#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqn n TYR 3 N 0.00 -2.93 -0.03 1.43 4.01 -1.26 -4.71 117.16 113.67 1pqn n TYR 3 Ca 0.00 1.02 -0.01 0.00 -0.16 0.00 0.00 57.90 58.75 1pqn n TYR 3 Cb 0.00 -1.76 -0.00 0.00 -0.31 0.00 0.00 39.34 37.26 1pqn n TYR 3 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 1pqn h MET 4 N 0.00 0.00 -5.66 -0.72 4.05 -2.07 -3.45 114.93 107.08 1pqn h MET 4 Ca 0.02 0.00 -0.59 0.00 -0.28 0.00 0.00 59.70 58.85 1pqn h MET 4 Cb 0.75 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.52 1pqn h MET 4 CO 0.01 0.00 1.55 1.28 0.23 0.00 0.00 176.91 179.97 1pqn n LEU 5 N -3.20 1.66 -4.70 3.39 7.99 -1.26 -4.86 117.00 116.02 1pqn n LEU 5 Ca -0.02 0.15 -0.44 0.00 -0.01 0.00 0.00 56.01 55.70 1pqn n LEU 5 Cb 0.07 -1.24 -0.02 0.00 -0.11 0.00 0.00 43.42 42.11 1pqn n LEU 5 CO 0.03 -0.93 1.11 -2.65 -1.51 0.00 0.00 177.39 173.43 1pqn n PRO 6 N 8.43 2.29 -1.40 3.23 -0.02 -1.26 -4.80 135.00 141.46 1pqn n PRO 6 Ca 0.47 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 1pqn n PRO 6 Cb 0.24 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 1pqn n PRO 6 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pqn n HIS 7 N 2.07 -1.40 -3.65 6.00 8.25 -1.26 -2.45 115.22 122.79 1pqn n HIS 7 Ca 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.55 1pqn n HIS 7 Cb 0.33 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 1pqn n HIS 7 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1pqn s LEU 8 N 0.00 -0.18 -0.45 2.41 2.96 -0.75 -4.72 118.68 117.95 1pqn s LEU 8 Ca 0.00 0.31 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 1pqn s LEU 8 Cb 0.00 1.30 0.20 0.00 0.50 0.00 0.00 46.19 48.19 1pqn s LEU 8 CO 0.00 -0.05 0.59 1.41 -1.32 0.00 0.00 176.35 176.98 1pqn n HIS 9 N 2.65 -2.11 -3.65 5.38 8.25 -1.26 -4.44 115.22 120.04 1pqn n HIS 9 Ca -0.15 -2.51 -0.01 0.00 -0.26 0.00 0.00 57.72 54.79 1pqn n HIS 9 Cb 0.57 0.74 -0.07 0.00 1.12 0.00 0.00 29.99 32.35 1pqn n HIS 9 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1pqn s ASN 10 N -0.25 -0.09 0.51 0.41 3.04 -1.26 -4.75 114.94 112.56 1pqn s ASN 10 Ca 0.32 0.15 0.17 0.00 0.04 0.00 0.00 52.86 53.55 1pqn s ASN 10 Cb 0.09 0.52 1.25 0.00 -1.54 0.00 0.00 41.25 41.56 1pqn s ASN 10 CO -0.15 -0.03 2.09 1.23 -3.04 0.00 0.00 177.10 177.21 1pqn h GLY 11 N 4.04 0.09 1.32 1.21 0.00 -1.94 0.41 103.07 108.20 1pqn h GLY 11 Ca -0.27 -0.03 -0.23 0.00 0.00 0.00 0.00 47.33 46.80 1pqn h GLY 11 CO 0.20 0.03 -0.89 1.49 0.00 0.00 0.00 176.54 177.36 1pqn h TRP 12 N 0.08 0.90 0.06 5.60 -0.00 -1.97 -0.47 115.95 120.15 1pqn h TRP 12 Ca 0.09 -0.45 -0.25 0.00 -0.00 0.00 0.00 58.89 58.29 1pqn h TRP 12 Cb 0.27 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.32 1pqn h TRP 12 CO -0.00 1.27 -1.07 1.96 -0.00 0.00 0.00 178.44 180.60 1pqn h GLN 13 N 0.40 0.36 0.13 0.49 4.20 -1.72 -2.62 115.11 116.35 1pqn h GLN 13 Ca -0.08 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 1pqn h GLN 13 Cb 1.53 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.46 1pqn h GLN 13 CO 0.17 1.16 -0.06 0.28 -0.67 0.00 0.00 178.83 179.71 1pqn h VAL 14 N 0.16 0.89 -0.02 -0.54 2.07 -0.28 0.38 116.25 118.92 1pqn h VAL 14 Ca -0.11 -1.23 0.01 0.00 0.82 0.00 0.00 66.70 66.19 1pqn h VAL 14 Cb 1.75 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1pqn h VAL 14 CO 0.18 0.24 0.02 0.44 0.02 0.00 0.00 177.57 178.47 1pqn h ASP 15 N -0.88 0.00 0.32 0.57 5.19 -1.22 -1.34 116.42 119.07 1pqn h ASP 15 Ca -0.02 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.07 1pqn h ASP 15 Cb 0.53 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 1pqn h ASP 15 CO 0.03 0.00 -1.84 1.67 -3.12 0.00 0.00 179.24 175.99 1pqn n GLN 16 N -4.11 0.69 -0.23 3.56 7.27 -0.99 -4.05 117.38 119.52 1pqn n GLN 16 Ca -0.03 0.28 -0.07 0.00 0.07 0.00 0.00 57.00 57.26 1pqn n GLN 16 Cb 0.11 -1.76 0.04 0.00 2.41 0.00 0.00 30.24 31.03 1pqn n GLN 16 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pqn h ALA 17 N 0.57 0.85 -0.81 1.69 0.00 0.45 0.86 119.26 122.86 1pqn h ALA 17 Ca -0.35 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.42 1pqn h ALA 17 Cb 2.02 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1pqn h ALA 17 CO 0.09 0.52 0.49 0.97 0.00 0.00 0.00 179.25 181.32 1pqn h ILE 18 N 0.94 1.02 0.00 0.00 2.10 -1.44 -2.26 117.51 117.87 1pqn h ILE 18 Ca 0.21 -0.31 -0.01 0.00 1.08 0.00 0.00 64.86 65.83 1pqn h ILE 18 Cb 0.28 0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.05 1pqn h ILE 18 CO -0.01 0.16 -1.03 -0.11 -1.08 0.00 0.00 178.15 176.08 1pqn n LEU 19 N -4.66 0.86 -1.96 2.19 0.00 -1.09 -4.13 117.00 108.21 1pqn n LEU 19 Ca 0.12 0.33 -0.18 0.00 0.00 0.00 0.00 56.01 56.28 1pqn n LEU 19 Cb 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 43.42 43.59 1pqn n LEU 19 CO 0.30 -0.16 1.26 -1.20 0.00 0.00 0.00 177.39 177.58 1pqn n SER 20 N -2.70 6.55 0.37 1.96 7.64 0.30 -4.57 113.62 123.17 1pqn n SER 20 Ca -0.01 -3.12 -0.15 0.00 1.01 0.00 0.00 58.87 56.61 1pqn n SER 20 Cb 0.57 -1.06 -0.07 0.00 -1.01 0.00 0.00 64.21 62.64 1pqn n SER 20 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1pqn h GLU 21 N 1.60 -0.93 -5.20 1.43 5.08 -1.70 -3.47 114.58 111.39 1pqn h GLU 21 Ca 0.32 0.06 -0.41 0.00 -1.00 0.00 0.00 59.36 58.33 1pqn h GLU 21 Cb 0.89 0.21 0.03 0.00 0.50 0.00 0.00 28.75 30.39 1pqn h GLU 21 CO 0.82 -0.62 -0.63 -1.91 -1.00 0.00 0.00 179.01 175.66 1pqn n GLU 22 N -5.07 -5.22 0.00 2.33 2.13 -1.26 -4.71 120.64 108.83 1pqn n GLU 22 Ca -0.12 0.76 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1pqn n GLU 22 Cb 0.38 -5.63 0.00 0.00 0.27 0.00 0.00 31.44 26.46 1pqn n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1pqn n ASP 23 N -2.61 0.00 0.00 4.31 8.00 -1.26 -5.03 116.55 119.96 1pqn n ASP 23 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1pqn n ASP 23 Cb 0.58 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1pqn n ASP 23 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pqn n ARG 24 N -1.82 0.00 -1.26 -1.24 3.00 0.25 -4.83 116.66 110.77 1pqn n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1pqn n ARG 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1pqn n ARG 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1pqn n VAL 25 N -1.19 0.00 -3.64 1.55 3.14 -1.07 -4.61 118.33 112.51 1pqn n VAL 25 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1pqn n VAL 25 Cb 0.00 -0.08 -0.07 0.00 -1.06 0.00 0.00 33.84 32.63 1pqn n VAL 25 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1pqn s VAL 26 N -0.18 0.00 0.03 1.55 0.11 -0.65 -2.59 120.40 118.67 1pqn s VAL 26 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1pqn s VAL 26 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1pqn s VAL 26 CO 0.00 0.00 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.07 1pqn s VAL 27 N 1.13 4.04 -0.04 2.04 1.01 -1.07 0.23 120.40 127.73 1pqn s VAL 27 Ca -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1pqn s VAL 27 Cb -0.05 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1pqn s VAL 27 CO -0.13 0.31 0.10 -0.63 0.00 0.00 0.00 175.10 174.74 1pqn s ILE 28 N -1.14 -0.03 -0.07 2.22 1.09 0.80 0.22 121.20 124.30 1pqn s ILE 28 Ca 0.21 0.11 0.03 0.00 -1.10 0.00 0.00 60.65 59.90 1pqn s ILE 28 Cb -0.11 -0.16 -0.02 0.00 -1.06 0.00 0.00 42.46 41.11 1pqn s ILE 28 CO 0.12 0.05 -0.17 -0.60 -0.10 0.00 0.00 174.94 174.24 1pqn s ARG 29 N 0.68 2.73 -0.15 2.79 3.52 -1.07 -0.49 118.95 126.96 1pqn s ARG 29 Ca -0.05 -0.75 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1pqn s ARG 29 Cb -0.07 -2.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 1pqn s ARG 29 CO -0.03 0.46 -0.21 -0.06 -0.81 0.00 0.00 175.30 174.66 1pqn s PHE 30 N -0.33 2.70 0.00 5.12 0.08 -0.63 -0.18 117.98 124.74 1pqn s PHE 30 Ca 0.02 -1.34 0.00 0.00 0.12 0.00 0.00 56.93 55.73 1pqn s PHE 30 Cb -0.13 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1pqn s PHE 30 CO 0.02 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 174.93 1pqn n GLY 31 N 4.15 -0.79 3.24 4.36 0.00 -0.79 -2.50 105.19 112.86 1pqn n GLY 31 Ca -0.20 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 1pqn n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pqn s HIS 32 N -2.29 1.54 0.35 1.61 0.09 -1.26 0.93 115.29 116.26 1pqn s HIS 32 Ca 0.00 -0.44 0.02 0.00 -0.00 0.00 0.00 55.06 54.64 1pqn s HIS 32 Cb 0.00 -0.85 0.63 0.00 -0.00 0.00 0.00 32.58 32.36 1pqn s HIS 32 CO 0.00 0.14 2.00 0.22 -0.00 0.00 0.00 174.74 177.10 1pqn h ASP 33 N 4.14 0.70 -0.98 1.40 1.82 -1.99 -1.72 116.42 119.78 1pqn h ASP 33 Ca -0.44 -0.03 -0.53 0.00 -0.39 0.00 0.00 57.03 55.64 1pqn h ASP 33 Cb 1.19 -0.18 -0.30 0.00 0.68 0.00 0.00 39.33 40.72 1pqn h ASP 33 CO 0.40 0.53 0.67 -2.67 -1.61 0.00 0.00 179.24 176.56 1pqn n TRP 34 N -4.42 3.05 -3.21 0.28 2.14 -1.26 -4.94 117.44 109.08 1pqn n TRP 34 Ca 0.06 -2.00 -0.39 0.00 2.07 0.00 0.00 57.50 57.24 1pqn n TRP 34 Cb 0.06 -1.00 -0.06 0.00 -0.81 0.00 0.00 31.31 29.50 1pqn n TRP 34 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1pqn s ASP 35 N -1.41 7.09 0.03 -0.67 -1.08 -0.65 -5.00 116.67 114.98 1pqn s ASP 35 Ca 0.58 1.29 -0.22 0.00 -0.52 0.00 0.00 52.55 53.68 1pqn s ASP 35 Cb 0.48 -2.38 -0.15 0.00 -1.46 0.00 0.00 42.92 39.41 1pqn s ASP 35 CO 0.09 0.22 1.40 1.55 0.52 0.00 0.00 175.17 178.94 1pqn h PRO 36 N 4.81 0.22 -0.52 4.34 0.13 -1.93 -2.70 132.00 136.35 1pqn h PRO 36 Ca -0.48 -0.09 0.13 0.00 -0.87 0.00 0.00 66.00 64.69 1pqn h PRO 36 Cb 1.21 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1pqn h PRO 36 CO 0.65 0.55 0.37 1.15 -0.23 0.00 0.00 178.00 180.50 1pqn h THR 37 N -0.12 0.79 -0.03 1.56 2.02 -1.85 -0.03 112.91 115.24 1pqn h THR 37 Ca 0.03 -0.04 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 1pqn h THR 37 Cb 0.48 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1pqn h THR 37 CO 0.01 0.02 -0.90 0.00 0.37 0.00 0.00 175.52 175.03 1pqn h MET 39 N 0.28 1.27 0.03 0.00 -1.53 -0.68 0.17 114.93 114.48 1pqn h MET 39 Ca -0.07 -0.09 -0.00 0.00 -3.44 0.00 0.00 59.70 56.10 1pqn h MET 39 Cb 1.52 -0.28 0.00 0.00 -0.55 0.00 0.00 31.60 32.29 1pqn h MET 39 CO 0.16 0.85 -0.02 0.87 0.14 0.00 0.00 176.91 178.92 1pqn h LYS 40 N 1.31 -0.05 -0.39 0.39 1.57 -1.49 -2.31 116.57 115.60 1pqn h LYS 40 Ca 0.35 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.15 1pqn h LYS 40 Cb -0.13 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1pqn h LYS 40 CO -0.07 0.42 0.23 0.52 -0.57 0.00 0.00 179.45 179.97 1pqn h MET 41 N -0.53 0.44 -0.91 3.15 2.86 -1.33 -2.22 114.93 116.40 1pqn h MET 41 Ca -0.00 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1pqn h MET 41 Cb 0.48 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1pqn h MET 41 CO 0.01 0.29 0.60 0.22 1.06 0.00 0.00 176.91 179.09 1pqn h ASP 42 N 0.46 0.97 -0.90 1.22 3.58 -0.70 -0.83 116.42 120.21 1pqn h ASP 42 Ca 0.15 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.65 1pqn h ASP 42 Cb 0.01 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.79 1pqn h ASP 42 CO -0.07 0.65 0.59 -0.33 -2.88 0.00 0.00 179.24 177.20 1pqn h GLU 43 N 1.12 1.05 -0.11 0.28 4.39 -0.81 -2.14 114.58 118.36 1pqn h GLU 43 Ca 0.37 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.77 1pqn h GLU 43 Cb 0.07 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1pqn h GLU 43 CO -0.12 0.70 -0.86 0.28 -1.16 0.00 0.00 179.01 177.85 1pqn h VAL 44 N 1.08 1.27 -0.62 3.13 2.07 -1.02 -3.29 116.25 118.87 1pqn h VAL 44 Ca 0.37 -2.05 0.13 0.00 0.82 0.00 0.00 66.70 65.97 1pqn h VAL 44 Cb 0.10 2.09 -0.11 0.00 -1.52 0.00 0.00 31.29 31.84 1pqn h VAL 44 CO -0.12 0.65 -0.08 -0.07 0.02 0.00 0.00 177.57 177.96 1pqn h LEU 45 N 0.51 -0.44 -1.74 2.57 -0.00 -0.52 0.49 115.31 116.18 1pqn h LEU 45 Ca -0.08 0.17 0.15 0.00 -0.00 0.00 0.00 57.88 58.13 1pqn h LEU 45 Cb 1.49 0.33 -0.04 0.00 -0.00 0.00 0.00 40.66 42.45 1pqn h LEU 45 CO 0.17 -0.17 0.46 1.88 -0.00 0.00 0.00 178.44 180.79 1pqn h TYR 46 N 0.05 0.30 0.00 1.13 0.05 -1.56 0.96 116.97 117.89 1pqn h TYR 46 Ca 0.31 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.95 1pqn h TYR 46 Cb 0.50 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1pqn h TYR 46 CO -0.44 0.12 -1.37 0.45 -1.05 0.00 0.00 178.16 175.86 1pqn n SER 47 N -4.44 0.86 -1.28 3.88 2.88 0.77 -4.18 113.62 112.12 1pqn n SER 47 Ca 0.13 0.37 -0.08 0.00 -1.33 0.00 0.00 58.87 57.96 1pqn n SER 47 Cb 0.56 0.19 0.14 0.00 -0.75 0.00 0.00 64.21 64.35 1pqn n SER 47 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1pqn n ILE 48 N -2.87 2.47 0.00 2.46 -6.64 0.14 -4.67 119.36 110.25 1pqn n ILE 48 Ca -0.09 -3.42 0.00 0.00 -1.77 0.00 0.00 62.75 57.47 1pqn n ILE 48 Cb 0.81 -0.59 0.00 0.00 -1.44 0.00 0.00 39.64 38.42 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1pqn n ALA 49 N -0.98 0.30 0.15 -1.28 0.00 0.32 -4.66 120.51 114.35 1pqn n ALA 49 Ca 0.33 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.96 1pqn n ALA 49 Cb 0.86 0.00 0.75 0.00 0.00 0.00 0.00 19.45 21.06 1pqn n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pqn h GLU 50 N 0.00 0.00 -1.02 0.00 4.57 -1.82 0.14 114.58 116.45 1pqn h GLU 50 Ca 0.00 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.45 1pqn h GLU 50 Cb 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 1pqn h GLU 50 CO 0.00 0.00 0.68 0.87 -1.18 0.00 0.00 179.01 179.38 1pqn h LYS 51 N 0.00 0.26 0.00 1.92 1.57 -1.83 -3.15 116.57 115.35 1pqn h LYS 51 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1pqn h LYS 51 Cb 1.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1pqn h LYS 51 CO -0.00 0.17 -0.30 0.28 -0.57 0.00 0.00 179.45 179.03 1pqn n VAL 52 N -4.47 0.00 0.01 0.50 0.31 -0.50 -4.91 118.33 109.27 1pqn n VAL 52 Ca 0.23 -0.04 0.20 0.00 -0.01 0.00 0.00 64.34 64.72 1pqn n VAL 52 Cb 0.92 0.31 0.69 0.00 -0.91 0.00 0.00 33.84 34.85 1pqn n VAL 52 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1pqn h LYS 53 N 0.04 0.01 0.00 5.55 5.09 -0.72 0.10 116.57 126.63 1pqn h LYS 53 Ca -0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.71 1pqn h LYS 53 Cb 1.25 -0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.58 1pqn h LYS 53 CO -0.01 0.00 -0.01 -0.91 -2.09 0.00 0.00 179.45 176.44 1pqn h ASN 54 N 0.01 0.00 0.00 7.07 2.35 -1.86 -3.19 115.58 119.96 1pqn h ASN 54 Ca 0.24 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.69 1pqn h ASN 54 Cb 0.97 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.30 1pqn h ASN 54 CO -0.00 0.01 -2.02 0.49 -1.65 0.00 0.00 177.43 174.25 1pqn n PHE 55 N -3.30 0.00 -3.98 1.19 3.01 0.23 -4.74 117.46 109.88 1pqn n PHE 55 Ca -0.03 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.17 1pqn n PHE 55 Cb 0.09 -0.66 -0.04 0.00 -0.01 0.00 0.00 39.48 38.87 1pqn n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pqn s ALA 56 N -2.34 3.88 -0.32 4.37 0.00 -0.51 0.88 121.76 127.73 1pqn s ALA 56 Ca -0.25 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1pqn s ALA 56 Cb 0.10 -1.69 0.11 0.00 0.00 0.00 0.00 23.12 21.64 1pqn s ALA 56 CO 0.33 0.53 0.15 0.54 0.00 0.00 0.00 175.76 177.31 1pqn s VAL 57 N -1.74 0.26 0.72 0.00 0.11 -1.07 -4.26 120.40 114.42 1pqn s VAL 57 Ca 0.34 -1.25 -0.11 0.00 -2.93 0.00 0.00 61.98 58.03 1pqn s VAL 57 Cb -0.11 -1.21 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1pqn s VAL 57 CO 0.27 -0.80 1.08 -0.51 -3.33 0.00 0.00 175.10 171.81 1pqn s ILE 58 N 1.62 3.64 -0.30 7.04 2.07 -1.26 -2.60 121.20 131.41 1pqn s ILE 58 Ca 0.12 0.53 -0.11 0.00 -1.41 0.00 0.00 60.65 59.79 1pqn s ILE 58 Cb -0.19 -3.39 0.13 0.00 0.13 0.00 0.00 42.46 39.14 1pqn s ILE 58 CO -0.22 -0.69 0.66 -0.31 -1.91 0.00 0.00 174.94 172.47 1pqn s TYR 59 N -3.20 -1.31 0.53 3.50 2.02 0.13 -4.69 117.35 114.33 1pqn s TYR 59 Ca 0.59 2.29 -0.18 0.00 -0.37 0.00 0.00 57.07 59.39 1pqn s TYR 59 Cb -0.13 0.79 -0.06 0.00 -0.40 0.00 0.00 41.96 42.16 1pqn s TYR 59 CO 0.54 -0.65 1.06 -0.51 -1.57 0.00 0.00 175.55 174.41 1pqn s LEU 60 N 2.80 3.70 -0.17 -1.29 2.01 -1.02 -2.60 118.68 122.11 1pqn s LEU 60 Ca -0.06 1.92 -0.14 0.00 0.01 0.00 0.00 54.13 55.86 1pqn s LEU 60 Cb -0.11 -4.55 0.05 0.00 0.01 0.00 0.00 46.19 41.58 1pqn s LEU 60 CO -0.19 -0.98 0.43 -0.69 1.01 0.00 0.00 176.35 175.93 1pqn s VAL 61 N -2.13 -0.00 -0.11 -1.59 1.01 0.75 -1.82 120.40 116.51 1pqn s VAL 61 Ca 0.67 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.63 1pqn s VAL 61 Cb -0.17 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1pqn s VAL 61 CO 0.27 0.01 0.02 -1.81 0.00 0.00 0.00 175.10 173.59 1pqn s ASP 62 N 0.44 5.37 -0.88 3.32 1.11 -1.26 -1.89 116.67 122.88 1pqn s ASP 62 Ca -0.02 0.15 -0.08 0.00 0.18 0.00 0.00 52.55 52.79 1pqn s ASP 62 Cb -0.04 -1.61 -0.14 0.00 1.07 0.00 0.00 42.92 42.19 1pqn s ASP 62 CO -0.02 0.34 2.97 -0.38 1.18 0.00 0.00 175.17 179.26 1pqn n ILE 63 N 2.38 3.40 0.00 0.77 5.41 0.27 -2.63 119.36 128.96 1pqn n ILE 63 Ca -0.18 -1.92 0.00 0.00 1.00 0.00 0.00 62.75 61.64 1pqn n ILE 63 Cb 0.54 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 1pqn n ILE 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1pqn n THR 64 N 3.27 0.00 -0.00 1.39 -1.04 -1.26 -4.94 114.28 111.70 1pqn n THR 64 Ca 0.58 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.53 1pqn n THR 64 Cb 0.45 -0.01 -0.12 0.00 -1.82 0.00 0.00 70.33 68.82 1pqn n THR 64 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1pqn n GLU 65 N -2.00 0.63 -2.74 -2.82 0.00 -1.19 -4.80 120.64 107.71 1pqn n GLU 65 Ca 0.00 0.28 -0.43 0.00 0.00 0.00 0.00 57.16 57.01 1pqn n GLU 65 Cb 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 31.44 29.61 1pqn n GLU 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1pqn s VAL 66 N -2.70 4.45 -1.20 3.84 0.11 -1.08 -4.65 120.40 119.18 1pqn s VAL 66 Ca -0.04 1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 60.06 1pqn s VAL 66 Cb 0.08 -4.44 -0.07 0.00 -1.53 0.00 0.00 36.38 30.43 1pqn s VAL 66 CO 0.82 -0.73 2.44 -0.81 -3.33 0.00 0.00 175.10 173.49 1pqn n PRO 67 N 7.16 2.72 -1.67 1.54 -0.04 -1.26 -4.71 135.00 138.74 1pqn n PRO 67 Ca 0.09 -1.75 -0.32 0.00 -0.04 0.00 0.00 63.50 61.48 1pqn n PRO 67 Cb 0.48 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.31 1pqn n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pqn n ASP 68 N 3.98 7.08 -2.59 3.54 8.00 -1.26 -4.81 116.55 130.48 1pqn n ASP 68 Ca 0.58 -3.15 -0.05 0.00 0.71 0.00 0.00 54.79 52.88 1pqn n ASP 68 Cb 0.17 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 39.94 1pqn n ASP 68 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1pqn n PHE 69 N 1.28 -4.34 0.01 1.24 3.01 -1.26 -4.96 117.46 112.44 1pqn n PHE 69 Ca 0.54 2.42 -0.14 0.00 1.01 0.00 0.00 57.45 61.29 1pqn n PHE 69 Cb 0.44 -3.91 -0.14 0.00 -0.01 0.00 0.00 39.48 35.87 1pqn n PHE 69 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1pqn h ASN 70 N 3.81 0.19 0.00 4.37 -1.07 -1.92 -3.46 115.58 117.49 1pqn h ASN 70 Ca -0.46 -0.36 0.00 0.00 0.07 0.00 0.00 56.30 55.54 1pqn h ASN 70 Cb 1.04 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 1pqn h ASN 70 CO 0.03 1.32 0.00 1.17 0.07 0.00 0.00 177.43 180.02 1pqn n LYS 71 N -3.26 0.00 0.00 4.14 3.00 -1.26 -2.05 118.16 118.74 1pqn n LYS 71 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 1pqn n LYS 71 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.07 1pqn n LYS 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1pqn n MET 72 N 0.00 0.00 -1.53 1.64 1.56 -1.26 -4.97 117.12 112.55 1pqn n MET 72 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.45 1pqn n MET 72 Cb 0.00 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.38 1pqn n MET 72 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1pqn n TYR 73 N -0.70 0.05 -0.34 1.12 4.01 -1.21 -4.91 117.16 115.18 1pqn n TYR 73 Ca 0.00 -0.65 0.33 0.00 -0.16 0.00 0.00 57.90 57.42 1pqn n TYR 73 Cb 0.00 -0.00 0.69 0.00 -0.31 0.00 0.00 39.34 39.72 1pqn n TYR 73 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1pqn h GLU 74 N 0.94 0.09 -6.87 -0.72 4.57 -1.75 -3.40 114.58 107.44 1pqn h GLU 74 Ca -0.29 -0.01 -0.50 0.00 -1.18 0.00 0.00 59.36 57.39 1pqn h GLU 74 Cb 1.75 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 30.34 1pqn h GLU 74 CO 0.03 0.06 0.45 -0.51 -1.18 0.00 0.00 179.01 177.86 1pqn s LEU 75 N -8.69 4.39 0.00 1.64 1.43 -1.26 -4.75 118.68 111.44 1pqn s LEU 75 Ca -0.06 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1pqn s LEU 75 Cb 0.24 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1pqn s LEU 75 CO 0.81 -0.29 0.00 0.00 0.23 0.00 0.00 176.35 177.09 1pqn n TYR 76 N 0.69 0.00 -3.09 0.29 0.18 -1.26 -5.14 117.16 108.83 1pqn n TYR 76 Ca 0.01 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.42 1pqn n TYR 76 Cb 0.47 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.36 1pqn n TYR 76 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1pqn s ASP 77 N -0.99 7.18 0.07 9.48 -1.08 -1.26 -5.01 116.67 125.06 1pqn s ASP 77 Ca 0.00 1.47 -0.28 0.00 -0.52 0.00 0.00 52.55 53.22 1pqn s ASP 77 Cb 0.00 -2.43 -0.13 0.00 -1.46 0.00 0.00 42.92 38.89 1pqn s ASP 77 CO 0.00 0.14 1.43 -0.65 0.52 0.00 0.00 175.17 176.62 1pqn h PRO 78 N 3.96 -0.73 -3.10 4.34 0.11 -1.97 -3.47 132.00 131.13 1pqn h PRO 78 Ca -0.48 0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1pqn h PRO 78 Cb 1.20 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 32.42 1pqn h PRO 78 CO 0.65 -0.48 0.18 0.00 -0.21 0.00 0.00 178.00 178.13 1pqn s THR 80 N -3.93 0.00 0.26 0.00 -1.32 -1.04 -3.96 115.64 105.65 1pqn s THR 80 Ca 0.13 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.71 1pqn s THR 80 Cb -0.05 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1pqn s THR 80 CO 0.07 0.00 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.71 1pqn s VAL 81 N -1.53 3.06 -0.04 5.08 1.01 -1.25 -1.61 120.40 125.11 1pqn s VAL 81 Ca 0.09 -2.06 -0.18 0.00 0.00 0.00 0.00 61.98 59.83 1pqn s VAL 81 Cb -0.01 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1pqn s VAL 81 CO -0.05 -0.35 0.40 -0.32 0.00 0.00 0.00 175.10 174.78 1pqn s MET 82 N -3.49 0.73 0.11 2.72 1.75 0.36 -4.75 119.30 116.73 1pqn s MET 82 Ca 0.30 -0.02 0.09 0.00 -1.25 0.00 0.00 55.69 54.81 1pqn s MET 82 Cb -0.06 0.33 -0.04 0.00 2.84 0.00 0.00 34.83 37.90 1pqn s MET 82 CO 0.17 -0.20 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.10 1pqn s PHE 83 N -1.13 2.53 -0.03 4.11 0.40 -1.07 -0.14 117.98 122.66 1pqn s PHE 83 Ca -0.12 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.98 1pqn s PHE 83 Cb -0.04 -1.36 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 1pqn s PHE 83 CO 0.05 0.37 -0.12 -0.06 0.70 0.00 0.00 175.22 176.15 1pqn s PHE 84 N -1.11 1.23 -0.03 0.36 0.40 0.13 -1.72 117.98 117.25 1pqn s PHE 84 Ca 0.17 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 1pqn s PHE 84 Cb -0.11 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.61 1pqn s PHE 84 CO 0.09 -0.10 0.25 0.12 0.70 0.00 0.00 175.22 176.28 1pqn s PHE 85 N 0.01 -0.13 -1.18 0.36 5.36 -0.90 -1.63 117.98 119.87 1pqn s PHE 85 Ca -0.01 0.23 -0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1pqn s PHE 85 Cb -0.08 0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1pqn s PHE 85 CO 0.01 -0.31 0.06 0.54 -1.46 0.00 0.00 175.22 174.06 1pqn n ARG 86 N 1.66 -2.34 -2.57 10.12 5.12 -1.26 -0.04 116.66 127.34 1pqn n ARG 86 Ca -0.20 0.65 -0.18 0.00 -1.93 0.00 0.00 57.85 56.19 1pqn n ARG 86 Cb 0.56 -5.28 0.01 0.00 -1.16 0.00 0.00 32.46 26.59 1pqn n ARG 86 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1pqn n ASN 87 N -1.89 -5.16 -4.24 0.55 5.15 -1.26 -5.00 115.26 103.40 1pqn n ASN 87 Ca -0.15 -0.11 -0.17 0.00 -0.60 0.00 0.00 54.58 53.55 1pqn n ASN 87 Cb 0.62 -4.15 -0.11 0.00 -0.53 0.00 0.00 39.78 35.61 1pqn n ASN 87 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1pqn s LYS 88 N -5.13 1.02 -0.34 1.20 1.02 0.94 -5.01 119.74 113.43 1pqn s LYS 88 Ca 0.11 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.60 1pqn s LYS 88 Cb -0.05 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.43 1pqn s LYS 88 CO 0.13 0.15 0.77 -3.38 -0.92 0.00 0.00 175.35 172.11 1pqn s HIS 89 N -2.35 3.16 -0.08 3.18 -3.43 -1.26 -2.12 115.29 112.38 1pqn s HIS 89 Ca 0.10 0.66 0.05 0.00 -0.80 0.00 0.00 55.06 55.07 1pqn s HIS 89 Cb -0.04 -3.30 -0.00 0.00 -1.43 0.00 0.00 32.58 27.81 1pqn s HIS 89 CO 0.03 -0.65 -0.24 0.42 -2.00 0.00 0.00 174.74 172.29 1pqn s ILE 90 N 3.00 2.06 -0.66 -5.38 1.01 -0.70 -5.00 121.20 115.53 1pqn s ILE 90 Ca 0.31 -1.04 -0.26 0.00 0.00 0.00 0.00 60.65 59.67 1pqn s ILE 90 Cb -0.14 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.61 1pqn s ILE 90 CO 0.15 0.56 1.14 0.00 0.00 0.00 0.00 174.94 176.79 1pqn s MET 91 N 0.14 3.26 -0.12 2.79 0.23 -1.26 -2.59 119.30 121.75 1pqn s MET 91 Ca -0.13 -0.27 -0.01 0.00 -1.03 0.00 0.00 55.69 54.25 1pqn s MET 91 Cb -0.16 -4.14 0.03 0.00 -1.53 0.00 0.00 34.83 29.03 1pqn s MET 91 CO 0.07 -1.88 -0.02 0.42 -2.03 0.00 0.00 175.02 171.58 1pqn s ILE 92 N 4.93 0.71 0.34 3.16 1.01 -1.26 -4.96 121.20 125.12 1pqn s ILE 92 Ca 0.33 -0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.50 1pqn s ILE 92 Cb -0.11 -0.88 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 1pqn s ILE 92 CO 0.17 0.20 1.02 1.51 0.00 0.00 0.00 174.94 177.84 1pqn s ASP 93 N 1.82 7.12 0.50 3.58 1.47 -1.26 -4.19 116.67 125.71 1pqn s ASP 93 Ca 0.03 2.03 0.15 0.00 1.18 0.00 0.00 52.55 55.94 1pqn s ASP 93 Cb -0.14 -2.60 1.19 0.00 -0.34 0.00 0.00 42.92 41.04 1pqn s ASP 93 CO -0.07 -0.23 2.12 -0.07 0.68 0.00 0.00 175.17 177.60 1pqn h LEU 94 N 3.14 0.05 0.00 2.11 3.38 -1.93 -3.41 115.31 118.66 1pqn h LEU 94 Ca -0.47 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1pqn h LEU 94 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1pqn h LEU 94 CO 0.65 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.85 1pqn n GLY 95 N -1.47 -1.94 3.69 0.83 0.00 -1.26 -3.93 105.19 101.11 1pqn n GLY 95 Ca -0.02 0.92 -0.43 0.00 0.00 0.00 0.00 46.02 46.48 1pqn n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pqn n THR 96 N 0.00 0.21 -0.04 2.61 -2.24 -1.26 -4.53 114.28 109.04 1pqn n THR 96 Ca 0.00 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.70 1pqn n THR 96 Cb 0.00 -1.97 -0.14 0.00 -2.10 0.00 0.00 70.33 66.12 1pqn n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqn n GLY 97 N 4.03 -1.05 1.99 3.38 0.00 -1.26 -4.85 105.19 107.43 1pqn n GLY 97 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1pqn n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pqn n ASN 98 N -2.79 -0.03 -3.76 1.61 3.02 -1.26 -5.17 115.26 106.88 1pqn n ASN 98 Ca -0.20 0.09 0.03 0.00 -0.03 0.00 0.00 54.58 54.47 1pqn n ASN 98 Cb 0.98 0.08 0.01 0.00 -0.61 0.00 0.00 39.78 40.24 1pqn n ASN 98 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pqn s ASN 99 N -5.00 -0.01 0.52 6.41 4.22 -1.26 -5.16 114.94 114.65 1pqn s ASN 99 Ca 0.00 -0.11 0.00 0.00 -2.14 0.00 0.00 52.86 50.61 1pqn s ASN 99 Cb 0.00 0.09 0.00 0.00 1.28 0.00 0.00 41.25 42.62 1pqn s ASN 99 CO 0.00 -0.18 0.00 -3.20 -2.04 0.00 0.00 177.10 171.68 1pqn n ASN 100 N -0.80 -7.77 -3.78 3.54 2.85 -1.26 -4.91 115.26 103.13 1pqn n ASN 100 Ca -0.01 1.53 -0.23 0.00 -0.11 0.00 0.00 54.58 55.75 1pqn n ASN 100 Cb 0.61 -4.46 0.15 0.00 1.24 0.00 0.00 39.78 37.32 1pqn n ASN 100 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1pqn n LYS 101 N -2.00 -2.04 -2.88 1.20 4.76 -1.26 -4.82 118.16 111.12 1pqn n LYS 101 Ca 0.00 -0.60 -0.44 0.00 -2.87 0.00 0.00 58.31 54.40 1pqn n LYS 101 Cb 0.30 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1pqn n LYS 101 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1pqn n ILE 102 N -4.39 4.24 -0.08 -0.18 2.08 -1.26 -4.65 119.36 115.11 1pqn n ILE 102 Ca 0.04 -4.66 -0.11 0.00 0.56 0.00 0.00 62.75 58.58 1pqn n ILE 102 Cb 0.44 -2.45 -0.15 0.00 -0.75 0.00 0.00 39.64 36.73 1pqn n ILE 102 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1pqn n ASN 103 N 5.68 0.42 0.05 4.38 4.13 -1.25 -3.95 115.26 124.72 1pqn n ASN 103 Ca 0.38 0.08 0.11 0.00 1.68 0.00 0.00 54.58 56.84 1pqn n ASN 103 Cb 0.42 0.59 0.01 0.00 -1.54 0.00 0.00 39.78 39.27 1pqn n ASN 103 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1pqn n TRP 104 N -2.88 0.51 -1.71 3.10 8.01 -1.26 -4.14 117.44 119.07 1pqn n TRP 104 Ca -0.31 0.15 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 1pqn n TRP 104 Cb 1.12 -0.65 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 1pqn n TRP 104 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1pqn n ALA 105 N -1.99 -2.35 -3.15 6.99 0.00 -1.26 -4.66 120.51 114.08 1pqn n ALA 105 Ca 0.01 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.83 1pqn n ALA 105 Cb 0.49 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 1pqn n ALA 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1pqn s MET 106 N -1.27 0.06 0.00 0.00 0.00 -1.26 -5.01 119.30 111.83 1pqn s MET 106 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 55.69 55.77 1pqn s MET 106 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 34.83 34.87 1pqn s MET 106 CO 0.00 -0.11 0.00 -0.85 0.00 0.00 0.00 175.02 174.06 1pqn n GLU 107 N 5.17 0.00 0.00 4.11 0.28 -1.26 -4.45 120.64 124.48 1pqn n GLU 107 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1pqn n GLU 107 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pqn n ASP 108 N 0.00 -1.86 0.00 -1.84 9.92 -1.26 -2.61 116.55 118.91 1pqn n ASP 108 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 1pqn n ASP 108 Cb 0.00 0.00 0.44 0.00 -0.64 0.00 0.00 41.12 40.92 1pqn n ASP 108 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1pqn n LYS 109 N 0.00 0.98 0.00 -1.24 2.85 -1.26 -3.26 118.16 116.23 1pqn n LYS 109 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1pqn n LYS 109 Cb 0.00 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.14 1pqn n LYS 109 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1pqn n GLN 110 N -0.74 0.00 0.16 -1.58 1.13 -1.14 -3.54 117.38 111.68 1pqn n GLN 110 Ca 0.11 0.12 0.15 0.00 -1.94 0.00 0.00 57.00 55.45 1pqn n GLN 110 Cb 0.05 -0.49 0.74 0.00 0.11 0.00 0.00 30.24 30.65 1pqn n GLN 110 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1pqn h GLU 111 N 0.00 0.00 0.50 -1.09 3.07 -1.67 -2.65 114.58 112.75 1pqn h GLU 111 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1pqn h GLU 111 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pqn h GLU 111 CO 0.00 0.00 -0.24 0.52 -1.40 0.00 0.00 179.01 177.89 1pqn h MET 112 N 0.00 -0.65 -1.04 2.33 2.86 -1.67 -2.37 114.93 114.40 1pqn h MET 112 Ca 0.11 0.04 0.28 0.00 -2.06 0.00 0.00 59.70 58.07 1pqn h MET 112 Cb 0.48 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 1pqn h MET 112 CO -0.00 -0.36 0.64 0.28 1.06 0.00 0.00 176.91 178.54 1pqn h VAL 113 N -1.07 0.48 0.06 -2.22 2.07 -1.52 0.46 116.25 114.50 1pqn h VAL 113 Ca -0.07 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1pqn h VAL 113 Cb 0.59 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1pqn h VAL 113 CO 0.11 0.08 -0.03 -0.78 0.02 0.00 0.00 177.57 176.97 1pqn h ASP 114 N 0.44 -0.07 -0.13 0.57 1.82 -1.46 -0.87 116.42 116.72 1pqn h ASP 114 Ca 0.64 -0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 57.03 1pqn h ASP 114 Cb 1.49 0.02 -0.00 0.00 0.68 0.00 0.00 39.33 41.52 1pqn h ASP 114 CO -0.40 0.19 -0.01 -0.29 -1.61 0.00 0.00 179.24 177.11 1pqn h ILE 115 N -0.33 1.27 -0.41 2.25 6.09 -0.44 -2.80 117.51 123.14 1pqn h ILE 115 Ca -0.01 -0.90 0.02 0.00 -1.37 0.00 0.00 64.86 62.61 1pqn h ILE 115 Cb 0.29 1.60 -0.02 0.00 0.47 0.00 0.00 36.82 39.16 1pqn h ILE 115 CO 0.01 0.26 0.27 0.40 -3.07 0.00 0.00 178.15 176.02 1pqn h ILE 116 N -0.04 1.05 -0.45 2.19 2.04 -0.22 0.21 117.51 122.28 1pqn h ILE 116 Ca 0.04 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1pqn h ILE 116 Cb 0.41 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1pqn h ILE 116 CO 0.01 0.08 -0.16 -0.08 0.00 0.00 0.00 178.15 178.01 1pqn h GLU 117 N 0.46 0.86 0.00 2.37 4.81 -1.01 0.40 114.58 122.47 1pqn h GLU 117 Ca 0.16 -0.32 -0.18 0.00 -0.13 0.00 0.00 59.36 58.89 1pqn h GLU 117 Cb 0.07 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1pqn h GLU 117 CO -0.04 0.96 -0.95 1.15 -0.73 0.00 0.00 179.01 179.40 1pqn h THR 118 N 0.76 1.21 0.00 0.32 2.02 -1.07 -2.83 112.91 113.32 1pqn h THR 118 Ca 0.12 -2.79 -0.04 0.00 0.77 0.00 0.00 66.41 64.47 1pqn h THR 118 Cb 0.68 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1pqn h THR 118 CO 0.05 0.69 -0.25 0.58 0.37 0.00 0.00 175.52 176.96 1pqn h VAL 119 N 0.00 0.98 -0.75 3.16 2.07 -0.48 0.15 116.25 121.38 1pqn h VAL 119 Ca -0.05 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.64 1pqn h VAL 119 Cb 1.65 1.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.32 1pqn h VAL 119 CO 0.09 0.33 0.41 1.88 0.02 0.00 0.00 177.57 180.31 1pqn h TYR 120 N -1.00 1.01 0.08 1.57 -1.99 -0.37 0.77 116.97 117.03 1pqn h TYR 120 Ca -0.06 -0.02 -0.30 0.00 2.00 0.00 0.00 58.73 60.36 1pqn h TYR 120 Cb 0.72 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 1pqn h TYR 120 CO 0.13 0.70 -1.59 -0.09 -0.00 0.00 0.00 178.16 177.31 1pqn h ARG 121 N 1.04 0.16 -0.11 4.88 2.43 -1.64 -3.37 114.38 117.78 1pqn h ARG 121 Ca 0.27 -0.27 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1pqn h ARG 121 Cb 0.02 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1pqn h ARG 121 CO -0.04 0.95 -0.80 0.78 -1.51 0.00 0.00 179.97 179.35 1pqn h GLY 122 N 2.22 0.80 -4.61 2.80 0.00 -0.46 -3.29 103.07 100.52 1pqn h GLY 122 Ca -0.25 -1.21 -0.50 0.00 0.00 0.00 0.00 47.33 45.37 1pqn h GLY 122 CO 0.13 1.07 0.57 0.00 0.00 0.00 0.00 176.54 178.31 1pqn n ALA 123 N -2.61 6.50 -0.09 3.60 0.00 0.26 -4.34 120.51 123.83 1pqn n ALA 123 Ca -0.09 -3.07 -0.21 0.00 0.00 0.00 0.00 53.44 50.08 1pqn n ALA 123 Cb 0.76 -2.24 -0.12 0.00 0.00 0.00 0.00 19.45 17.85 1pqn n ALA 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1pqn n ARG 124 N 1.12 0.66 -2.78 0.00 1.85 -1.24 -4.47 116.66 111.80 1pqn n ARG 124 Ca 0.50 0.23 -0.08 0.00 -1.00 0.00 0.00 57.85 57.51 1pqn n ARG 124 Cb 0.55 -1.58 0.01 0.00 -1.05 0.00 0.00 32.46 30.38 1pqn n ARG 124 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1pqn n LYS 125 N -3.58 -2.28 0.00 2.89 3.00 -1.26 -5.00 118.16 111.93 1pqn n LYS 125 Ca -0.43 2.06 0.00 0.00 -0.00 0.00 0.00 58.31 59.94 1pqn n LYS 125 Cb 0.96 -5.48 0.00 0.00 0.00 0.00 0.00 35.03 30.51 1pqn n LYS 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pqn n GLY 126 N -0.30 0.69 1.24 3.14 0.00 -1.26 -5.05 105.19 103.65 1pqn n GLY 126 Ca 0.11 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.50 1pqn n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqn n ARG 127 N 0.00 0.25 0.00 1.61 1.74 -1.26 -5.28 116.66 113.72 1pqn n ARG 127 Ca 0.00 -0.73 0.16 0.00 -0.77 0.00 0.00 57.85 56.51 1pqn n ARG 127 Cb 0.00 0.45 0.90 0.00 -1.02 0.00 0.00 32.46 32.79 1pqn n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52