#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqn s VAL 2 N 0.00 4.79 0.52 3.15 1.01 -1.26 -1.23 120.40 127.38 2bqn s VAL 2 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 2bqn s VAL 2 Cb 0.00 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 2bqn s VAL 2 CO 0.00 -0.41 1.13 -0.36 0.00 0.00 0.00 175.10 175.46 2bqn s PHE 3 N 1.57 2.74 0.29 5.22 0.40 0.09 -5.00 117.98 123.30 2bqn s PHE 3 Ca 0.03 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.77 2bqn s PHE 3 Cb -0.21 -3.29 -0.08 0.00 0.51 0.00 0.00 43.02 39.94 2bqn s PHE 3 CO 0.06 -1.50 0.69 -1.21 0.70 0.00 0.00 175.22 173.96 2bqn s GLU 4 N -3.15 3.95 0.09 0.44 2.02 -1.26 -4.87 118.70 115.93 2bqn s GLU 4 Ca 0.70 0.57 -0.22 0.00 0.02 0.00 0.00 54.97 56.04 2bqn s GLU 4 Cb -0.24 -2.50 -0.07 0.00 0.10 0.00 0.00 34.13 31.42 2bqn s GLU 4 CO 0.28 0.21 1.37 -0.09 0.02 0.00 0.00 175.26 177.05 2bqn h ARG 5 N 2.36 -0.20 -0.15 1.61 2.43 -1.96 -1.15 114.38 117.32 2bqn h ARG 5 Ca -0.48 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 2bqn h ARG 5 Cb 1.17 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2bqn h ARG 5 CO 0.66 -0.13 -0.24 0.00 -1.51 0.00 0.00 179.97 178.75 2bqn h GLU 7 N 0.25 0.77 -0.43 0.00 4.81 -1.84 -2.05 114.58 116.09 2bqn h GLU 7 Ca 0.04 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2bqn h GLU 7 Cb 0.57 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2bqn h GLU 7 CO 0.04 0.51 -0.11 1.25 -0.73 0.00 0.00 179.01 179.98 2bqn h LEU 8 N 0.80 0.84 -0.41 1.64 5.85 -0.81 -2.60 115.31 120.62 2bqn h LEU 8 Ca 0.21 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2bqn h LEU 8 Cb -0.09 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.65 2bqn h LEU 8 CO -0.05 1.01 0.04 0.00 -0.34 0.00 0.00 178.44 179.10 2bqn h ALA 9 N 0.86 0.41 -0.56 1.25 0.00 -0.82 -0.06 119.26 120.34 2bqn h ALA 9 Ca 0.11 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2bqn h ALA 9 Cb 0.64 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2bqn h ALA 9 CO 0.04 -0.36 -0.06 0.00 0.00 0.00 0.00 179.25 178.87 2bqn h ARG 10 N 0.16 1.02 -0.42 0.00 3.08 -1.37 -1.79 114.38 115.06 2bqn h ARG 10 Ca 0.20 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2bqn h ARG 10 Cb 0.27 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2bqn h ARG 10 CO -0.30 1.04 0.25 1.15 -1.07 0.00 0.00 179.97 181.04 2bqn h THR 11 N 0.92 1.14 -0.43 2.04 2.02 -1.00 -0.89 112.91 116.72 2bqn h THR 11 Ca 0.15 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.94 2bqn h THR 11 Cb 0.62 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2bqn h THR 11 CO 0.04 0.14 -0.05 -0.07 0.37 0.00 0.00 175.52 175.95 2bqn h LEU 12 N 0.56 0.69 -0.33 2.58 3.38 -0.85 -2.05 115.31 119.29 2bqn h LEU 12 Ca 0.15 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2bqn h LEU 12 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2bqn h LEU 12 CO -0.03 0.79 0.11 0.50 0.09 0.00 0.00 178.44 179.90 2bqn h LYS 13 N 0.67 0.51 0.00 1.13 3.64 -0.93 -2.06 116.57 119.53 2bqn h LYS 13 Ca 0.13 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2bqn h LYS 13 Cb 0.48 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2bqn h LYS 13 CO 0.02 0.54 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.60 2bqn h ARG 14 N 0.38 0.00 -0.07 1.90 2.43 -0.86 -1.50 114.38 116.66 2bqn h ARG 14 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2bqn h ARG 14 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2bqn h ARG 14 CO -0.00 0.05 0.00 1.28 -1.51 0.00 0.00 179.97 179.79 2bqn n LEU 15 N -4.21 0.81 -0.33 3.80 4.77 -0.80 -4.91 117.00 116.14 2bqn n LEU 15 Ca -0.03 -0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 55.59 2bqn n LEU 15 Cb 0.14 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2bqn n LEU 15 CO 0.32 0.16 -0.04 0.61 -1.33 0.00 0.00 177.39 177.12 2bqn n GLY 16 N 0.98 0.42 0.09 -0.72 0.00 -0.56 -4.95 105.19 100.45 2bqn n GLY 16 Ca 0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2bqn n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2bqn h MET 17 N 0.00 0.00 -6.12 1.61 2.86 -1.56 -3.40 114.93 108.32 2bqn h MET 17 Ca -0.08 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.98 2bqn h MET 17 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2bqn h MET 17 CO 0.10 0.70 1.39 0.34 1.06 0.00 0.00 176.91 180.50 2bqn s ASP 18 N -6.47 5.69 0.00 1.22 2.15 -1.26 -1.84 116.67 116.15 2bqn s ASP 18 Ca 0.01 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.69 2bqn s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2bqn s ASP 18 CO 0.79 -1.81 0.00 0.61 -0.17 0.00 0.00 175.17 174.59 2bqn n GLY 19 N 5.55 0.59 3.67 2.66 0.00 0.97 -4.90 105.19 113.73 2bqn n GLY 19 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2bqn n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqn s TYR 20 N -2.18 1.92 -1.39 1.61 5.04 -0.77 -1.99 117.35 119.60 2bqn s TYR 20 Ca 0.00 0.08 -0.07 0.00 -2.44 0.00 0.00 57.07 54.65 2bqn s TYR 20 Cb 0.00 -3.99 0.04 0.00 0.35 0.00 0.00 41.96 38.36 2bqn s TYR 20 CO 0.00 -4.21 0.49 0.54 -1.34 0.00 0.00 175.55 171.03 2bqn n ARG 21 N 6.91 -3.90 -0.90 4.97 5.12 -1.26 -1.25 116.66 126.35 2bqn n ARG 21 Ca 0.17 0.67 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2bqn n ARG 21 Cb 0.42 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.28 2bqn n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqn n GLY 22 N -1.29 0.68 3.57 -0.13 0.00 -0.84 -4.99 105.19 102.18 2bqn n GLY 22 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2bqn n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqn s ILE 23 N -2.56 5.28 0.70 -0.61 1.01 -0.38 -4.90 121.20 119.74 2bqn s ILE 23 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2bqn s ILE 23 Cb 0.00 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.86 2bqn s ILE 23 CO 0.00 0.13 1.10 -0.94 0.00 0.00 0.00 174.94 175.23 2bqn s SER 24 N 1.74 4.91 0.21 3.58 1.04 -1.26 -0.02 113.70 123.89 2bqn s SER 24 Ca 0.08 1.93 -0.10 0.00 0.48 0.00 0.00 55.95 58.33 2bqn s SER 24 Cb -0.16 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.60 2bqn s SER 24 CO 0.11 -1.76 1.85 0.25 0.98 0.00 0.00 173.24 174.67 2bqn h LEU 25 N -0.39 0.73 -1.86 2.42 5.85 -1.91 -1.48 115.31 118.68 2bqn h LEU 25 Ca -0.46 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.36 2bqn h LEU 25 Cb 1.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2bqn h LEU 25 CO 0.53 0.51 0.31 0.00 -0.34 0.00 0.00 178.44 179.45 2bqn h ALA 26 N 1.29 2.22 -0.06 1.25 0.00 -1.92 0.13 119.26 122.17 2bqn h ALA 26 Ca 0.28 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.99 2bqn h ALA 26 Cb 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2bqn h ALA 26 CO -0.10 -0.33 -0.68 -0.91 0.00 0.00 0.00 179.25 177.23 2bqn h ASN 27 N 0.15 0.71 -0.00 0.00 2.35 -1.60 -0.75 115.58 116.43 2bqn h ASN 27 Ca 0.21 -0.69 -0.05 0.00 -0.55 0.00 0.00 56.30 55.22 2bqn h ASN 27 Cb 0.63 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2bqn h ASN 27 CO -0.03 1.29 -0.13 -0.50 -1.65 0.00 0.00 177.43 176.42 2bqn h TRP 28 N 0.18 0.29 -0.32 1.19 4.06 -0.84 -0.69 115.95 119.83 2bqn h TRP 28 Ca -0.07 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.72 2bqn h TRP 28 Cb 1.34 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 29.41 2bqn h TRP 28 CO 0.12 0.41 -0.29 0.52 -3.56 0.00 0.00 178.44 175.63 2bqn h MET 29 N 0.26 0.76 -0.68 0.49 2.86 -0.67 -1.27 114.93 116.68 2bqn h MET 29 Ca 0.05 -0.39 -0.05 0.00 -2.06 0.00 0.00 59.70 57.25 2bqn h MET 29 Cb 0.39 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 2bqn h MET 29 CO 0.02 1.01 0.22 0.00 1.06 0.00 0.00 176.91 179.22 2bqn h LEU 31 N 1.00 -0.12 -1.19 0.00 5.85 -1.05 -2.39 115.31 117.41 2bqn h LEU 31 Ca 0.22 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2bqn h LEU 31 Cb 0.30 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2bqn h LEU 31 CO -0.01 0.02 0.55 0.00 -0.34 0.00 0.00 178.44 178.67 2bqn h ALA 32 N 0.63 1.44 0.02 1.25 0.00 -1.02 0.11 119.26 121.69 2bqn h ALA 32 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2bqn h ALA 32 Cb 0.21 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2bqn h ALA 32 CO 0.02 0.50 -0.01 -0.22 0.00 0.00 0.00 179.25 179.54 2bqn h LYS 33 N 1.09 -0.03 0.00 0.00 1.63 -1.02 -1.49 116.57 116.75 2bqn h LYS 33 Ca 0.32 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.03 2bqn h LYS 33 Cb -0.06 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 2bqn h LYS 33 CO -0.08 0.01 -0.59 -1.49 -3.45 0.00 0.00 179.45 173.84 2bqn h TRP 34 N -0.06 0.00 0.24 1.91 4.06 -1.14 -0.11 115.95 120.86 2bqn h TRP 34 Ca -0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.63 2bqn h TRP 34 Cb 0.05 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.25 2bqn h TRP 34 CO -0.07 0.37 -1.38 0.93 -3.56 0.00 0.00 178.44 174.73 2bqn h GLU 35 N 0.00 0.51 0.00 0.49 4.39 -0.75 -3.42 114.58 115.79 2bqn h GLU 35 Ca -0.03 -0.86 0.00 0.00 0.34 0.00 0.00 59.36 58.81 2bqn h GLU 35 Cb 1.31 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 30.28 2bqn h GLU 35 CO 0.04 1.41 0.00 -1.13 -1.16 0.00 0.00 179.01 178.18 2bqn n SER 36 N -3.79 0.02 -1.45 1.42 3.41 -0.63 -4.85 113.62 107.76 2bqn n SER 36 Ca -0.17 -0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.07 2bqn n SER 36 Cb 1.06 0.06 0.01 0.00 -0.26 0.00 0.00 64.21 65.08 2bqn n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqn n GLY 37 N 0.06 0.08 3.42 5.00 0.00 -0.05 -2.84 105.19 110.85 2bqn n GLY 37 Ca 0.00 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 2bqn n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqn n TYR 38 N -3.88 -2.51 -3.90 1.61 4.01 -1.09 -4.78 117.16 106.62 2bqn n TYR 38 Ca -0.07 0.83 -0.35 0.00 -0.16 0.00 0.00 57.90 58.15 2bqn n TYR 38 Cb 0.56 -4.73 -0.14 0.00 -0.31 0.00 0.00 39.34 34.73 2bqn n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqn s ASN 39 N -3.09 4.38 0.52 7.72 2.47 -1.13 -0.73 114.94 125.08 2bqn s ASN 39 Ca 0.50 -0.52 0.31 0.00 0.42 0.00 0.00 52.86 53.56 2bqn s ASN 39 Cb -0.22 -1.74 1.13 0.00 -1.45 0.00 0.00 41.25 38.96 2bqn s ASN 39 CO 0.61 -0.06 1.90 0.71 -3.72 0.00 0.00 177.10 176.54 2bqn h THR 40 N 5.81 0.07 -0.35 -5.21 1.35 -1.49 -3.13 112.91 109.96 2bqn h THR 40 Ca -0.39 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 2bqn h THR 40 Cb 1.15 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2bqn h THR 40 CO 0.60 0.03 0.00 -2.11 -0.25 0.00 0.00 175.52 173.79 2bqn n ARG 41 N -3.13 2.34 -1.76 4.72 1.85 -1.26 -4.12 116.66 115.31 2bqn n ARG 41 Ca 0.01 -2.03 -0.42 0.00 -1.00 0.00 0.00 57.85 54.41 2bqn n ARG 41 Cb 0.36 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.26 2bqn n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqn s ALA 42 N -1.55 3.79 0.02 2.89 0.00 -1.19 -4.79 121.76 120.94 2bqn s ALA 42 Ca 0.37 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.81 2bqn s ALA 42 Cb 0.22 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 2bqn s ALA 42 CO 0.30 -1.12 -0.10 0.95 0.00 0.00 0.00 175.76 175.79 2bqn s THR 43 N 2.30 0.79 -0.08 0.00 -4.23 -1.26 -0.57 115.64 112.60 2bqn s THR 43 Ca 0.78 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 60.56 2bqn s THR 43 Cb -0.46 -0.72 0.04 0.00 1.34 0.00 0.00 72.50 72.70 2bqn s THR 43 CO 0.35 0.02 0.05 0.21 -0.54 0.00 0.00 174.62 174.71 2bqn s ASN 44 N -0.77 1.54 -0.01 3.99 2.47 -0.28 -4.97 114.94 116.90 2bqn s ASN 44 Ca 0.00 -0.12 -0.24 0.00 0.42 0.00 0.00 52.86 52.92 2bqn s ASN 44 Cb -0.06 -0.25 -0.05 0.00 -1.45 0.00 0.00 41.25 39.44 2bqn s ASN 44 CO 0.00 -0.26 0.74 -0.47 -3.72 0.00 0.00 177.10 173.39 2bqn s TYR 45 N 2.10 3.66 -0.56 0.43 5.04 -1.26 -0.72 117.35 126.05 2bqn s TYR 45 Ca 0.04 1.37 -0.13 0.00 -2.44 0.00 0.00 57.07 55.91 2bqn s TYR 45 Cb -0.13 -2.81 0.14 0.00 0.35 0.00 0.00 41.96 39.51 2bqn s TYR 45 CO -0.05 0.19 0.48 -0.80 -1.34 0.00 0.00 175.55 174.03 2bqn s ASN 46 N 0.35 6.07 0.38 4.32 0.01 -0.06 -4.93 114.94 121.08 2bqn s ASN 46 Ca 0.38 -1.98 0.06 0.00 -0.71 0.00 0.00 52.86 50.61 2bqn s ASN 46 Cb -0.19 -2.13 0.77 0.00 0.41 0.00 0.00 41.25 40.11 2bqn s ASN 46 CO 0.21 -0.75 2.01 0.00 -1.51 0.00 0.00 177.10 177.05 2bqn h ALA 47 N 8.55 1.69 -0.82 0.60 0.00 -1.95 0.20 119.26 127.52 2bqn h ALA 47 Ca -0.21 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2bqn h ALA 47 Cb 1.08 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2bqn h ALA 47 CO 0.94 0.25 0.52 0.78 0.00 0.00 0.00 179.25 181.74 2bqn h GLY 48 N 0.69 1.20 0.00 0.00 0.00 -1.96 -3.24 103.07 99.76 2bqn h GLY 48 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2bqn h GLY 48 CO -0.06 0.32 0.00 2.09 0.00 0.00 0.00 176.54 178.88 2bqn n ASP 49 N -4.60 1.50 -1.92 0.19 5.75 -1.13 -5.02 116.55 111.33 2bqn n ASP 49 Ca 0.10 -1.56 -0.18 0.00 -0.01 0.00 0.00 54.79 53.15 2bqn n ASP 49 Cb 0.11 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 2bqn n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqn n ARG 50 N -0.28 -1.38 -3.85 0.11 1.74 0.68 -4.74 116.66 108.93 2bqn n ARG 50 Ca 0.00 0.89 -0.22 0.00 -0.77 0.00 0.00 57.85 57.76 2bqn n ARG 50 Cb 0.16 -5.34 -0.05 0.00 -1.02 0.00 0.00 32.46 26.21 2bqn n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqn s SER 51 N -2.29 4.96 0.01 0.55 1.04 -1.18 -4.46 113.70 112.32 2bqn s SER 51 Ca 0.00 -0.71 0.03 0.00 0.48 0.00 0.00 55.95 55.75 2bqn s SER 51 Cb 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.37 2bqn s SER 51 CO 0.00 -0.44 -0.08 -0.89 0.98 0.00 0.00 173.24 172.81 2bqn s THR 52 N -2.42 0.62 -0.18 2.02 2.01 -1.26 -0.88 115.64 115.55 2bqn s THR 52 Ca 0.42 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.81 2bqn s THR 52 Cb -0.03 -0.56 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 2bqn s THR 52 CO 0.25 0.06 0.16 -1.81 -0.69 0.00 0.00 174.62 172.59 2bqn s ASP 53 N -0.50 6.27 -0.03 3.53 1.01 0.10 -1.24 116.67 125.81 2bqn s ASP 53 Ca 0.01 0.31 0.06 0.00 0.71 0.00 0.00 52.55 53.64 2bqn s ASP 53 Cb -0.04 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 2bqn s ASP 53 CO 0.00 0.19 -0.22 -0.31 0.21 0.00 0.00 175.17 175.04 2bqn s TYR 54 N 0.25 2.46 0.00 4.23 1.51 0.33 -1.13 117.35 125.00 2bqn s TYR 54 Ca 0.10 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 2bqn s TYR 54 Cb -0.11 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 2bqn s TYR 54 CO -0.00 0.01 0.00 0.41 -1.11 0.00 0.00 175.55 174.86 2bqn n GLY 55 N 2.46 -1.59 0.31 0.71 0.00 0.27 -0.60 105.19 106.75 2bqn n GLY 55 Ca -0.17 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.57 2bqn n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqn h ILE 56 N 0.00 1.14 -0.41 -0.61 2.10 -1.71 -2.14 117.51 115.88 2bqn h ILE 56 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 2bqn h ILE 56 Cb 0.00 0.46 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 2bqn h ILE 56 CO 0.00 0.14 0.00 0.49 -1.08 0.00 0.00 178.15 177.70 2bqn n PHE 57 N -4.44 0.54 -3.63 2.19 3.72 -1.26 -3.97 117.46 110.60 2bqn n PHE 57 Ca 0.04 -0.29 -0.25 0.00 -0.05 0.00 0.00 57.45 56.90 2bqn n PHE 57 Cb 0.08 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.63 2bqn n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqn n GLN 58 N 1.39 -1.24 -2.94 -1.08 1.13 -0.80 -4.91 117.38 108.93 2bqn n GLN 58 Ca 0.19 0.72 -0.41 0.00 -1.94 0.00 0.00 57.00 55.56 2bqn n GLN 58 Cb 0.58 -3.69 -0.04 0.00 0.11 0.00 0.00 30.24 27.20 2bqn n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqn s ILE 59 N -3.22 4.97 0.05 5.09 1.01 0.23 -4.44 121.20 124.89 2bqn s ILE 59 Ca 0.23 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 2bqn s ILE 59 Cb -0.09 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2bqn s ILE 59 CO 0.86 0.18 1.07 0.21 0.00 0.00 0.00 174.94 177.26 2bqn s ASN 60 N 0.93 7.27 0.04 3.58 3.84 -1.26 -0.52 114.94 128.82 2bqn s ASN 60 Ca 0.41 1.85 0.15 0.00 0.21 0.00 0.00 52.86 55.48 2bqn s ASN 60 Cb -0.18 -2.58 0.66 0.00 -0.55 0.00 0.00 41.25 38.60 2bqn s ASN 60 CO 0.19 -0.31 1.49 -1.54 -2.79 0.00 0.00 177.10 174.14 2bqn n SER 61 N 3.62 0.11 0.08 -4.21 3.41 -0.37 -1.71 113.62 114.54 2bqn n SER 61 Ca 0.06 0.53 -0.16 0.00 -0.26 0.00 0.00 58.87 59.04 2bqn n SER 61 Cb 0.49 -0.55 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 2bqn n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bqn h ARG 62 N 0.00 0.41 0.00 4.33 2.43 -1.85 -3.41 114.38 116.30 2bqn h ARG 62 Ca 0.00 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2bqn h ARG 62 Cb 0.26 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2bqn h ARG 62 CO 0.00 1.18 -0.92 0.66 -1.51 0.00 0.00 179.97 179.38 2bqn n TYR 63 N -3.70 0.00 -0.11 2.20 4.02 -1.18 -0.47 117.16 117.93 2bqn n TYR 63 Ca -0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.67 2bqn n TYR 63 Cb 0.91 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 40.10 2bqn n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2bqn n TRP 64 N -1.88 0.00 -4.21 -0.72 7.02 -0.70 0.30 117.44 117.25 2bqn n TRP 64 Ca 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.34 2bqn n TRP 64 Cb 0.46 -0.95 -0.10 0.00 -2.42 0.00 0.00 31.31 28.29 2bqn n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqn s ASN 66 N -2.95 5.66 0.00 0.00 2.47 0.53 -4.38 114.94 116.26 2bqn s ASN 66 Ca 0.13 -0.00 0.01 0.00 0.42 0.00 0.00 52.86 53.41 2bqn s ASN 66 Cb 0.02 -2.01 0.01 0.00 -1.45 0.00 0.00 41.25 37.82 2bqn s ASN 66 CO -0.01 0.06 0.65 -0.90 -3.72 0.00 0.00 177.10 173.18 2bqn n ASP 67 N 4.30 1.32 0.00 -4.21 5.75 -1.26 -1.36 116.55 121.09 2bqn n ASP 67 Ca -0.16 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2bqn n ASP 67 Cb 0.52 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 2bqn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bqn n GLY 68 N -0.05 1.75 1.17 6.12 0.00 -1.26 -4.71 105.19 108.20 2bqn n GLY 68 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2bqn n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqn n LYS 69 N -0.78 2.53 -3.40 1.61 2.85 -1.26 -4.92 118.16 114.78 2bqn n LYS 69 Ca 0.00 -2.34 -0.39 0.00 -1.05 0.00 0.00 58.31 54.54 2bqn n LYS 69 Cb 0.00 -1.51 -0.08 0.00 -0.65 0.00 0.00 35.03 32.78 2bqn n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqn s THR 70 N -1.38 5.19 0.47 0.58 2.01 -1.26 -4.97 115.64 116.28 2bqn s THR 70 Ca 0.40 0.61 -0.25 0.00 0.31 0.00 0.00 61.69 62.76 2bqn s THR 70 Cb 0.23 -3.70 -0.08 0.00 0.01 0.00 0.00 72.50 68.96 2bqn s THR 70 CO 0.31 0.21 1.42 -2.84 -0.69 0.00 0.00 174.62 173.03 2bqn s PRO 71 N 1.70 3.58 -1.57 4.92 0.02 -1.26 -3.23 135.00 139.15 2bqn s PRO 71 Ca 0.16 2.40 -0.10 0.00 0.02 0.00 0.00 61.00 63.48 2bqn s PRO 71 Cb -0.15 -2.58 0.09 0.00 0.02 0.00 0.00 34.50 31.87 2bqn s PRO 71 CO 0.09 -0.90 0.64 0.41 -0.33 0.00 0.00 177.00 176.91 2bqn n GLY 72 N 0.60 -0.35 3.91 0.52 0.00 -1.26 -4.94 105.19 103.66 2bqn n GLY 72 Ca 0.06 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 2bqn n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqn s ALA 73 N -3.58 3.53 0.22 4.61 0.00 -1.20 -4.96 121.76 120.38 2bqn s ALA 73 Ca 0.42 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.87 2bqn s ALA 73 Cb -0.23 -2.41 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2bqn s ALA 73 CO 0.90 -0.02 -0.03 0.08 0.00 0.00 0.00 175.76 176.70 2bqn s VAL 74 N -2.36 1.12 -0.57 0.00 1.01 0.38 -5.03 120.40 114.95 2bqn s VAL 74 Ca 0.45 -2.05 0.06 0.00 0.00 0.00 0.00 61.98 60.45 2bqn s VAL 74 Cb -0.10 -2.27 0.24 0.00 0.00 0.00 0.00 36.38 34.24 2bqn s VAL 74 CO 0.36 -0.39 0.64 -3.20 0.00 0.00 0.00 175.10 172.51 2bqn n ASN 75 N -0.40 2.51 0.20 3.32 5.15 -1.25 -4.05 115.26 120.73 2bqn n ASN 75 Ca -0.06 -3.17 -0.15 0.00 -0.60 0.00 0.00 54.58 50.61 2bqn n ASN 75 Cb 0.63 -0.66 -0.08 0.00 -0.53 0.00 0.00 39.78 39.14 2bqn n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2bqn h ALA 76 N 4.30 -0.44 0.00 5.20 0.00 -0.34 -2.15 119.26 125.83 2bqn h ALA 76 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2bqn h ALA 76 Cb 0.74 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bqn h ALA 76 CO 0.70 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2bqn n ALA 77 N -2.30 1.58 -3.54 0.00 0.00 -1.04 -4.90 120.51 110.32 2bqn n ALA 77 Ca -0.10 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 2bqn n ALA 77 Cb 0.20 -1.36 0.08 0.00 0.00 0.00 0.00 19.45 18.37 2bqn n ALA 77 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bqn n HIS 78 N -2.17 -2.66 -4.37 0.00 -0.00 -0.81 -4.98 115.22 100.23 2bqn n HIS 78 Ca 0.02 0.98 -0.19 0.00 -0.00 0.00 0.00 57.72 58.53 2bqn n HIS 78 Cb 0.20 -5.01 -0.10 0.00 -0.00 0.00 0.00 29.99 25.07 2bqn n HIS 78 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 2bqn s LEU 79 N -6.97 2.50 0.03 2.41 0.20 -1.26 -5.04 118.68 110.56 2bqn s LEU 79 Ca 0.41 -1.10 -0.20 0.00 0.69 0.00 0.00 54.13 53.94 2bqn s LEU 79 Cb -0.18 -0.61 -0.06 0.00 -0.43 0.00 0.00 46.19 44.91 2bqn s LEU 79 CO 0.72 -0.27 0.58 -0.55 -0.29 0.00 0.00 176.35 176.55 2bqn s SER 80 N -3.35 7.02 0.62 3.68 0.15 -1.26 -0.35 113.70 120.21 2bqn s SER 80 Ca 0.25 1.21 0.35 0.00 0.70 0.00 0.00 55.95 58.46 2bqn s SER 80 Cb 0.02 -2.36 2.03 0.00 -1.71 0.00 0.00 66.02 63.99 2bqn s SER 80 CO 0.08 0.18 2.27 0.00 1.20 0.00 0.00 173.24 176.97 2bqn h SER 82 N 0.00 0.78 0.16 0.00 0.87 -1.93 -1.64 113.55 111.79 2bqn h SER 82 Ca 0.01 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2bqn h SER 82 Cb 0.09 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2bqn h SER 82 CO -0.00 0.49 -0.02 0.00 -0.53 0.00 0.00 176.83 176.77 2bqn h ALA 83 N 1.56 1.19 -0.38 6.23 0.00 -1.62 -1.44 119.26 124.80 2bqn h ALA 83 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2bqn h ALA 83 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bqn h ALA 83 CO -0.14 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.42 2bqn n LEU 84 N -3.38 2.14 -0.31 0.00 4.77 -0.62 -3.68 117.00 115.93 2bqn n LEU 84 Ca -0.02 -1.07 0.03 0.00 -0.03 0.00 0.00 56.01 54.91 2bqn n LEU 84 Cb 0.12 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2bqn n LEU 84 CO 0.24 0.51 0.48 0.18 -1.33 0.00 0.00 177.39 177.47 2bqn n LEU 85 N 0.61 2.10 -4.85 2.23 4.77 -0.54 -3.16 117.00 118.16 2bqn n LEU 85 Ca 0.13 -1.58 -0.30 0.00 -0.03 0.00 0.00 56.01 54.22 2bqn n LEU 85 Cb 0.35 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 2bqn n LEU 85 CO 0.09 0.50 0.73 -1.10 -1.33 0.00 0.00 177.39 176.28 2bqn s GLN 86 N -0.80 2.78 0.18 3.23 -0.21 -1.24 -4.49 119.66 119.11 2bqn s GLN 86 Ca 0.10 0.66 0.02 0.00 0.02 0.00 0.00 55.36 56.16 2bqn s GLN 86 Cb 0.06 -1.99 0.05 0.00 1.00 0.00 0.00 33.01 32.12 2bqn s GLN 86 CO 0.08 -1.14 1.42 -0.44 -2.12 0.00 0.00 175.29 173.09 2bqn h ASP 87 N -0.74 0.32 -3.12 5.90 3.32 -1.93 -3.41 116.42 116.76 2bqn h ASP 87 Ca -0.45 -0.24 -0.58 0.00 0.02 0.00 0.00 57.03 55.79 2bqn h ASP 87 Cb 1.24 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 2bqn h ASP 87 CO 0.61 1.00 0.83 0.21 -1.72 0.00 0.00 179.24 180.17 2bqn s ASN 88 N -6.94 7.02 -0.15 6.45 3.84 -1.26 -4.92 114.94 118.97 2bqn s ASN 88 Ca -0.04 1.33 0.07 0.00 0.21 0.00 0.00 52.86 54.44 2bqn s ASN 88 Cb 0.10 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.73 2bqn s ASN 88 CO 0.83 -0.75 1.26 2.30 -2.79 0.00 0.00 177.10 177.94 2bqn n ILE 89 N 5.50 1.67 -0.13 -5.21 -5.35 -1.26 -4.42 119.36 110.16 2bqn n ILE 89 Ca 0.12 -0.84 -0.08 0.00 -0.27 0.00 0.00 62.75 61.68 2bqn n ILE 89 Cb 0.46 -0.41 -0.00 0.00 -1.74 0.00 0.00 39.64 37.95 2bqn n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqn h ALA 90 N 2.95 0.52 -0.26 -1.28 0.00 -1.94 0.27 119.26 119.52 2bqn h ALA 90 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2bqn h ALA 90 Cb 1.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2bqn h ALA 90 CO 0.33 0.03 -0.41 -0.44 0.00 0.00 0.00 179.25 178.76 2bqn h ASP 91 N 0.52 0.67 -0.56 0.00 3.32 -1.86 -1.33 116.42 117.18 2bqn h ASP 91 Ca 0.14 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 2bqn h ASP 91 Cb 0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2bqn h ASP 91 CO -0.02 1.00 0.17 0.00 -1.72 0.00 0.00 179.24 178.67 2bqn h ALA 92 N 1.03 0.74 -0.47 3.45 0.00 -1.75 0.06 119.26 122.32 2bqn h ALA 92 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2bqn h ALA 92 Cb 0.93 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2bqn h ALA 92 CO 0.08 0.41 0.18 0.00 0.00 0.00 0.00 179.25 179.92 2bqn h ALA 93 N 1.04 0.61 -0.58 0.00 0.00 -0.72 0.10 119.26 119.72 2bqn h ALA 93 Ca 0.18 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2bqn h ALA 93 Cb 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2bqn h ALA 93 CO -0.00 0.23 0.19 0.00 0.00 0.00 0.00 179.25 179.67 2bqn h ALA 94 N 1.03 1.24 -0.18 0.00 0.00 -0.96 -1.46 119.26 118.92 2bqn h ALA 94 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2bqn h ALA 94 Cb 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2bqn h ALA 94 CO -0.01 0.54 -0.10 0.00 0.00 0.00 0.00 179.25 179.67 2bqn h ALA 95 N 1.36 0.26 -0.50 0.00 0.00 -0.57 -2.41 119.26 117.40 2bqn h ALA 95 Ca 0.19 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2bqn h ALA 95 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2bqn h ALA 95 CO -0.01 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.67 2bqn h ALA 96 N 0.67 1.82 -0.30 0.00 0.00 -0.60 -1.03 119.26 119.83 2bqn h ALA 96 Ca 0.04 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2bqn h ALA 96 Cb 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bqn h ALA 96 CO 0.03 0.11 -0.02 0.87 0.00 0.00 0.00 179.25 180.24 2bqn h LYS 97 N 0.51 0.54 -0.55 0.00 1.57 -1.11 -2.57 116.57 114.96 2bqn h LYS 97 Ca 0.21 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2bqn h LYS 97 Cb 0.18 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2bqn h LYS 97 CO -0.05 0.70 0.36 -0.09 -0.57 0.00 0.00 179.45 179.80 2bqn h ARG 98 N 0.33 0.70 -0.18 3.15 9.65 -0.80 -2.29 114.38 124.94 2bqn h ARG 98 Ca 0.08 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2bqn h ARG 98 Cb 0.47 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.85 2bqn h ARG 98 CO 0.02 0.46 -0.08 0.28 2.80 0.00 0.00 179.97 183.45 2bqn h VAL 99 N 0.72 0.73 0.00 0.20 2.07 -1.10 -1.64 116.25 117.23 2bqn h VAL 99 Ca 0.21 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 2bqn h VAL 99 Cb -0.05 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2bqn h VAL 99 CO -0.06 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.86 2bqn n VAL 100 N -5.23 0.13 1.48 2.57 0.24 -0.98 -2.43 118.33 114.10 2bqn n VAL 100 Ca -0.02 0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.46 2bqn n VAL 100 Cb 0.16 -0.67 0.76 0.00 -1.47 0.00 0.00 33.84 32.61 2bqn n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2bqn n ARG 101 N -1.11 0.51 -3.15 7.34 0.63 -0.62 -4.14 116.66 116.12 2bqn n ARG 101 Ca 0.14 -0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.75 2bqn n ARG 101 Cb 0.12 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.50 2bqn n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bqn s ASP 102 N -2.51 6.48 0.50 6.15 1.11 -1.02 -4.99 116.67 122.40 2bqn s ASP 102 Ca 0.30 0.89 0.33 0.00 0.18 0.00 0.00 52.55 54.25 2bqn s ASP 102 Cb 0.20 -2.22 1.45 0.00 1.07 0.00 0.00 42.92 43.43 2bqn s ASP 102 CO 0.46 -0.27 1.78 1.55 1.18 0.00 0.00 175.17 179.86 2bqn h PRO 103 N 1.54 0.09 -0.18 8.23 0.13 -1.89 -1.31 132.00 138.62 2bqn h PRO 103 Ca -0.47 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2bqn h PRO 103 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2bqn h PRO 103 CO 0.65 0.06 -0.15 1.96 -0.23 0.00 0.00 178.00 180.29 2bqn h GLN 104 N 0.09 0.29 0.00 0.86 4.20 -1.90 -3.48 115.11 115.17 2bqn h GLN 104 Ca 0.60 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.24 2bqn h GLN 104 Cb 2.17 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.91 2bqn h GLN 104 CO -0.10 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 2bqn n GLY 105 N -0.78 2.16 0.28 3.46 0.00 -0.50 -2.32 105.19 107.50 2bqn n GLY 105 Ca -0.00 -0.53 0.18 0.00 0.00 0.00 0.00 46.02 45.67 2bqn n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqn h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.52 117.51 118.56 2bqn h ILE 106 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2bqn h ILE 106 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 2bqn h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2bqn n ARG 107 N -2.89 0.01 0.23 2.19 1.74 -0.98 -2.84 116.66 114.12 2bqn n ARG 107 Ca -0.01 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.43 2bqn n ARG 107 Cb 0.16 -1.50 0.74 0.00 -1.02 0.00 0.00 32.46 30.83 2bqn n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqn h ALA 108 N 2.52 1.92 -2.52 7.54 0.00 -1.62 -3.37 119.26 123.74 2bqn h ALA 108 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2bqn h ALA 108 Cb 0.25 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.89 2bqn h ALA 108 CO 0.00 -0.11 -0.15 -1.58 0.00 0.00 0.00 179.25 177.41 2bqn s TRP 109 N -4.91 3.20 0.43 0.00 0.51 -1.13 -4.94 118.94 112.10 2bqn s TRP 109 Ca -0.05 0.13 0.15 0.00 -2.12 0.00 0.00 56.10 54.21 2bqn s TRP 109 Cb 0.17 -2.80 0.97 0.00 -0.81 0.00 0.00 33.47 30.99 2bqn s TRP 109 CO 0.63 -0.47 1.96 0.28 -0.51 0.00 0.00 176.95 178.84 2bqn h VAL 110 N 5.57 1.13 0.00 4.03 2.07 -1.89 -1.83 116.25 125.33 2bqn h VAL 110 Ca -0.29 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2bqn h VAL 110 Cb 1.13 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2bqn h VAL 110 CO 0.73 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 178.48 2bqn h ALA 111 N 1.78 1.85 -0.36 1.67 0.00 -1.93 -1.16 119.26 121.11 2bqn h ALA 111 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2bqn h ALA 111 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2bqn h ALA 111 CO 0.03 0.07 -0.05 2.35 0.00 0.00 0.00 179.25 181.65 2bqn h TRP 112 N 0.00 0.75 -0.72 0.00 7.01 -1.65 -1.58 115.95 119.76 2bqn h TRP 112 Ca -0.00 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 60.82 2bqn h TRP 112 Cb 0.11 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 2bqn h TRP 112 CO 0.00 0.80 0.30 0.00 -2.79 0.00 0.00 178.44 176.76 2bqn h ARG 113 N 0.48 1.05 -0.02 2.65 3.08 -1.23 0.27 114.38 120.65 2bqn h ARG 113 Ca 0.10 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2bqn h ARG 113 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2bqn h ARG 113 CO 0.03 0.84 -0.06 -0.91 -1.07 0.00 0.00 179.97 178.80 2bqn h ASN 114 N 1.03 0.08 -0.01 7.04 2.35 -1.32 -3.37 115.58 121.38 2bqn h ASN 114 Ca 0.24 -0.62 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 2bqn h ASN 114 Cb 0.17 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2bqn h ASN 114 CO -0.02 0.69 -0.14 -2.11 -1.65 0.00 0.00 177.43 174.20 2bqn n ARG 115 N -4.72 1.61 0.00 0.81 0.00 -0.60 -4.83 116.66 108.92 2bqn n ARG 115 Ca -0.09 -0.73 0.00 0.00 -0.00 0.00 0.00 57.85 57.03 2bqn n ARG 115 Cb 0.34 -1.10 0.00 0.00 -0.00 0.00 0.00 32.46 31.70 2bqn n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bqn n GLN 117 N -2.81 1.67 -3.26 0.00 7.27 -0.03 -2.00 117.38 118.21 2bqn n GLN 117 Ca 0.00 0.59 -0.24 0.00 0.07 0.00 0.00 57.00 57.43 2bqn n GLN 117 Cb 0.49 -2.12 0.02 0.00 2.41 0.00 0.00 30.24 31.04 2bqn n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqn n ASN 118 N 1.65 -5.17 -4.30 1.69 5.03 -1.26 -4.95 115.26 107.95 2bqn n ASN 118 Ca 0.11 -0.38 -0.16 0.00 0.87 0.00 0.00 54.58 55.01 2bqn n ASN 118 Cb 0.31 -4.19 -0.10 0.00 -1.02 0.00 0.00 39.78 34.78 2bqn n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqn s ARG 119 N -5.94 1.22 -0.59 3.52 0.52 -0.85 -5.08 118.95 111.75 2bqn s ARG 119 Ca 0.39 -1.58 -0.28 0.00 -0.52 0.00 0.00 55.73 53.74 2bqn s ARG 119 Cb -0.19 -0.63 0.02 0.00 0.52 0.00 0.00 34.95 34.68 2bqn s ARG 119 CO 0.48 -0.02 1.34 0.34 0.02 0.00 0.00 175.30 177.45 2bqn s ASP 120 N -3.25 6.22 0.00 0.23 2.15 -1.26 -4.84 116.67 115.92 2bqn s ASP 120 Ca 0.24 0.13 0.21 0.00 0.43 0.00 0.00 52.55 53.56 2bqn s ASP 120 Cb 0.04 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.47 2bqn s ASP 120 CO 0.05 -1.67 1.32 1.33 -0.17 0.00 0.00 175.17 176.04 2bqn n VAL 121 N 6.74 0.45 -0.27 1.11 0.24 -1.26 -4.52 118.33 120.82 2bqn n VAL 121 Ca 0.10 -0.72 0.09 0.00 -2.04 0.00 0.00 64.34 61.77 2bqn n VAL 121 Cb 0.49 1.03 0.34 0.00 -1.47 0.00 0.00 33.84 34.22 2bqn n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqn h ARG 122 N 4.11 0.77 -0.39 7.34 3.08 -1.91 -1.28 114.38 126.09 2bqn h ARG 122 Ca 0.00 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.12 2bqn h ARG 122 Cb 0.92 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2bqn h ARG 122 CO 0.00 0.51 0.50 -0.56 -1.07 0.00 0.00 179.97 179.35 2bqn h GLN 123 N 0.79 0.00 0.00 0.04 3.07 -1.97 -1.21 115.11 115.83 2bqn h GLN 123 Ca 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.12 2bqn h GLN 123 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2bqn h GLN 123 CO -0.18 0.00 -0.17 1.88 0.09 0.00 0.00 178.83 180.45 2bqn h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.56 -3.29 116.97 112.23 2bqn h TYR 124 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2bqn h TYR 124 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2bqn h TYR 124 CO 0.00 0.17 0.00 1.33 -1.05 0.00 0.00 178.16 178.61 2bqn n VAL 125 N -3.27 0.68 -2.26 -2.88 0.24 -0.51 -4.84 118.33 105.49 2bqn n VAL 125 Ca 0.01 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.15 2bqn n VAL 125 Cb 0.44 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 2bqn n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqn s GLN 126 N -0.68 4.36 0.00 7.34 2.00 -0.89 -2.77 119.66 129.03 2bqn s GLN 126 Ca 0.00 1.97 0.00 0.00 -2.00 0.00 0.00 55.36 55.33 2bqn s GLN 126 Cb 0.00 -3.28 0.00 0.00 0.80 0.00 0.00 33.01 30.53 2bqn s GLN 126 CO 0.00 -0.36 0.00 0.41 -0.50 0.00 0.00 175.29 174.84 2bqn n GLY 127 N 3.35 1.29 0.06 2.59 0.00 -1.26 -4.92 105.19 106.30 2bqn n GLY 127 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2bqn n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqn n GLY 129 N 1.38 0.37 0.31 0.00 0.00 -1.26 -4.86 105.19 101.13 2bqn n GLY 129 Ca 0.05 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.35 2bqn n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65