#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvn h SER 5 N 0.00 0.00 0.03 4.04 4.64 -2.06 -1.99 113.55 118.21 1qvn h SER 5 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1qvn h SER 5 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1qvn h SER 5 CO 0.00 0.25 -0.84 -1.28 -0.87 0.00 0.00 176.83 174.09 1qvn h SER 6 N 0.00 0.69 0.33 4.97 0.87 -2.06 -3.10 113.55 115.26 1qvn h SER 6 Ca -0.00 -0.78 -0.17 0.00 -1.23 0.00 0.00 61.79 59.61 1qvn h SER 6 Cb 0.76 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1qvn h SER 6 CO 0.03 1.39 -0.68 0.74 -0.53 0.00 0.00 176.83 177.78 1qvn h THR 7 N 0.08 1.39 -0.57 2.23 2.02 -1.98 -2.83 112.91 113.26 1qvn h THR 7 Ca -0.11 -2.11 -0.05 0.00 0.77 0.00 0.00 66.41 64.91 1qvn h THR 7 Cb 1.54 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 70.01 1qvn h THR 7 CO 0.16 0.63 0.16 0.50 0.37 0.00 0.00 175.52 177.34 1qvn h LYS 8 N 0.22 0.89 -0.57 6.66 1.63 -1.47 -0.92 116.57 123.01 1qvn h LYS 8 Ca -0.02 -0.20 -0.03 0.00 -0.85 0.00 0.00 60.65 59.55 1qvn h LYS 8 Cb 1.23 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.71 1qvn h LYS 8 CO 0.11 0.82 0.23 -0.22 -3.45 0.00 0.00 179.45 176.93 1qvn h LYS 9 N 0.80 0.86 -0.68 1.90 1.63 -1.54 -1.56 116.57 117.98 1qvn h LYS 9 Ca 0.18 -0.16 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1qvn h LYS 9 Cb 0.31 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1qvn h LYS 9 CO -0.00 0.74 0.32 1.15 -3.45 0.00 0.00 179.45 178.21 1qvn h THR 10 N 0.79 1.23 -0.05 1.00 2.02 -1.34 -1.72 112.91 114.84 1qvn h THR 10 Ca 0.19 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1qvn h THR 10 Cb 0.20 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1qvn h THR 10 CO -0.02 0.27 0.03 -0.61 0.37 0.00 0.00 175.52 175.56 1qvn h GLN 11 N 0.94 0.07 -0.72 6.66 4.15 -0.97 -1.05 115.11 124.19 1qvn h GLN 11 Ca 0.23 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 1qvn h GLN 11 Cb 0.12 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1qvn h GLN 11 CO -0.03 0.14 0.36 -0.07 -1.93 0.00 0.00 178.83 177.30 1qvn h LEU 12 N -0.02 0.94 -0.67 -2.39 3.38 -1.20 0.02 115.31 115.37 1qvn h LEU 12 Ca 0.02 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1qvn h LEU 12 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1qvn h LEU 12 CO -0.00 0.80 -0.34 -0.61 0.09 0.00 0.00 178.44 178.37 1qvn h GLN 13 N 1.01 0.65 -0.33 1.13 5.75 -1.26 -0.98 115.11 121.08 1qvn h GLN 13 Ca 0.25 -0.31 -0.12 0.00 -0.15 0.00 0.00 58.65 58.32 1qvn h GLN 13 Cb 0.10 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1qvn h GLN 13 CO -0.03 0.90 -0.28 -0.07 -2.65 0.00 0.00 178.83 176.70 1qvn h LEU 14 N 0.55 0.71 -1.16 -2.39 3.38 -0.94 -2.24 115.31 113.22 1qvn h LEU 14 Ca 0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1qvn h LEU 14 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1qvn h LEU 14 CO 0.07 0.95 -0.29 -0.33 0.09 0.00 0.00 178.44 178.94 1qvn h GLU 15 N 0.59 0.00 -0.04 1.13 5.08 -0.77 -2.07 114.58 118.50 1qvn h GLU 15 Ca 0.07 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1qvn h GLU 15 Cb 0.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1qvn h GLU 15 CO 0.06 0.29 -0.77 1.25 -1.00 0.00 0.00 179.01 178.84 1qvn h HIS 16 N 0.00 0.85 -0.56 4.33 2.76 -0.96 -2.10 115.15 119.48 1qvn h HIS 16 Ca -0.00 -0.44 -0.05 0.00 -2.20 0.00 0.00 60.37 57.68 1qvn h HIS 16 Cb 0.75 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1qvn h HIS 16 CO 0.00 1.26 0.16 1.25 -1.30 0.00 0.00 177.93 179.30 1qvn h LEU 17 N 0.20 0.83 -0.78 0.26 5.85 -1.34 -1.42 115.31 118.92 1qvn h LEU 17 Ca -0.09 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1qvn h LEU 17 Cb 1.44 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1qvn h LEU 17 CO 0.15 0.83 0.48 0.25 -0.34 0.00 0.00 178.44 179.81 1qvn h LEU 18 N 0.79 0.77 -0.46 2.25 5.85 -1.42 -1.93 115.31 121.17 1qvn h LEU 18 Ca 0.18 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1qvn h LEU 18 Cb 0.30 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1qvn h LEU 18 CO -0.00 0.52 -0.13 0.25 -0.34 0.00 0.00 178.44 178.73 1qvn h LEU 19 N 0.91 0.91 -0.32 2.25 6.46 -1.11 -1.99 115.31 122.43 1qvn h LEU 19 Ca 0.33 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1qvn h LEU 19 Cb 0.09 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1qvn h LEU 19 CO -0.14 1.08 0.17 0.44 -0.62 0.00 0.00 178.44 179.36 1qvn h ASP 20 N 0.74 0.41 -0.21 1.25 3.32 -0.99 0.63 116.42 121.57 1qvn h ASP 20 Ca 0.11 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1qvn h ASP 20 Cb 0.69 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1qvn h ASP 20 CO 0.05 0.39 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.79 1qvn h LEU 21 N 0.39 0.57 -0.79 1.55 3.38 -1.36 -2.23 115.31 116.82 1qvn h LEU 21 Ca 0.11 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1qvn h LEU 21 Cb 0.08 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1qvn h LEU 21 CO -0.02 0.71 -0.60 1.56 0.09 0.00 0.00 178.44 180.18 1qvn h GLN 22 N 0.54 0.00 -0.11 1.13 4.20 -1.05 -1.39 115.11 118.44 1qvn h GLN 22 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1qvn h GLN 22 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1qvn h GLN 22 CO 0.03 0.60 -0.01 1.98 -0.67 0.00 0.00 178.83 180.76 1qvn h MET 23 N 0.00 0.20 -0.37 1.46 4.05 -0.56 -1.79 114.93 117.92 1qvn h MET 23 Ca -0.01 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1qvn h MET 23 Cb 1.07 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.84 1qvn h MET 23 CO 0.08 0.47 0.21 0.82 0.23 0.00 0.00 176.91 178.72 1qvn h ILE 24 N -0.09 1.14 -0.65 1.77 2.04 -1.36 -2.12 117.51 118.24 1qvn h ILE 24 Ca 0.03 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1qvn h ILE 24 Cb 0.39 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1qvn h ILE 24 CO 0.01 0.14 0.43 0.25 0.00 0.00 0.00 178.15 178.98 1qvn h LEU 25 N 0.48 0.73 -1.06 1.44 5.85 -1.26 -0.94 115.31 120.55 1qvn h LEU 25 Ca 0.13 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1qvn h LEU 25 Cb 0.05 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1qvn h LEU 25 CO -0.02 0.52 -0.18 -1.13 -0.34 0.00 0.00 178.44 177.29 1qvn h ASN 26 N 0.86 0.45 -0.16 1.25 -1.24 -1.02 -2.09 115.58 113.63 1qvn h ASN 26 Ca 0.24 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 1qvn h ASN 26 Cb -0.06 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 1qvn h ASN 26 CO -0.06 0.65 0.03 1.23 -1.29 0.00 0.00 177.43 177.99 1qvn h GLY 27 N 0.96 0.29 0.95 1.57 0.00 -0.54 -2.85 103.07 103.45 1qvn h GLY 27 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1qvn h GLY 27 CO 0.04 0.18 0.06 -2.22 0.00 0.00 0.00 176.54 174.59 1qvn h ILE 28 N 0.05 1.25 0.00 2.60 2.04 -1.19 -2.86 117.51 119.40 1qvn h ILE 28 Ca 0.05 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1qvn h ILE 28 Cb 0.30 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1qvn h ILE 28 CO 0.00 0.31 -0.00 0.78 0.00 0.00 0.00 178.15 179.24 1qvn h ASN 29 N 0.56 0.00 0.86 1.72 2.35 -1.45 -2.64 115.58 116.99 1qvn h ASN 29 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1qvn h ASN 29 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1qvn h ASN 29 CO 0.01 0.00 -0.17 0.59 -1.65 0.00 0.00 177.43 176.21 1qvn n ASN 30 N -3.10 0.21 -4.76 5.81 3.02 -1.08 -4.90 115.26 110.47 1qvn n ASN 30 Ca -0.00 0.26 -0.32 0.00 -0.03 0.00 0.00 54.58 54.49 1qvn n ASN 30 Cb 0.26 -0.26 0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1qvn n ASN 30 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qvn s TYR 31 N -3.01 2.46 0.57 3.10 2.02 -1.00 -5.02 117.35 116.47 1qvn s TYR 31 Ca 0.13 1.58 -0.18 0.00 -0.37 0.00 0.00 57.07 58.23 1qvn s TYR 31 Cb 0.18 -3.16 -0.05 0.00 -0.40 0.00 0.00 41.96 38.53 1qvn s TYR 31 CO 0.59 -1.92 1.09 0.15 -1.57 0.00 0.00 175.55 173.89 1qvn s LYS 32 N -4.47 3.31 0.22 -0.62 1.02 -1.26 -4.74 119.74 113.20 1qvn s LYS 32 Ca 0.65 1.43 -0.12 0.00 0.02 0.00 0.00 55.97 57.94 1qvn s LYS 32 Cb -0.20 -2.02 0.28 0.00 -0.52 0.00 0.00 37.83 35.37 1qvn s LYS 32 CO 0.50 -0.84 1.62 -0.91 -0.92 0.00 0.00 175.35 174.80 1qvn h ASN 33 N 0.85 -0.57 -0.15 2.83 2.35 -1.98 0.21 115.58 119.12 1qvn h ASN 33 Ca -0.49 0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1qvn h ASN 33 Cb 1.24 0.40 -0.02 0.00 0.05 0.00 0.00 38.32 39.99 1qvn h ASN 33 CO 0.57 -0.21 -0.04 -0.65 -1.65 0.00 0.00 177.43 175.44 1qvn h PRO 34 N 0.02 0.44 -0.21 0.81 0.11 -2.00 -1.68 132.00 129.49 1qvn h PRO 34 Ca 0.33 -0.10 -0.21 0.00 0.11 0.00 0.00 66.00 66.13 1qvn h PRO 34 Cb 0.52 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.57 1qvn h PRO 34 CO -0.67 0.50 -0.69 -0.22 -0.21 0.00 0.00 178.00 176.71 1qvn h LYS 35 N 0.42 0.83 -0.46 1.05 3.64 -1.48 -3.17 116.57 117.39 1qvn h LYS 35 Ca 0.09 -0.62 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 1qvn h LYS 35 Cb 0.35 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1qvn h LYS 35 CO 0.01 1.24 0.19 1.25 -2.27 0.00 0.00 179.45 179.87 1qvn h LEU 36 N 0.60 0.59 -0.49 5.20 5.85 -0.49 -2.41 115.31 124.16 1qvn h LEU 36 Ca -0.03 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1qvn h LEU 36 Cb 1.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1qvn h LEU 36 CO 0.15 0.53 0.30 0.74 -0.34 0.00 0.00 178.44 179.82 1qvn h THR 37 N 0.65 1.06 0.00 1.05 2.02 -1.28 -1.15 112.91 115.27 1qvn h THR 37 Ca 0.16 -0.21 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 1qvn h THR 37 Cb 0.12 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1qvn h THR 37 CO -0.02 0.11 -0.67 0.03 0.37 0.00 0.00 175.52 175.34 1qvn h ARG 38 N 0.60 0.00 -0.30 6.66 2.47 -1.56 -3.09 114.38 119.16 1qvn h ARG 38 Ca 0.20 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.82 1qvn h ARG 38 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1qvn h ARG 38 CO -0.08 0.67 -0.23 1.98 0.56 0.00 0.00 179.97 182.87 1qvn h MET 39 N 0.00 0.58 0.00 0.04 4.05 -1.10 -3.11 114.93 115.38 1qvn h MET 39 Ca -0.01 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1qvn h MET 39 Cb 1.33 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1qvn h MET 39 CO 0.09 0.77 0.00 1.28 0.23 0.00 0.00 176.91 179.27 1qvn n LEU 40 N -4.12 0.00 0.13 3.39 4.77 -0.46 -2.82 117.00 117.89 1qvn n LEU 40 Ca -0.00 0.41 0.12 0.00 -0.03 0.00 0.00 56.01 56.51 1qvn n LEU 40 Cb 0.41 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1qvn n LEU 40 CO 0.43 -0.11 0.20 0.71 -1.33 0.00 0.00 177.39 177.28 1qvn h THR 41 N 0.00 0.00 -2.77 -5.08 1.35 -1.59 -3.44 112.91 101.39 1qvn h THR 41 Ca 0.00 -1.01 -0.57 0.00 -0.55 0.00 0.00 66.41 64.28 1qvn h THR 41 Cb 0.30 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1qvn h THR 41 CO 0.00 0.00 1.18 0.12 -0.25 0.00 0.00 175.52 176.57 1qvn s PHE 42 N -3.33 2.02 -0.08 4.73 2.19 -1.13 -4.98 117.98 117.40 1qvn s PHE 42 Ca 0.01 0.57 -0.08 0.00 0.33 0.00 0.00 56.93 57.76 1qvn s PHE 42 Cb 0.09 -4.07 -0.04 0.00 -1.31 0.00 0.00 43.02 37.69 1qvn s PHE 42 CO 0.76 -2.89 0.21 0.15 1.83 0.00 0.00 175.22 175.28 1qvn s LYS 43 N 5.04 3.55 0.24 10.12 -0.14 -1.26 -3.85 119.74 133.44 1qvn s LYS 43 Ca 0.74 -0.02 0.12 0.00 -1.36 0.00 0.00 55.97 55.44 1qvn s LYS 43 Cb -0.23 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.68 1qvn s LYS 43 CO 0.31 0.75 -0.21 -0.06 -0.76 0.00 0.00 175.35 175.38 1qvn s PHE 44 N -1.07 2.32 -0.07 3.18 0.08 0.14 -4.93 117.98 117.63 1qvn s PHE 44 Ca 0.18 -0.33 -0.18 0.00 0.12 0.00 0.00 56.93 56.72 1qvn s PHE 44 Cb -0.13 -1.08 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 1qvn s PHE 44 CO 0.07 0.61 0.48 0.71 -0.10 0.00 0.00 175.22 176.99 1qvn s TYR 45 N -2.10 3.60 0.08 0.36 2.02 -1.26 -1.76 117.35 118.28 1qvn s TYR 45 Ca 0.26 0.97 0.04 0.00 -0.37 0.00 0.00 57.07 57.97 1qvn s TYR 45 Cb -0.06 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.96 1qvn s TYR 45 CO 0.13 0.32 -0.00 -1.64 -1.57 0.00 0.00 175.55 172.79 1qvn s MET 46 N 0.04 2.58 0.30 -0.62 -1.94 -1.26 -4.99 119.30 113.41 1qvn s MET 46 Ca 0.26 -0.80 -0.28 0.00 -1.71 0.00 0.00 55.69 53.16 1qvn s MET 46 Cb -0.16 -2.56 -0.09 0.00 2.01 0.00 0.00 34.83 34.03 1qvn s MET 46 CO 0.12 0.55 0.98 -1.25 -0.01 0.00 0.00 175.02 175.41 1qvn s PRO 47 N -2.19 4.64 -0.00 2.03 0.04 -1.26 -1.50 135.00 136.76 1qvn s PRO 47 Ca 0.25 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.62 1qvn s PRO 47 Cb -0.12 -2.99 -0.34 0.00 0.04 0.00 0.00 34.50 31.09 1qvn s PRO 47 CO 0.17 0.31 0.86 0.87 0.04 0.00 0.00 177.00 179.25 1qvn h LYS 48 N 3.53 0.49 -4.67 4.56 1.57 -1.78 -3.42 116.57 116.86 1qvn h LYS 48 Ca -0.46 -0.83 -0.61 0.00 -1.87 0.00 0.00 60.65 56.88 1qvn h LYS 48 Cb 1.20 0.31 -0.36 0.00 0.08 0.00 0.00 32.23 33.46 1qvn h LYS 48 CO 0.66 1.40 -0.83 0.21 -0.57 0.00 0.00 179.45 180.32 1qvn s LYS 49 N -2.59 2.27 -0.39 3.15 2.47 -1.26 -5.01 119.74 118.38 1qvn s LYS 49 Ca -0.12 -0.64 0.01 0.00 -1.56 0.00 0.00 55.97 53.66 1qvn s LYS 49 Cb 0.05 -2.21 0.15 0.00 -1.46 0.00 0.00 37.83 34.36 1qvn s LYS 49 CO 0.91 -0.28 0.25 0.00 0.16 0.00 0.00 175.35 176.39 1qvn s ALA 50 N 1.45 1.26 0.00 3.13 0.00 -1.26 -4.90 121.76 121.45 1qvn s ALA 50 Ca 0.04 -2.14 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1qvn s ALA 50 Cb -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.34 1qvn s ALA 50 CO -0.10 -2.07 0.00 0.25 0.00 0.00 0.00 175.76 173.84 1qvn n THR 51 N 3.63 0.00 -4.48 0.00 -2.24 -1.26 -4.97 114.28 104.96 1qvn n THR 51 Ca 0.16 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.68 1qvn n THR 51 Cb 0.39 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 1qvn n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qvn s GLU 52 N -1.05 1.93 0.47 -0.78 2.02 -1.26 -4.97 118.70 115.05 1qvn s GLU 52 Ca 0.00 -1.91 0.19 0.00 0.02 0.00 0.00 54.97 53.27 1qvn s GLU 52 Cb 0.00 -1.77 1.13 0.00 0.10 0.00 0.00 34.13 33.59 1qvn s GLU 52 CO 0.00 0.09 2.00 -0.07 0.02 0.00 0.00 175.26 177.31 1qvn h LEU 53 N 1.89 0.00 -0.33 1.80 3.38 -1.98 -2.47 115.31 117.60 1qvn h LEU 53 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1qvn h LEU 53 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1qvn h LEU 53 CO 0.71 0.18 0.00 2.29 0.09 0.00 0.00 178.44 181.71 1qvn n LYS 54 N -4.07 0.15 0.00 1.13 2.85 -1.26 -2.66 118.16 114.30 1qvn n LYS 54 Ca -0.02 0.30 0.15 0.00 -1.05 0.00 0.00 58.31 57.69 1qvn n LYS 54 Cb 0.26 -1.75 0.83 0.00 -0.65 0.00 0.00 35.03 33.73 1qvn n LYS 54 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qvn n HIS 55 N -2.02 0.00 0.56 5.58 8.25 -0.93 -3.62 115.22 123.03 1qvn n HIS 55 Ca 0.04 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.56 1qvn n HIS 55 Cb 0.27 -0.16 0.30 0.00 1.12 0.00 0.00 29.99 31.53 1qvn n HIS 55 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1qvn n LEU 56 N -1.14 0.00 0.24 2.41 4.77 -1.09 -2.47 117.00 119.73 1qvn n LEU 56 Ca 0.18 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.60 1qvn n LEU 56 Cb 0.19 -0.33 0.58 0.00 -2.33 0.00 0.00 43.42 41.53 1qvn n LEU 56 CO 0.21 -0.19 0.87 1.56 -1.33 0.00 0.00 177.39 178.51 1qvn h GLN 57 N 0.00 0.00 0.00 3.23 4.20 -1.84 -0.87 115.11 119.84 1qvn h GLN 57 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1qvn h GLN 57 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1qvn h GLN 57 CO 0.00 0.19 -0.19 0.00 -0.67 0.00 0.00 178.83 178.16 1qvn h LEU 59 N 0.00 0.54 -0.53 0.00 5.85 -1.55 -3.33 115.31 116.29 1qvn h LEU 59 Ca -0.00 -0.92 0.05 0.00 0.84 0.00 0.00 57.88 57.85 1qvn h LEU 59 Cb 0.73 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1qvn h LEU 59 CO 0.02 1.57 0.25 -0.08 -0.34 0.00 0.00 178.44 179.87 1qvn h GLU 60 N -0.19 0.47 0.00 1.25 4.81 -0.98 -1.74 114.58 118.21 1qvn h GLU 60 Ca -0.24 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 1qvn h GLU 60 Cb 1.84 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 1qvn h GLU 60 CO 0.16 0.31 -0.32 0.93 -0.73 0.00 0.00 179.01 179.36 1qvn h GLU 61 N 0.49 0.00 -0.28 1.92 5.08 -1.53 -2.81 114.58 117.44 1qvn h GLU 61 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1qvn h GLU 61 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1qvn h GLU 61 CO -0.18 0.32 0.00 0.39 -1.00 0.00 0.00 179.01 178.54 1qvn n GLU 62 N -4.15 1.91 0.10 2.33 -0.58 -0.71 -4.24 120.64 115.30 1qvn n GLU 62 Ca -0.02 -1.39 -0.04 0.00 -0.42 0.00 0.00 57.16 55.29 1qvn n GLU 62 Cb 0.36 -1.38 0.13 0.00 -0.57 0.00 0.00 31.44 29.98 1qvn n GLU 62 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1qvn h LEU 63 N 2.58 0.17 -0.06 -4.62 3.38 -1.13 -2.71 115.31 112.92 1qvn h LEU 63 Ca 0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1qvn h LEU 63 Cb 0.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1qvn h LEU 63 CO 0.00 0.76 -0.16 0.11 0.09 0.00 0.00 178.44 179.23 1qvn h LYS 64 N 0.11 0.21 -0.92 1.13 1.79 -1.79 -2.23 116.57 114.87 1qvn h LYS 64 Ca -0.01 -0.15 0.23 0.00 -2.18 0.00 0.00 60.65 58.54 1qvn h LYS 64 Cb 1.13 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.75 1qvn h LYS 64 CO 0.09 0.76 0.62 -1.35 -1.08 0.00 0.00 179.45 178.50 1qvn h PRO 65 N -0.30 0.28 -0.48 3.15 0.11 -1.83 -0.69 132.00 132.25 1qvn h PRO 65 Ca -0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 1qvn h PRO 65 Cb 0.77 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1qvn h PRO 65 CO 0.04 0.19 -0.10 1.25 -0.21 0.00 0.00 178.00 179.16 1qvn h LEU 66 N 0.29 0.91 -0.94 2.35 5.85 -1.29 -2.10 115.31 120.37 1qvn h LEU 66 Ca 0.47 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1qvn h LEU 66 Cb 1.37 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1qvn h LEU 66 CO -0.14 1.05 0.05 -0.08 -0.34 0.00 0.00 178.44 178.98 1qvn h GLU 67 N 0.76 0.83 -0.24 1.25 4.81 -0.69 -2.14 114.58 119.15 1qvn h GLU 67 Ca 0.12 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 1qvn h GLU 67 Cb 0.65 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1qvn h GLU 67 CO 0.04 0.80 -0.23 0.93 -0.73 0.00 0.00 179.01 179.83 1qvn h GLU 68 N 0.78 0.44 -0.14 1.92 5.08 -1.02 -1.37 114.58 120.28 1qvn h GLU 68 Ca 0.16 -0.16 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1qvn h GLU 68 Cb 0.40 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1qvn h GLU 68 CO 0.01 0.65 -0.75 0.00 -1.00 0.00 0.00 179.01 177.92 1qvn h ALA 69 N 1.37 0.28 0.00 3.43 0.00 -1.14 -3.04 119.26 120.15 1qvn h ALA 69 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1qvn h ALA 69 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1qvn h ALA 69 CO 0.04 0.63 0.00 -0.07 0.00 0.00 0.00 179.25 179.85 1qvn h LEU 70 N 0.46 0.00 -0.32 0.00 3.38 -1.30 -2.76 115.31 114.77 1qvn h LEU 70 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1qvn h LEU 70 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1qvn h LEU 70 CO 0.15 0.00 -0.85 0.78 0.09 0.00 0.00 178.44 178.61 1qvn h ASN 71 N 0.00 0.14 0.23 -0.43 -0.26 -1.23 -1.78 115.58 112.25 1qvn h ASN 71 Ca 0.00 -0.12 -0.15 0.00 -0.56 0.00 0.00 56.30 55.47 1qvn h ASN 71 Cb 0.70 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.91 1qvn h ASN 71 CO 0.00 0.92 -0.59 -0.07 -1.06 0.00 0.00 177.43 176.64 1qvn h LEU 72 N 0.06 0.41 -1.23 1.61 3.38 -1.39 -3.16 115.31 114.99 1qvn h LEU 72 Ca -0.03 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1qvn h LEU 72 Cb 1.48 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1qvn h LEU 72 CO 0.12 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.55 1qvn n ALA 73 N -2.49 2.54 -1.10 1.53 0.00 -1.06 -5.13 120.51 114.79 1qvn n ALA 73 Ca -0.03 -0.53 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 1qvn n ALA 73 Cb 0.61 -1.07 0.18 0.00 0.00 0.00 0.00 19.45 19.17 1qvn n ALA 73 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1qvn s GLN 74 N -1.92 0.26 -0.17 0.00 0.00 -0.67 -5.05 119.66 112.10 1qvn s GLN 74 Ca 0.35 0.54 -0.05 0.00 -0.00 0.00 0.00 55.36 56.20 1qvn s GLN 74 Cb 0.20 -1.72 -0.03 0.00 0.00 0.00 0.00 33.01 31.46 1qvn s GLN 74 CO 0.31 -2.85 0.01 0.50 0.00 0.00 0.00 175.29 173.26 1qvn s ARG 81 N -4.92 3.79 0.48 9.60 3.00 -1.26 -5.11 118.95 124.54 1qvn s ARG 81 Ca 0.66 -0.45 0.23 0.00 -1.00 0.00 0.00 55.73 55.17 1qvn s ARG 81 Cb -0.19 -3.06 1.22 0.00 0.00 0.00 0.00 34.95 32.92 1qvn s ARG 81 CO 0.58 0.22 1.99 -1.35 0.00 0.00 0.00 175.30 176.75 1qvn h PRO 82 N 6.81 0.00 -0.34 5.12 0.11 -1.95 -1.83 132.00 139.93 1qvn h PRO 82 Ca -0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.65 1qvn h PRO 82 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1qvn h PRO 82 CO 0.66 0.18 -0.29 -0.09 -0.21 0.00 0.00 178.00 178.24 1qvn h ARG 83 N 0.00 0.71 0.11 1.05 2.43 -1.99 -2.78 114.38 113.90 1qvn h ARG 83 Ca -0.00 -0.31 -0.31 0.00 -0.81 0.00 0.00 59.98 58.54 1qvn h ARG 83 Cb 0.44 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1qvn h ARG 83 CO 0.02 0.92 -1.60 -0.44 -1.51 0.00 0.00 179.97 177.37 1qvn h ASP 84 N 0.61 0.35 -0.23 -3.80 3.32 -1.92 -3.17 116.42 111.58 1qvn h ASP 84 Ca 0.07 -0.53 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 1qvn h ASP 84 Cb 0.81 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1qvn h ASP 84 CO 0.07 1.45 -0.12 0.25 -1.72 0.00 0.00 179.24 179.16 1qvn h LEU 85 N 0.06 0.51 -0.72 1.55 5.85 -1.41 -0.37 115.31 120.78 1qvn h LEU 85 Ca -0.26 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 57.93 1qvn h LEU 85 Cb 2.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 1qvn h LEU 85 CO 0.15 0.81 -0.17 0.40 -0.34 0.00 0.00 178.44 179.29 1qvn h ILE 86 N 0.21 1.27 -0.78 4.05 1.08 -1.67 -0.74 117.51 120.92 1qvn h ILE 86 Ca 0.05 -1.26 0.01 0.00 -0.39 0.00 0.00 64.86 63.26 1qvn h ILE 86 Cb 0.63 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.45 1qvn h ILE 86 CO 0.04 0.43 0.52 -1.28 -0.69 0.00 0.00 178.15 177.16 1qvn h SER 87 N 0.72 0.90 -0.67 1.72 0.87 -1.51 0.30 113.55 115.89 1qvn h SER 87 Ca 0.11 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1qvn h SER 87 Cb 0.67 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1qvn h SER 87 CO 0.05 0.65 0.23 0.78 -0.53 0.00 0.00 176.83 178.01 1qvn h ASN 88 N 1.06 0.95 -0.50 6.23 4.21 -0.73 -2.23 115.58 124.57 1qvn h ASN 88 Ca 0.29 -0.19 -0.07 0.00 1.21 0.00 0.00 56.30 57.53 1qvn h ASN 88 Cb -0.12 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.81 1qvn h ASN 88 CO -0.06 0.88 0.03 0.40 -1.29 0.00 0.00 177.43 177.40 1qvn h ILE 89 N 0.95 1.26 -0.68 2.81 2.04 -0.75 -3.00 117.51 120.15 1qvn h ILE 89 Ca 0.22 -1.02 0.10 0.00 1.00 0.00 0.00 64.86 65.16 1qvn h ILE 89 Cb 0.26 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1qvn h ILE 89 CO -0.01 0.36 0.31 -1.13 0.00 0.00 0.00 178.15 177.67 1qvn h ASN 90 N 0.72 0.37 -0.35 1.72 -1.24 -0.19 -1.31 115.58 115.30 1qvn h ASN 90 Ca 0.14 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1qvn h ASN 90 Cb 0.47 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.51 1qvn h ASN 90 CO 0.02 0.21 0.23 0.58 -1.29 0.00 0.00 177.43 177.18 1qvn h VAL 91 N 0.52 1.09 -0.15 2.57 2.07 -1.35 -1.35 116.25 119.64 1qvn h VAL 91 Ca 0.34 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.72 1qvn h VAL 91 Cb 0.39 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1qvn h VAL 91 CO -0.29 0.09 -0.01 0.40 0.02 0.00 0.00 177.57 177.77 1qvn h ILE 92 N 0.47 0.88 -0.70 4.57 1.08 -1.28 -0.84 117.51 121.69 1qvn h ILE 92 Ca 0.13 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.61 1qvn h ILE 92 Cb -0.05 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.50 1qvn h ILE 92 CO -0.03 0.01 0.45 0.58 -0.69 0.00 0.00 178.15 178.47 1qvn h VAL 93 N 0.03 1.13 -0.10 1.67 2.07 -1.08 0.40 116.25 120.37 1qvn h VAL 93 Ca 0.07 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1qvn h VAL 93 Cb 0.10 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1qvn h VAL 93 CO -0.13 0.16 -0.33 -0.07 0.02 0.00 0.00 177.57 177.22 1qvn h LEU 94 N 0.90 0.20 0.08 2.57 3.38 -0.93 -0.11 115.31 121.40 1qvn h LEU 94 Ca 0.27 -0.07 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 1qvn h LEU 94 Cb -0.03 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1qvn h LEU 94 CO -0.09 0.52 -1.18 -0.33 0.09 0.00 0.00 178.44 177.45 1qvn h GLU 95 N 0.17 0.25 0.07 1.13 5.08 -0.66 -1.60 114.58 119.02 1qvn h GLU 95 Ca 0.02 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1qvn h GLU 95 Cb 0.67 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1qvn h GLU 95 CO 0.05 1.18 -0.03 -0.07 -1.00 0.00 0.00 179.01 179.14 1qvn h LEU 96 N 0.08 -0.08 -1.67 1.33 3.38 -0.77 -3.16 115.31 114.41 1qvn h LEU 96 Ca -0.11 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 1qvn h LEU 96 Cb 1.91 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.68 1qvn h LEU 96 CO 0.19 0.60 -0.04 0.07 0.09 0.00 0.00 178.44 179.35 1qvn h LYS 97 N -0.84 0.00 0.00 1.13 2.10 -1.18 -3.46 116.57 114.33 1qvn h LYS 97 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1qvn h LYS 97 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1qvn h LYS 97 CO 0.01 0.04 0.00 0.41 -2.00 0.00 0.00 179.45 177.92 1qvn n GLY 98 N -0.17 1.32 7.00 0.07 0.00 -0.60 -4.77 105.19 108.03 1qvn n GLY 98 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1qvn n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qvn n SER 99 N 0.70 -1.43 0.00 1.61 7.64 -1.26 -4.65 113.62 116.23 1qvn n SER 99 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qvn n SER 99 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qvn n SER 99 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1qvn n GLU 100 N 0.00 1.20 -2.01 1.43 4.71 -1.26 -5.08 120.64 119.63 1qvn n GLU 100 Ca 0.00 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.16 56.71 1qvn n GLU 100 Cb 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 31.44 30.18 1qvn n GLU 100 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1qvn s THR 101 N -0.18 2.78 -0.44 2.62 2.01 -1.26 -5.01 115.64 116.16 1qvn s THR 101 Ca 0.00 0.59 -0.08 0.00 0.31 0.00 0.00 61.69 62.51 1qvn s THR 101 Cb 0.00 -3.38 0.10 0.00 0.01 0.00 0.00 72.50 69.24 1qvn s THR 101 CO 0.00 0.07 0.29 -0.89 -0.69 0.00 0.00 174.62 173.39 1qvn s THR 102 N 0.67 4.02 -0.15 -0.82 2.01 -1.26 -5.05 115.64 115.07 1qvn s THR 102 Ca 0.65 -1.71 -0.22 0.00 0.31 0.00 0.00 61.69 60.71 1qvn s THR 102 Cb -0.42 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1qvn s THR 102 CO 0.36 -0.66 0.68 0.12 -0.69 0.00 0.00 174.62 174.42 1qvn s PHE 103 N 1.34 3.45 -0.03 4.92 5.36 -1.26 -5.04 117.98 126.72 1qvn s PHE 103 Ca 0.05 1.08 -0.30 0.00 -0.96 0.00 0.00 56.93 56.80 1qvn s PHE 103 Cb -0.25 -2.82 -0.03 0.00 -0.34 0.00 0.00 43.02 39.58 1qvn s PHE 103 CO -0.01 -0.08 1.04 1.41 -1.46 0.00 0.00 175.22 176.13 1qvn s MET 104 N 1.53 4.47 0.42 10.12 -2.45 -1.26 -4.95 119.30 127.17 1qvn s MET 104 Ca 0.33 1.49 -0.18 0.00 -1.25 0.00 0.00 55.69 56.07 1qvn s MET 104 Cb -0.16 -3.49 -0.10 0.00 1.25 0.00 0.00 34.83 32.33 1qvn s MET 104 CO 0.13 -0.22 0.90 0.00 1.05 0.00 0.00 175.02 176.88 1qvn s GLU 106 N -3.30 3.04 0.06 0.00 8.01 -1.26 -5.12 118.70 120.14 1qvn s GLU 106 Ca 0.59 -0.87 0.06 0.00 0.01 0.00 0.00 54.97 54.77 1qvn s GLU 106 Cb -0.09 -2.36 -0.04 0.00 -4.31 0.00 0.00 34.13 27.32 1qvn s GLU 106 CO 0.18 0.10 -0.12 0.71 0.01 0.00 0.00 175.26 176.14 1qvn s TYR 107 N 0.54 2.72 0.83 1.61 2.02 -1.26 -2.51 117.35 121.30 1qvn s TYR 107 Ca -0.14 -0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 1qvn s TYR 107 Cb -0.17 -1.48 0.09 0.00 -0.40 0.00 0.00 41.96 40.00 1qvn s TYR 107 CO 0.04 0.36 1.12 0.00 -1.57 0.00 0.00 175.55 175.50 1qvn s ALA 108 N -1.08 2.17 -0.05 3.71 0.00 -0.56 -4.72 121.76 121.23 1qvn s ALA 108 Ca 0.18 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 1qvn s ALA 108 Cb -0.11 -3.06 -0.16 0.00 0.00 0.00 0.00 23.12 19.79 1qvn s ALA 108 CO 0.10 -1.87 0.89 -0.44 0.00 0.00 0.00 175.76 174.43 1qvn h ASP 109 N -1.19 -0.18 -2.79 0.00 3.32 -1.99 -3.44 116.42 110.14 1qvn h ASP 109 Ca -0.48 -0.36 -0.56 0.00 0.02 0.00 0.00 57.03 55.65 1qvn h ASP 109 Cb 1.30 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1qvn h ASP 109 CO 0.61 0.37 0.98 -1.61 -1.72 0.00 0.00 179.24 177.87 1qvn s GLU 110 N -3.45 4.21 0.72 3.56 0.41 -1.26 -5.02 118.70 117.88 1qvn s GLU 110 Ca -0.13 1.88 -0.11 0.00 -0.41 0.00 0.00 54.97 56.20 1qvn s GLU 110 Cb 0.00 -3.85 0.02 0.00 -1.78 0.00 0.00 34.13 28.53 1qvn s GLU 110 CO 0.48 -0.76 1.07 0.95 -0.49 0.00 0.00 175.26 176.51 1qvn s THR 111 N 3.69 3.75 0.13 3.63 -4.23 -1.26 -4.67 115.64 116.69 1qvn s THR 111 Ca 0.62 0.57 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 1qvn s THR 111 Cb -0.26 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.20 1qvn s THR 111 CO 0.21 -0.74 -0.07 0.00 -0.54 0.00 0.00 174.62 173.47 1qvn s ALA 112 N -3.09 1.24 1.16 3.99 0.00 -0.72 -4.92 121.76 119.41 1qvn s ALA 112 Ca 0.59 -1.44 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 1qvn s ALA 112 Cb -0.14 0.16 0.28 0.00 0.00 0.00 0.00 23.12 23.42 1qvn s ALA 112 CO 0.55 -0.18 1.19 0.95 0.00 0.00 0.00 175.76 178.26 1qvn s THR 113 N -3.50 1.67 0.21 0.00 -4.23 -1.26 0.23 115.64 108.76 1qvn s THR 113 Ca 0.15 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 1qvn s THR 113 Cb 0.04 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.33 1qvn s THR 113 CO -0.01 0.00 1.70 -0.29 -0.54 0.00 0.00 174.62 175.48 1qvn h ILE 114 N -2.42 1.26 -0.17 2.99 2.10 -1.80 -1.10 117.51 118.37 1qvn h ILE 114 Ca -0.43 -1.07 -0.02 0.00 1.08 0.00 0.00 64.86 64.42 1qvn h ILE 114 Cb 1.26 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 1qvn h ILE 114 CO 0.30 0.39 0.01 0.58 -1.08 0.00 0.00 178.15 178.35 1qvn h VAL 115 N 0.93 1.24 -0.09 2.19 2.07 -1.93 -1.16 116.25 119.49 1qvn h VAL 115 Ca 0.18 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 1qvn h VAL 115 Cb 0.48 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1qvn h VAL 115 CO 0.02 0.23 -0.32 -0.33 0.02 0.00 0.00 177.57 177.19 1qvn h GLU 116 N 0.05 0.17 -0.12 1.57 5.08 -1.92 -1.19 114.58 118.22 1qvn h GLU 116 Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1qvn h GLU 116 Cb 0.34 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1qvn h GLU 116 CO 0.01 0.48 -0.09 0.35 -1.00 0.00 0.00 179.01 178.75 1qvn h PHE 117 N 0.15 0.32 -0.34 4.33 3.57 -1.06 -2.74 116.94 121.17 1qvn h PHE 117 Ca 0.02 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 1qvn h PHE 117 Cb 0.65 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1qvn h PHE 117 CO 0.01 0.66 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.59 1qvn h LEU 118 N -0.11 0.66 -0.94 0.59 3.38 -1.10 -3.08 115.31 114.71 1qvn h LEU 118 Ca 0.02 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1qvn h LEU 118 Cb 0.59 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1qvn h LEU 118 CO 0.02 0.88 0.57 0.78 0.09 0.00 0.00 178.44 180.78 1qvn h ASN 119 N 0.44 1.13 -0.96 -0.43 -0.26 -1.30 0.06 115.58 114.25 1qvn h ASN 119 Ca 0.09 -0.07 0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1qvn h ASN 119 Cb 0.59 -0.29 -0.05 0.00 -1.06 0.00 0.00 38.32 37.51 1qvn h ASN 119 CO 0.03 0.87 0.63 -0.09 -1.06 0.00 0.00 177.43 177.82 1qvn h ARG 120 N 1.30 1.22 0.00 0.81 9.65 -1.46 0.17 114.38 126.08 1qvn h ARG 120 Ca 0.34 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 59.04 1qvn h ARG 120 Cb -0.06 -0.28 -0.02 0.00 -1.39 0.00 0.00 29.97 28.23 1qvn h ARG 120 CO -0.06 0.81 -0.71 -1.49 2.80 0.00 0.00 179.97 181.31 1qvn h TRP 121 N 1.26 0.00 -0.36 2.20 4.06 -1.38 -1.05 115.95 120.67 1qvn h TRP 121 Ca 0.37 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.25 1qvn h TRP 121 Cb -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 1qvn h TRP 121 CO -0.00 0.44 -0.05 0.82 -3.56 0.00 0.00 178.44 176.09 1qvn h ILE 122 N 0.00 1.27 -0.68 1.49 2.04 -0.58 -2.04 117.51 119.02 1qvn h ILE 122 Ca -0.04 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1qvn h ILE 122 Cb 1.37 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1qvn h ILE 122 CO 0.05 0.36 0.34 0.74 0.00 0.00 0.00 178.15 179.64 1qvn h THR 123 N 0.48 1.22 -0.08 -0.27 2.02 -0.64 -1.98 112.91 113.66 1qvn h THR 123 Ca 0.10 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1qvn h THR 123 Cb 0.54 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1qvn h THR 123 CO 0.03 0.25 -0.09 0.15 0.37 0.00 0.00 175.52 176.23 1qvn h PHE 124 N 0.93 -0.22 -0.05 3.16 3.57 -1.11 -2.12 116.94 121.10 1qvn h PHE 124 Ca 0.23 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1qvn h PHE 124 Cb 0.09 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1qvn h PHE 124 CO 0.00 -0.14 -0.10 0.00 -2.23 0.00 0.00 178.31 175.85 1qvn h GLN 126 N -0.14 0.61 -0.00 0.00 4.20 -1.23 -1.61 115.11 116.93 1qvn h GLN 126 Ca 0.06 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.53 1qvn h GLN 126 Cb 0.22 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1qvn h GLN 126 CO -0.14 0.41 -0.87 0.66 -0.67 0.00 0.00 178.83 178.21 1qvn h SER 127 N 0.63 0.34 0.03 1.46 4.64 -1.12 -2.81 113.55 116.71 1qvn h SER 127 Ca 0.24 -0.27 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 1qvn h SER 127 Cb 0.16 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1qvn h SER 127 CO -0.07 1.06 -0.81 0.40 -0.87 0.00 0.00 176.83 176.54 1qvn h ILE 128 N 0.15 1.38 -0.69 0.95 1.08 -1.09 -3.29 117.51 116.00 1qvn h ILE 128 Ca -0.05 -2.21 0.05 0.00 -0.39 0.00 0.00 64.86 62.26 1qvn h ILE 128 Cb 1.50 2.60 -0.05 0.00 -3.07 0.00 0.00 36.82 37.80 1qvn h ILE 128 CO 0.14 0.66 0.41 0.40 -0.69 0.00 0.00 178.15 179.06 1qvn h ILE 129 N 0.05 1.03 0.00 -0.67 2.04 -1.36 -2.79 117.51 115.80 1qvn h ILE 129 Ca -0.11 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1qvn h ILE 129 Cb 1.52 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1qvn h ILE 129 CO 0.16 0.14 0.00 -1.20 0.00 0.00 0.00 178.15 177.25 1qvn n SER 130 N -4.73 0.00 -0.66 1.72 7.64 -1.06 -2.88 113.62 113.66 1qvn n SER 130 Ca 0.08 -0.82 0.09 0.00 1.01 0.00 0.00 58.87 59.23 1qvn n SER 130 Cb 0.13 -0.06 0.22 0.00 -1.01 0.00 0.00 64.21 63.49 1qvn n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1qvn n THR 131 N -1.06 2.10 -1.53 0.44 -2.24 -1.05 -5.09 114.28 105.84 1qvn n THR 131 Ca 0.22 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.08 1qvn n THR 131 Cb 0.14 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1qvn n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50