#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqn s VAL 2 N 0.00 4.00 0.52 3.15 1.01 -1.26 -1.04 120.40 126.78 1wqn s VAL 2 Ca 0.00 -1.40 -0.21 0.00 0.00 0.00 0.00 61.98 60.37 1wqn s VAL 2 Cb 0.00 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 1wqn s VAL 2 CO 0.00 -0.44 1.17 -0.36 0.00 0.00 0.00 175.10 175.47 1wqn s PHE 3 N 1.39 2.66 0.22 5.22 0.40 -0.31 -5.00 117.98 122.57 1wqn s PHE 3 Ca 0.02 1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 57.75 1wqn s PHE 3 Cb -0.22 -3.39 -0.08 0.00 0.51 0.00 0.00 43.02 39.85 1wqn s PHE 3 CO 0.02 -1.75 0.59 -1.21 0.70 0.00 0.00 175.22 173.57 1wqn s GLU 4 N -3.07 3.92 0.08 0.44 2.02 -1.26 -4.86 118.70 115.96 1wqn s GLU 4 Ca 0.70 0.44 -0.18 0.00 0.02 0.00 0.00 54.97 55.96 1wqn s GLU 4 Cb -0.28 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.20 1wqn s GLU 4 CO 0.32 0.34 1.30 -0.09 0.02 0.00 0.00 175.26 177.15 1wqn h ARG 5 N 2.83 -0.16 -0.00 1.61 2.43 -1.96 -1.37 114.38 117.76 1wqn h ARG 5 Ca -0.48 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1wqn h ARG 5 Cb 1.18 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1wqn h ARG 5 CO 0.67 -0.11 -0.24 0.00 -1.51 0.00 0.00 179.97 178.79 1wqn h GLU 7 N 0.00 0.70 -0.57 0.00 4.81 -1.80 -1.96 114.58 115.76 1wqn h GLU 7 Ca -0.00 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1wqn h GLU 7 Cb 0.42 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1wqn h GLU 7 CO 0.03 0.58 0.10 1.25 -0.73 0.00 0.00 179.01 180.24 1wqn h LEU 8 N 0.64 0.91 -0.38 1.64 5.85 -0.69 -2.14 115.31 121.14 1wqn h LEU 8 Ca 0.17 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1wqn h LEU 8 Cb 0.11 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 1wqn h LEU 8 CO -0.02 0.93 0.14 0.00 -0.34 0.00 0.00 178.44 179.15 1wqn h ALA 9 N 1.01 0.45 -0.57 1.25 0.00 -1.02 0.11 119.26 120.49 1wqn h ALA 9 Ca 0.18 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1wqn h ALA 9 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wqn h ALA 9 CO 0.01 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.06 1wqn h ARG 10 N 0.31 0.95 -0.22 0.00 3.08 -1.27 -2.34 114.38 114.88 1wqn h ARG 10 Ca 0.17 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1wqn h ARG 10 Cb 0.14 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1wqn h ARG 10 CO -0.17 0.91 0.10 1.15 -1.07 0.00 0.00 179.97 180.89 1wqn h THR 11 N 0.89 1.15 -0.77 2.04 2.02 -0.68 -2.12 112.91 115.43 1wqn h THR 11 Ca 0.17 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1wqn h THR 11 Cb 0.46 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1wqn h THR 11 CO 0.02 0.15 0.39 -0.07 0.37 0.00 0.00 175.52 176.38 1wqn h LEU 12 N 0.22 0.98 -0.54 2.58 3.38 -0.88 -1.65 115.31 119.39 1wqn h LEU 12 Ca 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1wqn h LEU 12 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1wqn h LEU 12 CO -0.01 0.81 0.15 0.50 0.09 0.00 0.00 178.44 179.98 1wqn h LYS 13 N 1.08 0.86 -0.07 1.13 3.64 -1.20 -2.01 116.57 120.00 1wqn h LYS 13 Ca 0.27 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1wqn h LYS 13 Cb 0.08 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1wqn h LYS 13 CO -0.04 0.80 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.66 1wqn h ARG 14 N 0.76 0.12 -0.03 1.90 2.43 -0.94 -1.47 114.38 117.15 1wqn h ARG 14 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1wqn h ARG 14 Cb 0.32 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1wqn h ARG 14 CO -0.00 0.32 0.00 1.28 -1.51 0.00 0.00 179.97 180.06 1wqn n LEU 15 N -4.25 0.49 -0.64 3.80 4.77 -0.66 -4.93 117.00 115.57 1wqn n LEU 15 Ca -0.02 -0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 1wqn n LEU 15 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1wqn n LEU 15 CO 0.38 0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 177.13 1wqn n GLY 16 N 0.98 0.44 0.14 -0.72 0.00 -0.55 -4.98 105.19 100.49 1wqn n GLY 16 Ca 0.19 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.64 1wqn n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1wqn h MET 17 N -0.19 0.00 -6.03 1.61 2.86 -1.56 -3.41 114.93 108.22 1wqn h MET 17 Ca -0.08 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.02 1wqn h MET 17 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1wqn h MET 17 CO 0.09 0.11 1.39 0.34 1.06 0.00 0.00 176.91 179.90 1wqn s ASP 18 N -5.76 5.38 0.00 1.22 2.15 -1.26 -2.10 116.67 116.30 1wqn s ASP 18 Ca 0.01 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1wqn s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1wqn s ASP 18 CO 0.76 -2.16 0.00 0.61 -0.17 0.00 0.00 175.17 174.21 1wqn n GLY 19 N 5.66 0.71 3.66 2.66 0.00 0.56 -4.89 105.19 113.55 1wqn n GLY 19 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1wqn n GLY 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wqn s PHE 20 N -2.14 1.61 -1.42 1.61 5.36 -0.89 -1.26 117.98 120.85 1wqn s PHE 20 Ca 0.00 -0.20 -0.10 0.00 -0.96 0.00 0.00 56.93 55.67 1wqn s PHE 20 Cb 0.00 -4.13 0.07 0.00 -0.34 0.00 0.00 43.02 38.61 1wqn s PHE 20 CO 0.00 -4.95 0.65 0.54 -1.46 0.00 0.00 175.22 170.00 1wqn n ARG 21 N 7.16 -4.21 -0.99 10.12 5.12 -1.26 -1.09 116.66 131.50 1wqn n ARG 21 Ca 0.19 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.69 1wqn n ARG 21 Cb 0.41 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.35 1wqn n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wqn n GLY 22 N -1.38 0.58 3.58 -0.13 0.00 -0.39 -5.00 105.19 102.46 1wqn n GLY 22 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1wqn n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wqn s ILE 23 N -2.39 5.23 0.71 -0.61 1.01 -0.25 -4.89 121.20 120.00 1wqn s ILE 23 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 60.65 60.79 1wqn s ILE 23 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1wqn s ILE 23 CO 0.00 0.13 1.13 -0.94 0.00 0.00 0.00 174.94 175.26 1wqn s SER 24 N 1.71 4.68 0.25 3.58 1.04 -1.26 -0.32 113.70 123.38 1wqn s SER 24 Ca 0.11 2.06 -0.05 0.00 0.48 0.00 0.00 55.95 58.56 1wqn s SER 24 Cb -0.16 -2.56 0.33 0.00 0.10 0.00 0.00 66.02 63.74 1wqn s SER 24 CO 0.11 -1.92 1.89 0.25 0.98 0.00 0.00 173.24 174.54 1wqn h LEU 25 N -0.34 1.01 -2.08 2.42 5.85 -1.90 -1.57 115.31 118.70 1wqn h LEU 25 Ca -0.46 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1wqn h LEU 25 Cb 1.26 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1wqn h LEU 25 CO 0.52 0.68 0.15 0.00 -0.34 0.00 0.00 178.44 179.44 1wqn h ALA 26 N 1.41 2.08 -0.03 1.25 0.00 -1.91 -0.71 119.26 121.34 1wqn h ALA 26 Ca 0.39 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.04 1wqn h ALA 26 Cb 0.06 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1wqn h ALA 26 CO -0.14 -0.24 -0.97 -0.91 0.00 0.00 0.00 179.25 176.98 1wqn h ASN 27 N 0.00 0.92 -0.64 0.00 2.35 -1.61 -1.41 115.58 115.19 1wqn h ASN 27 Ca 0.09 -0.71 -0.06 0.00 -0.55 0.00 0.00 56.30 55.07 1wqn h ASN 27 Cb 0.38 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1wqn h ASN 27 CO -0.00 1.50 0.19 -0.50 -1.65 0.00 0.00 177.43 176.97 1wqn h TRP 28 N 0.41 1.06 -0.25 1.19 4.06 -1.10 -0.68 115.95 120.64 1wqn h TRP 28 Ca -0.11 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.71 1wqn h TRP 28 Cb 1.62 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 29.47 1wqn h TRP 28 CO 0.10 0.85 0.06 0.52 -3.56 0.00 0.00 178.44 176.42 1wqn h MET 29 N 0.98 0.41 -0.91 0.49 2.86 -1.13 -1.47 114.93 116.16 1wqn h MET 29 Ca 0.21 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1wqn h MET 29 Cb 0.31 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1wqn h MET 29 CO -0.00 0.51 0.58 0.00 1.06 0.00 0.00 176.91 179.05 1wqn h LEU 31 N 1.24 -0.34 -1.13 0.00 5.85 -0.88 -2.56 115.31 117.49 1wqn h LEU 31 Ca 0.33 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1wqn h LEU 31 Cb -0.10 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1wqn h LEU 31 CO -0.07 -0.12 0.59 0.00 -0.34 0.00 0.00 178.44 178.51 1wqn h ALA 32 N 0.09 1.46 0.19 1.25 0.00 -1.09 0.90 119.26 122.06 1wqn h ALA 32 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wqn h ALA 32 Cb 0.41 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wqn h ALA 32 CO 0.07 0.43 -0.09 -0.22 0.00 0.00 0.00 179.25 179.43 1wqn h LYS 33 N 1.09 -0.25 0.00 0.00 1.63 -1.17 -1.06 116.57 116.81 1wqn h LYS 33 Ca 0.37 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 60.11 1wqn h LYS 33 Cb 0.10 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 1wqn h LYS 33 CO -0.13 -0.16 -0.40 -1.49 -3.45 0.00 0.00 179.45 173.82 1wqn h TRP 34 N -0.26 0.00 0.16 1.91 4.06 -1.19 -0.97 115.95 119.65 1wqn h TRP 34 Ca -0.03 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.71 1wqn h TRP 34 Cb 0.20 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1wqn h TRP 34 CO -0.06 0.40 -0.92 0.93 -3.56 0.00 0.00 178.44 175.23 1wqn h GLU 35 N 0.00 0.35 0.00 0.49 4.39 -0.78 -3.43 114.58 115.60 1wqn h GLU 35 Ca -0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1wqn h GLU 35 Cb 1.26 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1wqn h GLU 35 CO 0.05 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 178.05 1wqn n SER 36 N -4.06 0.03 -0.88 1.42 3.41 -0.46 -4.85 113.62 108.23 1wqn n SER 36 Ca -0.14 -0.24 -0.08 0.00 -0.26 0.00 0.00 58.87 58.15 1wqn n SER 36 Cb 0.86 0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 65.06 1wqn n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wqn n GLY 37 N 0.24 0.07 2.32 5.00 0.00 -0.37 -3.00 105.19 109.46 1wqn n GLY 37 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1wqn n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wqn n TYR 38 N -3.98 -0.56 -3.66 1.61 4.01 -1.14 -4.77 117.16 108.66 1wqn n TYR 38 Ca -0.09 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.27 1wqn n TYR 38 Cb 0.57 -3.03 -0.12 0.00 -0.31 0.00 0.00 39.34 36.45 1wqn n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1wqn s ASN 39 N -2.43 5.56 0.52 7.72 2.47 -1.16 -1.16 114.94 126.46 1wqn s ASN 39 Ca 0.00 -0.46 0.31 0.00 0.42 0.00 0.00 52.86 53.13 1wqn s ASN 39 Cb 0.00 -2.01 1.19 0.00 -1.45 0.00 0.00 41.25 38.99 1wqn s ASN 39 CO 0.00 -0.17 1.92 0.71 -3.72 0.00 0.00 177.10 175.84 1wqn h THR 40 N 5.63 0.09 -0.43 -5.21 1.35 -1.41 -3.09 112.91 109.83 1wqn h THR 40 Ca -0.33 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1wqn h THR 40 Cb 1.15 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1wqn h THR 40 CO 0.61 0.04 0.00 -2.11 -0.25 0.00 0.00 175.52 173.80 1wqn n ARG 41 N -3.14 2.31 -1.85 4.72 1.85 -1.26 -4.01 116.66 115.27 1wqn n ARG 41 Ca 0.01 -2.00 -0.42 0.00 -1.00 0.00 0.00 57.85 54.44 1wqn n ARG 41 Cb 0.35 -1.47 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 1wqn n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wqn s ALA 42 N -1.44 3.82 0.07 2.89 0.00 -1.17 -4.77 121.76 121.15 1wqn s ALA 42 Ca 0.38 1.46 0.05 0.00 0.00 0.00 0.00 51.96 53.85 1wqn s ALA 42 Cb 0.21 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1wqn s ALA 42 CO 0.29 -0.85 -0.13 0.95 0.00 0.00 0.00 175.76 176.02 1wqn s THR 43 N 0.96 1.03 -0.21 0.00 -4.23 -1.26 -0.38 115.64 111.54 1wqn s THR 43 Ca 0.70 -1.26 -0.04 0.00 -1.18 0.00 0.00 61.69 59.91 1wqn s THR 43 Cb -0.46 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 72.48 1wqn s THR 43 CO 0.34 -0.24 0.27 0.21 -0.54 0.00 0.00 174.62 174.66 1wqn s ASN 44 N -1.70 1.04 0.10 3.99 2.47 -0.45 -4.97 114.94 115.43 1wqn s ASN 44 Ca -0.03 -0.08 -0.30 0.00 0.42 0.00 0.00 52.86 52.87 1wqn s ASN 44 Cb -0.10 0.59 -0.06 0.00 -1.45 0.00 0.00 41.25 40.24 1wqn s ASN 44 CO 0.02 -0.32 0.99 -0.47 -3.72 0.00 0.00 177.10 173.61 1wqn s TYR 45 N 2.39 3.75 -0.73 0.43 5.04 -1.26 -0.81 117.35 126.16 1wqn s TYR 45 Ca 0.08 1.74 -0.08 0.00 -2.44 0.00 0.00 57.07 56.37 1wqn s TYR 45 Cb -0.16 -3.11 0.19 0.00 0.35 0.00 0.00 41.96 39.23 1wqn s TYR 45 CO -0.13 0.00 0.60 -0.80 -1.34 0.00 0.00 175.55 173.88 1wqn s ASN 46 N 0.16 5.96 0.49 4.32 0.01 0.08 -4.93 114.94 121.03 1wqn s ASN 46 Ca 0.48 -2.80 0.26 0.00 -0.71 0.00 0.00 52.86 50.09 1wqn s ASN 46 Cb -0.24 -2.02 1.33 0.00 0.41 0.00 0.00 41.25 40.73 1wqn s ASN 46 CO 0.30 -0.46 1.89 0.00 -1.51 0.00 0.00 177.10 177.32 1wqn h ALA 47 N 7.36 2.58 -0.74 0.60 0.00 -1.95 -0.37 119.26 126.74 1wqn h ALA 47 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wqn h ALA 47 Cb 0.99 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1wqn h ALA 47 CO 0.73 -0.83 0.49 0.78 0.00 0.00 0.00 179.25 180.42 1wqn h GLY 48 N 0.14 1.04 0.00 0.00 0.00 -1.94 -3.31 103.07 99.00 1wqn h GLY 48 Ca 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1wqn h GLY 48 CO -0.07 0.36 0.00 2.09 0.00 0.00 0.00 176.54 178.93 1wqn n ASP 49 N -4.43 0.84 -1.21 0.19 5.75 -0.96 -5.03 116.55 111.70 1wqn n ASP 49 Ca 0.08 -1.37 -0.14 0.00 -0.01 0.00 0.00 54.79 53.36 1wqn n ASP 49 Cb 0.05 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1wqn n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wqn n ARG 50 N -0.18 -1.01 -3.74 0.11 1.74 -0.19 -4.82 116.66 108.57 1wqn n ARG 50 Ca 0.00 0.91 -0.21 0.00 -0.77 0.00 0.00 57.85 57.78 1wqn n ARG 50 Cb 0.32 -5.05 -0.03 0.00 -1.02 0.00 0.00 32.46 26.68 1wqn n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wqn s SER 51 N -2.72 5.36 0.01 0.55 1.04 -1.23 -4.46 113.70 112.25 1wqn s SER 51 Ca 0.00 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1wqn s SER 51 Cb 0.00 -0.97 -0.01 0.00 0.10 0.00 0.00 66.02 65.14 1wqn s SER 51 CO 0.00 -0.39 -0.09 -0.89 0.98 0.00 0.00 173.24 172.85 1wqn s THR 52 N -2.30 0.69 -0.14 2.02 2.01 -1.26 -0.74 115.64 115.92 1wqn s THR 52 Ca 0.42 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1wqn s THR 52 Cb -0.06 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1wqn s THR 52 CO 0.27 0.02 0.24 -1.81 -0.69 0.00 0.00 174.62 172.65 1wqn s ASP 53 N -0.67 6.43 -0.05 3.53 1.01 0.01 -1.42 116.67 125.51 1wqn s ASP 53 Ca -0.00 0.51 0.06 0.00 0.71 0.00 0.00 52.55 53.83 1wqn s ASP 53 Cb -0.05 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1wqn s ASP 53 CO 0.00 0.22 -0.24 -0.31 0.21 0.00 0.00 175.17 175.05 1wqn s TYR 54 N -0.12 2.29 0.00 4.23 2.02 0.13 -1.33 117.35 124.56 1wqn s TYR 54 Ca 0.15 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 1wqn s TYR 54 Cb -0.13 -1.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.93 1wqn s TYR 54 CO 0.04 -0.19 0.00 0.41 -1.57 0.00 0.00 175.55 174.24 1wqn n GLY 55 N 2.91 -1.36 0.36 0.71 0.00 0.48 -1.54 105.19 106.75 1wqn n GLY 55 Ca -0.17 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.70 1wqn n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wqn h ILE 56 N 0.00 0.94 -0.06 -0.61 2.10 -1.68 -1.17 117.51 117.02 1wqn h ILE 56 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1wqn h ILE 56 Cb 0.00 0.28 0.00 0.00 -1.09 0.00 0.00 36.82 36.01 1wqn h ILE 56 CO 0.00 0.11 0.00 0.49 -1.08 0.00 0.00 178.15 177.67 1wqn n PHE 57 N -4.49 0.05 -3.66 2.19 3.72 -1.26 -3.97 117.46 110.04 1wqn n PHE 57 Ca 0.11 -0.02 -0.27 0.00 -0.05 0.00 0.00 57.45 57.22 1wqn n PHE 57 Cb 0.33 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.91 1wqn n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wqn n GLN 58 N 1.32 -2.26 -2.62 -1.08 1.13 -0.44 -4.91 117.38 108.51 1wqn n GLN 58 Ca 0.14 0.54 -0.42 0.00 -1.94 0.00 0.00 57.00 55.32 1wqn n GLN 58 Cb 0.58 -4.59 -0.03 0.00 0.11 0.00 0.00 30.24 26.31 1wqn n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wqn s ILE 59 N -3.55 4.61 0.12 5.09 1.01 -0.59 -4.40 121.20 123.49 1wqn s ILE 59 Ca 0.34 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.56 1wqn s ILE 59 Cb -0.11 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 1wqn s ILE 59 CO 0.84 0.14 1.02 0.21 0.00 0.00 0.00 174.94 177.16 1wqn s ASN 60 N 1.03 7.39 0.34 3.58 3.84 -1.26 -0.70 114.94 129.16 1wqn s ASN 60 Ca 0.54 1.89 0.27 0.00 0.21 0.00 0.00 52.86 55.77 1wqn s ASN 60 Cb -0.24 -2.59 1.09 0.00 -0.55 0.00 0.00 41.25 38.96 1wqn s ASN 60 CO 0.28 -0.16 1.79 0.77 -2.79 0.00 0.00 177.10 177.00 1wqn h SER 61 N 5.61 0.00 0.22 -4.21 4.64 -1.48 -2.19 113.55 116.13 1wqn h SER 61 Ca -0.43 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 1wqn h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1wqn h SER 61 CO 0.73 0.00 -0.38 -0.09 -0.87 0.00 0.00 176.83 176.22 1wqn h ARG 62 N 0.00 0.22 0.00 4.77 2.43 -1.84 -3.39 114.38 116.57 1wqn h ARG 62 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1wqn h ARG 62 Cb 0.42 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1wqn h ARG 62 CO 0.00 0.57 -0.89 0.66 -1.51 0.00 0.00 179.97 178.80 1wqn n TYR 63 N -4.06 0.00 -0.07 2.20 4.01 -1.20 -0.53 117.16 117.52 1wqn n TYR 63 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 1wqn n TYR 63 Cb 0.45 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.34 1wqn n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1wqn n TRP 64 N -2.11 0.52 -4.18 -0.72 7.02 -0.83 -0.82 117.44 116.32 1wqn n TRP 64 Ca 0.00 0.14 -0.11 0.00 -1.02 0.00 0.00 57.50 56.51 1wqn n TRP 64 Cb 0.44 -1.08 -0.10 0.00 -2.42 0.00 0.00 31.31 28.16 1wqn n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wqn s ASN 66 N -3.07 5.94 0.00 0.00 2.47 -0.14 -4.57 114.94 115.57 1wqn s ASN 66 Ca 0.13 0.03 0.01 0.00 0.42 0.00 0.00 52.86 53.45 1wqn s ASN 66 Cb 0.05 -2.08 0.01 0.00 -1.45 0.00 0.00 41.25 37.78 1wqn s ASN 66 CO -0.04 0.02 0.66 -0.90 -3.72 0.00 0.00 177.10 173.13 1wqn n ASP 67 N 4.57 1.35 0.00 -4.21 5.75 -1.26 -1.51 116.55 121.24 1wqn n ASP 67 Ca -0.15 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1wqn n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1wqn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wqn n GLY 68 N -0.07 1.99 0.89 6.12 0.00 -1.26 -4.72 105.19 108.14 1wqn n GLY 68 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 1wqn n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqn n LYS 69 N -0.81 2.03 -3.25 1.61 2.85 -1.26 -4.92 118.16 114.42 1wqn n LYS 69 Ca 0.00 -1.89 -0.40 0.00 -1.05 0.00 0.00 58.31 54.97 1wqn n LYS 69 Cb 0.00 -1.41 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 1wqn n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqn s THR 70 N -1.53 5.08 0.31 0.58 2.01 -1.26 -4.97 115.64 115.86 1wqn s THR 70 Ca 0.28 0.89 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 1wqn s THR 70 Cb 0.18 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.76 1wqn s THR 70 CO 0.26 0.11 1.49 -2.84 -0.69 0.00 0.00 174.62 172.96 1wqn s PRO 71 N 2.13 4.18 -1.62 4.92 0.02 -1.26 -3.42 135.00 139.95 1wqn s PRO 71 Ca 0.22 2.47 -0.14 0.00 0.02 0.00 0.00 61.00 63.57 1wqn s PRO 71 Cb -0.16 -3.03 0.11 0.00 0.02 0.00 0.00 34.50 31.45 1wqn s PRO 71 CO 0.09 -0.50 0.73 0.41 -0.33 0.00 0.00 177.00 177.39 1wqn n GLY 72 N 1.48 -0.40 3.94 0.52 0.00 -1.26 -4.95 105.19 104.52 1wqn n GLY 72 Ca 0.05 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1wqn n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqn s ALA 73 N -3.45 3.93 0.41 4.61 0.00 -1.22 -5.00 121.76 121.05 1wqn s ALA 73 Ca 0.56 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.58 1wqn s ALA 73 Cb -0.30 -1.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 1wqn s ALA 73 CO 0.91 0.48 0.05 0.14 0.00 0.00 0.00 175.76 177.33 1wqn s VAL 74 N -1.80 2.05 -0.55 0.00 -7.23 0.31 -5.00 120.40 108.19 1wqn s VAL 74 Ca 0.35 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1wqn s VAL 74 Cb -0.11 -2.98 0.22 0.00 0.56 0.00 0.00 36.38 34.07 1wqn s VAL 74 CO 0.29 0.00 0.56 -3.20 -0.31 0.00 0.00 175.10 172.44 1wqn n ASN 75 N -1.04 1.91 0.22 4.85 5.15 -1.22 -3.80 115.26 121.34 1wqn n ASN 75 Ca -0.04 -3.01 0.06 0.00 -0.60 0.00 0.00 54.58 50.98 1wqn n ASN 75 Cb 0.66 -0.66 0.51 0.00 -0.53 0.00 0.00 39.78 39.76 1wqn n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wqn h ALA 76 N 4.63 1.64 -0.00 5.20 0.00 -0.97 -1.71 119.26 128.06 1wqn h ALA 76 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wqn h ALA 76 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wqn h ALA 76 CO 0.63 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.99 1wqn n HIS 78 N -1.30 -1.98 -4.04 0.00 -0.00 -0.64 -4.98 115.22 102.27 1wqn n HIS 78 Ca 0.10 0.84 -0.08 0.00 -0.00 0.00 0.00 57.72 58.58 1wqn n HIS 78 Cb 0.31 -4.44 -0.10 0.00 -0.00 0.00 0.00 29.99 25.75 1wqn n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wqn s LEU 79 N -6.54 2.37 0.20 2.41 1.43 -1.26 -5.07 118.68 112.22 1wqn s LEU 79 Ca 0.05 -0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 52.08 1wqn s LEU 79 Cb -0.01 0.18 -0.08 0.00 0.03 0.00 0.00 46.19 46.30 1wqn s LEU 79 CO 0.80 -0.48 0.86 -0.55 0.23 0.00 0.00 176.35 177.20 1wqn s SER 80 N -2.34 7.51 0.65 2.29 0.15 -1.26 -0.97 113.70 119.73 1wqn s SER 80 Ca -0.02 1.79 0.40 0.00 0.70 0.00 0.00 55.95 58.82 1wqn s SER 80 Cb 0.01 -2.55 2.22 0.00 -1.71 0.00 0.00 66.02 63.98 1wqn s SER 80 CO -0.06 0.18 2.29 0.00 1.20 0.00 0.00 173.24 176.85 1wqn h SER 82 N 0.00 0.49 0.01 0.00 0.87 -1.91 -1.62 113.55 111.39 1wqn h SER 82 Ca 0.01 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wqn h SER 82 Cb 0.10 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1wqn h SER 82 CO -0.00 0.33 -0.00 0.00 -0.53 0.00 0.00 176.83 176.63 1wqn h ALA 83 N 1.69 1.63 -0.21 6.23 0.00 -1.48 -1.06 119.26 126.06 1wqn h ALA 83 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1wqn h ALA 83 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1wqn h ALA 83 CO -0.06 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1wqn n LEU 84 N -4.00 1.23 -0.29 0.00 4.77 -0.61 -3.55 117.00 114.55 1wqn n LEU 84 Ca -0.03 -0.60 0.03 0.00 -0.03 0.00 0.00 56.01 55.39 1wqn n LEU 84 Cb 0.09 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1wqn n LEU 84 CO 0.29 0.30 0.56 0.18 -1.33 0.00 0.00 177.39 177.39 1wqn n LEU 85 N 0.14 2.47 -4.88 2.23 4.77 -0.40 -3.31 117.00 118.02 1wqn n LEU 85 Ca 0.10 -2.13 -0.30 0.00 -0.03 0.00 0.00 56.01 53.65 1wqn n LEU 85 Cb 0.21 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1wqn n LEU 85 CO 0.07 0.61 0.70 -1.10 -1.33 0.00 0.00 177.39 176.34 1wqn s GLN 86 N -1.23 3.33 0.17 3.23 -0.21 -1.23 -4.55 119.66 119.17 1wqn s GLN 86 Ca 0.13 0.58 -0.01 0.00 0.02 0.00 0.00 55.36 56.08 1wqn s GLN 86 Cb 0.08 -2.10 0.04 0.00 1.00 0.00 0.00 33.01 32.04 1wqn s GLN 86 CO 0.07 -0.69 1.42 -0.44 -2.12 0.00 0.00 175.29 173.52 1wqn h ASP 87 N -0.37 0.43 -3.26 5.90 5.19 -1.93 -3.41 116.42 118.96 1wqn h ASP 87 Ca -0.45 -0.30 -0.57 0.00 -0.62 0.00 0.00 57.03 55.09 1wqn h ASP 87 Cb 1.21 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1wqn h ASP 87 CO 0.62 1.05 0.84 0.21 -3.12 0.00 0.00 179.24 178.84 1wqn s ASN 88 N -6.97 6.97 0.00 6.45 3.84 -1.26 -4.92 114.94 119.05 1wqn s ASN 88 Ca -0.05 1.12 0.08 0.00 0.21 0.00 0.00 52.86 54.22 1wqn s ASN 88 Cb 0.10 -2.54 0.26 0.00 -0.55 0.00 0.00 41.25 38.52 1wqn s ASN 88 CO 0.84 -0.84 1.20 2.30 -2.79 0.00 0.00 177.10 177.81 1wqn n ILE 89 N 5.76 0.30 -0.21 -5.21 -5.35 -1.26 -4.42 119.36 108.96 1wqn n ILE 89 Ca 0.12 -0.30 0.02 0.00 -0.27 0.00 0.00 62.75 62.31 1wqn n ILE 89 Cb 0.47 0.15 0.13 0.00 -1.74 0.00 0.00 39.64 38.65 1wqn n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wqn h ALA 90 N 3.46 0.80 -0.28 -1.28 0.00 -1.95 -0.12 119.26 119.89 1wqn h ALA 90 Ca 0.00 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1wqn h ALA 90 Cb 0.31 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wqn h ALA 90 CO 0.00 -0.27 -0.45 -0.44 0.00 0.00 0.00 179.25 178.09 1wqn h ASP 91 N 0.32 0.77 -0.59 0.00 3.32 -1.87 -1.92 116.42 116.46 1wqn h ASP 91 Ca 0.34 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1wqn h ASP 91 Cb 0.49 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1wqn h ASP 91 CO -0.39 1.11 0.12 0.00 -1.72 0.00 0.00 179.24 178.36 1wqn h ALA 92 N 0.92 1.05 -0.38 3.45 0.00 -1.61 -1.77 119.26 120.92 1wqn h ALA 92 Ca 0.04 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1wqn h ALA 92 Cb 1.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1wqn h ALA 92 CO 0.10 0.62 -0.31 0.28 0.00 0.00 0.00 179.25 179.93 1wqn h VAL 93 N 0.94 1.28 -0.16 0.00 2.07 -0.92 -0.39 116.25 119.06 1wqn h VAL 93 Ca 0.19 -1.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 1wqn h VAL 93 Cb 0.37 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1wqn h VAL 93 CO 0.01 0.49 -0.21 0.00 0.02 0.00 0.00 177.57 177.88 1wqn h ALA 94 N 0.78 1.35 -0.07 1.67 0.00 -1.12 -1.18 119.26 120.69 1wqn h ALA 94 Ca 0.07 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 1wqn h ALA 94 Cb 0.89 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wqn h ALA 94 CO 0.08 0.44 -0.88 0.00 0.00 0.00 0.00 179.25 178.89 1wqn h ALA 96 N 0.61 1.21 -0.86 0.00 0.00 -0.79 -0.27 119.26 119.17 1wqn h ALA 96 Ca -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1wqn h ALA 96 Cb 1.51 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1wqn h ALA 96 CO 0.17 0.61 0.42 0.87 0.00 0.00 0.00 179.25 181.32 1wqn h LYS 97 N 1.09 1.23 -0.24 0.00 1.57 -1.11 -2.48 116.57 116.65 1wqn h LYS 97 Ca 0.27 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1wqn h LYS 97 Cb 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1wqn h LYS 97 CO -0.04 0.94 0.11 -0.09 -0.57 0.00 0.00 179.45 179.80 1wqn h ARG 98 N 1.22 0.34 -0.28 3.15 9.65 -0.85 -2.86 114.38 124.75 1wqn h ARG 98 Ca 0.30 -0.05 0.06 0.00 -1.10 0.00 0.00 59.98 59.18 1wqn h ARG 98 Cb 0.11 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.56 1wqn h ARG 98 CO -0.04 0.36 -0.12 0.28 2.80 0.00 0.00 179.97 183.25 1wqn h VAL 99 N 0.24 0.61 0.00 0.20 2.07 -0.76 -2.05 116.25 116.56 1wqn h VAL 99 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1wqn h VAL 99 Cb 0.13 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1wqn h VAL 99 CO -0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.91 1wqn n VAL 100 N -5.29 0.35 0.77 2.57 0.24 -0.96 -2.33 118.33 113.67 1wqn n VAL 100 Ca -0.00 0.09 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 1wqn n VAL 100 Cb 0.21 -0.75 0.49 0.00 -1.47 0.00 0.00 33.84 32.32 1wqn n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1wqn n ARG 101 N -1.27 0.04 -2.70 7.34 0.63 -0.77 -4.14 116.66 115.79 1wqn n ARG 101 Ca 0.10 0.12 -0.30 0.00 -0.92 0.00 0.00 57.85 56.85 1wqn n ARG 101 Cb 0.16 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 31.49 1wqn n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1wqn s ASP 102 N -3.22 6.50 0.43 6.15 1.11 -0.99 -4.98 116.67 121.68 1wqn s ASP 102 Ca 0.11 1.20 0.27 0.00 0.18 0.00 0.00 52.55 54.32 1wqn s ASP 102 Cb 0.15 -2.36 1.35 0.00 1.07 0.00 0.00 42.92 43.13 1wqn s ASP 102 CO 0.45 -0.47 1.67 1.55 1.18 0.00 0.00 175.17 179.54 1wqn h PRO 103 N 1.01 0.16 -0.04 8.23 0.13 -1.89 -0.76 132.00 138.84 1wqn h PRO 103 Ca -0.47 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1wqn h PRO 103 Cb 1.19 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1wqn h PRO 103 CO 0.63 0.10 -0.28 1.96 -0.23 0.00 0.00 178.00 180.18 1wqn h GLN 104 N 0.16 0.08 0.00 0.86 4.20 -1.91 -3.48 115.11 115.02 1wqn h GLN 104 Ca 0.76 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.44 1wqn h GLN 104 Cb 2.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 30.08 1wqn h GLN 104 CO -0.37 0.36 0.00 0.41 -0.67 0.00 0.00 178.83 178.56 1wqn n GLY 105 N -0.65 2.16 0.29 3.46 0.00 -0.29 -2.12 105.19 108.04 1wqn n GLY 105 Ca -0.02 -0.52 0.17 0.00 0.00 0.00 0.00 46.02 45.65 1wqn n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wqn h ILE 106 N 0.00 0.33 0.00 -0.61 6.09 -1.90 -2.45 117.51 118.97 1wqn h ILE 106 Ca 0.00 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1wqn h ILE 106 Cb 0.00 1.19 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1wqn h ILE 106 CO 0.00 0.04 0.00 0.54 -3.07 0.00 0.00 178.15 175.66 1wqn n ARG 107 N -3.46 0.07 0.17 2.19 1.74 -0.90 -2.61 116.66 113.86 1wqn n ARG 107 Ca -0.02 0.47 0.17 0.00 -0.77 0.00 0.00 57.85 57.69 1wqn n ARG 107 Cb 0.16 -1.69 0.78 0.00 -1.02 0.00 0.00 32.46 30.70 1wqn n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wqn h ALA 108 N 2.16 1.96 -2.77 7.54 0.00 -1.58 -3.37 119.26 123.20 1wqn h ALA 108 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1wqn h ALA 108 Cb 0.12 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.75 1wqn h ALA 108 CO 0.00 -0.33 -0.48 -1.58 0.00 0.00 0.00 179.25 176.86 1wqn s TRP 109 N -4.76 3.23 0.46 0.00 0.51 -1.07 -4.96 118.94 112.34 1wqn s TRP 109 Ca -0.05 -0.09 0.17 0.00 -2.12 0.00 0.00 56.10 54.01 1wqn s TRP 109 Cb 0.16 -2.45 1.13 0.00 -0.81 0.00 0.00 33.47 31.50 1wqn s TRP 109 CO 0.60 -0.30 2.04 0.28 -0.51 0.00 0.00 176.95 179.06 1wqn h VAL 110 N 5.45 1.02 -0.20 4.03 2.07 -1.89 -1.64 116.25 125.09 1wqn h VAL 110 Ca -0.32 -0.50 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1wqn h VAL 110 Cb 1.17 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1wqn h VAL 110 CO 0.61 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 178.27 1wqn h ALA 111 N 1.86 1.50 -0.70 1.67 0.00 -1.93 -1.68 119.26 119.98 1wqn h ALA 111 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1wqn h ALA 111 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1wqn h ALA 111 CO 0.02 0.35 0.15 2.35 0.00 0.00 0.00 179.25 182.12 1wqn h TRP 112 N 0.30 1.20 -0.42 0.00 7.01 -1.62 -0.74 115.95 121.69 1wqn h TRP 112 Ca 0.07 -0.15 -0.05 0.00 2.11 0.00 0.00 58.89 60.86 1wqn h TRP 112 Cb 0.32 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1wqn h TRP 112 CO 0.01 0.99 0.07 0.00 -2.79 0.00 0.00 178.44 176.71 1wqn h ARG 113 N 1.07 0.69 -0.27 2.65 3.08 -1.40 0.13 114.38 120.34 1wqn h ARG 113 Ca 0.22 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1wqn h ARG 113 Cb 0.41 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1wqn h ARG 113 CO 0.01 0.73 -0.22 -0.91 -1.07 0.00 0.00 179.97 178.51 1wqn h ASN 114 N 0.55 0.65 -0.00 7.04 2.35 -1.15 -3.36 115.58 121.66 1wqn h ASN 114 Ca 0.13 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1wqn h ASN 114 Cb 0.37 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1wqn h ASN 114 CO 0.01 0.97 -0.03 -2.11 -1.65 0.00 0.00 177.43 174.62 1wqn n ARG 115 N -4.36 0.71 0.00 0.81 0.00 -0.30 -4.85 116.66 108.67 1wqn n ARG 115 Ca -0.04 -0.61 0.00 0.00 -0.00 0.00 0.00 57.85 57.20 1wqn n ARG 115 Cb 0.42 -1.01 0.00 0.00 -0.00 0.00 0.00 32.46 31.88 1wqn n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wqn n GLN 117 N -2.71 1.62 -2.44 0.00 7.27 0.13 -1.80 117.38 119.45 1wqn n GLN 117 Ca 0.00 0.58 -0.18 0.00 0.07 0.00 0.00 57.00 57.47 1wqn n GLN 117 Cb 0.46 -2.17 -0.01 0.00 2.41 0.00 0.00 30.24 30.93 1wqn n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1wqn n ASN 118 N 2.14 -5.24 -4.50 1.69 5.03 -1.26 -4.97 115.26 108.16 1wqn n ASN 118 Ca 0.13 0.04 -0.24 0.00 0.87 0.00 0.00 54.58 55.39 1wqn n ASN 118 Cb 0.28 -4.38 -0.10 0.00 -1.02 0.00 0.00 39.78 34.56 1wqn n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1wqn s ARG 119 N -5.07 1.72 -0.86 3.52 0.52 -0.74 -5.06 118.95 112.98 1wqn s ARG 119 Ca 0.01 -1.87 -0.25 0.00 -0.52 0.00 0.00 55.73 53.10 1wqn s ARG 119 Cb -0.01 -1.53 0.03 0.00 0.52 0.00 0.00 34.95 33.97 1wqn s ARG 119 CO 0.01 0.13 1.41 0.34 0.02 0.00 0.00 175.30 177.21 1wqn s ASP 120 N -3.54 6.21 0.00 0.23 -1.08 -1.26 -4.82 116.67 112.40 1wqn s ASP 120 Ca 0.31 -0.84 0.17 0.00 -0.52 0.00 0.00 52.55 51.67 1wqn s ASP 120 Cb 0.02 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.40 1wqn s ASP 120 CO 0.15 -1.77 1.40 1.33 0.52 0.00 0.00 175.17 176.79 1wqn n VAL 121 N 6.70 0.65 -0.28 1.11 0.24 -1.26 -4.41 118.33 121.08 1wqn n VAL 121 Ca 0.18 -0.67 0.08 0.00 -2.04 0.00 0.00 64.34 61.89 1wqn n VAL 121 Cb 0.50 0.39 0.31 0.00 -1.47 0.00 0.00 33.84 33.57 1wqn n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1wqn h ARG 122 N 3.08 0.83 -0.96 7.34 3.08 -1.92 -2.74 114.38 123.08 1wqn h ARG 122 Ca 0.00 -0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.27 1wqn h ARG 122 Cb 0.70 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1wqn h ARG 122 CO 0.00 0.55 0.69 -0.56 -1.07 0.00 0.00 179.97 179.57 1wqn h GLN 123 N 0.85 0.05 0.00 0.04 3.07 -1.97 -1.35 115.11 115.80 1wqn h GLN 123 Ca 0.42 -0.00 -0.03 0.00 0.09 0.00 0.00 58.65 59.13 1wqn h GLN 123 Cb 0.46 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.01 1wqn h GLN 123 CO -0.18 0.03 -0.13 1.88 0.09 0.00 0.00 178.83 180.52 1wqn h TYR 124 N 0.05 0.00 -0.00 0.06 0.05 -1.83 -3.27 116.97 112.04 1wqn h TYR 124 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.25 1wqn h TYR 124 Cb 1.77 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.51 1wqn h TYR 124 CO -0.00 0.13 -0.02 1.33 -1.05 0.00 0.00 178.16 178.55 1wqn n VAL 125 N -3.29 0.00 -1.98 -2.88 0.24 -0.56 -4.84 118.33 105.02 1wqn n VAL 125 Ca 0.00 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1wqn n VAL 125 Cb 0.37 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.75 1wqn n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1wqn s GLN 126 N -0.45 4.24 0.00 7.34 -1.52 -0.92 -2.66 119.66 125.69 1wqn s GLN 126 Ca 0.02 2.31 0.00 0.00 -1.95 0.00 0.00 55.36 55.74 1wqn s GLN 126 Cb 0.02 -3.16 0.00 0.00 -0.22 0.00 0.00 33.01 29.65 1wqn s GLN 126 CO 0.04 -0.55 0.00 0.41 -0.25 0.00 0.00 175.29 174.94 1wqn n GLY 127 N 3.43 0.76 0.20 3.09 0.00 -1.26 -4.93 105.19 106.49 1wqn n GLY 127 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1wqn n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqn n GLY 129 N 1.40 0.06 0.08 0.00 0.00 -1.26 -4.80 105.19 100.67 1wqn n GLY 129 Ca 0.10 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.59 1wqn n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65