#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqo s VAL 2 N 0.00 4.49 0.42 3.15 1.01 -1.26 -1.25 120.40 126.96 2bqo s VAL 2 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2bqo s VAL 2 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 2bqo s VAL 2 CO 0.00 -0.21 1.05 -0.36 0.00 0.00 0.00 175.10 175.58 2bqo s PHE 3 N 1.54 3.20 0.27 5.22 0.40 -0.15 -5.00 117.98 123.46 2bqo s PHE 3 Ca 0.02 1.63 -0.16 0.00 -0.60 0.00 0.00 56.93 57.82 2bqo s PHE 3 Cb -0.19 -3.12 -0.08 0.00 0.51 0.00 0.00 43.02 40.14 2bqo s PHE 3 CO 0.06 -0.69 0.70 -1.21 0.70 0.00 0.00 175.22 174.78 2bqo s GLU 4 N -2.67 4.05 0.07 0.44 2.02 -1.26 -4.86 118.70 116.49 2bqo s GLU 4 Ca 0.60 0.67 -0.14 0.00 0.02 0.00 0.00 54.97 56.11 2bqo s GLU 4 Cb -0.21 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 2bqo s GLU 4 CO 0.26 0.26 1.25 -0.09 0.02 0.00 0.00 175.26 176.96 2bqo h ARG 5 N 2.71 -0.02 0.00 1.61 2.43 -1.96 -1.01 114.38 118.14 2bqo h ARG 5 Ca -0.48 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.63 2bqo h ARG 5 Cb 1.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2bqo h ARG 5 CO 0.66 -0.01 -0.28 0.00 -1.51 0.00 0.00 179.97 178.82 2bqo h GLU 7 N 0.00 0.72 -0.36 0.00 4.81 -1.82 -1.98 114.58 115.97 2bqo h GLU 7 Ca -0.00 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 2bqo h GLU 7 Cb 0.54 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2bqo h GLU 7 CO 0.04 0.71 0.07 1.25 -0.73 0.00 0.00 179.01 180.35 2bqo h LEU 8 N 0.61 0.55 -0.39 1.64 5.85 -0.72 -2.15 115.31 120.70 2bqo h LEU 8 Ca 0.15 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2bqo h LEU 8 Cb 0.30 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 2bqo h LEU 8 CO -0.00 0.65 0.04 0.00 -0.34 0.00 0.00 178.44 178.79 2bqo h ALA 9 N 0.92 0.38 -0.69 1.25 0.00 -1.13 0.75 119.26 120.75 2bqo h ALA 9 Ca 0.11 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2bqo h ALA 9 Cb 0.32 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2bqo h ALA 9 CO 0.00 -0.36 0.34 0.00 0.00 0.00 0.00 179.25 179.23 2bqo h ARG 10 N 0.15 0.99 -0.22 0.00 3.08 -1.30 -1.24 114.38 115.84 2bqo h ARG 10 Ca 0.19 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2bqo h ARG 10 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2bqo h ARG 10 CO -0.28 0.77 0.11 1.15 -1.07 0.00 0.00 179.97 180.65 2bqo h THR 11 N 0.95 1.14 -0.90 2.04 2.02 -0.67 -1.19 112.91 116.30 2bqo h THR 11 Ca 0.24 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2bqo h THR 11 Cb 0.11 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 2bqo h THR 11 CO -0.03 0.13 0.56 -0.07 0.37 0.00 0.00 175.52 176.48 2bqo h LEU 12 N 0.23 1.06 -0.28 2.58 3.38 -0.66 -1.26 115.31 120.37 2bqo h LEU 12 Ca 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bqo h LEU 12 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2bqo h LEU 12 CO -0.01 0.80 0.10 0.50 0.09 0.00 0.00 178.44 179.92 2bqo h LYS 13 N 1.23 0.42 -0.12 1.13 3.64 -0.93 -1.81 116.57 120.13 2bqo h LYS 13 Ca 0.33 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2bqo h LYS 13 Cb -0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2bqo h LYS 13 CO -0.06 0.46 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.44 2bqo h ARG 14 N 0.29 0.17 -0.07 1.90 2.43 -0.79 -1.30 114.38 117.01 2bqo h ARG 14 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2bqo h ARG 14 Cb 0.20 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2bqo h ARG 14 CO -0.01 0.23 0.00 1.28 -1.51 0.00 0.00 179.97 179.96 2bqo n LEU 15 N -4.39 0.59 -0.41 3.80 4.77 -0.51 -4.92 117.00 115.94 2bqo n LEU 15 Ca -0.01 -0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 2bqo n LEU 15 Cb 0.18 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2bqo n LEU 15 CO 0.36 0.13 -0.04 0.61 -1.33 0.00 0.00 177.39 177.12 2bqo n GLY 16 N 0.86 0.25 0.14 -0.72 0.00 -0.49 -4.97 105.19 100.25 2bqo n GLY 16 Ca 0.12 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.52 2bqo n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqo h MET 17 N -0.01 0.00 -6.10 1.61 2.86 -1.51 -3.41 114.93 108.37 2bqo h MET 17 Ca -0.08 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.01 2bqo h MET 17 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2bqo h MET 17 CO 0.09 0.00 1.36 0.34 1.06 0.00 0.00 176.91 179.76 2bqo s ASP 18 N -5.44 5.53 0.00 1.22 -1.08 -1.26 -1.94 116.67 113.70 2bqo s ASP 18 Ca 0.03 1.11 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 2bqo s ASP 18 Cb 0.09 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2bqo s ASP 18 CO 0.74 -2.03 0.00 0.61 0.52 0.00 0.00 175.17 175.02 2bqo n GLY 19 N 5.59 0.58 3.66 2.66 0.00 0.34 -4.90 105.19 113.13 2bqo n GLY 19 Ca 0.25 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2bqo n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqo s TYR 20 N -2.00 1.65 -1.56 1.61 5.04 -0.82 -1.94 117.35 119.33 2bqo s TYR 20 Ca 0.00 -0.16 -0.15 0.00 -2.44 0.00 0.00 57.07 54.32 2bqo s TYR 20 Cb 0.00 -4.12 0.11 0.00 0.35 0.00 0.00 41.96 38.30 2bqo s TYR 20 CO 0.00 -4.85 0.86 0.54 -1.34 0.00 0.00 175.55 170.76 2bqo n ARG 21 N 7.12 -4.51 -0.99 4.97 5.12 -1.26 -1.13 116.66 125.99 2bqo n ARG 21 Ca 0.19 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 2bqo n ARG 21 Cb 0.41 -5.34 0.00 0.00 -1.16 0.00 0.00 32.46 26.37 2bqo n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqo n GLY 22 N -1.53 0.54 3.56 -0.13 0.00 -0.82 -5.01 105.19 101.81 2bqo n GLY 22 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2bqo n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqo s ILE 23 N -2.28 5.25 0.70 -0.61 1.01 -0.28 -4.91 121.20 120.08 2bqo s ILE 23 Ca 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 60.65 60.57 2bqo s ILE 23 Cb 0.00 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2bqo s ILE 23 CO 0.00 0.06 1.12 -0.94 0.00 0.00 0.00 174.94 175.19 2bqo s SER 24 N 1.73 4.77 0.29 3.58 1.04 -1.26 -0.50 113.70 123.34 2bqo s SER 24 Ca 0.09 2.04 -0.01 0.00 0.48 0.00 0.00 55.95 58.55 2bqo s SER 24 Cb -0.17 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 63.87 2bqo s SER 24 CO 0.11 -1.86 1.91 0.25 0.98 0.00 0.00 173.24 174.63 2bqo h LEU 25 N -0.28 0.97 -1.31 2.42 5.85 -1.91 -1.40 115.31 119.66 2bqo h LEU 25 Ca -0.46 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.29 2bqo h LEU 25 Cb 1.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 2bqo h LEU 25 CO 0.52 0.63 0.49 0.00 -0.34 0.00 0.00 178.44 179.74 2bqo h ALA 26 N 1.48 1.55 -0.25 1.25 0.00 -1.91 0.23 119.26 121.62 2bqo h ALA 26 Ca 0.40 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 2bqo h ALA 26 Cb 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2bqo h ALA 26 CO -0.15 0.38 -0.57 -0.91 0.00 0.00 0.00 179.25 178.01 2bqo h ASN 27 N 0.91 0.86 -0.34 0.00 2.35 -1.59 -1.04 115.58 116.73 2bqo h ASN 27 Ca 0.29 -0.47 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 2bqo h ASN 27 Cb 0.03 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2bqo h ASN 27 CO -0.08 1.24 -0.07 -0.50 -1.65 0.00 0.00 177.43 176.37 2bqo h TRP 28 N 0.58 0.82 -0.46 1.19 4.06 -0.94 -1.23 115.95 119.98 2bqo h TRP 28 Ca 0.01 -0.14 -0.05 0.00 2.06 0.00 0.00 58.89 60.77 2bqo h TRP 28 Cb 1.16 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 2bqo h TRP 28 CO 0.06 0.80 0.09 0.52 -3.56 0.00 0.00 178.44 176.35 2bqo h MET 29 N 0.70 0.75 -0.65 0.49 2.86 -0.85 -1.74 114.93 116.48 2bqo h MET 29 Ca 0.13 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2bqo h MET 29 Cb 0.53 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2bqo h MET 29 CO 0.03 0.76 0.36 0.00 1.06 0.00 0.00 176.91 179.12 2bqo h LEU 31 N 0.89 -0.31 -1.30 0.00 5.85 -1.01 -2.56 115.31 116.88 2bqo h LEU 31 Ca 0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2bqo h LEU 31 Cb 0.04 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2bqo h LEU 31 CO -0.04 -0.19 0.38 0.00 -0.34 0.00 0.00 178.44 178.25 2bqo h ALA 32 N 0.34 1.48 0.07 1.25 0.00 -1.19 0.57 119.26 121.78 2bqo h ALA 32 Ca -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2bqo h ALA 32 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2bqo h ALA 32 CO 0.06 0.45 -0.03 -0.22 0.00 0.00 0.00 179.25 179.51 2bqo h LYS 33 N 0.87 -0.09 0.00 0.00 1.63 -1.06 -1.73 116.57 116.18 2bqo h LYS 33 Ca 0.23 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.95 2bqo h LYS 33 Cb -0.03 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2bqo h LYS 33 CO -0.04 -0.01 -0.54 -1.49 -3.45 0.00 0.00 179.45 173.92 2bqo h TRP 34 N -0.15 0.00 0.05 1.91 4.06 -1.22 -0.97 115.95 119.62 2bqo h TRP 34 Ca -0.01 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.77 2bqo h TRP 34 Cb 0.12 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2bqo h TRP 34 CO -0.06 0.36 -0.71 0.93 -3.56 0.00 0.00 178.44 175.40 2bqo h GLU 35 N 0.00 0.40 0.00 0.49 4.39 -0.83 -3.42 114.58 115.60 2bqo h GLU 35 Ca -0.02 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.19 2bqo h GLU 35 Cb 1.29 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2bqo h GLU 35 CO 0.04 1.16 0.00 -1.13 -1.16 0.00 0.00 179.01 177.93 2bqo n SER 36 N -4.16 0.04 -1.35 1.42 3.41 -0.72 -4.84 113.62 107.41 2bqo n SER 36 Ca -0.12 -0.29 -0.11 0.00 -0.26 0.00 0.00 58.87 58.10 2bqo n SER 36 Cb 0.74 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.84 2bqo n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqo n GLY 37 N 0.15 -0.01 2.43 5.00 0.00 -0.37 -2.80 105.19 109.60 2bqo n GLY 37 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2bqo n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqo n TYR 38 N -3.96 -0.99 -3.79 1.61 4.01 -1.14 -4.79 117.16 108.11 2bqo n TYR 38 Ca -0.10 0.11 -0.36 0.00 -0.16 0.00 0.00 57.90 57.39 2bqo n TYR 38 Cb 0.58 -3.47 -0.13 0.00 -0.31 0.00 0.00 39.34 36.01 2bqo n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqo s ASN 39 N -2.39 4.93 0.53 7.72 2.47 -1.12 -0.97 114.94 126.11 2bqo s ASN 39 Ca 0.06 -0.37 0.31 0.00 0.42 0.00 0.00 52.86 53.29 2bqo s ASN 39 Cb -0.03 -1.87 1.24 0.00 -1.45 0.00 0.00 41.25 39.14 2bqo s ASN 39 CO 0.08 -0.07 1.94 0.71 -3.72 0.00 0.00 177.10 176.04 2bqo h THR 40 N 5.66 0.10 -0.59 -5.21 1.35 -1.49 -2.98 112.91 109.75 2bqo h THR 40 Ca -0.37 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2bqo h THR 40 Cb 1.16 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2bqo h THR 40 CO 0.59 0.04 0.00 -2.11 -0.25 0.00 0.00 175.52 173.79 2bqo n ARG 41 N -3.15 2.44 -1.83 4.72 1.85 -1.26 -4.07 116.66 115.36 2bqo n ARG 41 Ca 0.01 -2.23 -0.42 0.00 -1.00 0.00 0.00 57.85 54.21 2bqo n ARG 41 Cb 0.34 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.23 2bqo n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqo s ALA 42 N -1.22 3.86 0.01 2.89 0.00 -1.13 -4.81 121.76 121.35 2bqo s ALA 42 Ca 0.41 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.86 2bqo s ALA 42 Cb 0.22 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2bqo s ALA 42 CO 0.29 -0.87 -0.04 0.95 0.00 0.00 0.00 175.76 176.09 2bqo s THR 43 N 1.23 0.28 -0.12 0.00 -4.23 -1.26 -0.43 115.64 111.11 2bqo s THR 43 Ca 0.73 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.84 2bqo s THR 43 Cb -0.47 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.14 2bqo s THR 43 CO 0.32 -0.06 0.08 0.21 -0.54 0.00 0.00 174.62 174.63 2bqo s ASN 44 N -0.44 1.85 -0.11 3.99 2.47 -0.26 -4.97 114.94 117.46 2bqo s ASN 44 Ca -0.02 -0.33 -0.23 0.00 0.42 0.00 0.00 52.86 52.70 2bqo s ASN 44 Cb -0.03 -0.18 -0.03 0.00 -1.45 0.00 0.00 41.25 39.55 2bqo s ASN 44 CO -0.00 -0.31 0.70 -0.47 -3.72 0.00 0.00 177.10 173.30 2bqo s TYR 45 N 2.16 3.50 -0.54 0.43 5.04 -1.26 -0.20 117.35 126.48 2bqo s TYR 45 Ca 0.03 1.17 -0.18 0.00 -2.44 0.00 0.00 57.07 55.65 2bqo s TYR 45 Cb -0.14 -2.83 0.09 0.00 0.35 0.00 0.00 41.96 39.42 2bqo s TYR 45 CO -0.07 -0.03 0.60 -0.80 -1.34 0.00 0.00 175.55 173.91 2bqo s ASN 46 N 0.94 6.19 0.46 4.32 0.01 0.46 -4.92 114.94 122.40 2bqo s ASN 46 Ca 0.35 -1.29 0.11 0.00 -0.71 0.00 0.00 52.86 51.33 2bqo s ASN 46 Cb -0.17 -2.26 1.04 0.00 0.41 0.00 0.00 41.25 40.27 2bqo s ASN 46 CO 0.15 -0.92 2.09 0.00 -1.51 0.00 0.00 177.10 176.91 2bqo h ALA 47 N 9.01 1.83 -0.32 0.60 0.00 -1.96 0.00 119.26 128.43 2bqo h ALA 47 Ca -0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2bqo h ALA 47 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2bqo h ALA 47 CO 1.01 0.15 0.13 0.78 0.00 0.00 0.00 179.25 181.32 2bqo h GLY 48 N 0.31 0.51 -0.61 0.00 0.00 -1.95 -3.32 103.07 98.00 2bqo h GLY 48 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2bqo h GLY 48 CO -0.01 0.26 0.00 2.09 0.00 0.00 0.00 176.54 178.87 2bqo n ASP 49 N -4.73 1.94 -1.91 0.19 5.75 -1.19 -5.01 116.55 111.60 2bqo n ASP 49 Ca -0.02 -1.56 -0.16 0.00 -0.01 0.00 0.00 54.79 53.04 2bqo n ASP 49 Cb 0.13 -0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2bqo n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqo n ARG 50 N 0.26 -1.76 -4.00 0.11 1.74 -0.02 -4.74 116.66 108.25 2bqo n ARG 50 Ca 0.05 0.75 -0.23 0.00 -0.77 0.00 0.00 57.85 57.65 2bqo n ARG 50 Cb 0.24 -5.13 -0.06 0.00 -1.02 0.00 0.00 32.46 26.49 2bqo n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqo s SER 51 N -2.39 4.82 0.00 0.55 1.04 -1.20 -4.42 113.70 112.10 2bqo s SER 51 Ca 0.05 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.77 2bqo s SER 51 Cb -0.02 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 2bqo s SER 51 CO 0.06 -0.35 -0.10 -0.89 0.98 0.00 0.00 173.24 172.93 2bqo s THR 52 N -2.42 0.80 -0.15 2.02 2.01 -1.26 -0.41 115.64 116.24 2bqo s THR 52 Ca 0.39 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2bqo s THR 52 Cb -0.03 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 2bqo s THR 52 CO 0.24 0.13 0.26 -1.81 -0.69 0.00 0.00 174.62 172.75 2bqo s ASP 53 N -0.49 6.43 -0.03 3.53 1.01 0.72 -1.18 116.67 126.65 2bqo s ASP 53 Ca 0.02 0.50 0.07 0.00 0.71 0.00 0.00 52.55 53.85 2bqo s ASP 53 Cb -0.05 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.70 2bqo s ASP 53 CO -0.00 0.17 -0.25 -0.31 0.21 0.00 0.00 175.17 174.98 2bqo s TYR 54 N 0.14 2.38 0.00 4.23 1.51 0.40 -1.10 117.35 124.91 2bqo s TYR 54 Ca 0.16 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 2bqo s TYR 54 Cb -0.13 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 2bqo s TYR 54 CO 0.04 -0.10 0.00 0.41 -1.11 0.00 0.00 175.55 174.79 2bqo n GLY 55 N 2.62 -1.77 0.35 0.71 0.00 0.42 -1.00 105.19 106.52 2bqo n GLY 55 Ca -0.17 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.60 2bqo n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqo h ILE 56 N 0.00 0.97 -0.28 -0.61 2.10 -1.69 -1.50 117.51 116.49 2bqo h ILE 56 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2bqo h ILE 56 Cb 0.00 0.37 0.00 0.00 -1.09 0.00 0.00 36.82 36.10 2bqo h ILE 56 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 2bqo n PHE 57 N -4.48 0.34 -3.67 2.19 3.72 -1.26 -4.08 117.46 110.22 2bqo n PHE 57 Ca 0.09 -0.18 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 2bqo n PHE 57 Cb 0.28 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 2bqo n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqo n GLN 58 N 1.40 -1.19 -2.72 -1.08 1.13 -0.57 -4.91 117.38 109.43 2bqo n GLN 58 Ca 0.17 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.30 2bqo n GLN 58 Cb 0.59 -4.06 -0.03 0.00 0.11 0.00 0.00 30.24 26.85 2bqo n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqo s ILE 59 N -3.43 4.79 0.14 5.09 1.01 -0.17 -4.51 121.20 124.13 2bqo s ILE 59 Ca 0.45 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 2bqo s ILE 59 Cb -0.16 -4.28 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 2bqo s ILE 59 CO 0.86 -0.00 1.07 0.21 0.00 0.00 0.00 174.94 177.08 2bqo s ASN 60 N 1.11 7.30 0.02 3.58 3.84 -1.26 -0.45 114.94 129.08 2bqo s ASN 60 Ca 0.46 1.99 0.16 0.00 0.21 0.00 0.00 52.86 55.69 2bqo s ASN 60 Cb -0.18 -2.60 0.70 0.00 -0.55 0.00 0.00 41.25 38.63 2bqo s ASN 60 CO 0.16 -0.21 1.52 -1.54 -2.79 0.00 0.00 177.10 174.24 2bqo n SER 61 N 2.71 0.06 0.20 -4.21 3.41 -0.33 -2.08 113.62 113.39 2bqo n SER 61 Ca 0.03 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.27 2bqo n SER 61 Cb 0.47 -0.53 0.14 0.00 -0.26 0.00 0.00 64.21 64.04 2bqo n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqo h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.85 -3.41 114.38 115.88 2bqo h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bqo h ARG 62 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2bqo h ARG 62 CO 0.00 0.05 -0.69 0.66 -1.51 0.00 0.00 179.97 178.48 2bqo n TYR 63 N -3.09 0.00 0.95 2.20 4.02 -1.11 -0.60 117.16 119.53 2bqo n TYR 63 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.03 2bqo n TYR 63 Cb 0.55 0.10 -0.02 0.00 -0.02 0.00 0.00 39.34 39.95 2bqo n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2bqo n TRP 64 N -2.60 0.00 -3.58 -0.72 7.02 -0.88 -1.42 117.44 115.26 2bqo n TRP 64 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 2bqo n TRP 64 Cb 0.34 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.18 2bqo n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqo s ASN 66 N -1.81 5.87 0.00 0.00 2.47 0.86 -4.47 114.94 117.86 2bqo s ASN 66 Ca -0.07 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.32 2bqo s ASN 66 Cb -0.01 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 2bqo s ASN 66 CO 0.00 0.14 0.64 -0.90 -3.72 0.00 0.00 177.10 173.26 2bqo n ASP 67 N 3.80 1.12 0.00 -4.21 5.75 -1.26 -1.04 116.55 120.72 2bqo n ASP 67 Ca -0.16 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 2bqo n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqo n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqo n GLY 68 N -0.20 1.54 1.23 6.12 0.00 -1.26 -4.69 105.19 107.93 2bqo n GLY 68 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2bqo n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqo n LYS 69 N 0.00 2.57 -3.40 1.61 2.85 -1.26 -4.92 118.16 115.61 2bqo n LYS 69 Ca 0.00 -2.41 -0.39 0.00 -1.05 0.00 0.00 58.31 54.45 2bqo n LYS 69 Cb 0.00 -1.53 -0.09 0.00 -0.65 0.00 0.00 35.03 32.75 2bqo n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqo s THR 70 N -1.26 5.18 0.66 0.58 2.01 -1.26 -4.96 115.64 116.59 2bqo s THR 70 Ca 0.44 0.48 -0.17 0.00 0.31 0.00 0.00 61.69 62.74 2bqo s THR 70 Cb 0.24 -3.70 -0.00 0.00 0.01 0.00 0.00 72.50 69.04 2bqo s THR 70 CO 0.32 0.13 1.27 -2.84 -0.69 0.00 0.00 174.62 172.81 2bqo s PRO 71 N 2.05 2.51 -0.84 4.92 0.02 -1.26 -2.85 135.00 139.55 2bqo s PRO 71 Ca 0.14 1.97 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 2bqo s PRO 71 Cb -0.16 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.54 2bqo s PRO 71 CO 0.10 -1.60 0.16 0.41 -0.33 0.00 0.00 177.00 175.74 2bqo n GLY 72 N 0.75 -0.49 3.73 0.52 0.00 -1.26 -4.89 105.19 103.55 2bqo n GLY 72 Ca 0.15 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2bqo n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqo s ALA 73 N -2.54 3.27 0.24 4.61 0.00 -1.13 -4.97 121.76 121.24 2bqo s ALA 73 Ca 0.15 0.51 0.07 0.00 0.00 0.00 0.00 51.96 52.69 2bqo s ALA 73 Cb -0.08 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2bqo s ALA 73 CO 0.18 -0.01 0.14 0.08 0.00 0.00 0.00 175.76 176.15 2bqo s VAL 74 N 0.01 4.21 -0.58 0.00 1.01 0.23 -5.02 120.40 120.26 2bqo s VAL 74 Ca 0.45 -1.48 0.05 0.00 0.00 0.00 0.00 61.98 61.00 2bqo s VAL 74 Cb -0.23 -3.25 0.20 0.00 0.00 0.00 0.00 36.38 33.10 2bqo s VAL 74 CO 0.28 -0.32 0.51 -3.20 0.00 0.00 0.00 175.10 172.37 2bqo n ASN 75 N -0.99 1.95 0.00 3.32 2.85 -1.26 -3.99 115.26 117.14 2bqo n ASN 75 Ca -0.08 -2.99 -0.07 0.00 -0.11 0.00 0.00 54.58 51.33 2bqo n ASN 75 Cb 0.58 -0.67 0.10 0.00 1.24 0.00 0.00 39.78 41.02 2bqo n ASN 75 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bqo h ALA 76 N 5.02 0.83 0.00 5.20 0.00 -1.55 -3.21 119.26 125.55 2bqo h ALA 76 Ca 0.18 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 2bqo h ALA 76 Cb 0.79 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2bqo h ALA 76 CO 0.62 0.65 -1.49 0.00 0.00 0.00 0.00 179.25 179.04 2bqo h ALA 77 N 1.08 0.69 0.00 0.00 0.00 -1.70 -3.49 119.26 115.84 2bqo h ALA 77 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.76 2bqo h ALA 77 Cb 0.94 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2bqo h ALA 77 CO 0.08 1.32 0.00 0.72 0.00 0.00 0.00 179.25 181.37 2bqo n HIS 78 N -3.04 0.00 -3.13 0.00 -0.00 -1.21 -5.04 115.22 102.79 2bqo n HIS 78 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.31 2bqo n HIS 78 Cb 0.97 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.99 30.71 2bqo n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqo s LEU 79 N 0.00 3.95 0.22 2.41 1.43 -1.26 -4.92 118.68 120.52 2bqo s LEU 79 Ca 0.00 0.88 -0.26 0.00 -1.03 0.00 0.00 54.13 53.72 2bqo s LEU 79 Cb 0.00 -3.72 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 2bqo s LEU 79 CO 0.00 -0.29 0.84 -0.55 0.23 0.00 0.00 176.35 176.58 2bqo s SER 80 N -3.22 7.40 0.64 2.29 0.15 -1.26 -0.10 113.70 119.59 2bqo s SER 80 Ca 0.47 1.72 0.42 0.00 0.70 0.00 0.00 55.95 59.26 2bqo s SER 80 Cb -0.10 -2.53 2.16 0.00 -1.71 0.00 0.00 66.02 63.84 2bqo s SER 80 CO 0.31 0.12 2.28 0.00 1.20 0.00 0.00 173.24 177.15 2bqo h SER 82 N 0.00 0.72 0.15 0.00 0.87 -1.91 -1.84 113.55 111.54 2bqo h SER 82 Ca -0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2bqo h SER 82 Cb 0.13 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2bqo h SER 82 CO 0.00 0.52 -0.02 0.00 -0.53 0.00 0.00 176.83 176.80 2bqo h ALA 83 N 1.61 1.23 -0.41 6.23 0.00 -1.78 -2.37 119.26 123.77 2bqo h ALA 83 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2bqo h ALA 83 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2bqo h ALA 83 CO -0.05 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.51 2bqo n LEU 84 N -3.44 2.38 -0.17 0.00 4.77 -0.69 -3.58 117.00 116.27 2bqo n LEU 84 Ca -0.02 -1.19 0.02 0.00 -0.03 0.00 0.00 56.01 54.78 2bqo n LEU 84 Cb 0.12 -0.31 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2bqo n LEU 84 CO 0.25 0.55 0.49 0.18 -1.33 0.00 0.00 177.39 177.52 2bqo n LEU 85 N 0.68 2.05 -4.85 2.23 4.77 -0.89 -3.23 117.00 117.75 2bqo n LEU 85 Ca 0.14 -1.79 -0.29 0.00 -0.03 0.00 0.00 56.01 54.04 2bqo n LEU 85 Cb 0.40 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2bqo n LEU 85 CO 0.10 0.51 0.75 -1.10 -1.33 0.00 0.00 177.39 176.31 2bqo s GLN 86 N -0.84 2.00 0.10 3.23 -0.21 -1.23 -4.52 119.66 118.19 2bqo s GLN 86 Ca 0.06 0.35 -0.02 0.00 0.02 0.00 0.00 55.36 55.78 2bqo s GLN 86 Cb 0.03 -1.93 -0.20 0.00 1.00 0.00 0.00 33.01 31.91 2bqo s GLN 86 CO 0.04 -1.62 1.22 -0.44 -2.12 0.00 0.00 175.29 172.38 2bqo h ASP 87 N -1.08 0.35 -3.11 5.90 3.32 -1.93 -3.43 116.42 116.45 2bqo h ASP 87 Ca -0.47 -0.35 -0.56 0.00 0.02 0.00 0.00 57.03 55.66 2bqo h ASP 87 Cb 1.30 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2bqo h ASP 87 CO 0.63 1.24 0.72 0.21 -1.72 0.00 0.00 179.24 180.32 2bqo s ASN 88 N -7.05 7.11 -0.09 6.45 3.84 -1.26 -4.91 114.94 119.03 2bqo s ASN 88 Ca -0.03 1.59 0.13 0.00 0.21 0.00 0.00 52.86 54.75 2bqo s ASN 88 Cb 0.08 -2.55 0.53 0.00 -0.55 0.00 0.00 41.25 38.76 2bqo s ASN 88 CO 0.86 -0.60 1.39 2.30 -2.79 0.00 0.00 177.10 178.27 2bqo n ILE 89 N 4.92 1.36 -0.21 -5.21 -5.35 -1.26 -4.47 119.36 109.14 2bqo n ILE 89 Ca 0.11 -0.86 -0.02 0.00 -0.27 0.00 0.00 62.75 61.71 2bqo n ILE 89 Cb 0.47 0.00 0.08 0.00 -1.74 0.00 0.00 39.64 38.45 2bqo n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqo h ALA 90 N 3.71 0.81 -0.31 -1.28 0.00 -1.95 -0.21 119.26 120.03 2bqo h ALA 90 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2bqo h ALA 90 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2bqo h ALA 90 CO 0.18 -0.00 -0.38 -0.44 0.00 0.00 0.00 179.25 178.60 2bqo h ASP 91 N 0.62 0.77 -0.71 0.00 3.32 -1.87 -1.13 116.42 117.43 2bqo h ASP 91 Ca 0.27 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2bqo h ASP 91 Cb 0.17 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 2bqo h ASP 91 CO -0.18 1.07 0.22 0.00 -1.72 0.00 0.00 179.24 178.63 2bqo h ALA 92 N 0.97 1.03 -0.20 3.45 0.00 -1.69 -1.20 119.26 121.63 2bqo h ALA 92 Ca 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2bqo h ALA 92 Cb 0.92 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2bqo h ALA 92 CO 0.08 0.65 0.02 0.28 0.00 0.00 0.00 179.25 180.29 2bqo h VAL 93 N 1.07 1.23 -0.41 0.00 2.07 -0.82 0.12 116.25 119.51 2bqo h VAL 93 Ca 0.23 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2bqo h VAL 93 Cb 0.30 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2bqo h VAL 93 CO -0.01 0.24 0.20 0.00 0.02 0.00 0.00 177.57 178.02 2bqo h ALA 94 N 0.82 1.59 -0.21 1.67 0.00 -0.98 -0.29 119.26 121.86 2bqo h ALA 94 Ca 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2bqo h ALA 94 Cb 0.34 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2bqo h ALA 94 CO 0.01 0.34 -0.24 0.00 0.00 0.00 0.00 179.25 179.35 2bqo h ALA 95 N 1.66 0.31 -0.76 0.00 0.00 -0.97 -2.05 119.26 117.44 2bqo h ALA 95 Ca 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2bqo h ALA 95 Cb 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2bqo h ALA 95 CO -0.02 0.28 0.41 0.00 0.00 0.00 0.00 179.25 179.92 2bqo h ALA 96 N 0.64 1.29 -0.43 0.00 0.00 -0.44 -0.62 119.26 119.70 2bqo h ALA 96 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2bqo h ALA 96 Cb 0.80 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2bqo h ALA 96 CO 0.06 0.57 0.11 0.87 0.00 0.00 0.00 179.25 180.86 2bqo h LYS 97 N 1.06 0.68 -0.67 0.00 1.57 -0.97 -2.31 116.57 115.94 2bqo h LYS 97 Ca 0.27 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2bqo h LYS 97 Cb 0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2bqo h LYS 97 CO -0.04 0.69 0.38 -0.09 -0.57 0.00 0.00 179.45 179.81 2bqo h ARG 98 N 0.56 0.92 -0.83 3.15 9.65 -0.94 -2.91 114.38 123.98 2bqo h ARG 98 Ca 0.14 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2bqo h ARG 98 Cb 0.31 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.66 2bqo h ARG 98 CO 0.00 0.68 0.54 0.00 2.80 0.00 0.00 179.97 183.99 2bqo h ALA 99 N 1.19 1.07 -0.02 2.80 0.00 -0.85 -2.28 119.26 121.17 2bqo h ALA 99 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2bqo h ALA 99 Cb 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2bqo h ALA 99 CO -0.04 0.39 0.00 1.33 0.00 0.00 0.00 179.25 180.93 2bqo n VAL 100 N -4.55 0.02 1.44 0.00 0.24 -0.89 -3.01 118.33 111.57 2bqo n VAL 100 Ca 0.09 -0.05 0.14 0.00 -2.04 0.00 0.00 64.34 62.49 2bqo n VAL 100 Cb 0.06 -0.26 0.60 0.00 -1.47 0.00 0.00 33.84 32.77 2bqo n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqo n ARG 101 N -0.71 0.82 -2.79 7.34 1.74 -0.86 -4.30 116.66 117.91 2bqo n ARG 101 Ca 0.18 -0.32 -0.32 0.00 -0.77 0.00 0.00 57.85 56.62 2bqo n ARG 101 Cb 0.12 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.02 2bqo n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqo s ASP 102 N -2.40 6.74 0.54 0.55 1.11 -1.16 -4.96 116.67 117.09 2bqo s ASP 102 Ca 0.31 1.46 0.31 0.00 0.18 0.00 0.00 52.55 54.81 2bqo s ASP 102 Cb 0.20 -2.45 1.47 0.00 1.07 0.00 0.00 42.92 43.21 2bqo s ASP 102 CO 0.46 -0.39 1.90 1.55 1.18 0.00 0.00 175.17 179.87 2bqo h PRO 103 N 1.62 0.00 -0.83 8.23 0.13 -1.90 -1.81 132.00 137.44 2bqo h PRO 103 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2bqo h PRO 103 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2bqo h PRO 103 CO 0.63 0.00 0.54 1.96 -0.23 0.00 0.00 178.00 180.90 2bqo h GLN 104 N 0.00 1.10 0.00 0.86 4.20 -1.91 -3.48 115.11 115.88 2bqo h GLN 104 Ca 0.39 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.03 2bqo h GLN 104 Cb 1.60 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2bqo h GLN 104 CO -0.00 0.74 0.00 0.41 -0.67 0.00 0.00 178.83 179.31 2bqo n GLY 105 N -1.31 0.26 0.19 3.46 0.00 -0.68 -3.33 105.19 103.79 2bqo n GLY 105 Ca 0.09 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.31 2bqo n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqo h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.91 -2.70 117.51 114.39 2bqo h ILE 106 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2bqo h ILE 106 Cb 0.00 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 2bqo h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 2bqo n ARG 107 N -2.50 0.04 0.05 2.19 1.74 -1.21 -2.64 116.66 114.32 2bqo n ARG 107 Ca 0.00 0.28 0.03 0.00 -0.77 0.00 0.00 57.85 57.40 2bqo n ARG 107 Cb 0.17 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.52 2bqo n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqo h ALA 108 N 2.41 1.62 -2.13 7.54 0.00 -1.69 -3.38 119.26 123.63 2bqo h ALA 108 Ca 0.00 -0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.19 2bqo h ALA 108 Cb 0.17 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.71 2bqo h ALA 108 CO 0.00 0.30 0.34 -1.58 0.00 0.00 0.00 179.25 178.31 2bqo s TRP 109 N -5.17 3.06 0.49 0.00 0.51 -1.08 -4.92 118.94 111.83 2bqo s TRP 109 Ca -0.07 0.34 0.15 0.00 -2.12 0.00 0.00 56.10 54.40 2bqo s TRP 109 Cb 0.17 -3.50 1.16 0.00 -0.81 0.00 0.00 33.47 30.48 2bqo s TRP 109 CO 0.73 -0.85 2.09 0.28 -0.51 0.00 0.00 176.95 178.70 2bqo h VAL 110 N 5.86 1.05 -0.22 4.03 2.07 -1.88 0.28 116.25 127.43 2bqo h VAL 110 Ca -0.25 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2bqo h VAL 110 Cb 1.09 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 2bqo h VAL 110 CO 0.93 0.06 0.14 0.00 0.02 0.00 0.00 177.57 178.72 2bqo h ALA 111 N 1.93 1.82 -0.43 1.67 0.00 -1.94 -1.29 119.26 121.02 2bqo h ALA 111 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2bqo h ALA 111 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bqo h ALA 111 CO 0.01 0.16 -0.02 2.35 0.00 0.00 0.00 179.25 181.75 2bqo h TRP 112 N 0.30 0.84 -0.59 0.00 7.01 -1.24 -1.46 115.95 120.82 2bqo h TRP 112 Ca 0.08 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 60.89 2bqo h TRP 112 Cb -0.01 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.80 2bqo h TRP 112 CO 0.00 0.84 0.21 0.00 -2.79 0.00 0.00 178.44 176.70 2bqo h ARG 113 N 0.60 0.89 -0.09 2.65 3.08 -1.31 0.38 114.38 120.59 2bqo h ARG 113 Ca 0.12 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 2bqo h ARG 113 Cb 0.52 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2bqo h ARG 113 CO 0.03 0.78 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.77 2bqo h ASN 114 N 0.82 0.18 -0.05 7.04 2.35 -1.18 -3.36 115.58 121.38 2bqo h ASN 114 Ca 0.19 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2bqo h ASN 114 Cb 0.24 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2bqo h ASN 114 CO -0.01 0.51 0.00 -2.11 -1.65 0.00 0.00 177.43 174.17 2bqo n ARG 115 N -4.78 0.58 0.00 0.81 0.00 -0.56 -4.83 116.66 107.89 2bqo n ARG 115 Ca -0.07 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.73 2bqo n ARG 115 Cb 0.24 -1.10 0.00 0.00 -0.00 0.00 0.00 32.46 31.60 2bqo n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqo n GLN 117 N -2.50 1.99 -1.92 0.00 7.27 -0.02 -2.05 117.38 120.15 2bqo n GLN 117 Ca 0.00 0.71 -0.19 0.00 0.07 0.00 0.00 57.00 57.59 2bqo n GLN 117 Cb 0.37 -2.38 -0.05 0.00 2.41 0.00 0.00 30.24 30.58 2bqo n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqo n ASN 118 N 2.45 -5.31 -4.67 1.69 5.03 -1.26 -4.96 115.26 108.24 2bqo n ASN 118 Ca 0.13 0.29 -0.26 0.00 0.87 0.00 0.00 54.58 55.60 2bqo n ASN 118 Cb 0.30 -4.59 -0.09 0.00 -1.02 0.00 0.00 39.78 34.37 2bqo n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqo s ARG 119 N -4.23 2.07 -0.57 3.52 0.52 -0.87 -5.08 118.95 114.31 2bqo s ARG 119 Ca 0.00 -1.99 -0.25 0.00 -0.52 0.00 0.00 55.73 52.98 2bqo s ARG 119 Cb 0.00 -1.79 0.04 0.00 0.52 0.00 0.00 34.95 33.72 2bqo s ARG 119 CO 0.00 -0.07 0.98 0.34 0.02 0.00 0.00 175.30 176.57 2bqo s ASP 120 N -3.79 6.33 -0.05 0.23 2.15 -1.26 -4.87 116.67 115.41 2bqo s ASP 120 Ca 0.38 -0.37 0.16 0.00 0.43 0.00 0.00 52.55 53.15 2bqo s ASP 120 Cb 0.07 -2.45 0.51 0.00 -0.30 0.00 0.00 42.92 40.75 2bqo s ASP 120 CO 0.20 -1.30 1.43 1.33 -0.17 0.00 0.00 175.17 176.66 2bqo n VAL 121 N 6.23 1.35 -0.23 1.11 0.24 -1.26 -4.57 118.33 121.20 2bqo n VAL 121 Ca 0.02 -1.15 0.07 0.00 -2.04 0.00 0.00 64.34 61.24 2bqo n VAL 121 Cb 0.47 0.33 0.33 0.00 -1.47 0.00 0.00 33.84 33.50 2bqo n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqo h ARG 122 N 3.03 0.78 -0.97 7.34 3.08 -1.92 -1.87 114.38 123.85 2bqo h ARG 122 Ca 0.00 -0.05 0.28 0.00 0.07 0.00 0.00 59.98 60.28 2bqo h ARG 122 Cb 1.05 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 2bqo h ARG 122 CO 0.08 0.52 0.77 -0.56 -1.07 0.00 0.00 179.97 179.71 2bqo h GLN 123 N 0.81 0.00 0.00 0.04 3.07 -1.97 -1.11 115.11 115.95 2bqo h GLN 123 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.10 2bqo h GLN 123 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.89 2bqo h GLN 123 CO -0.13 0.00 -0.01 1.88 0.09 0.00 0.00 178.83 180.66 2bqo h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.67 -3.28 116.97 112.13 2bqo h TYR 124 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.24 2bqo h TYR 124 Cb 1.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.73 2bqo h TYR 124 CO 0.00 0.01 0.00 1.33 -1.05 0.00 0.00 178.16 178.45 2bqo n VAL 125 N -3.10 0.25 -2.14 -2.88 0.24 -0.47 -4.85 118.33 105.38 2bqo n VAL 125 Ca 0.01 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 2bqo n VAL 125 Cb 0.35 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.71 2bqo n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqo s GLN 126 N -0.25 4.32 0.00 7.34 2.00 -0.88 -2.72 119.66 129.47 2bqo s GLN 126 Ca 0.00 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 55.49 2bqo s GLN 126 Cb 0.00 -3.21 0.00 0.00 0.80 0.00 0.00 33.01 30.60 2bqo s GLN 126 CO 0.00 -0.40 0.00 0.41 -0.50 0.00 0.00 175.29 174.80 2bqo n GLY 127 N 3.04 1.26 0.06 2.59 0.00 -1.26 -4.92 105.19 105.96 2bqo n GLY 127 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 2bqo n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqo n GLY 129 N 1.40 0.33 0.30 0.00 0.00 -1.26 -4.84 105.19 101.12 2bqo n GLY 129 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.51 2bqo n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65