#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 0.01 4.04 0.87 -2.06 -2.53 113.55 113.88 1qvn h SER 5 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1qvn h SER 5 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1qvn h SER 5 CO 0.00 0.33 -0.76 -1.28 -0.53 0.00 0.00 176.83 174.59 1qvn h SER 6 N 0.00 0.76 -0.67 6.23 0.87 -2.06 -3.01 113.55 115.68 1qvn h SER 6 Ca -0.00 -0.50 -0.06 0.00 -1.23 0.00 0.00 61.79 59.99 1qvn h SER 6 Cb 0.62 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.33 1qvn h SER 6 CO 0.04 1.28 0.18 0.74 -0.53 0.00 0.00 176.83 178.55 1qvn h THR 7 N 0.44 1.26 -0.67 2.23 2.02 -1.94 -2.51 112.91 113.73 1qvn h THR 7 Ca -0.04 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 1qvn h THR 7 Cb 1.37 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1qvn h THR 7 CO 0.15 0.35 0.13 0.50 0.37 0.00 0.00 175.52 177.02 1qvn h LYS 8 N 0.98 1.08 -0.54 6.66 1.63 -1.50 -1.01 116.57 123.86 1qvn h LYS 8 Ca 0.21 -0.27 -0.06 0.00 -0.85 0.00 0.00 60.65 59.69 1qvn h LYS 8 Cb 0.34 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1qvn h LYS 8 CO -0.00 0.97 0.09 -0.22 -3.45 0.00 0.00 179.45 176.84 1qvn h LYS 9 N 1.01 0.85 -0.42 1.90 3.64 -1.41 -2.24 116.57 119.90 1qvn h LYS 9 Ca 0.21 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1qvn h LYS 9 Cb 0.40 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1qvn h LYS 9 CO 0.01 0.79 -0.32 1.15 -2.27 0.00 0.00 179.45 178.81 1qvn h THR 10 N 0.81 1.27 -0.30 1.00 2.02 -1.14 -2.52 112.91 114.04 1qvn h THR 10 Ca 0.17 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1qvn h THR 10 Cb 0.35 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1qvn h THR 10 CO 0.01 0.50 0.16 -0.61 0.37 0.00 0.00 175.52 175.94 1qvn h GLN 11 N 0.80 0.43 -0.04 6.66 4.15 -0.95 -1.46 115.11 124.69 1qvn h GLN 11 Ca 0.08 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 1qvn h GLN 11 Cb 0.90 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 1qvn h GLN 11 CO 0.08 0.39 -0.53 -0.07 -1.93 0.00 0.00 178.83 176.77 1qvn h LEU 12 N 0.36 0.13 -0.39 -2.39 3.38 -1.45 -0.61 115.31 114.33 1qvn h LEU 12 Ca 0.10 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1qvn h LEU 12 Cb 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1qvn h LEU 12 CO -0.02 0.63 -0.28 1.56 0.09 0.00 0.00 178.44 180.43 1qvn h GLN 13 N 0.09 0.88 -0.03 1.13 4.20 -1.33 -0.84 115.11 119.21 1qvn h GLN 13 Ca -0.00 -0.42 -0.10 0.00 0.06 0.00 0.00 58.65 58.19 1qvn h GLN 13 Cb 0.96 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1qvn h GLN 13 CO 0.07 1.07 -0.44 -0.07 -0.67 0.00 0.00 178.83 178.79 1qvn h LEU 14 N 0.69 0.08 -0.88 1.46 3.38 -1.13 -0.47 115.31 118.44 1qvn h LEU 14 Ca 0.08 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1qvn h LEU 14 Cb 0.85 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1qvn h LEU 14 CO 0.07 0.51 -0.08 -0.08 0.09 0.00 0.00 178.44 178.96 1qvn h GLU 15 N 0.06 0.74 -0.08 1.13 4.81 -0.94 -1.87 114.58 118.43 1qvn h GLU 15 Ca 0.00 -0.23 -0.23 0.00 -0.13 0.00 0.00 59.36 58.77 1qvn h GLU 15 Cb 0.81 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1qvn h GLU 15 CO 0.06 0.81 -0.87 1.25 -0.73 0.00 0.00 179.01 179.53 1qvn h HIS 16 N 0.68 0.95 -0.30 0.92 2.76 -0.67 -2.61 115.15 116.87 1qvn h HIS 16 Ca 0.12 -0.46 -0.03 0.00 -2.20 0.00 0.00 60.37 57.80 1qvn h HIS 16 Cb 0.54 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 1qvn h HIS 16 CO 0.03 1.28 0.07 1.25 -1.30 0.00 0.00 177.93 179.26 1qvn h LEU 17 N 0.43 0.46 -0.30 0.26 5.85 -1.08 -1.92 115.31 119.01 1qvn h LEU 17 Ca -0.07 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1qvn h LEU 17 Cb 1.50 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1qvn h LEU 17 CO 0.17 0.58 0.02 0.25 -0.34 0.00 0.00 178.44 179.12 1qvn h LEU 18 N 0.32 -0.08 -0.48 2.25 5.85 -1.39 -2.32 115.31 119.46 1qvn h LEU 18 Ca 0.09 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1qvn h LEU 18 Cb 0.30 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1qvn h LEU 18 CO 0.00 -0.00 0.09 0.25 -0.34 0.00 0.00 178.44 178.44 1qvn h LEU 19 N 0.11 0.75 -0.43 2.25 6.46 -1.37 -1.01 115.31 122.07 1qvn h LEU 19 Ca 0.14 -0.25 -0.03 0.00 -0.12 0.00 0.00 57.88 57.62 1qvn h LEU 19 Cb 0.18 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1qvn h LEU 19 CO -0.22 0.81 0.14 0.44 -0.62 0.00 0.00 178.44 178.99 1qvn h ASP 20 N 0.66 0.62 0.31 1.25 3.32 -1.27 0.50 116.42 121.81 1qvn h ASP 20 Ca 0.15 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 1qvn h ASP 20 Cb 0.37 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1qvn h ASP 20 CO 0.01 0.66 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.74 1qvn h LEU 21 N 0.56 0.10 -0.52 1.55 3.38 -1.35 -2.50 115.31 116.53 1qvn h LEU 21 Ca 0.14 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1qvn h LEU 21 Cb 0.25 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1qvn h LEU 21 CO -0.01 0.47 -0.57 1.56 0.09 0.00 0.00 178.44 179.99 1qvn h GLN 22 N 0.09 0.52 -0.38 1.13 4.20 -0.81 -2.54 115.11 117.32 1qvn h GLN 22 Ca 0.01 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.37 1qvn h GLN 22 Cb 0.70 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1qvn h GLN 22 CO 0.05 0.94 0.18 0.52 -0.67 0.00 0.00 178.83 179.85 1qvn h MET 23 N 0.40 0.55 -0.13 1.46 2.86 -0.61 -1.38 114.93 118.09 1qvn h MET 23 Ca 0.00 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1qvn h MET 23 Cb 1.11 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1qvn h MET 23 CO 0.10 0.50 0.05 0.82 1.06 0.00 0.00 176.91 179.45 1qvn h ILE 24 N 0.47 1.15 -0.99 -1.22 2.04 -1.46 -2.10 117.51 115.41 1qvn h ILE 24 Ca 0.13 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.59 1qvn h ILE 24 Cb 0.13 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1qvn h ILE 24 CO -0.02 0.13 0.65 0.25 0.00 0.00 0.00 178.15 179.17 1qvn h LEU 25 N 0.05 1.09 -1.08 1.44 5.85 -1.42 -1.75 115.31 119.49 1qvn h LEU 25 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1qvn h LEU 25 Cb 0.16 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1qvn h LEU 25 CO -0.00 0.75 0.48 -1.13 -0.34 0.00 0.00 178.44 178.20 1qvn h ASN 26 N 1.26 0.99 -0.43 1.25 -1.24 -1.06 -1.45 115.58 114.90 1qvn h ASN 26 Ca 0.39 -0.06 -0.11 0.00 0.71 0.00 0.00 56.30 57.23 1qvn h ASN 26 Cb -0.01 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 1qvn h ASN 26 CO -0.12 0.77 -0.16 1.23 -1.29 0.00 0.00 177.43 177.85 1qvn h GLY 27 N 1.15 0.95 1.81 1.57 0.00 -0.66 -3.09 103.07 104.80 1qvn h GLY 27 Ca 0.29 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1qvn h GLY 27 CO -0.05 0.75 -0.37 -2.22 0.00 0.00 0.00 176.54 174.65 1qvn h ILE 28 N 0.71 1.29 0.00 2.60 2.04 -1.16 -3.01 117.51 119.97 1qvn h ILE 28 Ca 0.10 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 1qvn h ILE 28 Cb 0.72 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1qvn h ILE 28 CO 0.05 0.42 -0.13 0.78 0.00 0.00 0.00 178.15 179.27 1qvn h ASN 29 N 0.19 0.00 -0.28 1.72 2.35 -1.18 -2.76 115.58 115.62 1qvn h ASN 29 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1qvn h ASN 29 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1qvn h ASN 29 CO 0.06 0.13 0.00 0.59 -1.65 0.00 0.00 177.43 176.56 1qvn n ASN 30 N -4.05 2.45 -4.77 5.81 5.03 -1.14 -4.94 115.26 113.65 1qvn n ASN 30 Ca -0.02 -1.85 -0.37 0.00 0.87 0.00 0.00 54.58 53.20 1qvn n ASN 30 Cb 0.21 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 1qvn n ASN 30 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1qvn s TYR 31 N -1.65 2.89 0.77 3.10 2.02 -1.04 -5.03 117.35 118.41 1qvn s TYR 31 Ca 0.34 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.47 1qvn s TYR 31 Cb 0.19 -3.41 0.05 0.00 -0.40 0.00 0.00 41.96 38.40 1qvn s TYR 31 CO 0.28 -1.54 1.09 0.15 -1.57 0.00 0.00 175.55 173.96 1qvn s LYS 32 N -2.62 2.30 0.18 -0.62 1.02 -1.26 -4.69 119.74 114.06 1qvn s LYS 32 Ca 0.62 1.12 -0.13 0.00 0.02 0.00 0.00 55.97 57.60 1qvn s LYS 32 Cb -0.30 -1.91 0.19 0.00 -0.52 0.00 0.00 37.83 35.29 1qvn s LYS 32 CO 0.36 -1.59 1.71 -0.91 -0.92 0.00 0.00 175.35 174.00 1qvn h ASN 33 N -1.09 -0.06 -0.73 2.83 2.35 -1.98 0.17 115.58 117.07 1qvn h ASN 33 Ca -0.44 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.35 1qvn h ASN 33 Cb 1.23 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.71 1qvn h ASN 33 CO 0.52 0.00 0.23 -0.65 -1.65 0.00 0.00 177.43 175.88 1qvn h PRO 34 N 0.20 1.13 -0.42 0.81 0.11 -2.00 -1.80 132.00 130.03 1qvn h PRO 34 Ca 0.25 -0.24 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1qvn h PRO 34 Cb 0.34 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1qvn h PRO 34 CO -0.34 0.96 -0.10 -0.22 -0.21 0.00 0.00 178.00 178.09 1qvn h LYS 35 N 1.07 0.81 -0.09 1.05 3.64 -1.75 -3.03 116.57 118.27 1qvn h LYS 35 Ca 0.23 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1qvn h LYS 35 Cb 0.30 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1qvn h LYS 35 CO -0.01 0.93 -0.35 1.25 -2.27 0.00 0.00 179.45 179.00 1qvn h LEU 36 N 0.63 0.18 -0.73 5.20 5.85 -0.66 -2.76 115.31 123.02 1qvn h LEU 36 Ca 0.11 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1qvn h LEU 36 Cb 0.63 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1qvn h LEU 36 CO 0.04 0.53 0.40 0.74 -0.34 0.00 0.00 178.44 179.81 1qvn h THR 37 N 0.15 1.23 -0.14 1.05 2.02 -1.21 -2.50 112.91 113.51 1qvn h THR 37 Ca 0.02 -0.57 -0.14 0.00 0.77 0.00 0.00 66.41 66.48 1qvn h THR 37 Cb 0.70 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1qvn h THR 37 CO 0.05 0.25 -0.53 0.03 0.37 0.00 0.00 175.52 175.69 1qvn h ARG 38 N 1.01 0.40 -0.56 6.66 2.47 -1.41 -3.13 114.38 119.84 1qvn h ARG 38 Ca 0.26 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1qvn h ARG 38 Cb 0.05 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 1qvn h ARG 38 CO -0.04 0.83 0.15 1.98 0.56 0.00 0.00 179.97 183.45 1qvn h MET 39 N 0.31 0.85 0.00 0.04 4.05 -1.24 -2.84 114.93 116.11 1qvn h MET 39 Ca 0.01 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1qvn h MET 39 Cb 1.03 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 1qvn h MET 39 CO 0.09 0.75 0.00 1.28 0.23 0.00 0.00 176.91 179.26 1qvn n LEU 40 N -4.28 0.00 0.11 3.39 4.77 -0.96 -2.49 117.00 117.54 1qvn n LEU 40 Ca 0.04 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.08 1qvn n LEU 40 Cb 0.22 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1qvn n LEU 40 CO 0.40 0.00 0.17 0.71 -1.33 0.00 0.00 177.39 177.34 1qvn h THR 41 N 0.00 0.34 -3.09 -5.08 1.35 -1.57 -3.46 112.91 101.40 1qvn h THR 41 Ca 0.00 -1.57 -0.53 0.00 -0.55 0.00 0.00 66.41 63.77 1qvn h THR 41 Cb 0.00 1.95 0.03 0.00 -1.73 0.00 0.00 68.15 68.40 1qvn h THR 41 CO 0.00 0.19 0.74 0.12 -0.25 0.00 0.00 175.52 176.32 1qvn s PHE 42 N -3.12 3.19 -0.04 4.73 2.19 -1.04 -5.02 117.98 118.88 1qvn s PHE 42 Ca 0.01 0.96 0.03 0.00 0.33 0.00 0.00 56.93 58.26 1qvn s PHE 42 Cb 0.08 -3.72 -0.03 0.00 -1.31 0.00 0.00 43.02 38.04 1qvn s PHE 42 CO 0.77 -2.48 -0.11 0.15 1.83 0.00 0.00 175.22 175.37 1qvn s LYS 43 N 0.72 2.54 0.14 10.12 -0.14 -1.26 -4.22 119.74 127.65 1qvn s LYS 43 Ca 0.63 -0.68 0.09 0.00 -1.36 0.00 0.00 55.97 54.65 1qvn s LYS 43 Cb -0.38 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.28 1qvn s LYS 43 CO 0.33 0.62 -0.20 -0.06 -0.76 0.00 0.00 175.35 175.29 1qvn s PHE 44 N -0.83 1.87 0.16 3.18 0.08 0.74 -4.93 117.98 118.25 1qvn s PHE 44 Ca 0.13 -0.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 1qvn s PHE 44 Cb -0.11 -0.96 -0.07 0.00 -0.57 0.00 0.00 43.02 41.31 1qvn s PHE 44 CO 0.03 0.30 0.60 0.71 -0.10 0.00 0.00 175.22 176.75 1qvn s TYR 45 N -1.67 3.63 0.12 0.36 2.02 -1.26 -1.57 117.35 118.98 1qvn s TYR 45 Ca 0.13 1.17 0.06 0.00 -0.37 0.00 0.00 57.07 58.05 1qvn s TYR 45 Cb -0.08 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.00 1qvn s TYR 45 CO 0.06 0.42 -0.03 -1.64 -1.57 0.00 0.00 175.55 172.79 1qvn s MET 46 N -1.89 2.40 0.21 -0.62 -1.94 -1.26 -4.97 119.30 111.23 1qvn s MET 46 Ca 0.38 -0.96 -0.30 0.00 -1.71 0.00 0.00 55.69 53.10 1qvn s MET 46 Cb -0.16 -2.43 -0.08 0.00 2.01 0.00 0.00 34.83 34.17 1qvn s MET 46 CO 0.20 0.51 1.03 -2.14 -0.01 0.00 0.00 175.02 174.61 1qvn s PRO 47 N -2.47 4.69 0.05 2.03 0.02 -1.26 -1.65 135.00 136.42 1qvn s PRO 47 Ca 0.25 1.63 -0.19 0.00 0.02 0.00 0.00 61.00 62.71 1qvn s PRO 47 Cb -0.11 -3.27 -0.13 0.00 0.02 0.00 0.00 34.50 31.01 1qvn s PRO 47 CO 0.17 0.25 1.36 1.57 -0.33 0.00 0.00 177.00 180.02 1qvn h LYS 48 N 4.61 0.41 -4.12 5.54 -0.00 -1.78 -3.42 116.57 117.82 1qvn h LYS 48 Ca -0.45 -0.22 -0.44 0.00 -0.00 0.00 0.00 60.65 59.55 1qvn h LYS 48 Cb 1.21 0.01 -0.34 0.00 -0.00 0.00 0.00 32.23 33.10 1qvn h LYS 48 CO 0.70 0.78 -0.78 0.21 -0.00 0.00 0.00 179.45 180.36 1qvn s LYS 49 N -4.32 1.02 -0.48 0.07 2.20 -1.26 -5.00 119.74 111.98 1qvn s LYS 49 Ca -0.14 -0.16 0.06 0.00 -0.36 0.00 0.00 55.97 55.36 1qvn s LYS 49 Cb 0.06 -0.99 0.20 0.00 -1.51 0.00 0.00 37.83 35.59 1qvn s LYS 49 CO 0.77 -0.08 0.47 0.00 -0.36 0.00 0.00 175.35 176.15 1qvn n ALA 50 N 4.09 2.97 0.00 3.13 0.00 -1.26 -4.87 120.51 124.56 1qvn n ALA 50 Ca -0.23 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1qvn n ALA 50 Cb 0.51 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1qvn n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qvn n THR 51 N 2.03 0.00 -4.52 0.00 -2.24 -1.26 -4.88 114.28 103.42 1qvn n THR 51 Ca 0.26 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.78 1qvn n THR 51 Cb 0.47 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.97 1.88 0.36 -0.78 2.02 -1.26 -4.92 118.70 114.04 1qvn s GLU 52 Ca 0.00 -1.94 0.07 0.00 0.02 0.00 0.00 54.97 53.13 1qvn s GLU 52 Cb 0.00 -1.73 0.70 0.00 0.10 0.00 0.00 34.13 33.19 1qvn s GLU 52 CO 0.00 0.11 1.89 -0.07 0.02 0.00 0.00 175.26 177.20 1qvn h LEU 53 N 1.94 0.32 -0.62 1.80 3.38 -1.97 -2.44 115.31 117.73 1qvn h LEU 53 Ca -0.42 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1qvn h LEU 53 Cb 1.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1qvn h LEU 53 CO 0.72 0.47 0.00 2.29 0.09 0.00 0.00 178.44 182.00 1qvn n LYS 54 N -4.26 0.15 0.00 1.13 2.85 -1.26 -2.13 118.16 114.64 1qvn n LYS 54 Ca -0.00 0.41 0.15 0.00 -1.05 0.00 0.00 58.31 57.83 1qvn n LYS 54 Cb 0.27 -1.80 0.91 0.00 -0.65 0.00 0.00 35.03 33.76 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 -2.09 0.00 0.56 5.58 8.25 -0.92 -3.47 115.22 123.13 1qvn n HIS 55 Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.58 1qvn n HIS 55 Cb 0.19 0.00 0.43 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.99 0.30 0.26 2.41 4.77 -0.90 -2.91 117.00 119.94 1qvn n LEU 56 Ca 0.23 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.86 1qvn n LEU 56 Cb 0.11 -0.50 0.68 0.00 -2.33 0.00 0.00 43.42 41.38 1qvn n LEU 56 CO 0.17 -0.30 1.06 -0.61 -1.33 0.00 0.00 177.39 176.39 1qvn h GLN 57 N 0.00 0.00 -0.44 3.23 -0.00 -1.82 -1.33 115.11 114.76 1qvn h GLN 57 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 1qvn h GLN 57 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 1qvn h GLN 57 CO 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 178.83 178.75 1qvn h LEU 59 N 0.71 0.84 -0.63 0.00 5.85 -1.52 -3.18 115.31 117.38 1qvn h LEU 59 Ca 0.12 -0.57 0.05 0.00 0.84 0.00 0.00 57.88 58.32 1qvn h LEU 59 Cb 0.58 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1qvn h LEU 59 CO 0.04 1.26 0.36 -0.08 -0.34 0.00 0.00 178.44 179.67 1qvn h GLU 60 N 0.47 0.66 0.00 1.25 4.81 -1.16 -1.60 114.58 119.01 1qvn h GLU 60 Ca -0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1qvn h GLU 60 Cb 1.15 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1qvn h GLU 60 CO 0.12 0.44 -0.15 0.93 -0.73 0.00 0.00 179.01 179.61 1qvn h GLU 61 N 0.68 0.00 -0.67 1.92 5.08 -1.48 -2.76 114.58 117.35 1qvn h GLU 61 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1qvn h GLU 61 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qvn h GLU 61 CO -0.15 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1qvn n GLU 62 N -3.65 2.68 0.08 2.33 -0.58 -0.66 -4.37 120.64 116.48 1qvn n GLU 62 Ca -0.02 -2.60 -0.13 0.00 -0.42 0.00 0.00 57.16 54.00 1qvn n GLU 62 Cb 0.27 -1.56 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 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 4.39 0.40 -0.11 -4.62 3.38 -1.10 -1.89 115.31 115.76 1qvn h LEU 63 Ca 0.00 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1qvn h LEU 63 Cb 1.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1qvn h LEU 63 CO 0.00 1.20 0.03 0.11 0.09 0.00 0.00 178.44 179.88 1qvn h LYS 64 N 0.14 0.16 -0.99 1.13 1.57 -1.77 -0.64 116.57 116.17 1qvn h LYS 64 Ca -0.09 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1qvn h LYS 64 Cb 1.70 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.91 1qvn h LYS 64 CO 0.17 0.31 0.63 -1.35 -0.57 0.00 0.00 179.45 178.64 1qvn h PRO 65 N -0.01 0.98 -0.63 3.15 0.11 -1.82 -2.15 132.00 131.63 1qvn h PRO 65 Ca 0.03 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1qvn h PRO 65 Cb 0.21 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1qvn h PRO 65 CO -0.00 0.65 0.29 1.25 -0.21 0.00 0.00 178.00 179.98 1qvn h LEU 66 N 1.01 0.81 -0.49 2.35 5.85 -1.01 -1.77 115.31 122.06 1qvn h LEU 66 Ca 0.48 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.95 1qvn h LEU 66 Cb 0.43 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1qvn h LEU 66 CO -0.24 0.70 -0.44 -0.08 -0.34 0.00 0.00 178.44 178.04 1qvn h GLU 67 N 0.89 0.75 -0.45 1.25 4.81 -0.71 -2.45 114.58 118.67 1qvn h GLU 67 Ca 0.22 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 58.98 1qvn h GLU 67 Cb 0.11 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1qvn h GLU 67 CO -0.03 1.04 0.07 1.49 -0.73 0.00 0.00 179.01 180.85 1qvn h GLU 68 N 0.60 0.74 -0.69 1.92 4.81 -1.16 -1.67 114.58 119.13 1qvn h GLU 68 Ca 0.04 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1qvn h GLU 68 Cb 1.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 1qvn h GLU 68 CO 0.09 0.76 0.29 0.00 -0.73 0.00 0.00 179.01 179.43 1qvn h ALA 69 N 0.95 0.90 0.00 2.92 0.00 -1.28 -2.34 119.26 120.40 1qvn h ALA 69 Ca 0.14 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1qvn h ALA 69 Cb 0.38 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qvn h ALA 69 CO 0.01 0.50 -0.42 -0.07 0.00 0.00 0.00 179.25 179.28 1qvn h LEU 70 N 0.98 0.00 -0.86 0.00 3.38 -1.39 -2.91 115.31 114.50 1qvn h LEU 70 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1qvn h LEU 70 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1qvn h LEU 70 CO -0.02 0.42 -0.34 0.78 0.09 0.00 0.00 178.44 179.37 1qvn h ASN 71 N 0.00 0.45 1.26 -0.43 2.35 -0.91 -1.04 115.58 117.26 1qvn h ASN 71 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1qvn h ASN 71 Cb 0.99 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1qvn h ASN 71 CO 0.05 0.76 0.00 0.18 -1.65 0.00 0.00 177.43 176.78 1qvn n LEU 72 N -4.07 0.80 -0.27 1.61 4.77 -0.92 -3.52 117.00 115.41 1qvn n LEU 72 Ca -0.01 0.61 0.05 0.00 -0.03 0.00 0.00 56.01 56.63 1qvn n LEU 72 Cb 0.46 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1qvn n LEU 72 CO 0.43 -0.31 0.26 0.00 -1.33 0.00 0.00 177.39 176.44 1qvn n ALA 73 N -1.80 2.72 -0.90 -1.18 0.00 -1.08 -5.11 120.51 113.17 1qvn n ALA 73 Ca 0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1qvn n ALA 73 Cb 0.37 -0.34 0.09 0.00 0.00 0.00 0.00 19.45 19.58 1qvn n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qvn n GLN 74 N -0.03 -2.31 -4.05 0.00 0.00 -0.42 -5.07 117.38 105.51 1qvn n GLN 74 Ca 0.04 -0.57 -0.35 0.00 0.00 0.00 0.00 57.00 56.13 1qvn n GLN 74 Cb 0.21 -0.61 -0.09 0.00 0.00 0.00 0.00 30.24 29.75 1qvn n GLN 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1qvn s ARG 81 N -3.81 3.69 0.43 2.61 3.00 -1.26 -5.13 118.95 118.49 1qvn s ARG 81 Ca 0.24 -0.31 0.15 0.00 -1.00 0.00 0.00 55.73 54.81 1qvn s ARG 81 Cb -0.03 -3.13 0.97 0.00 0.00 0.00 0.00 34.95 32.75 1qvn s ARG 81 CO 0.19 0.45 1.95 -1.35 0.00 0.00 0.00 175.30 176.55 1qvn h PRO 82 N 6.07 0.00 -0.79 5.12 0.11 -1.94 -2.87 132.00 137.70 1qvn h PRO 82 Ca -0.43 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 1qvn h PRO 82 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1qvn h PRO 82 CO 0.65 0.23 0.39 -0.09 -0.21 0.00 0.00 178.00 178.97 1qvn h ARG 83 N 0.00 1.14 0.01 1.05 9.65 -2.00 -2.20 114.38 122.03 1qvn h ARG 83 Ca -0.00 -0.16 -0.21 0.00 -1.10 0.00 0.00 59.98 58.50 1qvn h ARG 83 Cb 0.42 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 1qvn h ARG 83 CO 0.03 0.88 -1.02 -0.44 2.80 0.00 0.00 179.97 182.22 1qvn h ASP 84 N 1.12 0.03 0.20 -3.80 3.32 -1.96 -2.95 116.42 112.37 1qvn h ASP 84 Ca 0.27 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 1qvn h ASP 84 Cb 0.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1qvn h ASP 84 CO -0.04 1.02 -0.10 0.25 -1.72 0.00 0.00 179.24 178.66 1qvn h LEU 85 N 0.00 -0.23 -1.46 1.55 5.85 -1.37 -2.32 115.31 117.33 1qvn h LEU 85 Ca -0.02 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1qvn h LEU 85 Cb 1.79 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 1qvn h LEU 85 CO 0.13 0.15 -0.22 0.40 -0.34 0.00 0.00 178.44 178.56 1qvn h ILE 86 N -0.64 1.18 -0.85 4.05 1.08 -1.53 -1.88 117.51 118.92 1qvn h ILE 86 Ca -0.03 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 63.57 1qvn h ILE 86 Cb 0.46 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.56 1qvn h ILE 86 CO 0.05 0.25 0.43 -1.28 -0.69 0.00 0.00 178.15 176.91 1qvn h SER 87 N 0.07 1.10 0.20 1.72 0.87 -1.49 0.14 113.55 116.16 1qvn h SER 87 Ca 0.01 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.31 1qvn h SER 87 Cb 0.43 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1qvn h SER 87 CO 0.03 0.90 -0.56 0.78 -0.53 0.00 0.00 176.83 177.46 1qvn h ASN 88 N 1.21 0.43 0.09 6.23 2.35 -0.79 -2.97 115.58 122.12 1qvn h ASN 88 Ca 0.30 -0.23 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 1qvn h ASN 88 Cb 0.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1qvn h ASN 88 CO -0.04 0.90 -0.59 0.40 -1.65 0.00 0.00 177.43 176.45 1qvn h ILE 89 N 0.29 1.33 -0.71 2.81 2.04 -1.11 -3.18 117.51 118.99 1qvn h ILE 89 Ca 0.00 -1.87 0.04 0.00 1.00 0.00 0.00 64.86 64.04 1qvn h ILE 89 Cb 1.07 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.95 1qvn h ILE 89 CO 0.10 0.58 0.43 -1.13 0.00 0.00 0.00 178.15 178.12 1qvn h ASN 90 N 0.38 0.68 -0.58 1.72 -1.24 -0.63 -1.27 115.58 114.65 1qvn h ASN 90 Ca -0.00 0.01 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 1qvn h ASN 90 Cb 1.14 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.03 1qvn h ASN 90 CO 0.11 0.46 0.09 0.58 -1.29 0.00 0.00 177.43 177.38 1qvn h VAL 91 N 0.82 1.26 0.05 2.57 2.07 -1.54 -2.10 116.25 119.36 1qvn h VAL 91 Ca 0.30 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1qvn h VAL 91 Cb 0.09 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1qvn h VAL 91 CO -0.14 0.36 -0.02 0.40 0.02 0.00 0.00 177.57 178.19 1qvn h ILE 92 N 0.85 1.09 -0.20 4.57 1.08 -1.46 -2.31 117.51 121.14 1qvn h ILE 92 Ca 0.17 -0.45 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1qvn h ILE 92 Cb 0.42 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 1qvn h ILE 92 CO 0.01 0.11 0.10 0.58 -0.69 0.00 0.00 178.15 178.26 1qvn h VAL 93 N -0.26 1.00 -0.59 1.67 2.07 -1.21 0.12 116.25 119.05 1qvn h VAL 93 Ca -0.01 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1qvn h VAL 93 Cb 0.23 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1qvn h VAL 93 CO 0.01 0.04 0.18 -0.07 0.02 0.00 0.00 177.57 177.75 1qvn h LEU 94 N 0.21 0.81 -0.14 2.57 3.38 -1.41 -0.46 115.31 120.27 1qvn h LEU 94 Ca 0.08 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1qvn h LEU 94 Cb 0.02 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.56 1qvn h LEU 94 CO -0.05 0.77 -0.67 -0.33 0.09 0.00 0.00 178.44 178.24 1qvn h GLU 95 N 0.86 0.70 -0.67 1.13 5.08 -1.17 -2.84 114.58 117.68 1qvn h GLU 95 Ca 0.19 -0.57 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 1qvn h GLU 95 Cb 0.25 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1qvn h GLU 95 CO -0.01 1.18 0.13 -0.07 -1.00 0.00 0.00 179.01 179.24 1qvn h LEU 96 N 0.39 1.04 -0.70 1.33 3.38 -0.55 -2.54 115.31 117.65 1qvn h LEU 96 Ca -0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qvn h LEU 96 Cb 1.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1qvn h LEU 96 CO 0.14 1.02 0.00 0.07 0.09 0.00 0.00 178.44 179.76 1qvn h LYS 97 N 1.02 0.00 -1.77 1.13 2.10 -1.15 -3.46 116.57 114.45 1qvn h LYS 97 Ca 0.21 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.97 1qvn h LYS 97 Cb 0.41 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.68 1qvn h LYS 97 CO 0.01 0.00 -0.58 0.41 -2.00 0.00 0.00 179.45 177.29 1qvn n GLY 98 N 0.54 -3.16 0.41 0.07 0.00 -0.96 -4.65 105.19 97.43 1qvn n GLY 98 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1qvn n GLY 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qvn n GLU 100 N -2.76 -0.13 -5.07 1.61 -0.00 -1.26 -4.87 120.64 108.16 1qvn n GLU 100 Ca -0.03 -0.04 -0.29 0.00 -0.00 0.00 0.00 57.16 56.80 1qvn n GLU 100 Cb 0.30 0.06 -0.16 0.00 -0.00 0.00 0.00 31.44 31.64 1qvn n GLU 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1qvn s THR 101 N -0.52 1.79 -0.20 3.84 2.01 -1.26 -5.12 115.64 116.18 1qvn s THR 101 Ca 0.00 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 1qvn s THR 101 Cb 0.00 -1.53 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1qvn s THR 101 CO 0.00 0.50 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.40 1qvn s THR 102 N 0.09 2.51 -0.17 -0.82 2.01 -1.26 -5.09 115.64 112.91 1qvn s THR 102 Ca -0.08 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.05 1qvn s THR 102 Cb -0.14 -2.10 0.08 0.00 0.01 0.00 0.00 72.50 70.34 1qvn s THR 102 CO 0.04 0.48 0.35 0.12 -0.69 0.00 0.00 174.62 174.93 1qvn s PHE 103 N 1.35 -0.62 -0.57 4.92 5.36 -1.26 -5.11 117.98 122.04 1qvn s PHE 103 Ca 0.05 1.27 -0.27 0.00 -0.96 0.00 0.00 56.93 57.02 1qvn s PHE 103 Cb -0.14 0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.73 1qvn s PHE 103 CO -0.09 -0.42 1.12 1.41 -1.46 0.00 0.00 175.22 175.78 1qvn s MET 104 N 2.49 3.47 0.03 10.12 -2.45 -1.26 -5.00 119.30 126.70 1qvn s MET 104 Ca -0.01 0.12 -0.30 0.00 -1.25 0.00 0.00 55.69 54.25 1qvn s MET 104 Cb -0.12 -4.02 -0.04 0.00 1.25 0.00 0.00 34.83 31.89 1qvn s MET 104 CO -0.11 -1.62 1.10 0.00 1.05 0.00 0.00 175.02 175.44 1qvn s GLU 106 N 1.04 3.63 0.31 0.00 2.02 -1.26 -5.05 118.70 119.39 1qvn s GLU 106 Ca 0.56 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.37 1qvn s GLU 106 Cb -0.25 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 1qvn s GLU 106 CO 0.29 0.59 0.45 0.71 0.02 0.00 0.00 175.26 177.32 1qvn s TYR 107 N -0.50 3.33 0.90 1.61 2.02 -1.26 -2.70 117.35 120.75 1qvn s TYR 107 Ca 0.11 -0.00 -0.13 0.00 -0.37 0.00 0.00 57.07 56.69 1qvn s TYR 107 Cb -0.12 -1.82 0.13 0.00 -0.40 0.00 0.00 41.96 39.75 1qvn s TYR 107 CO 0.02 0.17 1.15 0.00 -1.57 0.00 0.00 175.55 175.32 1qvn s ALA 108 N -2.15 1.93 -0.02 3.71 0.00 -0.66 -4.66 121.76 119.93 1qvn s ALA 108 Ca 0.40 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.56 1qvn s ALA 108 Cb -0.09 -3.00 -0.25 0.00 0.00 0.00 0.00 23.12 19.77 1qvn s ALA 108 CO 0.32 -2.21 1.04 -0.44 0.00 0.00 0.00 175.76 174.46 1qvn h ASP 109 N -1.45 0.47 -3.24 0.00 3.32 -1.99 -3.45 116.42 110.09 1qvn h ASP 109 Ca -0.49 -0.81 -0.57 0.00 0.02 0.00 0.00 57.03 55.17 1qvn h ASP 109 Cb 1.33 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1qvn h ASP 109 CO 0.61 1.23 -0.08 -1.61 -1.72 0.00 0.00 179.24 177.66 1qvn s GLU 110 N -2.99 4.05 0.77 3.56 0.41 -1.26 -5.09 118.70 118.15 1qvn s GLU 110 Ca -0.14 0.57 -0.09 0.00 -0.41 0.00 0.00 54.97 54.90 1qvn s GLU 110 Cb 0.02 -3.09 0.09 0.00 -1.78 0.00 0.00 34.13 29.37 1qvn s GLU 110 CO 0.81 0.57 1.11 0.95 -0.49 0.00 0.00 175.26 178.21 1qvn s THR 111 N -1.27 2.15 0.09 3.63 -4.23 -1.26 -4.59 115.64 110.15 1qvn s THR 111 Ca 0.32 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 1qvn s THR 111 Cb -0.17 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1qvn s THR 111 CO 0.18 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.39 1qvn s ALA 112 N -3.43 0.10 0.93 3.99 0.00 -0.61 -4.94 121.76 117.81 1qvn s ALA 112 Ca 0.63 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.55 1qvn s ALA 112 Cb -0.09 0.51 0.16 0.00 0.00 0.00 0.00 23.12 23.69 1qvn s ALA 112 CO 0.47 -0.49 1.24 0.95 0.00 0.00 0.00 175.76 177.93 1qvn s THR 113 N -3.91 1.97 0.41 0.00 -4.23 -1.26 -0.18 115.64 108.44 1qvn s THR 113 Ca 0.09 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.72 1qvn s THR 113 Cb 0.06 -2.93 0.17 0.00 1.34 0.00 0.00 72.50 71.13 1qvn s THR 113 CO -0.08 0.00 1.94 -0.29 -0.54 0.00 0.00 174.62 175.65 1qvn h ILE 114 N -1.52 1.16 -0.07 2.99 2.10 -1.82 -1.29 117.51 119.07 1qvn h ILE 114 Ca -0.46 -0.74 -0.12 0.00 1.08 0.00 0.00 64.86 64.63 1qvn h ILE 114 Cb 1.28 1.29 0.01 0.00 -1.09 0.00 0.00 36.82 38.31 1qvn h ILE 114 CO 0.49 0.22 -0.42 0.58 -1.08 0.00 0.00 178.15 177.94 1qvn h VAL 115 N 0.11 1.41 -0.57 2.19 2.07 -1.95 -2.05 116.25 117.47 1qvn h VAL 115 Ca 0.02 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1qvn h VAL 115 Cb 0.36 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1qvn h VAL 115 CO 0.02 0.53 0.28 -0.08 0.02 0.00 0.00 177.57 178.34 1qvn h GLU 116 N -0.07 0.81 0.21 1.57 4.22 -1.91 -1.81 114.58 117.60 1qvn h GLU 116 Ca -0.03 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.30 1qvn h GLU 116 Cb 1.08 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1qvn h GLU 116 CO 0.09 0.66 -0.27 0.35 -2.18 0.00 0.00 179.01 177.65 1qvn h PHE 117 N 0.77 -0.73 -0.61 0.92 3.57 -1.24 -2.41 116.94 117.21 1qvn h PHE 117 Ca 0.20 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 1qvn h PHE 117 Cb 0.11 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1qvn h PHE 117 CO -0.00 -0.39 0.04 -0.07 -2.23 0.00 0.00 178.31 175.66 1qvn h LEU 118 N -0.54 1.01 -1.32 0.59 3.38 -1.35 -2.88 115.31 114.19 1qvn h LEU 118 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qvn h LEU 118 Cb 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1qvn h LEU 118 CO -0.10 1.05 0.40 0.78 0.09 0.00 0.00 178.44 180.66 1qvn h ASN 119 N 0.94 0.75 -0.39 -0.43 -0.26 -1.24 0.14 115.58 115.09 1qvn h ASN 119 Ca 0.18 -0.03 -0.16 0.00 -0.56 0.00 0.00 56.30 55.73 1qvn h ASN 119 Cb 0.50 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 1qvn h ASN 119 CO 0.02 0.57 -0.37 -0.09 -1.06 0.00 0.00 177.43 176.50 1qvn h ARG 120 N 0.88 0.95 0.00 0.81 9.65 -1.32 -1.92 114.38 123.42 1qvn h ARG 120 Ca 0.23 -0.49 -0.09 0.00 -1.10 0.00 0.00 59.98 58.53 1qvn h ARG 120 Cb -0.06 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 1qvn h ARG 120 CO -0.05 1.15 -0.44 -1.49 2.80 0.00 0.00 179.97 181.94 1qvn h TRP 121 N 0.78 0.00 -0.20 2.20 4.06 -1.23 0.11 115.95 121.66 1qvn h TRP 121 Ca 0.07 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.94 1qvn h TRP 121 Cb 0.97 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1qvn h TRP 121 CO 0.06 0.44 -0.18 0.82 -3.56 0.00 0.00 178.44 176.02 1qvn h ILE 122 N 0.00 1.33 -0.10 1.49 2.04 -0.75 -2.30 117.51 119.21 1qvn h ILE 122 Ca -0.00 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1qvn h ILE 122 Cb 1.22 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1qvn h ILE 122 CO 0.06 0.41 0.06 0.74 0.00 0.00 0.00 178.15 179.41 1qvn h THR 123 N 0.16 1.05 -0.39 -0.27 2.02 -1.18 -1.43 112.91 112.87 1qvn h THR 123 Ca 0.03 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1qvn h THR 123 Cb 0.72 0.97 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 1qvn h THR 123 CO 0.05 0.05 -0.13 0.15 0.37 0.00 0.00 175.52 176.01 1qvn h PHE 124 N 0.10 -0.29 -0.35 3.16 3.57 -0.84 0.08 116.94 122.36 1qvn h PHE 124 Ca 0.03 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1qvn h PHE 124 Cb 0.02 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1qvn h PHE 124 CO -0.06 -0.20 0.11 0.00 -2.23 0.00 0.00 178.31 175.93 1qvn h GLN 126 N 0.26 0.22 -0.43 0.00 4.20 -0.71 -1.90 115.11 116.75 1qvn h GLN 126 Ca 0.16 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 1qvn h GLN 126 Cb 0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1qvn h GLN 126 CO -0.17 0.36 -0.15 1.03 -0.67 0.00 0.00 178.83 179.23 1qvn h SER 127 N 0.21 0.88 -0.11 1.46 0.87 -0.52 -2.66 113.55 113.68 1qvn h SER 127 Ca 0.04 -0.38 -0.12 0.00 -1.23 0.00 0.00 61.79 60.10 1qvn h SER 127 Cb 0.36 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1qvn h SER 127 CO 0.02 1.06 -0.40 0.40 -0.53 0.00 0.00 176.83 177.38 1qvn h ILE 128 N 0.69 1.38 -0.52 2.23 1.08 -1.18 -3.15 117.51 118.04 1qvn h ILE 128 Ca 0.10 -1.72 0.08 0.00 -0.39 0.00 0.00 64.86 62.93 1qvn h ILE 128 Cb 0.70 2.15 -0.03 0.00 -3.07 0.00 0.00 36.82 36.58 1qvn h ILE 128 CO 0.05 0.51 0.35 0.40 -0.69 0.00 0.00 178.15 178.77 1qvn h ILE 129 N 0.06 0.92 -0.32 -0.67 2.04 -1.41 -1.47 117.51 116.65 1qvn h ILE 129 Ca -0.02 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1qvn h ILE 129 Cb 1.03 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1qvn h ILE 129 CO 0.08 0.07 0.07 -1.28 0.00 0.00 0.00 178.15 177.09 1qvn h SER 130 N 0.36 0.43 0.25 1.72 0.87 -1.43 -2.31 113.55 113.43 1qvn h SER 130 Ca 0.23 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1qvn h SER 130 Cb 0.46 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1qvn h SER 130 CO -0.06 0.45 0.00 0.35 -0.53 0.00 0.00 176.83 177.04 1qvn n THR 131 N -4.35 0.17 -1.61 2.23 -2.24 -0.56 -5.12 114.28 102.80 1qvn n THR 131 Ca 0.02 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1qvn n THR 131 Cb 0.18 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1qvn n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50