#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqi s VAL 2 N 0.00 3.99 0.66 3.15 1.01 -1.26 -1.03 120.40 126.91 2bqi s VAL 2 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 2bqi s VAL 2 Cb 0.00 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 2bqi s VAL 2 CO 0.00 -0.30 1.12 -0.36 0.00 0.00 0.00 175.10 175.56 2bqi s PHE 3 N 1.42 2.56 0.18 5.22 0.40 -0.07 -5.00 117.98 122.69 2bqi s PHE 3 Ca 0.01 1.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.78 2bqi s PHE 3 Cb -0.21 -3.21 -0.07 0.00 0.51 0.00 0.00 43.02 40.04 2bqi s PHE 3 CO 0.03 -1.78 0.53 -1.21 0.70 0.00 0.00 175.22 173.49 2bqi s GLU 4 N -4.01 3.86 0.10 0.44 0.41 -1.26 -4.89 118.70 113.35 2bqi s GLU 4 Ca 0.68 0.34 -0.26 0.00 -0.41 0.00 0.00 54.97 55.33 2bqi s GLU 4 Cb -0.22 -2.79 -0.09 0.00 -1.78 0.00 0.00 34.13 29.26 2bqi s GLU 4 CO 0.41 0.40 1.43 -0.09 -0.49 0.00 0.00 175.26 176.92 2bqi h ARG 5 N 3.04 -0.31 0.00 1.61 2.43 -1.96 -1.08 114.38 118.12 2bqi h ARG 5 Ca -0.48 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 58.64 2bqi h ARG 5 Cb 1.18 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 2bqi h ARG 5 CO 0.68 -0.21 -0.33 0.00 -1.51 0.00 0.00 179.97 178.60 2bqi h GLU 7 N 0.00 0.68 -0.40 0.00 4.81 -1.83 -2.16 114.58 115.68 2bqi h GLU 7 Ca -0.00 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 2bqi h GLU 7 Cb 0.62 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2bqi h GLU 7 CO 0.04 0.63 0.07 1.25 -0.73 0.00 0.00 179.01 180.27 2bqi h LEU 8 N 0.60 0.64 -0.27 1.64 5.85 -0.67 -2.38 115.31 120.71 2bqi h LEU 8 Ca 0.15 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2bqi h LEU 8 Cb 0.20 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2bqi h LEU 8 CO -0.01 0.74 -0.14 0.00 -0.34 0.00 0.00 178.44 178.68 2bqi h ALA 9 N 0.93 0.08 -0.90 1.25 0.00 -1.12 0.20 119.26 119.70 2bqi h ALA 9 Ca 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2bqi h ALA 9 Cb 0.37 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2bqi h ALA 9 CO 0.01 -0.54 0.49 0.00 0.00 0.00 0.00 179.25 179.20 2bqi h ARG 10 N -0.11 1.25 -0.39 0.00 3.08 -1.34 -1.18 114.38 115.70 2bqi h ARG 10 Ca 0.15 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2bqi h ARG 10 Cb 0.33 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2bqi h ARG 10 CO -0.34 0.92 0.13 1.15 -1.07 0.00 0.00 179.97 180.76 2bqi h THR 11 N 1.25 1.21 -0.67 2.04 2.02 -0.82 -0.83 112.91 117.11 2bqi h THR 11 Ca 0.31 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 2bqi h THR 11 Cb 0.03 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2bqi h THR 11 CO -0.05 0.23 0.20 -0.07 0.37 0.00 0.00 175.52 176.20 2bqi h LEU 12 N 0.48 0.97 -0.47 2.58 3.38 -0.74 -1.48 115.31 120.02 2bqi h LEU 12 Ca 0.13 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2bqi h LEU 12 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2bqi h LEU 12 CO -0.01 0.91 0.14 0.50 0.09 0.00 0.00 178.44 180.08 2bqi h LYS 13 N 1.00 0.74 -0.01 1.13 3.64 -0.94 -2.03 116.57 120.11 2bqi h LYS 13 Ca 0.22 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2bqi h LYS 13 Cb 0.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2bqi h LYS 13 CO -0.01 0.71 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.62 2bqi h ARG 14 N 0.63 0.01 -0.23 1.90 2.43 -0.81 -2.02 114.38 116.30 2bqi h ARG 14 Ca 0.15 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2bqi h ARG 14 Cb 0.28 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2bqi h ARG 14 CO -0.00 0.18 0.00 1.28 -1.51 0.00 0.00 179.97 179.92 2bqi n LEU 15 N -4.33 1.38 -0.37 3.80 4.77 -0.59 -4.92 117.00 116.74 2bqi n LEU 15 Ca -0.02 -0.66 -0.04 0.00 -0.03 0.00 0.00 56.01 55.26 2bqi n LEU 15 Cb 0.24 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2bqi n LEU 15 CO 0.36 0.33 -0.04 0.61 -1.33 0.00 0.00 177.39 177.32 2bqi n GLY 16 N 0.96 0.34 0.15 -0.72 0.00 -0.76 -4.96 105.19 100.20 2bqi n GLY 16 Ca 0.11 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.43 2bqi n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqi h MET 17 N 0.00 0.00 -6.29 1.61 2.86 -1.57 -3.41 114.93 108.14 2bqi h MET 17 Ca -0.08 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.98 2bqi h MET 17 Cb 0.83 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.46 2bqi h MET 17 CO 0.10 0.10 1.24 0.34 1.06 0.00 0.00 176.91 179.75 2bqi s ASP 18 N -5.81 6.02 0.00 1.22 2.15 -1.26 -1.81 116.67 117.18 2bqi s ASP 18 Ca 0.02 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.38 2bqi s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2bqi s ASP 18 CO 0.75 -1.59 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 2bqi n GLY 19 N 5.24 0.61 3.66 2.66 0.00 0.39 -4.90 105.19 112.87 2bqi n GLY 19 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2bqi n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqi s TYR 20 N -2.15 1.64 -1.48 1.61 5.04 -0.75 -1.84 117.35 119.43 2bqi s TYR 20 Ca 0.00 -0.14 -0.11 0.00 -2.44 0.00 0.00 57.07 54.38 2bqi s TYR 20 Cb 0.00 -4.09 0.07 0.00 0.35 0.00 0.00 41.96 38.29 2bqi s TYR 20 CO 0.00 -4.74 0.82 0.54 -1.34 0.00 0.00 175.55 170.83 2bqi n ARG 21 N 7.26 -5.00 -0.99 4.97 5.12 -1.26 -1.22 116.66 125.54 2bqi n ARG 21 Ca 0.19 0.62 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2bqi n ARG 21 Cb 0.42 -5.47 0.00 0.00 -1.16 0.00 0.00 32.46 26.25 2bqi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqi n GLY 22 N -1.55 0.62 3.55 -0.13 0.00 -0.76 -5.01 105.19 101.91 2bqi n GLY 22 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2bqi n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqi s ILE 23 N -2.56 5.27 0.75 -0.61 1.01 -0.36 -4.91 121.20 119.80 2bqi s ILE 23 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 2bqi s ILE 23 Cb 0.00 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 38.85 2bqi s ILE 23 CO 0.00 0.07 1.10 -0.94 0.00 0.00 0.00 174.94 175.17 2bqi s SER 24 N 1.73 4.53 0.29 3.58 1.04 -1.26 -0.46 113.70 123.15 2bqi s SER 24 Ca 0.08 1.92 -0.02 0.00 0.48 0.00 0.00 55.95 58.40 2bqi s SER 24 Cb -0.17 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 63.83 2bqi s SER 24 CO 0.11 -2.02 1.93 0.25 0.98 0.00 0.00 173.24 174.49 2bqi h LEU 25 N -0.86 0.94 -1.58 2.42 5.85 -1.91 -1.74 115.31 118.44 2bqi h LEU 25 Ca -0.44 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2bqi h LEU 25 Cb 1.24 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2bqi h LEU 25 CO 0.51 0.72 0.30 0.00 -0.34 0.00 0.00 178.44 179.64 2bqi h ALA 26 N 1.44 1.72 -0.13 1.25 0.00 -1.91 -0.26 119.26 121.37 2bqi h ALA 26 Ca 0.28 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.94 2bqi h ALA 26 Cb -0.04 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2bqi h ALA 26 CO -0.05 0.24 -0.80 -0.91 0.00 0.00 0.00 179.25 177.73 2bqi h ASN 27 N 0.58 0.87 -0.18 0.00 2.35 -1.65 -1.50 115.58 116.05 2bqi h ASN 27 Ca 0.17 -0.59 -0.07 0.00 -0.55 0.00 0.00 56.30 55.27 2bqi h ASN 27 Cb -0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 2bqi h ASN 27 CO -0.04 1.38 -0.10 -0.50 -1.65 0.00 0.00 177.43 176.52 2bqi h TRP 28 N 0.49 0.58 -0.45 1.19 4.06 -1.05 -1.01 115.95 119.75 2bqi h TRP 28 Ca -0.06 -0.09 -0.10 0.00 2.06 0.00 0.00 58.89 60.71 2bqi h TRP 28 Cb 1.43 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.42 2bqi h TRP 28 CO 0.08 0.63 -0.10 0.52 -3.56 0.00 0.00 178.44 176.01 2bqi h MET 29 N 0.50 0.87 -0.78 0.49 2.86 -0.96 -1.80 114.93 116.12 2bqi h MET 29 Ca 0.10 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2bqi h MET 29 Cb 0.48 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.05 2bqi h MET 29 CO 0.03 0.97 0.37 0.00 1.06 0.00 0.00 176.91 179.33 2bqi h LEU 31 N 1.11 -0.29 -1.13 0.00 5.85 -1.02 -2.59 115.31 117.23 2bqi h LEU 31 Ca 0.27 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2bqi h LEU 31 Cb 0.13 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2bqi h LEU 31 CO -0.03 -0.11 0.59 0.00 -0.34 0.00 0.00 178.44 178.55 2bqi h ALA 32 N 0.26 1.40 0.05 1.25 0.00 -1.20 0.12 119.26 121.14 2bqi h ALA 32 Ca -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2bqi h ALA 32 Cb 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bqi h ALA 32 CO 0.06 0.53 -0.08 -0.22 0.00 0.00 0.00 179.25 179.54 2bqi h LYS 33 N 1.17 -0.16 0.00 0.00 1.63 -1.08 -1.34 116.57 116.78 2bqi h LYS 33 Ca 0.34 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.99 2bqi h LYS 33 Cb -0.06 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 2bqi h LYS 33 CO -0.09 -0.10 -0.77 -1.49 -3.45 0.00 0.00 179.45 173.55 2bqi h TRP 34 N -0.16 0.00 -0.03 1.91 4.06 -1.24 -1.04 115.95 119.44 2bqi h TRP 34 Ca 0.02 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 2bqi h TRP 34 Cb 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.34 2bqi h TRP 34 CO -0.12 0.74 -0.49 0.93 -3.56 0.00 0.00 178.44 175.94 2bqi h GLU 35 N 0.00 0.38 0.00 0.49 4.39 -0.69 -3.42 114.58 115.73 2bqi h GLU 35 Ca -0.01 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.31 2bqi h GLU 35 Cb 1.58 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 2bqi h GLU 35 CO 0.10 1.04 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 2bqi n SER 36 N -4.29 0.04 -1.19 1.42 3.41 -0.55 -4.85 113.62 107.60 2bqi n SER 36 Ca -0.10 -0.41 -0.09 0.00 -0.26 0.00 0.00 58.87 58.02 2bqi n SER 36 Cb 0.61 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 2bqi n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqi n GLY 37 N 0.06 0.12 2.52 5.00 0.00 -0.39 -3.15 105.19 109.35 2bqi n GLY 37 Ca 0.00 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 2bqi n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqi n TYR 38 N -3.86 -1.16 -3.72 1.61 4.01 -1.18 -4.77 117.16 108.10 2bqi n TYR 38 Ca -0.07 0.15 -0.38 0.00 -0.16 0.00 0.00 57.90 57.44 2bqi n TYR 38 Cb 0.56 -3.79 -0.12 0.00 -0.31 0.00 0.00 39.34 35.68 2bqi n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqi s ASN 39 N -2.35 5.28 0.52 7.72 2.47 -1.19 -0.89 114.94 126.50 2bqi s ASN 39 Ca 0.09 -0.66 0.29 0.00 0.42 0.00 0.00 52.86 53.00 2bqi s ASN 39 Cb -0.04 -1.92 1.39 0.00 -1.45 0.00 0.00 41.25 39.23 2bqi s ASN 39 CO 0.11 -0.20 2.02 0.71 -3.72 0.00 0.00 177.10 176.02 2bqi h THR 40 N 5.80 0.42 -0.63 -5.21 1.35 -1.40 -2.97 112.91 110.27 2bqi h THR 40 Ca -0.31 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2bqi h THR 40 Cb 1.13 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2bqi h THR 40 CO 0.61 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.88 2bqi n ARG 41 N -3.44 3.36 -2.01 4.72 1.85 -1.26 -4.02 116.66 115.86 2bqi n ARG 41 Ca -0.01 -2.76 -0.42 0.00 -1.00 0.00 0.00 57.85 53.67 2bqi n ARG 41 Cb 0.28 -1.75 -0.03 0.00 -1.05 0.00 0.00 32.46 29.92 2bqi n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqi s ALA 42 N -1.59 3.68 0.04 2.89 0.00 -1.13 -4.81 121.76 120.84 2bqi s ALA 42 Ca 0.48 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.77 2bqi s ALA 42 Cb 0.29 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2bqi s ALA 42 CO 0.26 -0.73 -0.08 0.95 0.00 0.00 0.00 175.76 176.15 2bqi s THR 43 N 0.62 0.60 -0.12 0.00 -4.23 -1.26 -0.37 115.64 110.88 2bqi s THR 43 Ca 0.64 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 60.14 2bqi s THR 43 Cb -0.42 -0.63 0.06 0.00 1.34 0.00 0.00 72.50 72.85 2bqi s THR 43 CO 0.36 -0.28 0.16 0.21 -0.54 0.00 0.00 174.62 174.53 2bqi s ASN 44 N -1.37 1.11 -0.10 3.99 2.47 -0.25 -4.96 114.94 115.84 2bqi s ASN 44 Ca -0.07 0.08 -0.25 0.00 0.42 0.00 0.00 52.86 53.04 2bqi s ASN 44 Cb -0.09 0.21 -0.03 0.00 -1.45 0.00 0.00 41.25 39.90 2bqi s ASN 44 CO 0.01 -0.28 0.78 -0.47 -3.72 0.00 0.00 177.10 173.41 2bqi s TYR 45 N 2.27 3.52 -0.59 0.43 5.04 -1.26 -0.48 117.35 126.29 2bqi s TYR 45 Ca 0.04 1.29 -0.14 0.00 -2.44 0.00 0.00 57.07 55.82 2bqi s TYR 45 Cb -0.13 -2.91 0.15 0.00 0.35 0.00 0.00 41.96 39.41 2bqi s TYR 45 CO -0.07 -0.05 0.53 -0.80 -1.34 0.00 0.00 175.55 173.82 2bqi s ASN 46 N 0.97 6.21 0.41 4.32 0.01 -0.12 -4.93 114.94 121.80 2bqi s ASN 46 Ca 0.39 -2.02 0.10 0.00 -0.71 0.00 0.00 52.86 50.63 2bqi s ASN 46 Cb -0.18 -2.17 0.92 0.00 0.41 0.00 0.00 41.25 40.23 2bqi s ASN 46 CO 0.17 -0.76 1.99 0.00 -1.51 0.00 0.00 177.10 176.98 2bqi h ALA 47 N 8.55 1.87 -0.49 0.60 0.00 -1.95 0.92 119.26 128.76 2bqi h ALA 47 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2bqi h ALA 47 Cb 1.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2bqi h ALA 47 CO 0.95 0.02 0.32 0.78 0.00 0.00 0.00 179.25 181.31 2bqi h GLY 48 N 0.53 0.69 -0.48 0.00 0.00 -1.96 -3.28 103.07 98.58 2bqi h GLY 48 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2bqi h GLY 48 CO -0.08 0.26 0.00 2.09 0.00 0.00 0.00 176.54 178.81 2bqi n ASP 49 N -4.73 1.84 -2.48 0.19 5.75 -1.15 -5.02 116.55 110.95 2bqi n ASP 49 Ca 0.02 -1.54 -0.19 0.00 -0.01 0.00 0.00 54.79 53.07 2bqi n ASP 49 Cb 0.03 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.10 2bqi n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqi n ARG 50 N 0.15 -3.55 -4.26 0.11 1.74 0.31 -4.77 116.66 106.39 2bqi n ARG 50 Ca 0.04 0.81 -0.24 0.00 -0.77 0.00 0.00 57.85 57.69 2bqi n ARG 50 Cb 0.21 -5.38 -0.08 0.00 -1.02 0.00 0.00 32.46 26.20 2bqi n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqi s SER 51 N -2.62 4.40 -0.01 0.55 1.04 -1.19 -4.43 113.70 111.44 2bqi s SER 51 Ca 0.20 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.82 2bqi s SER 51 Cb -0.09 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 2bqi s SER 51 CO 0.24 -0.20 -0.14 -0.89 0.98 0.00 0.00 173.24 173.24 2bqi s THR 52 N -2.45 1.11 -0.17 2.02 2.01 -1.26 -0.95 115.64 115.96 2bqi s THR 52 Ca 0.35 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 2bqi s THR 52 Cb -0.02 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 2bqi s THR 52 CO 0.20 0.32 0.30 -1.81 -0.69 0.00 0.00 174.62 172.93 2bqi s ASP 53 N -0.32 6.43 -0.05 3.53 1.01 0.37 -1.27 116.67 126.37 2bqi s ASP 53 Ca 0.05 0.50 0.06 0.00 0.71 0.00 0.00 52.55 53.87 2bqi s ASP 53 Cb -0.06 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 2bqi s ASP 53 CO -0.00 0.08 -0.24 -0.31 0.21 0.00 0.00 175.17 174.91 2bqi s TYR 54 N 0.55 2.45 0.00 4.23 2.02 -0.02 -1.09 117.35 125.49 2bqi s TYR 54 Ca 0.16 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2bqi s TYR 54 Cb -0.13 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.84 2bqi s TYR 54 CO 0.04 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 2bqi n GLY 55 N 2.81 -2.05 0.37 0.71 0.00 0.50 -1.73 105.19 105.80 2bqi n GLY 55 Ca -0.17 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.56 2bqi n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqi h ILE 56 N -0.02 0.87 -0.19 -0.61 2.10 -1.68 -0.81 117.51 117.17 2bqi h ILE 56 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2bqi h ILE 56 Cb 0.02 0.30 0.00 0.00 -1.09 0.00 0.00 36.82 36.04 2bqi h ILE 56 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 2bqi n PHE 57 N -4.49 0.23 -3.63 2.19 3.72 -1.26 -4.00 117.46 110.21 2bqi n PHE 57 Ca 0.13 -0.12 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 2bqi n PHE 57 Cb 0.42 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.00 2bqi n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqi n GLN 58 N 1.41 -1.28 -2.86 -1.08 1.13 -0.31 -4.93 117.38 109.47 2bqi n GLN 58 Ca 0.16 0.54 -0.41 0.00 -1.94 0.00 0.00 57.00 55.36 2bqi n GLN 58 Cb 0.60 -4.19 -0.04 0.00 0.11 0.00 0.00 30.24 26.72 2bqi n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqi s ILE 59 N -3.41 4.92 0.09 5.09 1.01 -0.71 -4.52 121.20 123.67 2bqi s ILE 59 Ca 0.43 1.79 -0.28 0.00 0.00 0.00 0.00 60.65 62.59 2bqi s ILE 59 Cb -0.15 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 2bqi s ILE 59 CO 0.85 0.21 0.90 0.21 0.00 0.00 0.00 174.94 177.11 2bqi s ASN 60 N 0.82 7.40 0.07 3.58 3.84 -1.26 -0.84 114.94 128.56 2bqi s ASN 60 Ca 0.45 1.68 0.15 0.00 0.21 0.00 0.00 52.86 55.35 2bqi s ASN 60 Cb -0.20 -2.55 0.65 0.00 -0.55 0.00 0.00 41.25 38.61 2bqi s ASN 60 CO 0.24 -0.04 1.48 -1.54 -2.79 0.00 0.00 177.10 174.44 2bqi n SER 61 N 2.80 0.18 0.16 -4.21 3.41 -0.39 -2.08 113.62 113.48 2bqi n SER 61 Ca 0.01 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 2bqi n SER 61 Cb 0.50 -0.58 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 2bqi n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqi h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.81 -3.40 114.38 115.93 2bqi h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2bqi h ARG 62 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2bqi h ARG 62 CO 0.00 0.39 -0.62 0.66 -1.51 0.00 0.00 179.97 178.89 2bqi n TYR 63 N -3.20 0.00 -0.04 2.20 4.01 -1.17 0.11 117.16 119.08 2bqi n TYR 63 Ca 0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.78 2bqi n TYR 63 Cb 0.69 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.58 2bqi n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqi n TRP 64 N -1.77 0.00 -4.00 -0.72 7.02 -0.88 0.20 117.44 117.29 2bqi n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2bqi n TRP 64 Cb 0.31 -0.63 -0.09 0.00 -2.42 0.00 0.00 31.31 28.48 2bqi n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqi s ASN 66 N -2.60 5.46 0.00 0.00 2.47 0.54 -4.45 114.94 116.36 2bqi s ASN 66 Ca 0.02 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.29 2bqi s ASN 66 Cb 0.04 -1.95 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 2bqi s ASN 66 CO -0.08 0.11 0.83 -0.90 -3.72 0.00 0.00 177.10 173.34 2bqi n ASP 67 N 3.95 1.51 0.00 -4.21 5.68 -1.26 -1.35 116.55 120.87 2bqi n ASP 67 Ca -0.16 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2bqi n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2bqi n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bqi n GLY 68 N -0.35 1.47 0.98 6.12 0.00 -1.26 -4.67 105.19 107.49 2bqi n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bqi n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqi n LYS 69 N -0.40 2.27 -3.13 1.61 2.85 -1.26 -4.92 118.16 115.18 2bqi n LYS 69 Ca 0.00 -2.09 -0.41 0.00 -1.05 0.00 0.00 58.31 54.76 2bqi n LYS 69 Cb 0.00 -1.44 -0.07 0.00 -0.65 0.00 0.00 35.03 32.88 2bqi n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqi s THR 70 N -1.36 4.95 0.69 0.58 2.01 -1.26 -4.98 115.64 116.26 2bqi s THR 70 Ca 0.33 0.81 -0.17 0.00 0.31 0.00 0.00 61.69 62.97 2bqi s THR 70 Cb 0.19 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2bqi s THR 70 CO 0.27 -0.14 1.19 -2.65 -0.69 0.00 0.00 174.62 172.60 2bqi n PRO 71 N 5.86 0.81 -4.33 4.92 -0.02 -1.26 -2.82 135.00 138.16 2bqi n PRO 71 Ca -0.01 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 2bqi n PRO 71 Cb 0.49 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 2bqi n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bqi n GLY 72 N 0.92 -0.42 3.82 -1.23 0.00 -1.26 -4.89 105.19 102.14 2bqi n GLY 72 Ca 0.15 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 2bqi n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqi s ALA 73 N -3.18 2.91 0.13 4.61 0.00 -1.13 -4.96 121.76 120.15 2bqi s ALA 73 Ca 0.76 0.36 0.05 0.00 0.00 0.00 0.00 51.96 53.13 2bqi s ALA 73 Cb -0.44 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2bqi s ALA 73 CO 0.94 -0.41 -0.11 0.08 0.00 0.00 0.00 175.76 176.26 2bqi s VAL 74 N -2.40 1.19 -0.45 0.00 1.01 0.31 -5.00 120.40 115.06 2bqi s VAL 74 Ca 0.62 -1.88 0.09 0.00 0.00 0.00 0.00 61.98 60.82 2bqi s VAL 74 Cb -0.13 -1.66 0.33 0.00 0.00 0.00 0.00 36.38 34.92 2bqi s VAL 74 CO 0.29 -0.61 0.77 -3.20 0.00 0.00 0.00 175.10 172.35 2bqi n ASN 75 N 0.16 1.99 -0.13 3.32 5.15 -1.24 -3.43 115.26 121.09 2bqi n ASN 75 Ca -0.13 -3.20 -0.04 0.00 -0.60 0.00 0.00 54.58 50.61 2bqi n ASN 75 Cb 0.59 -0.61 0.03 0.00 -0.53 0.00 0.00 39.78 39.26 2bqi n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bqi h ALA 76 N 3.16 0.38 0.00 5.20 0.00 -0.47 -1.45 119.26 126.08 2bqi h ALA 76 Ca 0.11 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2bqi h ALA 76 Cb 0.81 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2bqi h ALA 76 CO 0.61 -0.39 -0.49 0.00 0.00 0.00 0.00 179.25 178.97 2bqi h ALA 77 N 1.37 1.14 0.00 0.00 0.00 -1.70 -3.48 119.26 116.60 2bqi h ALA 77 Ca 0.21 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2bqi h ALA 77 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bqi h ALA 77 CO -0.35 0.62 0.00 0.72 0.00 0.00 0.00 179.25 180.24 2bqi n HIS 78 N -3.89 0.00 -4.02 0.00 -0.00 -0.55 -5.03 115.22 101.73 2bqi n HIS 78 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 2bqi n HIS 78 Cb 0.52 -0.58 -0.04 0.00 -0.00 0.00 0.00 29.99 29.89 2bqi n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqi s LEU 79 N 0.00 4.06 0.13 2.41 1.43 -1.26 -4.97 118.68 120.48 2bqi s LEU 79 Ca 0.00 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2bqi s LEU 79 Cb 0.00 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.51 2bqi s LEU 79 CO 0.00 0.03 0.80 -0.55 0.23 0.00 0.00 176.35 176.86 2bqi s SER 80 N -3.34 7.36 0.62 2.29 0.15 -1.26 -0.34 113.70 119.18 2bqi s SER 80 Ca 0.33 1.61 0.41 0.00 0.70 0.00 0.00 55.95 59.00 2bqi s SER 80 Cb -0.10 -2.50 2.22 0.00 -1.71 0.00 0.00 66.02 63.93 2bqi s SER 80 CO 0.26 0.12 2.25 0.00 1.20 0.00 0.00 173.24 177.08 2bqi h SER 82 N 0.00 0.48 0.12 0.00 0.87 -1.91 -2.07 113.55 111.04 2bqi h SER 82 Ca 0.00 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2bqi h SER 82 Cb 0.05 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2bqi h SER 82 CO 0.00 0.51 -0.03 0.00 -0.53 0.00 0.00 176.83 176.78 2bqi h ALA 83 N 1.56 1.34 -0.34 6.23 0.00 -1.62 -1.80 119.26 124.63 2bqi h ALA 83 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bqi h ALA 83 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2bqi h ALA 83 CO 0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2bqi n LEU 84 N -3.62 1.89 -0.27 0.00 4.77 -0.78 -3.45 117.00 115.55 2bqi n LEU 84 Ca -0.03 -0.93 0.03 0.00 -0.03 0.00 0.00 56.01 55.05 2bqi n LEU 84 Cb 0.12 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 2bqi n LEU 84 CO 0.27 0.47 0.56 0.18 -1.33 0.00 0.00 177.39 177.53 2bqi n LEU 85 N 0.53 2.44 -4.89 2.23 4.77 -0.68 -3.31 117.00 118.10 2bqi n LEU 85 Ca 0.12 -2.13 -0.30 0.00 -0.03 0.00 0.00 56.01 53.68 2bqi n LEU 85 Cb 0.30 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 2bqi n LEU 85 CO 0.09 0.60 0.69 -1.10 -1.33 0.00 0.00 177.39 176.35 2bqi s GLN 86 N -1.22 3.04 0.18 3.23 -0.21 -1.22 -4.58 119.66 118.87 2bqi s GLN 86 Ca 0.12 0.42 0.04 0.00 0.02 0.00 0.00 55.36 55.97 2bqi s GLN 86 Cb 0.08 -2.09 0.03 0.00 1.00 0.00 0.00 33.01 32.03 2bqi s GLN 86 CO 0.06 -0.85 1.41 -0.44 -2.12 0.00 0.00 175.29 173.35 2bqi h ASP 87 N -0.47 0.19 -3.45 5.90 3.32 -1.93 -3.42 116.42 116.57 2bqi h ASP 87 Ca -0.45 -0.15 -0.59 0.00 0.02 0.00 0.00 57.03 55.86 2bqi h ASP 87 Cb 1.24 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 2bqi h ASP 87 CO 0.63 0.94 0.66 0.21 -1.72 0.00 0.00 179.24 179.96 2bqi s ASN 88 N -6.89 6.74 -0.04 6.45 3.84 -1.26 -4.93 114.94 118.85 2bqi s ASN 88 Ca -0.02 0.70 0.06 0.00 0.21 0.00 0.00 52.86 53.81 2bqi s ASN 88 Cb 0.11 -2.48 0.25 0.00 -0.55 0.00 0.00 41.25 38.57 2bqi s ASN 88 CO 0.82 -0.86 1.04 2.30 -2.79 0.00 0.00 177.10 177.61 2bqi n ILE 89 N 5.95 0.66 -0.30 -5.21 -5.35 -1.26 -4.37 119.36 109.48 2bqi n ILE 89 Ca 0.08 -0.41 -0.01 0.00 -0.27 0.00 0.00 62.75 62.14 2bqi n ILE 89 Cb 0.48 -0.16 0.11 0.00 -1.74 0.00 0.00 39.64 38.33 2bqi n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqi h ALA 90 N 3.03 1.10 -0.15 -1.28 0.00 -1.95 -0.18 119.26 119.84 2bqi h ALA 90 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2bqi h ALA 90 Cb 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2bqi h ALA 90 CO 0.09 0.31 -0.71 -0.44 0.00 0.00 0.00 179.25 178.50 2bqi h ASP 91 N 0.99 0.76 -0.04 0.00 3.32 -1.87 -2.12 116.42 117.46 2bqi h ASP 91 Ca 0.34 -0.48 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2bqi h ASP 91 Cb 0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2bqi h ASP 91 CO -0.14 1.25 -0.09 0.00 -1.72 0.00 0.00 179.24 178.55 2bqi h ALA 92 N 0.74 1.51 -0.21 3.45 0.00 -1.68 -1.38 119.26 121.69 2bqi h ALA 92 Ca -0.03 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 2bqi h ALA 92 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bqi h ALA 92 CO 0.14 0.35 -0.51 0.28 0.00 0.00 0.00 179.25 179.51 2bqi h VAL 93 N 0.28 1.31 -0.42 0.00 2.07 -0.88 -0.59 116.25 118.01 2bqi h VAL 93 Ca 0.06 -1.72 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 2bqi h VAL 93 Cb 0.33 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2bqi h VAL 93 CO 0.02 0.54 0.04 0.00 0.02 0.00 0.00 177.57 178.19 2bqi h ALA 94 N 0.61 1.28 -0.07 1.67 0.00 -1.08 -0.47 119.26 121.20 2bqi h ALA 94 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2bqi h ALA 94 Cb 1.12 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2bqi h ALA 94 CO 0.11 0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.82 2bqi h ALA 95 N 1.41 0.10 -1.00 0.00 0.00 -1.21 -2.51 119.26 116.05 2bqi h ALA 95 Ca 0.14 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2bqi h ALA 95 Cb 0.34 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2bqi h ALA 95 CO 0.01 -0.15 0.65 0.00 0.00 0.00 0.00 179.25 179.76 2bqi h ALA 96 N 0.62 1.36 -0.69 0.00 0.00 -0.80 -0.88 119.26 118.87 2bqi h ALA 96 Ca 0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2bqi h ALA 96 Cb 0.48 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2bqi h ALA 96 CO 0.01 0.49 0.24 0.87 0.00 0.00 0.00 179.25 180.86 2bqi h LYS 97 N 1.21 1.05 -0.36 0.00 1.57 -1.05 -2.74 116.57 116.25 2bqi h LYS 97 Ca 0.42 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2bqi h LYS 97 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2bqi h LYS 97 CO -0.15 0.88 0.09 -0.09 -0.57 0.00 0.00 179.45 179.61 2bqi h ARG 98 N 1.02 0.57 -0.36 3.15 9.65 -0.83 -2.88 114.38 124.70 2bqi h ARG 98 Ca 0.23 -0.14 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 2bqi h ARG 98 Cb 0.25 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.69 2bqi h ARG 98 CO -0.01 0.61 -0.04 0.28 2.80 0.00 0.00 179.97 183.61 2bqi h VAL 99 N 0.43 0.69 0.00 0.20 2.07 -0.94 -2.12 116.25 116.59 2bqi h VAL 99 Ca 0.11 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2bqi h VAL 99 Cb 0.29 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2bqi h VAL 99 CO 0.00 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.93 2bqi n VAL 100 N -5.22 0.12 0.94 2.57 0.24 -1.06 -2.48 118.33 113.44 2bqi n VAL 100 Ca 0.02 0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.48 2bqi n VAL 100 Cb 0.19 -0.66 0.58 0.00 -1.47 0.00 0.00 33.84 32.48 2bqi n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqi n ARG 101 N -1.11 0.01 -2.98 7.34 1.74 -0.80 -4.21 116.66 116.65 2bqi n ARG 101 Ca 0.15 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.95 2bqi n ARG 101 Cb 0.12 -1.51 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 2bqi n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqi s ASP 102 N -3.06 6.59 0.54 0.55 1.11 -1.04 -4.98 116.67 116.38 2bqi s ASP 102 Ca 0.13 1.15 0.41 0.00 0.18 0.00 0.00 52.55 54.41 2bqi s ASP 102 Cb 0.18 -2.32 1.60 0.00 1.07 0.00 0.00 42.92 43.44 2bqi s ASP 102 CO 0.51 -0.32 1.70 1.55 1.18 0.00 0.00 175.17 179.79 2bqi h PRO 103 N 1.61 0.02 0.00 8.23 0.13 -1.89 -0.61 132.00 139.48 2bqi h PRO 103 Ca -0.47 -0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2bqi h PRO 103 Cb 1.18 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2bqi h PRO 103 CO 0.65 0.02 -0.17 1.96 -0.23 0.00 0.00 178.00 180.22 2bqi h GLN 104 N 0.02 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 114.81 2bqi h GLN 104 Ca 0.73 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.44 2bqi h GLN 104 Cb 2.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.61 2bqi h GLN 104 CO -0.05 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 2bqi n GLY 105 N -0.73 2.44 0.17 3.46 0.00 -0.24 -1.72 105.19 108.57 2bqi n GLY 105 Ca -0.02 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.65 2bqi n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqi h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.90 -2.63 117.51 118.46 2bqi h ILE 106 Ca 0.00 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2bqi h ILE 106 Cb 0.00 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.29 2bqi h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2bqi n ARG 107 N -2.42 0.41 0.23 2.19 1.74 -0.70 -2.62 116.66 115.49 2bqi n ARG 107 Ca 0.01 0.05 0.07 0.00 -0.77 0.00 0.00 57.85 57.21 2bqi n ARG 107 Cb 0.21 -1.50 0.55 0.00 -1.02 0.00 0.00 32.46 30.71 2bqi n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqi h ALA 108 N 2.90 1.46 -2.55 7.54 0.00 -1.61 -3.39 119.26 123.61 2bqi h ALA 108 Ca 0.00 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 54.09 2bqi h ALA 108 Cb 0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 17.66 2bqi h ALA 108 CO 0.00 0.25 -0.10 -1.58 0.00 0.00 0.00 179.25 177.82 2bqi s TRP 109 N -4.35 3.22 0.31 0.00 0.51 -1.08 -4.95 118.94 112.60 2bqi s TRP 109 Ca -0.03 0.32 -0.00 0.00 -2.12 0.00 0.00 56.10 54.26 2bqi s TRP 109 Cb 0.14 -2.78 0.48 0.00 -0.81 0.00 0.00 33.47 30.51 2bqi s TRP 109 CO 0.66 -0.40 1.92 0.28 -0.51 0.00 0.00 176.95 178.90 2bqi h VAL 110 N 5.51 1.20 -0.55 4.03 2.07 -1.89 -1.91 116.25 124.71 2bqi h VAL 110 Ca -0.29 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 66.80 2bqi h VAL 110 Cb 1.14 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2bqi h VAL 110 CO 0.72 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.92 2bqi h ALA 111 N 1.46 2.16 -0.45 1.67 0.00 -1.94 -1.71 119.26 120.45 2bqi h ALA 111 Ca 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2bqi h ALA 111 Cb 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2bqi h ALA 111 CO -0.03 -0.29 0.14 2.35 0.00 0.00 0.00 179.25 181.42 2bqi h TRP 112 N 0.27 0.72 -0.58 0.00 7.01 -1.65 -1.27 115.95 120.44 2bqi h TRP 112 Ca 0.26 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.14 2bqi h TRP 112 Cb 0.66 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.49 2bqi h TRP 112 CO -0.00 0.64 0.19 0.00 -2.79 0.00 0.00 178.44 176.48 2bqi h ARG 113 N 0.58 0.90 -0.05 2.65 -0.00 -1.38 0.21 114.38 117.29 2bqi h ARG 113 Ca 0.14 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2bqi h ARG 113 Cb 0.26 -0.13 -0.00 0.00 0.00 0.00 0.00 29.97 30.10 2bqi h ARG 113 CO -0.01 0.81 0.01 -0.91 0.00 0.00 0.00 179.97 179.87 2bqi h ASN 114 N 0.82 0.08 -0.01 7.04 2.35 -1.31 -3.37 115.58 121.19 2bqi h ASN 114 Ca 0.19 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2bqi h ASN 114 Cb 0.27 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2bqi h ASN 114 CO -0.01 0.32 0.00 -2.11 -1.65 0.00 0.00 177.43 173.98 2bqi n ARG 115 N -4.91 -0.41 -0.00 0.81 0.00 -0.49 -4.87 116.66 106.79 2bqi n ARG 115 Ca -0.07 -0.74 -0.00 0.00 -0.00 0.00 0.00 57.85 57.04 2bqi n ARG 115 Cb 0.16 -1.07 -0.00 0.00 -0.00 0.00 0.00 32.46 31.55 2bqi n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqi n GLN 117 N -2.87 1.58 -2.10 0.00 7.27 0.24 -2.13 117.38 119.37 2bqi n GLN 117 Ca -0.00 0.57 -0.18 0.00 0.07 0.00 0.00 57.00 57.45 2bqi n GLN 117 Cb 0.50 -2.27 -0.03 0.00 2.41 0.00 0.00 30.24 30.85 2bqi n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqi n ASN 118 N 3.16 -5.32 -4.67 1.69 5.03 -1.26 -4.96 115.26 108.92 2bqi n ASN 118 Ca 0.18 0.13 -0.27 0.00 0.87 0.00 0.00 54.58 55.49 2bqi n ASN 118 Cb 0.23 -4.40 -0.09 0.00 -1.02 0.00 0.00 39.78 34.49 2bqi n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqi s ARG 119 N -4.50 2.07 -0.55 3.52 0.52 -0.91 -5.07 118.95 114.03 2bqi s ARG 119 Ca 0.00 -2.03 -0.26 0.00 -0.52 0.00 0.00 55.73 52.92 2bqi s ARG 119 Cb 0.00 -1.76 0.04 0.00 0.52 0.00 0.00 34.95 33.75 2bqi s ARG 119 CO 0.00 -0.10 1.02 0.34 0.02 0.00 0.00 175.30 176.58 2bqi s ASP 120 N -3.79 6.39 0.00 0.23 2.15 -1.26 -4.87 116.67 115.52 2bqi s ASP 120 Ca 0.36 -0.15 0.25 0.00 0.43 0.00 0.00 52.55 53.44 2bqi s ASP 120 Cb 0.07 -2.47 0.52 0.00 -0.30 0.00 0.00 42.92 40.73 2bqi s ASP 120 CO 0.19 -1.28 1.44 0.00 -0.17 0.00 0.00 175.17 175.35 2bqi n ALA 121 N 7.73 2.49 -0.23 3.66 0.00 -1.26 -4.45 120.51 128.45 2bqi n ALA 121 Ca 0.04 -0.65 0.17 0.00 0.00 0.00 0.00 53.44 53.01 2bqi n ALA 121 Cb 0.48 -0.94 0.48 0.00 0.00 0.00 0.00 19.45 19.47 2bqi n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bqi h ARG 122 N 3.80 0.45 -0.24 0.00 3.08 -1.92 -1.39 114.38 118.16 2bqi h ARG 122 Ca 0.00 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.09 2bqi h ARG 122 Cb 0.81 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 2bqi h ARG 122 CO 0.00 0.30 0.32 -0.56 -1.07 0.00 0.00 179.97 178.95 2bqi h GLN 123 N 0.46 0.00 0.00 0.04 3.07 -1.96 -1.44 115.11 115.28 2bqi h GLN 123 Ca 0.44 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.10 2bqi h GLN 123 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.56 2bqi h GLN 123 CO -0.17 0.00 -0.38 1.88 0.09 0.00 0.00 178.83 180.25 2bqi h TYR 124 N 0.00 0.00 -0.00 0.06 0.05 -1.58 -3.34 116.97 112.15 2bqi h TYR 124 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2bqi h TYR 124 Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 2bqi h TYR 124 CO 0.00 0.38 -0.02 1.33 -1.05 0.00 0.00 178.16 178.80 2bqi n VAL 125 N -3.34 0.00 -1.96 -2.88 0.24 -0.66 -4.83 118.33 104.90 2bqi n VAL 125 Ca 0.01 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 2bqi n VAL 125 Cb 0.59 1.04 -0.03 0.00 -1.47 0.00 0.00 33.84 33.97 2bqi n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqi s GLN 126 N -0.38 4.22 0.00 7.34 2.00 -0.64 -2.48 119.66 129.73 2bqi s GLN 126 Ca 0.02 2.33 0.00 0.00 -2.00 0.00 0.00 55.36 55.71 2bqi s GLN 126 Cb 0.02 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.60 2bqi s GLN 126 CO 0.04 -0.61 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 2bqi n GLY 127 N 3.76 0.86 0.15 2.59 0.00 -1.26 -4.93 105.19 106.36 2bqi n GLY 127 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2bqi n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqi n GLY 129 N 1.39 0.75 0.53 0.00 0.00 -1.26 -4.83 105.19 101.77 2bqi n GLY 129 Ca 0.10 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.42 2bqi n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65