#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbl s ILE 2 N 0.00 4.52 0.24 2.12 1.01 -1.26 -5.00 121.20 122.82 1qbl s ILE 2 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 60.65 60.57 1qbl s ILE 2 Cb 0.00 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1qbl s ILE 2 CO 0.00 0.61 0.03 -1.10 0.00 0.00 0.00 174.94 174.47 1qbl s GLN 3 N -0.91 2.42 -0.06 2.79 -1.52 -1.26 -4.58 119.66 116.54 1qbl s GLN 3 Ca 0.14 -1.27 0.06 0.00 -1.95 0.00 0.00 55.36 52.33 1qbl s GLN 3 Cb -0.11 -2.28 -0.01 0.00 -0.22 0.00 0.00 33.01 30.39 1qbl s GLN 3 CO 0.03 0.40 -0.24 -1.64 -0.25 0.00 0.00 175.29 173.59 1qbl s MET 4 N -3.48 2.58 -0.38 2.91 -1.94 -1.26 -0.52 119.30 117.22 1qbl s MET 4 Ca 0.30 -0.88 -0.03 0.00 -1.71 0.00 0.00 55.69 53.38 1qbl s MET 4 Cb -0.07 -2.20 0.09 0.00 2.01 0.00 0.00 34.83 34.66 1qbl s MET 4 CO 0.20 0.40 0.15 0.99 -0.01 0.00 0.00 175.02 176.75 1qbl s THR 5 N -0.19 3.21 0.12 2.05 2.01 -0.64 -4.29 115.64 117.91 1qbl s THR 5 Ca -0.02 -1.89 -0.17 0.00 0.31 0.00 0.00 61.69 59.91 1qbl s THR 5 Cb -0.14 -3.12 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 1qbl s THR 5 CO 0.03 -0.55 0.57 -1.58 -0.69 0.00 0.00 174.62 172.40 1qbl s GLN 6 N 1.17 4.09 -0.09 4.92 0.74 -1.26 -1.80 119.66 127.42 1qbl s GLN 6 Ca 0.05 0.62 -0.10 0.00 0.05 0.00 0.00 55.36 55.98 1qbl s GLN 6 Cb -0.22 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 30.86 1qbl s GLN 6 CO -0.03 0.54 0.28 -1.12 -0.55 0.00 0.00 175.29 174.40 1qbl s SER 7 N -1.45 -0.27 0.45 6.67 0.01 0.47 -4.50 113.70 115.08 1qbl s SER 7 Ca 0.34 0.48 -0.04 0.00 1.31 0.00 0.00 55.95 58.04 1qbl s SER 7 Cb -0.17 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1qbl s SER 7 CO 0.19 -0.15 0.73 -2.84 0.41 0.00 0.00 173.24 171.59 1qbl s PRO 8 N -0.07 3.54 0.51 12.44 0.02 -1.26 -0.61 135.00 149.56 1qbl s PRO 8 Ca -0.02 0.09 0.23 0.00 0.02 0.00 0.00 61.00 61.32 1qbl s PRO 8 Cb -0.03 -2.44 1.38 0.00 0.02 0.00 0.00 34.50 33.43 1qbl s PRO 8 CO 0.01 -0.12 2.10 0.00 -0.33 0.00 0.00 177.00 178.65 1qbl h ALA 9 N 0.37 1.54 -3.24 -1.55 0.00 -1.79 -3.39 119.26 111.21 1qbl h ALA 9 Ca -0.48 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 1qbl h ALA 9 Cb 1.21 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.68 1qbl h ALA 9 CO 0.62 0.13 -0.57 0.45 0.00 0.00 0.00 179.25 179.87 1qbl s SER 10 N -6.52 -0.14 -0.10 0.00 0.15 -1.26 -0.72 113.70 105.11 1qbl s SER 10 Ca -0.04 0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.96 1qbl s SER 10 Cb 0.15 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1qbl s SER 10 CO 0.62 -0.13 -0.13 -0.22 1.20 0.00 0.00 173.24 174.58 1qbl s LEU 11 N 0.98 1.58 -0.22 3.45 0.20 -0.08 -4.92 118.68 119.67 1qbl s LEU 11 Ca -0.07 -0.36 -0.08 0.00 0.69 0.00 0.00 54.13 54.31 1qbl s LEU 11 Cb -0.09 -0.95 -0.04 0.00 -0.43 0.00 0.00 46.19 44.68 1qbl s LEU 11 CO -0.05 -0.01 0.07 -0.44 -0.29 0.00 0.00 176.35 175.63 1qbl s SER 12 N 1.05 5.41 0.29 3.68 0.01 -1.26 -0.31 113.70 122.57 1qbl s SER 12 Ca -0.06 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.17 1qbl s SER 12 Cb -0.15 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.10 1qbl s SER 12 CO -0.02 0.06 0.26 0.00 0.41 0.00 0.00 173.24 173.95 1qbl s ALA 13 N 1.05 1.49 0.35 1.44 0.00 0.47 -4.78 121.76 121.78 1qbl s ALA 13 Ca 0.04 -1.88 0.09 0.00 0.00 0.00 0.00 51.96 50.21 1qbl s ALA 13 Cb -0.14 1.41 -0.07 0.00 0.00 0.00 0.00 23.12 24.32 1qbl s ALA 13 CO 0.03 -0.66 -0.07 -1.12 0.00 0.00 0.00 175.76 173.94 1qbl s SER 14 N -3.28 3.64 0.08 0.00 0.01 -1.26 -1.13 113.70 111.75 1qbl s SER 14 Ca 0.39 -1.24 -0.31 0.00 1.31 0.00 0.00 55.95 56.10 1qbl s SER 14 Cb 0.03 -0.34 -0.08 0.00 0.21 0.00 0.00 66.02 65.85 1qbl s SER 14 CO 0.22 -0.27 1.53 -0.69 0.41 0.00 0.00 173.24 174.43 1qbl s VAL 15 N -2.68 3.15 0.00 3.43 1.01 -1.26 -2.73 120.40 121.31 1qbl s VAL 15 Ca 0.33 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1qbl s VAL 15 Cb 0.04 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1qbl s VAL 15 CO 0.16 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1qbl n GLY 16 N 3.78 2.95 3.75 4.51 0.00 0.47 -4.92 105.19 115.73 1qbl n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1qbl n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qbl s GLU 17 N -0.54 1.78 -0.00 1.61 2.02 -1.10 -4.19 118.70 118.28 1qbl s GLU 17 Ca 0.00 0.98 -0.03 0.00 0.02 0.00 0.00 54.97 55.94 1qbl s GLU 17 Cb 0.00 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1qbl s GLU 17 CO 0.00 -1.92 0.20 0.99 0.02 0.00 0.00 175.26 174.55 1qbl s THR 18 N -2.93 5.42 0.00 3.63 2.01 -1.19 -1.31 115.64 121.27 1qbl s THR 18 Ca 0.62 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.37 1qbl s THR 18 Cb -0.17 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1qbl s THR 18 CO 0.56 0.32 0.24 0.54 -0.69 0.00 0.00 174.62 175.59 1qbl s VAL 19 N -1.33 0.07 -0.01 3.82 0.11 0.37 -4.98 120.40 118.45 1qbl s VAL 19 Ca 0.28 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1qbl s VAL 19 Cb -0.13 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1qbl s VAL 19 CO 0.19 -0.34 -0.05 0.42 -3.33 0.00 0.00 175.10 171.99 1qbl s THR 20 N -1.61 0.42 -0.08 5.04 -4.23 -1.26 -0.66 115.64 113.26 1qbl s THR 20 Ca -0.12 -0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1qbl s THR 20 Cb -0.05 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.39 1qbl s THR 20 CO 0.02 0.14 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.44 1qbl s ILE 21 N 0.15 2.74 0.15 2.99 1.09 0.25 -4.75 121.20 123.81 1qbl s ILE 21 Ca -0.01 -0.81 0.11 0.00 -1.10 0.00 0.00 60.65 58.84 1qbl s ILE 21 Cb -0.05 -2.08 -0.04 0.00 -1.06 0.00 0.00 42.46 39.22 1qbl s ILE 21 CO -0.00 0.56 -0.25 0.42 -0.10 0.00 0.00 174.94 175.57 1qbl s THR 22 N -0.13 2.24 -0.05 2.92 -4.23 0.22 -0.36 115.64 116.25 1qbl s THR 22 Ca -0.02 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1qbl s THR 22 Cb -0.14 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.72 1qbl s THR 22 CO 0.04 -0.02 0.01 0.00 -0.54 0.00 0.00 174.62 174.11 1qbl s ARG 24 N 1.61 3.47 0.31 0.00 1.70 -0.74 -1.11 118.95 124.18 1qbl s ARG 24 Ca -0.01 -0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 54.38 1qbl s ARG 24 Cb -0.13 -3.02 -0.09 0.00 -0.57 0.00 0.00 34.95 31.14 1qbl s ARG 24 CO -0.03 -0.10 1.06 0.00 -1.08 0.00 0.00 175.30 175.15 1qbl s ALA 25 N 1.24 3.31 -2.00 7.88 0.00 0.99 -1.62 121.76 131.55 1qbl s ALA 25 Ca 0.03 0.80 0.14 0.00 0.00 0.00 0.00 51.96 52.93 1qbl s ALA 25 Cb -0.14 -3.30 0.81 0.00 0.00 0.00 0.00 23.12 20.49 1qbl s ALA 25 CO -0.01 -0.13 1.41 -1.13 0.00 0.00 0.00 175.76 175.91 1qbl n SER 26 N 0.86 0.00 -3.17 0.00 3.41 0.33 -4.79 113.62 110.26 1qbl n SER 26 Ca 0.01 -1.28 -0.11 0.00 -0.26 0.00 0.00 58.87 57.22 1qbl n SER 26 Cb 0.46 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1qbl n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qbl s GLY 27 N -1.57 0.80 -0.14 5.00 0.00 -1.26 -4.90 107.32 105.25 1qbl s GLY 27 Ca 0.20 -1.04 -0.24 0.00 0.00 0.00 0.00 44.72 43.64 1qbl s GLY 27 CO 0.16 -0.59 0.76 0.21 0.00 0.00 0.00 173.10 173.63 1qbl s ASN 28 N -3.13 6.92 0.00 1.64 3.84 -1.26 -4.50 114.94 118.45 1qbl s ASN 28 Ca 0.22 1.12 0.16 0.00 0.21 0.00 0.00 52.86 54.56 1qbl s ASN 28 Cb -0.03 -2.42 0.19 0.00 -0.55 0.00 0.00 41.25 38.44 1qbl s ASN 28 CO 0.15 -0.29 1.08 2.30 -2.79 0.00 0.00 177.10 177.54 1qbl n ILE 29 N 4.44 0.23 -3.96 -5.21 -5.35 -0.53 -5.00 119.36 103.97 1qbl n ILE 29 Ca 0.02 -0.61 -0.28 0.00 -0.27 0.00 0.00 62.75 61.60 1qbl n ILE 29 Cb 0.50 1.14 -0.00 0.00 -1.74 0.00 0.00 39.64 39.53 1qbl n ILE 29 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1qbl n HIS 30 N 0.89 -1.86 -1.25 4.28 8.25 -1.26 -1.15 115.22 123.12 1qbl n HIS 30 Ca 0.11 0.81 -0.08 0.00 -0.26 0.00 0.00 57.72 58.29 1qbl n HIS 30 Cb 0.42 -3.73 -0.04 0.00 1.12 0.00 0.00 29.99 27.76 1qbl n HIS 30 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1qbl n ASN 31 N -2.89 -5.59 -3.84 0.41 4.13 -1.26 -4.87 115.26 101.34 1qbl n ASN 31 Ca -0.15 0.21 -0.42 0.00 1.68 0.00 0.00 54.58 55.90 1qbl n ASN 31 Cb 0.61 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.01 1qbl n ASN 31 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1qbl n TYR 32 N -2.23 3.50 -4.25 3.10 4.02 -0.30 -3.23 117.16 117.76 1qbl n TYR 32 Ca -0.08 -2.93 -0.17 0.00 -0.01 0.00 0.00 57.90 54.70 1qbl n TYR 32 Cb 0.54 -2.40 -0.15 0.00 -0.02 0.00 0.00 39.34 37.31 1qbl n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1qbl s LEU 33 N 1.74 1.94 0.15 7.72 1.98 -1.26 -0.77 118.68 130.19 1qbl s LEU 33 Ca 0.46 -0.13 0.07 0.00 -2.89 0.00 0.00 54.13 51.64 1qbl s LEU 33 Cb 0.12 -0.38 -0.04 0.00 0.66 0.00 0.00 46.19 46.55 1qbl s LEU 33 CO -0.05 0.07 -0.15 0.00 -1.89 0.00 0.00 176.35 174.33 1qbl s ALA 34 N -0.05 1.77 -0.09 5.97 0.00 0.59 -0.20 121.76 129.75 1qbl s ALA 34 Ca 0.01 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.56 1qbl s ALA 34 Cb -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1qbl s ALA 34 CO -0.00 0.13 -0.20 -1.58 0.00 0.00 0.00 175.76 174.10 1qbl s TRP 35 N -2.35 2.19 0.10 0.00 0.52 0.21 -0.92 118.94 118.68 1qbl s TRP 35 Ca 0.14 -0.87 0.08 0.00 0.02 0.00 0.00 56.10 55.48 1qbl s TRP 35 Cb -0.04 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 1qbl s TRP 35 CO 0.05 -0.37 -0.17 0.71 0.02 0.00 0.00 176.95 177.19 1qbl s TYR 36 N 0.43 2.56 -0.07 -1.98 1.51 0.60 0.34 117.35 120.73 1qbl s TYR 36 Ca -0.17 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1qbl s TYR 36 Cb -0.17 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1qbl s TYR 36 CO 0.07 0.37 -0.17 -1.14 -1.11 0.00 0.00 175.55 173.57 1qbl s GLN 37 N -2.02 2.71 -0.18 -0.62 0.74 0.87 -1.22 119.66 119.94 1qbl s GLN 37 Ca 0.18 -0.74 -0.03 0.00 0.05 0.00 0.00 55.36 54.82 1qbl s GLN 37 Cb -0.11 -2.39 0.06 0.00 1.10 0.00 0.00 33.01 31.68 1qbl s GLN 37 CO 0.10 0.47 0.03 -1.14 -0.55 0.00 0.00 175.29 174.20 1qbl s GLN 38 N -0.35 0.63 0.74 1.67 0.74 0.18 -0.03 119.66 123.24 1qbl s GLN 38 Ca 0.03 -0.35 -0.11 0.00 0.05 0.00 0.00 55.36 54.98 1qbl s GLN 38 Cb -0.12 -1.98 0.04 0.00 1.10 0.00 0.00 33.01 32.04 1qbl s GLN 38 CO 0.02 -0.60 1.09 0.15 -0.55 0.00 0.00 175.29 175.40 1qbl s LYS 39 N 1.88 2.56 0.01 1.67 -0.14 -1.26 -0.97 119.74 123.50 1qbl s LYS 39 Ca -0.00 0.56 -0.31 0.00 -1.36 0.00 0.00 55.97 54.86 1qbl s LYS 39 Cb -0.16 -1.98 -0.09 0.00 -1.68 0.00 0.00 37.83 33.91 1qbl s LYS 39 CO -0.08 -1.26 1.97 0.94 -0.76 0.00 0.00 175.35 176.16 1qbl n GLN 40 N -3.18 2.73 -1.12 1.68 -0.06 -1.26 -1.93 117.38 114.23 1qbl n GLN 40 Ca 0.07 1.00 -0.04 0.00 -2.00 0.00 0.00 57.00 56.02 1qbl n GLN 40 Cb 0.57 -2.95 -0.02 0.00 -4.06 0.00 0.00 30.24 23.78 1qbl n GLN 40 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qbl n GLY 41 N 4.57 0.69 3.56 1.69 0.00 -1.26 -5.02 105.19 109.42 1qbl n GLY 41 Ca 0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1qbl n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbl s LYS 42 N -1.83 1.86 0.57 1.61 1.02 -0.81 -5.13 119.74 117.02 1qbl s LYS 42 Ca 0.00 -2.06 -0.15 0.00 0.02 0.00 0.00 55.97 53.78 1qbl s LYS 42 Cb 0.00 -1.30 -0.06 0.00 -0.52 0.00 0.00 37.83 35.95 1qbl s LYS 42 CO 0.00 -0.14 1.01 -1.12 -0.92 0.00 0.00 175.35 174.18 1qbl s SER 43 N -3.64 6.31 0.60 2.83 0.01 -1.26 -4.58 113.70 113.98 1qbl s SER 43 Ca 0.33 1.57 -0.19 0.00 1.31 0.00 0.00 55.95 58.97 1qbl s SER 43 Cb 0.09 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1qbl s SER 43 CO 0.16 -0.80 1.21 -2.84 0.41 0.00 0.00 173.24 171.37 1qbl s PRO 44 N -4.42 2.94 -0.02 12.44 0.02 -1.26 -4.52 135.00 140.17 1qbl s PRO 44 Ca 0.59 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.45 1qbl s PRO 44 Cb -0.11 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1qbl s PRO 44 CO 0.40 -1.23 -0.09 -1.14 -0.33 0.00 0.00 177.00 174.60 1qbl s GLN 45 N -3.36 0.93 0.16 5.54 0.74 0.95 -4.95 119.66 119.67 1qbl s GLN 45 Ca 0.77 -0.31 -0.31 0.00 0.05 0.00 0.00 55.36 55.57 1qbl s GLN 45 Cb -0.30 -0.88 -0.08 0.00 1.10 0.00 0.00 33.01 32.85 1qbl s GLN 45 CO 0.34 0.12 1.36 -1.17 -0.55 0.00 0.00 175.29 175.39 1qbl s LEU 46 N 0.15 4.39 -0.14 3.68 2.96 -1.26 -0.09 118.68 128.37 1qbl s LEU 46 Ca -0.02 2.38 -0.14 0.00 -0.22 0.00 0.00 54.13 56.12 1qbl s LEU 46 Cb -0.08 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1qbl s LEU 46 CO 0.00 -0.61 -0.28 0.18 -1.32 0.00 0.00 176.35 174.33 1qbl n LEU 47 N 3.32 1.74 -3.98 -0.68 4.77 0.15 -4.71 117.00 117.62 1qbl n LEU 47 Ca 0.09 0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 56.18 1qbl n LEU 47 Cb 0.42 -0.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 1qbl n LEU 47 CO 0.58 -0.25 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.28 1qbl s VAL 48 N -2.68 0.58 0.14 4.08 1.01 -0.96 0.08 120.40 122.64 1qbl s VAL 48 Ca -0.24 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1qbl s VAL 48 Cb 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1qbl s VAL 48 CO 0.35 0.17 -0.18 -0.72 0.00 0.00 0.00 175.10 174.73 1qbl s TYR 49 N -0.01 1.69 -1.39 5.22 -0.85 -0.08 0.63 117.35 122.56 1qbl s TYR 49 Ca 0.01 -0.48 -0.10 0.00 -0.52 0.00 0.00 57.07 55.98 1qbl s TYR 49 Cb -0.05 -0.87 0.02 0.00 0.38 0.00 0.00 41.96 41.44 1qbl s TYR 49 CO -0.00 0.25 1.15 0.09 -1.52 0.00 0.00 175.55 175.51 1qbl n ASN 50 N 0.57 -6.12 0.00 -0.18 3.02 -0.24 -1.54 115.26 110.79 1qbl n ASN 50 Ca -0.15 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1qbl n ASN 50 Cb 0.56 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.91 1qbl n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qbl n ALA 51 N -4.95 0.00 -0.10 5.41 0.00 0.72 -4.12 120.51 117.47 1qbl n ALA 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1qbl n ALA 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1qbl n ALA 51 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1qbl n LYS 52 N 0.00 3.00 -3.01 0.00 2.85 -1.23 -3.06 118.16 116.71 1qbl n LYS 52 Ca 0.00 -0.07 -0.41 0.00 -1.05 0.00 0.00 58.31 56.78 1qbl n LYS 52 Cb 0.00 -0.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.90 1qbl n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1qbl s THR 53 N -0.45 4.94 0.31 0.58 2.01 -0.59 -4.56 115.64 117.88 1qbl s THR 53 Ca 0.00 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 1qbl s THR 53 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 1qbl s THR 53 CO 0.00 0.03 1.31 -0.76 -0.69 0.00 0.00 174.62 174.50 1qbl s LEU 54 N 2.34 4.43 0.89 4.42 1.02 -1.26 -0.91 118.68 129.61 1qbl s LEU 54 Ca 0.31 2.63 -0.13 0.00 0.02 0.00 0.00 54.13 56.97 1qbl s LEU 54 Cb -0.16 -3.64 0.13 0.00 0.02 0.00 0.00 46.19 42.54 1qbl s LEU 54 CO 0.09 -0.52 1.18 0.00 0.02 0.00 0.00 176.35 177.13 1qbl s ALA 55 N -0.91 2.18 0.26 4.21 0.00 0.11 -4.86 121.76 122.75 1qbl s ALA 55 Ca 0.50 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 1qbl s ALA 55 Cb -0.39 -2.95 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 1qbl s ALA 55 CO 0.50 -2.10 1.40 -0.25 0.00 0.00 0.00 175.76 175.30 1qbl n ASP 56 N -3.61 2.83 -0.27 0.00 9.92 -1.26 -2.24 116.55 121.91 1qbl n ASP 56 Ca 0.09 1.16 -0.04 0.00 -0.53 0.00 0.00 54.79 55.47 1qbl n ASP 56 Cb 0.60 -1.45 -0.02 0.00 -0.64 0.00 0.00 41.12 39.61 1qbl n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qbl n GLY 57 N 1.88 0.47 3.66 0.44 0.00 -1.26 -4.98 105.19 105.41 1qbl n GLY 57 Ca 0.10 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1qbl n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbl s VAL 58 N -1.58 5.03 1.12 1.61 1.01 -0.95 -5.06 120.40 121.58 1qbl s VAL 58 Ca 0.00 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.03 1qbl s VAL 58 Cb 0.00 -3.94 0.26 0.00 0.00 0.00 0.00 36.38 32.70 1qbl s VAL 58 CO 0.00 0.12 1.05 -2.16 0.00 0.00 0.00 175.10 174.11 1qbl s PRO 59 N 1.83 -0.56 0.45 2.72 0.04 -1.26 -4.87 135.00 133.35 1qbl s PRO 59 Ca 0.29 0.85 0.27 0.00 0.04 0.00 0.00 61.00 62.44 1qbl s PRO 59 Cb -0.16 -1.60 0.80 0.00 0.04 0.00 0.00 34.50 33.58 1qbl s PRO 59 CO 0.11 -3.49 1.77 0.77 0.04 0.00 0.00 177.00 176.20 1qbl h SER 60 N -2.45 0.00 0.18 6.66 0.02 -2.01 -3.12 113.55 112.83 1qbl h SER 60 Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1qbl h SER 60 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1qbl h SER 60 CO 0.51 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 174.09 1qbl n ARG 61 N -2.96 0.11 -3.77 3.45 1.85 -1.26 -4.63 116.66 109.45 1qbl n ARG 61 Ca 0.03 0.22 -0.36 0.00 -1.00 0.00 0.00 57.85 56.74 1qbl n ARG 61 Cb 0.42 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.27 1qbl n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1qbl s PHE 62 N -2.63 3.60 -0.28 2.89 0.08 -1.18 0.01 117.98 120.48 1qbl s PHE 62 Ca 0.08 0.60 -0.22 0.00 0.12 0.00 0.00 56.93 57.51 1qbl s PHE 62 Cb 0.06 -2.00 0.09 0.00 -0.57 0.00 0.00 43.02 40.60 1qbl s PHE 62 CO 0.14 0.65 0.81 -1.54 -0.10 0.00 0.00 175.22 175.18 1qbl s SER 63 N -1.45 -0.71 0.11 1.36 1.04 -0.70 -5.00 113.70 108.36 1qbl s SER 63 Ca 0.24 1.26 0.08 0.00 0.48 0.00 0.00 55.95 58.01 1qbl s SER 63 Cb -0.13 1.29 -0.04 0.00 0.10 0.00 0.00 66.02 67.23 1qbl s SER 63 CO 0.13 -0.21 -0.15 -0.83 0.98 0.00 0.00 173.24 173.15 1qbl s GLY 64 N 0.78 1.73 0.35 7.32 0.00 -1.25 -0.67 107.32 115.59 1qbl s GLY 64 Ca -0.03 -1.31 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 1qbl s GLY 64 CO -0.08 -1.29 0.58 -1.14 0.00 0.00 0.00 173.10 171.17 1qbl n SER 65 N 0.76 -1.66 0.00 1.64 3.41 -0.33 -4.11 113.62 113.33 1qbl n SER 65 Ca -0.15 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1qbl n SER 65 Cb 0.52 2.93 0.00 0.00 -0.26 0.00 0.00 64.21 67.41 1qbl n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qbl n GLY 66 N -0.54 -0.70 3.60 5.00 0.00 -1.26 -1.60 105.19 109.69 1qbl n GLY 66 Ca -0.03 -2.19 0.01 0.00 0.00 0.00 0.00 46.02 43.81 1qbl n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qbl s SER 67 N -4.00 -0.01 0.25 1.61 1.04 -1.13 -4.95 113.70 106.51 1qbl s SER 67 Ca 0.00 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1qbl s SER 67 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1qbl s SER 67 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1qbl n GLY 68 N -0.28 0.85 0.00 7.32 0.00 -1.26 -2.66 105.19 109.16 1qbl n GLY 68 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1qbl n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qbl n THR 69 N 0.00 0.00 -3.95 2.61 -2.24 -1.26 -1.45 114.28 107.99 1qbl n THR 69 Ca 0.00 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.30 1qbl n THR 69 Cb 0.00 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 1qbl n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qbl s GLN 70 N -1.19 3.25 0.15 -0.78 0.74 -1.09 -0.01 119.66 120.73 1qbl s GLN 70 Ca 0.00 -0.70 0.09 0.00 0.05 0.00 0.00 55.36 54.80 1qbl s GLN 70 Cb 0.00 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 1qbl s GLN 70 CO 0.00 -0.22 -0.21 0.71 -0.55 0.00 0.00 175.29 175.02 1qbl s TYR 71 N 1.43 1.96 -0.00 1.67 1.51 -0.27 -2.86 117.35 120.79 1qbl s TYR 71 Ca 0.05 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1qbl s TYR 71 Cb -0.14 -1.01 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1qbl s TYR 71 CO -0.05 0.33 -0.01 -1.12 -1.11 0.00 0.00 175.55 173.59 1qbl s SER 72 N -2.39 0.22 -0.23 2.29 0.01 -0.63 -1.30 113.70 111.68 1qbl s SER 72 Ca 0.14 -0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 1qbl s SER 72 Cb -0.08 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 66.09 1qbl s SER 72 CO 0.07 0.01 0.02 -0.22 0.41 0.00 0.00 173.24 173.52 1qbl s LEU 73 N 0.09 3.25 -0.00 2.44 2.96 0.51 -1.19 118.68 126.74 1qbl s LEU 73 Ca -0.01 -0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1qbl s LEU 73 Cb -0.02 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 1qbl s LEU 73 CO -0.00 -0.00 -0.23 -0.75 -1.32 0.00 0.00 176.35 174.05 1qbl s LYS 74 N 1.40 2.12 -0.28 1.98 2.20 0.16 -0.59 119.74 126.72 1qbl s LYS 74 Ca 0.05 -0.93 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 1qbl s LYS 74 Cb -0.15 -2.11 0.08 0.00 -1.51 0.00 0.00 37.83 34.14 1qbl s LYS 74 CO 0.01 0.56 0.01 0.42 -0.36 0.00 0.00 175.35 175.99 1qbl s ILE 75 N -0.72 1.67 0.04 5.43 1.01 0.17 -1.72 121.20 127.08 1qbl s ILE 75 Ca 0.11 -1.63 -0.25 0.00 0.00 0.00 0.00 60.65 58.88 1qbl s ILE 75 Cb -0.10 -2.07 -0.14 0.00 0.01 0.00 0.00 42.46 40.16 1qbl s ILE 75 CO 0.01 -0.37 1.38 -1.13 0.00 0.00 0.00 174.94 174.83 1qbl h ASN 76 N 7.87 -0.77 -3.73 3.58 -1.24 -0.68 0.11 115.58 120.71 1qbl h ASN 76 Ca -0.13 0.03 -0.65 0.00 0.71 0.00 0.00 56.30 56.26 1qbl h ASN 76 Cb 1.04 0.20 -0.40 0.00 0.73 0.00 0.00 38.32 39.90 1qbl h ASN 76 CO 0.46 -0.55 -0.49 -0.55 -1.29 0.00 0.00 177.43 175.01 1qbl s SER 77 N -3.33 4.88 -0.43 1.15 0.15 -1.26 -3.18 113.70 111.69 1qbl s SER 77 Ca -0.13 -3.41 -0.43 0.00 0.70 0.00 0.00 55.95 52.67 1qbl s SER 77 Cb 0.01 -1.71 -0.18 0.00 -1.71 0.00 0.00 66.02 62.44 1qbl s SER 77 CO 0.40 -0.19 1.87 0.18 1.20 0.00 0.00 173.24 176.70 1qbl n LEU 78 N 2.62 1.48 -4.93 3.45 4.77 -0.43 -4.63 117.00 119.33 1qbl n LEU 78 Ca 0.13 0.91 -0.27 0.00 -0.03 0.00 0.00 56.01 56.75 1qbl n LEU 78 Cb 0.35 -1.00 -0.03 0.00 -2.33 0.00 0.00 43.42 40.40 1qbl n LEU 78 CO 0.32 -0.70 -0.12 -1.10 -1.33 0.00 0.00 177.39 174.46 1qbl s GLN 79 N 4.45 3.41 0.52 3.23 -1.52 -1.26 -0.40 119.66 128.10 1qbl s GLN 79 Ca 1.09 -0.57 0.32 0.00 -1.95 0.00 0.00 55.36 54.25 1qbl s GLN 79 Cb -1.31 -2.97 1.46 0.00 -0.22 0.00 0.00 33.01 29.97 1qbl s GLN 79 CO 0.69 0.54 1.84 -1.35 -0.25 0.00 0.00 175.29 176.77 1qbl h PRO 80 N 2.41 0.05 -0.00 2.91 0.11 -1.98 -0.50 132.00 135.00 1qbl h PRO 80 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qbl h PRO 80 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qbl h PRO 80 CO 0.70 0.03 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 1qbl n GLU 81 N -4.27 1.15 0.11 1.05 0.00 -1.26 -3.51 120.64 113.91 1qbl n GLU 81 Ca 0.22 -0.22 0.05 0.00 0.00 0.00 0.00 57.16 57.22 1qbl n GLU 81 Cb 1.07 -1.49 0.01 0.00 0.00 0.00 0.00 31.44 31.02 1qbl n GLU 81 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1qbl h ASP 82 N 0.53 0.00 -2.62 -1.84 3.32 -1.48 -3.46 116.42 110.87 1qbl h ASP 82 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1qbl h ASP 82 Cb 0.11 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.71 1qbl h ASP 82 CO 0.00 0.33 1.05 -0.36 -1.72 0.00 0.00 179.24 178.54 1qbl s PHE 83 N -3.08 2.54 -5.00 4.55 0.08 -1.23 -4.78 117.98 111.06 1qbl s PHE 83 Ca 0.02 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.26 1qbl s PHE 83 Cb 0.08 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 1qbl s PHE 83 CO 0.76 -4.46 0.00 0.41 -0.10 0.00 0.00 175.22 171.83 1qbl n GLY 84 N 4.08 -0.37 3.69 4.36 0.00 -1.08 -4.84 105.19 111.02 1qbl n GLY 84 Ca 0.17 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1qbl n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qbl s SER 85 N -4.00 5.11 0.03 1.61 0.01 -0.14 -1.04 113.70 115.28 1qbl s SER 85 Ca 0.00 -0.10 0.07 0.00 1.31 0.00 0.00 55.95 57.23 1qbl s SER 85 Cb 0.00 -1.28 -0.02 0.00 0.21 0.00 0.00 66.02 64.93 1qbl s SER 85 CO 0.00 0.21 -0.19 -0.31 0.41 0.00 0.00 173.24 173.36 1qbl s TYR 86 N -1.23 1.70 -0.01 2.43 1.51 -0.57 0.52 117.35 121.69 1qbl s TYR 86 Ca 0.24 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1qbl s TYR 86 Cb -0.12 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.72 1qbl s TYR 86 CO 0.16 0.06 0.03 0.71 -1.11 0.00 0.00 175.55 175.39 1qbl s TYR 87 N -0.74 -0.02 0.20 2.71 2.02 -0.35 -1.39 117.35 119.78 1qbl s TYR 87 Ca 0.07 0.09 0.03 0.00 -0.37 0.00 0.00 57.07 56.88 1qbl s TYR 87 Cb -0.08 -0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1qbl s TYR 87 CO 0.01 -0.04 0.34 0.00 -1.57 0.00 0.00 175.55 174.30 1qbl s GLN 89 N -3.56 0.22 0.07 0.00 0.74 -0.10 0.20 119.66 117.23 1qbl s GLN 89 Ca 0.35 0.44 -0.05 0.00 0.05 0.00 0.00 55.36 56.16 1qbl s GLN 89 Cb -0.10 -0.04 -0.05 0.00 1.10 0.00 0.00 33.01 33.91 1qbl s GLN 89 CO 0.29 -0.12 0.31 -3.38 -0.55 0.00 0.00 175.29 171.84 1qbl s HIS 90 N 0.88 3.53 -0.13 1.67 -3.43 -0.65 -0.30 115.29 116.85 1qbl s HIS 90 Ca -0.06 0.53 0.16 0.00 -0.80 0.00 0.00 55.06 54.88 1qbl s HIS 90 Cb -0.08 -1.97 0.41 0.00 -1.43 0.00 0.00 32.58 29.51 1qbl s HIS 90 CO -0.05 0.53 1.20 1.97 -2.00 0.00 0.00 174.74 176.38 1qbl n PHE 91 N 0.56 0.00 0.12 0.38 -1.74 0.05 -3.84 117.46 113.00 1qbl n PHE 91 Ca -0.06 -1.11 -0.09 0.00 -0.56 0.00 0.00 57.45 55.62 1qbl n PHE 91 Cb 0.52 -0.21 -0.05 0.00 1.52 0.00 0.00 39.48 41.26 1qbl n PHE 91 CO 0.00 0.00 0.00 2.35 -0.56 0.00 0.00 176.76 178.55 1qbl h TRP 92 N 0.93 -0.36 -3.92 2.97 2.91 -1.83 -3.48 115.95 113.18 1qbl h TRP 92 Ca -0.08 -0.01 -0.23 0.00 1.13 0.00 0.00 58.89 59.71 1qbl h TRP 92 Cb 1.31 0.12 -0.17 0.00 -0.51 0.00 0.00 29.16 29.90 1qbl h TRP 92 CO 0.52 -0.09 -0.71 -1.54 -1.03 0.00 0.00 178.44 175.59 1qbl s SER 93 N -5.17 0.93 -0.01 2.65 1.04 -1.26 -5.11 113.70 106.78 1qbl s SER 93 Ca -0.09 -0.82 -0.30 0.00 0.48 0.00 0.00 55.95 55.22 1qbl s SER 93 Cb 0.01 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1qbl s SER 93 CO 0.31 -0.38 1.25 -0.89 0.98 0.00 0.00 173.24 174.52 1qbl s THR 94 N -2.76 4.05 0.24 2.02 2.01 -1.26 -3.08 115.64 116.86 1qbl s THR 94 Ca 0.02 1.42 -0.27 0.00 0.31 0.00 0.00 61.69 63.18 1qbl s THR 94 Cb -0.01 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 1qbl s THR 94 CO -0.03 0.03 0.88 -2.16 -0.69 0.00 0.00 174.62 172.64 1qbl s PRO 95 N 1.95 4.65 -1.16 4.92 0.04 -1.26 -2.46 135.00 141.67 1qbl s PRO 95 Ca 0.59 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1qbl s PRO 95 Cb -0.28 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1qbl s PRO 95 CO 0.25 0.46 1.74 -1.58 0.04 0.00 0.00 177.00 177.91 1qbl s TRP 96 N -1.33 2.42 0.35 0.56 0.52 -1.18 -4.22 118.94 116.08 1qbl s TRP 96 Ca 0.42 -0.71 -0.26 0.00 0.02 0.00 0.00 56.10 55.57 1qbl s TRP 96 Cb -0.22 -4.49 -0.09 0.00 -1.15 0.00 0.00 33.47 27.51 1qbl s TRP 96 CO 0.27 -1.69 1.07 0.99 0.02 0.00 0.00 176.95 177.61 1qbl s THR 97 N 6.62 3.60 0.03 2.01 2.01 -1.25 -4.77 115.64 123.89 1qbl s THR 97 Ca 0.57 1.37 -0.04 0.00 0.31 0.00 0.00 61.69 63.90 1qbl s THR 97 Cb 0.01 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1qbl s THR 97 CO 0.04 0.15 0.26 -0.36 -0.69 0.00 0.00 174.62 174.01 1qbl s PHE 98 N -1.46 3.55 0.84 4.92 0.08 -1.26 -1.64 117.98 123.00 1qbl s PHE 98 Ca 0.53 0.47 -0.12 0.00 0.12 0.00 0.00 56.93 57.93 1qbl s PHE 98 Cb -0.26 -1.92 0.09 0.00 -0.57 0.00 0.00 43.02 40.37 1qbl s PHE 98 CO 0.33 0.59 1.11 0.20 -0.10 0.00 0.00 175.22 177.35 1qbl s GLY 99 N -2.00 1.61 0.00 4.36 0.00 0.13 -4.57 107.32 106.85 1qbl s GLY 99 Ca 0.31 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.83 1qbl s GLY 99 CO 0.20 0.19 1.25 0.61 0.00 0.00 0.00 173.10 175.35 1qbl n GLY 100 N -2.04 -0.75 0.00 0.20 0.00 -1.26 -4.54 105.19 96.80 1qbl n GLY 100 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1qbl n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qbl n GLY 101 N -0.63 0.83 2.87 -0.02 0.00 -1.26 -5.04 105.19 101.93 1qbl n GLY 101 Ca 0.02 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 1qbl n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qbl s THR 102 N -2.98 0.38 -0.39 2.61 2.01 -0.48 -4.33 115.64 112.46 1qbl s THR 102 Ca 0.00 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.83 1qbl s THR 102 Cb 0.00 -0.42 0.03 0.00 0.01 0.00 0.00 72.50 72.11 1qbl s THR 102 CO 0.00 0.18 0.24 -0.75 -0.69 0.00 0.00 174.62 173.60 1qbl s LYS 103 N 0.86 2.86 -0.35 4.92 2.20 0.10 -1.52 119.74 128.81 1qbl s LYS 103 Ca -0.10 -1.08 -0.22 0.00 -0.36 0.00 0.00 55.97 54.21 1qbl s LYS 103 Cb -0.13 -3.82 0.01 0.00 -1.51 0.00 0.00 37.83 32.38 1qbl s LYS 103 CO -0.01 -0.73 0.73 -1.17 -0.36 0.00 0.00 175.35 173.82 1qbl s LEU 104 N 1.59 4.16 0.26 5.43 2.96 -0.21 -0.90 118.68 131.97 1qbl s LEU 104 Ca 0.03 0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.33 1qbl s LEU 104 Cb -0.19 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 1qbl s LEU 104 CO 0.08 -0.67 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.54 1qbl s GLU 105 N 2.94 1.48 -0.26 1.98 4.04 0.58 -2.64 118.70 126.83 1qbl s GLU 105 Ca 0.29 -1.73 -0.29 0.00 0.04 0.00 0.00 54.97 53.28 1qbl s GLU 105 Cb -0.14 -1.09 -0.00 0.00 0.02 0.00 0.00 34.13 32.92 1qbl s GLU 105 CO 0.16 0.05 1.28 0.42 -1.84 0.00 0.00 175.26 175.33 1qbl s ILE 106 N -3.05 4.21 0.25 1.83 1.01 -1.26 -0.39 121.20 123.79 1qbl s ILE 106 Ca 0.28 1.40 -0.20 0.00 0.00 0.00 0.00 60.65 62.12 1qbl s ILE 106 Cb 0.03 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1qbl s ILE 106 CO 0.10 -0.37 0.76 -1.59 0.00 0.00 0.00 174.94 173.85 1qbl s LYS 107 N 3.93 4.28 0.25 2.79 -2.85 -0.28 -4.84 119.74 123.02 1qbl s LYS 107 Ca 0.55 0.93 -0.01 0.00 -1.00 0.00 0.00 55.97 56.44 1qbl s LYS 107 Cb -0.18 -2.82 0.00 0.00 -2.06 0.00 0.00 37.83 32.77 1qbl s LYS 107 CO 0.20 0.35 0.34 2.89 0.10 0.00 0.00 175.35 179.23 1qbl n ARG 108 N 0.60 0.48 -1.83 1.78 1.85 -1.26 -4.86 116.66 113.42 1qbl n ARG 108 Ca -0.01 -2.00 -0.33 0.00 -1.00 0.00 0.00 57.85 54.51 1qbl n ARG 108 Cb 0.51 1.91 0.04 0.00 -1.05 0.00 0.00 32.46 33.87 1qbl n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qbl s ALA 109 N -2.46 2.51 0.65 2.89 0.00 -1.26 -4.98 121.76 119.12 1qbl s ALA 109 Ca 0.21 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 1qbl s ALA 109 Cb -0.01 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.79 1qbl s ALA 109 CO 0.15 -1.19 1.26 -0.51 0.00 0.00 0.00 175.76 175.47 1qbl s ASP 110 N -2.51 4.66 -0.18 0.00 1.11 -1.26 -4.79 116.67 113.70 1qbl s ASP 110 Ca 0.67 2.52 -0.06 0.00 0.18 0.00 0.00 52.55 55.86 1qbl s ASP 110 Cb -0.21 -2.61 0.09 0.00 1.07 0.00 0.00 42.92 41.26 1qbl s ASP 110 CO 0.40 -1.96 0.38 0.00 1.18 0.00 0.00 175.17 175.17 1qbl s ALA 111 N -1.55 -1.02 0.57 5.23 0.00 -0.53 -4.91 121.76 119.56 1qbl s ALA 111 Ca 0.80 1.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.93 1qbl s ALA 111 Cb -0.34 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1qbl s ALA 111 CO 0.39 -0.75 1.14 0.00 0.00 0.00 0.00 175.76 176.55 1qbl s ALA 112 N 2.57 2.64 0.47 0.00 0.00 -1.26 -0.73 121.76 125.44 1qbl s ALA 112 Ca -0.01 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 1qbl s ALA 112 Cb -0.12 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1qbl s ALA 112 CO -0.12 -0.91 1.03 -1.25 0.00 0.00 0.00 175.76 174.51 1qbl s PRO 113 N -3.38 3.89 -0.47 0.00 0.04 -1.26 -4.48 135.00 129.34 1qbl s PRO 113 Ca 0.73 1.36 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 1qbl s PRO 113 Cb -0.25 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.15 1qbl s PRO 113 CO 0.30 -0.35 0.74 0.99 0.04 0.00 0.00 177.00 178.71 1qbl s THR 114 N -1.95 4.70 -0.14 1.26 2.01 0.76 -4.83 115.64 117.45 1qbl s THR 114 Ca 0.65 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.72 1qbl s THR 114 Cb -0.17 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1qbl s THR 114 CO 0.20 -0.75 0.17 -0.69 -0.69 0.00 0.00 174.62 172.87 1qbl s VAL 115 N 3.13 5.42 -0.03 3.82 1.01 -1.26 -0.45 120.40 132.05 1qbl s VAL 115 Ca 0.25 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1qbl s VAL 115 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1qbl s VAL 115 CO 0.19 0.53 0.01 -0.44 0.00 0.00 0.00 175.10 175.39 1qbl s SER 116 N -0.37 0.41 -0.05 3.32 0.01 0.97 -4.97 113.70 113.01 1qbl s SER 116 Ca 0.13 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1qbl s SER 116 Cb -0.12 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1qbl s SER 116 CO 0.03 -0.11 -0.07 -0.51 0.41 0.00 0.00 173.24 172.98 1qbl s ILE 117 N 1.10 3.68 -0.09 1.44 2.07 -1.26 -0.11 121.20 128.03 1qbl s ILE 117 Ca -0.09 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 1qbl s ILE 117 Cb -0.13 -2.52 0.02 0.00 0.13 0.00 0.00 42.46 39.96 1qbl s ILE 117 CO -0.02 0.56 -0.07 -0.36 -1.91 0.00 0.00 174.94 173.14 1qbl s PHE 118 N -0.84 1.27 0.98 3.50 0.40 0.17 -4.99 117.98 118.47 1qbl s PHE 118 Ca 0.13 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.79 1qbl s PHE 118 Cb -0.11 -1.07 0.18 0.00 0.51 0.00 0.00 43.02 42.53 1qbl s PHE 118 CO 0.02 -0.41 1.08 -1.25 0.70 0.00 0.00 175.22 175.37 1qbl s PRO 119 N 1.47 0.57 0.71 0.24 0.04 -1.26 -1.42 135.00 135.35 1qbl s PRO 119 Ca -0.00 0.79 -0.16 0.00 0.04 0.00 0.00 61.00 61.66 1qbl s PRO 119 Cb -0.13 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1qbl s PRO 119 CO -0.05 -2.71 1.25 -2.14 0.04 0.00 0.00 177.00 173.40 1qbl s PRO 120 N -4.83 2.20 0.35 0.56 0.02 -1.19 -4.80 135.00 127.32 1qbl s PRO 120 Ca 0.65 1.92 -0.21 0.00 0.02 0.00 0.00 61.00 63.38 1qbl s PRO 120 Cb -0.20 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 1qbl s PRO 120 CO 0.59 -1.83 0.89 -1.54 -0.33 0.00 0.00 177.00 174.77 1qbl s SER 121 N -1.73 7.05 0.53 2.53 1.04 -1.26 -4.93 113.70 116.92 1qbl s SER 121 Ca 0.78 1.64 0.20 0.00 0.48 0.00 0.00 55.95 59.05 1qbl s SER 121 Cb -0.33 -2.51 1.38 0.00 0.10 0.00 0.00 66.02 64.66 1qbl s SER 121 CO 0.44 -0.20 2.14 0.77 0.98 0.00 0.00 173.24 177.37 1qbl h SER 122 N 2.54 0.00 0.96 7.02 4.64 -1.99 0.78 113.55 127.50 1qbl h SER 122 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1qbl h SER 122 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1qbl h SER 122 CO 0.63 0.05 0.00 -0.33 -0.87 0.00 0.00 176.83 176.31 1qbl h GLU 123 N 0.00 0.00 0.03 4.77 5.08 -1.98 0.21 114.58 122.68 1qbl h GLU 123 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1qbl h GLU 123 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1qbl h GLU 123 CO 0.01 0.00 -2.14 0.94 -1.00 0.00 0.00 179.01 176.82 1qbl n GLN 124 N -2.51 0.68 -0.11 2.33 7.27 0.12 -3.94 117.38 121.22 1qbl n GLN 124 Ca 0.02 0.17 -0.10 0.00 0.07 0.00 0.00 57.00 57.16 1qbl n GLN 124 Cb 0.29 -1.64 -0.02 0.00 2.41 0.00 0.00 30.24 31.28 1qbl n GLN 124 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1qbl h LEU 125 N 0.01 0.46 -1.96 1.69 3.38 -0.72 -1.88 115.31 116.29 1qbl h LEU 125 Ca -0.46 -0.18 0.22 0.00 0.09 0.00 0.00 57.88 57.56 1qbl h LEU 125 Cb 2.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 1qbl h LEU 125 CO 0.03 0.51 0.56 0.74 0.09 0.00 0.00 178.44 180.38 1qbl h THR 126 N 0.37 0.62 0.00 0.22 2.02 -1.14 0.22 112.91 115.22 1qbl h THR 126 Ca 0.11 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1qbl h THR 126 Cb 0.21 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1qbl h THR 126 CO -0.01 0.01 -0.53 -1.20 0.37 0.00 0.00 175.52 174.16 1qbl n SER 127 N -4.32 0.52 0.00 4.18 7.64 -0.75 -4.95 113.62 115.95 1qbl n SER 127 Ca 0.16 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1qbl n SER 127 Cb 0.83 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.28 1qbl n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbl n GLY 128 N 1.47 0.82 3.79 0.23 0.00 0.07 -5.06 105.19 106.51 1qbl n GLY 128 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1qbl n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qbl s GLY 129 N -2.10 1.50 -0.28 -0.02 0.00 -0.96 0.29 107.32 105.75 1qbl s GLY 129 Ca 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.24 1qbl s GLY 129 CO 0.00 -1.52 0.40 0.00 0.00 0.00 0.00 173.10 171.98 1qbl s ALA 130 N -2.19 -1.15 -0.18 3.20 0.00 0.32 -3.22 121.76 118.54 1qbl s ALA 130 Ca 0.33 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 1qbl s ALA 130 Cb -0.07 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1qbl s ALA 130 CO 0.24 -1.67 0.04 -1.12 0.00 0.00 0.00 175.76 173.25 1qbl s SER 131 N 2.53 5.35 -0.19 0.00 0.01 -1.26 -0.33 113.70 119.82 1qbl s SER 131 Ca 0.10 -0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.27 1qbl s SER 131 Cb -0.13 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1qbl s SER 131 CO -0.28 0.15 0.09 -0.69 0.41 0.00 0.00 173.24 172.92 1qbl s VAL 132 N 0.52 5.06 -0.02 3.43 1.01 0.04 -3.16 120.40 127.28 1qbl s VAL 132 Ca 0.01 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1qbl s VAL 132 Cb -0.13 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1qbl s VAL 132 CO 0.01 0.45 -0.24 -0.69 0.00 0.00 0.00 175.10 174.64 1qbl s VAL 133 N 0.39 2.27 -0.10 2.92 1.01 -0.51 0.28 120.40 126.67 1qbl s VAL 133 Ca 0.05 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1qbl s VAL 133 Cb -0.12 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1qbl s VAL 133 CO -0.01 0.55 -0.13 0.00 0.00 0.00 0.00 175.10 175.52 1qbl s PHE 135 N 1.11 3.15 -0.48 0.00 0.08 0.85 -1.48 117.98 121.21 1qbl s PHE 135 Ca -0.05 -0.12 0.03 0.00 0.12 0.00 0.00 56.93 56.91 1qbl s PHE 135 Cb -0.14 -2.06 0.13 0.00 -0.57 0.00 0.00 43.02 40.37 1qbl s PHE 135 CO -0.03 0.02 0.24 -0.51 -0.10 0.00 0.00 175.22 174.84 1qbl s LEU 136 N 0.56 3.84 0.24 -0.37 1.02 -0.67 -0.02 118.68 123.28 1qbl s LEU 136 Ca 0.01 -2.82 0.07 0.00 0.02 0.00 0.00 54.13 51.41 1qbl s LEU 136 Cb -0.13 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.59 1qbl s LEU 136 CO 0.02 -0.25 0.16 0.20 0.02 0.00 0.00 176.35 176.49 1qbl s ASN 137 N 0.01 5.39 -1.25 2.29 0.02 0.41 -1.46 114.94 120.35 1qbl s ASN 137 Ca 0.17 -0.28 -0.06 0.00 -1.02 0.00 0.00 52.86 51.67 1qbl s ASN 137 Cb -0.25 -1.34 -0.01 0.00 0.02 0.00 0.00 41.25 39.67 1qbl s ASN 137 CO -0.01 -0.01 0.71 0.59 0.02 0.00 0.00 177.10 178.39 1qbl n ASN 138 N -0.99 -2.56 -4.80 -1.22 3.02 -0.77 -0.17 115.26 107.77 1qbl n ASN 138 Ca -0.08 -0.88 -0.22 0.00 -0.03 0.00 0.00 54.58 53.37 1qbl n ASN 138 Cb 0.57 -3.88 -0.05 0.00 -0.61 0.00 0.00 39.78 35.82 1qbl n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1qbl s PHE 139 N -3.63 2.81 -0.28 3.10 -0.12 -0.39 -4.59 117.98 114.87 1qbl s PHE 139 Ca 0.16 -0.35 -0.19 0.00 -0.05 0.00 0.00 56.93 56.50 1qbl s PHE 139 Cb -0.05 -1.75 0.08 0.00 -0.63 0.00 0.00 43.02 40.68 1qbl s PHE 139 CO 0.83 0.24 0.73 -0.47 -0.05 0.00 0.00 175.22 176.49 1qbl s TYR 140 N -2.37 -0.94 1.12 3.49 6.14 0.09 -0.78 117.35 124.10 1qbl s TYR 140 Ca 0.40 1.99 -0.17 0.00 0.64 0.00 0.00 57.07 59.93 1qbl s TYR 140 Cb -0.04 0.51 0.25 0.00 0.42 0.00 0.00 41.96 43.09 1qbl s TYR 140 CO 0.25 -0.46 1.13 -1.25 0.64 0.00 0.00 175.55 175.86 1qbl s PRO 141 N 1.22 -0.53 0.00 4.97 0.04 -1.26 -1.45 135.00 137.99 1qbl s PRO 141 Ca -0.07 0.04 0.14 0.00 0.04 0.00 0.00 61.00 61.15 1qbl s PRO 141 Cb -0.05 -1.67 0.71 0.00 0.04 0.00 0.00 34.50 33.53 1qbl s PRO 141 CO -0.13 -3.28 1.38 0.36 0.04 0.00 0.00 177.00 175.37 1qbl n LYS 142 N -4.47 0.20 -2.64 4.56 2.85 -1.26 -4.77 118.16 112.63 1qbl n LYS 142 Ca 0.11 0.15 -0.41 0.00 -1.05 0.00 0.00 58.31 57.11 1qbl n LYS 142 Cb 0.59 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.43 1qbl n LYS 142 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qbl s ASP 143 N -2.58 7.36 -0.11 -5.58 2.15 -1.26 -5.01 116.67 111.64 1qbl s ASP 143 Ca 0.13 1.85 -0.30 0.00 0.43 0.00 0.00 52.55 54.66 1qbl s ASP 143 Cb 0.09 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.24 1qbl s ASP 143 CO 0.21 -0.21 0.91 -0.51 -0.17 0.00 0.00 175.17 175.41 1qbl s ILE 144 N 0.39 0.00 -0.01 4.11 2.07 -1.26 -4.60 121.20 121.90 1qbl s ILE 144 Ca 0.51 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1qbl s ILE 144 Cb -0.25 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.35 1qbl s ILE 144 CO 0.30 0.00 -0.01 0.20 -1.91 0.00 0.00 174.94 173.53 1qbl s ASN 145 N -1.37 0.20 0.08 4.50 -0.87 -0.87 -4.98 114.94 111.63 1qbl s ASN 145 Ca -0.02 -0.02 0.10 0.00 -1.57 0.00 0.00 52.86 51.35 1qbl s ASN 145 Cb -0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.13 1qbl s ASN 145 CO 0.01 -0.02 -0.25 0.68 -2.57 0.00 0.00 177.10 174.94 1qbl s VAL 146 N 0.32 2.30 -0.01 1.60 -7.23 -1.26 -0.44 120.40 115.68 1qbl s VAL 146 Ca -0.03 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1qbl s VAL 146 Cb -0.05 -1.96 0.01 0.00 0.56 0.00 0.00 36.38 34.94 1qbl s VAL 146 CO -0.01 0.24 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.42 1qbl s LYS 147 N -1.63 0.22 -0.09 4.82 -2.85 -0.73 -4.94 119.74 114.53 1qbl s LYS 147 Ca 0.13 -0.03 -0.06 0.00 -1.00 0.00 0.00 55.97 55.01 1qbl s LYS 147 Cb -0.10 -0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 35.35 1qbl s LYS 147 CO 0.04 -0.01 0.16 -1.58 0.10 0.00 0.00 175.35 174.06 1qbl s TRP 148 N 0.31 3.59 -0.09 1.78 0.52 -1.26 -0.49 118.94 123.30 1qbl s TRP 148 Ca -0.03 0.50 0.01 0.00 0.02 0.00 0.00 56.10 56.61 1qbl s TRP 148 Cb -0.05 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 1qbl s TRP 148 CO -0.01 0.72 -0.11 0.15 0.02 0.00 0.00 176.95 177.72 1qbl s LYS 149 N -1.23 1.73 -0.41 4.98 1.02 -0.56 -0.21 119.74 125.07 1qbl s LYS 149 Ca 0.18 -0.38 -0.07 0.00 0.02 0.00 0.00 55.97 55.72 1qbl s LYS 149 Cb -0.12 -1.56 0.09 0.00 -0.52 0.00 0.00 37.83 35.72 1qbl s LYS 149 CO 0.07 -0.09 0.23 0.42 -0.92 0.00 0.00 175.35 175.06 1qbl s ILE 150 N 1.09 3.83 -1.18 2.17 1.01 -0.01 -1.50 121.20 126.60 1qbl s ILE 150 Ca -0.06 -1.65 -0.06 0.00 0.00 0.00 0.00 60.65 58.88 1qbl s ILE 150 Cb -0.14 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1qbl s ILE 150 CO -0.02 -0.56 1.02 0.47 0.00 0.00 0.00 174.94 175.85 1qbl n ASP 151 N 4.79 -4.81 0.00 3.58 8.00 -0.01 -2.64 116.55 125.46 1qbl n ASP 151 Ca -0.08 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1qbl n ASP 151 Cb 0.42 -4.61 0.00 0.00 -0.02 0.00 0.00 41.12 36.91 1qbl n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qbl n GLY 152 N -1.65 2.68 3.70 0.44 0.00 -1.26 -5.01 105.19 104.10 1qbl n GLY 152 Ca -0.07 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1qbl n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qbl s SER 153 N 0.44 7.06 0.59 1.61 0.01 -1.08 -4.93 113.70 117.39 1qbl s SER 153 Ca 0.00 1.28 -0.20 0.00 1.31 0.00 0.00 55.95 58.34 1qbl s SER 153 Cb 0.00 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 1qbl s SER 153 CO 0.00 -0.22 1.27 -0.70 0.41 0.00 0.00 173.24 174.00 1qbl s GLU 154 N 1.20 2.94 -0.07 12.44 2.12 -1.26 -0.83 118.70 135.25 1qbl s GLU 154 Ca 0.41 1.99 0.02 0.00 0.36 0.00 0.00 54.97 57.75 1qbl s GLU 154 Cb -0.18 -2.02 0.02 0.00 0.26 0.00 0.00 34.13 32.21 1qbl s GLU 154 CO 0.19 -1.27 -0.10 0.50 -0.54 0.00 0.00 175.26 174.03 1qbl s ARG 155 N -3.20 1.52 -0.11 4.30 6.06 0.71 -4.83 118.95 123.40 1qbl s ARG 155 Ca 0.77 -0.34 0.03 0.00 -2.50 0.00 0.00 55.73 53.69 1qbl s ARG 155 Cb -0.35 -1.33 -0.09 0.00 0.06 0.00 0.00 34.95 33.24 1qbl s ARG 155 CO 0.39 -0.03 -0.07 1.04 -2.50 0.00 0.00 175.30 174.13 1qbl n GLN 156 N 4.01 0.93 -2.69 5.12 6.02 -1.26 -4.13 117.38 125.38 1qbl n GLN 156 Ca -0.22 0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.42 1qbl n GLN 156 Cb 0.51 -1.24 -0.05 0.00 1.02 0.00 0.00 30.24 30.47 1qbl n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1qbl s ASN 157 N -4.89 7.55 0.00 1.08 -0.87 -1.26 -3.84 114.94 112.71 1qbl s ASN 157 Ca -0.13 2.01 0.00 0.00 -1.57 0.00 0.00 52.86 53.17 1qbl s ASN 157 Cb 0.04 -2.61 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 1qbl s ASN 157 CO 0.31 0.07 0.00 0.61 -2.57 0.00 0.00 177.10 175.53 1qbl n GLY 158 N 1.49 0.68 3.52 0.66 0.00 -1.26 -4.89 105.19 105.38 1qbl n GLY 158 Ca -0.01 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1qbl n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qbl s VAL 159 N -2.00 4.07 -0.26 1.61 1.01 -1.25 -0.51 120.40 123.07 1qbl s VAL 159 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1qbl s VAL 159 Cb 0.00 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1qbl s VAL 159 CO 0.00 0.48 -0.06 -0.22 0.00 0.00 0.00 175.10 175.30 1qbl s LEU 160 N 0.46 3.43 0.01 3.92 1.98 0.70 -4.96 118.68 124.21 1qbl s LEU 160 Ca -0.02 -1.11 0.01 0.00 -2.89 0.00 0.00 54.13 50.12 1qbl s LEU 160 Cb -0.14 -1.65 -0.04 0.00 0.66 0.00 0.00 46.19 45.03 1qbl s LEU 160 CO 0.02 -0.18 0.04 0.20 -1.89 0.00 0.00 176.35 174.54 1qbl s ASN 161 N 1.25 5.36 -0.10 3.68 0.01 -1.26 -0.10 114.94 123.78 1qbl s ASN 161 Ca -0.03 0.04 -0.09 0.00 -0.71 0.00 0.00 52.86 52.07 1qbl s ASN 161 Cb -0.18 -1.45 0.03 0.00 0.41 0.00 0.00 41.25 40.05 1qbl s ASN 161 CO -0.04 0.26 0.26 -0.55 -1.51 0.00 0.00 177.10 175.52 1qbl s SER 162 N -1.75 -0.27 0.05 -1.22 0.15 0.63 -4.98 113.70 106.31 1qbl s SER 162 Ca 0.22 0.52 0.07 0.00 0.70 0.00 0.00 55.95 57.46 1qbl s SER 162 Cb -0.12 0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1qbl s SER 162 CO 0.13 -0.10 -0.19 0.26 1.20 0.00 0.00 173.24 174.55 1qbl s TRP 163 N 0.21 1.66 0.62 3.44 0.51 -1.26 -0.26 118.94 123.87 1qbl s TRP 163 Ca -0.01 -0.38 -0.01 0.00 -2.12 0.00 0.00 56.10 53.58 1qbl s TRP 163 Cb -0.02 -0.97 0.06 0.00 -0.81 0.00 0.00 33.47 31.72 1qbl s TRP 163 CO -0.00 0.10 0.88 0.95 -0.51 0.00 0.00 176.95 178.37 1qbl s THR 164 N -0.89 2.47 0.85 2.01 -4.23 -0.76 -5.02 115.64 110.06 1qbl s THR 164 Ca 0.06 -0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 59.90 1qbl s THR 164 Cb -0.09 -2.92 0.12 0.00 1.34 0.00 0.00 72.50 70.95 1qbl s THR 164 CO 0.02 0.00 1.21 -1.81 -0.54 0.00 0.00 174.62 173.50 1qbl s ASP 165 N -4.51 4.06 0.17 3.99 1.01 -1.26 -4.62 116.67 115.50 1qbl s ASP 165 Ca 0.60 0.55 -0.32 0.00 0.71 0.00 0.00 52.55 54.10 1qbl s ASP 165 Cb -0.10 -0.91 -0.10 0.00 1.01 0.00 0.00 42.92 42.83 1qbl s ASP 165 CO 0.41 -2.16 1.57 -1.58 0.21 0.00 0.00 175.17 173.62 1qbl s GLN 166 N -5.65 4.21 0.32 8.23 0.74 -1.26 -4.69 119.66 121.57 1qbl s GLN 166 Ca 0.66 2.36 -0.29 0.00 0.05 0.00 0.00 55.36 58.14 1qbl s GLN 166 Cb -0.08 -3.15 -0.11 0.00 1.10 0.00 0.00 33.01 30.76 1qbl s GLN 166 CO 0.50 -0.61 1.52 0.34 -0.55 0.00 0.00 175.29 176.49 1qbl s ASP 167 N 1.13 6.42 0.26 6.67 2.15 0.32 -4.85 116.67 128.78 1qbl s ASP 167 Ca 0.70 2.93 0.02 0.00 0.43 0.00 0.00 52.55 56.63 1qbl s ASP 167 Cb -0.44 -2.65 0.35 0.00 -0.30 0.00 0.00 42.92 39.88 1qbl s ASP 167 CO 0.31 -0.85 1.67 0.77 -0.17 0.00 0.00 175.17 176.90 1qbl h SER 168 N 4.14 0.46 0.00 -0.34 4.64 -1.91 0.93 113.55 121.47 1qbl h SER 168 Ca -0.48 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1qbl h SER 168 Cb 1.23 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1qbl h SER 168 CO 0.73 0.78 -0.09 0.50 -0.87 0.00 0.00 176.83 177.88 1qbl h LYS 169 N 0.38 0.00 -0.02 4.77 1.63 -1.99 -3.42 116.57 117.92 1qbl h LYS 169 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1qbl h LYS 169 Cb 0.80 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1qbl h LYS 169 CO 0.06 0.00 -0.19 -0.40 -3.45 0.00 0.00 179.45 175.47 1qbl n ASP 170 N -4.31 2.35 -0.51 4.20 5.75 -1.25 -4.99 116.55 117.79 1qbl n ASP 170 Ca -0.01 -1.67 -0.07 0.00 -0.01 0.00 0.00 54.79 53.03 1qbl n ASP 170 Cb 0.05 0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 1qbl n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1qbl n SER 171 N 0.61 -4.93 -4.24 -1.12 7.64 0.32 -4.93 113.62 106.97 1qbl n SER 171 Ca 0.10 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.89 1qbl n SER 171 Cb 0.47 -3.02 0.16 0.00 -1.01 0.00 0.00 64.21 60.82 1qbl n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1qbl n THR 172 N -2.43 0.00 -4.45 0.44 -2.24 -1.26 -4.46 114.28 99.88 1qbl n THR 172 Ca -0.07 -1.29 -0.22 0.00 -2.27 0.00 0.00 64.05 60.20 1qbl n THR 172 Cb 0.41 -1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 1qbl n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1qbl s TYR 173 N -3.44 2.04 0.03 4.78 1.51 0.04 -0.52 117.35 121.80 1qbl s TYR 173 Ca 0.70 -0.65 -0.14 0.00 -1.01 0.00 0.00 57.07 55.97 1qbl s TYR 173 Cb -0.03 -1.16 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 1qbl s TYR 173 CO 0.48 0.35 0.30 -1.12 -1.11 0.00 0.00 175.55 174.44 1qbl s SER 174 N -3.47 -0.13 0.01 2.29 0.01 -1.26 -1.26 113.70 109.88 1qbl s SER 174 Ca 0.30 -0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.39 1qbl s SER 174 Cb 0.03 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 1qbl s SER 174 CO 0.13 -0.58 0.04 -0.32 0.41 0.00 0.00 173.24 172.92 1qbl s MET 175 N -2.29 0.37 -0.07 12.44 0.00 -0.53 -1.82 119.30 127.40 1qbl s MET 175 Ca -0.07 -0.51 0.04 0.00 0.00 0.00 0.00 55.69 55.15 1qbl s MET 175 Cb -0.02 0.14 -0.00 0.00 0.00 0.00 0.00 34.83 34.95 1qbl s MET 175 CO -0.02 -0.07 -0.21 0.45 0.00 0.00 0.00 175.02 175.17 1qbl s SER 176 N -1.40 2.66 -0.19 1.11 0.15 0.65 -1.67 113.70 115.01 1qbl s SER 176 Ca -0.15 -0.45 -0.02 0.00 0.70 0.00 0.00 55.95 56.03 1qbl s SER 176 Cb -0.09 -0.94 0.05 0.00 -1.71 0.00 0.00 66.02 63.33 1qbl s SER 176 CO 0.00 0.17 0.01 -0.55 1.20 0.00 0.00 173.24 174.06 1qbl s SER 177 N 0.15 2.92 -0.16 5.45 0.15 -0.55 -0.27 113.70 121.40 1qbl s SER 177 Ca -0.10 -0.79 -0.06 0.00 0.70 0.00 0.00 55.95 55.71 1qbl s SER 177 Cb -0.15 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.41 1qbl s SER 177 CO 0.05 -0.27 0.04 -0.89 1.20 0.00 0.00 173.24 173.37 1qbl s THR 178 N 1.77 4.58 -0.40 6.45 2.01 0.86 -1.14 115.64 129.77 1qbl s THR 178 Ca -0.01 -0.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.81 1qbl s THR 178 Cb -0.17 -3.03 0.08 0.00 0.01 0.00 0.00 72.50 69.40 1qbl s THR 178 CO -0.07 0.50 0.21 -0.22 -0.69 0.00 0.00 174.62 174.35 1qbl s LEU 179 N 0.07 5.00 -0.30 4.42 0.20 0.14 -0.22 118.68 127.99 1qbl s LEU 179 Ca 0.04 -1.59 -0.18 0.00 0.69 0.00 0.00 54.13 53.08 1qbl s LEU 179 Cb -0.12 -1.91 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1qbl s LEU 179 CO 0.01 -0.50 0.53 -0.89 -0.29 0.00 0.00 176.35 175.22 1qbl s THR 180 N 1.33 5.02 0.41 3.68 2.01 0.34 -0.78 115.64 127.66 1qbl s THR 180 Ca 0.03 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.76 1qbl s THR 180 Cb -0.22 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1qbl s THR 180 CO 0.00 -0.07 0.02 -0.76 -0.69 0.00 0.00 174.62 173.12 1qbl s LEU 181 N 2.40 2.71 0.29 4.42 1.43 0.55 -4.74 118.68 125.74 1qbl s LEU 181 Ca 0.21 -1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 51.87 1qbl s LEU 181 Cb -0.15 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 1qbl s LEU 181 CO 0.11 -0.53 0.52 0.42 0.23 0.00 0.00 176.35 177.10 1qbl s THR 182 N -2.81 5.09 0.38 5.49 -4.23 -1.26 -0.52 115.64 117.78 1qbl s THR 182 Ca 0.31 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.66 1qbl s THR 182 Cb 0.09 -3.78 0.26 0.00 1.34 0.00 0.00 72.50 70.40 1qbl s THR 182 CO 0.16 -0.38 2.02 0.50 -0.54 0.00 0.00 174.62 176.38 1qbl h LYS 183 N 1.41 0.67 -0.19 3.99 3.64 -0.36 -0.88 116.57 124.86 1qbl h LYS 183 Ca -0.48 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1qbl h LYS 183 Cb 1.20 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 1qbl h LYS 183 CO 0.65 0.46 -0.55 -0.44 -2.27 0.00 0.00 179.45 177.30 1qbl h ASP 184 N 0.69 -1.77 -0.45 4.20 3.32 -1.94 -1.73 116.42 118.74 1qbl h ASP 184 Ca 0.18 0.21 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 1qbl h ASP 184 Cb -0.05 0.70 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1qbl h ASP 184 CO -0.04 -0.47 -0.23 -0.08 -1.72 0.00 0.00 179.24 176.71 1qbl h GLU 185 N -0.55 0.95 -0.08 3.56 4.81 -1.89 -2.85 114.58 118.53 1qbl h GLU 185 Ca 0.04 -0.42 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1qbl h GLU 185 Cb 0.67 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1qbl h GLU 185 CO -0.47 1.08 0.11 -0.92 -0.73 0.00 0.00 179.01 178.08 1qbl h TYR 186 N 0.79 0.00 -0.01 0.92 3.20 -0.76 -2.58 116.97 118.54 1qbl h TYR 186 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1qbl h TYR 186 Cb 0.80 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1qbl h TYR 186 CO 0.06 0.00 -0.50 -1.91 -1.64 0.00 0.00 178.16 174.16 1qbl n GLU 187 N -3.66 0.58 -0.87 1.82 2.13 -0.69 -3.82 120.64 116.13 1qbl n GLU 187 Ca -0.01 -0.41 -0.07 0.00 0.66 0.00 0.00 57.16 57.33 1qbl n GLU 187 Cb 0.21 -1.49 0.21 0.00 0.27 0.00 0.00 31.44 30.63 1qbl n GLU 187 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1qbl n ARG 188 N -0.86 2.10 -3.97 5.31 1.85 -0.97 -4.96 116.66 115.16 1qbl n ARG 188 Ca 0.08 -3.12 -0.08 0.00 -1.00 0.00 0.00 57.85 53.73 1qbl n ARG 188 Cb 0.37 -1.91 -0.08 0.00 -1.05 0.00 0.00 32.46 29.79 1qbl n ARG 188 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1qbl s HIS 189 N -3.21 0.35 0.06 2.89 3.76 -1.24 -5.08 115.29 112.82 1qbl s HIS 189 Ca 0.47 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 1qbl s HIS 189 Cb 0.42 -0.21 0.00 0.00 1.11 0.00 0.00 32.58 33.89 1qbl s HIS 189 CO 0.03 -0.49 0.00 -1.71 -0.85 0.00 0.00 174.74 171.73 1qbl n ASN 190 N -0.00 0.40 -4.72 1.40 5.15 -1.26 -4.73 115.26 111.49 1qbl n ASN 190 Ca -0.14 0.09 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 1qbl n ASN 190 Cb 0.62 -0.10 -0.05 0.00 -0.53 0.00 0.00 39.78 39.73 1qbl n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1qbl s SER 191 N -5.36 6.97 -0.07 1.20 0.15 -1.26 -0.74 113.70 114.59 1qbl s SER 191 Ca 0.00 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.81 1qbl s SER 191 Cb 0.00 -2.40 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1qbl s SER 191 CO 0.00 -0.10 -0.01 -0.31 1.20 0.00 0.00 173.24 174.02 1qbl s TYR 192 N 0.74 0.74 0.07 3.44 2.02 -0.86 -0.83 117.35 122.66 1qbl s TYR 192 Ca 0.37 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 1qbl s TYR 192 Cb -0.18 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 1qbl s TYR 192 CO 0.18 -0.32 -0.05 -0.08 -1.57 0.00 0.00 175.55 173.71 1qbl s THR 193 N 1.76 0.43 -0.06 -0.71 -1.32 -0.56 -2.07 115.64 113.11 1qbl s THR 193 Ca 0.02 -1.72 0.01 0.00 -1.21 0.00 0.00 61.69 58.79 1qbl s THR 193 Cb -0.13 -1.40 0.02 0.00 -1.51 0.00 0.00 72.50 69.49 1qbl s THR 193 CO -0.05 -0.85 -0.05 0.00 -2.21 0.00 0.00 174.62 171.46 1qbl s GLU 195 N 1.11 3.54 -0.11 0.00 2.02 0.36 -2.67 118.70 122.94 1qbl s GLU 195 Ca -0.08 -0.54 -0.19 0.00 0.02 0.00 0.00 54.97 54.18 1qbl s GLU 195 Cb -0.14 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1qbl s GLU 195 CO -0.01 -0.16 0.49 0.00 0.02 0.00 0.00 175.26 175.60 1qbl s ALA 196 N 1.47 3.46 -0.25 5.21 0.00 -0.11 -1.77 121.76 129.77 1qbl s ALA 196 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1qbl s ALA 196 Cb -0.15 -2.67 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1qbl s ALA 196 CO 0.01 -0.01 -0.00 0.99 0.00 0.00 0.00 175.76 176.74 1qbl s THR 197 N 0.64 3.45 0.04 0.00 2.01 0.42 -0.49 115.64 121.70 1qbl s THR 197 Ca 0.27 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1qbl s THR 197 Cb -0.15 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1qbl s THR 197 CO 0.11 0.24 0.09 -2.28 -0.69 0.00 0.00 174.62 172.09 1qbl s HIS 198 N 1.44 0.21 0.39 4.92 5.04 -1.26 -2.04 115.29 123.99 1qbl s HIS 198 Ca 0.03 -0.51 0.34 0.00 -1.54 0.00 0.00 55.06 53.37 1qbl s HIS 198 Cb -0.16 -0.15 1.83 0.00 0.04 0.00 0.00 32.58 34.15 1qbl s HIS 198 CO -0.02 -0.36 2.02 -0.22 -2.34 0.00 0.00 174.74 173.83 1qbl h LYS 199 N 3.68 0.00 -0.00 2.88 3.64 -1.94 -2.57 116.57 122.26 1qbl h LYS 199 Ca -0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1qbl h LYS 199 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1qbl h LYS 199 CO 0.50 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.93 1qbl n THR 200 N -2.75 0.00 -3.48 1.00 -2.24 -1.26 -4.84 114.28 100.71 1qbl n THR 200 Ca -0.02 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1qbl n THR 200 Cb 0.13 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1qbl n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qbl s SER 201 N -1.49 -0.52 0.09 3.42 1.04 -0.97 -5.01 113.70 110.26 1qbl s SER 201 Ca 0.24 0.07 0.22 0.00 0.48 0.00 0.00 55.95 56.96 1qbl s SER 201 Cb 0.11 0.56 -0.16 0.00 0.10 0.00 0.00 66.02 66.63 1qbl s SER 201 CO 0.18 -0.88 0.77 1.07 0.98 0.00 0.00 173.24 175.37 1qbl n THR 202 N -0.09 0.35 -4.02 2.02 5.66 -1.26 -4.67 114.28 112.27 1qbl n THR 202 Ca -0.17 -0.53 -0.32 0.00 -3.05 0.00 0.00 64.05 59.98 1qbl n THR 202 Cb 0.63 -0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 1qbl n THR 202 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1qbl s SER 203 N -4.98 5.90 0.34 1.09 1.04 -1.26 -5.09 113.70 110.74 1qbl s SER 203 Ca -0.04 0.17 -0.27 0.00 0.48 0.00 0.00 55.95 56.29 1qbl s SER 203 Cb 0.12 -1.73 -0.09 0.00 0.10 0.00 0.00 66.02 64.42 1qbl s SER 203 CO 0.85 0.23 1.10 -2.84 0.98 0.00 0.00 173.24 173.56 1qbl s PRO 204 N -2.09 4.39 -0.46 4.02 0.02 -1.26 -4.84 135.00 134.78 1qbl s PRO 204 Ca 0.28 1.74 -0.28 0.00 0.02 0.00 0.00 61.00 62.75 1qbl s PRO 204 Cb -0.12 -2.91 0.01 0.00 0.02 0.00 0.00 34.50 31.50 1qbl s PRO 204 CO 0.20 0.00 1.42 0.42 -0.33 0.00 0.00 177.00 178.71 1qbl s ILE 205 N -1.35 3.86 -0.04 2.83 1.09 0.36 -4.82 121.20 123.13 1qbl s ILE 205 Ca 0.51 0.84 0.04 0.00 -1.10 0.00 0.00 60.65 60.94 1qbl s ILE 205 Cb -0.29 -4.27 -0.03 0.00 -1.06 0.00 0.00 42.46 36.81 1qbl s ILE 205 CO 0.37 -0.88 -0.15 0.68 -0.10 0.00 0.00 174.94 174.86 1qbl s VAL 206 N 5.67 2.97 0.04 2.92 -7.23 -1.26 -0.93 120.40 122.59 1qbl s VAL 206 Ca 0.59 -0.77 0.06 0.00 -1.81 0.00 0.00 61.98 60.05 1qbl s VAL 206 Cb -0.13 -2.16 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1qbl s VAL 206 CO 0.30 0.58 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.97 1qbl s LYS 207 N -0.74 1.07 -0.06 4.82 -0.14 -1.09 -5.03 119.74 118.57 1qbl s LYS 207 Ca 0.11 -0.83 -0.30 0.00 -1.36 0.00 0.00 55.97 53.60 1qbl s LYS 207 Cb -0.11 -1.12 0.11 0.00 -1.68 0.00 0.00 37.83 35.03 1qbl s LYS 207 CO 0.01 0.28 0.93 -1.54 -0.76 0.00 0.00 175.35 174.27 1qbl s SER 208 N -1.18 -0.36 0.08 2.83 1.04 -1.26 -1.93 113.70 112.91 1qbl s SER 208 Ca 0.03 0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.64 1qbl s SER 208 Cb -0.08 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1qbl s SER 208 CO 0.01 -0.51 -0.08 0.72 0.98 0.00 0.00 173.24 174.36 1qbl s PHE 209 N -2.39 0.87 -0.17 5.02 -0.71 -0.88 -5.01 117.98 114.70 1qbl s PHE 209 Ca 0.03 -0.67 -0.03 0.00 -1.04 0.00 0.00 56.93 55.22 1qbl s PHE 209 Cb -0.01 -0.50 -0.02 0.00 -1.21 0.00 0.00 43.02 41.29 1qbl s PHE 209 CO -0.05 -0.08 -0.05 -0.80 -1.34 0.00 0.00 175.22 172.90 1qbl s ASN 210 N -2.27 4.49 0.14 1.98 0.02 -1.26 -2.03 114.94 116.01 1qbl s ASN 210 Ca 0.01 -0.26 -0.21 0.00 -1.02 0.00 0.00 52.86 51.38 1qbl s ASN 210 Cb -0.03 -1.74 0.01 0.00 0.02 0.00 0.00 41.25 39.51 1qbl s ASN 210 CO -0.01 0.10 1.66 -0.09 0.02 0.00 0.00 177.10 178.78 1qbl h ARG 211 N 7.21 -0.17 -0.01 -0.60 2.43 -1.22 -3.01 114.38 119.00 1qbl h ARG 211 Ca -0.33 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1qbl h ARG 211 Cb 1.19 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1qbl h ARG 211 CO 0.60 -0.12 -0.11 0.09 -1.51 0.00 0.00 179.97 178.93 1qbl n ASN 212 N -5.32 1.25 -3.57 -3.80 3.02 -1.26 -4.45 115.26 101.13 1qbl n ASN 212 Ca -0.02 -1.21 -0.41 0.00 -0.03 0.00 0.00 54.58 52.92 1qbl n ASN 212 Cb 0.24 0.05 0.01 0.00 -0.61 0.00 0.00 39.78 39.47 1qbl n ASN 212 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qbl n GLU 213 N -0.21 5.07 0.00 3.52 4.71 -1.14 -5.25 120.64 127.33 1qbl n GLU 213 Ca 0.16 -4.12 0.00 0.00 -0.01 0.00 0.00 57.16 53.19 1qbl n GLU 213 Cb 0.35 -2.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.23 1qbl n GLU 213 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22