#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 0.18 -0.36 4.04 0.87 -2.06 -3.02 113.55 113.21 1qvn h SER 5 Ca 0.00 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.32 1qvn h SER 5 Cb 0.00 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1qvn h SER 5 CO 0.00 0.57 -0.41 -1.28 -0.53 0.00 0.00 176.83 175.18 1qvn h SER 6 N 0.15 0.98 0.32 6.23 0.87 -2.06 -3.06 113.55 116.98 1qvn h SER 6 Ca 0.01 -0.46 -0.16 0.00 -1.23 0.00 0.00 61.79 59.95 1qvn h SER 6 Cb 0.78 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1qvn h SER 6 CO 0.06 1.26 -0.65 0.74 -0.53 0.00 0.00 176.83 177.70 1qvn h THR 7 N 0.74 1.39 -0.19 2.23 2.02 -1.99 -2.94 112.91 114.17 1qvn h THR 7 Ca 0.05 -2.05 -0.10 0.00 0.77 0.00 0.00 66.41 65.08 1qvn h THR 7 Cb 1.00 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 1qvn h THR 7 CO 0.10 0.61 -0.32 0.50 0.37 0.00 0.00 175.52 176.78 1qvn h LYS 8 N 0.22 0.39 -0.50 6.66 1.63 -1.56 -0.50 116.57 122.92 1qvn h LYS 8 Ca -0.01 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.56 1qvn h LYS 8 Cb 1.19 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 1qvn h LYS 8 CO 0.11 0.67 0.07 -0.22 -3.45 0.00 0.00 179.45 176.63 1qvn h LYS 9 N 0.34 0.83 -0.55 1.90 3.64 -1.48 -1.38 116.57 119.87 1qvn h LYS 9 Ca 0.04 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 1qvn h LYS 9 Cb 0.73 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1qvn h LYS 9 CO 0.06 0.83 0.16 1.15 -2.27 0.00 0.00 179.45 179.38 1qvn h THR 10 N 0.71 1.22 -0.60 1.00 2.02 -1.31 0.49 112.91 116.45 1qvn h THR 10 Ca 0.15 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1qvn h THR 10 Cb 0.41 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1qvn h THR 10 CO 0.01 0.29 0.24 -0.61 0.37 0.00 0.00 175.52 175.82 1qvn h GLN 11 N 0.81 0.89 -0.11 6.66 4.15 -0.85 -2.13 115.11 124.53 1qvn h GLN 11 Ca 0.18 -0.16 -0.19 0.00 0.77 0.00 0.00 58.65 59.25 1qvn h GLN 11 Cb 0.26 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1qvn h GLN 11 CO -0.01 0.76 -0.71 -0.07 -1.93 0.00 0.00 178.83 176.88 1qvn h LEU 12 N 0.83 0.60 -0.46 -2.39 3.38 -0.95 -2.28 115.31 114.05 1qvn h LEU 12 Ca 0.20 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1qvn h LEU 12 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1qvn h LEU 12 CO -0.02 1.13 0.26 1.56 0.09 0.00 0.00 178.44 181.47 1qvn h GLN 13 N 0.36 0.63 -0.36 1.13 4.20 -0.80 -0.43 115.11 119.83 1qvn h GLN 13 Ca -0.03 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 1qvn h GLN 13 Cb 1.29 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1qvn h GLN 13 CO 0.13 0.49 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.45 1qvn h LEU 14 N 0.61 0.76 -1.10 1.46 3.38 -1.41 -2.16 115.31 116.84 1qvn h LEU 14 Ca 0.16 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1qvn h LEU 14 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1qvn h LEU 14 CO -0.03 0.98 -0.15 -0.33 0.09 0.00 0.00 178.44 179.00 1qvn h GLU 15 N 0.64 0.46 -0.08 1.13 5.08 -1.10 -0.92 114.58 119.79 1qvn h GLU 15 Ca 0.08 -0.14 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 1qvn h GLU 15 Cb 0.76 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1qvn h GLU 15 CO 0.06 0.61 -0.82 1.25 -1.00 0.00 0.00 179.01 179.10 1qvn h HIS 16 N 0.43 0.98 -0.64 4.33 2.76 -0.97 -2.30 115.15 119.74 1qvn h HIS 16 Ca 0.08 -0.48 -0.04 0.00 -2.20 0.00 0.00 60.37 57.73 1qvn h HIS 16 Cb 0.51 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1qvn h HIS 16 CO 0.02 1.31 0.24 1.25 -1.30 0.00 0.00 177.93 179.44 1qvn h LEU 17 N 0.38 0.89 -0.71 0.26 5.85 -1.24 -1.42 115.31 119.32 1qvn h LEU 17 Ca -0.08 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1qvn h LEU 17 Cb 1.47 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1qvn h LEU 17 CO 0.17 0.83 0.04 0.25 -0.34 0.00 0.00 178.44 179.39 1qvn h LEU 18 N 0.90 1.00 -0.68 2.25 5.85 -1.22 -2.04 115.31 121.37 1qvn h LEU 18 Ca 0.21 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1qvn h LEU 18 Cb 0.23 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1qvn h LEU 18 CO -0.01 1.02 0.11 0.25 -0.34 0.00 0.00 178.44 179.47 1qvn h LEU 19 N 0.95 1.08 -0.51 2.25 6.46 -1.22 -0.75 115.31 123.57 1qvn h LEU 19 Ca 0.18 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1qvn h LEU 19 Cb 0.49 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1qvn h LEU 19 CO 0.02 1.06 0.20 0.44 -0.62 0.00 0.00 178.44 179.54 1qvn h ASP 20 N 1.05 0.71 0.01 1.25 3.32 -1.08 0.19 116.42 121.87 1qvn h ASP 20 Ca 0.21 -0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1qvn h ASP 20 Cb 0.44 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1qvn h ASP 20 CO 0.01 0.70 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.87 1qvn h LEU 21 N 0.69 0.43 -1.04 1.55 3.38 -1.26 -2.07 115.31 116.99 1qvn h LEU 21 Ca 0.17 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1qvn h LEU 21 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qvn h LEU 21 CO -0.01 0.71 -0.28 1.56 0.09 0.00 0.00 178.44 180.52 1qvn h GLN 22 N 0.38 0.35 -0.16 1.13 4.20 -0.85 -2.40 115.11 117.75 1qvn h GLN 22 Ca 0.05 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 1qvn h GLN 22 Cb 0.70 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1qvn h GLN 22 CO 0.05 0.60 -0.55 0.52 -0.67 0.00 0.00 178.83 178.78 1qvn h MET 23 N 0.31 0.49 -0.19 1.46 2.86 -0.53 -2.19 114.93 117.13 1qvn h MET 23 Ca 0.04 -0.31 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 1qvn h MET 23 Cb 0.65 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1qvn h MET 23 CO 0.05 0.91 -0.14 0.82 1.06 0.00 0.00 176.91 179.61 1qvn h ILE 24 N 0.37 1.32 -0.50 -1.22 2.04 -1.29 -3.14 117.51 115.09 1qvn h ILE 24 Ca 0.01 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 1qvn h ILE 24 Cb 1.08 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 1qvn h ILE 24 CO 0.10 0.38 0.10 0.25 0.00 0.00 0.00 178.15 178.98 1qvn h LEU 25 N 0.10 0.77 -0.93 1.44 5.85 -1.42 -2.17 115.31 118.95 1qvn h LEU 25 Ca 0.04 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1qvn h LEU 25 Cb 0.66 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1qvn h LEU 25 CO 0.04 0.82 0.61 -1.13 -0.34 0.00 0.00 178.44 178.44 1qvn h ASN 26 N 0.69 1.02 -0.18 1.25 -1.24 -1.48 -0.85 115.58 114.78 1qvn h ASN 26 Ca 0.15 -0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.04 1qvn h ASN 26 Cb 0.36 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1qvn h ASN 26 CO 0.01 0.70 -0.27 1.23 -1.29 0.00 0.00 177.43 177.81 1qvn h GLY 27 N 1.18 0.71 1.78 1.57 0.00 -1.47 -2.75 103.07 104.10 1qvn h GLY 27 Ca 0.37 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1qvn h GLY 27 CO -0.11 0.57 -0.24 -2.22 0.00 0.00 0.00 176.54 174.54 1qvn h ILE 28 N 0.57 1.23 -0.03 2.60 2.04 -0.77 -2.68 117.51 120.48 1qvn h ILE 28 Ca 0.07 -1.09 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 1qvn h ILE 28 Cb 0.75 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1qvn h ILE 28 CO 0.06 0.33 -0.51 0.78 0.00 0.00 0.00 178.15 178.82 1qvn h ASN 29 N 0.24 0.07 0.66 1.72 2.35 -0.95 -2.99 115.58 116.68 1qvn h ASN 29 Ca 0.04 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qvn h ASN 29 Cb 0.55 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1qvn h ASN 29 CO 0.04 0.57 0.00 0.59 -1.65 0.00 0.00 177.43 176.98 1qvn n ASN 30 N -3.94 0.10 -4.77 5.81 4.13 -1.01 -4.83 115.26 110.75 1qvn n ASN 30 Ca -0.02 0.52 -0.41 0.00 1.68 0.00 0.00 54.58 56.36 1qvn n ASN 30 Cb 0.53 -0.54 -0.01 0.00 -1.54 0.00 0.00 39.78 38.22 1qvn n ASN 30 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1qvn s TYR 31 N -3.04 2.74 0.72 3.10 2.02 -1.13 -4.99 117.35 116.77 1qvn s TYR 31 Ca 0.08 1.23 -0.14 0.00 -0.37 0.00 0.00 57.07 57.87 1qvn s TYR 31 Cb 0.11 -3.92 0.03 0.00 -0.40 0.00 0.00 41.96 37.79 1qvn s TYR 31 CO 0.34 -2.66 1.14 0.15 -1.57 0.00 0.00 175.55 172.96 1qvn s LYS 32 N -1.93 2.33 0.23 -0.62 1.02 -1.26 -4.61 119.74 114.91 1qvn s LYS 32 Ca 0.52 1.51 -0.14 0.00 0.02 0.00 0.00 55.97 57.87 1qvn s LYS 32 Cb -0.44 -1.88 0.28 0.00 -0.52 0.00 0.00 37.83 35.26 1qvn s LYS 32 CO 0.59 -1.63 1.58 -0.97 -0.92 0.00 0.00 175.35 174.00 1qvn h ASN 33 N -0.40 -1.02 -0.61 2.83 -1.24 -1.97 0.67 115.58 113.84 1qvn h ASN 33 Ca -0.46 0.26 0.09 0.00 0.71 0.00 0.00 56.30 56.89 1qvn h ASN 33 Cb 1.26 0.59 -0.07 0.00 0.73 0.00 0.00 38.32 40.83 1qvn h ASN 33 CO 0.51 -0.29 0.26 -0.65 -1.29 0.00 0.00 177.43 175.97 1qvn h PRO 34 N -0.04 0.45 -0.54 6.67 0.11 -2.00 -1.35 132.00 135.30 1qvn h PRO 34 Ca 0.35 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.39 1qvn h PRO 34 Cb 0.60 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1qvn h PRO 34 CO -0.85 0.30 0.17 0.87 -0.21 0.00 0.00 178.00 178.28 1qvn h LYS 35 N 0.46 0.83 -0.42 1.05 1.79 -1.29 -3.18 116.57 115.82 1qvn h LYS 35 Ca 0.30 -0.18 -0.12 0.00 -2.18 0.00 0.00 60.65 58.47 1qvn h LYS 35 Cb 0.34 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1qvn h LYS 35 CO -0.27 0.76 -0.23 1.25 -1.08 0.00 0.00 179.45 179.88 1qvn h LEU 36 N 0.74 0.92 -0.71 2.94 5.85 -0.82 -2.39 115.31 121.84 1qvn h LEU 36 Ca 0.17 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1qvn h LEU 36 Cb 0.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1qvn h LEU 36 CO -0.01 1.13 0.37 0.74 -0.34 0.00 0.00 178.44 180.33 1qvn h THR 37 N 0.71 1.23 -0.01 1.05 2.02 -1.26 -1.17 112.91 115.48 1qvn h THR 37 Ca 0.09 -0.60 -0.19 0.00 0.77 0.00 0.00 66.41 66.49 1qvn h THR 37 Cb 0.80 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1qvn h THR 37 CO 0.07 0.26 -0.83 0.03 0.37 0.00 0.00 175.52 175.41 1qvn h ARG 38 N 0.99 0.17 -0.55 6.66 2.47 -1.58 -3.19 114.38 119.34 1qvn h ARG 38 Ca 0.25 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1qvn h ARG 38 Cb 0.07 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 1qvn h ARG 38 CO -0.04 0.90 0.23 0.52 0.56 0.00 0.00 179.97 182.14 1qvn h MET 39 N 0.10 0.80 0.00 0.04 2.86 -0.99 -2.81 114.93 114.92 1qvn h MET 39 Ca -0.03 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1qvn h MET 39 Cb 1.44 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1qvn h MET 39 CO 0.12 0.65 0.00 1.28 1.06 0.00 0.00 176.91 180.02 1qvn n LEU 40 N -4.34 0.00 0.13 1.22 4.77 -0.48 -2.66 117.00 115.65 1qvn n LEU 40 Ca 0.05 0.27 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1qvn n LEU 40 Cb 0.16 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1qvn n LEU 40 CO 0.38 -0.05 0.37 0.71 -1.33 0.00 0.00 177.39 177.47 1qvn h THR 41 N 0.00 0.00 -2.73 -5.08 1.35 -1.58 -3.44 112.91 101.42 1qvn h THR 41 Ca 0.00 -0.89 -0.57 0.00 -0.55 0.00 0.00 66.41 64.40 1qvn h THR 41 Cb 0.22 1.59 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 1qvn h THR 41 CO 0.00 0.00 1.22 0.12 -0.25 0.00 0.00 175.52 176.61 1qvn s PHE 42 N -3.27 1.92 -0.00 4.73 2.19 -1.09 -4.97 117.98 117.49 1qvn s PHE 42 Ca 0.04 0.58 -0.18 0.00 0.33 0.00 0.00 56.93 57.70 1qvn s PHE 42 Cb 0.09 -4.10 -0.06 0.00 -1.31 0.00 0.00 43.02 37.64 1qvn s PHE 42 CO 0.73 -2.94 0.51 0.15 1.83 0.00 0.00 175.22 175.50 1qvn s LYS 43 N 5.29 4.18 0.03 10.12 -0.14 -1.26 -3.94 119.74 134.03 1qvn s LYS 43 Ca 0.76 0.59 0.09 0.00 -1.36 0.00 0.00 55.97 56.05 1qvn s LYS 43 Cb -0.23 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.60 1qvn s LYS 43 CO 0.33 0.50 -0.25 -0.06 -0.76 0.00 0.00 175.35 175.10 1qvn s PHE 44 N -0.54 2.23 0.36 3.18 0.08 0.83 -4.92 117.98 119.19 1qvn s PHE 44 Ca 0.27 -0.41 -0.25 0.00 0.12 0.00 0.00 56.93 56.66 1qvn s PHE 44 Cb -0.18 -1.35 -0.09 0.00 -0.57 0.00 0.00 43.02 40.83 1qvn s PHE 44 CO 0.15 0.09 1.01 0.71 -0.10 0.00 0.00 175.22 177.08 1qvn s TYR 45 N -0.76 3.48 0.07 0.36 2.02 -1.26 -1.45 117.35 119.80 1qvn s TYR 45 Ca 0.11 1.71 0.09 0.00 -0.37 0.00 0.00 57.07 58.61 1qvn s TYR 45 Cb -0.10 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.38 1qvn s TYR 45 CO 0.01 -0.26 -0.25 -1.64 -1.57 0.00 0.00 175.55 171.84 1qvn s MET 46 N -2.22 1.75 0.48 -0.62 -1.94 -1.26 -4.94 119.30 110.55 1qvn s MET 46 Ca 0.53 -1.15 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 1qvn s MET 46 Cb -0.21 -2.00 -0.07 0.00 2.01 0.00 0.00 34.83 34.56 1qvn s MET 46 CO 0.27 0.50 1.17 -1.25 -0.01 0.00 0.00 175.02 175.70 1qvn s PRO 47 N -1.47 3.64 -0.01 2.03 0.04 -1.26 -0.91 135.00 137.05 1qvn s PRO 47 Ca 0.13 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 1qvn s PRO 47 Cb -0.10 -2.31 -0.20 0.00 0.04 0.00 0.00 34.50 31.92 1qvn s PRO 47 CO 0.04 -0.65 1.16 1.57 0.04 0.00 0.00 177.00 179.15 1qvn h LYS 48 N 1.84 0.28 -4.63 4.56 -0.00 -1.02 -3.38 116.57 114.21 1qvn h LYS 48 Ca -0.50 -0.23 -0.49 0.00 -0.00 0.00 0.00 60.65 59.43 1qvn h LYS 48 Cb 1.25 0.05 -0.33 0.00 -0.00 0.00 0.00 32.23 33.21 1qvn h LYS 48 CO 0.59 0.88 -0.81 0.21 -0.00 0.00 0.00 179.45 180.33 1qvn s LYS 49 N -3.57 1.48 -0.48 0.07 2.20 -1.26 -4.94 119.74 113.23 1qvn s LYS 49 Ca -0.15 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.12 1qvn s LYS 49 Cb 0.03 -1.27 0.18 0.00 -1.51 0.00 0.00 37.83 35.26 1qvn s LYS 49 CO 0.76 0.07 0.41 0.00 -0.36 0.00 0.00 175.35 176.23 1qvn n ALA 50 N 3.62 2.99 0.00 3.13 0.00 -1.26 -4.87 120.51 124.11 1qvn n ALA 50 Ca -0.21 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1qvn n ALA 50 Cb 0.52 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 2.42 0.00 -4.54 0.00 -2.24 -1.26 -4.95 114.28 103.71 1qvn n THR 51 Ca 0.27 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.78 1qvn n THR 51 Cb 0.45 0.08 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.33 1.92 0.30 -0.78 2.02 -1.26 -4.93 118.70 114.63 1qvn s GLU 52 Ca 0.00 -1.99 0.10 0.00 0.02 0.00 0.00 54.97 53.10 1qvn s GLU 52 Cb 0.00 -1.71 0.46 0.00 0.10 0.00 0.00 34.13 32.98 1qvn s GLU 52 CO 0.00 0.05 1.68 -0.07 0.02 0.00 0.00 175.26 176.94 1qvn h LEU 53 N 1.87 0.06 -2.02 1.80 3.38 -1.98 -3.06 115.31 115.36 1qvn h LEU 53 Ca -0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1qvn h LEU 53 Cb 1.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1qvn h LEU 53 CO 0.74 0.57 -0.06 0.07 0.09 0.00 0.00 178.44 179.86 1qvn h LYS 54 N 0.04 0.00 0.00 1.13 2.10 -1.92 -2.58 116.57 115.34 1qvn h LYS 54 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qvn h LYS 54 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1qvn h LYS 54 CO 0.07 0.06 0.00 0.72 -2.00 0.00 0.00 179.45 178.30 1qvn n HIS 55 N -3.33 0.00 0.33 0.07 8.25 -1.16 -3.10 115.22 116.28 1qvn n HIS 55 Ca -0.01 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.55 1qvn n HIS 55 Cb 0.22 -0.17 0.47 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.17 0.53 0.24 2.41 4.77 -0.97 -2.32 117.00 120.48 1qvn n LEU 56 Ca 0.09 0.66 0.10 0.00 -0.03 0.00 0.00 56.01 56.83 1qvn n LEU 56 Cb 0.10 -0.62 0.61 0.00 -2.33 0.00 0.00 43.42 41.18 1qvn n LEU 56 CO 0.11 -0.61 0.90 1.56 -1.33 0.00 0.00 177.39 178.02 1qvn h GLN 57 N 0.00 0.00 -0.64 3.23 4.20 -1.82 -0.03 115.11 120.06 1qvn h GLN 57 Ca 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1qvn h GLN 57 Cb 0.25 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1qvn h GLN 57 CO 0.00 0.18 0.20 0.00 -0.67 0.00 0.00 178.83 178.54 1qvn h LEU 59 N 0.94 0.80 -0.32 0.00 5.85 -1.47 -3.17 115.31 117.94 1qvn h LEU 59 Ca 0.21 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1qvn h LEU 59 Cb 0.27 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1qvn h LEU 59 CO -0.01 1.29 0.10 -0.08 -0.34 0.00 0.00 178.44 179.40 1qvn h GLU 60 N 0.36 0.22 0.00 1.25 4.81 -0.84 -2.28 114.58 118.10 1qvn h GLU 60 Ca -0.04 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 1qvn h GLU 60 Cb 1.26 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1qvn h GLU 60 CO 0.13 0.15 -0.35 0.93 -0.73 0.00 0.00 179.01 179.14 1qvn h GLU 61 N 0.23 0.00 -0.57 1.92 5.08 -1.40 -2.79 114.58 117.05 1qvn h GLU 61 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 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 -0.16 0.35 0.00 0.39 -1.00 0.00 0.00 179.01 178.59 1qvn n GLU 62 N -4.04 2.57 0.08 2.33 -0.58 -0.89 -4.20 120.64 115.90 1qvn n GLU 62 Ca -0.02 -1.69 -0.10 0.00 -0.42 0.00 0.00 57.16 54.92 1qvn n GLU 62 Cb 0.40 -1.60 -0.10 0.00 -0.57 0.00 0.00 31.44 29.56 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 2.47 0.20 -0.27 -4.62 3.38 -1.17 -3.00 115.31 112.29 1qvn h LEU 63 Ca 0.00 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 1qvn h LEU 63 Cb 0.93 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1qvn h LEU 63 CO 0.13 1.12 -0.47 0.11 0.09 0.00 0.00 178.44 179.41 1qvn h LYS 64 N 0.05 0.80 -0.42 1.13 1.79 -1.79 -1.23 116.57 116.89 1qvn h LYS 64 Ca -0.06 -0.50 -0.04 0.00 -2.18 0.00 0.00 60.65 57.87 1qvn h LYS 64 Cb 1.78 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.46 1qvn h LYS 64 CO 0.16 1.13 0.10 -1.35 -1.08 0.00 0.00 179.45 178.40 1qvn h PRO 65 N 0.56 0.63 -0.61 3.15 0.11 -1.84 -0.01 132.00 133.99 1qvn h PRO 65 Ca 0.02 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1qvn h PRO 65 Cb 1.08 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1qvn h PRO 65 CO 0.11 0.58 0.31 1.25 -0.21 0.00 0.00 178.00 180.04 1qvn h LEU 66 N 0.61 0.79 -0.51 2.35 5.85 -1.37 0.58 115.31 123.61 1qvn h LEU 66 Ca 0.14 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1qvn h LEU 66 Cb 0.24 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1qvn h LEU 66 CO -0.00 0.68 0.04 -0.08 -0.34 0.00 0.00 178.44 178.74 1qvn h GLU 67 N 0.84 0.87 -0.66 1.25 4.81 -1.00 -1.80 114.58 118.89 1qvn h GLU 67 Ca 0.21 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1qvn h GLU 67 Cb 0.09 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1qvn h GLU 67 CO -0.03 0.88 0.29 0.93 -0.73 0.00 0.00 179.01 180.35 1qvn h GLU 68 N 0.74 0.94 -0.28 1.92 5.08 -0.74 -0.74 114.58 121.50 1qvn h GLU 68 Ca 0.15 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1qvn h GLU 68 Cb 0.46 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1qvn h GLU 68 CO 0.02 0.75 -0.29 0.00 -1.00 0.00 0.00 179.01 178.48 1qvn h ALA 69 N 1.39 0.42 0.00 3.43 0.00 -0.73 -2.75 119.26 121.02 1qvn h ALA 69 Ca 0.23 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1qvn h ALA 69 Cb 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qvn h ALA 69 CO -0.03 0.44 -0.19 -0.07 0.00 0.00 0.00 179.25 179.40 1qvn h LEU 70 N 0.44 0.00 -0.62 0.00 3.38 -1.17 -2.65 115.31 114.69 1qvn h LEU 70 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1qvn h LEU 70 Cb 0.86 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1qvn h LEU 70 CO 0.07 0.19 -0.68 0.78 0.09 0.00 0.00 178.44 178.90 1qvn h ASN 71 N 0.00 0.08 -0.25 -0.43 -0.26 -1.09 -3.22 115.58 110.41 1qvn h ASN 71 Ca -0.00 -0.05 -0.15 0.00 -0.56 0.00 0.00 56.30 55.53 1qvn h ASN 71 Cb 0.81 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.04 1qvn h ASN 71 CO 0.03 0.73 -0.41 -0.07 -1.06 0.00 0.00 177.43 176.65 1qvn h LEU 72 N 0.05 0.86 -6.74 1.61 3.38 -1.17 -3.33 115.31 109.97 1qvn h LEU 72 Ca -0.01 -0.40 -0.76 0.00 0.09 0.00 0.00 57.88 56.80 1qvn h LEU 72 Cb 1.20 -0.24 -0.18 0.00 0.09 0.00 0.00 40.66 41.53 1qvn h LEU 72 CO 0.09 1.16 1.73 0.00 0.09 0.00 0.00 178.44 181.51 1qvn n ALA 73 N -2.53 5.08 -1.99 1.53 0.00 -1.07 -5.13 120.51 116.39 1qvn n ALA 73 Ca -0.02 -4.37 -0.42 0.00 0.00 0.00 0.00 53.44 48.63 1qvn n ALA 73 Cb 0.55 -2.91 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 1qvn n ALA 73 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1qvn s GLN 74 N 0.15 4.23 -0.11 0.00 1.11 -1.25 -4.92 119.66 118.87 1qvn s GLN 74 Ca 0.39 2.27 -0.04 0.00 0.01 0.00 0.00 55.36 57.99 1qvn s GLN 74 Cb 0.07 -3.43 -0.03 0.00 -1.01 0.00 0.00 33.01 28.60 1qvn s GLN 74 CO 0.01 -0.64 0.03 0.50 0.01 0.00 0.00 175.29 175.20 1qvn s ARG 81 N 2.01 3.27 0.63 2.91 3.00 -1.26 -5.09 118.95 124.41 1qvn s ARG 81 Ca 0.71 -0.36 0.41 0.00 -1.00 0.00 0.00 55.73 55.48 1qvn s ARG 81 Cb -0.40 -2.93 2.09 0.00 0.00 0.00 0.00 34.95 33.71 1qvn s ARG 81 CO 0.31 0.61 2.25 -1.35 0.00 0.00 0.00 175.30 177.13 1qvn h PRO 82 N 5.49 0.00 -0.14 5.12 0.11 -1.96 -2.17 132.00 138.45 1qvn h PRO 82 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1qvn h PRO 82 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1qvn h PRO 82 CO 0.58 0.01 -0.70 -0.09 -0.21 0.00 0.00 178.00 177.59 1qvn h ARG 83 N 0.00 0.73 0.08 1.05 2.43 -2.00 -2.97 114.38 113.69 1qvn h ARG 83 Ca -0.00 -0.59 -0.27 0.00 -0.81 0.00 0.00 59.98 58.32 1qvn h ARG 83 Cb 0.15 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1qvn h ARG 83 CO 0.00 1.20 -1.29 -0.44 -1.51 0.00 0.00 179.97 177.93 1qvn h ASP 84 N 0.43 0.26 -0.56 -3.80 3.32 -1.92 -2.98 116.42 111.16 1qvn h ASP 84 Ca -0.05 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1qvn h ASP 84 Cb 1.33 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1qvn h ASP 84 CO 0.14 1.25 -0.06 0.25 -1.72 0.00 0.00 179.24 179.11 1qvn h LEU 85 N 0.04 1.02 -0.47 1.55 5.85 -1.50 0.06 115.31 121.86 1qvn h LEU 85 Ca -0.14 -0.33 -0.17 0.00 0.84 0.00 0.00 57.88 58.08 1qvn h LEU 85 Cb 1.93 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1qvn h LEU 85 CO 0.16 1.11 -0.70 0.40 -0.34 0.00 0.00 178.44 179.07 1qvn h ILE 86 N 0.91 1.39 -0.67 4.05 1.08 -1.64 -2.42 117.51 120.21 1qvn h ILE 86 Ca 0.15 -2.14 -0.05 0.00 -0.39 0.00 0.00 64.86 62.43 1qvn h ILE 86 Cb 0.62 2.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 1qvn h ILE 86 CO 0.04 0.64 0.22 -1.28 -0.69 0.00 0.00 178.15 177.08 1qvn h SER 87 N 0.23 0.95 -0.30 1.72 0.87 -1.35 -0.45 113.55 115.21 1qvn h SER 87 Ca -0.02 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1qvn h SER 87 Cb 1.26 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 1qvn h SER 87 CO 0.12 0.88 0.07 0.78 -0.53 0.00 0.00 176.83 178.14 1qvn h ASN 88 N 0.99 0.47 -0.43 6.23 4.21 -0.85 -2.17 115.58 124.03 1qvn h ASN 88 Ca 0.22 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.48 1qvn h ASN 88 Cb 0.27 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 1qvn h ASN 88 CO -0.01 0.59 0.20 0.40 -1.29 0.00 0.00 177.43 177.32 1qvn h ILE 89 N 0.33 1.18 -0.78 2.81 2.04 -1.32 -2.81 117.51 118.96 1qvn h ILE 89 Ca 0.09 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.51 1qvn h ILE 89 Cb 0.31 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1qvn h ILE 89 CO 0.00 0.19 0.51 -1.13 0.00 0.00 0.00 178.15 177.73 1qvn h ASN 90 N 0.55 0.72 -0.03 1.72 -1.24 -0.96 0.55 115.58 116.88 1qvn h ASN 90 Ca 0.15 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1qvn h ASN 90 Cb 0.12 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.02 1qvn h ASN 90 CO -0.02 0.46 0.00 0.58 -1.29 0.00 0.00 177.43 177.16 1qvn h VAL 91 N 0.82 1.23 -0.62 2.57 2.07 -1.23 -1.20 116.25 119.88 1qvn h VAL 91 Ca 0.34 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1qvn h VAL 91 Cb 0.27 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1qvn h VAL 91 CO -0.12 0.18 0.40 0.40 0.02 0.00 0.00 177.57 178.46 1qvn h ILE 92 N -0.22 1.14 -0.05 4.57 1.08 -1.17 -1.07 117.51 121.80 1qvn h ILE 92 Ca 0.01 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1qvn h ILE 92 Cb 0.29 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.29 1qvn h ILE 92 CO 0.00 0.15 0.01 0.58 -0.69 0.00 0.00 178.15 178.20 1qvn h VAL 93 N 0.82 0.98 0.00 1.67 2.07 -0.86 -0.79 116.25 120.14 1qvn h VAL 93 Ca 0.23 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.69 1qvn h VAL 93 Cb -0.07 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1qvn h VAL 93 CO -0.06 0.01 -0.23 -0.07 0.02 0.00 0.00 177.57 177.23 1qvn h LEU 94 N 0.04 0.00 -0.20 2.57 3.38 -1.03 -2.13 115.31 117.94 1qvn h LEU 94 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1qvn h LEU 94 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1qvn h LEU 94 CO -0.03 0.23 -0.77 -0.33 0.09 0.00 0.00 178.44 177.63 1qvn h GLU 95 N 0.00 0.74 0.22 1.13 5.08 -0.81 0.19 114.58 121.13 1qvn h GLU 95 Ca -0.00 -0.60 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1qvn h GLU 95 Cb 0.42 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1qvn h GLU 95 CO 0.03 1.21 -0.11 -0.07 -1.00 0.00 0.00 179.01 179.08 1qvn h LEU 96 N 0.50 -0.25 -0.28 1.33 3.38 -0.80 -3.22 115.31 115.97 1qvn h LEU 96 Ca -0.05 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1qvn h LEU 96 Cb 1.39 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1qvn h LEU 96 CO 0.16 0.21 0.00 2.29 0.09 0.00 0.00 178.44 181.19 1qvn n LYS 97 N -5.02 1.19 -0.99 1.13 2.85 -0.83 -4.95 118.16 111.55 1qvn n LYS 97 Ca -0.09 -0.28 0.00 0.00 -1.05 0.00 0.00 58.31 56.90 1qvn n LYS 97 Cb 0.26 -1.48 0.00 0.00 -0.65 0.00 0.00 35.03 33.16 1qvn n LYS 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1qvn n GLY 98 N 1.04 -3.13 3.63 2.58 0.00 -0.93 -4.83 105.19 103.54 1qvn n GLY 98 Ca 0.22 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1qvn n GLY 98 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qvn s SER 99 N -0.03 1.92 0.00 1.61 0.15 0.63 -3.68 113.70 114.30 1qvn s SER 99 Ca 0.00 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1qvn s SER 99 Cb 0.00 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1qvn s SER 99 CO 0.00 -3.55 0.00 -0.62 1.20 0.00 0.00 173.24 170.27 1qvn n GLU 100 N -4.44 0.00 -3.43 5.44 1.02 -1.26 -4.95 120.64 113.02 1qvn n GLU 100 Ca 0.07 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.83 1qvn n GLU 100 Cb 0.58 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.69 1qvn n GLU 100 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1qvn s THR 101 N -0.24 4.94 -0.08 2.62 2.01 -1.24 -5.09 115.64 118.55 1qvn s THR 101 Ca 0.00 0.92 0.01 0.00 0.31 0.00 0.00 61.69 62.93 1qvn s THR 101 Cb 0.00 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1qvn s THR 101 CO 0.00 0.54 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.48 1qvn s THR 102 N -1.13 1.03 0.03 -0.82 2.01 -1.26 -4.99 115.64 110.50 1qvn s THR 102 Ca 0.27 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1qvn s THR 102 Cb -0.17 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 1qvn s THR 102 CO 0.16 0.34 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.92 1qvn s PHE 103 N 1.07 2.66 -0.44 4.92 0.40 -1.26 -5.09 117.98 120.24 1qvn s PHE 103 Ca -0.07 -0.19 -0.29 0.00 -0.60 0.00 0.00 56.93 55.78 1qvn s PHE 103 Cb -0.14 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.89 1qvn s PHE 103 CO -0.01 0.28 1.30 1.41 0.70 0.00 0.00 175.22 178.91 1qvn s MET 104 N -1.42 3.64 0.13 0.44 1.75 -1.26 -5.00 119.30 117.59 1qvn s MET 104 Ca 0.15 0.80 -0.25 0.00 -1.25 0.00 0.00 55.69 55.14 1qvn s MET 104 Cb -0.11 -3.97 -0.07 0.00 2.84 0.00 0.00 34.83 33.52 1qvn s MET 104 CO 0.06 -1.48 0.78 0.00 -0.65 0.00 0.00 175.02 173.73 1qvn s GLU 106 N -0.82 4.28 0.09 0.00 8.01 -1.26 -5.05 118.70 123.95 1qvn s GLU 106 Ca 0.37 0.35 0.02 0.00 0.01 0.00 0.00 54.97 55.72 1qvn s GLU 106 Cb -0.23 -3.47 -0.04 0.00 -4.31 0.00 0.00 34.13 26.09 1qvn s GLU 106 CO 0.26 0.09 0.17 0.71 0.01 0.00 0.00 175.26 176.50 1qvn s TYR 107 N 0.86 3.36 0.76 1.61 2.02 -1.26 -0.50 117.35 124.20 1qvn s TYR 107 Ca 0.23 0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 56.96 1qvn s TYR 107 Cb -0.15 -1.67 0.04 0.00 -0.40 0.00 0.00 41.96 39.79 1qvn s TYR 107 CO 0.09 0.55 1.09 0.00 -1.57 0.00 0.00 175.55 175.71 1qvn s ALA 108 N -1.54 2.49 -0.03 3.71 0.00 -0.09 -4.52 121.76 121.78 1qvn s ALA 108 Ca 0.33 -0.20 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 1qvn s ALA 108 Cb -0.12 -3.10 -0.18 0.00 0.00 0.00 0.00 23.12 19.73 1qvn s ALA 108 CO 0.26 -1.49 1.09 -0.44 0.00 0.00 0.00 175.76 175.18 1qvn h ASP 109 N -0.91 -0.15 -3.55 0.00 3.32 -1.96 -3.45 116.42 109.71 1qvn h ASP 109 Ca -0.46 -0.38 -0.52 0.00 0.02 0.00 0.00 57.03 55.70 1qvn h ASP 109 Cb 1.25 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1qvn h ASP 109 CO 0.60 0.35 0.46 -0.70 -1.72 0.00 0.00 179.24 178.23 1qvn s GLU 110 N -3.96 4.60 0.48 3.56 2.12 -1.26 -5.05 118.70 119.20 1qvn s GLU 110 Ca -0.14 1.69 -0.07 0.00 0.36 0.00 0.00 54.97 56.80 1qvn s GLU 110 Cb 0.01 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1qvn s GLU 110 CO 0.57 0.08 0.82 0.95 -0.54 0.00 0.00 175.26 177.14 1qvn s THR 111 N -0.18 4.86 0.28 -1.70 -4.23 -1.26 -4.56 115.64 108.84 1qvn s THR 111 Ca 0.49 0.38 0.04 0.00 -1.18 0.00 0.00 61.69 61.42 1qvn s THR 111 Cb -0.29 -3.84 -0.06 0.00 1.34 0.00 0.00 72.50 69.66 1qvn s THR 111 CO 0.34 -0.82 0.03 0.00 -0.54 0.00 0.00 174.62 173.63 1qvn s ALA 112 N -2.73 2.07 0.84 3.99 0.00 -0.53 -4.91 121.76 120.49 1qvn s ALA 112 Ca 0.49 -1.91 -0.12 0.00 0.00 0.00 0.00 51.96 50.42 1qvn s ALA 112 Cb -0.10 0.61 0.10 0.00 0.00 0.00 0.00 23.12 23.73 1qvn s ALA 112 CO 0.43 -0.29 1.19 0.95 0.00 0.00 0.00 175.76 178.05 1qvn s THR 113 N -3.38 2.00 0.44 0.00 -4.23 -1.26 -0.12 115.64 109.09 1qvn s THR 113 Ca 0.33 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.94 1qvn s THR 113 Cb 0.07 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.19 1qvn s THR 113 CO 0.12 0.00 2.07 -0.29 -0.54 0.00 0.00 174.62 175.99 1qvn h ILE 114 N -1.16 1.08 0.02 2.99 2.10 -1.84 0.93 117.51 121.63 1qvn h ILE 114 Ca -0.46 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.29 1qvn h ILE 114 Cb 1.32 0.69 0.00 0.00 -1.09 0.00 0.00 36.82 37.74 1qvn h ILE 114 CO 0.63 0.09 -0.01 0.58 -1.08 0.00 0.00 178.15 178.35 1qvn h VAL 115 N 0.38 1.35 -0.61 2.19 2.07 -1.95 -0.79 116.25 118.89 1qvn h VAL 115 Ca 0.10 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1qvn h VAL 115 Cb -0.01 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1qvn h VAL 115 CO -0.02 0.30 0.28 -0.08 0.02 0.00 0.00 177.57 178.07 1qvn h GLU 116 N -0.54 0.87 0.41 1.57 4.81 -1.91 0.12 114.58 119.91 1qvn h GLU 116 Ca -0.00 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1qvn h GLU 116 Cb 0.51 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1qvn h GLU 116 CO 0.00 0.69 -0.20 0.35 -0.73 0.00 0.00 179.01 179.12 1qvn h PHE 117 N 0.87 -0.53 -0.53 0.92 3.57 -0.76 -2.38 116.94 118.09 1qvn h PHE 117 Ca 0.21 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 1qvn h PHE 117 Cb 0.11 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1qvn h PHE 117 CO 0.01 -0.33 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.56 1qvn h LEU 118 N -0.56 1.05 -0.70 0.59 3.38 -0.95 -3.08 115.31 115.04 1qvn h LEU 118 Ca -0.05 -0.36 0.10 0.00 0.09 0.00 0.00 57.88 57.65 1qvn h LEU 118 Cb 0.43 -0.29 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1qvn h LEU 118 CO 0.08 1.17 0.33 -1.13 0.09 0.00 0.00 178.44 178.99 1qvn h ASN 119 N 0.91 0.42 -0.40 -0.43 -0.73 -0.74 0.10 115.58 114.71 1qvn h ASN 119 Ca 0.13 0.07 0.02 0.00 1.87 0.00 0.00 56.30 58.39 1qvn h ASN 119 Cb 0.72 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.28 1qvn h ASN 119 CO 0.05 0.23 0.24 -0.09 -0.37 0.00 0.00 177.43 177.50 1qvn h ARG 120 N 0.56 0.47 0.01 6.67 9.65 -1.34 -1.68 114.38 128.74 1qvn h ARG 120 Ca 0.35 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 59.00 1qvn h ARG 120 Cb 0.39 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1qvn h ARG 120 CO -0.29 0.31 -0.92 -1.49 2.80 0.00 0.00 179.97 180.39 1qvn h TRP 121 N 0.49 0.21 -0.50 2.20 4.06 -1.35 -0.30 115.95 120.76 1qvn h TRP 121 Ca 0.16 -0.13 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 1qvn h TRP 121 Cb -0.00 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 1qvn h TRP 121 CO -0.07 0.98 0.16 0.82 -3.56 0.00 0.00 178.44 176.76 1qvn h ILE 122 N 0.07 1.23 -0.29 1.49 2.04 -0.75 -1.70 117.51 119.59 1qvn h ILE 122 Ca -0.04 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1qvn h ILE 122 Cb 1.57 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1qvn h ILE 122 CO 0.13 0.28 0.02 0.74 0.00 0.00 0.00 178.15 179.32 1qvn h THR 123 N 0.68 1.25 -0.46 -0.27 2.02 -1.24 -2.85 112.91 112.04 1qvn h THR 123 Ca 0.16 -0.89 0.09 0.00 0.77 0.00 0.00 66.41 66.54 1qvn h THR 123 Cb 0.28 1.25 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 1qvn h THR 123 CO -0.00 0.29 -0.12 0.15 0.37 0.00 0.00 175.52 176.21 1qvn h PHE 124 N 0.31 -0.25 -0.79 3.16 3.57 -0.94 -0.03 116.94 121.97 1qvn h PHE 124 Ca 0.09 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1qvn h PHE 124 Cb 0.40 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 1qvn h PHE 124 CO 0.03 -0.20 0.48 0.00 -2.23 0.00 0.00 178.31 176.39 1qvn h GLN 126 N 0.89 0.26 -0.40 0.00 4.20 -1.08 -1.49 115.11 117.48 1qvn h GLN 126 Ca 0.34 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1qvn h GLN 126 Cb 0.14 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1qvn h GLN 126 CO -0.16 0.58 -0.15 1.03 -0.67 0.00 0.00 178.83 179.46 1qvn h SER 127 N 0.22 0.82 0.09 1.46 0.87 -0.21 -2.59 113.55 114.21 1qvn h SER 127 Ca 0.03 -0.39 -0.20 0.00 -1.23 0.00 0.00 61.79 60.00 1qvn h SER 127 Cb 0.73 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1qvn h SER 127 CO 0.06 1.02 -0.74 0.40 -0.53 0.00 0.00 176.83 177.04 1qvn h ILE 128 N 0.62 1.34 -0.84 2.23 1.08 -1.23 -3.20 117.51 117.51 1qvn h ILE 128 Ca 0.10 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 1qvn h ILE 128 Cb 0.69 2.04 -0.04 0.00 -3.07 0.00 0.00 36.82 36.44 1qvn h ILE 128 CO 0.05 0.63 0.53 0.40 -0.69 0.00 0.00 178.15 179.07 1qvn h ILE 129 N 0.39 1.22 -0.07 -0.67 2.04 -1.27 -2.88 117.51 116.27 1qvn h ILE 129 Ca -0.04 -0.45 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 1qvn h ILE 129 Cb 1.33 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1qvn h ILE 129 CO 0.14 0.23 -0.43 0.77 0.00 0.00 0.00 178.15 178.86 1qvn h SER 130 N 1.14 0.18 1.04 1.72 4.64 -1.46 -2.90 113.55 117.90 1qvn h SER 130 Ca 0.30 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1qvn h SER 130 Cb -0.09 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 1qvn h SER 130 CO -0.06 0.58 -0.32 0.71 -0.87 0.00 0.00 176.83 176.87 1qvn h THR 131 N 0.14 0.70 0.00 2.95 1.35 -1.51 -3.52 112.91 113.02 1qvn h THR 131 Ca 0.01 -1.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 1qvn h THR 131 Cb 0.81 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1qvn h THR 131 CO 0.06 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 175.65