00 46.19 42.95 1qbi s LEU 200 CO -0.03 0.10 -0.09 -0.60 0.23 0.00 0.00 176.35 175.97 1qbi s ARG 201 N -2.48 1.83 0.16 1.70 3.52 0.77 -0.43 118.95 124.02 1qbi s ARG 201 Ca 0.38 -0.71 0.10 0.00 -0.13 0.00 0.00 55.73 55.37 1qbi s ARG 201 Cb -0.12 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 1qbi s ARG 201 CO 0.24 -0.42 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.56 1qbi s LEU 202 N 1.48 2.38 0.80 -0.88 1.02 0.88 -4.50 118.68 119.86 1qbi s LEU 202 Ca -0.00 -0.81 -0.11 0.00 0.02 0.00 0.00 54.13 53.23 1qbi s LEU 202 Cb -0.16 -1.08 0.07 0.00 0.02 0.00 0.00 46.19 45.05 1qbi s LEU 202 CO -0.08 0.10 1.12 0.20 0.02 0.00 0.00 176.35 177.71 1qbi s ASN 203 N -2.39 4.08 0.62 2.29 0.01 -0.06 -0.60 114.94 118.89 1qbi s ASN 203 Ca 0.16 2.01 0.34 0.00 -0.71 0.00 0.00 52.86 54.66 1qbi s ASN 203 Cb -0.08 -2.55 1.96 0.00 0.41 0.00 0.00 41.25 40.99 1qbi s ASN 203 CO 0.07 -2.32 2.24 -0.07 -1.51 0.00 0.00 177.10 175.51 1qbi h LEU 204 N -1.12 0.00 -0.70 0.60 3.38 -1.89 0.26 115.31 115.84 1qbi h LEU 204 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1qbi h LEU 204 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1qbi h LEU 204 CO 0.49 0.00 -0.03 -0.90 0.09 0.00 0.00 178.44 178.09 1qbi n ASP 205 N -3.57 1.12 0.00 -0.43 5.68 -1.26 -4.91 116.55 113.18 1qbi n ASP 205 Ca -0.02 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 1qbi n ASP 205 Cb 0.14 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1qbi n ASP 205 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qbi n GLY 206 N 1.16 0.42 3.79 6.12 0.00 0.90 -4.71 105.19 112.88 1qbi n GLY 206 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1qbi n GLY 206 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qbi s SER 207 N -2.42 4.61 -0.15 1.61 1.04 -1.26 -4.65 113.70 112.49 1qbi s SER 207 Ca 0.00 1.50 -0.29 0.00 0.48 0.00 0.00 55.95 57.64 1qbi s SER 207 Cb 0.00 -2.27 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 1qbi s SER 207 CO 0.00 -1.92 1.13 -0.63 0.98 0.00 0.00 173.24 172.81 1qbi s ILE 208 N -3.05 4.49 0.10 -1.02 1.01 -1.26 -0.88 121.20 120.59 1qbi s ILE 208 Ca 0.60 1.80 -0.31 0.00 0.00 0.00 0.00 60.65 62.74 1qbi s ILE 208 Cb -0.15 -4.16 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 1qbi s ILE 208 CO 0.55 -0.10 1.72 -2.84 0.00 0.00 0.00 174.94 174.28 1qbi s PRO 209 N 2.86 4.17 0.63 2.79 0.02 -1.26 -4.86 135.00 139.35 1qbi s PRO 209 Ca 0.50 2.46 0.40 0.00 0.02 0.00 0.00 61.00 64.38 1qbi s PRO 209 Cb -0.20 -3.55 2.14 0.00 0.02 0.00 0.00 34.50 32.92 1qbi s PRO 209 CO 0.14 -0.77 2.29 0.87 -0.33 0.00 0.00 177.00 179.19 1qbi h LYS 210 N 8.28 0.00 -0.62 5.54 1.57 -1.97 -1.14 116.57 128.24 1qbi h LYS 210 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1qbi h LYS 210 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1qbi h LYS 210 CO 0.94 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.43 1qbi n ASP 211 N -3.23 5.24 -4.76 0.86 5.75 -1.26 -4.93 116.55 114.22 1qbi n ASP 211 Ca -0.02 -2.73 -0.33 0.00 -0.01 0.00 0.00 54.79 51.69 1qbi n ASP 211 Cb 0.12 -0.64 0.06 0.00 -1.03 0.00 0.00 41.12 39.62 1qbi n ASP 211 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1qbi s ASN 212 N -0.79 4.84 0.68 -1.12 -0.87 -0.43 -4.98 114.94 112.27 1qbi s ASN 212 Ca 0.51 2.10 -0.16 0.00 -1.57 0.00 0.00 52.86 53.74 1qbi s ASN 212 Cb 0.37 -2.56 0.01 0.00 -0.02 0.00 0.00 41.25 39.05 1qbi s ASN 212 CO 0.18 -1.82 1.19 -2.16 -2.57 0.00 0.00 177.10 171.93 1qbi s PRO 213 N -4.05 2.47 -0.11 -0.60 0.04 -1.26 -4.91 135.00 126.58 1qbi s PRO 213 Ca 0.69 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.31 1qbi s PRO 213 Cb -0.23 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1qbi s PRO 213 CO 0.43 -1.57 0.28 0.45 0.04 0.00 0.00 177.00 176.62 1qbi s SER 214 N -2.03 6.51 -0.10 6.66 0.15 -1.26 -4.28 113.70 119.35 1qbi s SER 214 Ca 0.74 0.61 0.02 0.00 0.70 0.00 0.00 55.95 58.01 1qbi s SER 214 Cb -0.28 -2.17 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1qbi s SER 214 CO 0.42 0.24 -0.14 -0.36 1.20 0.00 0.00 173.24 174.60 1qbi s PHE 215 N -0.33 1.82 -1.55 3.44 0.40 -0.40 -4.77 117.98 116.59 1qbi s PHE 215 Ca 0.18 -0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 55.54 1qbi s PHE 215 Cb -0.14 -1.33 0.11 0.00 0.51 0.00 0.00 43.02 42.17 1qbi s PHE 215 CO 0.06 -0.43 0.80 0.09 0.70 0.00 0.00 175.22 176.44 1qbi n ASN 216 N 4.16 -4.07 0.00 1.36 5.03 -1.26 -0.67 115.26 119.81 1qbi n ASN 216 Ca -0.19 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.48 1qbi n ASN 216 Cb 0.51 -3.30 0.00 0.00 -1.02 0.00 0.00 39.78 35.97 1qbi n ASN 216 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qbi n GLY 217 N -1.46 0.56 3.03 7.41 0.00 -1.26 -5.03 105.19 108.45 1qbi n GLY 217 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1qbi n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbi s VAL 218 N -2.28 1.08 -0.28 1.61 1.01 0.15 -5.03 120.40 116.67 1qbi s VAL 218 Ca 0.00 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1qbi s VAL 218 Cb 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1qbi s VAL 218 CO 0.00 0.33 0.51 -0.69 0.00 0.00 0.00 175.10 175.26 1qbi s VAL 219 N 0.45 5.06 0.00 2.92 1.01 -1.26 -1.28 120.40 127.29 1qbi s VAL 219 Ca -0.10 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1qbi s VAL 219 Cb -0.13 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1qbi s VAL 219 CO 0.03 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.61 1qbi n SER 220 N 5.58 1.25 0.07 3.32 3.41 -1.26 -5.00 113.62 120.99 1qbi n SER 220 Ca -0.04 -0.47 0.10 0.00 -0.26 0.00 0.00 58.87 58.20 1qbi n SER 220 Cb 0.50 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.87 1qbi n SER 220 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1qbi n HIS 221 N 0.00 0.43 -2.10 7.33 8.25 -1.26 -4.75 115.22 123.12 1qbi n HIS 221 Ca 0.00 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 1qbi n HIS 221 Cb 0.00 -0.76 -0.03 0.00 1.12 0.00 0.00 29.99 30.32 1qbi n HIS 221 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1qbi s ILE 222 N -3.15 3.09 -0.23 1.59 1.01 -1.26 -0.16 121.20 122.08 1qbi s ILE 222 Ca 0.07 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 61.38 1qbi s ILE 222 Cb 0.10 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 1qbi s ILE 222 CO 0.37 0.06 -0.30 0.00 0.00 0.00 0.00 174.94 175.07 1qbi n TYR 223 N 3.93 0.00 -4.21 3.97 9.36 0.12 -4.37 117.16 125.95 1qbi n TYR 223 Ca 0.12 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.22 1qbi n TYR 223 Cb 0.41 -0.84 -0.10 0.00 -0.63 0.00 0.00 39.34 38.18 1qbi n TYR 223 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1qbi s THR 224 N -2.43 0.86 0.35 2.97 -4.23 -0.80 -1.01 115.64 111.35 1qbi s THR 224 Ca -0.33 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 58.26 1qbi s THR 224 Cb 0.12 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 1qbi s THR 224 CO 0.41 -0.75 0.26 -1.48 -0.54 0.00 0.00 174.62 172.52 1qbi s LEU 225 N -3.11 1.81 -0.21 4.79 2.34 -0.78 -1.37 118.68 122.14 1qbi s LEU 225 Ca 0.16 -1.76 -0.01 0.00 0.06 0.00 0.00 54.13 52.58 1qbi s LEU 225 Cb 0.04 0.44 0.00 0.00 -0.56 0.00 0.00 46.19 46.12 1qbi s LEU 225 CO -0.01 -1.05 0.18 0.61 -1.06 0.00 0.00 176.35 175.02 1qbi n GLY 226 N -0.69 0.59 3.58 -3.48 0.00 -0.48 0.12 105.19 104.83 1qbi n GLY 226 Ca 0.05 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1qbi n GLY 226 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qbi s HIS 227 N -3.05 2.65 0.00 1.61 3.76 -0.59 -1.27 115.29 118.40 1qbi s HIS 227 Ca 0.07 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 1qbi s HIS 227 Cb -0.03 -1.30 0.00 0.00 1.11 0.00 0.00 32.58 32.36 1qbi s HIS 227 CO 0.12 0.51 0.00 -2.13 -0.85 0.00 0.00 174.74 172.39 1qbi n ARG 228 N 0.06 0.00 -3.40 1.40 0.63 -1.26 -4.21 116.66 109.88 1qbi n ARG 228 Ca -0.11 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.56 1qbi n ARG 228 Cb 0.55 -0.23 -0.09 0.00 0.45 0.00 0.00 32.46 33.14 1qbi n ARG 228 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1qbi n ASN 229 N -2.03 0.41 -4.56 6.15 5.15 -1.22 -0.22 115.26 118.94 1qbi n ASN 229 Ca 0.00 -2.64 -0.39 0.00 -0.60 0.00 0.00 54.58 50.95 1qbi n ASN 229 Cb 0.00 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 38.61 1qbi n ASN 229 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qbi s PRO 230 N -0.64 3.45 0.00 1.20 0.04 -1.26 -1.00 135.00 136.79 1qbi s PRO 230 Ca 0.33 -1.00 0.25 0.00 0.04 0.00 0.00 61.00 60.62 1qbi s PRO 230 Cb 0.07 -5.31 0.56 0.00 0.04 0.00 0.00 34.50 29.85 1qbi s PRO 230 CO -0.16 -2.37 1.44 1.04 0.04 0.00 0.00 177.00 177.00 1qbi n GLN 231 N 8.89 0.29 -4.95 4.56 6.02 -1.14 -4.57 117.38 126.48 1qbi n GLN 231 Ca 0.34 -0.17 -0.33 0.00 -0.01 0.00 0.00 57.00 56.83 1qbi n GLN 231 Cb 0.50 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.12 1qbi n GLN 231 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1qbi s GLY 232 N -2.83 1.46 -0.19 1.08 0.00 -0.96 -4.19 107.32 101.70 1qbi s GLY 232 Ca 0.15 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 43.87 1qbi s GLY 232 CO 0.65 -0.32 0.42 -2.27 0.00 0.00 0.00 173.10 171.57 1qbi s LEU 233 N 0.20 -0.51 -0.19 0.66 2.96 -1.26 -1.72 118.68 118.82 1qbi s LEU 233 Ca -0.10 0.96 -0.12 0.00 -0.22 0.00 0.00 54.13 54.65 1qbi s LEU 233 Cb -0.16 1.34 0.06 0.00 0.50 0.00 0.00 46.19 47.93 1qbi s LEU 233 CO 0.06 -0.22 0.47 0.00 -1.32 0.00 0.00 176.35 175.33 1qbi s ALA 234 N 2.31 -1.20 0.37 5.97 0.00 -0.01 -4.80 121.76 124.41 1qbi s ALA 234 Ca -0.04 1.61 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 1qbi s ALA 234 Cb -0.11 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 1qbi s ALA 234 CO -0.13 -0.27 0.92 -0.06 0.00 0.00 0.00 175.76 176.22 1qbi s PHE 235 N 1.15 3.48 0.58 0.00 0.40 -1.26 -0.59 117.98 121.74 1qbi s PHE 235 Ca -0.07 1.63 -0.00 0.00 -0.60 0.00 0.00 56.93 57.88 1qbi s PHE 235 Cb -0.07 -2.84 0.04 0.00 0.51 0.00 0.00 43.02 40.66 1qbi s PHE 235 CO -0.11 0.06 0.82 0.95 0.70 0.00 0.00 175.22 177.64 1qbi s THR 236 N -1.91 2.66 0.40 0.64 -4.23 0.73 -4.76 115.64 109.17 1qbi s THR 236 Ca 0.56 -0.58 0.39 0.00 -1.18 0.00 0.00 61.69 60.88 1qbi s THR 236 Cb -0.13 -3.02 0.42 0.00 1.34 0.00 0.00 72.50 71.10 1qbi s THR 236 CO 0.18 -0.02 2.19 -0.65 -0.54 0.00 0.00 174.62 175.78 1qbi h PRO 237 N -0.04 0.00 -0.49 3.99 0.11 -1.98 -0.75 132.00 132.84 1qbi h PRO 237 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1qbi h PRO 237 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1qbi h PRO 237 CO 0.54 0.01 0.01 0.27 -0.21 0.00 0.00 178.00 178.62 1qbi n ASN 238 N -3.11 5.16 0.00 -2.05 6.94 -1.26 -4.94 115.26 115.99 1qbi n ASN 238 Ca -0.01 -2.99 0.00 0.00 -0.02 0.00 0.00 54.58 51.56 1qbi n ASN 238 Cb 0.19 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 36.95 1qbi n ASN 238 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qbi n GLY 239 N 0.24 0.72 3.88 4.83 0.00 -0.29 -5.05 105.19 109.52 1qbi n GLY 239 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1qbi n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbi s LYS 240 N -0.28 3.54 -0.29 1.61 1.02 -1.26 -4.81 119.74 119.28 1qbi s LYS 240 Ca 0.00 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.66 1qbi s LYS 240 Cb 0.00 -2.12 0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1qbi s LYS 240 CO 0.00 -0.55 -0.04 -1.17 -0.92 0.00 0.00 175.35 172.66 1qbi s LEU 241 N -5.13 3.80 0.30 3.17 2.96 -1.26 -0.20 118.68 122.32 1qbi s LEU 241 Ca 0.54 -1.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.01 1qbi s LEU 241 Cb -0.11 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1qbi s LEU 241 CO 0.53 -0.25 0.48 -0.76 -1.32 0.00 0.00 176.35 175.03 1qbi s LEU 242 N 1.14 4.12 -0.01 -0.68 1.43 0.24 -0.17 118.68 124.74 1qbi s LEU 242 Ca -0.05 0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 1qbi s LEU 242 Cb -0.20 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.88 1qbi s LEU 242 CO -0.04 -0.21 0.40 -1.58 0.23 0.00 0.00 176.35 175.16 1qbi s GLN 243 N -4.11 0.79 0.10 1.70 -0.44 0.27 -0.83 119.66 117.15 1qbi s GLN 243 Ca 0.38 -0.12 0.08 0.00 -2.50 0.00 0.00 55.36 53.20 1qbi s GLN 243 Cb -0.10 0.36 -0.03 0.00 -1.64 0.00 0.00 33.01 31.59 1qbi s GLN 243 CO 0.33 -0.23 -0.20 -1.54 0.50 0.00 0.00 175.29 174.16 1qbi s SER 244 N -1.39 2.42 -0.12 6.67 1.04 -0.70 -0.35 113.70 121.28 1qbi s SER 244 Ca -0.12 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.50 1qbi s SER 244 Cb -0.03 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 65.99 1qbi s SER 244 CO 0.05 0.02 0.32 -0.70 0.98 0.00 0.00 173.24 173.91 1qbi s GLU 245 N -2.00 0.37 -0.01 4.02 2.12 0.29 -2.26 118.70 121.23 1qbi s GLU 245 Ca 0.06 0.45 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 1qbi s GLU 245 Cb -0.09 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 1qbi s GLU 245 CO 0.04 -0.05 0.92 -0.65 -0.54 0.00 0.00 175.26 174.99 1qbi s GLN 246 N 0.19 4.54 0.44 4.30 -0.21 -0.17 -0.37 119.66 128.37 1qbi s GLN 246 Ca -0.00 1.31 0.02 0.00 0.02 0.00 0.00 55.36 56.71 1qbi s GLN 246 Cb -0.02 -3.45 0.08 0.00 1.00 0.00 0.00 33.01 30.62 1qbi s GLN 246 CO 0.00 -0.01 0.60 0.41 -2.12 0.00 0.00 175.29 174.17 1qbi n GLY 247 N 2.91 1.17 0.00 3.09 0.00 -1.25 -3.37 105.19 107.74 1qbi n GLY 247 Ca 0.04 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1qbi n GLY 247 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1qbi n PRO 248 N -2.06 0.00 0.00 1.61 -0.04 -1.26 -4.68 135.00 128.57 1qbi n PRO 248 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1qbi n PRO 248 Cb 0.39 0.00 0.57 0.00 -0.04 0.00 0.00 33.50 34.42 1qbi n PRO 248 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qbi n ASN 249 N 0.00 0.07 -3.47 3.54 4.13 -1.26 -4.90 115.26 113.36 1qbi n ASN 249 Ca 0.00 0.42 -0.15 0.00 1.68 0.00 0.00 54.58 56.52 1qbi n ASN 249 Cb 0.00 -0.42 -0.06 0.00 -1.54 0.00 0.00 39.78 37.76 1qbi n ASN 249 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1qbi s SER 250 N -3.03 0.97 -1.31 6.41 1.04 -1.26 -2.96 113.70 113.56 1qbi s SER 250 Ca 0.14 -1.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.00 1qbi s SER 250 Cb 0.19 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.90 1qbi s SER 250 CO 0.55 -1.15 1.03 0.47 0.98 0.00 0.00 173.24 175.13 1qbi n ASP 251 N -1.21 -3.92 -4.73 7.02 8.00 0.11 -4.33 116.55 117.49 1qbi n ASP 251 Ca 0.03 -0.63 -0.36 0.00 0.71 0.00 0.00 54.79 54.53 1qbi n ASP 251 Cb 0.62 -4.82 0.07 0.00 -0.02 0.00 0.00 41.12 36.98 1qbi n ASP 251 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qbi s ASP 252 N -3.84 4.49 0.09 -2.24 1.01 -1.17 -3.87 116.67 111.14 1qbi s ASP 252 Ca 0.30 2.56 0.05 0.00 0.71 0.00 0.00 52.55 56.17 1qbi s ASP 252 Cb -0.14 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1qbi s ASP 252 CO 0.75 -2.08 -0.13 -1.61 0.21 0.00 0.00 175.17 172.32 1qbi s GLU 253 N -3.50 0.84 -0.25 8.23 2.02 0.50 -0.06 118.70 126.48 1qbi s GLU 253 Ca 0.81 -1.05 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 1qbi s GLU 253 Cb -0.36 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.16 1qbi s GLU 253 CO 0.41 0.14 -0.01 0.42 0.02 0.00 0.00 175.26 176.24 1qbi s ILE 254 N -1.75 3.41 0.20 -1.63 -1.09 -0.21 -0.55 121.20 119.57 1qbi s ILE 254 Ca 0.01 -0.71 0.10 0.00 -2.23 0.00 0.00 60.65 57.83 1qbi s ILE 254 Cb -0.07 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 1qbi s ILE 254 CO 0.02 0.25 -0.15 0.20 -1.23 0.00 0.00 174.94 174.02 1qbi s ASN 255 N 1.44 3.90 -0.30 3.58 0.01 0.53 -0.16 114.94 123.95 1qbi s ASN 255 Ca 0.03 -0.74 -0.11 0.00 -0.71 0.00 0.00 52.86 51.34 1qbi s ASN 255 Cb -0.16 -0.51 -0.03 0.00 0.41 0.00 0.00 41.25 40.96 1qbi s ASN 255 CO -0.02 0.10 0.18 -0.22 -1.51 0.00 0.00 177.10 175.63 1qbi s LEU 256 N -2.90 4.12 -0.34 0.60 2.96 -1.26 -0.56 118.68 121.29 1qbi s LEU 256 Ca 0.24 -0.25 -0.25 0.00 -0.22 0.00 0.00 54.13 53.65 1qbi s LEU 256 Cb -0.08 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1qbi s LEU 256 CO 0.13 -0.13 0.89 -0.63 -1.32 0.00 0.00 176.35 175.30 1qbi s ILE 257 N 1.71 4.65 -0.12 6.68 -1.09 0.76 -5.01 121.20 128.77 1qbi s ILE 257 Ca 0.06 1.23 0.01 0.00 -2.23 0.00 0.00 60.65 59.73 1qbi s ILE 257 Cb -0.16 -4.28 -0.01 0.00 -1.58 0.00 0.00 42.46 36.43 1qbi s ILE 257 CO 0.09 -0.44 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.51 1qbi s VAL 258 N 3.31 2.72 -0.07 2.92 1.01 -1.26 -4.37 120.40 124.66 1qbi s VAL 258 Ca 0.37 -0.78 -0.39 0.00 0.00 0.00 0.00 61.98 61.18 1qbi s VAL 258 Cb -0.13 -2.11 -0.17 0.00 0.00 0.00 0.00 36.38 33.97 1qbi s VAL 258 CO 0.16 0.54 1.45 1.17 0.00 0.00 0.00 175.10 178.42 1qbi n LYS 259 N 3.53 0.96 -0.99 2.72 4.81 -1.26 -0.57 118.16 127.37 1qbi n LYS 259 Ca -0.18 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1qbi n LYS 259 Cb 0.53 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1qbi n LYS 259 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qbi n GLY 260 N 3.00 0.83 3.78 3.14 0.00 -0.18 -5.00 105.19 110.75 1qbi n GLY 260 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1qbi n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qbi s GLY 261 N -2.00 2.38 -0.25 -0.02 0.00 0.27 -4.89 107.32 102.81 1qbi s GLY 261 Ca 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 1qbi s GLY 261 CO 0.00 1.00 0.00 0.21 0.00 0.00 0.00 173.10 174.32 1qbi s ASN 262 N -2.22 4.65 -0.05 1.64 3.84 0.03 -1.87 114.94 120.97 1qbi s ASN 262 Ca 0.69 -0.56 0.12 0.00 0.21 0.00 0.00 52.86 53.32 1qbi s ASN 262 Cb -0.21 -1.79 0.43 0.00 -0.55 0.00 0.00 41.25 39.13 1qbi s ASN 262 CO 0.34 -0.09 1.31 -1.22 -2.79 0.00 0.00 177.10 174.64 1qbi n TYR 263 N 4.81 0.83 0.00 0.43 4.02 0.12 -0.21 117.16 127.16 1qbi n TYR 263 Ca -0.16 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.38 1qbi n TYR 263 Cb 0.49 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1qbi n TYR 263 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qbi n GLY 264 N 0.94 2.75 3.77 2.72 0.00 -1.16 -4.79 105.19 109.42 1qbi n GLY 264 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1qbi n GLY 264 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qbi s TRP 265 N -0.62 2.87 -2.49 1.61 -0.11 -0.40 -0.65 118.94 119.17 1qbi s TRP 265 Ca 0.00 1.35 0.23 0.00 1.22 0.00 0.00 56.10 58.90 1qbi s TRP 265 Cb 0.00 -3.77 0.50 0.00 -1.50 0.00 0.00 33.47 28.70 1qbi s TRP 265 CO 0.00 -2.21 1.44 -0.35 -4.62 0.00 0.00 176.95 171.20 1qbi n PRO 266 N 0.57 2.26 0.16 5.86 -0.04 -1.26 -4.08 135.00 138.46 1qbi n PRO 266 Ca 0.01 -1.88 0.01 0.00 -0.04 0.00 0.00 63.50 61.60 1qbi n PRO 266 Cb 0.41 -1.47 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 1qbi n PRO 266 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1qbi h ASN 267 N 3.83 0.07 -3.49 3.54 2.35 -1.30 -3.43 115.58 117.15 1qbi h ASN 267 Ca 0.00 -0.02 -0.42 0.00 -0.55 0.00 0.00 56.30 55.30 1qbi h ASN 267 Cb 0.84 -0.02 -0.33 0.00 0.05 0.00 0.00 38.32 38.86 1qbi h ASN 267 CO 0.00 0.45 -0.78 -0.69 -1.65 0.00 0.00 177.43 174.77 1qbi s VAL 268 N -4.15 0.63 -0.32 2.81 1.01 0.13 -4.19 120.40 116.33 1qbi s VAL 268 Ca -0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1qbi s VAL 268 Cb 0.14 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1qbi s VAL 268 CO 0.74 0.24 0.10 0.00 0.00 0.00 0.00 175.10 176.18 1qbi s ALA 269 N 0.79 3.09 0.00 5.51 0.00 -1.26 -3.15 121.76 126.73 1qbi s ALA 269 Ca -0.11 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1qbi s ALA 269 Cb -0.14 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1qbi s ALA 269 CO 0.01 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.06 1qbi n GLY 270 N 4.86 0.66 3.79 0.00 0.00 -1.26 -4.76 105.19 108.48 1qbi n GLY 270 Ca -0.13 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1qbi n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbi s TYR 271 N 0.00 2.85 -1.26 1.61 1.51 -1.26 -4.49 117.35 116.30 1qbi s TYR 271 Ca 0.00 1.50 -0.16 0.00 -1.01 0.00 0.00 57.07 57.40 1qbi s TYR 271 Cb 0.00 -3.00 0.11 0.00 -0.11 0.00 0.00 41.96 38.96 1qbi s TYR 271 CO 0.00 -1.45 1.62 0.21 -1.11 0.00 0.00 175.55 174.82 1qbi s LYS 272 N -4.66 4.03 0.00 -0.62 2.20 -1.26 -4.55 119.74 114.87 1qbi s LYS 272 Ca 0.61 -2.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.00 1qbi s LYS 272 Cb -0.16 -5.35 0.00 0.00 -1.51 0.00 0.00 37.83 30.80 1qbi s LYS 272 CO 0.50 -2.07 0.26 -0.40 -0.36 0.00 0.00 175.35 173.28 1qbi n ASP 273 N 7.32 0.53 -2.95 1.43 5.68 -1.26 -4.89 116.55 122.42 1qbi n ASP 273 Ca 0.44 -0.84 -0.19 0.00 -0.50 0.00 0.00 54.79 53.70 1qbi n ASP 273 Cb 0.45 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 1qbi n ASP 273 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1qbi n ASP 274 N -0.17 -4.29 -4.07 -1.12 9.92 -1.26 -4.93 116.55 110.63 1qbi n ASP 274 Ca 0.00 -0.15 -0.32 0.00 -0.53 0.00 0.00 54.79 53.79 1qbi n ASP 274 Cb 0.06 -3.56 -0.15 0.00 -0.64 0.00 0.00 41.12 36.83 1qbi n ASP 274 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1qbi s SER 275 N -2.45 4.57 0.00 -2.24 0.15 -1.26 -4.74 113.70 107.73 1qbi s SER 275 Ca 0.23 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.29 1qbi s SER 275 Cb -0.12 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1qbi s SER 275 CO 0.28 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1qbi n GLY 276 N 4.40 1.02 3.25 9.45 0.00 -1.18 -4.50 105.19 117.63 1qbi n GLY 276 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1qbi n GLY 276 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qbi s TYR 277 N -3.76 -0.25 0.03 1.61 5.04 -1.26 -4.77 117.35 113.99 1qbi s TYR 277 Ca 0.00 0.47 -0.09 0.00 -2.44 0.00 0.00 57.07 55.01 1qbi s TYR 277 Cb 0.00 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1qbi s TYR 277 CO 0.00 -0.34 0.18 0.00 -1.34 0.00 0.00 175.55 174.05 1qbi s ALA 278 N -0.93 -0.36 -0.54 3.97 0.00 -0.84 -4.66 121.76 118.39 1qbi s ALA 278 Ca -0.10 -0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 1qbi s ALA 278 Cb -0.04 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.35 1qbi s ALA 278 CO 0.03 -0.32 0.81 -0.47 0.00 0.00 0.00 175.76 175.82 1qbi s TYR 279 N -2.24 2.89 -0.41 0.00 5.04 -0.29 -4.04 117.35 118.32 1qbi s TYR 279 Ca -0.08 -0.27 -0.16 0.00 -2.44 0.00 0.00 57.07 54.13 1qbi s TYR 279 Cb -0.03 -3.87 0.02 0.00 0.35 0.00 0.00 41.96 38.43 1qbi s TYR 279 CO -0.02 -1.24 0.34 0.00 -1.34 0.00 0.00 175.55 173.29 1qbi s ALA 280 N 3.40 3.47 -0.80 3.97 0.00 -1.26 -0.58 121.76 129.96 1qbi s ALA 280 Ca 0.23 -1.63 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 1qbi s ALA 280 Cb -0.16 -2.93 0.14 0.00 0.00 0.00 0.00 23.12 20.17 1qbi s ALA 280 CO 0.16 -1.47 0.94 1.21 0.00 0.00 0.00 175.76 176.61 1qbi s ASN 281 N 1.72 6.51 0.51 0.00 2.47 -0.36 -4.89 114.94 120.89 1qbi s ASN 281 Ca 0.07 -1.92 0.17 0.00 0.42 0.00 0.00 52.86 51.60 1qbi s ASN 281 Cb -0.18 -2.34 1.25 0.00 -1.45 0.00 0.00 41.25 38.52 1qbi s ASN 281 CO 0.11 -1.02 2.11 1.88 -3.72 0.00 0.00 177.10 176.46 1qbi h TYR 282 N 8.79 0.00 0.00 0.43 -1.99 -1.87 -0.58 116.97 121.75 1qbi h TYR 282 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1qbi h TYR 282 Cb 1.05 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.78 1qbi h TYR 282 CO 1.05 0.05 -0.02 0.66 -0.00 0.00 0.00 178.16 179.89 1qbi h SER 283 N 0.00 0.00 -0.59 3.88 4.64 -1.72 0.94 113.55 120.70 1qbi h SER 283 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qbi h SER 283 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1qbi h SER 283 CO 0.01 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1qbi n ALA 284 N -2.20 2.61 -1.61 5.18 0.00 -0.23 -4.94 120.51 119.32 1qbi n ALA 284 Ca -0.03 -1.44 -0.33 0.00 0.00 0.00 0.00 53.44 51.65 1qbi n ALA 284 Cb 0.12 -0.83 0.02 0.00 0.00 0.00 0.00 19.45 18.77 1qbi n ALA 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qbi s ALA 285 N -1.40 2.62 0.55 0.00 0.00 0.32 -4.58 121.76 119.26 1qbi s ALA 285 Ca 0.44 0.51 0.23 0.00 0.00 0.00 0.00 51.96 53.14 1qbi s ALA 285 Cb 0.26 -3.28 1.46 0.00 0.00 0.00 0.00 23.12 21.55 1qbi s ALA 285 CO 0.25 -1.00 2.12 0.00 0.00 0.00 0.00 175.76 177.13 1qbi h ALA 286 N 0.36 2.02 -2.73 0.00 0.00 -0.98 -3.45 119.26 114.48 1qbi h ALA 286 Ca -0.47 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.50 1qbi h ALA 286 Cb 1.24 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1qbi h ALA 286 CO 0.56 -0.22 0.32 0.54 0.00 0.00 0.00 179.25 180.45 1qbi s ASN 287 N -6.47 -0.37 0.00 0.00 2.20 -1.26 -5.05 114.94 103.99 1qbi s ASN 287 Ca -0.05 -0.24 0.11 0.00 -0.94 0.00 0.00 52.86 51.74 1qbi s ASN 287 Cb 0.17 0.57 0.47 0.00 -2.00 0.00 0.00 41.25 40.46 1qbi s ASN 287 CO 0.64 -0.99 1.33 0.29 -2.94 0.00 0.00 177.10 175.43 1qbi n LYS 288 N -0.39 1.35 0.00 3.55 5.02 -1.26 -3.60 118.16 122.83 1qbi n LYS 288 Ca -0.10 -0.53 0.12 0.00 -2.02 0.00 0.00 58.31 55.78 1qbi n LYS 288 Cb 0.62 -1.21 0.27 0.00 -0.02 0.00 0.00 35.03 34.69 1qbi n LYS 288 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1qbi n SER 289 N -0.14 0.92 -4.77 4.39 2.88 -1.26 -4.91 113.62 110.73 1qbi n SER 289 Ca 0.09 -0.73 -0.39 0.00 -1.33 0.00 0.00 58.87 56.51 1qbi n SER 289 Cb 0.15 0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.85 1qbi n SER 289 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1qbi s ILE 290 N -2.70 2.89 0.06 2.46 1.01 -1.24 -5.01 121.20 118.67 1qbi s ILE 290 Ca 0.18 0.81 -0.07 0.00 0.00 0.00 0.00 60.65 61.58 1qbi s ILE 290 Cb 0.18 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1qbi s ILE 290 CO 0.61 0.13 0.32 -0.54 0.00 0.00 0.00 174.94 175.46 1qbi s LYS 291 N -2.09 3.63 -0.45 2.79 -0.14 -1.26 -5.06 119.74 117.16 1qbi s LYS 291 Ca 0.54 -0.03 -0.24 0.00 -1.36 0.00 0.00 55.97 54.87 1qbi s LYS 291 Cb -0.35 -3.01 0.03 0.00 -1.68 0.00 0.00 37.83 32.82 1qbi s LYS 291 CO 0.46 0.58 0.85 0.34 -0.76 0.00 0.00 175.35 176.82 1qbi s ASP 292 N -1.92 6.46 0.16 2.83 -1.08 -1.26 -4.34 116.67 117.51 1qbi s ASP 292 Ca 0.32 0.01 0.15 0.00 -0.52 0.00 0.00 52.55 52.51 1qbi s ASP 292 Cb -0.13 -2.42 0.71 0.00 -1.46 0.00 0.00 42.92 39.62 1qbi s ASP 292 CO 0.19 -0.97 1.46 0.18 0.52 0.00 0.00 175.17 176.55 1qbi n LEU 293 N 6.91 0.33 -3.42 -1.34 4.77 -1.26 -4.86 117.00 118.14 1qbi n LEU 293 Ca 0.04 0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 56.40 1qbi n LEU 293 Cb 0.48 -0.62 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1qbi n LEU 293 CO 0.61 -0.60 0.15 0.00 -1.33 0.00 0.00 177.39 176.22 1qbi n ALA 294 N -1.65 -1.19 -1.08 -1.18 0.00 -1.26 -4.86 120.51 109.29 1qbi n ALA 294 Ca 0.01 0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.82 1qbi n ALA 294 Cb 0.10 -4.89 0.28 0.00 0.00 0.00 0.00 19.45 14.94 1qbi n ALA 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qbi n GLN 295 N -4.65 3.17 -2.06 0.00 1.13 -1.26 -4.93 117.38 108.78 1qbi n GLN 295 Ca -0.03 -3.01 -0.18 0.00 -1.94 0.00 0.00 57.00 51.84 1qbi n GLN 295 Cb 0.58 -1.99 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 1qbi n GLN 295 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1qbi n ASN 296 N -0.40 -5.22 0.00 1.08 5.15 -1.26 -1.32 115.26 113.28 1qbi n ASN 296 Ca 0.30 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 1qbi n ASN 296 Cb 1.09 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 36.04 1qbi n ASN 296 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qbi n GLY 297 N -0.93 1.68 0.20 8.20 0.00 -1.26 -2.00 105.19 111.09 1qbi n GLY 297 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1qbi n GLY 297 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1qbi h VAL 298 N 0.00 1.33 -3.37 1.61 2.07 -1.47 -3.39 116.25 113.03 1qbi h VAL 298 Ca 0.00 -1.98 -0.47 0.00 0.82 0.00 0.00 66.70 65.07 1qbi h VAL 298 Cb 0.00 1.95 -0.35 0.00 -1.52 0.00 0.00 31.29 31.38 1qbi h VAL 298 CO 0.00 0.61 -0.79 -0.54 0.02 0.00 0.00 177.57 176.87 1qbi s LYS 299 N -3.79 1.24 0.10 1.57 1.02 -1.25 -5.05 119.74 113.58 1qbi s LYS 299 Ca -0.07 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.73 1qbi s LYS 299 Cb 0.10 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.19 1qbi s LYS 299 CO 0.86 -0.10 -0.10 0.14 -0.92 0.00 0.00 175.35 175.23 1qbi s VAL 300 N 1.09 0.91 0.68 3.17 -7.23 -1.26 -4.33 120.40 113.44 1qbi s VAL 300 Ca -0.08 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.27 1qbi s VAL 300 Cb -0.14 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.43 1qbi s VAL 300 CO -0.01 -0.59 1.17 0.00 -0.31 0.00 0.00 175.10 175.36 1qbi s ALA 301 N -2.55 2.30 0.40 1.32 0.00 -1.26 -4.95 121.76 117.01 1qbi s ALA 301 Ca 0.06 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.54 1qbi s ALA 301 Cb -0.02 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1qbi s ALA 301 CO -0.00 -1.56 1.48 0.00 0.00 0.00 0.00 175.76 175.67 1qbi s ALA 302 N -2.04 3.49 0.00 0.00 0.00 -1.26 -3.39 121.76 118.55 1qbi s ALA 302 Ca 0.72 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1qbi s ALA 302 Cb -0.26 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1qbi s ALA 302 CO 0.42 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1qbi n GLY 303 N 0.48 0.51 3.36 0.00 0.00 -1.26 -4.94 105.19 103.33 1qbi n GLY 303 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1qbi n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbi s VAL 304 N -2.00 3.32 0.16 1.61 0.11 -1.22 -0.30 120.40 122.08 1qbi s VAL 304 Ca 0.00 -0.54 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 1qbi s VAL 304 Cb 0.00 -2.46 -0.09 0.00 -1.53 0.00 0.00 36.38 32.31 1qbi s VAL 304 CO 0.00 0.47 1.38 -2.16 -3.33 0.00 0.00 175.10 171.46 1qbi s PRO 305 N 0.90 4.33 -0.05 1.54 0.05 -1.26 -4.85 135.00 135.66 1qbi s PRO 305 Ca -0.02 2.11 0.06 0.00 0.05 0.00 0.00 61.00 63.21 1qbi s PRO 305 Cb -0.15 -3.21 -0.01 0.00 0.05 0.00 0.00 34.50 31.18 1qbi s PRO 305 CO 0.01 -0.38 -0.24 0.08 0.05 0.00 0.00 177.00 176.51 1qbi s VAL 306 N 0.62 2.14 -0.10 -0.36 1.01 -1.26 -1.22 120.40 121.22 1qbi s VAL 306 Ca 0.61 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1qbi s VAL 306 Cb -0.38 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1qbi s VAL 306 CO 0.35 0.57 -0.20 -0.89 0.00 0.00 0.00 175.10 174.93 1qbi s THR 307 N -0.33 1.83 0.77 3.92 2.01 0.26 -4.96 115.64 119.14 1qbi s THR 307 Ca 0.01 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 1qbi s THR 307 Cb -0.12 -1.61 0.06 0.00 0.01 0.00 0.00 72.50 70.83 1qbi s THR 307 CO 0.02 0.51 1.11 -0.54 -0.69 0.00 0.00 174.62 175.03 1qbi s LYS 308 N 0.59 2.20 0.41 4.92 1.02 -1.26 -1.13 119.74 126.49 1qbi s LYS 308 Ca -0.14 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.22 1qbi s LYS 308 Cb -0.17 -1.88 0.88 0.00 -0.52 0.00 0.00 37.83 36.14 1qbi s LYS 308 CO 0.04 -1.70 2.03 0.93 -0.92 0.00 0.00 175.35 175.73 1qbi h GLU 309 N -0.97 0.42 0.00 1.68 5.08 -1.83 -0.89 114.58 118.07 1qbi h GLU 309 Ca -0.44 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1qbi h GLU 309 Cb 1.24 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1qbi h GLU 309 CO 0.51 0.33 0.00 -1.13 -1.00 0.00 0.00 179.01 177.72 1qbi n SER 310 N -4.43 0.13 0.03 1.42 3.41 -1.26 -2.69 113.62 110.22 1qbi n SER 310 Ca 0.02 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1qbi n SER 310 Cb 0.11 -0.55 0.05 0.00 -0.26 0.00 0.00 64.21 63.56 1qbi n SER 310 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qbi n GLU 311 N -1.63 0.26 -1.89 4.33 1.02 -0.34 -4.92 120.64 117.46 1qbi n GLU 311 Ca 0.05 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 1qbi n GLU 311 Cb 0.29 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1qbi n GLU 311 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1qbi s TRP 312 N -3.17 2.91 -0.94 -0.32 -0.00 -1.10 -4.93 118.94 111.39 1qbi s TRP 312 Ca 0.05 0.83 -0.15 0.00 -0.00 0.00 0.00 56.10 56.83 1qbi s TRP 312 Cb 0.15 -3.96 0.20 0.00 -0.00 0.00 0.00 33.47 29.86 1qbi s TRP 312 CO 0.79 -3.25 0.99 0.95 -0.00 0.00 0.00 176.95 176.42 1qbi s THR 313 N 0.22 5.37 0.16 5.86 -4.23 -1.26 -5.01 115.64 116.74 1qbi s THR 313 Ca 0.63 -2.38 0.05 0.00 -1.18 0.00 0.00 61.69 58.81 1qbi s THR 313 Cb -0.45 -4.62 -0.04 0.00 1.34 0.00 0.00 72.50 68.73 1qbi s THR 313 CO 0.43 -1.25 0.14 -0.83 -0.54 0.00 0.00 174.62 172.58 1qbi s GLY 314 N 2.52 1.73 -0.05 3.99 0.00 -1.26 -5.13 107.32 109.11 1qbi s GLY 314 Ca 0.26 -1.19 0.05 0.00 0.00 0.00 0.00 44.72 43.84 1qbi s GLY 314 CO -0.08 -1.20 -0.19 1.25 0.00 0.00 0.00 173.10 172.87 1qbi s LYS 315 N -3.08 2.04 -1.30 2.90 2.20 -1.26 -4.78 119.74 116.46 1qbi s LYS 315 Ca 0.31 -0.69 -0.01 0.00 -0.36 0.00 0.00 55.97 55.22 1qbi s LYS 315 Cb -0.10 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 1qbi s LYS 315 CO 0.24 0.27 0.15 0.09 -0.36 0.00 0.00 175.35 175.74 1qbi n ASN 316 N 3.14 -4.84 -4.70 1.43 4.13 -1.26 -4.51 115.26 108.65 1qbi n ASN 316 Ca -0.18 -0.08 -0.42 0.00 1.68 0.00 0.00 54.58 55.58 1qbi n ASN 316 Cb 0.53 -3.87 -0.03 0.00 -1.54 0.00 0.00 39.78 34.86 1qbi n ASN 316 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1qbi s PHE 317 N -2.87 2.66 -0.20 3.10 5.36 -1.25 -0.79 117.98 123.99 1qbi s PHE 317 Ca 0.08 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 1qbi s PHE 317 Cb -0.03 -3.95 0.01 0.00 -0.34 0.00 0.00 43.02 38.71 1qbi s PHE 317 CO 0.09 -3.71 -0.14 0.08 -1.46 0.00 0.00 175.22 170.08 1qbi s VAL 318 N 2.08 2.53 0.64 3.12 1.01 0.71 -4.90 120.40 125.60 1qbi s VAL 318 Ca 0.73 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1qbi s VAL 318 Cb -0.41 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1qbi s VAL 318 CO 0.32 0.46 1.04 -2.16 0.00 0.00 0.00 175.10 174.77 1qbi s PRO 319 N 1.35 3.31 0.70 2.72 0.04 -1.26 -4.59 135.00 137.27 1qbi s PRO 319 Ca 0.05 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 1qbi s PRO 319 Cb -0.14 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1qbi s PRO 319 CO -0.09 -0.80 1.11 -1.25 0.04 0.00 0.00 177.00 176.01 1qbi s PRO 320 N -4.94 2.57 0.18 0.56 0.04 -1.26 -4.80 135.00 127.35 1qbi s PRO 320 Ca 0.57 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 1qbi s PRO 320 Cb -0.13 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.55 1qbi s PRO 320 CO 0.51 -1.42 1.44 -0.07 0.04 0.00 0.00 177.00 177.50 1qbi h LEU 321 N -0.39 0.50 -7.23 -3.56 3.38 -0.90 -3.46 115.31 103.65 1qbi h LEU 321 Ca -0.46 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.09 1qbi h LEU 321 Cb 1.24 -0.15 -0.24 0.00 0.09 0.00 0.00 40.66 41.61 1qbi h LEU 321 CO 0.53 1.06 -0.17 -0.75 0.09 0.00 0.00 178.44 179.20 1qbi s LYS 322 N -3.65 0.54 -0.06 1.13 2.20 -1.13 -4.78 119.74 114.00 1qbi s LYS 322 Ca -0.06 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1qbi s LYS 322 Cb 0.10 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1qbi s LYS 322 CO 0.84 -0.08 -0.04 0.95 -0.36 0.00 0.00 175.35 176.66 1qbi s THR 323 N 0.43 3.92 -0.54 3.43 -4.23 -1.26 -1.05 115.64 116.34 1qbi s THR 323 Ca -0.01 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.08 1qbi s THR 323 Cb -0.04 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1qbi s THR 323 CO -0.02 0.55 0.40 -0.76 -0.54 0.00 0.00 174.62 174.26 1qbi s LEU 324 N -0.99 2.93 0.35 4.79 1.43 0.91 -1.63 118.68 126.48 1qbi s LEU 324 Ca 0.14 -3.40 0.05 0.00 -1.03 0.00 0.00 54.13 49.89 1qbi s LEU 324 Cb -0.11 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.11 1qbi s LEU 324 CO 0.03 -0.14 0.20 -0.31 0.23 0.00 0.00 176.35 176.37 1qbi s TYR 325 N -0.59 1.72 -0.12 0.29 1.51 0.01 -3.05 117.35 117.13 1qbi s TYR 325 Ca 0.29 -1.47 -0.00 0.00 -1.01 0.00 0.00 57.07 54.87 1qbi s TYR 325 Cb -0.01 -0.90 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1qbi s TYR 325 CO -0.18 -0.60 -0.10 0.99 -1.11 0.00 0.00 175.55 174.55 1qbi s THR 326 N -3.40 3.32 0.38 -0.71 2.01 0.16 0.05 115.64 117.44 1qbi s THR 326 Ca 0.33 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1qbi s THR 326 Cb 0.03 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 1qbi s THR 326 CO 0.21 0.54 0.06 0.68 -0.69 0.00 0.00 174.62 175.42 1qbi s VAL 327 N 0.04 1.14 0.47 3.82 -7.23 -1.26 -4.57 120.40 112.82 1qbi s VAL 327 Ca -0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1qbi s VAL 327 Cb -0.14 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.17 1qbi s VAL 327 CO 0.04 0.00 0.68 -1.10 -0.31 0.00 0.00 175.10 174.40 1qbi s GLN 328 N -3.82 2.81 0.59 4.82 -0.21 -1.26 -3.08 119.66 119.50 1qbi s GLN 328 Ca 0.30 -0.80 0.30 0.00 0.02 0.00 0.00 55.36 55.19 1qbi s GLN 328 Cb 0.07 -2.59 1.85 0.00 1.00 0.00 0.00 33.01 33.34 1qbi s GLN 328 CO 0.14 -0.42 2.26 -0.44 -2.12 0.00 0.00 175.29 174.71 1qbi h ASP 329 N 0.35 0.00 0.95 5.90 3.32 -1.88 -1.24 116.42 123.81 1qbi h ASP 329 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1qbi h ASP 329 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1qbi h ASP 329 CO 0.53 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.40 1qbi n THR 330 N -3.81 0.31 -1.63 0.35 -2.24 -1.26 -4.88 114.28 101.12 1qbi n THR 330 Ca -0.03 0.02 -0.45 0.00 -2.27 0.00 0.00 64.05 61.32 1qbi n THR 330 Cb 0.08 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 67.65 1qbi n THR 330 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qbi n TYR 331 N -1.63 1.74 -3.06 4.78 9.36 -0.47 -4.91 117.16 122.97 1qbi n TYR 331 Ca 0.06 0.58 -0.43 0.00 3.32 0.00 0.00 57.90 61.43 1qbi n TYR 331 Cb 0.31 -2.35 -0.05 0.00 -0.63 0.00 0.00 39.34 36.61 1qbi n TYR 331 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1qbi s ASN 332 N -0.09 6.25 0.00 2.98 3.84 -1.26 -4.88 114.94 121.78 1qbi s ASN 332 Ca 0.65 -0.79 0.29 0.00 0.21 0.00 0.00 52.86 53.22 1qbi s ASN 332 Cb -0.70 -2.34 1.44 0.00 -0.55 0.00 0.00 41.25 39.10 1qbi s ASN 332 CO 0.55 -1.02 2.01 -1.22 -2.79 0.00 0.00 177.10 174.63 1qbi n TYR 333 N 6.59 0.00 -3.62 0.43 4.02 -1.26 -4.99 117.16 118.33 1qbi n TYR 333 Ca -0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.57 1qbi n TYR 333 Cb 0.46 -0.33 -0.11 0.00 -0.02 0.00 0.00 39.34 39.34 1qbi n TYR 333 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1qbi s ASN 334 N -2.65 2.94 0.00 7.72 0.01 -1.26 -4.86 114.94 116.83 1qbi s ASN 334 Ca 0.25 -3.39 0.00 0.00 -0.71 0.00 0.00 52.86 49.01 1qbi s ASN 334 Cb 0.20 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1qbi s ASN 334 CO 0.46 -0.14 0.00 0.00 -1.51 0.00 0.00 177.10 175.92 1qbi s TRP 346 N -0.71 1.97 -1.33 0.00 0.51 -1.26 -4.83 118.94 113.29 1qbi s TRP 346 Ca 0.00 1.58 -0.10 0.00 -2.12 0.00 0.00 56.10 55.46 1qbi s TRP 346 Cb 0.00 -3.57 -0.07 0.00 -0.81 0.00 0.00 33.47 29.03 1qbi s TRP 346 CO 0.00 -2.82 2.53 -0.35 -0.51 0.00 0.00 176.95 175.80 1qbi n PRO 347 N -2.60 2.93 -4.24 4.98 -0.04 -1.16 -4.79 135.00 130.09 1qbi n PRO 347 Ca 0.14 -2.00 -0.14 0.00 -0.04 0.00 0.00 63.50 61.47 1qbi n PRO 347 Cb 0.49 -2.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 1qbi n PRO 347 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1qbi s THR 348 N 2.90 0.14 0.00 0.52 -4.23 -1.26 -0.81 115.64 112.90 1qbi s THR 348 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1qbi s THR 348 Cb 0.15 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1qbi s THR 348 CO -0.04 0.00 0.01 1.33 -0.54 0.00 0.00 174.62 175.38 1qbi n VAL 349 N -0.35 0.00 -3.34 2.29 0.24 -1.20 -4.86 118.33 111.12 1qbi n VAL 349 Ca 0.02 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1qbi n VAL 349 Cb 0.66 1.01 0.02 0.00 -1.47 0.00 0.00 33.84 34.06 1qbi n VAL 349 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qbi n ALA 350 N -0.57 -2.56 -1.85 2.33 0.00 -1.26 -2.95 120.51 113.65 1qbi n ALA 350 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1qbi n ALA 350 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 19.45 16.58 1qbi n ALA 350 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qbi s PRO 351 N -4.19 4.21 0.00 0.00 0.04 -1.26 -1.21 135.00 132.59 1qbi s PRO 351 Ca 0.20 2.40 0.12 0.00 0.04 0.00 0.00 61.00 63.75 1qbi s PRO 351 Cb -0.05 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.30 1qbi s PRO 351 CO 0.79 -0.53 0.53 -1.13 0.04 0.00 0.00 177.00 176.70 1qbi n SER 352 N 2.69 0.69 -2.72 6.66 3.41 -0.42 -4.52 113.62 119.41 1qbi n SER 352 Ca 0.09 -0.85 -0.04 0.00 -0.26 0.00 0.00 58.87 57.81 1qbi n SER 352 Cb 0.39 0.90 0.02 0.00 -0.26 0.00 0.00 64.21 65.26 1qbi n SER 352 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qbi n SER 353 N -1.08 -1.63 -3.66 4.04 2.88 -1.26 -4.49 113.62 108.43 1qbi n SER 353 Ca 0.03 -1.98 -0.06 0.00 -1.33 0.00 0.00 58.87 55.52 1qbi n SER 353 Cb 0.19 2.67 -0.08 0.00 -0.75 0.00 0.00 64.21 66.25 1qbi n SER 353 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qbi s ALA 354 N -1.87 -1.46 -0.08 -1.46 0.00 -1.26 -4.22 121.76 111.41 1qbi s ALA 354 Ca 0.17 1.81 0.01 0.00 0.00 0.00 0.00 51.96 53.95 1qbi s ALA 354 Cb -0.03 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.66 1qbi s ALA 354 CO 0.07 -0.76 -0.11 -0.47 0.00 0.00 0.00 175.76 174.49 1qbi s TYR 355 N 2.57 1.45 -0.41 0.00 5.04 0.66 -4.13 117.35 122.53 1qbi s TYR 355 Ca -0.04 -0.59 -0.26 0.00 -2.44 0.00 0.00 57.07 53.74 1qbi s TYR 355 Cb -0.11 -1.11 0.02 0.00 0.35 0.00 0.00 41.96 41.11 1qbi s TYR 355 CO -0.15 -0.35 0.93 0.08 -1.34 0.00 0.00 175.55 174.72 1qbi s VAL 356 N 0.98 4.52 -0.14 3.14 1.01 -1.26 0.66 120.40 129.32 1qbi s VAL 356 Ca -0.09 0.99 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1qbi s VAL 356 Cb -0.15 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 1qbi s VAL 356 CO -0.00 -0.68 1.32 -0.47 0.00 0.00 0.00 175.10 175.26 1qbi s TYR 357 N 3.63 2.75 -2.94 5.22 5.04 -0.67 -4.91 117.35 125.46 1qbi s TYR 357 Ca 0.38 0.90 0.24 0.00 -2.44 0.00 0.00 57.07 56.15 1qbi s TYR 357 Cb -0.11 -3.56 0.29 0.00 0.35 0.00 0.00 41.96 38.92 1qbi s TYR 357 CO 0.23 -2.00 1.31 1.63 -1.34 0.00 0.00 175.55 175.38 1qbi n LYS 358 N 6.54 2.26 0.00 4.97 5.02 -1.26 -4.43 118.16 131.25 1qbi n LYS 358 Ca 0.14 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1qbi n LYS 358 Cb 0.45 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1qbi n LYS 358 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qbi n GLY 359 N 1.33 1.81 0.00 0.72 0.00 -1.26 -5.04 105.19 102.75 1qbi n GLY 359 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1qbi n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbi n GLY 360 N 0.00 0.85 0.24 -0.02 0.00 -1.25 -3.50 105.19 101.51 1qbi n GLY 360 Ca 0.00 -2.00 0.16 0.00 0.00 0.00 0.00 46.02 44.19 1qbi n GLY 360 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qbi h LYS 361 N 8.06 0.00 -0.33 1.61 2.10 -1.74 -0.02 116.57 126.25 1qbi h LYS 361 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.40 1qbi h LYS 361 Cb 0.00 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 31.09 1qbi h LYS 361 CO 0.00 0.00 -0.73 1.63 -2.00 0.00 0.00 179.45 178.35 1qbi n LYS 362 N -2.72 2.25 -1.56 0.07 5.02 0.45 -5.06 118.16 116.60 1qbi n LYS 362 Ca -0.01 -3.54 -0.46 0.00 -2.02 0.00 0.00 58.31 52.29 1qbi n LYS 362 Cb 0.16 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.42 1qbi n LYS 362 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qbi n ALA 363 N -0.76 -0.68 -2.41 7.82 0.00 -0.03 -3.38 120.51 121.07 1qbi n ALA 363 Ca 0.27 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.69 1qbi n ALA 363 Cb 0.85 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1qbi n ALA 363 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qbi s ILE 364 N -0.89 4.09 0.06 0.00 1.01 -1.25 -4.93 121.20 119.28 1qbi s ILE 364 Ca 0.62 1.46 -0.37 0.00 0.00 0.00 0.00 60.65 62.37 1qbi s ILE 364 Cb -0.76 -3.94 -0.16 0.00 0.01 0.00 0.00 42.46 37.61 1qbi s ILE 364 CO 0.58 0.05 1.42 0.41 0.00 0.00 0.00 174.94 177.40 1qbi n THR 365 N 4.29 0.04 -0.56 2.92 -1.04 -1.26 -1.61 114.28 117.07 1qbi n THR 365 Ca 0.10 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1qbi n THR 365 Cb 0.46 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1qbi n THR 365 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qbi n GLY 366 N 2.82 1.56 0.89 3.41 0.00 -1.26 -4.89 105.19 107.72 1qbi n GLY 366 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1qbi n GLY 366 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qbi n TRP 367 N -2.00 0.67 -1.71 1.61 7.02 -0.63 -4.91 117.44 117.48 1qbi n TRP 367 Ca 0.00 -0.32 -0.43 0.00 -1.02 0.00 0.00 57.50 55.73 1qbi n TRP 367 Cb 0.00 -0.02 -0.01 0.00 -2.42 0.00 0.00 31.31 28.85 1qbi n TRP 367 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1qbi n GLU 368 N 0.83 2.25 -3.71 -0.99 4.71 -1.26 -2.58 120.64 119.88 1qbi n GLU 368 Ca 0.16 0.79 -0.26 0.00 -0.01 0.00 0.00 57.16 57.84 1qbi n GLU 368 Cb 0.42 -2.44 0.06 0.00 -1.01 0.00 0.00 31.44 28.47 1qbi n GLU 368 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1qbi n ASN 369 N 1.26 -5.31 -4.81 1.62 5.03 -1.26 -4.68 115.26 107.11 1qbi n ASN 369 Ca 0.06 -0.65 -0.27 0.00 0.87 0.00 0.00 54.58 54.60 1qbi n ASN 369 Cb 0.35 -4.57 -0.05 0.00 -1.02 0.00 0.00 39.78 34.49 1qbi n ASN 369 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1qbi s THR 370 N -3.33 4.56 -0.16 3.41 -4.23 -1.07 -0.23 115.64 114.59 1qbi s THR 370 Ca 0.56 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1qbi s THR 370 Cb -0.26 -3.32 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1qbi s THR 370 CO 0.77 -0.08 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.39 1qbi s LEU 371 N -3.04 2.44 -0.20 4.79 2.96 0.12 -1.68 118.68 124.07 1qbi s LEU 371 Ca 0.31 -0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1qbi s LEU 371 Cb -0.10 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1qbi s LEU 371 CO 0.24 0.08 0.12 -0.76 -1.32 0.00 0.00 176.35 174.70 1qbi s LEU 372 N 0.85 4.07 -0.27 -0.68 1.43 0.21 -0.60 118.68 123.69 1qbi s LEU 372 Ca -0.05 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1qbi s LEU 372 Cb -0.15 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.10 1qbi s LEU 372 CO -0.01 0.15 0.06 -0.69 0.23 0.00 0.00 176.35 176.09 1qbi s VAL 373 N 0.51 0.99 0.36 -1.59 1.01 0.18 -0.24 120.40 121.62 1qbi s VAL 373 Ca 0.07 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 1qbi s VAL 373 Cb -0.12 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 1qbi s VAL 373 CO -0.00 -0.47 1.27 -2.16 0.00 0.00 0.00 175.10 173.74 1qbi s PRO 374 N 1.59 4.23 -0.16 2.72 0.05 -1.26 -0.21 135.00 141.96 1qbi s PRO 374 Ca 0.05 2.12 -0.02 0.00 0.05 0.00 0.00 61.00 63.20 1qbi s PRO 374 Cb -0.18 -2.94 -0.02 0.00 0.05 0.00 0.00 34.50 31.41 1qbi s PRO 374 CO -0.17 -0.26 -0.07 0.45 0.05 0.00 0.00 177.00 177.00 1qbi s SER 375 N -0.66 4.39 -0.09 6.66 0.15 0.02 -1.30 113.70 122.87 1qbi s SER 375 Ca 0.52 -0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.64 1qbi s SER 375 Cb -0.38 -1.71 -0.26 0.00 -1.71 0.00 0.00 66.02 61.96 1qbi s SER 375 CO 0.49 0.12 0.91 -0.07 1.20 0.00 0.00 173.24 175.89 1qbi h LEU 376 N 7.07 0.17 -0.09 3.45 3.38 -1.04 -2.85 115.31 125.40 1qbi h LEU 376 Ca -0.32 -0.89 -0.07 0.00 0.09 0.00 0.00 57.88 56.69 1qbi h LEU 376 Cb 1.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1qbi h LEU 376 CO 0.59 1.05 -0.34 0.50 0.09 0.00 0.00 178.44 180.33 1qbi h LYS 377 N -0.68 0.00 0.00 1.13 3.64 -1.74 -3.32 116.57 115.60 1qbi h LYS 377 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1qbi h LYS 377 Cb 1.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1qbi h LYS 377 CO 0.05 0.34 -0.94 0.54 -2.27 0.00 0.00 179.45 177.17 1qbi n ARG 378 N -3.20 1.12 -3.42 1.90 5.12 -1.26 -0.97 116.66 115.94 1qbi n ARG 378 Ca 0.02 -0.02 -0.20 0.00 -1.93 0.00 0.00 57.85 55.73 1qbi n ARG 378 Cb 0.65 -1.34 0.07 0.00 -1.16 0.00 0.00 32.46 30.68 1qbi n ARG 378 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qbi n GLY 379 N 1.42 -0.34 3.18 -0.13 0.00 -1.18 -4.72 105.19 103.42 1qbi n GLY 379 Ca 0.03 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1qbi n GLY 379 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qbi s VAL 380 N -3.28 0.54 -0.22 1.61 -7.23 -1.25 -1.56 120.40 109.00 1qbi s VAL 380 Ca 0.44 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1qbi s VAL 380 Cb -0.19 -1.84 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 1qbi s VAL 380 CO 0.63 -0.72 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.03 1qbi s ILE 381 N -3.74 3.30 0.30 -0.62 1.01 0.92 -0.80 121.20 121.57 1qbi s ILE 381 Ca 0.16 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1qbi s ILE 381 Cb 0.06 -2.52 -0.09 0.00 0.01 0.00 0.00 42.46 39.91 1qbi s ILE 381 CO -0.02 0.39 0.96 -0.36 0.00 0.00 0.00 174.94 175.92 1qbi s PHE 382 N 1.46 3.75 -0.25 3.97 0.40 0.71 -0.39 117.98 127.64 1qbi s PHE 382 Ca 0.05 1.81 -0.06 0.00 -0.60 0.00 0.00 56.93 58.13 1qbi s PHE 382 Cb -0.14 -2.99 -0.02 0.00 0.51 0.00 0.00 43.02 40.38 1qbi s PHE 382 CO -0.04 0.17 0.04 0.50 0.70 0.00 0.00 175.22 176.59 1qbi s ARG 383 N -1.74 3.49 -0.21 0.44 3.52 0.17 -0.65 118.95 123.97 1qbi s ARG 383 Ca 0.47 -0.58 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1qbi s ARG 383 Cb -0.22 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1qbi s ARG 383 CO 0.28 -0.23 -0.11 0.42 -0.81 0.00 0.00 175.30 174.85 1qbi s ILE 384 N 1.56 2.79 0.23 4.11 1.01 0.23 -1.29 121.20 129.84 1qbi s ILE 384 Ca 0.06 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 59.75 1qbi s ILE 384 Cb -0.15 -2.25 -0.09 0.00 0.01 0.00 0.00 42.46 39.98 1qbi s ILE 384 CO 0.01 0.45 0.79 -0.75 0.00 0.00 0.00 174.94 175.44 1qbi s LYS 385 N 1.39 4.40 0.23 2.79 2.47 -1.26 0.16 119.74 129.92 1qbi s LYS 385 Ca 0.05 1.04 0.06 0.00 -1.56 0.00 0.00 55.97 55.56 1qbi s LYS 385 Cb -0.14 -2.95 -0.05 0.00 -1.46 0.00 0.00 37.83 33.23 1qbi s LYS 385 CO -0.07 0.41 -0.09 -0.51 0.16 0.00 0.00 175.35 175.25 1qbi s LEU 386 N -1.80 2.47 1.07 5.43 1.02 0.68 -0.45 118.68 127.11 1qbi s LEU 386 Ca 0.43 -1.12 -0.14 0.00 0.02 0.00 0.00 54.13 53.32 1qbi s LEU 386 Cb -0.19 -0.58 0.22 0.00 0.02 0.00 0.00 46.19 45.66 1qbi s LEU 386 CO 0.23 -0.30 1.10 1.51 0.02 0.00 0.00 176.35 178.91 1qbi s ASP 387 N -3.36 2.04 0.55 2.29 1.47 -0.66 -4.76 116.67 114.24 1qbi s ASP 387 Ca 0.26 1.01 0.37 0.00 1.18 0.00 0.00 52.55 55.36 1qbi s ASP 387 Cb 0.02 -1.56 1.82 0.00 -0.34 0.00 0.00 42.92 42.86 1qbi s ASP 387 CO 0.09 -3.47 2.11 -0.65 0.68 0.00 0.00 175.17 173.92 1qbi h PRO 388 N -2.13 0.00 -0.31 2.11 0.11 -1.93 0.29 132.00 130.15 1qbi h PRO 388 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qbi h PRO 388 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1qbi h PRO 388 CO 0.51 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.55 1qbi n THR 389 N -2.91 0.39 -3.85 -1.15 -2.24 -1.26 -4.95 114.28 98.31 1qbi n THR 389 Ca -0.01 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.90 1qbi n THR 389 Cb 0.15 0.79 0.02 0.00 -2.10 0.00 0.00 70.33 69.19 1qbi n THR 389 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1qbi n TYR 390 N 1.10 -2.06 -0.03 4.78 4.02 0.10 -4.88 117.16 120.20 1qbi n TYR 390 Ca 0.18 0.86 0.03 0.00 -0.01 0.00 0.00 57.90 58.96 1qbi n TYR 390 Cb 0.51 -4.06 -0.12 0.00 -0.02 0.00 0.00 39.34 35.65 1qbi n TYR 390 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1qbi n SER 391 N -2.93 1.46 -3.79 7.72 7.64 -1.26 -4.97 113.62 117.49 1qbi n SER 391 Ca -0.13 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.65 1qbi n SER 391 Cb 0.60 1.43 -0.08 0.00 -1.01 0.00 0.00 64.21 65.16 1qbi n SER 391 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1qbi s THR 392 N -2.84 0.10 0.50 0.44 -1.32 -1.26 -5.04 115.64 106.22 1qbi s THR 392 Ca -0.06 -0.79 -0.13 0.00 -1.21 0.00 0.00 61.69 59.50 1qbi s THR 392 Cb 0.08 -0.96 -0.07 0.00 -1.51 0.00 0.00 72.50 70.04 1qbi s THR 392 CO 0.63 -0.43 0.93 0.42 -2.21 0.00 0.00 174.62 173.95 1qbi s THR 393 N -2.68 4.65 -0.13 5.08 -4.23 -1.26 -1.66 115.64 115.41 1qbi s THR 393 Ca -0.04 0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 61.42 1qbi s THR 393 Cb -0.00 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1qbi s THR 393 CO -0.04 -0.73 -0.11 -0.31 -0.54 0.00 0.00 174.62 172.88 1qbi s TYR 394 N -2.66 2.85 0.00 3.99 2.02 0.41 -4.78 117.35 119.18 1qbi s TYR 394 Ca 0.56 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1qbi s TYR 394 Cb -0.10 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1qbi s TYR 394 CO 0.36 -0.15 0.00 -0.25 -1.57 0.00 0.00 175.55 173.93 1qbi n ASP 395 N 3.45 0.00 -4.87 2.29 8.00 -1.26 -4.26 116.55 119.90 1qbi n ASP 395 Ca -0.18 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.06 1qbi n ASP 395 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1qbi n ASP 395 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qbi s ASP 396 N -4.00 4.59 -0.27 -2.24 1.01 -1.26 -4.97 116.67 109.52 1qbi s ASP 396 Ca 0.00 -1.23 -0.28 0.00 0.71 0.00 0.00 52.55 51.75 1qbi s ASP 396 Cb 0.00 0.24 0.01 0.00 1.01 0.00 0.00 42.92 44.18 1qbi s ASP 396 CO 0.00 -0.98 1.00 0.00 0.21 0.00 0.00 175.17 175.40 1qbi s ALA 397 N -2.74 3.60 -0.27 5.23 0.00 -1.26 -4.58 121.76 121.75 1qbi s ALA 397 Ca 0.33 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1qbi s ALA 397 Cb -0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1qbi s ALA 397 CO 0.20 -1.20 0.36 0.08 0.00 0.00 0.00 175.76 175.19 1qbi s VAL 398 N 3.28 5.19 0.31 0.00 1.01 -0.41 -4.87 120.40 124.92 1qbi s VAL 398 Ca 0.42 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 1qbi s VAL 398 Cb -0.14 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1qbi s VAL 398 CO 0.10 0.17 1.05 -2.16 0.00 0.00 0.00 175.10 174.26 1qbi s PRO 399 N 2.02 4.52 0.12 2.72 0.04 -1.26 0.41 135.00 143.57 1qbi s PRO 399 Ca 0.14 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 1qbi s PRO 399 Cb -0.16 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1qbi s PRO 399 CO 0.10 0.15 0.02 -1.64 0.04 0.00 0.00 177.00 175.67 1qbi s MET 400 N -1.78 0.89 -1.45 4.56 -1.94 0.48 -4.80 119.30 115.26 1qbi s MET 400 Ca 0.49 -1.41 -0.08 0.00 -1.71 0.00 0.00 55.69 52.97 1qbi s MET 400 Cb -0.27 0.11 0.05 0.00 2.01 0.00 0.00 34.83 36.73 1qbi s MET 400 CO 0.34 -0.19 0.83 1.19 -0.01 0.00 0.00 175.02 177.18 1qbi n PHE 401 N -0.08 -2.09 -1.71 -0.03 3.01 -1.05 -0.06 117.46 115.45 1qbi n PHE 401 Ca -0.08 0.87 -0.43 0.00 1.01 0.00 0.00 57.45 58.82 1qbi n PHE 401 Cb 0.63 -4.06 -0.03 0.00 -0.01 0.00 0.00 39.48 36.01 1qbi n PHE 401 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1qbi n LYS 402 N -4.51 2.64 -3.66 -1.08 3.00 0.81 -4.52 118.16 110.84 1qbi n LYS 402 Ca -0.11 0.95 -0.05 0.00 -0.00 0.00 0.00 58.31 59.10 1qbi n LYS 402 Cb 0.59 -2.76 -0.02 0.00 0.00 0.00 0.00 35.03 32.84 1qbi n LYS 402 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1qbi s SER 403 N 0.97 -0.23 -1.31 3.14 1.04 -0.60 -4.79 113.70 111.92 1qbi s SER 403 Ca 0.73 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 1qbi s SER 403 Cb -0.54 0.43 0.14 0.00 0.10 0.00 0.00 66.02 66.15 1qbi s SER 403 CO 0.37 -0.76 1.87 0.59 0.98 0.00 0.00 173.24 176.29 1qbi n ASN 404 N -0.39 4.87 -3.86 7.02 3.02 -1.26 -4.38 115.26 120.27 1qbi n ASN 404 Ca -0.07 -3.03 -0.11 0.00 -0.03 0.00 0.00 54.58 51.34 1qbi n ASN 404 Cb 0.61 -1.54 -0.11 0.00 -0.61 0.00 0.00 39.78 38.13 1qbi n ASN 404 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qbi s ASN 405 N 1.79 -0.01 -0.59 6.41 0.01 -1.26 0.45 114.94 121.74 1qbi s ASN 405 Ca 0.42 -0.08 -0.17 0.00 -0.71 0.00 0.00 52.86 52.32 1qbi s ASN 405 Cb 0.08 0.23 0.12 0.00 0.41 0.00 0.00 41.25 42.09 1qbi s ASN 405 CO -0.01 -0.27 0.63 -0.13 -1.51 0.00 0.00 177.10 175.81 1qbi s ARG 406 N -0.95 3.06 0.01 -0.60 0.52 -1.26 -3.39 118.95 116.34 1qbi s ARG 406 Ca -0.10 -1.55 -0.30 0.00 -0.52 0.00 0.00 55.73 53.25 1qbi s ARG 406 Cb -0.06 -4.30 -0.05 0.00 0.52 0.00 0.00 34.95 31.06 1qbi s ARG 406 CO 0.01 -1.45 1.20 0.71 0.02 0.00 0.00 175.30 175.79 1qbi s TYR 407 N 2.10 3.33 -0.11 -0.53 1.51 -1.08 -0.40 117.35 122.18 1qbi s TYR 407 Ca 0.09 1.27 0.09 0.00 -1.01 0.00 0.00 57.07 57.50 1qbi s TYR 407 Cb -0.25 -3.42 -0.13 0.00 -0.11 0.00 0.00 41.96 38.05 1qbi s TYR 407 CO 0.04 -1.28 0.03 -2.13 -1.11 0.00 0.00 175.55 171.09 1qbi n ARG 408 N 4.48 2.12 -3.49 -0.62 3.00 0.50 -3.63 116.66 119.01 1qbi n ARG 408 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.85 1qbi n ARG 408 Cb 0.46 -1.27 -0.02 0.00 0.00 0.00 0.00 32.46 31.63 1qbi n ARG 408 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1qbi s ASP 409 N -4.38 -0.46 -0.12 6.15 2.15 -1.18 -4.33 116.67 114.49 1qbi s ASP 409 Ca -0.06 -0.05 -0.17 0.00 0.43 0.00 0.00 52.55 52.70 1qbi s ASP 409 Cb 0.03 0.53 0.04 0.00 -0.30 0.00 0.00 42.92 43.22 1qbi s ASP 409 CO 0.43 -0.87 0.44 0.54 -0.17 0.00 0.00 175.17 175.54 1qbi s VAL 410 N -3.52 0.01 0.23 1.11 0.11 -1.26 -1.47 120.40 115.62 1qbi s VAL 410 Ca 0.03 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 58.94 1qbi s VAL 410 Cb -0.01 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1qbi s VAL 410 CO -0.10 -0.06 0.25 0.27 -3.33 0.00 0.00 175.10 172.13 1qbi s ILE 411 N -0.25 0.00 0.22 7.04 -4.36 -0.30 -4.76 121.20 118.79 1qbi s ILE 411 Ca -0.04 -1.84 0.10 0.00 -0.26 0.00 0.00 60.65 58.61 1qbi s ILE 411 Cb -0.03 -2.44 -0.05 0.00 1.25 0.00 0.00 42.46 41.19 1qbi s ILE 411 CO 0.02 0.00 -0.19 0.00 0.24 0.00 0.00 174.94 175.01 1qbi s ALA 412 N -3.98 2.40 0.69 2.27 0.00 -1.26 -0.81 121.76 121.07 1qbi s ALA 412 Ca 0.35 -1.71 -0.13 0.00 0.00 0.00 0.00 51.96 50.47 1qbi s ALA 412 Cb 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1qbi s ALA 412 CO 0.13 0.25 1.08 -1.54 0.00 0.00 0.00 175.76 175.68 1qbi s SER 413 N -3.15 5.19 0.39 0.00 1.04 0.40 -4.88 113.70 112.68 1qbi s SER 413 Ca 0.24 1.78 0.13 0.00 0.48 0.00 0.00 55.95 58.58 1qbi s SER 413 Cb -0.05 -2.52 0.95 0.00 0.10 0.00 0.00 66.02 64.50 1qbi s SER 413 CO 0.11 -1.57 1.87 -0.65 0.98 0.00 0.00 173.24 173.97 1qbi h PRO 414 N -0.44 0.53 0.00 4.02 0.11 -1.91 0.31 132.00 134.62 1qbi h PRO 414 Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qbi h PRO 414 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qbi h PRO 414 CO 0.55 0.35 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.24 1qbi h ASP 415 N 0.55 0.00 0.00 -2.05 3.32 -1.92 -3.39 116.42 112.93 1qbi h ASP 415 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1qbi h ASP 415 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1qbi h ASP 415 CO -0.19 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 177.95 1qbi n GLY 416 N 0.11 1.29 0.38 2.75 0.00 0.11 -0.41 105.19 109.41 1qbi n GLY 416 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1qbi n GLY 416 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qbi n ASN 417 N 0.00 1.53 -4.14 1.61 6.94 -1.22 -3.95 115.26 116.03 1qbi n ASN 417 Ca 0.00 -1.21 -0.27 0.00 -0.02 0.00 0.00 54.58 53.08 1qbi n ASN 417 Cb 0.00 0.28 -0.16 0.00 -2.36 0.00 0.00 39.78 37.54 1qbi n ASN 417 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qbi s VAL 418 N -2.47 1.52 -0.11 3.53 1.01 -1.26 -0.66 120.40 121.97 1qbi s VAL 418 Ca 0.22 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1qbi s VAL 418 Cb 0.19 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1qbi s VAL 418 CO 0.53 0.44 -0.05 -0.76 0.00 0.00 0.00 175.10 175.26 1qbi s LEU 419 N 0.17 3.24 -0.18 3.92 1.43 0.41 -0.45 118.68 127.21 1qbi s LEU 419 Ca -0.08 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1qbi s LEU 419 Cb -0.13 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 1qbi s LEU 419 CO 0.03 0.29 -0.10 -0.31 0.23 0.00 0.00 176.35 176.49 1qbi s TYR 420 N -0.35 2.87 0.08 0.29 1.51 0.01 -0.18 117.35 121.59 1qbi s TYR 420 Ca 0.05 -0.91 0.05 0.00 -1.01 0.00 0.00 57.07 55.25 1qbi s TYR 420 Cb -0.12 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 1qbi s TYR 420 CO 0.02 -0.44 -0.14 0.14 -1.11 0.00 0.00 175.55 174.02 1qbi s VAL 421 N 0.98 1.12 0.05 0.71 -7.23 0.86 -1.14 120.40 115.76 1qbi s VAL 421 Ca -0.01 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1qbi s VAL 421 Cb -0.15 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 1qbi s VAL 421 CO -0.01 -0.29 0.08 -0.76 -0.31 0.00 0.00 175.10 173.82 1qbi s LEU 422 N -1.91 3.85 0.13 1.32 1.43 -0.54 -0.15 118.68 122.81 1qbi s LEU 422 Ca 0.00 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1qbi s LEU 422 Cb -0.09 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1qbi s LEU 422 CO 0.02 0.21 -0.18 0.42 0.23 0.00 0.00 176.35 177.05 1qbi s THR 423 N -1.32 1.62 0.62 5.49 -4.23 -0.27 -0.37 115.64 117.18 1qbi s THR 423 Ca 0.27 -1.71 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 1qbi s THR 423 Cb -0.12 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 1qbi s THR 423 CO 0.19 -0.25 1.11 -1.81 -0.54 0.00 0.00 174.62 173.32 1qbi s ASP 424 N -2.31 5.33 0.13 3.99 1.01 0.47 -2.87 116.67 122.42 1qbi s ASP 424 Ca 0.10 2.02 -0.06 0.00 0.71 0.00 0.00 52.55 55.32 1qbi s ASP 424 Cb -0.07 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.21 1qbi s ASP 424 CO 0.05 -1.48 1.31 0.74 0.21 0.00 0.00 175.17 176.00 1qbi h THR 425 N 0.36 1.36 -3.91 -1.27 2.02 -1.87 -0.56 112.91 109.05 1qbi h THR 425 Ca -0.48 -2.30 -0.10 0.00 0.77 0.00 0.00 66.41 64.31 1qbi h THR 425 Cb 1.25 2.30 -0.13 0.00 -1.74 0.00 0.00 68.15 69.82 1qbi h THR 425 CO 0.55 0.69 -0.37 0.00 0.37 0.00 0.00 175.52 176.77 1qbi s ALA 426 N -3.41 0.00 0.00 6.16 0.00 -1.26 -4.30 121.76 118.95 1qbi s ALA 426 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1qbi s ALA 426 Cb 0.09 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1qbi s ALA 426 CO 0.87 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1qbi n GLY 427 N -0.15 0.89 3.91 0.00 0.00 -1.26 -5.05 105.19 103.54 1qbi n GLY 427 Ca -0.10 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 1qbi n GLY 427 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qbi s ASN 428 N -1.41 6.29 -0.00 1.61 0.01 -1.26 -4.34 114.94 115.83 1qbi s ASN 428 Ca 0.00 0.22 -0.16 0.00 -0.71 0.00 0.00 52.86 52.22 1qbi s ASN 428 Cb 0.00 -1.91 0.03 0.00 0.41 0.00 0.00 41.25 39.78 1qbi s ASN 428 CO 0.00 0.14 0.33 0.54 -1.51 0.00 0.00 177.10 176.60 1qbi s VAL 429 N -1.56 0.06 -0.02 1.60 0.11 0.09 -4.64 120.40 116.04 1qbi s VAL 429 Ca 0.34 -0.49 -0.28 0.00 -2.93 0.00 0.00 61.98 58.62 1qbi s VAL 429 Cb -0.12 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1qbi s VAL 429 CO 0.28 -0.27 0.90 -1.58 -3.33 0.00 0.00 175.10 171.10 1qbi s GLN 430 N -1.60 4.53 0.77 1.54 0.74 -0.14 -0.75 119.66 124.74 1qbi s GLN 430 Ca -0.12 1.27 -0.09 0.00 0.05 0.00 0.00 55.36 56.47 1qbi s GLN 430 Cb -0.04 -3.46 0.08 0.00 1.10 0.00 0.00 33.01 30.69 1qbi s GLN 430 CO 0.03 -0.02 1.10 0.15 -0.55 0.00 0.00 175.29 176.01 1qbi s LYS 431 N 0.95 1.98 0.34 1.67 1.02 0.47 -4.73 119.74 121.43 1qbi s LYS 431 Ca 0.48 -0.14 0.12 0.00 0.02 0.00 0.00 55.97 56.45 1qbi s LYS 431 Cb -0.20 -2.06 0.96 0.00 -0.52 0.00 0.00 37.83 36.01 1qbi s LYS 431 CO 0.25 -1.47 1.72 -0.44 -0.92 0.00 0.00 175.35 174.49 1qbi h ASP 432 N -0.86 0.61 -0.09 2.83 5.19 -1.91 -0.14 116.42 122.05 1qbi h ASP 432 Ca -0.45 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 1qbi h ASP 432 Cb 1.32 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1qbi h ASP 432 CO 0.61 0.06 0.00 -0.90 -3.12 0.00 0.00 179.24 175.89 1qbi n ASP 433 N -4.87 1.06 0.00 6.45 3.85 -1.26 -4.49 116.55 117.29 1qbi n ASP 433 Ca 0.28 -1.56 0.00 0.00 -0.71 0.00 0.00 54.79 52.80 1qbi n ASP 433 Cb 0.81 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.53 1qbi n ASP 433 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qbi n GLY 434 N 1.03 2.95 3.78 6.12 0.00 -0.07 -4.98 105.19 114.03 1qbi n GLY 434 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1qbi n GLY 434 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qbi s SER 435 N -1.19 3.62 -0.07 1.61 1.04 -1.26 -4.65 113.70 112.80 1qbi s SER 435 Ca 0.00 1.03 -0.10 0.00 0.48 0.00 0.00 55.95 57.36 1qbi s SER 435 Cb 0.00 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.44 1qbi s SER 435 CO 0.00 -2.49 0.25 -0.69 0.98 0.00 0.00 173.24 171.29 1qbi s VAL 436 N -3.24 5.31 0.07 5.02 1.01 -1.26 -0.40 120.40 126.90 1qbi s VAL 436 Ca 0.63 0.47 0.03 0.00 0.00 0.00 0.00 61.98 63.12 1qbi s VAL 436 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1qbi s VAL 436 CO 0.54 0.60 -0.10 0.28 0.00 0.00 0.00 175.10 176.42 1qbi s THR 437 N -1.03 0.81 -0.39 3.92 -1.32 0.07 -4.90 115.64 112.79 1qbi s THR 437 Ca 0.19 -1.31 0.07 0.00 -1.21 0.00 0.00 61.69 59.42 1qbi s THR 437 Cb -0.14 -0.96 0.18 0.00 -1.51 0.00 0.00 72.50 70.07 1qbi s THR 437 CO 0.08 -0.40 1.14 -0.46 -2.21 0.00 0.00 174.62 172.78 1qbi n ASN 438 N 1.14 2.54 -4.43 8.08 0.23 -1.26 -0.73 115.26 120.83 1qbi n ASN 438 Ca -0.20 -2.17 -0.44 0.00 -0.53 0.00 0.00 54.58 51.24 1qbi n ASN 438 Cb 0.55 -0.17 -0.04 0.00 -2.08 0.00 0.00 39.78 38.05 1qbi n ASN 438 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1qbi s THR 439 N -1.30 4.64 0.04 5.53 2.01 -1.26 -4.63 115.64 120.67 1qbi s THR 439 Ca 0.15 -1.01 -0.21 0.00 0.31 0.00 0.00 61.69 60.93 1qbi s THR 439 Cb 0.10 -4.65 -0.06 0.00 0.01 0.00 0.00 72.50 67.89 1qbi s THR 439 CO 0.07 -1.37 0.63 -0.76 -0.69 0.00 0.00 174.62 172.50 1qbi s LEU 440 N 3.09 4.46 0.18 4.42 1.43 -1.26 -4.90 118.68 126.10 1qbi s LEU 440 Ca 0.22 1.26 -0.10 0.00 -1.03 0.00 0.00 54.13 54.48 1qbi s LEU 440 Cb -0.15 -2.99 0.09 0.00 0.03 0.00 0.00 46.19 43.17 1qbi s LEU 440 CO 0.02 0.14 1.71 -0.08 0.23 0.00 0.00 176.35 178.37 1qbi h GLU 441 N 5.27 1.00 -2.58 1.70 4.81 -0.41 -3.34 114.58 121.04 1qbi h GLU 441 Ca -0.46 -0.22 -0.60 0.00 -0.13 0.00 0.00 59.36 57.94 1qbi h GLU 441 Cb 1.21 -0.14 -0.40 0.00 0.63 0.00 0.00 28.75 30.04 1qbi h GLU 441 CO 0.68 0.89 -0.77 0.09 -0.73 0.00 0.00 179.01 179.17 1qbi n ASN 442 N -4.35 1.67 -4.69 1.04 4.13 -1.26 -5.10 115.26 106.71 1qbi n ASN 442 Ca 0.04 -2.92 -0.42 0.00 1.68 0.00 0.00 54.58 52.96 1qbi n ASN 442 Cb 0.22 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.77 1qbi n ASN 442 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1qbi s PRO 443 N -1.12 4.18 -1.21 3.52 0.02 -1.26 -3.46 135.00 135.68 1qbi s PRO 443 Ca 0.31 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.64 1qbi s PRO 443 Cb 0.04 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 31.04 1qbi s PRO 443 CO -0.15 -0.75 0.72 0.41 -0.33 0.00 0.00 177.00 176.90 1qbi n GLY 444 N 4.03 -0.73 3.68 0.52 0.00 -0.22 -0.28 105.19 112.19 1qbi n GLY 444 Ca 0.16 0.35 -0.23 0.00 0.00 0.00 0.00 46.02 46.29 1qbi n GLY 444 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qbi s SER 445 N -3.81 4.75 -0.29 1.61 0.01 -1.14 -0.34 113.70 114.51 1qbi s SER 445 Ca 0.29 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 1qbi s SER 445 Cb -0.10 -0.97 0.02 0.00 0.21 0.00 0.00 66.02 65.19 1qbi s SER 445 CO 0.84 0.01 0.02 -0.22 0.41 0.00 0.00 173.24 174.31 1qbi s LEU 446 N -3.56 3.69 -0.03 2.44 2.96 -0.21 -1.11 118.68 122.87 1qbi s LEU 446 Ca 0.31 -0.90 0.07 0.00 -0.22 0.00 0.00 54.13 53.39 1qbi s LEU 446 Cb -0.07 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1qbi s LEU 446 CO 0.20 -0.20 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.17 1qbi s ILE 447 N 1.39 2.21 -0.07 6.68 1.01 0.79 -0.47 121.20 132.75 1qbi s ILE 447 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1qbi s ILE 447 Cb -0.18 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1qbi s ILE 447 CO -0.00 0.58 -0.15 -1.59 0.00 0.00 0.00 174.94 173.78 1qbi s LYS 448 N -0.59 2.69 -0.20 2.79 -2.85 0.89 -0.10 119.74 122.36 1qbi s LYS 448 Ca 0.09 -0.70 -0.01 0.00 -1.00 0.00 0.00 55.97 54.34 1qbi s LYS 448 Cb -0.10 -2.42 0.01 0.00 -2.06 0.00 0.00 37.83 33.25 1qbi s LYS 448 CO -0.00 0.53 -0.11 -0.06 0.10 0.00 0.00 175.35 175.80 1qbi s PHE 449 N -0.48 2.89 -0.19 1.78 0.40 0.74 -0.32 117.98 122.80 1qbi s PHE 449 Ca 0.06 -1.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.04 1qbi s PHE 449 Cb -0.12 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.37 1qbi s PHE 449 CO 0.02 -0.68 -0.02 0.99 0.70 0.00 0.00 175.22 176.22 1qbi s THR 450 N 1.38 3.77 0.20 0.64 2.01 0.74 -0.45 115.64 123.94 1qbi s THR 450 Ca 0.05 -0.38 -0.33 0.00 0.31 0.00 0.00 61.69 61.35 1qbi s THR 450 Cb -0.14 -2.69 -0.13 0.00 0.01 0.00 0.00 72.50 69.55 1qbi s THR 450 CO -0.08 0.44 1.64 0.00 -0.69 0.00 0.00 174.62 175.93 1qbi n TYR 451 N 4.19 2.54 1.01 4.92 9.36 0.16 -0.54 117.16 138.81 1qbi n TYR 451 Ca -0.17 0.17 0.08 0.00 3.32 0.00 0.00 57.90 61.30 1qbi n TYR 451 Cb 0.52 -2.60 0.48 0.00 -0.63 0.00 0.00 39.34 37.10 1qbi n TYR 451 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71