#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqd s VAL 2 N 0.00 4.27 0.60 3.15 1.01 -1.26 -1.24 120.40 126.93 2bqd s VAL 2 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2bqd s VAL 2 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2bqd s VAL 2 CO 0.00 -0.23 1.10 -0.36 0.00 0.00 0.00 175.10 175.61 2bqd s PHE 3 N 1.49 2.73 0.21 5.22 0.40 -0.18 -5.01 117.98 122.84 2bqd s PHE 3 Ca 0.01 1.54 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 2bqd s PHE 3 Cb -0.20 -3.17 -0.07 0.00 0.51 0.00 0.00 43.02 40.10 2bqd s PHE 3 CO 0.05 -1.50 0.55 -1.21 0.70 0.00 0.00 175.22 173.81 2bqd s GLU 4 N -3.81 3.84 0.08 0.44 0.41 -1.26 -4.90 118.70 113.50 2bqd s GLU 4 Ca 0.68 0.32 -0.20 0.00 -0.41 0.00 0.00 54.97 55.36 2bqd s GLU 4 Cb -0.20 -2.70 -0.07 0.00 -1.78 0.00 0.00 34.13 29.38 2bqd s GLU 4 CO 0.35 0.35 1.34 -0.09 -0.49 0.00 0.00 175.26 176.71 2bqd h ARG 5 N 2.74 -0.27 -0.32 1.61 2.43 -1.96 -1.28 114.38 117.32 2bqd h ARG 5 Ca -0.47 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 2bqd h ARG 5 Cb 1.17 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2bqd h ARG 5 CO 0.68 -0.18 0.07 0.00 -1.51 0.00 0.00 179.97 179.03 2bqd h GLU 7 N 0.46 0.60 -0.44 0.00 4.81 -1.87 -1.87 114.58 116.27 2bqd h GLU 7 Ca 0.11 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2bqd h GLU 7 Cb 0.19 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2bqd h GLU 7 CO -0.00 0.44 0.16 1.25 -0.73 0.00 0.00 179.01 180.13 2bqd h LEU 8 N 0.58 0.62 -0.53 1.64 5.85 -0.66 -2.44 115.31 120.38 2bqd h LEU 8 Ca 0.16 -0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.77 2bqd h LEU 8 Cb -0.00 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2bqd h LEU 8 CO -0.03 0.64 0.17 0.00 -0.34 0.00 0.00 178.44 178.88 2bqd h ALA 9 N 1.00 0.64 -0.49 1.25 0.00 -0.85 -0.28 119.26 120.53 2bqd h ALA 9 Ca 0.14 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2bqd h ALA 9 Cb 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2bqd h ALA 9 CO -0.01 -0.24 -0.17 0.00 0.00 0.00 0.00 179.25 178.83 2bqd h ARG 10 N 0.33 0.97 -0.81 0.00 3.08 -1.29 -1.71 114.38 114.94 2bqd h ARG 10 Ca 0.26 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 2bqd h ARG 10 Cb 0.31 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2bqd h ARG 10 CO -0.29 1.05 0.34 1.15 -1.07 0.00 0.00 179.97 181.16 2bqd h THR 11 N 0.85 1.26 -0.39 2.04 2.02 -0.87 -0.51 112.91 117.31 2bqd h THR 11 Ca 0.12 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.36 2bqd h THR 11 Cb 0.73 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2bqd h THR 11 CO 0.06 0.33 -0.34 -0.07 0.37 0.00 0.00 175.52 175.86 2bqd h LEU 12 N 1.17 0.95 -0.36 2.58 3.38 -0.91 -2.02 115.31 120.09 2bqd h LEU 12 Ca 0.27 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2bqd h LEU 12 Cb 0.19 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2bqd h LEU 12 CO -0.03 1.19 0.17 0.50 0.09 0.00 0.00 178.44 180.37 2bqd h LYS 13 N 0.75 0.53 -0.19 1.13 3.64 -0.92 -1.86 116.57 119.64 2bqd h LYS 13 Ca 0.07 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2bqd h LYS 13 Cb 0.92 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2bqd h LYS 13 CO 0.09 0.48 0.05 -0.09 -2.27 0.00 0.00 179.45 177.71 2bqd h ARG 14 N 0.45 0.27 -0.06 1.90 2.43 -1.02 -1.28 114.38 117.06 2bqd h ARG 14 Ca 0.12 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2bqd h ARG 14 Cb 0.13 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2bqd h ARG 14 CO -0.01 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 179.98 2bqd n LEU 15 N -4.43 0.59 -0.52 3.80 4.77 -0.77 -4.92 117.00 115.52 2bqd n LEU 15 Ca -0.00 -0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 55.69 2bqd n LEU 15 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2bqd n LEU 15 CO 0.36 0.13 -0.04 0.61 -1.33 0.00 0.00 177.39 177.12 2bqd n GLY 16 N 0.88 0.27 0.13 -0.72 0.00 -0.48 -4.97 105.19 100.30 2bqd n GLY 16 Ca 0.13 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.57 2bqd n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqd h MET 17 N -0.07 0.00 -6.12 1.61 2.86 -1.52 -3.41 114.93 108.28 2bqd h MET 17 Ca -0.09 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.99 2bqd h MET 17 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2bqd h MET 17 CO 0.11 0.01 1.36 0.34 1.06 0.00 0.00 176.91 179.78 2bqd s ASP 18 N -5.46 5.60 0.00 1.22 2.15 -1.26 -1.83 116.67 117.09 2bqd s ASP 18 Ca 0.00 1.24 0.00 0.00 0.43 0.00 0.00 52.55 54.22 2bqd s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2bqd s ASP 18 CO 0.78 -1.95 0.00 0.61 -0.17 0.00 0.00 175.17 174.44 2bqd n GLY 19 N 5.57 0.60 3.68 2.66 0.00 -0.35 -4.91 105.19 112.44 2bqd n GLY 19 Ca 0.25 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2bqd n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqd s TYR 20 N -2.00 2.15 -1.28 1.61 5.04 -0.76 -1.87 117.35 120.24 2bqd s TYR 20 Ca 0.00 0.17 -0.04 0.00 -2.44 0.00 0.00 57.07 54.77 2bqd s TYR 20 Cb 0.00 -3.99 0.02 0.00 0.35 0.00 0.00 41.96 38.34 2bqd s TYR 20 CO 0.00 -4.11 0.27 0.54 -1.34 0.00 0.00 175.55 170.91 2bqd n ARG 21 N 6.25 -3.06 -0.80 4.97 5.12 -1.26 -1.01 116.66 126.88 2bqd n ARG 21 Ca 0.17 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2bqd n ARG 21 Cb 0.41 -5.33 0.00 0.00 -1.16 0.00 0.00 32.46 26.38 2bqd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqd n GLY 22 N -1.07 0.76 3.50 -0.13 0.00 -0.78 -5.00 105.19 102.47 2bqd n GLY 22 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2bqd n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqd s ILE 23 N -2.88 5.20 0.86 -0.61 1.01 -0.18 -4.90 121.20 119.71 2bqd s ILE 23 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 2bqd s ILE 23 Cb 0.00 -3.89 0.11 0.00 0.01 0.00 0.00 42.46 38.69 2bqd s ILE 23 CO 0.00 -0.23 1.13 -0.94 0.00 0.00 0.00 174.94 174.90 2bqd s SER 24 N 1.74 3.46 0.17 3.58 1.04 -1.26 -1.21 113.70 121.22 2bqd s SER 24 Ca 0.09 2.09 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 2bqd s SER 24 Cb -0.18 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.45 2bqd s SER 24 CO 0.11 -2.74 1.83 0.25 0.98 0.00 0.00 173.24 173.67 2bqd h LEU 25 N -1.56 0.61 -1.91 2.42 5.85 -1.91 -2.10 115.31 116.71 2bqd h LEU 25 Ca -0.43 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.38 2bqd h LEU 25 Cb 1.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2bqd h LEU 25 CO 0.45 0.46 0.33 0.00 -0.34 0.00 0.00 178.44 179.33 2bqd h ALA 26 N 1.18 2.31 -0.03 1.25 0.00 -1.92 -0.35 119.26 121.71 2bqd h ALA 26 Ca 0.19 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2bqd h ALA 26 Cb -0.07 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2bqd h ALA 26 CO -0.04 -0.44 -0.62 -0.91 0.00 0.00 0.00 179.25 177.24 2bqd h ASN 27 N 0.10 0.60 -0.14 0.00 2.35 -1.72 -1.22 115.58 115.54 2bqd h ASN 27 Ca 0.22 -0.72 -0.04 0.00 -0.55 0.00 0.00 56.30 55.21 2bqd h ASN 27 Cb 0.76 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2bqd h ASN 27 CO -0.02 1.24 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.48 2bqd h TRP 28 N 0.01 0.40 -0.36 1.19 4.06 -1.01 -1.13 115.95 119.12 2bqd h TRP 28 Ca -0.07 -0.03 -0.16 0.00 2.06 0.00 0.00 58.89 60.69 2bqd h TRP 28 Cb 1.30 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2bqd h TRP 28 CO 0.13 0.41 -0.42 0.52 -3.56 0.00 0.00 178.44 175.53 2bqd h MET 29 N 0.38 0.91 -0.48 0.49 2.86 -1.03 -1.67 114.93 116.38 2bqd h MET 29 Ca 0.08 -0.51 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 2bqd h MET 29 Cb 0.28 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2bqd h MET 29 CO 0.01 1.15 0.20 0.00 1.06 0.00 0.00 176.91 179.33 2bqd h LEU 31 N 0.63 -0.24 -1.00 0.00 5.85 -1.14 -2.27 115.31 117.14 2bqd h LEU 31 Ca 0.16 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2bqd h LEU 31 Cb 0.19 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2bqd h LEU 31 CO -0.01 -0.15 0.65 0.00 -0.34 0.00 0.00 178.44 178.59 2bqd h ALA 32 N 0.47 1.33 0.29 1.25 0.00 -1.21 0.10 119.26 121.49 2bqd h ALA 32 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bqd h ALA 32 Cb 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2bqd h ALA 32 CO 0.05 0.53 -0.23 -0.22 0.00 0.00 0.00 179.25 179.38 2bqd h LYS 33 N 1.25 -0.50 0.00 0.00 1.63 -1.04 -1.66 116.57 116.24 2bqd h LYS 33 Ca 0.40 0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 60.08 2bqd h LYS 33 Cb 0.02 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2bqd h LYS 33 CO -0.13 -0.34 -0.73 -1.49 -3.45 0.00 0.00 179.45 173.31 2bqd h TRP 34 N -0.52 0.00 0.01 1.91 4.06 -1.11 -0.16 115.95 120.14 2bqd h TRP 34 Ca -0.02 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.66 2bqd h TRP 34 Cb 0.46 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.64 2bqd h TRP 34 CO -0.13 0.73 -1.07 0.93 -3.56 0.00 0.00 178.44 175.34 2bqd h GLU 35 N 0.00 0.69 0.00 0.49 4.39 -0.80 -3.42 114.58 115.93 2bqd h GLU 35 Ca -0.01 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.93 2bqd h GLU 35 Cb 1.40 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.27 2bqd h GLU 35 CO 0.10 1.33 -0.01 -1.13 -1.16 0.00 0.00 179.01 178.14 2bqd n SER 36 N -3.84 0.05 -0.55 1.42 3.41 -0.67 -4.81 113.62 108.63 2bqd n SER 36 Ca -0.11 -0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.43 2bqd n SER 36 Cb 0.89 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.89 2bqd n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqd n GLY 37 N 0.06 0.25 2.71 5.00 0.00 -0.07 -3.27 105.19 109.86 2bqd n GLY 37 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 2bqd n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqd n TYR 38 N -3.84 -1.48 -3.85 1.61 4.01 -1.17 -4.76 117.16 107.67 2bqd n TYR 38 Ca -0.06 0.37 -0.36 0.00 -0.16 0.00 0.00 57.90 57.69 2bqd n TYR 38 Cb 0.49 -3.77 -0.13 0.00 -0.31 0.00 0.00 39.34 35.62 2bqd n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqd s ASN 39 N -2.70 4.63 0.45 7.72 2.47 -1.20 -1.01 114.94 125.30 2bqd s ASN 39 Ca 0.21 -0.38 0.25 0.00 0.42 0.00 0.00 52.86 53.37 2bqd s ASN 39 Cb -0.09 -1.81 0.91 0.00 -1.45 0.00 0.00 41.25 38.81 2bqd s ASN 39 CO 0.26 -0.04 1.82 0.71 -3.72 0.00 0.00 177.10 176.13 2bqd h THR 40 N 5.69 0.41 -0.55 -5.21 1.35 -1.50 -3.06 112.91 110.04 2bqd h THR 40 Ca -0.39 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 2bqd h THR 40 Cb 1.16 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2bqd h THR 40 CO 0.59 0.17 0.00 -2.11 -0.25 0.00 0.00 175.52 173.93 2bqd n ARG 41 N -3.29 2.32 -1.98 4.72 1.85 -1.26 -4.00 116.66 115.01 2bqd n ARG 41 Ca 0.01 -2.05 -0.42 0.00 -1.00 0.00 0.00 57.85 54.39 2bqd n ARG 41 Cb 0.43 -1.45 -0.03 0.00 -1.05 0.00 0.00 32.46 30.36 2bqd n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqd s ALA 42 N -1.27 3.68 0.06 2.89 0.00 -1.16 -4.78 121.76 121.17 2bqd s ALA 42 Ca 0.38 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.57 2bqd s ALA 42 Cb 0.20 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2bqd s ALA 42 CO 0.27 -1.01 -0.15 0.95 0.00 0.00 0.00 175.76 175.82 2bqd s THR 43 N 2.32 1.21 -0.15 0.00 -4.23 -1.26 -0.14 115.64 113.39 2bqd s THR 43 Ca 0.71 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 60.02 2bqd s THR 43 Cb -0.39 -1.11 0.07 0.00 1.34 0.00 0.00 72.50 72.41 2bqd s THR 43 CO 0.31 -0.06 0.20 0.21 -0.54 0.00 0.00 174.62 174.75 2bqd s ASN 44 N -1.40 1.02 -0.02 3.99 2.47 -0.24 -4.96 114.94 115.81 2bqd s ASN 44 Ca 0.01 0.10 -0.28 0.00 0.42 0.00 0.00 52.86 53.11 2bqd s ASN 44 Cb -0.09 0.39 -0.03 0.00 -1.45 0.00 0.00 41.25 40.06 2bqd s ASN 44 CO 0.02 -0.28 0.88 -0.47 -3.72 0.00 0.00 177.10 173.52 2bqd s TYR 45 N 2.33 3.64 -0.64 0.43 5.04 -1.26 -0.14 117.35 126.75 2bqd s TYR 45 Ca 0.04 1.54 -0.12 0.00 -2.44 0.00 0.00 57.07 56.09 2bqd s TYR 45 Cb -0.14 -3.00 0.16 0.00 0.35 0.00 0.00 41.96 39.33 2bqd s TYR 45 CO -0.09 0.04 0.55 -0.80 -1.34 0.00 0.00 175.55 173.91 2bqd s ASN 46 N 0.89 6.18 0.28 4.32 0.01 0.44 -4.94 114.94 122.12 2bqd s ASN 46 Ca 0.46 -2.25 0.02 0.00 -0.71 0.00 0.00 52.86 50.38 2bqd s ASN 46 Cb -0.20 -2.13 0.58 0.00 0.41 0.00 0.00 41.25 39.92 2bqd s ASN 46 CO 0.24 -0.67 1.81 0.00 -1.51 0.00 0.00 177.10 176.98 2bqd h ALA 47 N 8.20 1.51 -0.93 0.60 0.00 -1.96 0.17 119.26 126.85 2bqd h ALA 47 Ca -0.11 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.93 2bqd h ALA 47 Cb 1.06 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2bqd h ALA 47 CO 0.86 0.13 0.60 0.78 0.00 0.00 0.00 179.25 181.63 2bqd h GLY 48 N 0.90 1.39 0.00 0.00 0.00 -1.95 -3.21 103.07 100.19 2bqd h GLY 48 Ca 0.51 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2bqd h GLY 48 CO -0.30 0.25 0.00 2.09 0.00 0.00 0.00 176.54 178.58 2bqd n ASP 49 N -4.53 1.27 -1.81 0.19 5.75 -1.07 -5.02 116.55 111.33 2bqd n ASP 49 Ca 0.15 -1.45 -0.16 0.00 -0.01 0.00 0.00 54.79 53.32 2bqd n ASP 49 Cb 0.27 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.35 2bqd n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqd n ARG 50 N -0.23 -1.28 -4.04 0.11 1.74 0.57 -4.75 116.66 108.78 2bqd n ARG 50 Ca 0.00 0.80 -0.23 0.00 -0.77 0.00 0.00 57.85 57.65 2bqd n ARG 50 Cb 0.18 -5.19 -0.06 0.00 -1.02 0.00 0.00 32.46 26.38 2bqd n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqd s SER 51 N -2.30 4.77 0.01 0.55 1.04 -1.17 -4.47 113.70 112.12 2bqd s SER 51 Ca 0.00 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.71 2bqd s SER 51 Cb 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 2bqd s SER 51 CO 0.00 -0.34 -0.10 -0.89 0.98 0.00 0.00 173.24 172.90 2bqd s THR 52 N -2.42 0.75 -0.16 2.02 2.01 -1.26 -0.42 115.64 116.15 2bqd s THR 52 Ca 0.39 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 2bqd s THR 52 Cb -0.03 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 2bqd s THR 52 CO 0.23 0.08 0.20 -1.81 -0.69 0.00 0.00 174.62 172.63 2bqd s ASP 53 N -0.58 6.34 -0.04 3.53 1.01 0.81 -1.51 116.67 126.22 2bqd s ASP 53 Ca 0.01 0.39 0.07 0.00 0.71 0.00 0.00 52.55 53.73 2bqd s ASP 53 Cb -0.05 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2bqd s ASP 53 CO 0.00 0.20 -0.25 -0.31 0.21 0.00 0.00 175.17 175.02 2bqd s TYR 54 N 0.11 2.40 0.00 4.23 2.02 -0.11 -1.07 117.35 124.92 2bqd s TYR 54 Ca 0.13 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2bqd s TYR 54 Cb -0.12 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 2bqd s TYR 54 CO 0.02 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.29 2bqd n GLY 55 N 2.67 -1.40 0.34 0.71 0.00 0.80 -1.31 105.19 107.00 2bqd n GLY 55 Ca -0.17 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.65 2bqd n GLY 55 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bqd h VAL 56 N 0.00 1.06 -0.35 1.61 3.04 -1.69 -1.81 116.25 118.11 2bqd h VAL 56 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2bqd h VAL 56 Cb 0.00 0.28 0.00 0.00 -2.01 0.00 0.00 31.29 29.56 2bqd h VAL 56 CO 0.00 0.13 0.00 0.49 -1.01 0.00 0.00 177.57 177.18 2bqd n PHE 57 N -4.47 0.45 -3.54 3.17 3.72 -1.26 -4.04 117.46 111.50 2bqd n PHE 57 Ca 0.08 -0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 57.04 2bqd n PHE 57 Cb 0.17 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 2bqd n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqd n GLN 58 N 1.38 -1.35 -2.85 -1.08 1.13 -0.68 -4.92 117.38 109.02 2bqd n GLN 58 Ca 0.18 0.88 -0.41 0.00 -1.94 0.00 0.00 57.00 55.71 2bqd n GLN 58 Cb 0.58 -3.90 -0.04 0.00 0.11 0.00 0.00 30.24 26.99 2bqd n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqd s ILE 59 N -3.14 4.94 0.02 5.09 -1.09 -0.43 -4.52 121.20 122.08 2bqd s ILE 59 Ca 0.15 1.80 -0.30 0.00 -2.23 0.00 0.00 60.65 60.07 2bqd s ILE 59 Cb -0.06 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2bqd s ILE 59 CO 0.84 0.20 1.01 0.21 -1.23 0.00 0.00 174.94 175.97 2bqd s ASN 60 N 0.92 7.34 0.04 3.58 3.84 -1.26 -0.93 114.94 128.46 2bqd s ASN 60 Ca 0.46 1.73 0.12 0.00 0.21 0.00 0.00 52.86 55.38 2bqd s ASN 60 Cb -0.20 -2.57 0.51 0.00 -0.55 0.00 0.00 41.25 38.44 2bqd s ASN 60 CO 0.24 -0.27 1.37 -1.54 -2.79 0.00 0.00 177.10 174.11 2bqd n SER 61 N 3.76 0.08 -0.03 -4.21 3.41 -0.57 -2.03 113.62 114.03 2bqd n SER 61 Ca 0.06 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 59.05 2bqd n SER 61 Cb 0.50 -0.54 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 2bqd n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqd h ARG 62 N 0.00 0.14 0.00 4.33 2.43 -1.85 -3.40 114.38 116.03 2bqd h ARG 62 Ca 0.00 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 2bqd h ARG 62 Cb 0.19 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2bqd h ARG 62 CO 0.00 0.81 -1.50 0.66 -1.51 0.00 0.00 179.97 178.42 2bqd n TYR 63 N -4.60 0.00 -0.08 2.20 4.01 -1.20 -0.06 117.16 117.42 2bqd n TYR 63 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 2bqd n TYR 63 Cb 0.42 -0.33 -0.12 0.00 -0.31 0.00 0.00 39.34 39.01 2bqd n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqd n TRP 64 N -2.10 0.00 -4.14 -0.72 7.02 -0.86 0.56 117.44 117.20 2bqd n TRP 64 Ca -0.09 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.28 2bqd n TRP 64 Cb 0.55 -0.80 -0.10 0.00 -2.42 0.00 0.00 31.31 28.53 2bqd n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqd s ASN 66 N -2.65 5.66 0.00 0.00 2.47 -0.24 -4.40 114.94 115.79 2bqd s ASN 66 Ca 0.06 -0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.33 2bqd s ASN 66 Cb 0.01 -2.01 0.00 0.00 -1.45 0.00 0.00 41.25 37.80 2bqd s ASN 66 CO -0.04 0.05 0.71 -0.90 -3.72 0.00 0.00 177.10 173.21 2bqd n ASP 67 N 4.37 1.33 0.00 -4.21 5.75 -1.26 -1.52 116.55 121.01 2bqd n ASP 67 Ca -0.16 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.13 2bqd n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 2bqd n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqd n GLY 68 N -0.25 1.70 0.75 6.12 0.00 -1.26 -4.69 105.19 107.56 2bqd n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2bqd n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqd n LYS 69 N -0.85 1.75 -3.01 1.61 2.85 -1.26 -4.94 118.16 114.30 2bqd n LYS 69 Ca 0.00 -1.58 -0.41 0.00 -1.05 0.00 0.00 58.31 55.26 2bqd n LYS 69 Cb 0.00 -1.38 -0.05 0.00 -0.65 0.00 0.00 35.03 32.94 2bqd n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqd s THR 70 N -1.75 4.89 0.60 0.58 2.01 -1.26 -4.99 115.64 115.72 2bqd s THR 70 Ca 0.22 1.20 -0.18 0.00 0.31 0.00 0.00 61.69 63.24 2bqd s THR 70 Cb 0.17 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2bqd s THR 70 CO 0.28 -0.10 1.16 -2.84 -0.69 0.00 0.00 174.62 172.43 2bqd s PRO 71 N 2.73 3.01 -1.28 4.92 0.02 -1.26 -3.41 135.00 139.72 2bqd s PRO 71 Ca 0.30 1.66 -0.07 0.00 0.02 0.00 0.00 61.00 62.90 2bqd s PRO 71 Cb -0.15 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.47 2bqd s PRO 71 CO 0.10 -1.13 0.43 0.41 -0.33 0.00 0.00 177.00 176.48 2bqd n GLY 72 N 0.17 -0.49 3.94 0.52 0.00 -1.26 -4.95 105.19 103.12 2bqd n GLY 72 Ca 0.12 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2bqd n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqd s ALA 73 N -2.92 3.98 0.24 4.61 0.00 -1.22 -4.96 121.76 121.50 2bqd s ALA 73 Ca 0.33 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.87 2bqd s ALA 73 Cb -0.17 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 2bqd s ALA 73 CO 0.40 0.12 0.28 0.08 0.00 0.00 0.00 175.76 176.64 2bqd s VAL 74 N -2.11 0.00 -0.47 0.00 1.01 0.91 -5.03 120.40 114.71 2bqd s VAL 74 Ca 0.38 -1.81 0.04 0.00 0.00 0.00 0.00 61.98 60.60 2bqd s VAL 74 Cb -0.09 -2.44 0.12 0.00 0.00 0.00 0.00 36.38 33.97 2bqd s VAL 74 CO 0.29 0.00 0.21 0.21 0.00 0.00 0.00 175.10 175.81 2bqd s ASN 75 N -3.16 4.40 0.03 3.32 3.84 -1.26 -4.00 114.94 118.11 2bqd s ASN 75 Ca 0.34 -2.79 -0.18 0.00 0.21 0.00 0.00 52.86 50.44 2bqd s ASN 75 Cb 0.04 -1.61 -0.20 0.00 -0.55 0.00 0.00 41.25 38.92 2bqd s ASN 75 CO 0.14 -0.27 1.18 0.00 -2.79 0.00 0.00 177.10 175.36 2bqd h ALA 76 N 6.78 0.15 0.00 1.71 0.00 -0.05 -3.19 119.26 124.66 2bqd h ALA 76 Ca -0.07 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 2bqd h ALA 76 Cb 0.92 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2bqd h ALA 76 CO 0.64 0.38 -0.42 0.00 0.00 0.00 0.00 179.25 179.86 2bqd h ALA 77 N 0.41 0.74 -0.27 0.00 0.00 -1.69 -3.48 119.26 114.98 2bqd h ALA 77 Ca -0.05 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2bqd h ALA 77 Cb 1.23 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2bqd h ALA 77 CO 0.11 0.52 -0.11 0.72 0.00 0.00 0.00 179.25 180.50 2bqd n HIS 78 N -3.22 0.00 -3.50 0.00 -0.00 -1.21 -5.04 115.22 102.26 2bqd n HIS 78 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.51 2bqd n HIS 78 Cb 0.69 -1.31 -0.01 0.00 -0.00 0.00 0.00 29.99 29.36 2bqd n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqd s LEU 79 N -1.29 4.05 0.15 2.41 1.43 -1.26 -4.96 118.68 119.22 2bqd s LEU 79 Ca 0.00 0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 2bqd s LEU 79 Cb 0.00 -3.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 2bqd s LEU 79 CO 0.00 -0.28 0.67 -0.55 0.23 0.00 0.00 176.35 176.42 2bqd s SER 80 N -4.05 7.14 0.61 2.29 0.15 -1.26 -1.08 113.70 117.50 2bqd s SER 80 Ca 0.40 1.40 0.38 0.00 0.70 0.00 0.00 55.95 58.83 2bqd s SER 80 Cb -0.09 -2.41 2.00 0.00 -1.71 0.00 0.00 66.02 63.80 2bqd s SER 80 CO 0.34 0.17 2.24 0.00 1.20 0.00 0.00 173.24 177.19 2bqd h SER 82 N 0.00 1.08 -0.10 0.00 0.87 -1.92 -1.98 113.55 111.50 2bqd h SER 82 Ca -0.00 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2bqd h SER 82 Cb 0.15 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2bqd h SER 82 CO 0.00 0.76 0.10 0.00 -0.53 0.00 0.00 176.83 177.16 2bqd h ALA 83 N 1.42 1.77 -0.25 6.23 0.00 -1.71 -0.96 119.26 125.76 2bqd h ALA 83 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2bqd h ALA 83 Cb -0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bqd h ALA 83 CO -0.10 -0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.27 2bqd n LEU 84 N -3.97 1.32 -0.23 0.00 4.77 -0.74 -3.41 117.00 114.73 2bqd n LEU 84 Ca -0.00 -0.66 0.03 0.00 -0.03 0.00 0.00 56.01 55.35 2bqd n LEU 84 Cb 0.21 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2bqd n LEU 84 CO 0.29 0.33 0.37 0.18 -1.33 0.00 0.00 177.39 177.23 2bqd n LEU 85 N 0.22 1.60 -4.78 2.23 4.77 -0.36 -3.36 117.00 117.31 2bqd n LEU 85 Ca 0.08 -1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 54.61 2bqd n LEU 85 Cb 0.21 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.37 2bqd n LEU 85 CO 0.06 0.35 0.70 -1.10 -1.33 0.00 0.00 177.39 176.07 2bqd s GLN 86 N -0.53 2.22 0.26 3.23 -0.21 -1.22 -4.41 119.66 118.99 2bqd s GLN 86 Ca 0.07 0.94 0.09 0.00 0.02 0.00 0.00 55.36 56.48 2bqd s GLN 86 Cb 0.05 -1.91 0.31 0.00 1.00 0.00 0.00 33.01 32.46 2bqd s GLN 86 CO 0.07 -1.61 1.59 -0.44 -2.12 0.00 0.00 175.29 172.78 2bqd h ASP 87 N -1.09 0.04 -3.50 5.90 3.32 -1.93 -3.41 116.42 115.76 2bqd h ASP 87 Ca -0.45 -0.03 -0.60 0.00 0.02 0.00 0.00 57.03 55.97 2bqd h ASP 87 Cb 1.24 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 2bqd h ASP 87 CO 0.55 0.67 0.52 0.21 -1.72 0.00 0.00 179.24 179.46 2bqd s ASN 88 N -6.85 6.64 -0.03 6.45 3.84 -1.26 -4.94 114.94 118.78 2bqd s ASN 88 Ca -0.02 0.51 0.04 0.00 0.21 0.00 0.00 52.86 53.61 2bqd s ASN 88 Cb 0.12 -2.44 0.17 0.00 -0.55 0.00 0.00 41.25 38.56 2bqd s ASN 88 CO 0.77 -0.80 0.96 2.30 -2.79 0.00 0.00 177.10 177.54 2bqd n ILE 89 N 5.89 0.43 -0.15 -5.21 -5.35 -1.26 -4.36 119.36 109.35 2bqd n ILE 89 Ca 0.06 -0.28 -0.06 0.00 -0.27 0.00 0.00 62.75 62.20 2bqd n ILE 89 Cb 0.48 -0.16 0.03 0.00 -1.74 0.00 0.00 39.64 38.25 2bqd n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqd h ALA 90 N 2.90 0.59 -0.36 -1.28 0.00 -1.95 -0.23 119.26 118.94 2bqd h ALA 90 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2bqd h ALA 90 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2bqd h ALA 90 CO 0.06 -0.07 -0.22 -0.44 0.00 0.00 0.00 179.25 178.58 2bqd h ASP 91 N 0.52 0.81 -0.59 0.00 3.32 -1.88 -1.30 116.42 117.30 2bqd h ASP 91 Ca 0.20 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.83 2bqd h ASP 91 Cb 0.06 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2bqd h ASP 91 CO -0.11 1.06 0.39 0.00 -1.72 0.00 0.00 179.24 178.86 2bqd h ALA 92 N 0.78 1.59 -0.35 3.45 0.00 -1.75 0.20 119.26 123.18 2bqd h ALA 92 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2bqd h ALA 92 Cb 0.77 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2bqd h ALA 92 CO 0.06 0.37 -0.39 0.28 0.00 0.00 0.00 179.25 179.57 2bqd h VAL 93 N 0.78 1.28 -0.47 0.00 2.07 -0.82 -0.90 116.25 118.20 2bqd h VAL 93 Ca 0.22 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 2bqd h VAL 93 Cb -0.07 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2bqd h VAL 93 CO -0.05 0.52 0.23 0.00 0.02 0.00 0.00 177.57 178.29 2bqd h ALA 94 N 0.85 0.60 -0.09 1.67 0.00 -0.18 -1.82 119.26 120.29 2bqd h ALA 94 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bqd h ALA 94 Cb 0.97 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2bqd h ALA 94 CO 0.09 0.16 0.05 0.00 0.00 0.00 0.00 179.25 179.55 2bqd h ALA 95 N 1.08 0.11 -0.27 0.00 0.00 -0.86 -2.36 119.26 116.97 2bqd h ALA 95 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2bqd h ALA 95 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2bqd h ALA 95 CO -0.02 -0.34 0.18 0.00 0.00 0.00 0.00 179.25 179.06 2bqd h ALA 96 N 0.95 1.82 -0.25 0.00 0.00 -1.08 -1.41 119.26 119.29 2bqd h ALA 96 Ca 0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2bqd h ALA 96 Cb 0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bqd h ALA 96 CO -0.00 0.17 -0.34 0.87 0.00 0.00 0.00 179.25 179.94 2bqd h LYS 97 N 0.36 0.67 -0.78 0.00 1.57 -1.12 -2.99 116.57 114.27 2bqd h LYS 97 Ca 0.10 -0.39 0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2bqd h LYS 97 Cb -0.04 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2bqd h LYS 97 CO -0.02 1.00 0.51 -0.09 -0.57 0.00 0.00 179.45 180.29 2bqd h ARG 98 N 0.38 1.03 -0.24 3.15 9.65 -0.86 -2.56 114.38 124.94 2bqd h ARG 98 Ca 0.03 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2bqd h ARG 98 Cb 0.93 -0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.25 2bqd h ARG 98 CO 0.08 0.69 0.09 0.28 2.80 0.00 0.00 179.97 183.91 2bqd h VAL 99 N 1.06 0.95 0.00 0.20 2.07 -1.27 -2.41 116.25 116.85 2bqd h VAL 99 Ca 0.29 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2bqd h VAL 99 Cb -0.12 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2bqd h VAL 99 CO -0.06 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.90 2bqd n VAL 100 N -5.03 0.39 0.71 2.57 0.24 -1.12 -2.22 118.33 113.87 2bqd n VAL 100 Ca -0.02 0.10 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 2bqd n VAL 100 Cb 0.08 -0.75 0.45 0.00 -1.47 0.00 0.00 33.84 32.15 2bqd n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2bqd n ARG 101 N -1.32 0.03 -2.59 7.34 0.63 -0.91 -4.19 116.66 115.65 2bqd n ARG 101 Ca 0.09 0.16 -0.31 0.00 -0.92 0.00 0.00 57.85 56.87 2bqd n ARG 101 Cb 0.18 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 31.52 2bqd n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bqd s ASP 102 N -3.16 6.54 0.54 6.15 1.11 -0.94 -4.97 116.67 121.94 2bqd s ASP 102 Ca 0.10 1.33 0.31 0.00 0.18 0.00 0.00 52.55 54.47 2bqd s ASP 102 Cb 0.14 -2.41 1.48 0.00 1.07 0.00 0.00 42.92 43.20 2bqd s ASP 102 CO 0.40 -0.52 1.88 1.55 1.18 0.00 0.00 175.17 179.67 2bqd h PRO 103 N 0.98 0.00 0.00 8.23 0.13 -1.88 -1.49 132.00 137.96 2bqd h PRO 103 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2bqd h PRO 103 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2bqd h PRO 103 CO 0.63 0.00 -0.18 0.37 -0.23 0.00 0.00 178.00 178.59 2bqd h GLN 104 N 0.00 0.00 0.00 0.86 4.15 -1.90 -3.48 115.11 114.74 2bqd h GLN 104 Ca 0.41 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.83 2bqd h GLN 104 Cb 1.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.37 2bqd h GLN 104 CO -0.00 0.18 0.00 0.41 -1.93 0.00 0.00 178.83 177.49 2bqd n GLY 105 N -0.13 2.45 0.30 2.39 0.00 -0.56 -2.18 105.19 107.46 2bqd n GLY 105 Ca -0.00 -0.48 0.20 0.00 0.00 0.00 0.00 46.02 45.73 2bqd n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqd h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.65 117.51 118.43 2bqd h ILE 106 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 2bqd h ILE 106 Cb 0.00 1.20 0.00 0.00 0.47 0.00 0.00 36.82 38.49 2bqd h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2bqd n ARG 107 N -3.02 0.08 0.30 2.19 1.74 -0.92 -2.75 116.66 114.28 2bqd n ARG 107 Ca -0.01 0.25 0.18 0.00 -0.77 0.00 0.00 57.85 57.49 2bqd n ARG 107 Cb 0.18 -1.50 0.95 0.00 -1.02 0.00 0.00 32.46 31.07 2bqd n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqd h ALA 108 N 2.47 1.21 -2.59 7.54 0.00 -1.62 -3.37 119.26 122.89 2bqd h ALA 108 Ca 0.00 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.18 2bqd h ALA 108 Cb 0.16 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.74 2bqd h ALA 108 CO 0.00 0.04 -0.45 -1.58 0.00 0.00 0.00 179.25 177.26 2bqd s TRP 109 N -4.23 3.24 0.36 0.00 0.51 -1.11 -4.95 118.94 112.75 2bqd s TRP 109 Ca -0.04 -0.50 0.06 0.00 -2.12 0.00 0.00 56.10 53.51 2bqd s TRP 109 Cb 0.13 -2.54 0.75 0.00 -0.81 0.00 0.00 33.47 31.00 2bqd s TRP 109 CO 0.51 -0.52 1.94 0.28 -0.51 0.00 0.00 176.95 178.65 2bqd h VAL 110 N 5.60 0.99 -0.24 4.03 2.07 -1.89 -0.72 116.25 126.10 2bqd h VAL 110 Ca -0.28 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.02 2bqd h VAL 110 Cb 1.13 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2bqd h VAL 110 CO 0.69 0.14 0.16 0.00 0.02 0.00 0.00 177.57 178.58 2bqd h ALA 111 N 1.60 2.05 -0.53 1.67 0.00 -1.94 -0.92 119.26 121.20 2bqd h ALA 111 Ca 0.34 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2bqd h ALA 111 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2bqd h ALA 111 CO -0.12 -0.09 0.10 2.35 0.00 0.00 0.00 179.25 181.48 2bqd h TRP 112 N 0.14 0.92 -0.69 0.00 7.01 -1.45 -0.77 115.95 121.12 2bqd h TRP 112 Ca 0.10 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 2bqd h TRP 112 Cb 0.24 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.02 2bqd h TRP 112 CO -0.00 0.82 0.23 0.00 -2.79 0.00 0.00 178.44 176.70 2bqd h ARG 113 N 0.76 1.06 -0.08 2.65 -0.00 -1.18 0.64 114.38 118.23 2bqd h ARG 113 Ca 0.16 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.98 59.39 2bqd h ARG 113 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 29.97 30.20 2bqd h ARG 113 CO 0.01 0.91 -0.06 -0.91 0.00 0.00 0.00 179.97 179.92 2bqd h ASN 114 N 1.00 0.19 -0.01 7.04 2.35 -1.25 -3.38 115.58 121.52 2bqd h ASN 114 Ca 0.22 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2bqd h ASN 114 Cb 0.28 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2bqd h ASN 114 CO -0.01 0.61 0.00 -2.11 -1.65 0.00 0.00 177.43 174.27 2bqd n ARG 115 N -4.72 -0.12 0.01 0.81 0.00 -0.31 -4.86 116.66 107.47 2bqd n ARG 115 Ca -0.07 -0.87 0.00 0.00 -0.00 0.00 0.00 57.85 56.91 2bqd n ARG 115 Cb 0.29 -1.11 0.00 0.00 -0.00 0.00 0.00 32.46 31.64 2bqd n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqd n GLN 117 N -3.03 1.27 -2.47 0.00 7.27 -0.06 -1.92 117.38 118.44 2bqd n GLN 117 Ca 0.00 0.46 -0.20 0.00 0.07 0.00 0.00 57.00 57.32 2bqd n GLN 117 Cb 0.38 -2.12 -0.00 0.00 2.41 0.00 0.00 30.24 30.91 2bqd n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqd n ASN 118 N 2.78 -5.81 -4.60 1.69 5.03 -1.26 -4.96 115.26 108.12 2bqd n ASN 118 Ca 0.19 -0.03 -0.29 0.00 0.87 0.00 0.00 54.58 55.32 2bqd n ASN 118 Cb 0.20 -4.82 -0.10 0.00 -1.02 0.00 0.00 39.78 34.04 2bqd n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqd s ARG 119 N -5.12 2.00 -0.51 3.52 0.52 -0.81 -5.09 118.95 113.46 2bqd s ARG 119 Ca 0.03 -2.19 -0.25 0.00 -0.52 0.00 0.00 55.73 52.80 2bqd s ARG 119 Cb -0.02 -1.41 0.03 0.00 0.52 0.00 0.00 34.95 34.08 2bqd s ARG 119 CO 0.04 -0.21 0.95 0.34 0.02 0.00 0.00 175.30 176.44 2bqd s ASP 120 N -3.73 6.42 0.00 0.23 2.15 -1.26 -4.89 116.67 115.59 2bqd s ASP 120 Ca 0.24 -0.09 0.23 0.00 0.43 0.00 0.00 52.55 53.36 2bqd s ASP 120 Cb 0.06 -2.45 0.19 0.00 -0.30 0.00 0.00 42.92 40.42 2bqd s ASP 120 CO 0.12 -1.16 1.24 1.33 -0.17 0.00 0.00 175.17 176.53 2bqd n VAL 121 N 6.34 0.02 -0.35 1.11 0.24 -1.26 -4.56 118.33 119.86 2bqd n VAL 121 Ca 0.04 -0.51 0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2bqd n VAL 121 Cb 0.48 1.47 0.36 0.00 -1.47 0.00 0.00 33.84 34.67 2bqd n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqd h ARG 122 N 4.54 0.66 -0.19 7.34 3.08 -1.91 -1.25 114.38 126.65 2bqd h ARG 122 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2bqd h ARG 122 Cb 0.97 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2bqd h ARG 122 CO 0.00 0.43 0.35 -0.56 -1.07 0.00 0.00 179.97 179.12 2bqd h GLN 123 N 0.68 0.00 0.00 0.04 3.07 -1.96 -1.63 115.11 115.30 2bqd h GLN 123 Ca 0.61 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.30 2bqd h GLN 123 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.61 2bqd h GLN 123 CO -0.42 0.00 -0.20 1.88 0.09 0.00 0.00 178.83 180.18 2bqd h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.55 -3.28 116.97 112.24 2bqd h TYR 124 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2bqd h TYR 124 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 2bqd h TYR 124 CO 0.00 0.20 -0.01 1.33 -1.05 0.00 0.00 178.16 178.63 2bqd n VAL 125 N -3.25 0.90 -2.29 -2.88 0.24 -0.69 -4.83 118.33 105.53 2bqd n VAL 125 Ca 0.01 -0.94 -0.42 0.00 -2.04 0.00 0.00 64.34 60.95 2bqd n VAL 125 Cb 0.50 0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 33.35 2bqd n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqd s GLN 126 N -1.01 4.31 0.00 7.34 2.00 -0.76 -2.75 119.66 128.80 2bqd s GLN 126 Ca 0.04 1.89 0.00 0.00 -2.00 0.00 0.00 55.36 55.28 2bqd s GLN 126 Cb 0.03 -3.53 0.00 0.00 0.80 0.00 0.00 33.01 30.31 2bqd s GLN 126 CO 0.00 -0.51 0.00 0.41 -0.50 0.00 0.00 175.29 174.70 2bqd n GLY 127 N 3.53 0.71 0.01 2.59 0.00 -1.26 -4.95 105.19 105.82 2bqd n GLY 127 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.26 2bqd n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqd n GLY 129 N 1.49 0.32 0.00 0.00 0.00 -1.26 -4.85 105.19 100.89 2bqd n GLY 129 Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2bqd n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65