#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbl s VAL 2 N 0.00 4.18 -0.22 3.84 1.01 -1.26 -3.69 120.40 124.26 1qbl s VAL 2 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 1qbl s VAL 2 Cb 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.68 1qbl s VAL 2 CO 0.00 0.58 0.59 -1.58 0.00 0.00 0.00 175.10 174.69 1qbl s GLN 3 N -0.95 0.68 -0.30 2.72 2.00 -0.93 -5.01 119.66 117.87 1qbl s GLN 3 Ca 0.14 0.86 -0.03 0.00 -2.00 0.00 0.00 55.36 54.32 1qbl s GLN 3 Cb -0.11 0.30 0.04 0.00 0.80 0.00 0.00 33.01 34.04 1qbl s GLN 3 CO 0.03 -0.09 0.02 -0.51 -0.50 0.00 0.00 175.29 174.24 1qbl s LEU 4 N 0.47 3.87 -0.33 3.68 1.02 -1.26 -2.47 118.68 123.66 1qbl s LEU 4 Ca -0.01 -1.13 -0.16 0.00 0.02 0.00 0.00 54.13 52.85 1qbl s LEU 4 Cb -0.04 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.40 1qbl s LEU 4 CO -0.01 -0.25 0.39 -1.58 0.02 0.00 0.00 176.35 174.92 1qbl s GLN 5 N 1.32 3.68 0.09 1.70 2.00 -0.17 -4.00 119.66 124.27 1qbl s GLN 5 Ca -0.03 -0.26 0.06 0.00 -2.00 0.00 0.00 55.36 53.12 1qbl s GLN 5 Cb -0.19 -3.77 -0.04 0.00 0.80 0.00 0.00 33.01 29.81 1qbl s GLN 5 CO -0.00 -0.49 -0.06 -0.65 -0.50 0.00 0.00 175.29 173.59 1qbl s GLN 6 N 2.10 2.33 0.92 1.67 -0.21 -1.26 -0.70 119.66 124.50 1qbl s GLN 6 Ca 0.14 -0.92 -0.14 0.00 0.02 0.00 0.00 55.36 54.46 1qbl s GLN 6 Cb -0.16 -2.41 -0.00 0.00 1.00 0.00 0.00 33.01 31.43 1qbl s GLN 6 CO 0.12 0.53 0.25 0.43 -2.12 0.00 0.00 175.29 174.50 1qbl n SER 7 N 0.78 -2.50 -3.04 5.90 7.64 -1.24 -4.88 113.62 116.27 1qbl n SER 7 Ca -0.13 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1qbl n SER 7 Cb 0.52 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1qbl n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbl n GLY 8 N 1.80 -0.83 3.69 0.23 0.00 -1.26 -4.30 105.19 104.52 1qbl n GLY 8 Ca 0.06 -1.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1qbl n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbl n ALA 9 N -3.00 0.99 -3.30 4.61 0.00 -1.26 -4.40 120.51 114.15 1qbl n ALA 9 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.26 1qbl n ALA 9 Cb 0.00 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.03 1qbl n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qbl s GLU 10 N -2.89 1.80 -0.18 0.00 2.02 -0.88 -4.95 118.70 113.61 1qbl s GLU 10 Ca 0.75 -0.49 -0.05 0.00 0.02 0.00 0.00 54.97 55.20 1qbl s GLU 10 Cb -0.42 -1.48 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 1qbl s GLU 10 CO 0.47 0.09 -0.00 -1.17 0.02 0.00 0.00 175.26 174.67 1qbl s LEU 11 N 0.48 3.34 0.06 1.80 0.20 -1.26 -2.17 118.68 121.13 1qbl s LEU 11 Ca -0.12 -0.14 -0.02 0.00 0.69 0.00 0.00 54.13 54.54 1qbl s LEU 11 Cb -0.15 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 1qbl s LEU 11 CO 0.04 0.12 0.01 -0.69 -0.29 0.00 0.00 176.35 175.53 1qbl s VAL 12 N 0.69 0.20 0.25 1.68 1.01 -0.87 -5.02 120.40 118.35 1qbl s VAL 12 Ca -0.00 -1.72 0.09 0.00 0.00 0.00 0.00 61.98 60.34 1qbl s VAL 12 Cb -0.14 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1qbl s VAL 12 CO 0.02 -0.91 0.03 -1.59 0.00 0.00 0.00 175.10 172.65 1qbl s LYS 13 N -3.92 2.42 0.23 2.72 -2.85 -1.26 -0.60 119.74 116.48 1qbl s LYS 13 Ca 0.08 -1.30 -0.30 0.00 -1.00 0.00 0.00 55.97 53.45 1qbl s LYS 13 Cb 0.07 -2.26 -0.15 0.00 -2.06 0.00 0.00 37.83 33.43 1qbl s LYS 13 CO -0.09 0.39 0.91 -2.30 0.10 0.00 0.00 175.35 174.35 1qbl n PRO 14 N -0.80 0.88 0.00 1.78 -0.02 -1.26 -1.91 135.00 133.66 1qbl n PRO 14 Ca -0.07 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1qbl n PRO 14 Cb 0.58 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1qbl n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qbl n GLY 15 N 1.63 2.68 2.81 -1.23 0.00 0.21 -4.89 105.19 106.40 1qbl n GLY 15 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1qbl n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbl n ALA 16 N -0.03 -3.99 -2.70 4.61 0.00 -0.80 -3.83 120.51 113.77 1qbl n ALA 16 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 53.44 51.92 1qbl n ALA 16 Cb 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.21 1qbl n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qbl s SER 17 N -3.30 1.47 0.01 0.00 0.01 -1.26 -1.83 113.70 108.81 1qbl s SER 17 Ca 0.58 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.37 1qbl s SER 17 Cb -0.09 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1qbl s SER 17 CO 0.48 -0.03 -0.04 0.54 0.41 0.00 0.00 173.24 174.59 1qbl s VAL 18 N -0.98 0.32 -0.26 3.43 0.11 -0.87 -5.03 120.40 117.12 1qbl s VAL 18 Ca -0.01 -0.48 0.02 0.00 -2.93 0.00 0.00 61.98 58.58 1qbl s VAL 18 Cb -0.08 -0.33 0.07 0.00 -1.53 0.00 0.00 36.38 34.50 1qbl s VAL 18 CO 0.01 -0.11 -0.05 -0.75 -3.33 0.00 0.00 175.10 170.88 1qbl s LYS 19 N -0.63 1.70 0.20 1.54 2.20 -1.26 -1.51 119.74 121.98 1qbl s LYS 19 Ca -0.04 -1.19 -0.18 0.00 -0.36 0.00 0.00 55.97 54.20 1qbl s LYS 19 Cb -0.05 -2.70 -0.08 0.00 -1.51 0.00 0.00 37.83 33.49 1qbl s LYS 19 CO -0.00 -0.66 0.67 -0.51 -0.36 0.00 0.00 175.35 174.49 1qbl s LEU 20 N 1.28 4.34 0.16 5.43 1.43 -0.20 -4.91 118.68 126.20 1qbl s LEU 20 Ca -0.04 1.31 0.07 0.00 -1.03 0.00 0.00 54.13 54.44 1qbl s LEU 20 Cb -0.19 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1qbl s LEU 20 CO -0.07 0.05 -0.01 -0.94 0.23 0.00 0.00 176.35 175.61 1qbl s SER 21 N -1.68 4.75 -0.22 2.29 1.04 -1.26 -2.00 113.70 116.61 1qbl s SER 21 Ca 0.42 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 1qbl s SER 21 Cb -0.16 -1.01 0.08 0.00 0.10 0.00 0.00 66.02 65.03 1qbl s SER 21 CO 0.20 0.11 0.13 0.00 0.98 0.00 0.00 173.24 174.66 1qbl s THR 23 N 2.16 5.10 0.01 0.00 2.01 0.12 -1.46 115.64 123.58 1qbl s THR 23 Ca 0.05 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1qbl s THR 23 Cb -0.16 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1qbl s THR 23 CO -0.21 0.42 -0.03 0.00 -0.69 0.00 0.00 174.62 174.11 1qbl s ALA 24 N 0.56 3.15 0.00 7.40 0.00 -0.14 -1.00 121.76 131.74 1qbl s ALA 24 Ca 0.06 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.95 1qbl s ALA 24 Cb -0.12 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.78 1qbl s ALA 24 CO 0.00 0.64 0.10 -1.54 0.00 0.00 0.00 175.76 174.96 1qbl s SER 25 N -1.58 0.06 0.00 0.00 1.04 -1.03 -4.81 113.70 107.37 1qbl s SER 25 Ca 0.19 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1qbl s SER 25 Cb -0.11 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1qbl s SER 25 CO 0.10 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1qbl n GLY 26 N 1.56 0.63 3.59 7.32 0.00 -1.24 -2.19 105.19 114.86 1qbl n GLY 26 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1qbl n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qbl s PHE 27 N -2.51 -0.15 -0.23 1.61 -0.71 -1.26 -4.72 117.98 110.01 1qbl s PHE 27 Ca 0.00 0.07 -0.12 0.00 -1.04 0.00 0.00 56.93 55.84 1qbl s PHE 27 Cb 0.00 0.52 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1qbl s PHE 27 CO 0.00 -0.27 0.23 1.21 -1.34 0.00 0.00 175.22 175.06 1qbl s ASN 28 N -2.32 6.21 0.26 1.98 3.84 -1.26 -4.97 114.94 118.68 1qbl s ASN 28 Ca 0.09 0.22 0.18 0.00 0.21 0.00 0.00 52.86 53.56 1qbl s ASN 28 Cb -0.00 -2.14 0.96 0.00 -0.55 0.00 0.00 41.25 39.51 1qbl s ASN 28 CO -0.05 0.01 1.54 2.30 -2.79 0.00 0.00 177.10 178.11 1qbl n ILE 29 N 4.36 1.21 0.26 -5.21 -5.35 -1.26 -1.37 119.36 111.99 1qbl n ILE 29 Ca -0.13 0.70 0.15 0.00 -0.27 0.00 0.00 62.75 63.20 1qbl n ILE 29 Cb 0.52 -1.70 0.56 0.00 -1.74 0.00 0.00 39.64 37.28 1qbl n ILE 29 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1qbl h LYS 30 N 0.00 0.00 -0.11 6.28 1.57 -1.94 -3.07 116.57 119.31 1qbl h LYS 30 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qbl h LYS 30 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1qbl h LYS 30 CO 0.00 0.05 0.00 -0.25 -0.57 0.00 0.00 179.45 178.68 1qbl n ASP 31 N -3.16 0.85 -1.89 0.86 8.00 -0.48 -4.42 116.55 116.32 1qbl n ASP 31 Ca 0.01 -1.69 -0.05 0.00 0.71 0.00 0.00 54.79 53.77 1qbl n ASP 31 Cb 0.37 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1qbl n ASP 31 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1qbl n THR 32 N -0.17 0.00 -4.23 -3.53 5.66 -1.16 -4.98 114.28 105.87 1qbl n THR 32 Ca 0.12 -0.56 -0.35 0.00 -3.05 0.00 0.00 64.05 60.21 1qbl n THR 32 Cb 0.18 0.49 -0.09 0.00 -1.55 0.00 0.00 70.33 69.37 1qbl n THR 32 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1qbl s TYR 33 N -5.33 3.26 -0.33 1.09 2.02 -1.18 -4.36 117.35 112.52 1qbl s TYR 33 Ca 0.09 0.24 -0.12 0.00 -0.37 0.00 0.00 57.07 56.90 1qbl s TYR 33 Cb -0.02 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 1qbl s TYR 33 CO 0.07 0.47 0.23 -1.64 -1.57 0.00 0.00 175.55 173.11 1qbl s MET 34 N -0.73 3.51 0.25 -0.62 -1.94 -0.26 -1.52 119.30 117.99 1qbl s MET 34 Ca 0.12 -0.63 0.06 0.00 -1.71 0.00 0.00 55.69 53.53 1qbl s MET 34 Cb -0.12 -3.76 -0.03 0.00 2.01 0.00 0.00 34.83 32.93 1qbl s MET 34 CO 0.02 -0.42 0.27 -1.01 -0.01 0.00 0.00 175.02 173.87 1qbl s HIS 35 N 1.71 3.23 -0.07 -0.03 3.76 0.61 -1.32 115.29 123.18 1qbl s HIS 35 Ca 0.06 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1qbl s HIS 35 Cb -0.17 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.04 1qbl s HIS 35 CO 0.10 0.47 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.79 1qbl s TRP 36 N -2.08 1.24 -0.05 1.40 0.52 -0.84 -1.27 118.94 117.85 1qbl s TRP 36 Ca 0.34 -0.49 0.02 0.00 0.02 0.00 0.00 56.10 56.00 1qbl s TRP 36 Cb -0.08 -1.00 0.01 0.00 -1.15 0.00 0.00 33.47 31.25 1qbl s TRP 36 CO 0.27 -0.32 -0.11 0.08 0.02 0.00 0.00 176.95 176.88 1qbl s VAL 37 N 1.10 0.99 0.06 4.03 1.01 0.20 -1.03 120.40 126.76 1qbl s VAL 37 Ca -0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1qbl s VAL 37 Cb -0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1qbl s VAL 37 CO -0.01 0.31 0.21 -0.75 0.00 0.00 0.00 175.10 174.86 1qbl s LYS 38 N 0.48 3.44 -0.26 2.72 2.20 -0.17 -0.40 119.74 127.75 1qbl s LYS 38 Ca -0.10 -0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1qbl s LYS 38 Cb -0.13 -3.04 0.14 0.00 -1.51 0.00 0.00 37.83 33.30 1qbl s LYS 38 CO 0.02 0.61 0.40 -1.14 -0.36 0.00 0.00 175.35 174.88 1qbl s GLN 39 N -2.52 0.38 0.77 4.03 0.74 -0.47 -0.75 119.66 121.85 1qbl s GLN 39 Ca 0.35 0.49 -0.11 0.00 0.05 0.00 0.00 55.36 56.14 1qbl s GLN 39 Cb -0.13 -0.36 0.06 0.00 1.10 0.00 0.00 33.01 33.67 1qbl s GLN 39 CO 0.28 -0.72 1.08 1.03 -0.55 0.00 0.00 175.29 176.41 1qbl s ARG 40 N 2.57 2.28 -0.16 1.67 0.52 -1.26 -0.50 118.95 124.07 1qbl s ARG 40 Ca 0.13 0.90 -0.35 0.00 -0.52 0.00 0.00 55.73 55.88 1qbl s ARG 40 Cb -0.15 -1.92 -0.12 0.00 0.52 0.00 0.00 34.95 33.28 1qbl s ARG 40 CO -0.19 -1.55 1.91 -2.30 0.02 0.00 0.00 175.30 173.19 1qbl n PRO 41 N -3.42 1.87 -3.67 3.54 -0.02 -1.26 -2.00 135.00 130.03 1qbl n PRO 41 Ca 0.08 0.67 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 1qbl n PRO 41 Cb 0.54 -2.55 0.05 0.00 -0.02 0.00 0.00 33.50 31.52 1qbl n PRO 41 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1qbl n GLU 42 N 6.69 -6.28 -4.34 -0.52 2.13 -1.26 -5.00 120.64 112.06 1qbl n GLU 42 Ca 0.26 0.71 -0.25 0.00 0.66 0.00 0.00 57.16 58.54 1qbl n GLU 42 Cb 0.26 -5.66 -0.07 0.00 0.27 0.00 0.00 31.44 26.25 1qbl n GLU 42 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1qbl n LYS 43 N -4.69 0.60 -2.18 5.31 5.02 -0.85 -5.17 118.16 116.21 1qbl n LYS 43 Ca 0.01 -3.35 -0.26 0.00 -2.02 0.00 0.00 58.31 52.69 1qbl n LYS 43 Cb 0.55 1.77 0.09 0.00 -0.02 0.00 0.00 35.03 37.41 1qbl n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1qbl s GLY 44 N -3.44 1.70 0.26 0.72 0.00 -1.26 -4.64 107.32 100.66 1qbl s GLY 44 Ca 0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.61 1qbl s GLY 44 CO 0.13 -0.54 1.08 1.08 0.00 0.00 0.00 173.10 174.86 1qbl s LEU 45 N -5.33 4.56 -0.10 0.66 1.43 -1.26 -4.35 118.68 114.28 1qbl s LEU 45 Ca 0.62 2.20 -0.01 0.00 -1.03 0.00 0.00 54.13 55.92 1qbl s LEU 45 Cb -0.10 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.53 1qbl s LEU 45 CO 0.46 -0.11 -0.05 -1.61 0.23 0.00 0.00 176.35 175.27 1qbl s GLU 46 N -1.26 1.18 -0.07 1.70 2.02 0.07 -4.98 118.70 117.37 1qbl s GLU 46 Ca 0.45 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1qbl s GLU 46 Cb -0.31 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 32.54 1qbl s GLU 46 CO 0.39 -0.27 1.25 -0.46 0.02 0.00 0.00 175.26 176.18 1qbl s TRP 47 N 1.78 3.06 -0.19 1.61 -0.00 -1.26 -1.00 118.94 122.93 1qbl s TRP 47 Ca 0.05 1.10 -0.22 0.00 -0.00 0.00 0.00 56.10 57.03 1qbl s TRP 47 Cb -0.12 -3.48 -0.21 0.00 -0.00 0.00 0.00 33.47 29.66 1qbl s TRP 47 CO -0.07 -1.59 0.30 0.82 -0.00 0.00 0.00 176.95 176.41 1qbl h ILE 48 N 5.09 1.03 0.00 5.86 2.04 -1.46 -3.41 117.51 126.66 1qbl h ILE 48 Ca -0.33 -2.21 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1qbl h ILE 48 Cb 1.15 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1qbl h ILE 48 CO 0.90 0.38 0.00 0.61 0.00 0.00 0.00 178.15 180.04 1qbl n GLY 49 N 1.48 -1.45 3.64 5.37 0.00 -1.22 -1.26 105.19 111.74 1qbl n GLY 49 Ca -0.29 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 1qbl n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qbl s ARG 50 N -1.19 1.60 0.02 1.61 1.04 -0.56 -1.99 118.95 119.47 1qbl s ARG 50 Ca 0.00 -1.20 0.03 0.00 -1.04 0.00 0.00 55.73 53.51 1qbl s ARG 50 Cb 0.00 0.50 -0.01 0.00 -2.04 0.00 0.00 34.95 33.39 1qbl s ARG 50 CO 0.00 -0.68 -0.08 -1.50 -0.04 0.00 0.00 175.30 173.00 1qbl s ILE 51 N -4.00 0.61 -0.73 4.99 2.07 -0.43 -1.85 121.20 121.86 1qbl s ILE 51 Ca 0.20 -0.63 -0.13 0.00 -1.41 0.00 0.00 60.65 58.68 1qbl s ILE 51 Cb -0.02 -0.58 0.19 0.00 0.13 0.00 0.00 42.46 42.19 1qbl s ILE 51 CO 0.09 -0.04 0.66 -0.62 -1.91 0.00 0.00 174.94 173.12 1qbl s ASP 52 N -0.74 6.41 0.23 4.50 2.15 0.34 -1.10 116.67 128.45 1qbl s ASP 52 Ca -0.01 -2.52 -0.16 0.00 0.43 0.00 0.00 52.55 50.29 1qbl s ASP 52 Cb -0.06 -2.15 0.25 0.00 -0.30 0.00 0.00 42.92 40.66 1qbl s ASP 52 CO 0.00 -0.60 1.50 -2.65 -0.17 0.00 0.00 175.17 173.25 1qbl n PRO 53 N 4.18 -0.21 -0.20 4.34 -0.02 -1.26 0.96 135.00 142.78 1qbl n PRO 53 Ca 0.07 1.49 -0.05 0.00 -2.02 0.00 0.00 63.50 62.98 1qbl n PRO 53 Cb 0.44 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1qbl n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbl h ALA 54 N 1.39 -0.06 0.00 3.55 0.00 -1.83 -2.61 119.26 119.70 1qbl h ALA 54 Ca 0.35 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1qbl h ALA 54 Cb 0.59 0.79 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1qbl h ALA 54 CO -0.96 -0.68 -1.46 -1.13 0.00 0.00 0.00 179.25 175.02 1qbl n SER 55 N -5.43 0.57 0.00 0.00 3.41 -0.84 -4.97 113.62 106.36 1qbl n SER 55 Ca 0.04 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1qbl n SER 55 Cb 0.35 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1qbl n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qbl n GLY 56 N 1.29 1.60 3.64 5.00 0.00 0.27 -5.02 105.19 111.97 1qbl n GLY 56 Ca -0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 1qbl n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qbl n ASN 57 N 0.00 2.32 -4.24 1.61 4.05 -1.22 -4.64 115.26 113.13 1qbl n ASN 57 Ca 0.00 1.13 -0.20 0.00 0.45 0.00 0.00 54.58 55.96 1qbl n ASN 57 Cb 0.00 -1.35 -0.12 0.00 1.23 0.00 0.00 39.78 39.54 1qbl n ASN 57 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1qbl s THR 58 N 0.09 1.43 0.03 -0.44 -4.23 -1.26 -0.50 115.64 110.75 1qbl s THR 58 Ca 0.72 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.73 1qbl s THR 58 Cb -0.74 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 1qbl s THR 58 CO 0.48 -0.21 -0.08 -0.54 -0.54 0.00 0.00 174.62 173.73 1qbl s LYS 59 N -2.08 0.54 0.08 3.99 -0.14 -0.77 -4.98 119.74 116.37 1qbl s LYS 59 Ca 0.05 -0.57 -0.00 0.00 -1.36 0.00 0.00 55.97 54.09 1qbl s LYS 59 Cb -0.09 -0.40 -0.04 0.00 -1.68 0.00 0.00 37.83 35.62 1qbl s LYS 59 CO 0.03 0.09 -0.02 0.71 -0.76 0.00 0.00 175.35 175.40 1qbl s TYR 60 N -0.90 0.69 -0.19 3.18 2.02 -1.26 -1.50 117.35 119.39 1qbl s TYR 60 Ca -0.05 -1.06 -0.23 0.00 -0.37 0.00 0.00 57.07 55.36 1qbl s TYR 60 Cb -0.07 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1qbl s TYR 60 CO 0.00 -0.34 0.75 0.34 -1.57 0.00 0.00 175.55 174.73 1qbl s ASP 61 N -2.98 6.83 0.65 2.29 -1.08 -0.39 -4.93 116.67 117.05 1qbl s ASP 61 Ca 0.12 1.01 0.12 0.00 -0.52 0.00 0.00 52.55 53.28 1qbl s ASP 61 Cb 0.07 -2.41 0.58 0.00 -1.46 0.00 0.00 42.92 39.71 1qbl s ASP 61 CO -0.06 -0.37 1.31 -0.65 0.52 0.00 0.00 175.17 175.92 1qbl h PRO 62 N 7.45 0.00 -0.31 4.34 0.11 -1.96 0.22 132.00 141.85 1qbl h PRO 62 Ca -0.29 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 1qbl h PRO 62 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1qbl h PRO 62 CO 0.82 0.00 -0.27 -0.22 -0.21 0.00 0.00 178.00 178.12 1qbl h LYS 63 N 0.00 0.62 -0.38 1.05 3.64 -1.95 -3.10 116.57 116.45 1qbl h LYS 63 Ca 0.06 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1qbl h LYS 63 Cb 1.73 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1qbl h LYS 63 CO -0.00 0.83 0.00 1.19 -2.27 0.00 0.00 179.45 179.20 1qbl n PHE 64 N -4.10 0.49 -0.34 1.91 3.72 0.73 -4.62 117.46 115.25 1qbl n PHE 64 Ca -0.00 -0.28 0.06 0.00 -0.05 0.00 0.00 57.45 57.17 1qbl n PHE 64 Cb 0.44 -0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.19 1qbl n PHE 64 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1qbl h GLN 65 N 3.95 0.92 0.00 -1.08 3.07 -1.41 0.16 115.11 120.72 1qbl h GLN 65 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1qbl h GLN 65 Cb 0.91 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 28.26 1qbl h GLN 65 CO 0.00 0.61 -0.74 -0.25 0.09 0.00 0.00 178.83 178.54 1qbl n ASP 66 N -4.65 0.62 -0.10 0.06 8.00 -1.26 -4.28 116.55 114.93 1qbl n ASP 66 Ca 0.17 -0.29 -0.11 0.00 0.71 0.00 0.00 54.79 55.27 1qbl n ASP 66 Cb 0.32 0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 41.77 1qbl n ASP 66 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1qbl n LYS 67 N -1.71 0.68 -4.88 -1.24 3.00 -0.76 -4.82 118.16 108.42 1qbl n LYS 67 Ca 0.04 0.02 -0.32 0.00 -0.00 0.00 0.00 58.31 58.05 1qbl n LYS 67 Cb 0.38 -1.52 -0.13 0.00 0.00 0.00 0.00 35.03 33.75 1qbl n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qbl s ALA 68 N -2.49 2.55 -0.25 3.14 0.00 0.49 -1.95 121.76 123.24 1qbl s ALA 68 Ca -0.14 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1qbl s ALA 68 Cb 0.06 -0.80 0.08 0.00 0.00 0.00 0.00 23.12 22.46 1qbl s ALA 68 CO 0.79 0.56 0.08 0.99 0.00 0.00 0.00 175.76 178.18 1qbl s THR 69 N -0.79 0.52 -0.08 0.00 2.01 -0.31 -4.77 115.64 112.22 1qbl s THR 69 Ca 0.12 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 1qbl s THR 69 Cb -0.10 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1qbl s THR 69 CO 0.02 -0.48 0.34 -0.63 -0.69 0.00 0.00 174.62 173.18 1qbl s ILE 70 N 1.83 5.20 0.30 1.82 1.01 -1.26 -0.77 121.20 129.34 1qbl s ILE 70 Ca 0.05 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.39 1qbl s ILE 70 Cb -0.17 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1qbl s ILE 70 CO -0.20 0.51 0.17 0.42 0.00 0.00 0.00 174.94 175.84 1qbl s THR 71 N -0.49 0.29 -0.03 2.92 -4.23 -0.92 -4.96 115.64 108.23 1qbl s THR 71 Ca 0.20 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.55 1qbl s THR 71 Cb -0.15 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1qbl s THR 71 CO 0.09 0.00 0.35 0.00 -0.54 0.00 0.00 174.62 174.52 1qbl s ALA 72 N -3.61 -0.90 -0.38 3.99 0.00 -1.26 -1.04 121.76 118.57 1qbl s ALA 72 Ca 0.36 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1qbl s ALA 72 Cb 0.05 0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.30 1qbl s ALA 72 CO 0.18 -0.27 0.15 0.34 0.00 0.00 0.00 175.76 176.17 1qbl s ASP 73 N -1.20 4.06 0.35 0.00 -1.08 0.46 -4.99 116.67 114.27 1qbl s ASP 73 Ca -0.12 -2.19 0.04 0.00 -0.52 0.00 0.00 52.55 49.76 1qbl s ASP 73 Cb -0.04 -1.13 0.64 0.00 -1.46 0.00 0.00 42.92 40.92 1qbl s ASP 73 CO 0.05 -0.34 1.92 0.71 0.52 0.00 0.00 175.17 178.03 1qbl h THR 74 N 6.00 1.18 -0.96 1.71 1.35 -1.93 -0.04 112.91 120.22 1qbl h THR 74 Ca -0.07 -0.61 0.23 0.00 -0.55 0.00 0.00 66.41 65.41 1qbl h THR 74 Cb 0.98 0.75 -0.12 0.00 -1.73 0.00 0.00 68.15 68.02 1qbl h THR 74 CO 0.50 0.22 0.53 0.28 -0.25 0.00 0.00 175.52 176.81 1qbl h SER 75 N 0.58 0.58 -0.31 5.36 0.02 -1.95 -1.15 113.55 116.67 1qbl h SER 75 Ca 0.14 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1qbl h SER 75 Cb 0.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1qbl h SER 75 CO -0.01 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.23 1qbl n SER 76 N -4.92 3.02 -3.95 3.07 3.41 -0.83 -4.99 113.62 108.42 1qbl n SER 76 Ca 0.25 -2.16 -0.28 0.00 -0.26 0.00 0.00 58.87 56.42 1qbl n SER 76 Cb 0.69 -0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1qbl n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qbl n ASN 77 N 0.29 -2.18 -4.18 4.04 5.15 -0.10 -4.70 115.26 113.58 1qbl n ASN 77 Ca 0.12 -0.92 -0.21 0.00 -0.60 0.00 0.00 54.58 52.98 1qbl n ASN 77 Cb 0.49 -3.39 -0.13 0.00 -0.53 0.00 0.00 39.78 36.22 1qbl n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qbl s THR 78 N -3.60 1.25 0.11 -0.44 2.01 -0.73 -0.96 115.64 113.27 1qbl s THR 78 Ca 0.32 -1.14 0.10 0.00 0.31 0.00 0.00 61.69 61.27 1qbl s THR 78 Cb -0.17 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 1qbl s THR 78 CO 0.87 -0.02 -0.25 0.00 -0.69 0.00 0.00 174.62 174.54 1qbl s ALA 79 N -0.95 2.14 0.12 7.40 0.00 -0.54 -0.40 121.76 129.52 1qbl s ALA 79 Ca 0.02 -1.34 0.05 0.00 0.00 0.00 0.00 51.96 50.68 1qbl s ALA 79 Cb -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1qbl s ALA 79 CO 0.02 0.47 -0.11 0.71 0.00 0.00 0.00 175.76 176.85 1qbl s TYR 80 N -1.04 1.23 -0.20 0.00 1.51 -0.20 -1.12 117.35 117.52 1qbl s TYR 80 Ca 0.11 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1qbl s TYR 80 Cb -0.10 -0.65 0.05 0.00 -0.11 0.00 0.00 41.96 41.16 1qbl s TYR 80 CO 0.05 0.07 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.33 1qbl s LEU 81 N -2.73 2.16 -0.37 -1.29 2.96 -0.85 -2.15 118.68 116.40 1qbl s LEU 81 Ca 0.11 -0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 52.97 1qbl s LEU 81 Cb -0.01 -1.09 0.03 0.00 0.50 0.00 0.00 46.19 45.62 1qbl s LEU 81 CO 0.01 -0.20 0.19 -1.58 -1.32 0.00 0.00 176.35 173.45 1qbl s GLN 82 N 1.49 2.80 -0.17 1.98 0.74 0.05 -1.03 119.66 125.52 1qbl s GLN 82 Ca -0.03 -1.09 -0.07 0.00 0.05 0.00 0.00 55.36 54.22 1qbl s GLN 82 Cb -0.17 -3.69 -0.04 0.00 1.10 0.00 0.00 33.01 30.21 1qbl s GLN 82 CO -0.07 -0.69 0.08 -0.51 -0.55 0.00 0.00 175.29 173.54 1qbl s LEU 83 N 1.53 3.94 0.31 3.68 1.02 -0.57 -1.17 118.68 127.42 1qbl s LEU 83 Ca 0.01 0.17 0.10 0.00 0.02 0.00 0.00 54.13 54.43 1qbl s LEU 83 Cb -0.19 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 43.98 1qbl s LEU 83 CO 0.06 0.23 -0.10 -0.94 0.02 0.00 0.00 176.35 175.62 1qbl s SER 84 N 0.06 3.92 -1.29 2.29 1.04 -0.82 -2.05 113.70 116.84 1qbl s SER 84 Ca 0.06 -0.99 -0.08 0.00 0.48 0.00 0.00 55.95 55.42 1qbl s SER 84 Cb -0.12 -0.46 -0.00 0.00 0.10 0.00 0.00 66.02 65.54 1qbl s SER 84 CO 0.00 -0.08 0.59 -1.20 0.98 0.00 0.00 173.24 173.53 1qbl n SER 85 N -0.78 -2.21 -4.60 7.02 7.64 -1.02 -4.81 113.62 114.86 1qbl n SER 85 Ca -0.05 -0.99 -0.45 0.00 1.01 0.00 0.00 58.87 58.40 1qbl n SER 85 Cb 0.61 -3.31 -0.02 0.00 -1.01 0.00 0.00 64.21 60.49 1qbl n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qbl n LEU 86 N -4.31 1.89 -4.41 -3.43 4.77 -0.76 -4.54 117.00 106.20 1qbl n LEU 86 Ca -0.23 1.18 -0.20 0.00 -0.03 0.00 0.00 56.01 56.72 1qbl n LEU 86 Cb 0.65 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 1qbl n LEU 86 CO 0.71 -1.32 -0.27 -0.89 -1.33 0.00 0.00 177.39 174.29 1qbl s THR 87 N -0.95 1.03 -0.45 -5.08 2.01 -1.26 -0.62 115.64 110.31 1qbl s THR 87 Ca 0.60 -2.00 0.21 0.00 0.31 0.00 0.00 61.69 60.81 1qbl s THR 87 Cb -0.71 -2.73 0.22 0.00 0.01 0.00 0.00 72.50 69.30 1qbl s THR 87 CO 0.59 -0.02 1.65 -1.54 -0.69 0.00 0.00 174.62 174.61 1qbl n SER 88 N -0.61 0.57 0.26 3.53 3.41 -1.26 -1.38 113.62 118.14 1qbl n SER 88 Ca -0.02 0.68 0.16 0.00 -0.26 0.00 0.00 58.87 59.43 1qbl n SER 88 Cb 0.66 -0.78 0.60 0.00 -0.26 0.00 0.00 64.21 64.43 1qbl n SER 88 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qbl h GLU 89 N 0.00 0.00 0.00 4.33 5.08 -1.95 -3.10 114.58 118.94 1qbl h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qbl h GLU 89 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1qbl h GLU 89 CO 0.00 0.03 -0.25 -0.25 -1.00 0.00 0.00 179.01 177.55 1qbl n ASP 90 N -3.13 0.25 -4.65 1.42 8.00 -0.48 -4.82 116.55 113.13 1qbl n ASP 90 Ca 0.01 0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.22 1qbl n ASP 90 Cb 0.34 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 1qbl n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qbl s THR 91 N -3.00 3.84 -0.05 -3.53 2.01 -1.17 -4.85 115.64 108.89 1qbl s THR 91 Ca 0.13 1.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.94 1qbl s THR 91 Cb 0.18 -3.70 0.06 0.00 0.01 0.00 0.00 72.50 69.06 1qbl s THR 91 CO 0.61 -0.14 0.85 0.00 -0.69 0.00 0.00 174.62 175.25 1qbl n ALA 92 N 7.22 -2.43 -2.70 7.40 0.00 -0.83 -4.62 120.51 124.55 1qbl n ALA 92 Ca 0.16 -0.46 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 1qbl n ALA 92 Cb 0.44 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 1qbl n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qbl s VAL 93 N -2.01 5.28 -0.26 0.00 1.01 0.35 -0.57 120.40 124.19 1qbl s VAL 93 Ca 0.20 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 1qbl s VAL 93 Cb -0.00 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1qbl s VAL 93 CO -0.02 0.48 -0.06 -0.31 0.00 0.00 0.00 175.10 175.20 1qbl s TYR 94 N -0.21 3.12 0.04 5.22 1.51 0.33 -1.36 117.35 126.00 1qbl s TYR 94 Ca 0.18 -1.69 -0.01 0.00 -1.01 0.00 0.00 57.07 54.54 1qbl s TYR 94 Cb -0.14 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1qbl s TYR 94 CO 0.06 -0.76 0.21 0.71 -1.11 0.00 0.00 175.55 174.66 1qbl s TYR 95 N 1.29 3.53 -0.03 2.71 2.02 0.46 -1.19 117.35 126.13 1qbl s TYR 95 Ca -0.02 0.29 0.07 0.00 -0.37 0.00 0.00 57.07 57.05 1qbl s TYR 95 Cb -0.17 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 1qbl s TYR 95 CO -0.04 0.60 -0.25 0.00 -1.57 0.00 0.00 175.55 174.29 1qbl s ALA 97 N -0.48 0.45 -0.31 0.00 0.00 -0.40 -1.00 121.76 120.02 1qbl s ALA 97 Ca 0.06 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 1qbl s ALA 97 Cb -0.11 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.12 1qbl s ALA 97 CO 0.00 -0.05 0.02 0.20 0.00 0.00 0.00 175.76 175.94 1qbl s GLY 98 N -1.47 1.78 -0.15 0.00 0.00 0.10 -0.29 107.32 107.29 1qbl s GLY 98 Ca -0.11 -1.78 -0.34 0.00 0.00 0.00 0.00 44.72 42.49 1qbl s GLY 98 CO 0.00 0.72 1.15 -2.52 0.00 0.00 0.00 173.10 172.45 1qbl s TYR 99 N 1.28 -0.16 0.00 1.90 -0.85 -0.58 -1.85 117.35 117.08 1qbl s TYR 99 Ca -0.04 0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.60 1qbl s TYR 99 Cb -0.20 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.66 1qbl s TYR 99 CO -0.00 -0.27 0.00 -0.40 -1.52 0.00 0.00 175.55 173.36 1qbl n ASP 100 N -0.13 0.00 0.00 -0.18 5.68 -1.26 -3.09 116.55 117.57 1qbl n ASP 100 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1qbl n ASP 100 Cb 0.59 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1qbl n ASP 100 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1qbl n TYR 101 N -0.79 0.00 -1.15 2.11 4.01 -1.26 -5.06 117.16 115.02 1qbl n TYR 101 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qbl n TYR 101 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qbl n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qbl n GLY 102 N 1.57 4.86 0.23 2.72 0.00 -1.26 -5.02 105.19 108.28 1qbl n GLY 102 Ca 0.00 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.40 1qbl n GLY 102 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1qbl h ASN 103 N 0.00 0.00 -2.13 1.61 -1.07 -2.03 -3.42 115.58 108.55 1qbl h ASN 103 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 56.30 55.85 1qbl h ASN 103 Cb 0.00 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.23 1qbl h ASN 103 CO 0.00 0.12 1.38 0.12 0.07 0.00 0.00 177.43 179.13 1qbl s PHE 104 N -3.44 1.59 -0.25 4.14 2.19 -1.26 -4.88 117.98 116.07 1qbl s PHE 104 Ca 0.03 0.86 -0.02 0.00 0.33 0.00 0.00 56.93 58.13 1qbl s PHE 104 Cb 0.08 -4.01 0.13 0.00 -1.31 0.00 0.00 43.02 37.91 1qbl s PHE 104 CO 0.63 -2.61 0.33 0.34 1.83 0.00 0.00 175.22 175.75 1qbl s ASP 105 N 8.19 0.76 0.01 6.13 -1.08 -1.25 -4.08 116.67 125.36 1qbl s ASP 105 Ca 0.77 -0.11 0.05 0.00 -0.52 0.00 0.00 52.55 52.74 1qbl s ASP 105 Cb -0.17 0.84 -0.02 0.00 -1.46 0.00 0.00 42.92 42.11 1qbl s ASP 105 CO 0.26 -0.33 -0.15 -0.31 0.52 0.00 0.00 175.17 175.17 1qbl s TYR 106 N 2.46 1.29 0.04 -5.34 1.51 -0.77 -4.99 117.35 111.54 1qbl s TYR 106 Ca 0.10 -0.29 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1qbl s TYR 106 Cb -0.15 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1qbl s TYR 106 CO -0.19 0.01 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.45 1qbl s TRP 107 N -0.56 1.98 0.78 2.71 0.52 -1.26 0.03 118.94 123.14 1qbl s TRP 107 Ca 0.04 -0.38 -0.11 0.00 0.02 0.00 0.00 56.10 55.67 1qbl s TRP 107 Cb -0.07 -1.19 0.07 0.00 -1.15 0.00 0.00 33.47 31.13 1qbl s TRP 107 CO 0.00 0.08 1.14 0.20 0.02 0.00 0.00 176.95 178.40 1qbl s GLY 108 N -1.10 1.61 0.18 0.98 0.00 -0.17 -4.64 107.32 104.17 1qbl s GLY 108 Ca 0.09 -0.69 0.22 0.00 0.00 0.00 0.00 44.72 44.34 1qbl s GLY 108 CO 0.01 -0.22 1.66 0.61 0.00 0.00 0.00 173.10 175.17 1qbl n GLN 109 N -3.22 0.14 0.00 2.90 0.00 -1.26 -4.72 117.38 111.23 1qbl n GLN 109 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 57.00 57.42 1qbl n GLN 109 Cb 0.61 -1.75 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1qbl n GLN 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qbl n GLY 110 N 0.18 -0.04 3.21 2.61 0.00 -1.26 -4.99 105.19 104.90 1qbl n GLY 110 Ca 0.03 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 1qbl n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qbl s THR 111 N -1.67 3.20 -0.38 2.61 2.01 -0.33 -4.82 115.64 116.25 1qbl s THR 111 Ca 0.00 -1.26 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 1qbl s THR 111 Cb 0.00 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.72 1qbl s THR 111 CO 0.00 -0.09 0.95 0.42 -0.69 0.00 0.00 174.62 175.22 1qbl s THR 112 N 1.30 4.54 -0.27 -0.82 -4.23 -1.26 -0.51 115.64 114.39 1qbl s THR 112 Ca -0.04 1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 61.57 1qbl s THR 112 Cb -0.19 -4.37 -0.05 0.00 1.34 0.00 0.00 72.50 69.23 1qbl s THR 112 CO -0.00 -0.58 0.23 -0.22 -0.54 0.00 0.00 174.62 173.51 1qbl s LEU 113 N 3.58 4.03 -0.19 4.79 2.96 0.26 -2.06 118.68 132.05 1qbl s LEU 113 Ca 0.39 0.08 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 1qbl s LEU 113 Cb -0.11 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1qbl s LEU 113 CO 0.20 -0.07 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.25 1qbl s THR 114 N 1.78 3.88 -0.37 3.68 2.01 -0.92 -1.97 115.64 123.73 1qbl s THR 114 Ca 0.09 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1qbl s THR 114 Cb -0.16 -2.74 0.04 0.00 0.01 0.00 0.00 72.50 69.65 1qbl s THR 114 CO 0.10 0.44 0.18 -0.69 -0.69 0.00 0.00 174.62 173.96 1qbl s VAL 115 N 0.89 4.21 -0.23 3.82 1.01 -1.26 -2.05 120.40 126.80 1qbl s VAL 115 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 60.73 1qbl s VAL 115 Cb -0.14 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.89 1qbl s VAL 115 CO 0.02 -0.26 0.60 -0.55 0.00 0.00 0.00 175.10 174.91 1qbl s SER 116 N 1.58 -0.66 0.48 3.32 0.15 0.23 -4.73 113.70 114.06 1qbl s SER 116 Ca 0.01 1.24 0.26 0.00 0.70 0.00 0.00 55.95 58.16 1qbl s SER 116 Cb -0.20 1.23 1.13 0.00 -1.71 0.00 0.00 66.02 66.47 1qbl s SER 116 CO 0.04 -0.21 1.92 0.28 1.20 0.00 0.00 173.24 176.47 1qbl h SER 117 N 5.52 0.00 -3.14 5.45 0.02 -1.90 -3.36 113.55 116.14 1qbl h SER 117 Ca -0.29 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.11 1qbl h SER 117 Cb 1.18 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.91 1qbl h SER 117 CO 0.14 0.17 -0.57 0.00 -1.14 0.00 0.00 176.83 175.43 1qbl n ALA 118 N -2.22 -2.12 -2.44 3.77 0.00 -1.26 -5.03 120.51 111.20 1qbl n ALA 118 Ca -0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 53.44 52.82 1qbl n ALA 118 Cb 0.36 -1.77 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 1qbl n ALA 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qbl s GLU 119 N -2.87 1.36 -0.94 0.00 2.12 -1.26 -5.04 118.70 112.07 1qbl s GLU 119 Ca 0.61 -1.37 -0.17 0.00 0.36 0.00 0.00 54.97 54.40 1qbl s GLU 119 Cb -0.31 -1.68 -0.27 0.00 0.26 0.00 0.00 34.13 32.12 1qbl s GLU 119 CO 0.62 0.38 2.31 -2.37 -0.54 0.00 0.00 175.26 175.67 1qbl n THR 120 N 0.65 -0.00 -4.06 -1.70 5.66 -1.26 -4.77 114.28 108.80 1qbl n THR 120 Ca -0.16 -0.42 -0.33 0.00 -3.05 0.00 0.00 64.05 60.09 1qbl n THR 120 Cb 0.55 -0.53 -0.07 0.00 -1.55 0.00 0.00 70.33 68.73 1qbl n THR 120 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1qbl s THR 121 N 4.61 4.89 0.43 1.09 2.01 -0.29 -4.93 115.64 123.45 1qbl s THR 121 Ca 1.25 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 62.85 1qbl s THR 121 Cb -0.79 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 1qbl s THR 121 CO 0.47 0.37 0.78 -2.16 -0.69 0.00 0.00 174.62 173.39 1qbl s PRO 122 N -1.69 3.71 0.37 4.92 0.04 -1.26 -2.21 135.00 138.88 1qbl s PRO 122 Ca 0.23 0.39 -0.15 0.00 0.04 0.00 0.00 61.00 61.51 1qbl s PRO 122 Cb -0.12 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 1qbl s PRO 122 CO 0.14 -0.09 0.80 -1.25 0.04 0.00 0.00 177.00 176.63 1qbl s PRO 123 N -4.12 4.00 -0.42 0.56 0.04 -1.26 -4.34 135.00 129.45 1qbl s PRO 123 Ca 0.50 0.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1qbl s PRO 123 Cb -0.10 -2.36 0.05 0.00 0.04 0.00 0.00 34.50 32.13 1qbl s PRO 123 CO 0.36 0.05 0.30 -1.12 0.04 0.00 0.00 177.00 176.63 1qbl s SER 124 N -2.48 5.97 -0.45 6.66 0.01 0.69 -4.92 113.70 119.17 1qbl s SER 124 Ca 0.55 -1.15 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 1qbl s SER 124 Cb -0.10 -2.11 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1qbl s SER 124 CO 0.20 -0.51 0.46 -0.69 0.41 0.00 0.00 173.24 173.11 1qbl s VAL 125 N 1.60 5.09 -0.07 3.43 1.01 -1.26 -0.95 120.40 129.26 1qbl s VAL 125 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1qbl s VAL 125 Cb -0.21 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1qbl s VAL 125 CO 0.07 -0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 174.28 1qbl s TYR 126 N 2.09 3.04 0.20 5.22 2.02 -0.23 -4.95 117.35 124.74 1qbl s TYR 126 Ca 0.10 0.10 -0.28 0.00 -0.37 0.00 0.00 57.07 56.62 1qbl s TYR 126 Cb -0.20 -1.74 -0.08 0.00 -0.40 0.00 0.00 41.96 39.54 1qbl s TYR 126 CO 0.11 0.40 0.86 -1.25 -1.57 0.00 0.00 175.55 174.10 1qbl s PRO 127 N -0.89 4.71 -0.40 -1.71 0.04 -1.26 -0.07 135.00 135.41 1qbl s PRO 127 Ca 0.13 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 1qbl s PRO 127 Cb -0.11 -3.27 0.06 0.00 0.04 0.00 0.00 34.50 31.21 1qbl s PRO 127 CO 0.02 0.54 0.25 -0.51 0.04 0.00 0.00 177.00 177.34 1qbl s LEU 128 N -1.15 5.00 -0.11 -3.56 1.02 0.13 -4.89 118.68 115.13 1qbl s LEU 128 Ca 0.38 -1.26 -0.03 0.00 0.02 0.00 0.00 54.13 53.24 1qbl s LEU 128 Cb -0.25 -2.02 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 1qbl s LEU 128 CO 0.29 -0.48 0.03 0.00 0.02 0.00 0.00 176.35 176.21 1qbl s ALA 129 N 1.50 3.38 0.51 4.21 0.00 -1.26 -1.44 121.76 128.66 1qbl s ALA 129 Ca 0.02 -0.77 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1qbl s ALA 129 Cb -0.21 -1.62 -0.08 0.00 0.00 0.00 0.00 23.12 21.21 1qbl s ALA 129 CO 0.05 0.52 0.88 -2.30 0.00 0.00 0.00 175.76 174.91 1qbl n PRO 130 N 2.36 1.01 -3.26 0.00 -0.02 -1.26 -4.92 135.00 128.90 1qbl n PRO 130 Ca -0.19 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 1qbl n PRO 130 Cb 0.54 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 1qbl n PRO 130 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1qbl s GLY 131 N -1.00 1.86 0.38 -1.23 0.00 -1.26 -4.82 107.32 101.25 1qbl s GLY 131 Ca 0.68 -1.65 0.25 0.00 0.00 0.00 0.00 44.72 44.00 1qbl s GLY 131 CO 0.53 1.27 0.93 -1.30 0.00 0.00 0.00 173.10 174.53 1qbl n THR 132 N 5.49 0.00 0.65 0.90 -2.24 -1.26 -3.54 114.28 114.28 1qbl n THR 132 Ca -0.07 0.89 0.05 0.00 -2.27 0.00 0.00 64.05 62.65 1qbl n THR 132 Cb 0.46 -1.54 0.31 0.00 -2.10 0.00 0.00 70.33 67.46 1qbl n THR 132 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qbl n ALA 133 N -2.25 1.85 0.08 6.98 0.00 -1.26 -0.93 120.51 124.98 1qbl n ALA 133 Ca 0.22 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1qbl n ALA 133 Cb 1.16 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.38 1qbl n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qbl n ALA 134 N -1.07 2.41 0.09 0.00 0.00 -1.23 -4.23 120.51 116.48 1qbl n ALA 134 Ca 0.08 -0.17 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1qbl n ALA 134 Cb 0.05 -0.23 -0.13 0.00 0.00 0.00 0.00 19.45 19.14 1qbl n ALA 134 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1qbl h LEU 135 N 0.00 0.31 0.00 0.00 5.85 -1.26 -3.30 115.31 116.91 1qbl h LEU 135 Ca 0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1qbl h LEU 135 Cb 0.27 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1qbl h LEU 135 CO 0.00 1.25 0.00 1.17 -0.34 0.00 0.00 178.44 180.52 1qbl n LYS 136 N -3.49 0.16 -3.39 1.25 3.00 -0.68 -4.63 118.16 110.39 1qbl n LYS 136 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.04 1qbl n LYS 136 Cb 0.99 -1.38 0.00 0.00 0.00 0.00 0.00 35.03 34.64 1qbl n LYS 136 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1qbl s SER 137 N -1.96 5.11 0.40 3.14 0.01 -1.24 -5.01 113.70 114.14 1qbl s SER 137 Ca 0.06 -0.79 0.14 0.00 1.31 0.00 0.00 55.95 56.67 1qbl s SER 137 Cb 0.03 -0.21 0.99 0.00 0.21 0.00 0.00 66.02 67.04 1qbl s SER 137 CO 0.05 -0.91 1.88 0.77 0.41 0.00 0.00 173.24 175.43 1qbl h SER 138 N 0.70 0.48 -4.29 2.44 4.64 -1.89 -3.35 113.55 112.28 1qbl h SER 138 Ca -0.38 0.04 -0.33 0.00 -0.47 0.00 0.00 61.79 60.65 1qbl h SER 138 Cb 1.28 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.14 1qbl h SER 138 CO 0.51 0.23 -0.73 -0.04 -0.87 0.00 0.00 176.83 175.92 1qbl s MET 139 N -5.50 0.90 0.03 4.77 -1.94 -1.26 -1.69 119.30 114.61 1qbl s MET 139 Ca -0.09 -1.21 0.04 0.00 -1.71 0.00 0.00 55.69 52.73 1qbl s MET 139 Cb 0.22 -0.59 -0.02 0.00 2.01 0.00 0.00 34.83 36.45 1qbl s MET 139 CO 0.78 0.09 -0.13 0.54 -0.01 0.00 0.00 175.02 176.29 1qbl s VAL 140 N -2.55 1.01 -0.09 -6.03 0.11 0.21 -4.64 120.40 108.42 1qbl s VAL 140 Ca 0.08 -0.93 -0.02 0.00 -2.93 0.00 0.00 61.98 58.18 1qbl s VAL 140 Cb -0.02 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1qbl s VAL 140 CO 0.00 -0.01 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.86 1qbl s THR 141 N -0.82 4.20 0.29 5.04 2.01 -1.26 -1.80 115.64 123.30 1qbl s THR 141 Ca 0.01 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1qbl s THR 141 Cb -0.07 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 1qbl s THR 141 CO 0.01 0.59 0.09 -0.76 -0.69 0.00 0.00 174.62 173.86 1qbl s LEU 142 N -0.73 1.81 0.00 4.42 1.43 0.17 -4.54 118.68 121.24 1qbl s LEU 142 Ca 0.11 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1qbl s LEU 142 Cb -0.12 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.02 1qbl s LEU 142 CO 0.02 -0.71 0.00 0.61 0.23 0.00 0.00 176.35 176.50 1qbl n GLY 143 N -0.55 2.30 3.35 -3.19 0.00 -0.52 -0.91 105.19 105.66 1qbl n GLY 143 Ca -0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 1qbl n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbl s LEU 145 N 2.11 4.28 -0.93 0.00 0.20 0.89 -3.04 118.68 122.19 1qbl s LEU 145 Ca -0.06 0.07 -0.10 0.00 0.69 0.00 0.00 54.13 54.73 1qbl s LEU 145 Cb -0.10 -2.83 0.24 0.00 -0.43 0.00 0.00 46.19 43.07 1qbl s LEU 145 CO -0.14 -0.68 0.88 -0.69 -0.29 0.00 0.00 176.35 175.44 1qbl s VAL 146 N 2.84 5.56 0.25 1.68 1.01 -0.27 -1.07 120.40 130.41 1qbl s VAL 146 Ca 0.26 -2.99 0.03 0.00 0.00 0.00 0.00 61.98 59.28 1qbl s VAL 146 Cb -0.14 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1qbl s VAL 146 CO 0.17 -1.09 0.40 -0.75 0.00 0.00 0.00 175.10 173.83 1qbl s LYS 147 N -0.53 3.46 -1.34 2.72 2.20 -0.12 -1.58 119.74 124.55 1qbl s LYS 147 Ca 0.24 -0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 55.21 1qbl s LYS 147 Cb -0.10 -2.83 -0.00 0.00 -1.51 0.00 0.00 37.83 33.38 1qbl s LYS 147 CO -0.08 0.36 0.51 0.41 -0.36 0.00 0.00 175.35 176.19 1qbl n GLY 148 N -1.31 -0.41 3.71 5.54 0.00 -0.94 -0.22 105.19 111.56 1qbl n GLY 148 Ca -0.07 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1qbl n GLY 148 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qbl s TYR 149 N -3.84 2.17 -0.29 1.61 1.13 -1.03 -4.51 117.35 112.58 1qbl s TYR 149 Ca 0.12 -0.82 -0.21 0.00 -1.41 0.00 0.00 57.07 54.76 1qbl s TYR 149 Cb -0.05 -1.71 0.17 0.00 -1.10 0.00 0.00 41.96 39.28 1qbl s TYR 149 CO 0.89 0.30 1.22 0.12 -2.51 0.00 0.00 175.55 175.57 1qbl s PHE 150 N -2.79 -0.24 0.56 -3.49 2.19 -0.94 -0.92 117.98 112.35 1qbl s PHE 150 Ca 0.20 0.53 0.09 0.00 0.33 0.00 0.00 56.93 58.08 1qbl s PHE 150 Cb 0.05 0.31 0.07 0.00 -1.31 0.00 0.00 43.02 42.14 1qbl s PHE 150 CO 0.11 -0.12 0.69 -2.14 1.83 0.00 0.00 175.22 175.59 1qbl s PRO 151 N 0.60 2.31 0.79 10.12 0.02 -1.26 -1.14 135.00 146.44 1qbl s PRO 151 Ca -0.01 -1.72 -0.13 0.00 0.02 0.00 0.00 61.00 59.16 1qbl s PRO 151 Cb -0.04 -2.52 0.08 0.00 0.02 0.00 0.00 34.50 32.04 1qbl s PRO 151 CO -0.12 -0.79 1.16 -1.21 -0.33 0.00 0.00 177.00 175.71 1qbl s GLU 152 N -4.57 1.82 0.19 5.54 0.41 -1.26 -4.83 118.70 116.01 1qbl s GLU 152 Ca 0.55 1.56 0.02 0.00 -0.41 0.00 0.00 54.97 56.69 1qbl s GLU 152 Cb -0.05 -1.82 0.02 0.00 -1.78 0.00 0.00 34.13 30.50 1qbl s GLU 152 CO 0.35 -2.03 0.14 -0.35 -0.49 0.00 0.00 175.26 172.88 1qbl n PRO 153 N -3.35 1.21 -4.06 0.39 -0.04 -1.26 -5.02 135.00 122.86 1qbl n PRO 153 Ca 0.12 -1.22 -0.08 0.00 -0.04 0.00 0.00 63.50 62.28 1qbl n PRO 153 Cb 0.51 0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 34.00 1qbl n PRO 153 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qbl s VAL 154 N -0.96 0.26 0.06 0.52 -7.23 -1.26 -4.36 120.40 107.43 1qbl s VAL 154 Ca 0.11 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1qbl s VAL 154 Cb -0.01 -1.11 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1qbl s VAL 154 CO 0.07 -0.80 -0.23 0.42 -0.31 0.00 0.00 175.10 174.25 1qbl s THR 155 N -3.00 1.87 -0.00 5.32 -4.23 -0.46 -4.94 115.64 110.20 1qbl s THR 155 Ca -0.00 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 1qbl s THR 155 Cb 0.01 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.21 1qbl s THR 155 CO -0.06 0.20 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.45 1qbl s VAL 156 N -0.88 0.68 0.09 2.29 1.01 -1.26 -1.45 120.40 120.89 1qbl s VAL 156 Ca 0.09 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1qbl s VAL 156 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1qbl s VAL 156 CO 0.03 0.14 0.03 -0.89 0.00 0.00 0.00 175.10 174.41 1qbl s THR 157 N -0.31 0.16 -0.02 3.92 2.01 -0.37 -4.97 115.64 116.05 1qbl s THR 157 Ca 0.02 -1.80 0.06 0.00 0.31 0.00 0.00 61.69 60.28 1qbl s THR 157 Cb -0.04 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.71 1qbl s THR 157 CO -0.00 -0.72 -0.20 0.26 -0.69 0.00 0.00 174.62 173.27 1qbl s TRP 158 N -3.97 1.81 -1.53 4.92 0.52 -1.26 -0.35 118.94 119.08 1qbl s TRP 158 Ca 0.15 -0.37 -0.03 0.00 0.02 0.00 0.00 56.10 55.87 1qbl s TRP 158 Cb 0.07 -1.17 0.03 0.00 -1.15 0.00 0.00 33.47 31.25 1qbl s TRP 158 CO -0.05 -0.05 0.07 0.09 0.02 0.00 0.00 176.95 177.03 1qbl n ASN 159 N 2.67 0.62 0.00 2.95 4.13 0.14 -1.43 115.26 124.34 1qbl n ASN 159 Ca -0.16 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 54.87 1qbl n ASN 159 Cb 0.53 -1.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.24 1qbl n ASN 159 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qbl n SER 160 N -2.73 0.00 0.00 6.41 7.64 -1.26 0.08 113.62 123.76 1qbl n SER 160 Ca -0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.61 1qbl n SER 160 Cb 0.65 -1.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1qbl n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbl n GLY 161 N -1.64 -0.22 0.03 0.23 0.00 -0.51 -4.96 105.19 98.12 1qbl n GLY 161 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1qbl n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qbl n SER 162 N 0.00 0.25 -3.78 1.61 7.64 0.11 -4.28 113.62 115.18 1qbl n SER 162 Ca 0.00 -0.05 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 1qbl n SER 162 Cb 0.00 -0.18 -0.12 0.00 -1.01 0.00 0.00 64.21 62.90 1qbl n SER 162 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qbl s LEU 163 N -2.80 3.89 -0.04 -3.43 1.02 -1.02 -4.95 118.68 111.35 1qbl s LEU 163 Ca 0.19 -3.53 0.18 0.00 0.02 0.00 0.00 54.13 50.99 1qbl s LEU 163 Cb 0.19 -1.33 -0.21 0.00 0.02 0.00 0.00 46.19 44.86 1qbl s LEU 163 CO 0.54 -0.13 0.52 -0.24 0.02 0.00 0.00 176.35 177.07 1qbl n SER 164 N 2.36 0.46 -4.49 2.29 2.88 -1.26 -4.06 113.62 111.81 1qbl n SER 164 Ca 0.20 0.21 -0.23 0.00 -1.33 0.00 0.00 58.87 57.71 1qbl n SER 164 Cb 0.37 0.70 -0.11 0.00 -0.75 0.00 0.00 64.21 64.42 1qbl n SER 164 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1qbl s SER 165 N -5.51 3.03 0.00 -3.46 1.04 -1.26 -4.60 113.70 102.94 1qbl s SER 165 Ca -0.06 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1qbl s SER 165 Cb 0.09 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1qbl s SER 165 CO 0.83 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 175.25 1qbl n GLY 166 N -0.72 0.51 3.40 7.32 0.00 -1.26 -4.79 105.19 109.66 1qbl n GLY 166 Ca -0.04 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1qbl n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbl s VAL 167 N -2.00 2.50 -0.23 1.61 0.11 -1.26 -0.32 120.40 120.82 1qbl s VAL 167 Ca 0.00 -1.22 -0.04 0.00 -2.93 0.00 0.00 61.98 57.79 1qbl s VAL 167 Cb 0.00 -2.01 0.10 0.00 -1.53 0.00 0.00 36.38 32.94 1qbl s VAL 167 CO 0.00 0.39 0.19 -1.00 -3.33 0.00 0.00 175.10 171.35 1qbl s HIS 168 N -0.84 -0.09 -0.42 1.54 3.76 -0.88 -4.95 115.29 113.41 1qbl s HIS 168 Ca 0.13 -0.19 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 1qbl s HIS 168 Cb -0.10 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.05 1qbl s HIS 168 CO 0.03 -0.69 0.34 0.99 -0.85 0.00 0.00 174.74 174.57 1qbl s THR 169 N 2.25 5.21 0.25 1.30 2.01 -1.26 -0.80 115.64 124.60 1qbl s THR 169 Ca 0.07 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1qbl s THR 169 Cb -0.16 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1qbl s THR 169 CO -0.20 -0.35 1.20 -0.36 -0.69 0.00 0.00 174.62 174.21 1qbl s PHE 170 N 1.81 3.38 0.58 4.92 0.08 0.79 -4.98 117.98 124.56 1qbl s PHE 170 Ca 0.07 1.49 -0.19 0.00 0.12 0.00 0.00 56.93 58.42 1qbl s PHE 170 Cb -0.19 -3.45 -0.06 0.00 -0.57 0.00 0.00 43.02 38.75 1qbl s PHE 170 CO 0.11 -1.20 0.90 -2.30 -0.10 0.00 0.00 175.22 172.63 1qbl n PRO 171 N 1.72 0.87 -2.98 0.24 -0.02 -1.26 -4.00 135.00 129.57 1qbl n PRO 171 Ca 0.02 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 1qbl n PRO 171 Cb 0.44 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 1qbl n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbl s ALA 172 N -1.53 3.22 -0.12 3.55 0.00 -1.26 -4.81 121.76 120.81 1qbl s ALA 172 Ca 0.74 0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1qbl s ALA 172 Cb -0.43 -2.90 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1qbl s ALA 172 CO 0.49 0.21 -0.00 0.08 0.00 0.00 0.00 175.76 176.54 1qbl s VAL 173 N -2.11 0.56 -0.47 0.00 1.01 -1.01 -4.95 120.40 113.43 1qbl s VAL 173 Ca 0.57 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1qbl s VAL 173 Cb -0.10 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.50 1qbl s VAL 173 CO 0.18 0.13 1.30 -0.22 0.00 0.00 0.00 175.10 176.49 1qbl s LEU 174 N 1.88 3.56 -0.02 3.92 0.20 -1.26 -3.13 118.68 123.83 1qbl s LEU 174 Ca 0.03 0.56 0.05 0.00 0.69 0.00 0.00 54.13 55.46 1qbl s LEU 174 Cb -0.14 -3.44 -0.01 0.00 -0.43 0.00 0.00 46.19 42.17 1qbl s LEU 174 CO -0.07 -1.42 -0.18 -1.10 -0.29 0.00 0.00 176.35 173.29 1qbl s GLN 175 N 4.87 1.55 -1.52 1.98 -0.21 0.57 -4.79 119.66 122.11 1qbl s GLN 175 Ca 0.54 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 55.21 1qbl s GLN 175 Cb -0.10 -1.46 0.06 0.00 1.00 0.00 0.00 33.01 32.51 1qbl s GLN 175 CO 0.31 0.36 0.53 0.43 -2.12 0.00 0.00 175.29 174.80 1qbl n SER 176 N 2.74 -1.38 0.00 5.90 7.64 -1.26 -1.25 113.62 126.01 1qbl n SER 176 Ca -0.16 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1qbl n SER 176 Cb 0.54 -2.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 1qbl n SER 176 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qbl n ASP 177 N -2.87 0.00 -4.46 6.43 8.00 -1.26 -4.98 116.55 117.41 1qbl n ASP 177 Ca -0.17 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.06 1qbl n ASP 177 Cb 0.62 -0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.46 1qbl n ASP 177 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qbl s LEU 178 N 0.00 2.56 0.53 0.64 1.43 -0.38 -4.67 118.68 118.80 1qbl s LEU 178 Ca 0.00 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1qbl s LEU 178 Cb 0.00 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 44.96 1qbl s LEU 178 CO 0.00 0.12 0.75 -0.31 0.23 0.00 0.00 176.35 177.14 1qbl s TYR 179 N -1.66 2.89 -0.27 0.29 2.02 -0.10 -0.31 117.35 120.21 1qbl s TYR 179 Ca 0.22 -0.01 -0.24 0.00 -0.37 0.00 0.00 57.07 56.67 1qbl s TYR 179 Cb -0.08 -2.69 0.08 0.00 -0.40 0.00 0.00 41.96 38.87 1qbl s TYR 179 CO 0.11 -0.80 0.80 0.99 -1.57 0.00 0.00 175.55 175.08 1qbl s THR 180 N -2.72 0.00 0.23 -0.71 2.01 -1.18 -2.20 115.64 111.06 1qbl s THR 180 Ca 0.56 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.54 1qbl s THR 180 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 1qbl s THR 180 CO 0.38 0.00 0.23 -1.48 -0.69 0.00 0.00 174.62 173.06 1qbl s LEU 181 N 0.47 1.03 0.06 4.42 0.05 -0.61 -2.40 118.68 121.69 1qbl s LEU 181 Ca -0.00 -1.33 -0.04 0.00 0.05 0.00 0.00 54.13 52.80 1qbl s LEU 181 Cb -0.05 0.72 -0.02 0.00 -2.05 0.00 0.00 46.19 44.79 1qbl s LEU 181 CO -0.03 -0.94 0.06 0.42 -0.55 0.00 0.00 176.35 175.31 1qbl s THR 182 N -4.02 0.17 -0.03 5.48 -4.23 -1.26 -1.11 115.64 110.65 1qbl s THR 182 Ca 0.35 -1.43 -0.02 0.00 -1.18 0.00 0.00 61.69 59.42 1qbl s THR 182 Cb 0.05 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.64 1qbl s THR 182 CO 0.13 -0.79 0.07 -0.55 -0.54 0.00 0.00 174.62 172.94 1qbl s SER 183 N -2.65 -0.03 0.20 3.99 0.15 -1.17 -0.15 113.70 114.05 1qbl s SER 183 Ca 0.03 0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.89 1qbl s SER 183 Cb 0.04 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1qbl s SER 183 CO -0.09 -0.08 -0.01 -0.55 1.20 0.00 0.00 173.24 173.71 1qbl s SER 184 N 0.58 4.63 -0.14 5.45 0.15 0.02 -2.44 113.70 121.96 1qbl s SER 184 Ca -0.05 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.03 1qbl s SER 184 Cb -0.06 -0.92 0.05 0.00 -1.71 0.00 0.00 66.02 63.38 1qbl s SER 184 CO -0.02 0.06 0.33 0.54 1.20 0.00 0.00 173.24 175.35 1qbl s VAL 185 N -1.90 -0.03 -0.21 4.45 0.11 -0.09 -2.08 120.40 120.65 1qbl s VAL 185 Ca 0.28 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.42 1qbl s VAL 185 Cb -0.08 -0.50 0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1qbl s VAL 185 CO 0.18 0.04 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.01 1qbl s THR 186 N 1.20 2.83 0.14 5.04 2.01 0.57 -0.65 115.64 126.77 1qbl s THR 186 Ca -0.08 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.21 1qbl s THR 186 Cb -0.09 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1qbl s THR 186 CO -0.09 0.42 -0.10 0.68 -0.69 0.00 0.00 174.62 174.84 1qbl s VAL 187 N 1.39 1.15 0.57 3.82 -7.23 -0.74 -4.75 120.40 114.60 1qbl s VAL 187 Ca 0.04 -2.05 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1qbl s VAL 187 Cb -0.14 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1qbl s VAL 187 CO -0.07 -0.75 1.16 -2.84 -0.31 0.00 0.00 175.10 172.29 1qbl s PRO 188 N -3.74 3.18 0.29 4.82 0.02 -1.26 0.65 135.00 138.95 1qbl s PRO 188 Ca 0.16 1.68 0.21 0.00 0.02 0.00 0.00 61.00 63.08 1qbl s PRO 188 Cb 0.03 -1.97 1.08 0.00 0.02 0.00 0.00 34.50 33.65 1qbl s PRO 188 CO 0.00 -1.01 1.65 -1.13 -0.33 0.00 0.00 177.00 176.19 1qbl n SER 189 N -1.48 0.57 0.19 2.53 3.41 -0.68 -0.23 113.62 117.93 1qbl n SER 189 Ca 0.12 0.73 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 1qbl n SER 189 Cb 0.50 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.91 1qbl n SER 189 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1qbl h SER 190 N 0.00 0.00 -0.69 4.04 4.64 -1.89 -3.33 113.55 116.32 1qbl h SER 190 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qbl h SER 190 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1qbl h SER 190 CO 0.00 0.00 0.00 0.41 -0.87 0.00 0.00 176.83 176.37 1qbl n THR 191 N -2.88 0.94 -3.64 2.95 -1.04 0.68 -4.69 114.28 106.59 1qbl n THR 191 Ca 0.04 -0.97 -0.05 0.00 -2.04 0.00 0.00 64.05 61.04 1qbl n THR 191 Cb 0.49 0.56 -0.07 0.00 -1.82 0.00 0.00 70.33 69.49 1qbl n THR 191 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1qbl s TRP 192 N -1.06 -0.17 -0.91 -1.42 -0.00 -1.24 -3.62 118.94 110.53 1qbl s TRP 192 Ca 0.48 0.41 0.01 0.00 -0.00 0.00 0.00 56.10 56.99 1qbl s TRP 192 Cb 0.25 0.45 0.06 0.00 -0.00 0.00 0.00 33.47 34.23 1qbl s TRP 192 CO 0.33 -0.08 0.61 -0.35 -0.00 0.00 0.00 176.95 177.46 1qbl n PRO 193 N 1.72 1.27 0.15 5.86 -0.04 -1.26 -4.74 135.00 137.96 1qbl n PRO 193 Ca -0.11 -0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.00 1qbl n PRO 193 Cb 0.57 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 1qbl n PRO 193 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1qbl h SER 194 N 0.28 -0.33 -1.72 3.54 0.02 -1.84 -3.44 113.55 110.05 1qbl h SER 194 Ca 0.00 -0.18 -0.43 0.00 -0.84 0.00 0.00 61.79 60.34 1qbl h SER 194 Cb 0.63 0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.27 1qbl h SER 194 CO 0.04 0.03 -0.28 -1.10 -1.14 0.00 0.00 176.83 174.38 1qbl s GLN 195 N -4.68 2.96 0.36 3.45 -1.52 -1.24 -5.12 119.66 113.88 1qbl s GLN 195 Ca -0.14 -1.08 0.02 0.00 -1.95 0.00 0.00 55.36 52.21 1qbl s GLN 195 Cb 0.02 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 30.03 1qbl s GLN 195 CO 0.55 -0.14 0.55 -0.08 -0.25 0.00 0.00 175.29 175.92 1qbl s THR 196 N -2.30 4.55 -0.09 -0.19 -1.32 -1.26 -4.29 115.64 110.74 1qbl s THR 196 Ca 0.50 -0.66 -0.04 0.00 -1.21 0.00 0.00 61.69 60.29 1qbl s THR 196 Cb -0.10 -3.64 0.05 0.00 -1.51 0.00 0.00 72.50 67.30 1qbl s THR 196 CO 0.33 -0.37 0.18 -0.69 -2.21 0.00 0.00 174.62 171.86 1qbl s VAL 197 N -2.32 -0.18 -0.00 5.08 1.01 -1.26 -5.03 120.40 117.70 1qbl s VAL 197 Ca 0.43 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.67 1qbl s VAL 197 Cb -0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 1qbl s VAL 197 CO 0.35 0.11 -0.02 0.28 0.00 0.00 0.00 175.10 175.81 1qbl s THR 198 N 1.77 0.18 0.10 3.92 -1.32 -1.26 -1.34 115.64 117.70 1qbl s THR 198 Ca -0.03 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 60.36 1qbl s THR 198 Cb -0.12 -0.16 -0.04 0.00 -1.51 0.00 0.00 72.50 70.67 1qbl s THR 198 CO -0.07 0.05 0.19 0.00 -2.21 0.00 0.00 174.62 172.58 1qbl s ASN 200 N -2.75 2.67 0.23 0.00 -0.87 0.53 -0.66 114.94 114.09 1qbl s ASN 200 Ca 0.33 -0.68 0.08 0.00 -1.57 0.00 0.00 52.86 51.02 1qbl s ASN 200 Cb -0.12 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.25 40.48 1qbl s ASN 200 CO 0.26 -0.28 0.06 0.68 -2.57 0.00 0.00 177.10 175.25 1qbl s VAL 201 N 1.86 3.86 -0.11 1.60 -7.23 -1.06 -1.24 120.40 118.09 1qbl s VAL 201 Ca 0.00 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1qbl s VAL 201 Cb -0.16 -3.03 0.05 0.00 0.56 0.00 0.00 36.38 33.80 1qbl s VAL 201 CO -0.07 -0.27 0.24 0.00 -0.31 0.00 0.00 175.10 174.68 1qbl s ALA 202 N -2.06 -0.52 -0.68 1.32 0.00 -0.53 -2.57 121.76 116.72 1qbl s ALA 202 Ca 0.31 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1qbl s ALA 202 Cb -0.08 -0.73 0.19 0.00 0.00 0.00 0.00 23.12 22.50 1qbl s ALA 202 CO 0.21 -0.33 0.56 1.58 0.00 0.00 0.00 175.76 177.79 1qbl n HIS 203 N 4.57 3.28 -0.17 0.00 -0.00 -0.85 -1.35 115.22 120.71 1qbl n HIS 203 Ca -0.20 -4.25 0.03 0.00 0.46 0.00 0.00 57.72 53.76 1qbl n HIS 203 Cb 0.52 -0.59 0.07 0.00 -0.12 0.00 0.00 29.99 29.87 1qbl n HIS 203 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1qbl n PRO 204 N 1.66 -0.04 0.16 1.57 -0.02 -1.26 -0.48 135.00 136.58 1qbl n PRO 204 Ca 0.23 0.73 0.09 0.00 -2.02 0.00 0.00 63.50 62.53 1qbl n PRO 204 Cb 0.37 -1.09 0.50 0.00 -0.02 0.00 0.00 33.50 33.25 1qbl n PRO 204 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbl n ALA 205 N -3.80 0.91 0.20 3.55 0.00 -1.26 -1.03 120.51 119.08 1qbl n ALA 205 Ca 0.08 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.72 1qbl n ALA 205 Cb 0.24 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 1qbl n ALA 205 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qbl n SER 206 N -2.16 1.44 -0.23 0.00 3.41 0.37 -4.92 113.62 111.52 1qbl n SER 206 Ca -0.01 -0.42 -0.03 0.00 -0.26 0.00 0.00 58.87 58.15 1qbl n SER 206 Cb 0.12 1.11 -0.01 0.00 -0.26 0.00 0.00 64.21 65.17 1qbl n SER 206 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qbl n SER 207 N -1.37 -3.37 -4.72 4.04 7.64 -0.19 -5.00 113.62 110.65 1qbl n SER 207 Ca 0.00 0.08 -0.40 0.00 1.01 0.00 0.00 58.87 59.56 1qbl n SER 207 Cb 0.13 -1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 62.15 1qbl n SER 207 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qbl s THR 208 N -2.11 5.01 -0.25 0.44 2.01 -1.24 -5.00 115.64 114.49 1qbl s THR 208 Ca 0.00 1.51 -0.02 0.00 0.31 0.00 0.00 61.69 63.49 1qbl s THR 208 Cb 0.00 -4.07 0.11 0.00 0.01 0.00 0.00 72.50 68.56 1qbl s THR 208 CO 0.00 0.25 0.25 -0.75 -0.69 0.00 0.00 174.62 173.69 1qbl s LYS 209 N 0.74 0.26 0.43 4.92 2.20 -1.26 -2.00 119.74 125.02 1qbl s LYS 209 Ca 0.39 0.00 0.08 0.00 -0.36 0.00 0.00 55.97 56.08 1qbl s LYS 209 Cb -0.18 -0.93 -0.02 0.00 -1.51 0.00 0.00 37.83 35.20 1qbl s LYS 209 CO 0.19 -0.85 0.38 0.14 -0.36 0.00 0.00 175.35 174.85 1qbl s VAL 210 N 2.33 2.54 0.03 4.02 -7.23 -1.06 -5.01 120.40 116.02 1qbl s VAL 210 Ca 0.08 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 1qbl s VAL 210 Cb -0.15 -2.91 -0.02 0.00 0.56 0.00 0.00 36.38 33.86 1qbl s VAL 210 CO -0.24 0.00 -0.04 -1.81 -0.31 0.00 0.00 175.10 172.70 1qbl s ASP 211 N -4.14 0.43 -0.23 4.85 1.11 -1.26 -2.56 116.67 114.87 1qbl s ASP 211 Ca 0.47 -0.51 -0.04 0.00 0.18 0.00 0.00 52.55 52.65 1qbl s ASP 211 Cb -0.03 0.08 0.12 0.00 1.07 0.00 0.00 42.92 44.16 1qbl s ASP 211 CO 0.27 -0.26 0.40 -0.75 1.18 0.00 0.00 175.17 176.01 1qbl s LYS 212 N -1.47 0.34 0.13 8.23 2.20 0.16 -4.96 119.74 124.38 1qbl s LYS 212 Ca -0.14 0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 55.93 1qbl s LYS 212 Cb -0.10 -0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.05 1qbl s LYS 212 CO -0.01 -0.48 1.07 0.21 -0.36 0.00 0.00 175.35 175.79 1qbl s LYS 213 N 2.58 4.59 -0.35 4.03 2.20 -1.26 -1.74 119.74 129.79 1qbl s LYS 213 Ca 0.07 1.64 -0.24 0.00 -0.36 0.00 0.00 55.97 57.08 1qbl s LYS 213 Cb -0.14 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.86 1qbl s LYS 213 CO -0.15 0.04 0.82 0.42 -0.36 0.00 0.00 175.35 176.13 1qbl s ILE 214 N 0.12 4.71 -0.02 5.43 1.09 -0.45 -4.89 121.20 127.19 1qbl s ILE 214 Ca 0.50 1.05 0.04 0.00 -1.10 0.00 0.00 60.65 61.14 1qbl s ILE 214 Cb -0.27 -4.22 -0.03 0.00 -1.06 0.00 0.00 42.46 36.87 1qbl s ILE 214 CO 0.32 -0.41 -0.12 0.54 -0.10 0.00 0.00 174.94 175.17 1qbl s VAL 215 N 3.15 3.22 0.55 2.92 0.11 -1.26 -4.71 120.40 124.39 1qbl s VAL 215 Ca 0.33 -0.80 -0.22 0.00 -2.93 0.00 0.00 61.98 58.37 1qbl s VAL 215 Cb -0.13 -2.32 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 1qbl s VAL 215 CO 0.16 0.49 1.37 -2.84 -3.33 0.00 0.00 175.10 170.95 1qbl s PRO 216 N -1.05 3.08 0.00 1.54 0.02 -1.26 -4.76 135.00 132.57 1qbl s PRO 216 Ca 0.14 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.42 1qbl s PRO 216 Cb -0.11 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1qbl s PRO 216 CO 0.03 -1.25 0.00 2.89 -0.33 0.00 0.00 177.00 178.35 1qbl n ARG 217 N -1.09 1.04 -0.66 5.54 1.85 -1.26 -4.64 116.66 117.43 1qbl n ARG 217 Ca 0.11 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.88 1qbl n ARG 217 Cb 0.45 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.75 1qbl n ARG 217 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1qbl n ASN 218 N 0.00 3.56 0.00 2.89 6.94 -1.26 -5.18 115.26 122.21 1qbl n ASN 218 Ca 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.41 1qbl n ASN 218 Cb 0.00 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 36.47 1qbl n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23