#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqn h TYR 3 N 0.00 0.00 0.00 1.43 0.05 -2.04 -3.50 116.97 112.91 1pqn h TYR 3 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1pqn h TYR 3 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1pqn h TYR 3 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 1pqn n MET 4 N -2.28 0.00 -1.47 4.88 0.00 -1.26 -5.06 117.12 111.94 1pqn n MET 4 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.24 1pqn n MET 4 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.15 1pqn n MET 4 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pqn n LEU 5 N -2.37 1.70 -4.64 3.17 4.77 -1.26 -4.82 117.00 113.55 1pqn n LEU 5 Ca 0.00 0.17 -0.48 0.00 -0.03 0.00 0.00 56.01 55.67 1pqn n LEU 5 Cb 0.00 -1.24 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 1pqn n LEU 5 CO 0.00 -0.92 1.58 -2.65 -1.33 0.00 0.00 177.39 174.07 1pqn n PRO 6 N 8.41 1.98 -3.91 3.23 -0.02 -1.26 -4.59 135.00 138.84 1pqn n PRO 6 Ca 0.46 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 62.37 1pqn n PRO 6 Cb 0.24 -2.68 -0.01 0.00 -0.02 0.00 0.00 33.50 31.03 1pqn n PRO 6 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1pqn s HIS 7 N 5.07 1.62 0.20 6.00 -3.43 -1.26 -2.25 115.29 121.24 1pqn s HIS 7 Ca 0.96 -0.85 0.04 0.00 -0.80 0.00 0.00 55.06 54.42 1pqn s HIS 7 Cb -0.68 -1.90 -0.05 0.00 -1.43 0.00 0.00 32.58 28.52 1pqn s HIS 7 CO 0.50 -0.46 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.21 1pqn s LEU 8 N -4.27 2.36 0.00 5.38 1.43 -0.02 -4.67 118.68 118.89 1pqn s LEU 8 Ca 0.33 -1.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1pqn s LEU 8 Cb -0.02 -0.36 -0.00 0.00 0.03 0.00 0.00 46.19 45.83 1pqn s LEU 8 CO 0.21 -0.41 -0.01 1.57 0.23 0.00 0.00 176.35 177.94 1pqn n HIS 9 N -0.35 0.00 -4.37 0.29 -0.00 -1.26 -4.57 115.22 104.95 1pqn n HIS 9 Ca -0.07 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.92 1pqn n HIS 9 Cb 0.62 -0.02 -0.10 0.00 -0.12 0.00 0.00 29.99 30.38 1pqn n HIS 9 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1pqn s ASN 10 N -4.91 2.52 0.61 0.26 3.84 -1.26 -4.25 114.94 111.75 1pqn s ASN 10 Ca -0.01 -1.11 0.30 0.00 0.21 0.00 0.00 52.86 52.26 1pqn s ASN 10 Cb 0.00 -0.13 1.68 0.00 -0.55 0.00 0.00 41.25 42.26 1pqn s ASN 10 CO 0.01 -0.28 2.05 1.23 -2.79 0.00 0.00 177.10 177.32 1pqn h GLY 11 N 2.46 0.00 0.78 1.21 0.00 -1.98 -1.64 103.07 103.90 1pqn h GLY 11 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 1pqn h GLY 11 CO 0.64 0.00 -0.08 1.49 0.00 0.00 0.00 176.54 178.60 1pqn h TRP 12 N 0.00 -0.20 -0.08 5.60 4.06 -1.99 0.12 115.95 123.45 1pqn h TRP 12 Ca 0.09 -0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.91 1pqn h TRP 12 Cb 0.62 0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 1pqn h TRP 12 CO 0.00 0.06 -0.50 -0.56 -3.56 0.00 0.00 178.44 173.87 1pqn h GLN 13 N -0.44 0.22 -0.09 0.49 -0.00 -1.78 -2.82 115.11 110.69 1pqn h GLN 13 Ca -0.02 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.49 1pqn h GLN 13 Cb 0.35 0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 27.83 1pqn h GLN 13 CO 0.04 0.67 0.00 0.28 -0.00 0.00 0.00 178.83 179.82 1pqn h VAL 14 N 0.18 1.25 -0.12 1.86 2.07 -1.24 -2.72 116.25 117.52 1pqn h VAL 14 Ca 0.01 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1pqn h VAL 14 Cb 0.95 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1pqn h VAL 14 CO 0.08 0.22 0.04 -0.78 0.02 0.00 0.00 177.57 177.15 1pqn h ASP 15 N -0.11 0.15 0.31 0.57 1.82 -0.95 -1.25 116.42 116.95 1pqn h ASP 15 Ca 0.03 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.56 1pqn h ASP 15 Cb 0.34 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1pqn h ASP 15 CO 0.00 0.15 -0.40 1.56 -1.61 0.00 0.00 179.24 178.95 1pqn h GLN 16 N 0.17 0.12 0.00 0.28 4.20 -1.29 -2.69 115.11 115.91 1pqn h GLN 16 Ca 0.04 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1pqn h GLN 16 Cb 0.05 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1pqn h GLN 16 CO -0.00 0.50 -0.00 0.00 -0.67 0.00 0.00 178.83 178.66 1pqn h ALA 17 N 1.49 -0.01 -0.07 3.87 0.00 -0.93 0.16 119.26 123.77 1pqn h ALA 17 Ca 0.01 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1pqn h ALA 17 Cb 0.75 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pqn h ALA 17 CO 0.06 -0.26 0.05 0.97 0.00 0.00 0.00 179.25 180.07 1pqn h ILE 18 N -0.50 0.95 0.00 0.00 2.10 -1.46 -1.59 117.51 117.00 1pqn h ILE 18 Ca -0.00 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 65.68 1pqn h ILE 18 Cb 0.49 0.96 -0.04 0.00 -1.09 0.00 0.00 36.82 37.14 1pqn h ILE 18 CO 0.00 0.00 -1.43 0.25 -1.08 0.00 0.00 178.15 175.89 1pqn h LEU 19 N 0.00 0.00 -1.24 2.19 6.46 -1.41 -3.34 115.31 117.97 1pqn h LEU 19 Ca 0.04 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1pqn h LEU 19 Cb 0.14 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1pqn h LEU 19 CO -0.00 0.97 0.52 -1.28 -0.62 0.00 0.00 178.44 178.04 1pqn h SER 20 N 0.00 0.86 0.00 1.25 0.87 0.33 -3.27 113.55 113.59 1pqn h SER 20 Ca -0.18 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1pqn h SER 20 Cb 1.90 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.66 1pqn h SER 20 CO 0.09 0.60 0.00 -0.62 -0.53 0.00 0.00 176.83 176.37 1pqn n GLU 21 N -4.44 0.00 -3.62 2.24 -0.58 -1.08 -4.90 120.64 108.25 1pqn n GLU 21 Ca 0.10 0.12 -0.24 0.00 -0.42 0.00 0.00 57.16 56.72 1pqn n GLU 21 Cb 0.09 -1.11 0.07 0.00 -0.57 0.00 0.00 31.44 29.92 1pqn n GLU 21 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1pqn n GLU 22 N -0.85 -7.39 0.00 3.49 2.13 -1.23 -4.59 120.64 112.20 1pqn n GLU 22 Ca 0.00 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1pqn n GLU 22 Cb 0.00 -5.81 0.00 0.00 0.27 0.00 0.00 31.44 25.90 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 -3.01 0.00 -3.05 4.31 8.00 -1.26 -5.09 116.55 116.46 1pqn n ASP 23 Ca -0.04 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 1pqn n ASP 23 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.66 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 -0.64 1.32 -0.98 -1.24 5.12 -1.26 -3.81 116.66 115.17 1pqn n ARG 24 Ca 0.00 -1.33 -0.04 0.00 -1.93 0.00 0.00 57.85 54.54 1pqn n ARG 24 Cb 0.00 0.23 0.02 0.00 -1.16 0.00 0.00 32.46 31.55 1pqn n ARG 24 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1pqn n VAL 25 N -0.79 0.00 -3.38 1.55 0.31 -1.07 -4.55 118.33 110.39 1pqn n VAL 25 Ca -0.04 -0.30 0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1pqn n VAL 25 Cb 0.24 -1.29 -0.04 0.00 -0.91 0.00 0.00 33.84 31.84 1pqn n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pqn s VAL 26 N -0.40 -0.48 -0.00 2.52 0.11 -0.74 -2.61 120.40 118.80 1pqn s VAL 26 Ca 0.13 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.03 1pqn s VAL 26 Cb -0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1pqn s VAL 26 CO 0.08 0.00 0.41 -0.69 -3.33 0.00 0.00 175.10 171.57 1pqn s VAL 27 N 2.45 5.04 -0.05 2.04 1.01 -0.58 0.27 120.40 130.58 1pqn s VAL 27 Ca -0.02 0.84 -0.02 0.00 0.00 0.00 0.00 61.98 62.77 1pqn s VAL 27 Cb -0.06 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1pqn s VAL 27 CO -0.17 0.57 0.08 -0.63 0.00 0.00 0.00 175.10 174.95 1pqn s ILE 28 N -1.02 -0.14 -0.04 2.22 1.09 0.98 -0.45 121.20 123.85 1pqn s ILE 28 Ca 0.24 0.39 0.00 0.00 -1.10 0.00 0.00 60.65 60.18 1pqn s ILE 28 Cb -0.17 -0.20 -0.03 0.00 -1.06 0.00 0.00 42.46 41.00 1pqn s ILE 28 CO 0.13 0.16 -0.01 0.00 -0.10 0.00 0.00 174.94 175.11 1pqn s ARG 29 N 2.19 2.83 -0.37 2.79 1.04 -1.07 -2.60 118.95 123.77 1pqn s ARG 29 Ca 0.05 -0.54 -0.10 0.00 -1.04 0.00 0.00 55.73 54.10 1pqn s ARG 29 Cb -0.12 -2.69 0.04 0.00 -2.04 0.00 0.00 34.95 30.14 1pqn s ARG 29 CO -0.04 0.66 0.19 -0.06 -0.04 0.00 0.00 175.30 176.01 1pqn s PHE 30 N -0.96 3.26 0.00 5.89 0.08 -1.03 -0.92 117.98 124.29 1pqn s PHE 30 Ca 0.16 -1.11 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1pqn s PHE 30 Cb -0.11 -2.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 1pqn s PHE 30 CO 0.06 -0.69 0.00 0.41 -0.10 0.00 0.00 175.22 174.90 1pqn n GLY 31 N 4.96 3.73 3.77 4.36 0.00 -1.03 -4.07 105.19 116.90 1pqn n GLY 31 Ca -0.12 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 1pqn n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pqn s HIS 32 N -1.70 2.92 0.53 1.61 2.46 -1.26 -4.48 115.29 115.37 1pqn s HIS 32 Ca 0.00 1.42 0.19 0.00 0.47 0.00 0.00 55.06 57.15 1pqn s HIS 32 Cb 0.00 -3.65 1.36 0.00 -0.13 0.00 0.00 32.58 30.16 1pqn s HIS 32 CO 0.00 -1.94 2.13 0.22 -2.47 0.00 0.00 174.74 172.68 1pqn h ASP 33 N 2.92 0.00 -0.08 9.88 1.82 -1.89 -1.01 116.42 128.06 1pqn h ASP 33 Ca -0.49 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.16 1pqn h ASP 33 Cb 1.24 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.24 1pqn h ASP 33 CO 0.64 0.00 0.06 -0.50 -1.61 0.00 0.00 179.24 177.82 1pqn h TRP 34 N 0.00 0.03 -4.00 0.28 -0.00 -1.93 -3.29 115.95 107.05 1pqn h TRP 34 Ca 0.04 0.00 -0.55 0.00 -0.00 0.00 0.00 58.89 58.38 1pqn h TRP 34 Cb 0.18 -0.01 0.14 0.00 -0.00 0.00 0.00 29.16 29.47 1pqn h TRP 34 CO 0.00 0.02 0.58 -3.47 -0.00 0.00 0.00 178.44 175.57 1pqn n ASP 35 N -4.52 2.61 0.29 -3.49 -0.08 -0.38 -4.84 116.55 106.15 1pqn n ASP 35 Ca -0.01 0.97 -0.17 0.00 -1.51 0.00 0.00 54.79 54.07 1pqn n ASP 35 Cb 0.15 -1.57 -0.09 0.00 2.34 0.00 0.00 41.12 41.94 1pqn n ASP 35 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1pqn h PRO 36 N 1.39 -0.93 -0.57 -0.67 0.11 -1.88 -0.82 132.00 128.63 1pqn h PRO 36 Ca -0.51 0.06 0.14 0.00 0.11 0.00 0.00 66.00 65.81 1pqn h PRO 36 Cb 1.31 0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.60 1pqn h PRO 36 CO 0.57 -0.62 0.40 1.15 -0.21 0.00 0.00 178.00 179.28 1pqn h THR 37 N -0.97 0.78 0.00 -1.15 2.02 -1.83 0.28 112.91 112.04 1pqn h THR 37 Ca -0.06 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1pqn h THR 37 Cb 0.83 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1pqn h THR 37 CO -0.04 0.03 -0.53 0.00 0.37 0.00 0.00 175.52 175.35 1pqn h MET 39 N 0.00 0.18 -0.20 0.00 -1.53 0.80 -2.83 114.93 111.36 1pqn h MET 39 Ca -0.01 -0.32 -0.02 0.00 -3.44 0.00 0.00 59.70 55.92 1pqn h MET 39 Cb 0.99 0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 32.15 1pqn h MET 39 CO 0.07 0.98 0.06 0.87 0.14 0.00 0.00 176.91 179.03 1pqn h LYS 40 N 0.05 0.31 -0.15 0.39 1.57 -0.60 0.66 116.57 118.81 1pqn h LYS 40 Ca -0.30 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.21 1pqn h LYS 40 Cb 2.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.28 1pqn h LYS 40 CO 0.12 0.42 -0.71 0.52 -0.57 0.00 0.00 179.45 179.22 1pqn h MET 41 N 0.15 0.66 -0.07 3.15 2.86 -1.60 -2.84 114.93 117.25 1pqn h MET 41 Ca 0.06 -0.51 -0.05 0.00 -2.06 0.00 0.00 59.70 57.14 1pqn h MET 41 Cb 0.24 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1pqn h MET 41 CO -0.00 1.13 -0.14 -0.44 1.06 0.00 0.00 176.91 178.52 1pqn h ASP 42 N 0.47 0.24 -0.44 1.22 5.19 -1.43 0.39 116.42 122.05 1pqn h ASP 42 Ca -0.03 -0.57 0.08 0.00 -0.62 0.00 0.00 57.03 55.88 1pqn h ASP 42 Cb 1.32 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 1pqn h ASP 42 CO 0.14 0.77 0.30 -0.33 -3.12 0.00 0.00 179.24 177.00 1pqn h GLU 43 N -0.28 0.24 0.10 3.56 4.39 0.27 -2.12 114.58 120.74 1pqn h GLU 43 Ca 0.00 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 1pqn h GLU 43 Cb 0.73 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1pqn h GLU 43 CO 0.03 0.16 -1.82 -0.24 -1.16 0.00 0.00 179.01 175.98 1pqn h VAL 44 N 0.25 0.80 -0.62 3.13 3.04 -1.46 -3.38 116.25 118.01 1pqn h VAL 44 Ca 0.20 -2.53 0.12 0.00 -1.01 0.00 0.00 66.70 63.49 1pqn h VAL 44 Cb 0.47 2.56 -0.12 0.00 -2.01 0.00 0.00 31.29 32.19 1pqn h VAL 44 CO -0.04 0.78 -0.16 -0.07 -1.01 0.00 0.00 177.57 177.08 1pqn h LEU 45 N 0.06 -0.60 -0.94 3.16 3.38 0.46 0.18 115.31 121.02 1pqn h LEU 45 Ca -0.35 0.19 0.17 0.00 0.09 0.00 0.00 57.88 57.98 1pqn h LEU 45 Cb 2.03 0.39 -0.10 0.00 0.09 0.00 0.00 40.66 43.07 1pqn h LEU 45 CO 0.11 -0.21 0.53 0.22 0.09 0.00 0.00 178.44 179.18 1pqn h TYR 46 N -0.00 0.92 -0.26 1.13 3.20 -1.67 0.71 116.97 120.99 1pqn h TYR 46 Ca 0.30 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.20 1pqn h TYR 46 Cb 0.46 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1pqn h TYR 46 CO -0.51 0.20 0.00 0.43 -1.64 0.00 0.00 178.16 176.64 1pqn n SER 47 N -4.82 1.88 -2.71 -2.11 7.64 0.40 -4.34 113.62 109.56 1pqn n SER 47 Ca 0.21 -1.84 -0.08 0.00 1.01 0.00 0.00 58.87 58.17 1pqn n SER 47 Cb 0.51 -0.17 0.09 0.00 -1.01 0.00 0.00 64.21 63.64 1pqn n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pqn n ILE 48 N 0.49 0.00 0.02 0.44 0.13 0.18 -5.02 119.36 115.59 1pqn n ILE 48 Ca 0.15 -1.35 0.00 0.00 -1.10 0.00 0.00 62.75 60.45 1pqn n ILE 48 Cb 0.34 1.30 0.00 0.00 -0.84 0.00 0.00 39.64 40.44 1pqn n ILE 48 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1pqn n ALA 49 N 0.14 1.15 -0.15 1.51 0.00 0.19 -4.61 120.51 118.75 1pqn n ALA 49 Ca 0.01 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.74 1pqn n ALA 49 Cb 0.74 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.88 1pqn n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1pqn h GLU 50 N 0.00 0.00 -0.77 0.00 -0.00 -1.80 0.16 114.58 112.17 1pqn h GLU 50 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 59.36 59.54 1pqn h GLU 50 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.70 1pqn h GLU 50 CO 0.00 0.00 0.52 1.57 -0.00 0.00 0.00 179.01 181.10 1pqn h LYS 51 N 0.00 0.24 -0.17 1.06 2.10 -1.90 -0.15 116.57 117.75 1pqn h LYS 51 Ca 0.41 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.99 1pqn h LYS 51 Cb 1.94 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 33.18 1pqn h LYS 51 CO -0.00 0.16 -0.14 1.33 -2.00 0.00 0.00 179.45 178.80 1pqn n VAL 52 N -4.43 2.26 -0.17 0.07 0.24 0.54 -4.73 118.33 112.11 1pqn n VAL 52 Ca 0.15 -2.56 0.27 0.00 -2.04 0.00 0.00 64.34 60.17 1pqn n VAL 52 Cb 0.66 -0.27 0.71 0.00 -1.47 0.00 0.00 33.84 33.47 1pqn n VAL 52 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pqn h LYS 53 N 0.93 0.03 -0.00 7.34 1.63 -0.95 0.43 116.57 125.97 1pqn h LYS 53 Ca 0.07 -0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.74 1pqn h LYS 53 Cb 1.31 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 1pqn h LYS 53 CO 0.17 0.02 -0.62 -0.91 -3.45 0.00 0.00 179.45 174.66 1pqn h ASN 54 N 0.03 0.00 1.54 4.20 2.35 -1.85 -3.02 115.58 118.83 1pqn h ASN 54 Ca 0.42 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 1pqn h ASN 54 Cb 1.63 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.99 1pqn h ASN 54 CO -0.02 0.62 -0.47 -0.26 -1.65 0.00 0.00 177.43 175.65 1pqn h PHE 55 N 0.00 0.00 -2.09 1.19 -1.00 -0.53 -3.47 116.94 111.05 1pqn h PHE 55 Ca -0.01 0.00 0.33 0.00 2.81 0.00 0.00 57.97 61.10 1pqn h PHE 55 Cb 1.10 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.59 1pqn h PHE 55 CO 0.00 0.16 0.87 0.00 -1.61 0.00 0.00 178.31 177.73 1pqn s ALA 56 N -3.16 -2.37 -0.09 2.45 0.00 -0.59 -2.60 121.76 115.40 1pqn s ALA 56 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 1pqn s ALA 56 Cb 0.07 0.83 0.05 0.00 0.00 0.00 0.00 23.12 24.06 1pqn s ALA 56 CO 0.73 -1.13 0.17 0.14 0.00 0.00 0.00 175.76 175.67 1pqn s VAL 57 N -2.08 -0.26 0.31 0.00 -7.23 -1.07 -3.91 120.40 106.16 1pqn s VAL 57 Ca 0.27 0.33 0.01 0.00 -1.81 0.00 0.00 61.98 60.79 1pqn s VAL 57 Cb -0.00 -0.31 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 1pqn s VAL 57 CO -0.01 0.14 0.49 -0.51 -0.31 0.00 0.00 175.10 174.91 1pqn s ILE 58 N 2.22 5.14 -0.02 -0.62 2.07 -1.26 -1.53 121.20 127.20 1pqn s ILE 58 Ca 0.02 -0.54 -0.29 0.00 -1.41 0.00 0.00 60.65 58.43 1pqn s ILE 58 Cb -0.12 -3.85 0.07 0.00 0.13 0.00 0.00 42.46 38.69 1pqn s ILE 58 CO -0.06 -0.47 0.64 -0.31 -1.91 0.00 0.00 174.94 172.83 1pqn s TYR 59 N -2.20 -0.61 0.21 3.50 2.02 0.41 -4.66 117.35 116.03 1pqn s TYR 59 Ca 0.39 0.98 -0.01 0.00 -0.37 0.00 0.00 57.07 58.05 1pqn s TYR 59 Cb -0.10 0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.82 1pqn s TYR 59 CO 0.34 -0.62 0.41 -0.51 -1.57 0.00 0.00 175.55 173.60 1pqn s LEU 60 N -1.37 4.21 0.10 -1.29 2.01 -0.96 -2.60 118.68 118.79 1pqn s LEU 60 Ca -0.10 0.42 0.07 0.00 0.01 0.00 0.00 54.13 54.54 1pqn s LEU 60 Cb -0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 46.19 42.96 1pqn s LEU 60 CO 0.07 -0.06 -0.18 -0.69 1.01 0.00 0.00 176.35 176.50 1pqn s VAL 61 N -1.90 1.54 -0.62 -1.59 1.01 -0.10 -0.84 120.40 117.90 1pqn s VAL 61 Ca 0.39 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 1pqn s VAL 61 Cb -0.11 -1.47 0.16 0.00 0.00 0.00 0.00 36.38 34.96 1pqn s VAL 61 CO 0.29 -0.16 0.43 -1.81 0.00 0.00 0.00 175.10 173.85 1pqn s ASP 62 N -2.00 5.28 0.59 3.32 1.01 -1.26 -2.48 116.67 121.13 1pqn s ASP 62 Ca 0.06 -2.80 0.29 0.00 0.71 0.00 0.00 52.55 50.80 1pqn s ASP 62 Cb -0.09 -1.86 1.45 0.00 1.01 0.00 0.00 42.92 43.43 1pqn s ASP 62 CO 0.04 -0.39 1.86 0.16 0.21 0.00 0.00 175.17 177.06 1pqn h ILE 63 N 5.33 0.33 0.08 0.77 -2.65 -1.86 0.47 117.51 119.98 1pqn h ILE 63 Ca -0.02 0.00 -0.31 0.00 1.03 0.00 0.00 64.86 65.56 1pqn h ILE 63 Cb 0.96 0.58 -0.02 0.00 -2.05 0.00 0.00 36.82 36.29 1pqn h ILE 63 CO 0.71 0.00 -1.61 0.74 0.03 0.00 0.00 178.15 178.03 1pqn h THR 64 N 0.00 1.04 0.04 0.16 2.02 -1.97 -3.35 112.91 110.83 1pqn h THR 64 Ca 0.22 -2.74 -0.22 0.00 0.77 0.00 0.00 66.41 64.43 1pqn h THR 64 Cb 1.26 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.31 1pqn h THR 64 CO -0.00 0.77 -1.00 -0.08 0.37 0.00 0.00 175.52 175.58 1pqn h GLU 65 N 0.05 0.24 -6.05 6.66 4.81 -1.02 -3.44 114.58 115.82 1pqn h GLU 65 Ca -0.27 -0.31 -0.58 0.00 -0.13 0.00 0.00 59.36 58.08 1pqn h GLU 65 Cb 2.00 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 31.43 1pqn h GLU 65 CO 0.13 1.06 -0.06 0.08 -0.73 0.00 0.00 179.01 179.48 1pqn s VAL 66 N -3.03 4.93 -1.26 0.32 1.01 0.13 -4.93 120.40 117.57 1pqn s VAL 66 Ca -0.03 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.00 1pqn s VAL 66 Cb 0.09 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1pqn s VAL 66 CO 0.85 0.46 2.81 -0.81 0.00 0.00 0.00 175.10 178.41 1pqn n PRO 67 N 2.52 3.10 0.00 2.72 -0.04 -1.26 -4.56 135.00 137.47 1pqn n PRO 67 Ca -0.09 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 1pqn n PRO 67 Cb 0.51 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 3.60 0.00 -3.15 3.54 9.92 -1.26 -4.86 116.55 124.33 1pqn n ASP 68 Ca 0.66 0.18 -0.19 0.00 -0.53 0.00 0.00 54.79 54.91 1pqn n ASP 68 Cb 0.28 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 1pqn n ASP 68 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1pqn n PHE 69 N -1.43 -0.27 0.00 1.24 -1.74 -1.26 -5.01 117.46 108.98 1pqn n PHE 69 Ca 0.00 -3.58 0.00 0.00 -0.56 0.00 0.00 57.45 53.31 1pqn n PHE 69 Cb 0.00 -0.22 0.00 0.00 1.52 0.00 0.00 39.48 40.78 1pqn n PHE 69 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1pqn n ASN 70 N 0.68 0.00 -2.99 5.98 3.02 -1.26 -4.34 115.26 116.34 1pqn n ASN 70 Ca 0.22 0.51 -0.14 0.00 -0.03 0.00 0.00 54.58 55.14 1pqn n ASN 70 Cb 0.62 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1pqn n ASN 70 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pqn n LYS 71 N -0.81 -2.27 0.00 3.52 4.01 -1.26 -1.07 118.16 120.28 1pqn n LYS 71 Ca 0.00 1.97 0.00 0.00 -0.51 0.00 0.00 58.31 59.77 1pqn n LYS 71 Cb 0.00 -4.97 0.00 0.00 -0.51 0.00 0.00 35.03 29.55 1pqn n LYS 71 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1pqn n MET 72 N -0.33 0.00 -1.11 1.97 2.81 -1.26 -1.32 117.12 117.87 1pqn n MET 72 Ca 0.07 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1pqn n MET 72 Cb 0.51 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.98 1pqn n MET 72 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1pqn n TYR 73 N 0.00 0.00 -0.32 2.03 9.36 -1.25 -4.94 117.16 122.04 1pqn n TYR 73 Ca 0.00 -0.47 0.28 0.00 3.32 0.00 0.00 57.90 61.02 1pqn n TYR 73 Cb 0.00 0.30 0.61 0.00 -0.63 0.00 0.00 39.34 39.62 1pqn n TYR 73 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1pqn h GLU 74 N 0.28 0.22 -5.26 2.98 4.57 0.22 -3.35 114.58 114.24 1pqn h GLU 74 Ca -0.44 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1pqn h GLU 74 Cb 1.53 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.07 1pqn h GLU 74 CO -0.17 0.15 0.01 -0.48 -1.18 0.00 0.00 179.01 177.34 1pqn s LEU 75 N -9.13 2.67 0.00 1.64 0.05 -1.25 -4.44 118.68 108.21 1pqn s LEU 75 Ca -0.07 -0.29 0.17 0.00 0.05 0.00 0.00 54.13 53.99 1pqn s LEU 75 Cb 0.24 -2.57 0.29 0.00 -2.05 0.00 0.00 46.19 42.11 1pqn s LEU 75 CO 0.80 -4.24 1.11 0.00 -0.55 0.00 0.00 176.35 173.47 1pqn n TYR 76 N 19.20 0.00 -3.36 3.48 4.19 -1.26 -5.07 117.16 134.34 1pqn n TYR 76 Ca 0.45 -0.48 -0.34 0.00 3.31 0.00 0.00 57.90 60.84 1pqn n TYR 76 Cb 0.44 0.04 -0.06 0.00 0.49 0.00 0.00 39.34 40.26 1pqn n TYR 76 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1pqn s ASP 77 N -1.66 6.76 0.04 2.98 1.01 -1.26 -5.03 116.67 119.51 1pqn s ASP 77 Ca 0.23 1.04 -0.18 0.00 0.71 0.00 0.00 52.55 54.35 1pqn s ASP 77 Cb 0.26 -2.28 -0.09 0.00 1.01 0.00 0.00 42.92 41.83 1pqn s ASP 77 CO -0.11 0.02 1.29 -0.65 0.21 0.00 0.00 175.17 175.92 1pqn h PRO 78 N 3.12 -0.49 0.00 8.23 0.11 -1.97 -3.49 132.00 137.51 1pqn h PRO 78 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pqn h PRO 78 Cb 1.18 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pqn h PRO 78 CO 0.67 -0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 1pqn s THR 80 N -2.00 0.00 0.12 0.00 -1.32 -1.25 -3.91 115.64 107.28 1pqn s THR 80 Ca 0.00 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1pqn s THR 80 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1pqn s THR 80 CO 0.00 0.00 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.51 1pqn s VAL 81 N 0.89 2.66 0.16 5.08 1.01 -1.23 -2.46 120.40 126.51 1pqn s VAL 81 Ca -0.06 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.21 1pqn s VAL 81 Cb -0.02 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1pqn s VAL 81 CO -0.10 0.11 0.41 -0.04 0.00 0.00 0.00 175.10 175.47 1pqn s MET 82 N -2.08 1.19 0.14 2.72 -1.94 -1.07 -3.47 119.30 114.79 1pqn s MET 82 Ca 0.17 -0.90 0.10 0.00 -1.71 0.00 0.00 55.69 53.35 1pqn s MET 82 Cb -0.10 0.46 -0.04 0.00 2.01 0.00 0.00 34.83 37.15 1pqn s MET 82 CO 0.09 -0.47 -0.24 -0.59 -0.01 0.00 0.00 175.02 173.80 1pqn s PHE 83 N -3.87 2.13 0.12 -0.03 -0.12 -1.07 -0.01 117.98 115.11 1pqn s PHE 83 Ca 0.09 -0.39 0.09 0.00 -0.05 0.00 0.00 56.93 56.66 1pqn s PHE 83 Cb 0.01 -1.12 -0.04 0.00 -0.63 0.00 0.00 43.02 41.25 1pqn s PHE 83 CO -0.06 0.34 -0.21 -0.06 -0.05 0.00 0.00 175.22 175.18 1pqn s PHE 84 N -1.34 1.88 -0.03 3.49 0.40 0.14 -1.98 117.98 120.54 1pqn s PHE 84 Ca 0.14 -0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 55.93 1pqn s PHE 84 Cb -0.09 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.45 1pqn s PHE 84 CO 0.07 0.25 0.28 0.12 0.70 0.00 0.00 175.22 176.63 1pqn s PHE 85 N -1.29 -0.17 -1.04 0.36 5.36 -1.09 -1.79 117.98 118.32 1pqn s PHE 85 Ca 0.09 0.31 -0.02 0.00 -0.96 0.00 0.00 56.93 56.35 1pqn s PHE 85 Cb -0.09 0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 1pqn s PHE 85 CO 0.05 -0.32 0.11 -2.13 -1.46 0.00 0.00 175.22 171.47 1pqn n ARG 86 N 1.66 -2.57 -3.08 10.12 3.00 -1.26 -0.94 116.66 123.59 1pqn n ARG 86 Ca -0.20 0.54 -0.13 0.00 -0.00 0.00 0.00 57.85 58.06 1pqn n ARG 86 Cb 0.56 -5.16 0.07 0.00 0.00 0.00 0.00 32.46 27.92 1pqn n ARG 86 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1pqn n ASN 87 N -1.90 -2.25 -4.03 6.15 5.15 -1.26 -5.04 115.26 112.08 1pqn n ASN 87 Ca -0.11 -0.46 -0.10 0.00 -0.60 0.00 0.00 54.58 53.32 1pqn n ASN 87 Cb 0.59 -3.93 -0.08 0.00 -0.53 0.00 0.00 39.78 35.83 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 -5.08 1.05 -0.07 1.20 1.02 -0.12 -5.12 119.74 112.63 1pqn s LYS 88 Ca 0.03 -1.27 -0.16 0.00 0.02 0.00 0.00 55.97 54.59 1pqn s LYS 88 Cb -0.01 0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1pqn s LYS 88 CO 0.54 -0.35 0.43 -1.01 -0.92 0.00 0.00 175.35 174.04 1pqn s HIS 89 N -3.99 3.60 -0.03 3.18 3.76 -1.26 -2.65 115.29 117.89 1pqn s HIS 89 Ca 0.19 0.90 -0.00 0.00 -0.15 0.00 0.00 55.06 56.00 1pqn s HIS 89 Cb 0.05 -2.42 0.03 0.00 1.11 0.00 0.00 32.58 31.35 1pqn s HIS 89 CO 0.00 0.37 0.03 0.42 -0.85 0.00 0.00 174.74 174.71 1pqn s ILE 90 N -0.10 0.03 0.00 0.60 -1.09 -0.84 -4.95 121.20 114.86 1pqn s ILE 90 Ca 0.24 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1pqn s ILE 90 Cb -0.16 -0.18 0.00 0.00 -1.58 0.00 0.00 42.46 40.55 1pqn s ILE 90 CO 0.11 0.13 0.00 0.23 -1.23 0.00 0.00 174.94 174.18 1pqn n MET 91 N 4.43 0.83 -0.85 2.79 2.81 -1.26 -2.61 117.12 123.27 1pqn n MET 91 Ca -0.22 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1pqn n MET 91 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.01 1pqn n MET 91 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1pqn n ILE 92 N -1.12 -4.11 -2.46 2.02 -0.00 -1.26 -4.02 119.36 108.41 1pqn n ILE 92 Ca 0.00 1.11 -0.02 0.00 -0.00 0.00 0.00 62.75 63.84 1pqn n ILE 92 Cb 0.00 -2.44 0.01 0.00 -0.00 0.00 0.00 39.64 37.21 1pqn n ILE 92 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1pqn n ASP 93 N 0.19 0.15 -0.34 4.38 9.92 -1.23 -3.42 116.55 126.20 1pqn n ASP 93 Ca 0.00 -1.12 -0.01 0.00 -0.53 0.00 0.00 54.79 53.12 1pqn n ASP 93 Cb 0.00 -0.06 0.14 0.00 -0.64 0.00 0.00 41.12 40.56 1pqn n ASP 93 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1pqn h LEU 94 N 0.00 1.08 0.00 0.64 3.38 -1.93 -3.44 115.31 115.04 1pqn h LEU 94 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pqn h LEU 94 Cb 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1pqn h LEU 94 CO 0.04 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.97 1pqn n GLY 95 N -1.38 2.66 3.87 0.83 0.00 -1.26 -4.09 105.19 105.82 1pqn n GLY 95 Ca 0.11 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1pqn n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pqn s THR 96 N 3.93 4.81 0.00 2.61 -1.32 -1.26 -4.92 115.64 119.48 1pqn s THR 96 Ca 0.00 0.60 0.00 0.00 -1.21 0.00 0.00 61.69 61.08 1pqn s THR 96 Cb 0.00 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 1pqn s THR 96 CO 0.00 -0.39 0.00 0.61 -2.21 0.00 0.00 174.62 172.63 1pqn n GLY 97 N -0.98 3.56 1.57 6.08 0.00 -1.26 -4.55 105.19 109.61 1pqn n GLY 97 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1pqn n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pqn n ASN 98 N 0.00 0.11 0.08 1.61 4.05 -1.26 -4.70 115.26 115.15 1pqn n ASN 98 Ca 0.00 0.10 -0.09 0.00 0.45 0.00 0.00 54.58 55.04 1pqn n ASN 98 Cb 0.00 0.03 -0.08 0.00 1.23 0.00 0.00 39.78 40.95 1pqn n ASN 98 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 177.26 174.99 1pqn h ASN 99 N 0.00 0.14 -3.76 1.20 4.21 -2.07 -3.41 115.58 111.89 1pqn h ASN 99 Ca 0.00 -0.13 -0.64 0.00 1.21 0.00 0.00 56.30 56.73 1pqn h ASN 99 Cb 0.00 -0.04 -0.40 0.00 -1.12 0.00 0.00 38.32 36.75 1pqn h ASN 99 CO 0.00 1.05 -0.71 0.20 -1.29 0.00 0.00 177.43 176.68 1pqn s ASN 100 N -6.85 4.53 0.30 5.81 -0.87 -1.26 -5.10 114.94 111.49 1pqn s ASN 100 Ca -0.01 -2.30 -0.28 0.00 -1.57 0.00 0.00 52.86 48.70 1pqn s ASN 100 Cb 0.10 -1.51 -0.14 0.00 -0.02 0.00 0.00 41.25 39.68 1pqn s ASN 100 CO 0.83 -0.35 0.99 2.29 -2.57 0.00 0.00 177.10 178.30 1pqn n LYS 101 N 4.04 1.32 -1.55 -0.60 0.00 -1.26 -4.75 118.16 115.37 1pqn n LYS 101 Ca 0.04 0.46 -0.32 0.00 -0.00 0.00 0.00 58.31 58.49 1pqn n LYS 101 Cb 0.39 -1.84 -0.04 0.00 -0.00 0.00 0.00 35.03 33.54 1pqn n LYS 101 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1pqn n ILE 102 N 0.15 -0.07 -0.06 0.58 5.41 -1.26 -4.67 119.36 119.44 1pqn n ILE 102 Ca 0.10 -0.73 -0.06 0.00 1.00 0.00 0.00 62.75 63.06 1pqn n ILE 102 Cb 0.32 -2.58 -0.08 0.00 -0.71 0.00 0.00 39.64 36.59 1pqn n ILE 102 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1pqn n ASN 103 N 16.26 2.37 0.04 4.38 3.02 -1.25 -3.53 115.26 136.55 1pqn n ASN 103 Ca 0.40 -0.01 0.07 0.00 -0.03 0.00 0.00 54.58 55.00 1pqn n ASN 103 Cb 0.51 0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 40.21 1pqn n ASN 103 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1pqn n TRP 104 N -2.49 0.62 -1.32 3.10 2.14 -1.26 -3.42 117.44 114.80 1pqn n TRP 104 Ca -0.19 0.19 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1pqn n TRP 104 Cb 0.85 -0.87 0.00 0.00 -0.81 0.00 0.00 31.31 30.48 1pqn n TRP 104 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1pqn n ALA 105 N -2.31 -1.91 0.00 -1.67 0.00 -1.26 -4.42 120.51 108.95 1pqn n ALA 105 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1pqn n ALA 105 Cb 0.68 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1pqn n ALA 105 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1pqn n MET 106 N -0.81 0.00 -0.99 0.00 0.00 -1.26 -4.97 117.12 109.08 1pqn n MET 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1pqn n MET 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1pqn n MET 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1pqn n GLU 107 N -0.09 -0.97 -0.91 2.12 0.00 -1.26 -4.85 120.64 114.68 1pqn n GLU 107 Ca 0.00 0.24 -0.34 0.00 0.00 0.00 0.00 57.16 57.07 1pqn n GLU 107 Cb 0.00 -3.98 0.11 0.00 0.00 0.00 0.00 31.44 27.57 1pqn n GLU 107 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pqn n ASP 108 N -0.48 -1.62 0.00 4.31 8.00 -1.26 -2.61 116.55 122.89 1pqn n ASP 108 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1pqn n ASP 108 Cb 0.24 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1pqn n ASP 108 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pqn n LYS 109 N -1.66 0.00 0.00 -1.24 4.81 -1.26 -4.66 118.16 114.14 1pqn n LYS 109 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1pqn n LYS 109 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1pqn n LYS 109 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pqn n GLN 110 N 0.00 0.00 0.01 1.64 6.02 -1.14 -3.68 117.38 120.22 1pqn n GLN 110 Ca 0.00 0.15 0.22 0.00 -0.01 0.00 0.00 57.00 57.36 1pqn n GLN 110 Cb 0.00 -0.56 0.72 0.00 1.02 0.00 0.00 30.24 31.43 1pqn n GLN 110 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1pqn h GLU 111 N 0.00 0.00 -0.35 -1.09 4.81 -1.77 0.32 114.58 116.50 1pqn h GLU 111 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1pqn h GLU 111 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1pqn h GLU 111 CO 0.00 0.00 0.06 0.52 -0.73 0.00 0.00 179.01 178.86 1pqn h MET 112 N 0.00 0.58 -0.76 1.92 2.86 -1.77 0.39 114.93 118.15 1pqn h MET 112 Ca 0.26 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1pqn h MET 112 Cb 1.16 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.71 1pqn h MET 112 CO -0.00 0.64 0.46 0.28 1.06 0.00 0.00 176.91 179.35 1pqn h VAL 113 N 0.42 1.21 0.20 -2.22 2.07 -1.01 0.42 116.25 117.34 1pqn h VAL 113 Ca 0.11 -0.46 -0.27 0.00 0.82 0.00 0.00 66.70 66.89 1pqn h VAL 113 Cb 0.34 0.14 0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1pqn h VAL 113 CO 0.01 0.22 -1.19 0.44 0.02 0.00 0.00 177.57 177.07 1pqn h ASP 114 N 1.05 0.70 0.25 0.57 3.32 -1.28 -2.80 116.42 118.23 1pqn h ASP 114 Ca 0.27 -0.92 -0.01 0.00 0.02 0.00 0.00 57.03 56.39 1pqn h ASP 114 Cb -0.04 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1pqn h ASP 114 CO -0.05 1.58 -0.12 0.40 -1.72 0.00 0.00 179.24 179.32 1pqn h ILE 115 N -0.05 0.63 -0.69 0.35 5.03 -0.06 -2.83 117.51 119.89 1pqn h ILE 115 Ca -0.21 -0.91 0.04 0.00 -0.12 0.00 0.00 64.86 63.66 1pqn h ILE 115 Cb 1.93 1.03 -0.04 0.00 -3.03 0.00 0.00 36.82 36.72 1pqn h ILE 115 CO 0.22 0.15 0.45 0.40 -0.68 0.00 0.00 178.15 178.70 1pqn h ILE 116 N -0.90 1.09 -0.70 -0.67 2.04 -0.31 0.24 117.51 118.31 1pqn h ILE 116 Ca -0.03 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1pqn h ILE 116 Cb 0.50 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1pqn h ILE 116 CO 0.06 0.15 0.25 -0.08 0.00 0.00 0.00 178.15 178.53 1pqn h GLU 117 N 0.82 1.06 0.05 2.37 4.81 -1.55 0.41 114.58 122.55 1pqn h GLU 117 Ca 0.28 -0.21 -0.23 0.00 -0.13 0.00 0.00 59.36 59.06 1pqn h GLU 117 Cb 0.08 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1pqn h GLU 117 CO -0.08 0.89 -1.08 1.15 -0.73 0.00 0.00 179.01 179.17 1pqn h THR 118 N 1.00 1.59 0.08 0.32 2.02 -1.11 -2.84 112.91 113.96 1pqn h THR 118 Ca 0.23 -3.12 -0.00 0.00 0.77 0.00 0.00 66.41 64.28 1pqn h THR 118 Cb 0.25 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1pqn h THR 118 CO -0.01 0.90 -0.04 0.58 0.37 0.00 0.00 175.52 177.32 1pqn h VAL 119 N 0.05 0.85 -0.73 3.16 2.07 -0.37 0.82 116.25 122.10 1pqn h VAL 119 Ca -0.07 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.07 1pqn h VAL 119 Cb 1.80 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 33.07 1pqn h VAL 119 CO 0.16 0.26 0.48 1.88 0.02 0.00 0.00 177.57 180.37 1pqn h TYR 120 N -0.95 0.84 0.06 1.57 -1.99 -0.34 0.82 116.97 116.98 1pqn h TYR 120 Ca -0.01 0.02 -0.32 0.00 2.00 0.00 0.00 58.73 60.42 1pqn h TYR 120 Cb 0.51 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1pqn h TYR 120 CO 0.11 0.48 -1.78 0.00 -0.00 0.00 0.00 178.16 176.98 1pqn h ARG 121 N 0.87 0.12 -0.00 4.88 3.08 -1.61 -3.28 114.38 118.43 1pqn h ARG 121 Ca 0.30 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1pqn h ARG 121 Cb 0.09 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1pqn h ARG 121 CO -0.09 0.81 -0.03 0.78 -1.07 0.00 0.00 179.97 180.38 1pqn h GLY 122 N 2.49 0.03 1.93 0.04 0.00 0.10 -3.23 103.07 104.44 1pqn h GLY 122 Ca -0.32 -0.04 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1pqn h GLY 122 CO 0.09 0.04 0.02 0.00 0.00 0.00 0.00 176.54 176.70 1pqn h ALA 123 N 0.29 1.84 -2.73 3.60 0.00 0.54 -3.44 119.26 119.36 1pqn h ALA 123 Ca -0.00 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1pqn h ALA 123 Cb 0.74 0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.70 1pqn h ALA 123 CO 0.01 -0.04 -0.01 -2.13 0.00 0.00 0.00 179.25 177.08 1pqn n ARG 124 N -4.25 0.70 -1.45 0.00 0.63 -1.22 -4.72 116.66 106.35 1pqn n ARG 124 Ca -0.02 0.28 0.19 0.00 -0.92 0.00 0.00 57.85 57.38 1pqn n ARG 124 Cb 0.12 -2.08 -0.06 0.00 0.45 0.00 0.00 32.46 30.89 1pqn n ARG 124 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1pqn n LYS 125 N -1.03 -2.99 -3.47 -0.14 4.81 -1.25 -4.90 118.16 109.19 1pqn n LYS 125 Ca 0.13 2.08 -0.17 0.00 -0.87 0.00 0.00 58.31 59.48 1pqn n LYS 125 Cb 0.48 -3.62 -0.12 0.00 0.02 0.00 0.00 35.03 31.79 1pqn n LYS 125 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1pqn s GLY 126 N -7.15 -0.05 0.13 3.14 0.00 -1.26 -5.02 107.32 97.11 1pqn s GLY 126 Ca 0.00 0.33 0.04 0.00 0.00 0.00 0.00 44.72 45.09 1pqn s GLY 126 CO 0.00 2.22 0.13 1.09 0.00 0.00 0.00 173.10 176.54 1pqn s ARG 127 N 2.35 2.97 0.00 2.90 1.70 -1.26 -5.28 118.95 122.33 1pqn s ARG 127 Ca 0.08 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1pqn s ARG 127 Cb -0.16 -2.72 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 1pqn s ARG 127 CO -0.13 0.52 0.00 0.41 -1.08 0.00 0.00 175.30 175.02