#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqo s VAL 2 N 0.00 3.38 0.57 3.15 1.01 -1.26 -0.74 120.40 126.50 1wqo s VAL 2 Ca 0.00 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.16 1wqo s VAL 2 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1wqo s VAL 2 CO 0.00 -0.42 1.11 -0.36 0.00 0.00 0.00 175.10 175.43 1wqo s PHE 3 N 1.25 2.72 0.22 5.22 0.40 -0.60 -5.00 117.98 122.19 1wqo s PHE 3 Ca 0.02 1.55 -0.09 0.00 -0.60 0.00 0.00 56.93 57.81 1wqo s PHE 3 Cb -0.21 -3.20 -0.07 0.00 0.51 0.00 0.00 43.02 40.04 1wqo s PHE 3 CO -0.02 -1.48 0.53 -1.21 0.70 0.00 0.00 175.22 173.75 1wqo s GLU 4 N -3.58 3.78 0.07 0.44 2.02 -1.26 -4.87 118.70 115.30 1wqo s GLU 4 Ca 0.70 0.23 -0.16 0.00 0.02 0.00 0.00 54.97 55.76 1wqo s GLU 4 Cb -0.21 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1wqo s GLU 4 CO 0.31 0.33 1.27 -0.09 0.02 0.00 0.00 175.26 177.10 1wqo h ARG 5 N 2.54 -0.10 0.00 1.61 2.43 -1.96 -0.88 114.38 118.02 1wqo h ARG 5 Ca -0.47 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1wqo h ARG 5 Cb 1.17 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1wqo h ARG 5 CO 0.69 -0.07 -0.31 0.00 -1.51 0.00 0.00 179.97 178.78 1wqo h GLU 7 N 0.00 0.46 -0.54 0.00 4.81 -1.83 -0.89 114.58 116.59 1wqo h GLU 7 Ca -0.00 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1wqo h GLU 7 Cb 0.57 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1wqo h GLU 7 CO 0.04 0.50 0.18 1.25 -0.73 0.00 0.00 179.01 180.24 1wqo h LEU 8 N 0.33 0.77 -0.44 1.64 5.85 -0.66 -1.87 115.31 120.93 1wqo h LEU 8 Ca 0.10 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1wqo h LEU 8 Cb 0.22 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1wqo h LEU 8 CO -0.01 0.77 0.18 0.00 -0.34 0.00 0.00 178.44 179.04 1wqo h ALA 9 N 1.04 0.54 -0.20 1.25 0.00 -0.79 -0.61 119.26 120.49 1wqo h ALA 9 Ca 0.17 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1wqo h ALA 9 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1wqo h ALA 9 CO -0.01 -0.20 -0.29 0.00 0.00 0.00 0.00 179.25 178.75 1wqo h ARG 10 N 0.36 0.39 -0.25 0.00 3.08 -1.05 -2.57 114.38 114.34 1wqo h ARG 10 Ca 0.20 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1wqo h ARG 10 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1wqo h ARG 10 CO -0.19 0.65 0.03 1.15 -1.07 0.00 0.00 179.97 180.54 1wqo h THR 11 N 0.34 1.24 -0.48 2.04 2.02 -0.55 -2.37 112.91 115.15 1wqo h THR 11 Ca 0.05 -0.82 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1wqo h THR 11 Cb 0.69 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1wqo h THR 11 CO 0.05 0.26 0.07 -0.07 0.37 0.00 0.00 175.52 176.21 1wqo h LEU 12 N 0.23 0.70 -0.40 2.58 3.38 -1.03 -1.97 115.31 118.80 1wqo h LEU 12 Ca 0.08 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1wqo h LEU 12 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1wqo h LEU 12 CO 0.01 0.72 0.11 0.50 0.09 0.00 0.00 178.44 179.87 1wqo h LYS 13 N 0.72 0.64 0.00 1.13 3.64 -1.32 -1.42 116.57 119.96 1wqo h LYS 13 Ca 0.15 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1wqo h LYS 13 Cb 0.33 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1wqo h LYS 13 CO 0.00 0.65 -0.19 -0.09 -2.27 0.00 0.00 179.45 177.55 1wqo h ARG 14 N 0.51 0.00 -0.19 1.90 2.43 -1.07 -1.50 114.38 116.47 1wqo h ARG 14 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wqo h ARG 14 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1wqo h ARG 14 CO -0.00 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 179.93 1wqo n LEU 15 N -4.16 1.17 -0.65 3.80 4.77 -0.77 -4.92 117.00 116.25 1wqo n LEU 15 Ca -0.02 -0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 55.35 1wqo n LEU 15 Cb 0.26 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1wqo n LEU 15 CO 0.35 0.28 -0.06 0.61 -1.33 0.00 0.00 177.39 177.24 1wqo n GLY 16 N 0.92 0.17 0.14 -0.72 0.00 -0.57 -4.96 105.19 100.18 1wqo n GLY 16 Ca 0.11 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.58 1wqo n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1wqo h MET 17 N -0.04 0.00 -6.01 1.61 2.86 -1.44 -3.41 114.93 108.50 1wqo h MET 17 Ca -0.13 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 56.97 1wqo h MET 17 Cb 1.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1wqo h MET 17 CO 0.15 0.02 1.41 0.34 1.06 0.00 0.00 176.91 179.90 1wqo s ASP 18 N -5.64 5.37 0.00 1.22 2.15 -1.26 -2.00 116.67 116.50 1wqo s ASP 18 Ca 0.02 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.18 1wqo s ASP 18 Cb 0.08 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1wqo s ASP 18 CO 0.76 -2.15 0.00 0.61 -0.17 0.00 0.00 175.17 174.22 1wqo n GLY 19 N 5.67 0.60 3.67 2.66 0.00 0.93 -4.88 105.19 113.85 1wqo n GLY 19 Ca 0.27 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1wqo n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wqo s TYR 20 N -2.00 1.79 -1.40 1.61 5.04 -0.85 -1.51 117.35 120.03 1wqo s TYR 20 Ca 0.00 -0.13 -0.08 0.00 -2.44 0.00 0.00 57.07 54.42 1wqo s TYR 20 Cb 0.00 -4.14 0.05 0.00 0.35 0.00 0.00 41.96 38.23 1wqo s TYR 20 CO 0.00 -4.87 0.60 0.54 -1.34 0.00 0.00 175.55 170.48 1wqo n ARG 21 N 6.68 -4.21 -0.99 4.97 5.12 -1.26 -1.05 116.66 125.93 1wqo n ARG 21 Ca 0.18 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.74 1wqo n ARG 21 Cb 0.40 -5.42 0.00 0.00 -1.16 0.00 0.00 32.46 26.28 1wqo n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wqo n GLY 22 N -1.36 0.67 3.57 -0.13 0.00 -0.57 -4.99 105.19 102.38 1wqo n GLY 22 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1wqo n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wqo s ILE 23 N -2.73 5.18 0.61 -0.61 1.01 -0.21 -4.90 121.20 119.55 1wqo s ILE 23 Ca 0.00 0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 1wqo s ILE 23 Cb 0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1wqo s ILE 23 CO 0.00 0.02 1.11 -0.94 0.00 0.00 0.00 174.94 175.13 1wqo s SER 24 N 1.71 5.40 0.26 3.58 1.04 -1.26 -0.05 113.70 124.37 1wqo s SER 24 Ca 0.12 2.05 -0.03 0.00 0.48 0.00 0.00 55.95 58.58 1wqo s SER 24 Cb -0.16 -2.56 0.45 0.00 0.10 0.00 0.00 66.02 63.85 1wqo s SER 24 CO 0.11 -1.43 1.81 0.25 0.98 0.00 0.00 173.24 174.95 1wqo h LEU 25 N 0.50 0.71 -2.10 2.42 5.85 -1.90 -0.54 115.31 120.25 1wqo h LEU 25 Ca -0.48 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.34 1wqo h LEU 25 Cb 1.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1wqo h LEU 25 CO 0.55 0.39 0.13 0.00 -0.34 0.00 0.00 178.44 179.17 1wqo h ALA 26 N 1.49 2.03 -0.12 1.25 0.00 -1.92 -0.38 119.26 121.61 1wqo h ALA 26 Ca 0.43 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.12 1wqo h ALA 26 Cb 0.43 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wqo h ALA 26 CO -0.27 -0.21 -0.78 -0.91 0.00 0.00 0.00 179.25 177.08 1wqo h ASN 27 N 0.00 0.81 -0.54 0.00 2.35 -1.41 -1.41 115.58 115.37 1wqo h ASN 27 Ca 0.08 -0.53 -0.09 0.00 -0.55 0.00 0.00 56.30 55.20 1wqo h ASN 27 Cb 0.34 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1wqo h ASN 27 CO -0.00 1.32 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.59 1wqo h TRP 28 N 0.46 1.09 -0.47 1.19 4.06 -1.03 -0.93 115.95 120.30 1wqo h TRP 28 Ca -0.05 -0.18 -0.05 0.00 2.06 0.00 0.00 58.89 60.66 1wqo h TRP 28 Cb 1.39 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 1wqo h TRP 28 CO 0.07 0.97 0.09 0.52 -3.56 0.00 0.00 178.44 176.54 1wqo h MET 29 N 0.91 0.78 -0.81 0.49 2.86 -1.06 -0.32 114.93 117.77 1wqo h MET 29 Ca 0.16 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1wqo h MET 29 Cb 0.55 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1wqo h MET 29 CO 0.03 0.78 0.46 0.00 1.06 0.00 0.00 176.91 179.24 1wqo h LEU 31 N 1.13 -0.16 -1.15 0.00 5.85 -0.84 -2.31 115.31 117.83 1wqo h LEU 31 Ca 0.29 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1wqo h LEU 31 Cb 0.01 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1wqo h LEU 31 CO -0.05 0.09 0.58 0.00 -0.34 0.00 0.00 178.44 178.73 1wqo h ALA 32 N 0.40 1.48 0.01 1.25 0.00 -0.94 -0.07 119.26 121.39 1wqo h ALA 32 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wqo h ALA 32 Cb 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1wqo h ALA 32 CO 0.03 0.40 -0.01 -0.22 0.00 0.00 0.00 179.25 179.46 1wqo h LYS 33 N 1.06 -0.01 0.00 0.00 1.63 -1.14 -1.59 116.57 116.52 1wqo h LYS 33 Ca 0.37 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.08 1wqo h LYS 33 Cb 0.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1wqo h LYS 33 CO -0.13 0.05 -0.45 -1.49 -3.45 0.00 0.00 179.45 173.98 1wqo h TRP 34 N -0.08 0.00 0.02 1.91 4.06 -1.15 -2.16 115.95 118.56 1wqo h TRP 34 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 1wqo h TRP 34 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.23 1wqo h TRP 34 CO -0.06 0.45 -0.13 0.93 -3.56 0.00 0.00 178.44 176.08 1wqo h GLU 35 N 0.00 0.04 0.00 0.49 4.39 -1.01 -3.44 114.58 115.05 1wqo h GLU 35 Ca -0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1wqo h GLU 35 Cb 1.33 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1wqo h GLU 35 CO 0.06 1.03 0.00 -1.13 -1.16 0.00 0.00 179.01 177.81 1wqo n SER 36 N -4.54 0.04 -0.83 1.42 3.41 -0.64 -4.87 113.62 107.60 1wqo n SER 36 Ca -0.11 -0.35 -0.07 0.00 -0.26 0.00 0.00 58.87 58.08 1wqo n SER 36 Cb 0.53 0.59 -0.00 0.00 -0.26 0.00 0.00 64.21 65.06 1wqo n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wqo n GLY 37 N 0.59 0.07 2.32 5.00 0.00 -0.81 -2.93 105.19 109.42 1wqo n GLY 37 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1wqo n GLY 37 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wqo n PHE 38 N -4.01 -0.29 -3.66 1.61 3.72 -1.15 -4.79 117.46 108.89 1wqo n PHE 38 Ca -0.09 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.93 1wqo n PHE 38 Cb 0.57 -2.61 -0.12 0.00 -0.94 0.00 0.00 39.48 36.38 1wqo n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1wqo s ASN 39 N -2.65 5.58 0.50 4.37 2.47 -1.15 -1.56 114.94 122.50 1wqo s ASN 39 Ca 0.00 -0.29 0.32 0.00 0.42 0.00 0.00 52.86 53.30 1wqo s ASN 39 Cb 0.00 -2.02 1.27 0.00 -1.45 0.00 0.00 41.25 39.05 1wqo s ASN 39 CO 0.00 -0.11 1.93 0.71 -3.72 0.00 0.00 177.10 175.90 1wqo h THR 40 N 5.54 0.00 -0.27 -5.21 1.35 -1.26 -3.16 112.91 109.90 1wqo h THR 40 Ca -0.35 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1wqo h THR 40 Cb 1.17 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1wqo h THR 40 CO 0.59 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.75 1wqo n ARG 41 N -2.95 2.46 -1.75 4.72 1.85 -1.26 -4.06 116.66 115.68 1wqo n ARG 41 Ca 0.01 -2.18 -0.42 0.00 -1.00 0.00 0.00 57.85 54.26 1wqo n ARG 41 Cb 0.30 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 1wqo n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wqo s ALA 42 N -1.67 3.91 0.03 2.89 0.00 -1.20 -4.77 121.76 120.95 1wqo s ALA 42 Ca 0.35 1.57 0.03 0.00 0.00 0.00 0.00 51.96 53.92 1wqo s ALA 42 Cb 0.22 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1wqo s ALA 42 CO 0.31 -0.92 -0.10 0.95 0.00 0.00 0.00 175.76 176.00 1wqo s THR 43 N 1.04 0.78 -0.12 0.00 -4.23 -1.26 -0.63 115.64 111.22 1wqo s THR 43 Ca 0.73 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1wqo s THR 43 Cb -0.49 -0.73 0.05 0.00 1.34 0.00 0.00 72.50 72.68 1wqo s THR 43 CO 0.34 -0.06 0.12 0.21 -0.54 0.00 0.00 174.62 174.69 1wqo s ASN 44 N -0.96 1.49 -0.05 3.99 2.47 -0.50 -4.97 114.94 116.42 1wqo s ASN 44 Ca -0.01 -0.14 -0.26 0.00 0.42 0.00 0.00 52.86 52.86 1wqo s ASN 44 Cb -0.07 0.01 -0.03 0.00 -1.45 0.00 0.00 41.25 39.71 1wqo s ASN 44 CO 0.01 -0.30 0.82 -0.47 -3.72 0.00 0.00 177.10 173.44 1wqo s TYR 45 N 2.22 3.60 -0.62 0.43 5.04 -1.26 -0.41 117.35 126.35 1wqo s TYR 45 Ca 0.04 1.42 -0.14 0.00 -2.44 0.00 0.00 57.07 55.95 1wqo s TYR 45 Cb -0.14 -2.94 0.16 0.00 0.35 0.00 0.00 41.96 39.39 1wqo s TYR 45 CO -0.07 0.03 0.56 -0.80 -1.34 0.00 0.00 175.55 173.93 1wqo s ASN 46 N 0.90 6.26 0.34 4.32 0.01 0.08 -4.93 114.94 121.92 1wqo s ASN 46 Ca 0.43 -2.11 0.09 0.00 -0.71 0.00 0.00 52.86 50.56 1wqo s ASN 46 Cb -0.19 -2.17 0.83 0.00 0.41 0.00 0.00 41.25 40.13 1wqo s ASN 46 CO 0.22 -0.74 1.82 0.00 -1.51 0.00 0.00 177.10 176.89 1wqo h ALA 47 N 8.44 1.84 -0.82 0.60 0.00 -1.95 -1.21 119.26 126.15 1wqo h ALA 47 Ca -0.16 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1wqo h ALA 47 Cb 1.07 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1wqo h ALA 47 CO 0.92 -0.15 0.47 0.78 0.00 0.00 0.00 179.25 181.27 1wqo h GLY 48 N 0.68 1.27 -0.04 0.00 0.00 -1.95 -3.30 103.07 99.73 1wqo h GLY 48 Ca 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1wqo h GLY 48 CO -0.28 0.13 -0.02 2.09 0.00 0.00 0.00 176.54 178.46 1wqo n ASP 49 N -4.75 1.42 -1.40 0.19 5.75 -1.02 -5.02 116.55 111.73 1wqo n ASP 49 Ca 0.13 -1.82 -0.16 0.00 -0.01 0.00 0.00 54.79 52.93 1wqo n ASP 49 Cb 0.28 -0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.27 1wqo n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1wqo n ARG 50 N -0.43 -1.15 -3.80 0.11 1.74 -0.49 -4.80 116.66 107.85 1wqo n ARG 50 Ca 0.01 0.97 -0.21 0.00 -0.77 0.00 0.00 57.85 57.85 1wqo n ARG 50 Cb 0.37 -5.20 -0.04 0.00 -1.02 0.00 0.00 32.46 26.57 1wqo n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wqo s SER 51 N -2.66 5.26 -0.00 0.55 1.04 -1.23 -4.44 113.70 112.23 1wqo s SER 51 Ca 0.00 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1wqo s SER 51 Cb 0.00 -0.94 -0.01 0.00 0.10 0.00 0.00 66.02 65.17 1wqo s SER 51 CO 0.00 -0.37 -0.09 -0.89 0.98 0.00 0.00 173.24 172.87 1wqo s THR 52 N -2.32 0.71 -0.12 2.02 2.01 -1.26 -0.74 115.64 115.94 1wqo s THR 52 Ca 0.41 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1wqo s THR 52 Cb -0.06 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 1wqo s THR 52 CO 0.27 0.15 0.27 -1.81 -0.69 0.00 0.00 174.62 172.81 1wqo s ASP 53 N -0.35 6.49 -0.06 3.53 1.01 0.45 -1.44 116.67 126.31 1wqo s ASP 53 Ca 0.02 0.57 0.05 0.00 0.71 0.00 0.00 52.55 53.91 1wqo s ASP 53 Cb -0.04 -2.17 -0.00 0.00 1.01 0.00 0.00 42.92 41.72 1wqo s ASP 53 CO -0.00 0.22 -0.20 -0.31 0.21 0.00 0.00 175.17 175.08 1wqo s TYR 54 N -0.17 2.07 0.00 4.23 1.51 0.18 -1.41 117.35 123.76 1wqo s TYR 54 Ca 0.17 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1wqo s TYR 54 Cb -0.13 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1wqo s TYR 54 CO 0.05 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.66 1wqo n GLY 55 N 3.22 -1.76 0.35 0.71 0.00 0.20 -1.70 105.19 106.21 1wqo n GLY 55 Ca -0.19 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.54 1wqo n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wqo h ILE 56 N 0.00 1.06 -0.19 -0.61 2.10 -1.69 -1.62 117.51 116.56 1wqo h ILE 56 Ca 0.00 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.65 1wqo h ILE 56 Cb 0.00 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 35.86 1wqo h ILE 56 CO 0.00 0.15 0.00 0.49 -1.08 0.00 0.00 178.15 177.71 1wqo n PHE 57 N -4.47 0.22 -3.80 2.19 3.72 -1.26 -3.80 117.46 110.26 1wqo n PHE 57 Ca 0.11 -0.11 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 1wqo n PHE 57 Cb 0.19 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.75 1wqo n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wqo n GLN 58 N 1.20 -1.97 -2.58 -1.08 1.13 -0.61 -4.91 117.38 108.57 1wqo n GLN 58 Ca 0.17 0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 55.22 1wqo n GLN 58 Cb 0.55 -4.18 -0.03 0.00 0.11 0.00 0.00 30.24 26.70 1wqo n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wqo s ILE 59 N -3.64 4.51 0.09 5.09 1.01 -0.69 -4.39 121.20 123.18 1wqo s ILE 59 Ca 0.30 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 1wqo s ILE 59 Cb -0.12 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1wqo s ILE 59 CO 0.88 0.11 1.00 0.21 0.00 0.00 0.00 174.94 177.14 1wqo s ASN 60 N 1.09 7.40 0.42 3.58 3.84 -1.26 -0.65 114.94 129.36 1wqo s ASN 60 Ca 0.54 1.81 0.29 0.00 0.21 0.00 0.00 52.86 55.72 1wqo s ASN 60 Cb -0.24 -2.58 1.35 0.00 -0.55 0.00 0.00 41.25 39.23 1wqo s ASN 60 CO 0.27 -0.17 1.88 0.77 -2.79 0.00 0.00 177.10 177.06 1wqo h SER 61 N 5.94 0.00 0.77 -4.21 4.64 -1.48 -2.33 113.55 116.88 1wqo h SER 61 Ca -0.42 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.80 1wqo h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1wqo h SER 61 CO 0.73 0.00 -0.43 -0.09 -0.87 0.00 0.00 176.83 176.17 1wqo h ARG 62 N 0.00 0.00 0.00 4.77 2.43 -1.83 -3.40 114.38 116.35 1wqo h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wqo h ARG 62 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1wqo h ARG 62 CO 0.00 0.43 -0.80 0.66 -1.51 0.00 0.00 179.97 178.75 1wqo n TYR 63 N -3.62 0.00 -0.07 2.20 4.01 -1.19 -0.35 117.16 118.14 1wqo n TYR 63 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 1wqo n TYR 63 Cb 0.53 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.42 1wqo n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1wqo n TRP 64 N -2.14 0.46 -4.17 -0.72 7.02 -0.88 -0.82 117.44 116.18 1wqo n TRP 64 Ca 0.00 0.12 -0.11 0.00 -1.02 0.00 0.00 57.50 56.50 1wqo n TRP 64 Cb 0.40 -1.07 -0.10 0.00 -2.42 0.00 0.00 31.31 28.12 1wqo n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wqo s ASN 66 N -3.05 5.79 0.00 0.00 2.47 -0.10 -4.54 114.94 115.50 1wqo s ASN 66 Ca 0.12 0.04 0.00 0.00 0.42 0.00 0.00 52.86 53.44 1wqo s ASN 66 Cb 0.05 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1wqo s ASN 66 CO -0.04 0.07 0.52 -0.90 -3.72 0.00 0.00 177.10 173.03 1wqo n ASP 67 N 4.23 1.04 0.00 -4.21 5.68 -1.26 -0.97 116.55 121.05 1wqo n ASP 67 Ca -0.16 -1.05 0.00 0.00 -0.50 0.00 0.00 54.79 53.08 1wqo n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1wqo n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wqo n GLY 68 N -0.03 2.05 0.63 6.12 0.00 -1.26 -4.75 105.19 107.96 1wqo n GLY 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1wqo n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqo n LYS 69 N -1.74 1.32 -3.22 1.61 2.85 -1.26 -4.94 118.16 112.77 1wqo n LYS 69 Ca 0.00 -1.51 -0.40 0.00 -1.05 0.00 0.00 58.31 55.35 1wqo n LYS 69 Cb 0.00 -1.29 -0.07 0.00 -0.65 0.00 0.00 35.03 33.01 1wqo n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqo s THR 70 N -1.19 5.07 0.33 0.58 2.01 -1.26 -4.97 115.64 116.21 1wqo s THR 70 Ca 0.19 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.83 1wqo s THR 70 Cb 0.13 -3.84 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 1wqo s THR 70 CO 0.19 0.10 1.52 -2.84 -0.69 0.00 0.00 174.62 172.90 1wqo s PRO 71 N 2.18 4.13 -1.67 4.92 0.02 -1.26 -3.40 135.00 139.91 1wqo s PRO 71 Ca 0.22 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 63.65 1wqo s PRO 71 Cb -0.16 -3.00 0.13 0.00 0.02 0.00 0.00 34.50 31.50 1wqo s PRO 71 CO 0.09 -0.56 0.66 0.41 -0.33 0.00 0.00 177.00 177.27 1wqo n GLY 72 N 1.26 -0.38 3.97 0.52 0.00 -1.26 -4.95 105.19 104.35 1wqo n GLY 72 Ca 0.04 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1wqo n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqo s ALA 73 N -3.46 3.92 0.47 4.61 0.00 -1.22 -5.01 121.76 121.07 1wqo s ALA 73 Ca 0.59 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1wqo s ALA 73 Cb -0.33 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1wqo s ALA 73 CO 0.94 0.25 0.03 0.14 0.00 0.00 0.00 175.76 177.12 1wqo s VAL 74 N -1.98 1.16 -0.45 0.00 -7.23 0.53 -4.99 120.40 107.44 1wqo s VAL 74 Ca 0.34 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1wqo s VAL 74 Cb -0.09 -2.33 0.22 0.00 0.56 0.00 0.00 36.38 34.74 1wqo s VAL 74 CO 0.29 0.00 0.50 -3.20 -0.31 0.00 0.00 175.10 172.38 1wqo n ASN 75 N -1.21 0.64 0.10 4.85 5.15 -1.22 -3.81 115.26 119.76 1wqo n ASN 75 Ca -0.14 -2.73 0.02 0.00 -0.60 0.00 0.00 54.58 51.12 1wqo n ASN 75 Cb 0.67 -0.63 0.37 0.00 -0.53 0.00 0.00 39.78 39.66 1wqo n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wqo h ALA 76 N 4.57 1.48 -0.00 5.20 0.00 -0.97 -1.33 119.26 128.20 1wqo h ALA 76 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wqo h ALA 76 Cb 0.85 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wqo h ALA 76 CO 0.50 0.37 -0.05 0.00 0.00 0.00 0.00 179.25 180.07 1wqo n HIS 78 N -1.34 -2.08 -4.01 0.00 -0.00 -0.50 -4.98 115.22 102.31 1wqo n HIS 78 Ca 0.11 0.79 -0.08 0.00 -0.00 0.00 0.00 57.72 58.53 1wqo n HIS 78 Cb 0.29 -4.26 -0.10 0.00 -0.00 0.00 0.00 29.99 25.92 1wqo n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1wqo s LEU 79 N -6.29 2.26 0.27 2.41 1.43 -1.26 -5.07 118.68 112.43 1wqo s LEU 79 Ca 0.20 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 1wqo s LEU 79 Cb -0.05 0.20 -0.09 0.00 0.03 0.00 0.00 46.19 46.28 1wqo s LEU 79 CO 0.79 -0.42 0.94 -0.55 0.23 0.00 0.00 176.35 177.35 1wqo s SER 80 N -2.00 7.54 0.65 2.29 0.15 -1.26 -0.93 113.70 120.15 1wqo s SER 80 Ca -0.07 1.92 0.42 0.00 0.70 0.00 0.00 55.95 58.91 1wqo s SER 80 Cb -0.03 -2.60 2.30 0.00 -1.71 0.00 0.00 66.02 63.98 1wqo s SER 80 CO -0.04 0.08 2.34 0.00 1.20 0.00 0.00 173.24 176.82 1wqo h SER 82 N 0.00 0.39 0.30 0.00 0.87 -1.91 -1.55 113.55 111.66 1wqo h SER 82 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1wqo h SER 82 Cb 0.02 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1wqo h SER 82 CO 0.00 0.26 -0.07 0.00 -0.53 0.00 0.00 176.83 176.49 1wqo h ALA 83 N 1.74 1.26 -0.21 6.23 0.00 -1.67 -1.45 119.26 125.16 1wqo h ALA 83 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wqo h ALA 83 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wqo h ALA 83 CO -0.05 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1wqo n LEU 84 N -3.55 1.33 -0.35 0.00 4.77 -0.58 -3.43 117.00 115.18 1wqo n LEU 84 Ca -0.02 -0.63 0.03 0.00 -0.03 0.00 0.00 56.01 55.36 1wqo n LEU 84 Cb 0.19 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.22 1wqo n LEU 84 CO 0.28 0.31 0.55 0.18 -1.33 0.00 0.00 177.39 177.38 1wqo n LEU 85 N 0.17 2.43 -4.84 2.23 4.77 -0.55 -3.36 117.00 117.86 1wqo n LEU 85 Ca 0.11 -1.91 -0.31 0.00 -0.03 0.00 0.00 56.01 53.88 1wqo n LEU 85 Cb 0.23 -0.12 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1wqo n LEU 85 CO 0.08 0.60 0.72 -1.10 -1.33 0.00 0.00 177.39 176.36 1wqo s GLN 86 N -0.96 3.03 0.14 3.23 -0.21 -1.22 -4.51 119.66 119.16 1wqo s GLN 86 Ca 0.13 0.80 0.00 0.00 0.02 0.00 0.00 55.36 56.31 1wqo s GLN 86 Cb 0.07 -2.01 -0.09 0.00 1.00 0.00 0.00 33.01 31.98 1wqo s GLN 86 CO 0.09 -0.99 1.31 -0.44 -2.12 0.00 0.00 175.29 173.14 1wqo h ASP 87 N -0.63 0.33 -3.35 5.90 5.19 -1.92 -3.42 116.42 118.52 1wqo h ASP 87 Ca -0.44 -0.29 -0.58 0.00 -0.62 0.00 0.00 57.03 55.10 1wqo h ASP 87 Cb 1.22 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 40.55 1wqo h ASP 87 CO 0.59 1.12 0.76 0.21 -3.12 0.00 0.00 179.24 178.80 1wqo s ASN 88 N -6.99 6.87 -0.02 6.45 3.84 -1.26 -4.91 114.94 118.92 1wqo s ASN 88 Ca -0.03 0.94 0.07 0.00 0.21 0.00 0.00 52.86 54.05 1wqo s ASN 88 Cb 0.09 -2.52 0.24 0.00 -0.55 0.00 0.00 41.25 38.52 1wqo s ASN 88 CO 0.85 -0.85 1.12 2.30 -2.79 0.00 0.00 177.10 177.73 1wqo n ILE 89 N 5.85 0.50 -0.17 -5.21 -5.35 -1.26 -4.41 119.36 109.31 1wqo n ILE 89 Ca 0.10 -0.38 -0.03 0.00 -0.27 0.00 0.00 62.75 62.18 1wqo n ILE 89 Cb 0.47 0.02 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 1wqo n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wqo h ALA 90 N 3.27 0.67 -0.41 -1.28 0.00 -1.95 -0.08 119.26 119.48 1wqo h ALA 90 Ca 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1wqo h ALA 90 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1wqo h ALA 90 CO 0.04 -0.17 -0.31 -0.44 0.00 0.00 0.00 179.25 178.38 1wqo h ASP 91 N 0.42 0.95 -0.56 0.00 3.32 -1.87 -1.81 116.42 116.87 1wqo h ASP 91 Ca 0.25 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 1wqo h ASP 91 Cb 0.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1wqo h ASP 91 CO -0.23 1.18 0.20 0.00 -1.72 0.00 0.00 179.24 178.67 1wqo h ALA 92 N 0.88 1.23 -0.28 3.45 0.00 -1.67 -0.44 119.26 122.43 1wqo h ALA 92 Ca 0.08 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1wqo h ALA 92 Cb 0.88 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wqo h ALA 92 CO 0.08 0.55 -0.41 0.28 0.00 0.00 0.00 179.25 179.75 1wqo h VAL 93 N 0.87 1.29 -0.50 0.00 2.07 -0.87 -0.61 116.25 118.50 1wqo h VAL 93 Ca 0.20 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1wqo h VAL 93 Cb 0.23 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1wqo h VAL 93 CO -0.01 0.51 0.09 0.00 0.02 0.00 0.00 177.57 178.19 1wqo h ALA 94 N 0.68 1.23 -0.13 1.67 0.00 -1.00 -0.75 119.26 120.96 1wqo h ALA 94 Ca 0.03 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1wqo h ALA 94 Cb 1.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wqo h ALA 94 CO 0.09 0.53 -0.73 0.00 0.00 0.00 0.00 179.25 179.14 1wqo h ALA 96 N 0.75 1.05 -0.86 0.00 0.00 -0.86 -0.98 119.26 118.36 1wqo h ALA 96 Ca -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1wqo h ALA 96 Cb 1.34 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1wqo h ALA 96 CO 0.14 0.67 0.52 0.87 0.00 0.00 0.00 179.25 181.44 1wqo h LYS 97 N 1.15 1.17 -0.64 0.00 1.57 -1.03 -2.29 116.57 116.50 1wqo h LYS 97 Ca 0.26 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1wqo h LYS 97 Cb 0.23 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1wqo h LYS 97 CO -0.02 0.83 0.31 -0.09 -0.57 0.00 0.00 179.45 179.91 1wqo h ARG 98 N 1.19 0.92 -0.36 3.15 9.65 -0.88 -2.90 114.38 125.14 1wqo h ARG 98 Ca 0.31 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 1wqo h ARG 98 Cb -0.04 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.34 1wqo h ARG 98 CO -0.06 0.73 0.17 0.28 2.80 0.00 0.00 179.97 183.90 1wqo h VAL 99 N 0.88 0.97 0.00 0.20 2.07 -0.66 -2.23 116.25 117.49 1wqo h VAL 99 Ca 0.22 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1wqo h VAL 99 Cb 0.11 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1wqo h VAL 99 CO -0.03 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.96 1wqo n VAL 100 N -4.95 0.06 0.59 2.57 0.24 -0.97 -2.34 118.33 113.53 1wqo n VAL 100 Ca 0.01 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.45 1wqo n VAL 100 Cb 0.09 -0.58 0.43 0.00 -1.47 0.00 0.00 33.84 32.30 1wqo n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1wqo n ARG 101 N -1.11 0.24 -1.80 7.34 1.74 -0.84 -4.29 116.66 117.95 1wqo n ARG 101 Ca 0.17 0.25 -0.31 0.00 -0.77 0.00 0.00 57.85 57.20 1wqo n ARG 101 Cb 0.14 -1.81 0.03 0.00 -1.02 0.00 0.00 32.46 29.80 1wqo n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wqo s ASP 102 N -4.43 5.71 0.32 0.55 1.11 -0.99 -4.97 116.67 113.97 1wqo s ASP 102 Ca 0.09 1.36 0.09 0.00 0.18 0.00 0.00 52.55 54.27 1wqo s ASP 102 Cb 0.12 -2.28 0.84 0.00 1.07 0.00 0.00 42.92 42.67 1wqo s ASP 102 CO 0.55 -1.20 1.77 1.55 1.18 0.00 0.00 175.17 179.02 1wqo h PRO 103 N -0.55 0.63 0.00 8.23 0.13 -1.88 -2.05 132.00 136.51 1wqo h PRO 103 Ca -0.44 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1wqo h PRO 103 Cb 1.22 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1wqo h PRO 103 CO 0.61 0.42 -0.10 1.96 -0.23 0.00 0.00 178.00 180.66 1wqo h GLN 104 N 0.65 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.43 1wqo h GLN 104 Ca 0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.31 1wqo h GLN 104 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1wqo h GLN 104 CO -0.39 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.28 1wqo n GLY 105 N -0.83 2.66 0.30 3.46 0.00 -0.77 -1.80 105.19 108.21 1wqo n GLY 105 Ca -0.02 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 45.81 1wqo n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wqo h ILE 106 N 0.00 0.17 0.00 -0.61 6.09 -1.91 -2.66 117.51 118.59 1wqo h ILE 106 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1wqo h ILE 106 Cb 0.00 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.56 1wqo h ILE 106 CO 0.00 0.03 0.00 0.54 -3.07 0.00 0.00 178.15 175.65 1wqo n ARG 107 N -3.25 0.05 0.20 2.19 1.74 -0.74 -2.73 116.66 114.11 1wqo n ARG 107 Ca -0.01 0.41 0.16 0.00 -0.77 0.00 0.00 57.85 57.63 1wqo n ARG 107 Cb 0.19 -1.62 0.81 0.00 -1.02 0.00 0.00 32.46 30.82 1wqo n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wqo h ALA 108 N 2.24 1.86 -2.70 7.54 0.00 -1.62 -3.37 119.26 123.22 1wqo h ALA 108 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1wqo h ALA 108 Cb 0.16 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.78 1wqo h ALA 108 CO 0.00 -0.26 -0.44 -1.58 0.00 0.00 0.00 179.25 176.97 1wqo s TRP 109 N -4.72 3.22 0.42 0.00 0.51 -1.11 -4.96 118.94 112.31 1wqo s TRP 109 Ca -0.05 -0.14 0.11 0.00 -2.12 0.00 0.00 56.10 53.91 1wqo s TRP 109 Cb 0.16 -2.51 0.95 0.00 -0.81 0.00 0.00 33.47 31.26 1wqo s TRP 109 CO 0.58 -0.36 2.01 0.28 -0.51 0.00 0.00 176.95 178.95 1wqo h VAL 110 N 5.49 0.97 -0.83 4.03 2.07 -1.89 -1.61 116.25 124.48 1wqo h VAL 110 Ca -0.31 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.13 1wqo h VAL 110 Cb 1.16 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 1wqo h VAL 110 CO 0.64 0.09 0.54 0.00 0.02 0.00 0.00 177.57 178.86 1wqo h ALA 111 N 1.71 1.66 -0.72 1.67 0.00 -1.93 -1.64 119.26 120.01 1wqo h ALA 111 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1wqo h ALA 111 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1wqo h ALA 111 CO -0.06 0.18 0.36 2.35 0.00 0.00 0.00 179.25 182.08 1wqo h TRP 112 N 0.84 1.03 -0.25 0.00 7.01 -1.61 -1.21 115.95 121.76 1wqo h TRP 112 Ca 0.38 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 1wqo h TRP 112 Cb 0.35 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1wqo h TRP 112 CO -0.00 0.75 0.12 0.00 -2.79 0.00 0.00 178.44 176.52 1wqo h ARG 113 N 1.01 0.37 -0.38 2.65 3.08 -1.36 0.13 114.38 119.87 1wqo h ARG 113 Ca 0.25 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1wqo h ARG 113 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1wqo h ARG 113 CO -0.03 0.38 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.29 1wqo h ASN 114 N 0.27 0.71 -0.00 7.04 2.35 -1.24 -3.33 115.58 121.38 1wqo h ASN 114 Ca 0.09 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1wqo h ASN 114 Cb 0.14 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1wqo h ASN 114 CO -0.01 0.88 -0.08 -2.11 -1.65 0.00 0.00 177.43 174.46 1wqo n ARG 115 N -4.41 1.72 0.00 0.81 0.00 -0.47 -4.85 116.66 109.46 1wqo n ARG 115 Ca -0.01 -0.53 0.00 0.00 -0.00 0.00 0.00 57.85 57.31 1wqo n ARG 115 Cb 0.32 -0.97 0.00 0.00 -0.00 0.00 0.00 32.46 31.81 1wqo n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1wqo n GLN 117 N -2.18 2.59 -2.81 0.00 7.27 -0.18 -2.21 117.38 119.86 1wqo n GLN 117 Ca 0.00 0.92 -0.21 0.00 0.07 0.00 0.00 57.00 57.79 1wqo n GLN 117 Cb 0.42 -2.70 0.01 0.00 2.41 0.00 0.00 30.24 30.39 1wqo n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1wqo n ASN 118 N 2.47 -5.38 -4.57 1.69 5.03 -1.26 -4.96 115.26 108.28 1wqo n ASN 118 Ca 0.10 -0.15 -0.26 0.00 0.87 0.00 0.00 54.58 55.14 1wqo n ASN 118 Cb 0.35 -4.42 -0.11 0.00 -1.02 0.00 0.00 39.78 34.58 1wqo n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1wqo s ARG 119 N -5.47 1.86 -0.83 3.52 0.52 -0.94 -5.07 118.95 112.55 1wqo s ARG 119 Ca 0.19 -2.04 -0.21 0.00 -0.52 0.00 0.00 55.73 53.14 1wqo s ARG 119 Cb -0.09 -1.45 0.09 0.00 0.52 0.00 0.00 34.95 34.02 1wqo s ARG 119 CO 0.23 -0.06 1.13 0.34 0.02 0.00 0.00 175.30 176.96 1wqo s ASP 120 N -3.64 6.41 0.00 0.23 -1.08 -1.26 -4.85 116.67 112.48 1wqo s ASP 120 Ca 0.35 -1.45 0.22 0.00 -0.52 0.00 0.00 52.55 51.15 1wqo s ASP 120 Cb 0.09 -2.45 0.88 0.00 -1.46 0.00 0.00 42.92 39.99 1wqo s ASP 120 CO 0.17 -1.33 1.62 1.33 0.52 0.00 0.00 175.17 177.48 1wqo n VAL 121 N 5.95 0.14 -0.17 1.11 0.24 -1.26 -4.24 118.33 120.09 1wqo n VAL 121 Ca 0.14 -0.27 0.06 0.00 -2.04 0.00 0.00 64.34 62.23 1wqo n VAL 121 Cb 0.48 0.26 0.36 0.00 -1.47 0.00 0.00 33.84 33.47 1wqo n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1wqo h ARG 122 N 1.84 0.72 -0.96 7.34 3.08 -1.91 -2.77 114.38 121.73 1wqo h ARG 122 Ca 0.00 -0.04 0.22 0.00 0.07 0.00 0.00 59.98 60.23 1wqo h ARG 122 Cb 0.40 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.21 1wqo h ARG 122 CO 0.00 0.48 0.63 -0.56 -1.07 0.00 0.00 179.97 179.45 1wqo h GLN 123 N 0.75 0.40 0.00 0.04 3.07 -1.98 -1.64 115.11 115.76 1wqo h GLN 123 Ca 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.02 1wqo h GLN 123 Cb 0.25 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.71 1wqo h GLN 123 CO -0.10 0.27 0.00 1.88 0.09 0.00 0.00 178.83 180.97 1wqo h TYR 124 N 0.42 0.00 0.00 0.06 0.05 -1.82 -3.12 116.97 112.55 1wqo h TYR 124 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.30 1wqo h TYR 124 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 1wqo h TYR 124 CO -0.00 0.00 0.00 1.33 -1.05 0.00 0.00 178.16 178.44 1wqo n VAL 125 N -3.07 0.00 -1.90 -2.88 0.24 -0.67 -4.86 118.33 105.20 1wqo n VAL 125 Ca -0.01 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.39 1wqo n VAL 125 Cb 0.19 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.56 1wqo n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1wqo s GLN 126 N -0.19 4.20 0.00 7.34 -1.52 -0.87 -2.36 119.66 126.25 1wqo s GLN 126 Ca 0.00 2.41 0.00 0.00 -1.95 0.00 0.00 55.36 55.82 1wqo s GLN 126 Cb 0.00 -3.14 0.00 0.00 -0.22 0.00 0.00 33.01 29.65 1wqo s GLN 126 CO 0.00 -0.63 0.00 0.41 -0.25 0.00 0.00 175.29 174.82 1wqo n GLY 127 N 3.77 0.94 0.08 3.09 0.00 -1.26 -4.92 105.19 106.89 1wqo n GLY 127 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1wqo n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wqo n GLY 129 N 1.40 0.16 0.00 0.00 0.00 -1.26 -4.81 105.19 100.68 1wqo n GLY 129 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1wqo n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65