#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qin n GLY 9 N 0.00 2.01 3.77 -0.02 0.00 -1.26 -5.08 105.19 104.61 1qin n GLY 9 Ca 0.00 -2.12 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1qin n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qin s LEU 10 N 0.00 4.11 0.73 0.99 1.43 -1.26 -5.03 118.68 119.65 1qin s LEU 10 Ca 0.00 2.25 -0.11 0.00 -1.03 0.00 0.00 54.13 55.23 1qin s LEU 10 Cb 0.00 -4.15 0.03 0.00 0.03 0.00 0.00 46.19 42.10 1qin s LEU 10 CO 0.00 -0.72 1.10 0.42 0.23 0.00 0.00 176.35 177.38 1qin s THR 11 N -1.53 3.34 0.21 5.49 -4.23 -1.26 -4.87 115.64 112.79 1qin s THR 11 Ca 0.60 0.43 -0.09 0.00 -1.18 0.00 0.00 61.69 61.45 1qin s THR 11 Cb -0.28 -3.37 0.15 0.00 1.34 0.00 0.00 72.50 70.34 1qin s THR 11 CO 0.34 -0.57 1.83 0.44 -0.54 0.00 0.00 174.62 176.12 1qin h ASP 12 N -0.77 0.63 -0.26 3.99 3.32 -1.99 -1.43 116.42 119.91 1qin h ASP 12 Ca -0.45 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 1qin h ASP 12 Cb 1.26 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1qin h ASP 12 CO 0.63 0.42 0.14 -0.33 -1.72 0.00 0.00 179.24 178.38 1qin h GLU 13 N 0.77 0.37 -0.62 3.56 3.07 -1.99 -0.79 114.58 118.95 1qin h GLU 13 Ca 0.30 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.04 1qin h GLU 13 Cb 0.13 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 1qin h GLU 13 CO -0.15 0.33 0.09 0.00 -1.40 0.00 0.00 179.01 177.88 1qin h ALA 14 N 1.02 0.98 -0.33 3.43 0.00 -1.87 -1.35 119.26 121.14 1qin h ALA 14 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qin h ALA 14 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1qin h ALA 14 CO -0.01 0.64 0.18 0.00 0.00 0.00 0.00 179.25 180.06 1qin h ALA 15 N 1.13 0.42 -0.17 0.00 0.00 -1.02 -2.48 119.26 117.15 1qin h ALA 15 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1qin h ALA 15 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qin h ALA 15 CO 0.01 -0.05 -0.11 -0.07 0.00 0.00 0.00 179.25 179.04 1qin h LEU 16 N 0.41 0.24 -1.86 0.00 3.38 -0.92 -1.88 115.31 114.68 1qin h LEU 16 Ca 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qin h LEU 16 Cb 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qin h LEU 16 CO -0.02 0.38 -0.02 -1.28 0.09 0.00 0.00 178.44 177.59 1qin h SER 17 N 0.25 0.00 0.20 -0.43 0.87 -0.80 -2.08 113.55 111.56 1qin h SER 17 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1qin h SER 17 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1qin h SER 17 CO 0.02 0.02 -0.27 0.00 -0.53 0.00 0.00 176.83 176.08 1qin s SER 20 N -0.51 4.89 0.68 0.00 0.01 -1.26 -5.02 113.70 112.49 1qin s SER 20 Ca 0.19 -0.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.95 1qin s SER 20 Cb -0.14 -1.09 0.01 0.00 0.21 0.00 0.00 66.02 65.01 1qin s SER 20 CO 0.08 0.09 1.15 -1.81 0.41 0.00 0.00 173.24 173.16 1qin s ASP 21 N -2.92 4.75 -0.04 2.44 1.01 -1.26 -4.93 116.67 115.73 1qin s ASP 21 Ca 0.28 2.17 -0.30 0.00 0.71 0.00 0.00 52.55 55.41 1qin s ASP 21 Cb -0.10 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 1qin s ASP 21 CO 0.19 -1.88 1.37 0.00 0.21 0.00 0.00 175.17 175.06 1qin s ALA 22 N -2.14 3.58 0.37 5.23 0.00 -1.26 -4.99 121.76 122.55 1qin s ALA 22 Ca 0.71 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 53.17 1qin s ALA 22 Cb -0.25 -3.60 -0.11 0.00 0.00 0.00 0.00 23.12 19.16 1qin s ALA 22 CO 0.42 -0.96 1.46 -3.47 0.00 0.00 0.00 175.76 173.21 1qin n ASP 23 N 5.65 3.66 0.11 0.00 -0.08 -1.26 -4.89 116.55 119.74 1qin n ASP 23 Ca 0.13 1.22 0.19 0.00 -1.51 0.00 0.00 54.79 54.82 1qin n ASP 23 Cb 0.44 -1.60 0.75 0.00 2.34 0.00 0.00 41.12 43.05 1qin n ASP 23 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1qin h PRO 24 N 2.94 0.00 0.00 -0.67 0.11 -2.02 -1.55 132.00 130.81 1qin h PRO 24 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qin h PRO 24 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1qin h PRO 24 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1qin n SER 25 N -4.00 0.00 -0.61 -2.05 3.41 -1.26 -2.70 113.62 106.41 1qin n SER 25 Ca 0.06 -0.35 0.06 0.00 -0.26 0.00 0.00 58.87 58.38 1qin n SER 25 Cb 0.48 -0.14 0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1qin n SER 25 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qin n THR 26 N -1.14 0.41 0.00 6.66 -2.24 -0.58 -4.76 114.28 112.63 1qin n THR 26 Ca 0.13 -0.71 0.17 0.00 -2.27 0.00 0.00 64.05 61.38 1qin n THR 26 Cb 0.12 0.95 0.64 0.00 -2.10 0.00 0.00 70.33 69.94 1qin n THR 26 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1qin h LYS 27 N 2.46 0.10 -0.62 -0.78 2.10 -1.62 -2.09 116.57 116.13 1qin h LYS 27 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1qin h LYS 27 Cb 0.63 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1qin h LYS 27 CO 0.00 0.07 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 1qin n ASP 28 N -4.42 3.73 -4.76 7.07 8.00 -1.26 -4.99 116.55 119.91 1qin n ASP 28 Ca 0.09 -2.04 -0.37 0.00 0.71 0.00 0.00 54.79 53.17 1qin n ASP 28 Cb 0.50 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1qin n ASP 28 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qin s PHE 29 N -1.08 2.52 -0.01 1.24 0.40 -0.79 -5.04 117.98 115.22 1qin s PHE 29 Ca 0.42 1.48 -0.06 0.00 -0.60 0.00 0.00 56.93 58.16 1qin s PHE 29 Cb 0.22 -3.54 0.00 0.00 0.51 0.00 0.00 43.02 40.21 1qin s PHE 29 CO 0.28 -2.19 0.12 -0.48 0.70 0.00 0.00 175.22 173.65 1qin s LEU 30 N -3.56 1.60 -0.67 -0.37 0.05 -1.26 -5.09 118.68 109.37 1qin s LEU 30 Ca 0.71 -0.15 -0.24 0.00 0.05 0.00 0.00 54.13 54.51 1qin s LEU 30 Cb -0.33 0.60 0.06 0.00 -2.05 0.00 0.00 46.19 44.47 1qin s LEU 30 CO 0.38 -0.31 1.03 -0.22 -0.55 0.00 0.00 176.35 176.67 1qin s LEU 31 N -1.15 4.13 -0.10 1.48 2.96 -1.26 -4.87 118.68 119.87 1qin s LEU 31 Ca -0.12 -0.85 -0.07 0.00 -0.22 0.00 0.00 54.13 52.86 1qin s LEU 31 Cb -0.07 -2.47 -0.27 0.00 0.50 0.00 0.00 46.19 43.88 1qin s LEU 31 CO 0.01 -1.51 0.45 -0.61 -1.32 0.00 0.00 176.35 173.37 1qin h GLN 32 N 9.65 0.29 -3.58 1.98 -0.00 -1.94 -2.40 115.11 119.11 1qin h GLN 32 Ca -0.29 -0.50 -0.06 0.00 -0.00 0.00 0.00 58.65 57.80 1qin h GLN 32 Cb 1.07 0.19 -0.12 0.00 0.00 0.00 0.00 27.48 28.61 1qin h GLN 32 CO 1.20 1.23 -0.17 1.14 0.00 0.00 0.00 178.83 182.23 1qin s GLN 33 N -2.57 1.13 -0.07 1.69 -2.07 -1.26 -1.07 119.66 115.44 1qin s GLN 33 Ca -0.20 -0.92 0.01 0.00 -1.82 0.00 0.00 55.36 52.42 1qin s GLN 33 Cb 0.06 0.43 0.02 0.00 -1.09 0.00 0.00 33.01 32.44 1qin s GLN 33 CO 0.79 -0.43 -0.08 0.99 -1.32 0.00 0.00 175.29 175.25 1qin s THR 34 N -3.88 0.85 -0.15 3.63 2.01 -0.88 -4.93 115.64 112.29 1qin s THR 34 Ca 0.09 -0.27 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1qin s THR 34 Cb 0.02 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1qin s THR 34 CO -0.06 0.31 -0.03 -0.32 -0.69 0.00 0.00 174.62 173.83 1qin s MET 35 N 1.09 3.67 0.02 4.92 1.75 -1.26 -0.81 119.30 128.69 1qin s MET 35 Ca -0.07 -0.50 0.05 0.00 -1.25 0.00 0.00 55.69 53.93 1qin s MET 35 Cb -0.14 -2.94 -0.02 0.00 2.84 0.00 0.00 34.83 34.57 1qin s MET 35 CO -0.01 0.27 -0.16 -0.51 -0.65 0.00 0.00 175.02 173.96 1qin s LEU 36 N 0.30 2.12 0.03 4.11 1.43 0.02 -4.98 118.68 121.71 1qin s LEU 36 Ca -0.03 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.47 1qin s LEU 36 Cb -0.14 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1qin s LEU 36 CO 0.03 0.13 0.56 -0.13 0.23 0.00 0.00 176.35 177.16 1qin s ARG 37 N -0.87 4.21 -0.05 1.70 0.52 -1.26 -0.86 118.95 122.34 1qin s ARG 37 Ca 0.05 0.69 0.04 0.00 -0.52 0.00 0.00 55.73 55.99 1qin s ARG 37 Cb -0.07 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.12 1qin s ARG 37 CO 0.01 0.54 -0.18 0.14 0.02 0.00 0.00 175.30 175.82 1qin s VAL 38 N -0.73 1.52 0.17 3.52 -7.23 -0.16 -4.85 120.40 112.63 1qin s VAL 38 Ca 0.29 -0.75 -0.10 0.00 -1.81 0.00 0.00 61.98 59.60 1qin s VAL 38 Cb -0.19 -1.31 0.04 0.00 0.56 0.00 0.00 36.38 35.48 1qin s VAL 38 CO 0.17 0.44 1.62 0.50 -0.31 0.00 0.00 175.10 177.52 1qin h LYS 39 N 6.36 1.00 -3.09 4.82 3.64 -1.94 -3.41 116.57 123.95 1qin h LYS 39 Ca -0.31 -0.33 -0.48 0.00 -1.27 0.00 0.00 60.65 58.26 1qin h LYS 39 Cb 1.18 -0.08 -0.41 0.00 -0.41 0.00 0.00 32.23 32.51 1qin h LYS 39 CO 0.48 1.01 -0.76 0.34 -2.27 0.00 0.00 179.45 178.25 1qin s ASP 40 N -6.52 2.59 0.48 4.20 -1.08 -1.26 -2.30 116.67 112.78 1qin s ASP 40 Ca -0.12 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 51.42 1qin s ASP 40 Cb 0.13 -0.31 1.23 0.00 -1.46 0.00 0.00 42.92 42.51 1qin s ASP 40 CO 0.85 -0.36 1.97 1.55 0.52 0.00 0.00 175.17 179.71 1qin h PRO 41 N 8.39 0.00 -0.43 4.34 0.13 -1.97 -2.57 132.00 139.89 1qin h PRO 41 Ca -0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1qin h PRO 41 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1qin h PRO 41 CO 0.32 0.18 0.13 0.87 -0.23 0.00 0.00 178.00 179.26 1qin h LYS 42 N 0.00 0.66 -0.35 0.86 1.57 -1.99 0.63 116.57 117.96 1qin h LYS 42 Ca -0.00 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1qin h LYS 42 Cb 0.49 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1qin h LYS 42 CO 0.02 0.66 -0.03 0.87 -0.57 0.00 0.00 179.45 180.39 1qin h LYS 43 N 0.55 0.64 -0.43 3.15 1.57 -1.92 -2.68 116.57 117.45 1qin h LYS 43 Ca 0.14 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1qin h LYS 43 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1qin h LYS 43 CO -0.00 0.78 0.14 0.77 -0.57 0.00 0.00 179.45 180.57 1qin h SER 44 N 0.44 0.62 -0.62 0.86 0.02 -1.35 -0.96 113.55 112.55 1qin h SER 44 Ca 0.09 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1qin h SER 44 Cb 0.51 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1qin h SER 44 CO 0.02 0.65 0.34 -0.07 -1.14 0.00 0.00 176.83 176.64 1qin h LEU 45 N 0.55 0.78 -0.45 5.07 3.38 -0.91 0.09 115.31 123.82 1qin h LEU 45 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qin h LEU 45 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1qin h LEU 45 CO -0.01 0.65 0.23 -0.78 0.09 0.00 0.00 178.44 178.62 1qin h ASP 46 N 0.85 0.59 0.55 -0.43 3.58 -1.31 -1.64 116.42 118.60 1qin h ASP 46 Ca 0.22 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.52 1qin h ASP 46 Cb 0.04 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 40.94 1qin h ASP 46 CO -0.04 0.54 -0.26 0.15 -2.88 0.00 0.00 179.24 176.75 1qin h PHE 47 N 0.59 -0.68 -0.06 0.28 3.57 -0.74 0.00 116.94 119.90 1qin h PHE 47 Ca 0.16 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 1qin h PHE 47 Cb 0.10 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1qin h PHE 47 CO -0.01 -0.39 -0.24 1.88 -2.23 0.00 0.00 178.31 177.32 1qin h TYR 48 N -0.81 0.10 0.04 0.41 0.05 -1.00 -1.25 116.97 114.52 1qin h TYR 48 Ca -0.07 -0.02 -0.24 0.00 0.05 0.00 0.00 58.73 58.45 1qin h TYR 48 Cb 0.59 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.28 1qin h TYR 48 CO -0.02 0.34 -1.31 1.79 -1.05 0.00 0.00 178.16 177.91 1qin h THR 49 N 0.09 0.95 -0.02 -2.88 1.35 -1.25 -0.96 112.91 110.19 1qin h THR 49 Ca 0.01 -2.25 -0.09 0.00 -0.55 0.00 0.00 66.41 63.54 1qin h THR 49 Cb 0.48 2.42 0.01 0.00 -1.73 0.00 0.00 68.15 69.33 1qin h THR 49 CO 0.03 0.48 -0.33 -0.09 -0.25 0.00 0.00 175.52 175.37 1qin h ARG 50 N -0.74 0.25 0.00 4.72 2.43 -1.08 -2.17 114.38 117.80 1qin h ARG 50 Ca -0.33 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.59 1qin h ARG 50 Cb 1.46 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1qin h ARG 50 CO -0.11 0.95 -0.00 0.28 -1.51 0.00 0.00 179.97 179.57 1qin h VAL 51 N -0.36 1.68 -0.00 0.20 2.07 -1.28 -3.38 116.25 115.18 1qin h VAL 51 Ca -0.04 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1qin h VAL 51 Cb 1.05 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 1qin h VAL 51 CO 0.06 0.57 -0.58 0.18 0.02 0.00 0.00 177.57 177.82 1qin n LEU 52 N -4.63 1.07 -0.54 2.57 4.77 -1.01 -4.99 117.00 114.24 1qin n LEU 52 Ca -0.09 -0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 55.48 1qin n LEU 52 Cb 0.45 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1qin n LEU 52 CO 0.32 0.23 -0.06 0.61 -1.33 0.00 0.00 177.39 177.15 1qin n GLY 53 N 1.45 0.49 3.91 -0.72 0.00 -0.81 -4.96 105.19 104.55 1qin n GLY 53 Ca 0.07 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 1qin n GLY 53 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qin s MET 54 N -3.34 3.01 -0.07 1.61 -1.94 -0.39 -4.91 119.30 113.27 1qin s MET 54 Ca 0.00 0.04 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1qin s MET 54 Cb 0.00 -2.28 -0.03 0.00 2.01 0.00 0.00 34.83 34.54 1qin s MET 54 CO 0.00 -0.64 -0.09 0.99 -0.01 0.00 0.00 175.02 175.27 1qin s THR 55 N -2.97 3.54 -0.37 2.05 2.01 0.64 -4.29 115.64 116.25 1qin s THR 55 Ca 0.53 -0.53 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 1qin s THR 55 Cb -0.11 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1qin s THR 55 CO 0.45 0.59 1.33 -0.22 -0.69 0.00 0.00 174.62 176.08 1qin s LEU 56 N -0.65 3.72 -0.01 4.42 2.96 -1.26 -1.37 118.68 126.48 1qin s LEU 56 Ca 0.10 0.94 0.22 0.00 -0.22 0.00 0.00 54.13 55.16 1qin s LEU 56 Cb -0.11 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.79 1qin s LEU 56 CO 0.02 -1.26 0.75 2.30 -1.32 0.00 0.00 176.35 176.83 1qin n ILE 57 N 6.68 0.02 -3.64 6.68 -5.35 -0.04 -4.98 119.36 118.72 1qin n ILE 57 Ca 0.15 -0.22 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 1qin n ILE 57 Cb 0.48 0.52 -0.07 0.00 -1.74 0.00 0.00 39.64 38.83 1qin n ILE 57 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1qin s GLN 58 N -3.23 0.40 -0.09 6.28 2.00 -1.22 -4.90 119.66 118.90 1qin s GLN 58 Ca 0.01 0.59 0.05 0.00 -2.00 0.00 0.00 55.36 54.01 1qin s GLN 58 Cb 0.15 0.13 -0.00 0.00 0.80 0.00 0.00 33.01 34.09 1qin s GLN 58 CO 0.88 -0.07 -0.24 0.21 -0.50 0.00 0.00 175.29 175.57 1qin s LYS 59 N 0.86 2.84 -0.04 1.67 2.20 -1.26 -0.77 119.74 125.24 1qin s LYS 59 Ca -0.04 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1qin s LYS 59 Cb -0.04 -2.22 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1qin s LYS 59 CO -0.12 0.24 -0.16 0.00 -0.36 0.00 0.00 175.35 174.95 1qin s ASP 61 N 0.07 2.55 -0.56 0.00 1.01 -1.26 -0.32 116.67 118.16 1qin s ASP 61 Ca -0.04 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 52.85 1qin s ASP 61 Cb -0.11 -0.55 0.16 0.00 1.01 0.00 0.00 42.92 43.42 1qin s ASP 61 CO 0.02 0.22 0.39 -0.36 0.21 0.00 0.00 175.17 175.65 1qin s PHE 62 N -0.21 2.50 0.27 4.23 0.08 -0.40 -5.00 117.98 119.44 1qin s PHE 62 Ca 0.01 -2.85 -0.00 0.00 0.12 0.00 0.00 56.93 54.20 1qin s PHE 62 Cb -0.11 -2.01 0.51 0.00 -0.57 0.00 0.00 43.02 40.84 1qin s PHE 62 CO 0.02 -0.68 1.83 -1.35 -0.10 0.00 0.00 175.22 174.93 1qin h PRO 63 N 5.77 0.92 -0.71 0.24 0.11 -1.97 0.54 132.00 136.90 1qin h PRO 63 Ca 0.14 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 1qin h PRO 63 Cb 0.84 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 1qin h PRO 63 CO 0.57 0.61 0.28 0.82 -0.21 0.00 0.00 178.00 180.07 1qin h ILE 64 N 0.95 1.24 -0.05 4.15 2.04 -1.95 -2.61 117.51 121.28 1qin h ILE 64 Ca 0.47 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1qin h ILE 64 Cb 0.45 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1qin h ILE 64 CO -0.26 0.31 0.00 0.23 0.00 0.00 0.00 178.15 178.43 1qin n MET 65 N -4.29 1.94 -3.54 2.37 2.81 -0.79 -4.99 117.12 110.64 1qin n MET 65 Ca 0.06 -1.37 -0.21 0.00 -1.81 0.00 0.00 57.70 54.37 1qin n MET 65 Cb 0.18 -1.47 0.05 0.00 -0.71 0.00 0.00 33.22 31.28 1qin n MET 65 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1qin n LYS 66 N 0.66 -3.56 -3.66 0.03 5.02 0.11 -4.95 118.16 111.81 1qin n LYS 66 Ca 0.17 0.68 -0.11 0.00 -2.02 0.00 0.00 58.31 57.03 1qin n LYS 66 Cb 0.45 -5.21 -0.05 0.00 -0.02 0.00 0.00 35.03 30.20 1qin n LYS 66 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1qin s PHE 67 N -3.51 -0.18 0.14 2.13 -0.12 -1.12 -1.99 117.98 113.33 1qin s PHE 67 Ca 0.23 -0.10 0.07 0.00 -0.05 0.00 0.00 56.93 57.09 1qin s PHE 67 Cb -0.05 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.51 1qin s PHE 67 CO 0.79 -0.66 -0.15 -1.12 -0.05 0.00 0.00 175.22 174.03 1qin s SER 68 N -2.65 2.24 -0.04 1.98 0.01 -0.09 -1.28 113.70 113.87 1qin s SER 68 Ca 0.01 -0.83 0.05 0.00 1.31 0.00 0.00 55.95 56.50 1qin s SER 68 Cb 0.02 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 1qin s SER 68 CO -0.10 -0.11 -0.20 -0.76 0.41 0.00 0.00 173.24 172.48 1qin s LEU 69 N -2.54 1.99 -0.19 2.44 1.43 0.57 -0.66 118.68 121.71 1qin s LEU 69 Ca 0.12 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1qin s LEU 69 Cb -0.05 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.13 1qin s LEU 69 CO 0.04 0.21 -0.13 -0.31 0.23 0.00 0.00 176.35 176.39 1qin s TYR 70 N -0.19 2.52 -0.22 0.29 1.51 -0.25 -0.96 117.35 120.05 1qin s TYR 70 Ca 0.01 -1.60 -0.16 0.00 -1.01 0.00 0.00 57.07 54.31 1qin s TYR 70 Cb -0.11 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.00 1qin s TYR 70 CO 0.01 -0.75 0.40 -0.06 -1.11 0.00 0.00 175.55 174.04 1qin s PHE 71 N 1.36 3.34 0.11 2.71 0.40 0.05 -0.60 117.98 125.35 1qin s PHE 71 Ca 0.00 0.57 0.10 0.00 -0.60 0.00 0.00 56.93 57.01 1qin s PHE 71 Cb -0.15 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.79 1qin s PHE 71 CO -0.09 -0.07 -0.24 -0.51 0.70 0.00 0.00 175.22 175.01 1qin s LEU 72 N 1.52 2.42 0.12 -0.37 1.43 0.49 -0.86 118.68 123.43 1qin s LEU 72 Ca 0.18 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 1qin s LEU 72 Cb -0.15 -1.34 0.07 0.00 0.03 0.00 0.00 46.19 44.80 1qin s LEU 72 CO 0.08 0.20 0.79 0.00 0.23 0.00 0.00 176.35 177.65 1qin s ALA 73 N -1.03 -1.62 -1.13 4.21 0.00 -0.47 -0.63 121.76 121.08 1qin s ALA 73 Ca 0.15 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 1qin s ALA 73 Cb -0.10 0.68 0.19 0.00 0.00 0.00 0.00 23.12 23.88 1qin s ALA 73 CO 0.06 -0.85 1.30 0.71 0.00 0.00 0.00 175.76 176.99 1qin s TYR 74 N -3.48 3.59 0.05 0.00 2.02 -1.26 -0.26 117.35 118.02 1qin s TYR 74 Ca 0.06 -2.11 0.02 0.00 -0.37 0.00 0.00 57.07 54.66 1qin s TYR 74 Cb -0.02 -4.20 -0.03 0.00 -0.40 0.00 0.00 41.96 37.31 1qin s TYR 74 CO -0.05 -1.31 -0.07 -1.21 -1.57 0.00 0.00 175.55 171.34 1qin s GLU 75 N 1.18 0.59 0.02 -0.62 0.41 -1.26 -5.03 118.70 113.98 1qin s GLU 75 Ca 0.38 -0.92 -0.30 0.00 -0.41 0.00 0.00 54.97 53.71 1qin s GLU 75 Cb -0.05 -0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.07 1qin s GLU 75 CO -0.03 0.01 1.04 0.34 -0.49 0.00 0.00 175.26 176.13 1qin s ASP 76 N -2.04 7.29 0.42 -0.19 2.15 -1.26 -4.66 116.67 118.39 1qin s ASP 76 Ca -0.04 1.77 0.17 0.00 0.43 0.00 0.00 52.55 54.88 1qin s ASP 76 Cb -0.05 -2.57 1.07 0.00 -0.30 0.00 0.00 42.92 41.07 1qin s ASP 76 CO -0.02 -0.31 1.89 0.50 -0.17 0.00 0.00 175.17 177.06 1qin h LYS 77 N 6.74 0.39 0.00 4.34 3.64 -1.99 -0.53 116.57 129.17 1qin h LYS 77 Ca -0.41 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1qin h LYS 77 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1qin h LYS 77 CO 0.77 0.26 0.00 0.09 -2.27 0.00 0.00 179.45 178.30 1qin n ASN 78 N -4.49 0.19 -0.21 4.20 3.02 -1.26 -2.63 115.26 114.08 1qin n ASN 78 Ca 0.17 0.54 0.12 0.00 -0.03 0.00 0.00 54.58 55.38 1qin n ASN 78 Cb 0.62 -0.59 0.24 0.00 -0.61 0.00 0.00 39.78 39.44 1qin n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qin n ASP 79 N -1.71 1.08 -4.66 6.41 8.00 -0.21 -4.88 116.55 120.59 1qin n ASP 79 Ca 0.04 -0.87 -0.43 0.00 0.71 0.00 0.00 54.79 54.24 1qin n ASP 79 Cb 0.21 0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1qin n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qin s ILE 80 N -2.65 4.18 0.68 0.53 1.01 -1.08 -4.98 121.20 118.88 1qin s ILE 80 Ca 0.19 1.44 -0.17 0.00 0.00 0.00 0.00 60.65 62.11 1qin s ILE 80 Cb 0.18 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.74 1qin s ILE 80 CO 0.60 -0.11 1.27 -2.84 0.00 0.00 0.00 174.94 173.86 1qin s PRO 81 N 3.42 2.35 -0.02 2.79 0.02 -1.26 -4.96 135.00 137.34 1qin s PRO 81 Ca 0.57 1.98 -0.09 0.00 0.02 0.00 0.00 61.00 63.49 1qin s PRO 81 Cb -0.24 -1.83 -0.30 0.00 0.02 0.00 0.00 34.50 32.15 1qin s PRO 81 CO 0.17 -1.73 0.78 0.87 -0.33 0.00 0.00 177.00 176.77 1qin h LYS 82 N 0.22 0.36 -6.59 5.54 1.57 -1.96 -3.42 116.57 112.29 1qin h LYS 82 Ca -0.50 -0.62 -0.53 0.00 -1.87 0.00 0.00 60.65 57.14 1qin h LYS 82 Cb 1.33 0.23 0.02 0.00 0.08 0.00 0.00 32.23 33.89 1qin h LYS 82 CO 0.52 1.26 0.66 -1.21 -0.57 0.00 0.00 179.45 180.11 1qin s GLU 83 N -2.60 4.37 0.18 3.15 0.41 -1.26 -4.90 118.70 118.06 1qin s GLU 83 Ca -0.12 2.01 -0.18 0.00 -0.41 0.00 0.00 54.97 56.26 1qin s GLU 83 Cb 0.06 -3.24 0.13 0.00 -1.78 0.00 0.00 34.13 29.29 1qin s GLU 83 CO 0.87 -0.32 1.62 -0.22 -0.49 0.00 0.00 175.26 176.72 1qin h LYS 84 N 6.21 -0.11 -0.48 1.61 3.64 -1.99 0.26 116.57 125.72 1qin h LYS 84 Ca -0.43 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 58.84 1qin h LYS 84 Cb 1.21 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1qin h LYS 84 CO 0.82 -0.07 -0.18 -0.44 -2.27 0.00 0.00 179.45 177.31 1qin h ASP 85 N -0.11 0.96 -0.24 4.20 5.19 -1.99 -2.56 116.42 121.88 1qin h ASP 85 Ca 0.22 -0.34 -0.11 0.00 -0.62 0.00 0.00 57.03 56.18 1qin h ASP 85 Cb 0.46 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1qin h ASP 85 CO -0.55 1.11 -0.23 -0.33 -3.12 0.00 0.00 179.24 176.13 1qin h GLU 86 N 0.83 0.71 -0.36 3.56 5.08 -1.82 -2.74 114.58 119.84 1qin h GLU 86 Ca 0.12 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1qin h GLU 86 Cb 0.74 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1qin h GLU 86 CO 0.06 0.87 0.22 -0.22 -1.00 0.00 0.00 179.01 178.94 1qin h LYS 87 N 0.62 0.48 -0.41 2.33 3.64 -0.31 -1.35 116.57 121.57 1qin h LYS 87 Ca 0.09 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1qin h LYS 87 Cb 0.72 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1qin h LYS 87 CO 0.06 0.36 0.14 0.82 -2.27 0.00 0.00 179.45 178.55 1qin h ILE 88 N 0.46 1.21 -0.43 2.00 2.04 -1.39 -0.23 117.51 121.17 1qin h ILE 88 Ca 0.13 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1qin h ILE 88 Cb 0.00 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1qin h ILE 88 CO -0.02 0.25 0.06 0.00 0.00 0.00 0.00 178.15 178.43 1qin h ALA 89 N 0.98 1.30 -0.05 1.87 0.00 -1.42 -1.57 119.26 120.37 1qin h ALA 89 Ca 0.13 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1qin h ALA 89 Cb 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qin h ALA 89 CO -0.01 0.48 -0.35 2.35 0.00 0.00 0.00 179.25 181.73 1qin h TRP 90 N 0.64 0.45 -0.50 0.00 7.01 -1.04 -3.01 115.95 119.50 1qin h TRP 90 Ca 0.14 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 60.90 1qin h TRP 90 Cb 0.32 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 1qin h TRP 90 CO 0.01 0.96 0.21 0.00 -2.79 0.00 0.00 178.44 176.83 1qin h ALA 91 N 0.40 0.66 -0.01 2.65 0.00 -0.92 -2.47 119.26 119.57 1qin h ALA 91 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1qin h ALA 91 Cb 1.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1qin h ALA 91 CO 0.07 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1qin n LEU 92 N -4.56 0.11 -0.15 0.00 4.77 -0.60 -2.95 117.00 113.62 1qin n LEU 92 Ca 0.02 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1qin n LEU 92 Cb 0.15 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1qin n LEU 92 CO 0.38 0.02 0.51 -1.54 -1.33 0.00 0.00 177.39 175.43 1qin n SER 93 N -0.73 2.13 -4.78 -1.43 3.41 -0.95 -5.00 113.62 106.28 1qin n SER 93 Ca 0.15 -1.91 -0.37 0.00 -0.26 0.00 0.00 58.87 56.47 1qin n SER 93 Cb 0.08 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1qin n SER 93 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qin s ARG 94 N -0.92 4.60 0.57 4.33 1.81 -1.10 -5.05 118.95 123.19 1qin s ARG 94 Ca 0.05 1.32 -0.15 0.00 -1.72 0.00 0.00 55.73 55.23 1qin s ARG 94 Cb 0.03 -2.89 -0.05 0.00 -0.45 0.00 0.00 34.95 31.59 1qin s ARG 94 CO 0.04 0.33 1.02 0.15 -0.68 0.00 0.00 175.30 176.16 1qin s LYS 95 N -1.89 3.61 -1.25 3.54 1.02 -1.26 -4.43 119.74 119.07 1qin s LYS 95 Ca 0.48 1.01 -0.07 0.00 0.02 0.00 0.00 55.97 57.40 1qin s LYS 95 Cb -0.20 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.02 1qin s LYS 95 CO 0.25 -0.56 0.68 0.00 -0.92 0.00 0.00 175.35 174.80 1qin n ALA 96 N -2.03 -2.22 -2.68 5.17 0.00 -0.90 -4.96 120.51 112.88 1qin n ALA 96 Ca 0.07 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1qin n ALA 96 Cb 0.54 -2.83 -0.01 0.00 0.00 0.00 0.00 19.45 17.15 1qin n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1qin s THR 97 N -3.65 4.70 -0.18 0.00 -4.23 -0.23 -4.70 115.64 107.35 1qin s THR 97 Ca 0.19 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1qin s THR 97 Cb -0.06 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1qin s THR 97 CO 0.84 -0.31 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.25 1qin s LEU 98 N -4.16 2.45 -0.31 4.79 2.96 0.19 -2.08 118.68 122.53 1qin s LEU 98 Ca 0.40 -0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 1qin s LEU 98 Cb -0.09 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1qin s LEU 98 CO 0.32 0.04 0.13 -0.70 -1.32 0.00 0.00 176.35 174.82 1qin s GLU 99 N 1.09 3.23 -0.23 1.98 2.12 0.01 -0.38 118.70 126.52 1qin s GLU 99 Ca -0.00 -0.78 -0.09 0.00 0.36 0.00 0.00 54.97 54.45 1qin s GLU 99 Cb -0.14 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 1qin s GLU 99 CO -0.04 -0.44 0.13 -0.51 -0.54 0.00 0.00 175.26 173.85 1qin s LEU 100 N 1.57 3.97 -0.21 2.70 1.43 0.23 -0.80 118.68 127.57 1qin s LEU 100 Ca 0.04 0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 1qin s LEU 100 Cb -0.17 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1qin s LEU 100 CO 0.05 0.08 0.11 -0.89 0.23 0.00 0.00 176.35 175.93 1qin s THR 101 N 0.95 5.04 -0.30 5.49 2.01 -0.04 -1.10 115.64 127.69 1qin s THR 101 Ca 0.06 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1qin s THR 101 Cb -0.13 -3.31 0.04 0.00 0.01 0.00 0.00 72.50 69.10 1qin s THR 101 CO 0.03 0.40 0.02 -2.28 -0.69 0.00 0.00 174.62 172.11 1qin s HIS 102 N 0.74 3.21 -0.40 4.92 2.46 0.16 -0.99 115.29 125.39 1qin s HIS 102 Ca 0.06 -1.59 -0.25 0.00 0.47 0.00 0.00 55.06 53.75 1qin s HIS 102 Cb -0.13 -2.16 0.02 0.00 -0.13 0.00 0.00 32.58 30.18 1qin s HIS 102 CO 0.02 -0.74 0.86 -0.80 -2.47 0.00 0.00 174.74 171.61 1qin s ASN 103 N 1.33 6.56 0.25 9.88 0.01 -1.26 -0.92 114.94 130.80 1qin s ASN 103 Ca -0.02 0.30 -0.30 0.00 -0.71 0.00 0.00 52.86 52.13 1qin s ASN 103 Cb -0.19 -2.43 -0.14 0.00 0.41 0.00 0.00 41.25 38.90 1qin s ASN 103 CO -0.00 -0.88 1.11 0.79 -1.51 0.00 0.00 177.10 176.61 1qin n TRP 104 N 6.76 1.43 0.00 2.20 8.01 -0.84 -2.64 117.44 132.36 1qin n TRP 104 Ca 0.05 0.66 0.00 0.00 -1.31 0.00 0.00 57.50 56.90 1qin n TRP 104 Cb 0.48 -2.29 0.00 0.00 -2.01 0.00 0.00 31.31 27.49 1qin n TRP 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qin n GLY 105 N 1.53 3.46 0.23 6.99 0.00 -1.26 -4.94 105.19 111.20 1qin n GLY 105 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1qin n GLY 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qin h THR 106 N 0.00 1.18 0.00 2.61 1.35 -1.74 -2.77 112.91 113.54 1qin h THR 106 Ca 0.00 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1qin h THR 106 Cb 0.00 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1qin h THR 106 CO 0.00 0.25 -0.01 1.05 -0.25 0.00 0.00 175.52 176.56 1qin h GLU 107 N 0.13 0.00 -0.19 4.72 9.09 -1.75 -2.38 114.58 124.21 1qin h GLU 107 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1qin h GLU 107 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1qin h GLU 107 CO 0.03 0.01 0.00 -0.25 0.05 0.00 0.00 179.01 178.85 1qin n ASP 108 N -3.14 2.70 -4.38 3.06 8.00 -1.05 -4.90 116.55 116.83 1qin n ASP 108 Ca -0.01 -1.79 -0.42 0.00 0.71 0.00 0.00 54.79 53.27 1qin n ASP 108 Cb 0.19 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 1qin n ASP 108 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qin s ASP 109 N -1.24 5.94 0.58 -2.24 -1.08 -0.90 -4.95 116.67 112.79 1qin s ASP 109 Ca 0.24 -1.16 0.34 0.00 -0.52 0.00 0.00 52.55 51.45 1qin s ASP 109 Cb 0.15 -2.10 1.81 0.00 -1.46 0.00 0.00 42.92 41.31 1qin s ASP 109 CO 0.21 -0.51 2.18 -0.33 0.52 0.00 0.00 175.17 177.25 1qin h GLU 110 N 8.58 0.00 -0.02 4.34 3.07 -1.91 -1.81 114.58 126.83 1qin h GLU 110 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1qin h GLU 110 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1qin h GLU 110 CO 0.76 0.05 -0.00 0.25 -1.40 0.00 0.00 179.01 178.67 1qin n THR 111 N -3.42 0.00 -4.19 1.13 -2.24 -1.26 -4.93 114.28 99.37 1qin n THR 111 Ca -0.02 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1qin n THR 111 Cb 0.17 0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 1qin n THR 111 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1qin s GLN 112 N -2.00 2.74 -0.04 -0.78 -0.44 -0.68 -5.11 119.66 113.34 1qin s GLN 112 Ca 0.37 -0.69 -0.29 0.00 -2.50 0.00 0.00 55.36 52.25 1qin s GLN 112 Cb 0.21 -2.65 0.11 0.00 -1.64 0.00 0.00 33.01 29.04 1qin s GLN 112 CO 0.33 0.59 0.89 -1.54 0.50 0.00 0.00 175.29 176.06 1qin s SER 113 N -1.93 -0.40 0.36 6.67 1.04 -1.26 -4.97 113.70 113.22 1qin s SER 113 Ca 0.23 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.86 1qin s SER 113 Cb -0.12 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1qin s SER 113 CO 0.15 -0.56 0.54 -0.31 0.98 0.00 0.00 173.24 174.04 1qin s TYR 114 N -2.44 3.32 -0.15 5.02 2.02 -1.26 -5.10 117.35 118.76 1qin s TYR 114 Ca 0.02 0.13 -0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1qin s TYR 114 Cb -0.01 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1qin s TYR 114 CO -0.05 -0.02 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.32 1qin s HIS 115 N -2.31 3.08 -1.86 2.71 5.65 -1.26 -4.98 115.29 116.32 1qin s HIS 115 Ca 0.43 -0.17 0.31 0.00 0.25 0.00 0.00 55.06 55.89 1qin s HIS 115 Cb -0.10 -1.96 1.74 0.00 -1.18 0.00 0.00 32.58 31.09 1qin s HIS 115 CO 0.34 0.06 2.15 0.27 -0.65 0.00 0.00 174.74 176.92 1qin n ASN 116 N 3.35 0.09 0.00 9.88 0.23 -1.26 -4.92 115.26 122.62 1qin n ASN 116 Ca -0.17 -0.78 0.00 0.00 -0.53 0.00 0.00 54.58 53.09 1qin n ASN 116 Cb 0.53 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 1qin n ASN 116 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qin n GLY 117 N 1.09 1.33 1.03 4.83 0.00 -1.26 -4.66 105.19 107.56 1qin n GLY 117 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 1qin n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qin n ASN 118 N 0.00 3.19 -4.23 1.61 3.02 -1.26 -2.23 115.26 115.36 1qin n ASN 118 Ca 0.00 -1.98 -0.15 0.00 -0.03 0.00 0.00 54.58 52.42 1qin n ASN 118 Cb 0.00 -0.12 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 1qin n ASN 118 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qin s SER 119 N -1.70 1.75 0.29 6.41 1.04 -1.26 -4.97 113.70 115.26 1qin s SER 119 Ca 0.33 -0.93 -0.29 0.00 0.48 0.00 0.00 55.95 55.54 1qin s SER 119 Cb 0.21 -0.02 -0.13 0.00 0.10 0.00 0.00 66.02 66.18 1qin s SER 119 CO 0.30 -0.28 1.25 0.47 0.98 0.00 0.00 173.24 175.96 1qin n ASP 120 N 0.11 2.34 -4.72 7.02 8.00 -1.26 -3.22 116.55 124.83 1qin n ASP 120 Ca -0.13 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.15 1qin n ASP 120 Cb 0.59 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 1qin n ASP 120 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1qin s PRO 121 N -1.31 4.49 0.60 -0.24 0.04 -1.26 -5.08 135.00 132.24 1qin s PRO 121 Ca 0.61 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 1qin s PRO 121 Cb -0.64 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 1qin s PRO 121 CO 0.58 0.05 0.99 1.03 0.04 0.00 0.00 177.00 179.68 1qin s ARG 122 N 0.79 3.47 0.00 4.56 0.52 -1.20 -4.71 118.95 122.38 1qin s ARG 122 Ca 0.43 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.22 1qin s ARG 122 Cb -0.19 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.14 1qin s ARG 122 CO 0.22 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.38 1qin n GLY 123 N -2.68 -1.33 3.73 -3.53 0.00 -0.95 -5.04 105.19 95.39 1qin n GLY 123 Ca 0.05 0.69 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 1qin n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qin n PHE 124 N 0.00 2.42 -0.03 1.61 7.35 -1.26 -4.96 117.46 122.59 1qin n PHE 124 Ca 0.00 0.49 -0.05 0.00 -0.76 0.00 0.00 57.45 57.13 1qin n PHE 124 Cb 0.00 -2.43 -0.02 0.00 0.35 0.00 0.00 39.48 37.39 1qin n PHE 124 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qin n GLY 125 N 0.70 -0.31 3.73 7.13 0.00 -1.26 -4.15 105.19 111.03 1qin n GLY 125 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 1qin n GLY 125 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qin s HIS 126 N -2.39 -0.15 0.20 1.61 -3.43 -1.26 -4.43 115.29 105.44 1qin s HIS 126 Ca -0.15 -0.14 0.06 0.00 -0.80 0.00 0.00 55.06 54.04 1qin s HIS 126 Cb 0.02 0.63 -0.04 0.00 -1.43 0.00 0.00 32.58 31.76 1qin s HIS 126 CO 0.22 -0.80 0.17 0.96 -2.00 0.00 0.00 174.74 173.29 1qin s ILE 127 N -3.28 4.49 -0.02 -5.38 -4.36 -1.15 -5.00 121.20 106.51 1qin s ILE 127 Ca 0.11 -1.22 0.03 0.00 -0.26 0.00 0.00 60.65 59.31 1qin s ILE 127 Cb -0.01 -3.36 -0.00 0.00 1.25 0.00 0.00 42.46 40.34 1qin s ILE 127 CO 0.01 -0.22 -0.09 -0.83 0.24 0.00 0.00 174.94 174.05 1qin s GLY 128 N -3.45 0.50 -0.18 6.27 0.00 -1.26 -1.07 107.32 108.13 1qin s GLY 128 Ca 0.32 -0.38 -0.04 0.00 0.00 0.00 0.00 44.72 44.61 1qin s GLY 128 CO 0.24 -0.23 -0.02 -0.42 0.00 0.00 0.00 173.10 172.67 1qin s ILE 129 N -0.05 3.95 -0.10 0.90 -1.09 0.44 -4.92 121.20 120.32 1qin s ILE 129 Ca 0.01 -0.33 -0.20 0.00 -2.23 0.00 0.00 60.65 57.90 1qin s ILE 129 Cb -0.06 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 1qin s ILE 129 CO -0.00 0.46 0.57 0.00 -1.23 0.00 0.00 174.94 174.74 1qin s ALA 130 N 0.68 3.42 0.21 9.38 0.00 -1.26 -1.70 121.76 132.48 1qin s ALA 130 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1qin s ALA 130 Cb -0.14 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 1qin s ALA 130 CO 0.02 -0.05 -0.09 0.14 0.00 0.00 0.00 175.76 175.78 1qin s VAL 131 N 0.72 1.46 0.36 0.00 -7.23 -0.03 -4.93 120.40 110.74 1qin s VAL 131 Ca 0.31 -2.13 0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1qin s VAL 131 Cb -0.16 -2.12 0.10 0.00 0.56 0.00 0.00 36.38 34.76 1qin s VAL 131 CO 0.14 -0.53 1.82 -0.65 -0.31 0.00 0.00 175.10 175.57 1qin h PRO 132 N 2.55 0.15 -1.63 4.82 0.11 -1.97 -3.39 132.00 132.64 1qin h PRO 132 Ca -0.38 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1qin h PRO 132 Cb 1.22 -0.01 -0.27 0.00 0.11 0.00 0.00 31.00 32.05 1qin h PRO 132 CO 0.64 0.44 -0.41 0.34 -0.21 0.00 0.00 178.00 178.80 1qin s ASP 133 N -6.90 -0.30 0.18 -2.05 -1.08 -1.26 -4.99 116.67 100.26 1qin s ASP 133 Ca -0.04 0.47 -0.13 0.00 -0.52 0.00 0.00 52.55 52.33 1qin s ASP 133 Cb 0.14 1.47 0.08 0.00 -1.46 0.00 0.00 42.92 43.16 1qin s ASP 133 CO 0.74 -0.28 1.78 0.58 0.52 0.00 0.00 175.17 178.51 1qin h VAL 134 N 6.12 1.20 -0.30 1.11 2.07 -1.89 -2.26 116.25 122.30 1qin h VAL 134 Ca -0.21 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1qin h VAL 134 Cb 1.16 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1qin h VAL 134 CO 0.26 0.22 0.13 1.88 0.02 0.00 0.00 177.57 180.08 1qin h TYR 135 N 0.81 0.44 -0.14 1.57 0.05 -1.96 -0.72 116.97 117.02 1qin h TYR 135 Ca 0.21 -0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.83 1qin h TYR 135 Cb 0.06 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1qin h TYR 135 CO -0.01 0.42 -0.49 0.66 -1.05 0.00 0.00 178.16 177.69 1qin h SER 136 N 0.34 0.39 -0.58 3.88 4.64 -1.99 -1.64 113.55 118.58 1qin h SER 136 Ca 0.10 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1qin h SER 136 Cb 0.16 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1qin h SER 136 CO -0.01 0.82 0.20 0.00 -0.87 0.00 0.00 176.83 176.97 1qin h ALA 137 N 1.19 0.75 0.00 5.18 0.00 -1.25 -2.31 119.26 122.83 1qin h ALA 137 Ca 0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1qin h ALA 137 Cb 0.97 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1qin h ALA 137 CO 0.08 0.40 -0.39 0.00 0.00 0.00 0.00 179.25 179.34 1qin h LYS 139 N 0.00 0.73 -0.44 0.00 1.63 -1.02 -0.22 116.57 117.25 1qin h LYS 139 Ca -0.00 -0.20 -0.05 0.00 -0.85 0.00 0.00 60.65 59.54 1qin h LYS 139 Cb 0.87 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.40 1qin h LYS 139 CO 0.05 0.77 0.08 -0.09 -3.45 0.00 0.00 179.45 176.81 1qin h ARG 140 N 0.58 0.72 -0.85 1.90 2.43 -1.17 -1.80 114.38 116.18 1qin h ARG 140 Ca 0.13 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1qin h ARG 140 Cb 0.40 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 1qin h ARG 140 CO 0.01 0.74 0.54 0.74 -1.51 0.00 0.00 179.97 180.49 1qin h PHE 141 N 0.58 1.00 -0.71 2.20 0.04 -1.10 -1.40 116.94 117.55 1qin h PHE 141 Ca 0.14 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.88 1qin h PHE 141 Cb 0.36 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 1qin h PHE 141 CO 0.02 0.53 0.25 0.93 -0.60 0.00 0.00 178.31 179.45 1qin h GLU 142 N 1.01 1.08 0.00 1.51 5.08 -0.83 -1.88 114.58 120.55 1qin h GLU 142 Ca 0.36 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1qin h GLU 142 Cb 0.11 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1qin h GLU 142 CO -0.15 0.91 -0.03 0.93 -1.00 0.00 0.00 179.01 179.67 1qin h GLU 143 N 1.03 0.00 -0.01 2.33 5.08 -0.43 -1.46 114.58 121.11 1qin h GLU 143 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1qin h GLU 143 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1qin h GLU 143 CO -0.01 0.03 -0.08 1.28 -1.00 0.00 0.00 179.01 179.22 1qin n LEU 144 N -4.49 1.19 0.00 1.33 4.77 -0.62 -4.95 117.00 114.23 1qin n LEU 144 Ca -0.03 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1qin n LEU 144 Cb 0.12 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1qin n LEU 144 CO 0.34 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1qin n GLY 145 N 1.22 0.52 3.77 -0.72 0.00 -0.55 -5.02 105.19 104.41 1qin n GLY 145 Ca 0.17 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 1qin n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qin s VAL 146 N -2.00 2.36 0.01 1.61 1.01 -0.75 -4.98 120.40 117.66 1qin s VAL 146 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 61.98 62.05 1qin s VAL 146 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1qin s VAL 146 CO 0.00 0.06 0.81 -0.75 0.00 0.00 0.00 175.10 175.22 1qin s LYS 147 N -2.24 4.51 -0.11 2.72 2.20 -1.26 -4.75 119.74 120.82 1qin s LYS 147 Ca 0.57 1.13 -0.05 0.00 -0.36 0.00 0.00 55.97 57.26 1qin s LYS 147 Cb -0.41 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1qin s LYS 147 CO 0.54 0.14 0.07 -0.06 -0.36 0.00 0.00 175.35 175.68 1qin s PHE 148 N 0.43 3.35 -0.13 4.03 0.40 -1.26 -1.52 117.98 123.28 1qin s PHE 148 Ca 0.42 0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 57.02 1qin s PHE 148 Cb -0.20 -1.89 -0.25 0.00 0.51 0.00 0.00 43.02 41.19 1qin s PHE 148 CO 0.23 0.53 0.32 0.28 0.70 0.00 0.00 175.22 177.29 1qin n VAL 149 N 2.28 1.75 -3.48 -0.44 0.31 0.55 -4.91 118.33 114.39 1qin n VAL 149 Ca -0.19 -0.66 -0.10 0.00 -0.01 0.00 0.00 64.34 63.39 1qin n VAL 149 Cb 0.54 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.71 1qin n VAL 149 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1qin s LYS 150 N -2.56 0.31 0.64 5.55 2.20 -0.52 -4.93 119.74 120.43 1qin s LYS 150 Ca -0.23 0.70 -0.13 0.00 -0.36 0.00 0.00 55.97 55.95 1qin s LYS 150 Cb 0.07 -0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 1qin s LYS 150 CO 0.76 -0.48 1.05 0.15 -0.36 0.00 0.00 175.35 176.46 1qin s LYS 151 N 2.55 3.21 0.28 4.03 1.02 -1.26 -0.84 119.74 128.73 1qin s LYS 151 Ca 0.07 1.03 0.02 0.00 0.02 0.00 0.00 55.97 57.11 1qin s LYS 151 Cb -0.14 -2.02 0.63 0.00 -0.52 0.00 0.00 37.83 35.78 1qin s LYS 151 CO -0.14 -0.88 1.76 -1.35 -0.92 0.00 0.00 175.35 173.81 1qin h PRO 152 N -0.12 0.62 -0.02 -1.68 0.11 -1.95 -1.02 132.00 127.94 1qin h PRO 152 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qin h PRO 152 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qin h PRO 152 CO 0.58 0.41 -0.05 -0.25 -0.21 0.00 0.00 178.00 178.48 1qin n ASP 153 N -4.86 1.72 -4.80 -2.05 8.00 -1.26 -1.05 116.55 112.25 1qin n ASP 153 Ca 0.20 -1.51 -0.23 0.00 0.71 0.00 0.00 54.79 53.97 1qin n ASP 153 Cb 0.51 0.04 0.08 0.00 -0.02 0.00 0.00 41.12 41.73 1qin n ASP 153 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1qin s ASP 154 N -2.09 4.70 0.40 -2.24 1.01 -0.39 -4.94 116.67 113.13 1qin s ASP 154 Ca 0.34 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.37 1qin s ASP 154 Cb 0.20 -0.34 0.00 0.00 1.01 0.00 0.00 42.92 43.80 1qin s ASP 154 CO 0.36 -1.59 0.00 0.61 0.21 0.00 0.00 175.17 174.76 1qin n GLY 155 N -2.65 -0.21 0.13 0.21 0.00 -1.26 -4.56 105.19 96.83 1qin n GLY 155 Ca 0.12 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1qin n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qin n LYS 156 N 0.00 0.64 -3.33 1.61 5.02 -1.26 -4.83 118.16 116.00 1qin n LYS 156 Ca 0.00 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1qin n LYS 156 Cb 0.00 -1.64 -0.09 0.00 -0.02 0.00 0.00 35.03 33.29 1qin n LYS 156 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1qin s MET 157 N -2.48 3.24 0.39 1.97 -1.94 -1.26 -5.06 119.30 114.17 1qin s MET 157 Ca -0.31 -0.63 -0.21 0.00 -1.71 0.00 0.00 55.69 52.83 1qin s MET 157 Cb 0.09 -3.92 -0.10 0.00 2.01 0.00 0.00 34.83 32.91 1qin s MET 157 CO 0.61 -0.76 0.90 0.15 -0.01 0.00 0.00 175.02 175.91 1qin s LYS 158 N 2.13 4.24 0.00 2.03 -0.14 -1.26 -3.96 119.74 122.78 1qin s LYS 158 Ca 0.12 1.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.79 1qin s LYS 158 Cb -0.17 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 1qin s LYS 158 CO 0.13 0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.19 1qin n GLY 159 N -0.39 0.55 3.28 -3.33 0.00 -0.21 -5.02 105.19 100.07 1qin n GLY 159 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1qin n GLY 159 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1qin s LEU 160 N 0.00 2.35 0.14 0.99 0.05 -1.25 -4.59 118.68 116.37 1qin s LEU 160 Ca 0.00 -0.74 0.05 0.00 0.05 0.00 0.00 54.13 53.49 1qin s LEU 160 Cb 0.00 -0.78 -0.04 0.00 -2.05 0.00 0.00 46.19 43.32 1qin s LEU 160 CO 0.00 -0.01 -0.11 0.00 -0.55 0.00 0.00 176.35 175.68 1qin s ALA 161 N -1.54 1.45 -0.10 1.48 0.00 -0.84 -3.97 121.76 118.24 1qin s ALA 161 Ca 0.08 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.59 1qin s ALA 161 Cb -0.08 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1qin s ALA 161 CO 0.04 -0.07 -0.12 -0.06 0.00 0.00 0.00 175.76 175.56 1qin s PHE 162 N -3.16 1.63 0.44 0.00 0.08 -0.02 -0.32 117.98 116.64 1qin s PHE 162 Ca 0.15 -0.74 0.07 0.00 0.12 0.00 0.00 56.93 56.54 1qin s PHE 162 Cb 0.01 -1.24 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 1qin s PHE 162 CO 0.01 -0.42 0.30 0.96 -0.10 0.00 0.00 175.22 175.97 1qin s ILE 163 N 1.12 2.28 0.10 0.64 -4.36 -0.37 -0.33 121.20 120.28 1qin s ILE 163 Ca -0.05 -1.52 0.09 0.00 -0.26 0.00 0.00 60.65 58.91 1qin s ILE 163 Cb -0.14 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.73 1qin s ILE 163 CO -0.02 0.00 -0.23 -1.10 0.24 0.00 0.00 174.94 173.82 1qin s GLN 164 N -4.07 1.32 0.59 0.37 -0.21 -0.58 -0.92 119.66 116.16 1qin s GLN 164 Ca 0.42 -1.18 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 1qin s GLN 164 Cb -0.00 -1.63 0.12 0.00 1.00 0.00 0.00 33.01 32.50 1qin s GLN 164 CO 0.24 0.39 0.81 -0.40 -2.12 0.00 0.00 175.29 174.21 1qin n ASP 165 N 1.21 1.02 0.27 5.90 5.75 -0.62 -4.54 116.55 125.54 1qin n ASP 165 Ca -0.18 -1.88 0.12 0.00 -0.01 0.00 0.00 54.79 52.84 1qin n ASP 165 Cb 0.53 -0.53 0.76 0.00 -1.03 0.00 0.00 41.12 40.86 1qin n ASP 165 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1qin h PRO 166 N 0.00 0.00 -0.00 0.11 0.11 -1.90 -0.49 132.00 129.82 1qin h PRO 166 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1qin h PRO 166 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1qin h PRO 166 CO 0.28 0.00 -0.29 -0.25 -0.21 0.00 0.00 178.00 177.53 1qin n ASP 167 N -4.22 0.65 0.00 -2.05 9.92 -1.26 -4.93 116.55 114.66 1qin n ASP 167 Ca -0.02 -0.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 1qin n ASP 167 Cb 0.11 0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1qin n ASP 167 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qin n GLY 168 N 1.40 0.57 3.77 0.44 0.00 -0.19 -4.78 105.19 106.39 1qin n GLY 168 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1qin n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qin s TYR 169 N -2.06 2.97 0.07 1.61 2.02 -1.26 -4.70 117.35 116.00 1qin s TYR 169 Ca 0.00 1.45 -0.23 0.00 -0.37 0.00 0.00 57.07 57.92 1qin s TYR 169 Cb 0.00 -3.60 -0.06 0.00 -0.40 0.00 0.00 41.96 37.89 1qin s TYR 169 CO 0.00 -1.81 0.71 -1.58 -1.57 0.00 0.00 175.55 171.30 1qin s TRP 170 N -1.25 3.78 -0.15 2.71 0.52 -1.26 -1.58 118.94 121.71 1qin s TRP 170 Ca 0.54 1.43 0.00 0.00 0.02 0.00 0.00 56.10 58.10 1qin s TRP 170 Cb -0.37 -2.72 0.03 0.00 -1.15 0.00 0.00 33.47 29.26 1qin s TRP 170 CO 0.48 0.40 -0.11 0.42 0.02 0.00 0.00 176.95 178.15 1qin s ILE 171 N -0.52 1.42 0.20 2.03 1.01 -0.09 -2.92 121.20 122.32 1qin s ILE 171 Ca 0.35 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 60.13 1qin s ILE 171 Cb -0.21 -1.41 -0.08 0.00 0.01 0.00 0.00 42.46 40.77 1qin s ILE 171 CO 0.22 0.35 0.78 -0.70 0.00 0.00 0.00 174.94 175.59 1qin s GLU 172 N 1.53 4.49 -0.24 2.79 2.12 -0.23 -1.24 118.70 127.93 1qin s GLU 172 Ca 0.03 1.10 -0.01 0.00 0.36 0.00 0.00 54.97 56.45 1qin s GLU 172 Cb -0.14 -3.12 0.03 0.00 0.26 0.00 0.00 34.13 31.16 1qin s GLU 172 CO -0.09 0.50 -0.09 0.42 -0.54 0.00 0.00 175.26 175.46 1qin s ILE 173 N -1.29 2.71 0.04 -3.70 -1.09 0.57 -0.42 121.20 118.01 1qin s ILE 173 Ca 0.39 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.79 1qin s ILE 173 Cb -0.21 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 1qin s ILE 173 CO 0.25 0.25 -0.05 -1.48 -1.23 0.00 0.00 174.94 172.68 1qin s LEU 174 N 1.31 2.30 -0.28 2.97 2.34 -0.69 -1.98 118.68 124.65 1qin s LEU 174 Ca 0.01 -0.62 -0.00 0.00 0.06 0.00 0.00 54.13 53.58 1qin s LEU 174 Cb -0.16 0.03 0.05 0.00 -0.56 0.00 0.00 46.19 45.55 1qin s LEU 174 CO -0.06 -0.32 -0.04 0.21 -1.06 0.00 0.00 176.35 175.08 1qin s ASN 175 N -1.80 4.69 0.47 1.48 2.47 -1.26 -0.85 114.94 120.14 1qin s ASN 175 Ca -0.09 -1.26 0.15 0.00 0.42 0.00 0.00 52.86 52.08 1qin s ASN 175 Cb -0.07 -1.66 1.13 0.00 -1.45 0.00 0.00 41.25 39.21 1qin s ASN 175 CO -0.02 -0.22 2.04 -0.65 -3.72 0.00 0.00 177.10 174.53 1qin h PRO 176 N 7.93 0.24 -0.06 0.43 0.11 -1.95 -1.93 132.00 136.77 1qin h PRO 176 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1qin h PRO 176 Cb 1.06 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1qin h PRO 176 CO 0.52 0.16 0.00 0.09 -0.21 0.00 0.00 178.00 178.56 1qin n ASN 177 N -4.47 0.43 -0.05 -2.05 3.02 -1.26 -3.54 115.26 107.33 1qin n ASN 177 Ca 0.05 -1.75 0.02 0.00 -0.03 0.00 0.00 54.58 52.87 1qin n ASN 177 Cb 0.29 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.44 1qin n ASN 177 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qin n LYS 178 N -0.38 1.79 0.07 3.52 4.76 -0.73 -4.78 118.16 122.42 1qin n LYS 178 Ca 0.09 -1.44 0.12 0.00 -2.87 0.00 0.00 58.31 54.20 1qin n LYS 178 Cb 0.10 -0.94 0.13 0.00 -1.84 0.00 0.00 35.03 32.47 1qin n LYS 178 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1qin h MET 179 N 0.00 0.00 0.00 1.97 2.86 -1.60 -3.40 114.93 114.76 1qin h MET 179 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qin h MET 179 Cb 0.77 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1qin h MET 179 CO 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 177.97 1qin h ALA 180 N 2.39 1.27 -0.02 6.32 0.00 -1.86 -2.38 119.26 124.98 1qin h ALA 180 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qin h ALA 180 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qin h ALA 180 CO 0.00 0.00 -0.03 0.25 0.00 0.00 0.00 179.25 179.47 1qin n THR 181 N -3.48 0.00 0.52 0.00 -2.24 -1.26 -4.07 114.28 103.75 1qin n THR 181 Ca -0.03 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1qin n THR 181 Cb 0.08 0.75 0.41 0.00 -2.10 0.00 0.00 70.33 69.47 1qin n THR 181 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1qin h LEU 182 N 2.83 0.00 -1.48 3.22 3.38 -1.72 -3.53 115.31 118.02 1qin h LEU 182 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qin h LEU 182 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1qin h LEU 182 CO 0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76