#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bqk s VAL 2 N 0.00 4.22 0.51 3.15 1.01 -1.26 -0.95 120.40 127.07 2bqk s VAL 2 Ca 0.00 -0.95 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 2bqk s VAL 2 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.95 2bqk s VAL 2 CO 0.00 -0.19 1.08 -0.36 0.00 0.00 0.00 175.10 175.63 2bqk s PHE 3 N 1.49 2.85 0.25 5.22 0.40 0.13 -5.00 117.98 123.33 2bqk s PHE 3 Ca 0.01 1.56 -0.10 0.00 -0.60 0.00 0.00 56.93 57.80 2bqk s PHE 3 Cb -0.19 -3.17 -0.07 0.00 0.51 0.00 0.00 43.02 40.10 2bqk s PHE 3 CO 0.05 -1.16 0.58 -1.21 0.70 0.00 0.00 175.22 174.18 2bqk s GLU 4 N -3.25 3.80 0.07 0.44 2.02 -1.26 -4.84 118.70 115.68 2bqk s GLU 4 Ca 0.70 0.29 -0.14 0.00 0.02 0.00 0.00 54.97 55.83 2bqk s GLU 4 Cb -0.20 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 2bqk s GLU 4 CO 0.23 0.28 1.24 -0.09 0.02 0.00 0.00 175.26 176.94 2bqk h ARG 5 N 2.38 -0.06 0.00 1.61 2.43 -1.96 -0.81 114.38 117.96 2bqk h ARG 5 Ca -0.47 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 2bqk h ARG 5 Cb 1.17 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2bqk h ARG 5 CO 0.68 -0.04 -0.26 0.00 -1.51 0.00 0.00 179.97 178.84 2bqk h GLU 7 N 0.00 0.58 -0.48 0.00 4.81 -1.79 -2.15 114.58 115.54 2bqk h GLU 7 Ca -0.00 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2bqk h GLU 7 Cb 0.46 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2bqk h GLU 7 CO 0.03 0.53 -0.00 1.25 -0.73 0.00 0.00 179.01 180.09 2bqk h LEU 8 N 0.49 0.84 -0.09 1.64 5.85 -0.55 -2.68 115.31 120.81 2bqk h LEU 8 Ca 0.13 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.59 2bqk h LEU 8 Cb 0.16 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2bqk h LEU 8 CO -0.01 0.94 -0.24 0.00 -0.34 0.00 0.00 178.44 178.79 2bqk h ALA 9 N 0.93 -0.25 -0.31 1.25 0.00 -0.72 -0.40 119.26 119.75 2bqk h ALA 9 Ca 0.14 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2bqk h ALA 9 Cb 0.51 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2bqk h ALA 9 CO 0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 179.25 178.56 2bqk h ARG 10 N -0.33 0.48 0.09 0.00 3.08 -1.42 -1.21 114.38 115.08 2bqk h ARG 10 Ca 0.09 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2bqk h ARG 10 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2bqk h ARG 10 CO -0.27 0.51 -0.04 1.15 -1.07 0.00 0.00 179.97 180.24 2bqk h THR 11 N 0.46 1.05 -0.71 2.04 2.02 -1.08 -0.12 112.91 116.58 2bqk h THR 11 Ca 0.10 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 2bqk h THR 11 Cb 0.31 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 2bqk h THR 11 CO 0.01 0.13 0.31 -0.07 0.37 0.00 0.00 175.52 176.27 2bqk h LEU 12 N -0.38 0.95 -0.16 2.58 3.38 -0.92 -0.86 115.31 119.90 2bqk h LEU 12 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2bqk h LEU 12 Cb 0.32 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2bqk h LEU 12 CO 0.02 0.83 0.08 0.50 0.09 0.00 0.00 178.44 179.96 2bqk h LYS 13 N 1.02 0.22 0.00 1.13 3.64 -1.02 -1.79 116.57 119.77 2bqk h LYS 13 Ca 0.24 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2bqk h LYS 13 Cb 0.16 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2bqk h LYS 13 CO -0.03 0.25 -0.05 -0.09 -2.27 0.00 0.00 179.45 177.26 2bqk h ARG 14 N 0.14 0.00 -0.25 1.90 2.43 -0.63 -0.51 114.38 117.46 2bqk h ARG 14 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2bqk h ARG 14 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2bqk h ARG 14 CO -0.01 0.05 0.00 1.28 -1.51 0.00 0.00 179.97 179.78 2bqk n LEU 15 N -4.09 1.33 -1.85 3.80 4.77 -0.36 -4.91 117.00 115.68 2bqk n LEU 15 Ca -0.03 -0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 55.16 2bqk n LEU 15 Cb 0.14 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2bqk n LEU 15 CO 0.31 0.33 0.01 0.61 -1.33 0.00 0.00 177.39 177.32 2bqk n GLY 16 N 0.88 0.01 0.10 -0.72 0.00 -0.20 -4.94 105.19 100.31 2bqk n GLY 16 Ca 0.08 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2bqk n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bqk n MET 17 N -2.64 0.62 -1.99 1.61 2.81 -0.74 -4.59 117.12 112.20 2bqk n MET 17 Ca -0.06 0.13 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 2bqk n MET 17 Cb 0.57 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 2bqk n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2bqk s ASP 18 N -5.43 6.12 0.00 7.83 2.15 -1.26 -2.07 116.67 124.01 2bqk s ASP 18 Ca -0.02 1.60 0.00 0.00 0.43 0.00 0.00 52.55 54.56 2bqk s ASP 18 Cb 0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2bqk s ASP 18 CO 0.81 -1.48 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 2bqk n GLY 19 N 5.04 0.54 3.67 2.66 0.00 0.44 -4.90 105.19 112.65 2bqk n GLY 19 Ca 0.21 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2bqk n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2bqk s TYR 20 N -2.00 2.43 -1.57 1.61 5.04 -0.88 -2.24 117.35 119.74 2bqk s TYR 20 Ca 0.00 0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.98 2bqk s TYR 20 Cb 0.00 -3.80 0.11 0.00 0.35 0.00 0.00 41.96 38.61 2bqk s TYR 20 CO 0.00 -3.19 0.89 0.54 -1.34 0.00 0.00 175.55 172.45 2bqk n ARG 21 N 6.22 -4.68 -0.99 4.97 5.12 -1.26 -0.30 116.66 125.73 2bqk n ARG 21 Ca 0.15 0.53 0.00 0.00 -1.93 0.00 0.00 57.85 56.60 2bqk n ARG 21 Cb 0.43 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.36 2bqk n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bqk n GLY 22 N -1.56 0.58 3.55 -0.13 0.00 -0.95 -5.00 105.19 101.68 2bqk n GLY 22 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2bqk n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bqk s ILE 23 N -2.38 5.23 0.58 -0.61 1.01 0.59 -4.90 121.20 120.72 2bqk s ILE 23 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 2bqk s ILE 23 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2bqk s ILE 23 CO 0.00 0.00 1.14 -0.94 0.00 0.00 0.00 174.94 175.15 2bqk s SER 24 N 1.73 5.43 0.23 3.58 1.04 -1.26 -0.42 113.70 124.03 2bqk s SER 24 Ca 0.09 2.18 -0.06 0.00 0.48 0.00 0.00 55.95 58.64 2bqk s SER 24 Cb -0.17 -2.58 0.37 0.00 0.10 0.00 0.00 66.02 63.74 2bqk s SER 24 CO 0.11 -1.42 1.75 0.25 0.98 0.00 0.00 173.24 174.92 2bqk h LEU 25 N 0.83 0.35 -1.50 2.42 5.85 -1.91 0.27 115.31 121.63 2bqk h LEU 25 Ca -0.49 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.43 2bqk h LEU 25 Cb 1.27 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2bqk h LEU 25 CO 0.56 0.18 0.49 0.00 -0.34 0.00 0.00 178.44 179.33 2bqk h ALA 26 N 1.47 1.98 -0.17 1.25 0.00 -1.91 0.87 119.26 122.75 2bqk h ALA 26 Ca 0.37 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 2bqk h ALA 26 Cb 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bqk h ALA 26 CO -0.32 -0.16 -0.66 -0.91 0.00 0.00 0.00 179.25 177.20 2bqk h ASN 27 N 0.52 0.73 -0.27 0.00 2.35 -1.28 -0.71 115.58 116.93 2bqk h ASN 27 Ca 0.36 -0.44 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 2bqk h ASN 27 Cb 0.67 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2bqk h ASN 27 CO -0.12 1.19 -0.13 -0.50 -1.65 0.00 0.00 177.43 176.22 2bqk h TRP 28 N 0.46 0.75 -0.21 1.19 4.06 -0.49 -0.74 115.95 120.97 2bqk h TRP 28 Ca -0.02 -0.13 -0.03 0.00 2.06 0.00 0.00 58.89 60.77 2bqk h TRP 28 Cb 1.24 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 2bqk h TRP 28 CO 0.06 0.78 0.01 0.52 -3.56 0.00 0.00 178.44 176.24 2bqk h MET 29 N 0.62 0.36 -1.01 0.49 2.86 -0.81 -1.48 114.93 115.97 2bqk h MET 29 Ca 0.11 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2bqk h MET 29 Cb 0.58 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.15 2bqk h MET 29 CO 0.04 0.55 0.66 0.00 1.06 0.00 0.00 176.91 179.22 2bqk h LEU 31 N 1.37 -0.44 -0.93 0.00 5.85 -0.85 -2.72 115.31 117.58 2bqk h LEU 31 Ca 0.37 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.10 2bqk h LEU 31 Cb -0.15 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2bqk h LEU 31 CO -0.08 -0.25 0.60 0.00 -0.34 0.00 0.00 178.44 178.37 2bqk h ALA 32 N -0.02 1.24 -0.32 1.25 0.00 -1.08 -0.31 119.26 120.02 2bqk h ALA 32 Ca -0.05 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2bqk h ALA 32 Cb 0.45 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2bqk h ALA 32 CO 0.09 0.44 0.11 -0.22 0.00 0.00 0.00 179.25 179.67 2bqk h LYS 33 N 1.14 0.24 0.00 0.00 1.63 -1.21 -0.82 116.57 117.55 2bqk h LYS 33 Ca 0.38 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.96 2bqk h LYS 33 Cb 0.05 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2bqk h LYS 33 CO -0.13 0.16 -1.02 -1.49 -3.45 0.00 0.00 179.45 173.52 2bqk h TRP 34 N 0.25 0.00 0.07 1.91 4.06 -1.21 -1.39 115.95 119.63 2bqk h TRP 34 Ca 0.14 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.83 2bqk h TRP 34 Cb 0.12 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2bqk h TRP 34 CO -0.14 0.89 -1.07 0.93 -3.56 0.00 0.00 178.44 175.50 2bqk h GLU 35 N 0.00 0.60 0.00 0.49 4.39 -0.95 -3.42 114.58 115.69 2bqk h GLU 35 Ca -0.05 -0.74 0.00 0.00 0.34 0.00 0.00 59.36 58.91 2bqk h GLU 35 Cb 1.72 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2bqk h GLU 35 CO 0.11 1.32 -0.01 -1.13 -1.16 0.00 0.00 179.01 178.14 2bqk n SER 36 N -3.90 0.06 -1.42 1.42 3.41 -0.37 -4.83 113.62 107.99 2bqk n SER 36 Ca -0.12 -0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.31 2bqk n SER 36 Cb 0.90 0.18 0.02 0.00 -0.26 0.00 0.00 64.21 65.05 2bqk n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bqk n GLY 37 N 0.20 0.26 2.61 5.00 0.00 -0.52 -3.00 105.19 109.73 2bqk n GLY 37 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.41 2bqk n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bqk n TYR 38 N -3.65 -1.35 -3.76 1.61 4.01 -1.20 -4.77 117.16 108.05 2bqk n TYR 38 Ca -0.03 0.17 -0.37 0.00 -0.16 0.00 0.00 57.90 57.51 2bqk n TYR 38 Cb 0.54 -4.05 -0.13 0.00 -0.31 0.00 0.00 39.34 35.40 2bqk n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2bqk s ASN 39 N -2.26 5.13 0.55 7.72 2.47 -1.16 -0.69 114.94 126.70 2bqk s ASN 39 Ca 0.10 -0.66 0.34 0.00 0.42 0.00 0.00 52.86 53.06 2bqk s ASN 39 Cb -0.05 -1.89 1.45 0.00 -1.45 0.00 0.00 41.25 39.31 2bqk s ASN 39 CO 0.13 -0.18 2.02 0.71 -3.72 0.00 0.00 177.10 176.05 2bqk h THR 40 N 5.83 0.06 -0.40 -5.21 1.35 -1.36 -3.03 112.91 110.15 2bqk h THR 40 Ca -0.32 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2bqk h THR 40 Cb 1.13 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2bqk h THR 40 CO 0.60 0.02 0.00 -2.11 -0.25 0.00 0.00 175.52 173.78 2bqk n ARG 41 N -3.13 2.50 -1.85 4.72 1.85 -1.26 -4.04 116.66 115.45 2bqk n ARG 41 Ca 0.00 -2.29 -0.41 0.00 -1.00 0.00 0.00 57.85 54.14 2bqk n ARG 41 Cb 0.29 -1.51 -0.01 0.00 -1.05 0.00 0.00 32.46 30.18 2bqk n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqk s ALA 42 N -1.44 3.66 0.00 2.89 0.00 -1.15 -4.76 121.76 120.97 2bqk s ALA 42 Ca 0.38 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2bqk s ALA 42 Cb 0.22 -3.61 -0.00 0.00 0.00 0.00 0.00 23.12 19.73 2bqk s ALA 42 CO 0.31 -0.94 -0.01 0.95 0.00 0.00 0.00 175.76 176.08 2bqk s THR 43 N -0.37 0.03 -0.11 0.00 -4.23 -1.26 -0.77 115.64 108.93 2bqk s THR 43 Ca 0.59 -0.21 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2bqk s THR 43 Cb -0.46 -0.07 0.03 0.00 1.34 0.00 0.00 72.50 73.34 2bqk s THR 43 CO 0.51 -0.11 -0.04 0.21 -0.54 0.00 0.00 174.62 174.65 2bqk s ASN 44 N -0.33 2.09 -0.12 3.99 2.47 -0.42 -4.96 114.94 117.65 2bqk s ASN 44 Ca -0.04 -0.29 -0.20 0.00 0.42 0.00 0.00 52.86 52.75 2bqk s ASN 44 Cb -0.02 -0.70 -0.04 0.00 -1.45 0.00 0.00 41.25 39.04 2bqk s ASN 44 CO -0.00 -0.16 0.58 -0.47 -3.72 0.00 0.00 177.10 173.33 2bqk s TYR 45 N 1.80 3.50 -0.70 0.43 5.04 -1.26 -0.83 117.35 125.33 2bqk s TYR 45 Ca 0.04 1.01 -0.16 0.00 -2.44 0.00 0.00 57.07 55.52 2bqk s TYR 45 Cb -0.13 -2.69 0.17 0.00 0.35 0.00 0.00 41.96 39.66 2bqk s TYR 45 CO -0.07 0.06 0.68 -0.80 -1.34 0.00 0.00 175.55 174.08 2bqk s ASN 46 N 0.83 6.48 0.50 4.32 0.01 0.57 -4.91 114.94 122.73 2bqk s ASN 46 Ca 0.30 -2.18 0.20 0.00 -0.71 0.00 0.00 52.86 50.48 2bqk s ASN 46 Cb -0.16 -2.23 1.26 0.00 0.41 0.00 0.00 41.25 40.53 2bqk s ASN 46 CO 0.13 -0.77 2.01 0.00 -1.51 0.00 0.00 177.10 176.96 2bqk h ALA 47 N 8.41 2.27 -0.63 0.60 0.00 -1.95 0.14 119.26 128.10 2bqk h ALA 47 Ca -0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2bqk h ALA 47 Cb 1.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2bqk h ALA 47 CO 0.92 -0.40 0.31 0.78 0.00 0.00 0.00 179.25 180.86 2bqk h GLY 48 N 0.13 0.96 0.00 0.00 0.00 -1.95 -3.32 103.07 98.90 2bqk h GLY 48 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2bqk h GLY 48 CO -0.03 0.44 0.00 2.09 0.00 0.00 0.00 176.54 179.05 2bqk n ASP 49 N -4.51 1.79 -1.94 0.19 5.75 -1.07 -5.01 116.55 111.74 2bqk n ASP 49 Ca 0.04 -1.81 -0.18 0.00 -0.01 0.00 0.00 54.79 52.84 2bqk n ASP 49 Cb 0.12 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 2bqk n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bqk n ARG 50 N -0.40 -1.40 -4.01 0.11 1.74 0.46 -4.74 116.66 108.41 2bqk n ARG 50 Ca 0.00 0.91 -0.23 0.00 -0.77 0.00 0.00 57.85 57.77 2bqk n ARG 50 Cb 0.21 -5.37 -0.06 0.00 -1.02 0.00 0.00 32.46 26.22 2bqk n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2bqk s SER 51 N -2.29 4.73 0.00 0.55 1.04 -1.18 -4.46 113.70 112.10 2bqk s SER 51 Ca 0.00 -0.80 0.02 0.00 0.48 0.00 0.00 55.95 55.65 2bqk s SER 51 Cb 0.00 -0.68 -0.01 0.00 0.10 0.00 0.00 66.02 65.43 2bqk s SER 51 CO 0.00 -0.40 -0.08 -0.89 0.98 0.00 0.00 173.24 172.86 2bqk s THR 52 N -2.45 0.58 -0.19 2.02 2.01 -1.26 -0.31 115.64 116.03 2bqk s THR 52 Ca 0.40 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 2bqk s THR 52 Cb -0.02 -0.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 2bqk s THR 52 CO 0.24 0.09 0.12 -1.81 -0.69 0.00 0.00 174.62 172.56 2bqk s ASP 53 N -0.38 6.13 -0.06 3.53 1.01 -0.01 -1.14 116.67 125.74 2bqk s ASP 53 Ca 0.01 0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.54 2bqk s ASP 53 Cb -0.04 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2bqk s ASP 53 CO -0.00 0.19 -0.22 -0.31 0.21 0.00 0.00 175.17 175.03 2bqk s TYR 54 N 0.31 2.51 0.00 4.23 1.51 0.37 -1.30 117.35 124.98 2bqk s TYR 54 Ca 0.07 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 2bqk s TYR 54 Cb -0.11 -1.62 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 2bqk s TYR 54 CO -0.01 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 174.68 2bqk n GLY 55 N 2.89 -1.83 0.30 0.71 0.00 0.05 -1.88 105.19 105.43 2bqk n GLY 55 Ca -0.17 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.51 2bqk n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqk h ILE 56 N 0.00 1.10 -0.52 -0.61 2.10 -1.69 -2.46 117.51 115.43 2bqk h ILE 56 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2bqk h ILE 56 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 36.29 2bqk h ILE 56 CO 0.00 0.09 0.00 0.49 -1.08 0.00 0.00 178.15 177.65 2bqk n PHE 57 N -4.48 0.69 -3.84 2.19 3.72 -1.26 -3.98 117.46 110.50 2bqk n PHE 57 Ca 0.02 -0.46 -0.37 0.00 -0.05 0.00 0.00 57.45 56.60 2bqk n PHE 57 Cb 0.06 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 2bqk n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2bqk n GLN 58 N 1.14 -0.83 -2.76 -1.08 1.13 -0.93 -4.91 117.38 109.14 2bqk n GLN 58 Ca 0.18 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.18 2bqk n GLN 58 Cb 0.53 -3.34 -0.04 0.00 0.11 0.00 0.00 30.24 27.50 2bqk n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bqk s ILE 59 N -3.44 4.59 0.07 5.09 1.01 -0.79 -4.52 121.20 123.22 2bqk s ILE 59 Ca 0.43 2.00 -0.27 0.00 0.00 0.00 0.00 60.65 62.81 2bqk s ILE 59 Cb -0.20 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 2bqk s ILE 59 CO 0.91 0.30 0.86 0.21 0.00 0.00 0.00 174.94 177.22 2bqk s ASN 60 N 0.15 7.35 0.38 3.58 3.84 -1.26 -0.48 114.94 128.49 2bqk s ASN 60 Ca 0.46 1.61 0.28 0.00 0.21 0.00 0.00 52.86 55.42 2bqk s ASN 60 Cb -0.23 -2.53 1.11 0.00 -0.55 0.00 0.00 41.25 39.06 2bqk s ASN 60 CO 0.28 -0.03 1.82 0.77 -2.79 0.00 0.00 177.10 177.16 2bqk h SER 61 N 5.66 0.00 0.62 -4.21 4.64 -1.34 -1.51 113.55 117.41 2bqk h SER 61 Ca -0.43 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.73 2bqk h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2bqk h SER 61 CO 0.71 0.00 -0.73 -0.09 -0.87 0.00 0.00 176.83 175.86 2bqk h ARG 62 N 0.00 0.08 0.00 4.77 2.43 -1.83 -3.41 114.38 116.43 2bqk h ARG 62 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2bqk h ARG 62 Cb 0.46 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2bqk h ARG 62 CO 0.00 0.77 -0.73 0.66 -1.51 0.00 0.00 179.97 179.16 2bqk n TYR 63 N -3.72 0.00 -0.05 2.20 4.01 -1.19 -0.36 117.16 118.05 2bqk n TYR 63 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 2bqk n TYR 63 Cb 0.70 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.64 2bqk n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2bqk n TRP 64 N -1.40 0.00 -4.10 -0.72 7.02 -0.58 0.46 117.44 118.13 2bqk n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 2bqk n TRP 64 Cb 0.22 -0.56 -0.10 0.00 -2.42 0.00 0.00 31.31 28.45 2bqk n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bqk s ASN 66 N -2.86 5.09 0.00 0.00 2.47 -0.13 -4.39 114.94 115.11 2bqk s ASN 66 Ca 0.07 -0.15 0.03 0.00 0.42 0.00 0.00 52.86 53.22 2bqk s ASN 66 Cb 0.06 -1.89 0.05 0.00 -1.45 0.00 0.00 41.25 38.02 2bqk s ASN 66 CO -0.08 0.05 0.79 -0.90 -3.72 0.00 0.00 177.10 173.24 2bqk n ASP 67 N 4.36 1.67 0.00 -4.21 5.68 -1.26 -1.79 116.55 121.00 2bqk n ASP 67 Ca -0.17 -1.50 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 2bqk n ASP 67 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2bqk n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bqk n GLY 68 N -0.01 1.60 0.95 6.12 0.00 -1.26 -4.69 105.19 107.90 2bqk n GLY 68 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2bqk n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bqk n LYS 69 N -0.77 2.17 -3.19 1.61 2.85 -1.26 -4.92 118.16 114.65 2bqk n LYS 69 Ca 0.00 -1.98 -0.40 0.00 -1.05 0.00 0.00 58.31 54.88 2bqk n LYS 69 Cb 0.00 -1.44 -0.07 0.00 -0.65 0.00 0.00 35.03 32.87 2bqk n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2bqk s THR 70 N -1.59 5.04 0.37 0.58 2.01 -1.26 -4.97 115.64 115.83 2bqk s THR 70 Ca 0.30 0.97 -0.28 0.00 0.31 0.00 0.00 61.69 62.99 2bqk s THR 70 Cb 0.19 -3.87 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 2bqk s THR 70 CO 0.28 0.07 1.40 -2.65 -0.69 0.00 0.00 174.62 173.03 2bqk n PRO 71 N 5.56 2.42 -2.65 4.92 -0.02 -1.26 -2.94 135.00 141.03 2bqk n PRO 71 Ca -0.03 0.85 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 2bqk n PRO 71 Cb 0.49 -2.53 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2bqk n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bqk n GLY 72 N 0.59 -0.50 3.86 -1.23 0.00 -1.26 -4.93 105.19 101.72 2bqk n GLY 72 Ca 0.03 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2bqk n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqk s ALA 73 N -2.57 2.87 0.04 4.61 0.00 -1.15 -4.99 121.76 120.58 2bqk s ALA 73 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 2bqk s ALA 73 Cb -0.05 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2bqk s ALA 73 CO 0.11 -1.02 0.01 0.08 0.00 0.00 0.00 175.76 174.93 2bqk s VAL 74 N -3.19 0.17 -0.56 0.00 1.01 0.51 -5.02 120.40 113.32 2bqk s VAL 74 Ca 0.57 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2bqk s VAL 74 Cb -0.12 -1.11 0.14 0.00 0.00 0.00 0.00 36.38 35.30 2bqk s VAL 74 CO 0.54 -0.78 0.32 0.21 0.00 0.00 0.00 175.10 175.38 2bqk s ASN 75 N -2.44 4.34 0.04 3.32 2.47 -1.26 -3.50 114.94 117.92 2bqk s ASN 75 Ca -0.01 -3.20 -0.20 0.00 0.42 0.00 0.00 52.86 49.87 2bqk s ASN 75 Cb 0.02 -1.56 -0.15 0.00 -1.45 0.00 0.00 41.25 38.11 2bqk s ASN 75 CO -0.07 -0.20 1.33 0.00 -3.72 0.00 0.00 177.10 174.45 2bqk h ALA 76 N 6.22 0.22 0.00 1.71 0.00 -0.13 -3.05 119.26 124.22 2bqk h ALA 76 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bqk h ALA 76 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2bqk h ALA 76 CO 0.67 0.12 0.00 0.00 0.00 0.00 0.00 179.25 180.05 2bqk h ALA 77 N 0.59 1.00 -5.31 0.00 0.00 -1.56 -3.48 119.26 110.51 2bqk h ALA 77 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 2bqk h ALA 77 Cb 0.72 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.66 2bqk h ALA 77 CO 0.04 0.00 -0.71 0.72 0.00 0.00 0.00 179.25 179.30 2bqk n HIS 78 N -3.08 -2.03 -4.14 0.00 -0.00 -1.15 -4.99 115.22 99.83 2bqk n HIS 78 Ca 0.01 0.85 -0.13 0.00 -0.00 0.00 0.00 57.72 58.44 2bqk n HIS 78 Cb 0.35 -4.70 -0.11 0.00 -0.00 0.00 0.00 29.99 25.53 2bqk n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2bqk s LEU 79 N -5.86 2.37 0.23 2.41 1.43 -1.26 -5.06 118.68 112.95 2bqk s LEU 79 Ca 0.06 -0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 52.12 2bqk s LEU 79 Cb -0.01 -0.23 -0.09 0.00 0.03 0.00 0.00 46.19 45.89 2bqk s LEU 79 CO 0.67 -0.27 0.90 -0.55 0.23 0.00 0.00 176.35 177.32 2bqk s SER 80 N -2.25 7.52 0.61 2.29 0.15 -1.26 -0.96 113.70 119.80 2bqk s SER 80 Ca 0.02 1.84 0.33 0.00 0.70 0.00 0.00 55.95 58.84 2bqk s SER 80 Cb -0.04 -2.57 1.96 0.00 -1.71 0.00 0.00 66.02 63.66 2bqk s SER 80 CO -0.01 0.13 2.26 0.00 1.20 0.00 0.00 173.24 176.83 2bqk h SER 82 N 0.00 0.90 -0.03 0.00 0.87 -1.91 -1.39 113.55 111.99 2bqk h SER 82 Ca 0.01 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2bqk h SER 82 Cb 0.07 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2bqk h SER 82 CO -0.00 0.56 0.04 0.00 -0.53 0.00 0.00 176.83 176.89 2bqk h ALA 83 N 1.52 1.54 -0.20 6.23 0.00 -1.66 -1.76 119.26 124.93 2bqk h ALA 83 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2bqk h ALA 83 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2bqk h ALA 83 CO -0.16 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.32 2bqk n LEU 84 N -3.79 1.21 -0.31 0.00 4.77 -0.52 -3.53 117.00 114.84 2bqk n LEU 84 Ca -0.02 -0.58 0.03 0.00 -0.03 0.00 0.00 56.01 55.41 2bqk n LEU 84 Cb 0.12 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2bqk n LEU 84 CO 0.27 0.29 0.56 0.18 -1.33 0.00 0.00 177.39 177.36 2bqk n LEU 85 N 0.12 2.47 -4.87 2.23 4.77 -0.66 -3.35 117.00 117.71 2bqk n LEU 85 Ca 0.10 -2.06 -0.31 0.00 -0.03 0.00 0.00 56.01 53.71 2bqk n LEU 85 Cb 0.21 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2bqk n LEU 85 CO 0.07 0.61 0.73 -1.10 -1.33 0.00 0.00 177.39 176.38 2bqk s GLN 86 N -1.11 3.22 0.21 3.23 -0.21 -1.23 -4.57 119.66 119.20 2bqk s GLN 86 Ca 0.12 0.65 0.11 0.00 0.02 0.00 0.00 55.36 56.26 2bqk s GLN 86 Cb 0.07 -2.05 0.04 0.00 1.00 0.00 0.00 33.01 32.07 2bqk s GLN 86 CO 0.07 -0.82 1.42 -0.44 -2.12 0.00 0.00 175.29 173.40 2bqk h ASP 87 N -0.50 0.00 -3.43 5.90 3.32 -1.93 -3.41 116.42 116.36 2bqk h ASP 87 Ca -0.44 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.01 2bqk h ASP 87 Cb 1.22 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 2bqk h ASP 87 CO 0.62 0.73 0.51 0.21 -1.72 0.00 0.00 179.24 179.60 2bqk s ASN 88 N -6.62 6.70 0.00 6.45 3.84 -1.26 -4.93 114.94 119.13 2bqk s ASN 88 Ca 0.02 0.68 0.11 0.00 0.21 0.00 0.00 52.86 53.88 2bqk s ASN 88 Cb 0.10 -2.44 0.41 0.00 -0.55 0.00 0.00 41.25 38.77 2bqk s ASN 88 CO 0.78 -0.72 1.30 2.30 -2.79 0.00 0.00 177.10 177.97 2bqk n ILE 89 N 5.70 0.23 -0.24 -5.21 -5.35 -1.26 -4.37 119.36 108.86 2bqk n ILE 89 Ca 0.06 -0.25 0.04 0.00 -0.27 0.00 0.00 62.75 62.32 2bqk n ILE 89 Cb 0.48 0.12 0.16 0.00 -1.74 0.00 0.00 39.64 38.66 2bqk n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bqk h ALA 90 N 3.53 0.90 -0.36 -1.28 0.00 -1.95 -0.22 119.26 119.88 2bqk h ALA 90 Ca 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2bqk h ALA 90 Cb 0.28 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2bqk h ALA 90 CO 0.00 -0.30 -0.31 -0.44 0.00 0.00 0.00 179.25 178.20 2bqk h ASP 91 N 0.30 0.90 -0.70 0.00 3.32 -1.87 -1.80 116.42 116.57 2bqk h ASP 91 Ca 0.39 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2bqk h ASP 91 Cb 0.62 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2bqk h ASP 91 CO -0.46 1.17 0.33 0.00 -1.72 0.00 0.00 179.24 178.56 2bqk h ALA 92 N 0.76 1.23 -0.24 3.45 0.00 -1.65 -0.63 119.26 122.18 2bqk h ALA 92 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2bqk h ALA 92 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2bqk h ALA 92 CO 0.08 0.59 0.01 0.28 0.00 0.00 0.00 179.25 180.20 2bqk h VAL 93 N 1.03 1.25 -0.41 0.00 2.07 -0.92 0.43 116.25 119.70 2bqk h VAL 93 Ca 0.25 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2bqk h VAL 93 Cb 0.13 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2bqk h VAL 93 CO -0.03 0.27 0.23 0.00 0.02 0.00 0.00 177.57 178.06 2bqk h ALA 94 N 0.82 1.63 -0.12 1.67 0.00 -0.88 0.66 119.26 123.04 2bqk h ALA 94 Ca 0.07 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2bqk h ALA 94 Cb 0.39 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bqk h ALA 94 CO 0.01 0.32 -0.81 0.00 0.00 0.00 0.00 179.25 178.77 2bqk h ALA 95 N 1.69 0.34 -0.49 0.00 0.00 -0.88 -2.55 119.26 117.36 2bqk h ALA 95 Ca 0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2bqk h ALA 95 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bqk h ALA 95 CO -0.03 0.70 0.06 0.00 0.00 0.00 0.00 179.25 179.99 2bqk h ALA 96 N 0.61 1.19 -0.68 0.00 0.00 -0.27 -0.97 119.26 119.14 2bqk h ALA 96 Ca -0.06 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2bqk h ALA 96 Cb 1.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2bqk h ALA 96 CO 0.16 0.54 0.17 0.87 0.00 0.00 0.00 179.25 180.99 2bqk h LYS 97 N 0.74 1.08 -0.60 0.00 1.57 -0.78 -2.65 116.57 115.94 2bqk h LYS 97 Ca 0.16 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2bqk h LYS 97 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2bqk h LYS 97 CO 0.01 0.96 0.25 -0.09 -0.57 0.00 0.00 179.45 180.01 2bqk h ARG 98 N 1.01 0.89 -0.18 3.15 9.65 -1.01 -2.82 114.38 125.07 2bqk h ARG 98 Ca 0.21 -0.16 0.04 0.00 -1.10 0.00 0.00 59.98 58.97 2bqk h ARG 98 Cb 0.36 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 2bqk h ARG 98 CO 0.00 0.75 -0.06 0.28 2.80 0.00 0.00 179.97 183.74 2bqk h VAL 99 N 0.83 0.79 0.00 0.20 2.07 -0.91 -2.57 116.25 116.66 2bqk h VAL 99 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2bqk h VAL 99 Cb 0.19 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2bqk h VAL 99 CO -0.02 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.90 2bqk n VAL 100 N -5.20 0.04 0.95 2.57 0.24 -1.02 -2.70 118.33 113.21 2bqk n VAL 100 Ca -0.03 0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.42 2bqk n VAL 100 Cb 0.13 -0.60 0.58 0.00 -1.47 0.00 0.00 33.84 32.47 2bqk n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2bqk n ARG 101 N -1.06 0.03 -2.40 7.34 1.74 -0.97 -4.30 116.66 117.05 2bqk n ARG 101 Ca 0.18 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.98 2bqk n ARG 101 Cb 0.11 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 2bqk n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bqk s ASP 102 N -3.20 6.49 0.49 0.55 1.11 -1.10 -4.98 116.67 116.04 2bqk s ASP 102 Ca 0.13 1.39 0.27 0.00 0.18 0.00 0.00 52.55 54.53 2bqk s ASP 102 Cb 0.18 -2.44 1.35 0.00 1.07 0.00 0.00 42.92 43.08 2bqk s ASP 102 CO 0.54 -0.60 1.86 1.55 1.18 0.00 0.00 175.17 179.70 2bqk h PRO 103 N 0.68 0.14 -0.21 8.23 0.13 -1.89 -1.94 132.00 137.13 2bqk h PRO 103 Ca -0.46 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2bqk h PRO 103 Cb 1.19 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2bqk h PRO 103 CO 0.62 0.09 -0.11 1.96 -0.23 0.00 0.00 178.00 180.33 2bqk h GLN 104 N 0.14 0.34 0.00 0.86 4.20 -1.91 -3.48 115.11 115.27 2bqk h GLN 104 Ca 0.47 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.10 2bqk h GLN 104 Cb 1.62 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.36 2bqk h GLN 104 CO -0.08 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 178.95 2bqk n GLY 105 N -0.81 1.54 0.24 3.46 0.00 -0.73 -2.40 105.19 106.49 2bqk n GLY 105 Ca -0.00 -0.67 0.16 0.00 0.00 0.00 0.00 46.02 45.51 2bqk n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bqk h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.36 117.51 118.72 2bqk h ILE 106 Ca 0.00 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 2bqk h ILE 106 Cb 0.00 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.36 2bqk h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 2bqk n ARG 107 N -2.74 0.14 0.31 2.19 1.74 -1.01 -3.04 116.66 114.26 2bqk n ARG 107 Ca -0.00 0.18 0.18 0.00 -0.77 0.00 0.00 57.85 57.44 2bqk n ARG 107 Cb 0.18 -1.50 0.99 0.00 -1.02 0.00 0.00 32.46 31.11 2bqk n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bqk h ALA 108 N 2.65 1.23 -2.60 7.54 0.00 -1.58 -3.37 119.26 123.12 2bqk h ALA 108 Ca 0.00 -0.02 -0.72 0.00 0.00 0.00 0.00 54.91 54.17 2bqk h ALA 108 Cb 0.18 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.75 2bqk h ALA 108 CO 0.00 0.03 -0.46 -1.58 0.00 0.00 0.00 179.25 177.24 2bqk s TRP 109 N -4.29 3.24 0.26 0.00 0.51 -1.17 -4.97 118.94 112.53 2bqk s TRP 109 Ca -0.04 -0.73 -0.01 0.00 -2.12 0.00 0.00 56.10 53.20 2bqk s TRP 109 Cb 0.13 -2.54 0.50 0.00 -0.81 0.00 0.00 33.47 30.75 2bqk s TRP 109 CO 0.50 -0.61 1.80 0.28 -0.51 0.00 0.00 176.95 178.41 2bqk h VAL 110 N 5.72 0.85 -0.82 4.03 2.07 -1.89 -0.95 116.25 125.26 2bqk h VAL 110 Ca -0.26 -0.28 0.17 0.00 0.82 0.00 0.00 66.70 67.15 2bqk h VAL 110 Cb 1.11 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 2bqk h VAL 110 CO 0.71 0.15 0.55 0.00 0.02 0.00 0.00 177.57 178.99 2bqk h ALA 111 N 1.52 2.15 -0.60 1.67 0.00 -1.94 0.16 119.26 122.23 2bqk h ALA 111 Ca 0.46 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2bqk h ALA 111 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2bqk h ALA 111 CO -0.29 -0.39 0.23 2.35 0.00 0.00 0.00 179.25 181.14 2bqk h TRP 112 N 0.41 0.92 -0.57 0.00 7.01 -1.48 -0.23 115.95 122.01 2bqk h TRP 112 Ca 0.41 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 61.31 2bqk h TRP 112 Cb 0.98 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.75 2bqk h TRP 112 CO -0.00 0.74 0.24 0.00 -2.79 0.00 0.00 178.44 176.63 2bqk h ARG 113 N 0.83 0.85 -0.25 2.65 3.08 -0.74 0.35 114.38 121.15 2bqk h ARG 113 Ca 0.20 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2bqk h ARG 113 Cb 0.22 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2bqk h ARG 113 CO -0.01 0.73 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.56 2bqk h ASN 114 N 0.78 0.56 0.00 7.04 2.35 -0.97 -3.37 115.58 121.97 2bqk h ASN 114 Ca 0.19 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2bqk h ASN 114 Cb 0.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2bqk h ASN 114 CO -0.02 0.86 0.00 -2.11 -1.65 0.00 0.00 177.43 174.51 2bqk n ARG 115 N -4.45 0.85 0.00 0.81 1.85 -0.12 -4.87 116.66 110.73 2bqk n ARG 115 Ca -0.04 -0.93 0.00 0.00 -1.00 0.00 0.00 57.85 55.88 2bqk n ARG 115 Cb 0.37 -0.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 2bqk n ARG 115 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bqk n GLN 117 N -2.40 2.47 -3.67 0.00 7.27 -0.21 -3.03 117.38 117.81 2bqk n GLN 117 Ca 0.00 0.88 -0.22 0.00 0.07 0.00 0.00 57.00 57.73 2bqk n GLN 117 Cb 0.40 -2.65 0.05 0.00 2.41 0.00 0.00 30.24 30.45 2bqk n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2bqk n ASN 118 N 2.75 -2.74 -4.14 1.69 5.03 -1.26 -4.97 115.26 111.62 2bqk n ASN 118 Ca 0.12 -0.73 -0.10 0.00 0.87 0.00 0.00 54.58 54.74 2bqk n ASN 118 Cb 0.34 -4.39 -0.10 0.00 -1.02 0.00 0.00 39.78 34.61 2bqk n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2bqk s ARG 119 N -6.01 0.99 -0.55 3.52 0.52 -1.17 -5.10 118.95 111.15 2bqk s ARG 119 Ca 0.21 -1.45 -0.27 0.00 -0.52 0.00 0.00 55.73 53.70 2bqk s ARG 119 Cb -0.10 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.66 2bqk s ARG 119 CO 0.79 -0.30 1.08 0.34 0.02 0.00 0.00 175.30 177.23 2bqk s ASP 120 N -3.06 6.43 0.00 0.23 2.15 -1.26 -4.85 116.67 116.31 2bqk s ASP 120 Ca 0.26 -0.01 0.18 0.00 0.43 0.00 0.00 52.55 53.41 2bqk s ASP 120 Cb 0.07 -2.50 0.47 0.00 -0.30 0.00 0.00 42.92 40.66 2bqk s ASP 120 CO 0.03 -1.34 1.39 1.33 -0.17 0.00 0.00 175.17 176.41 2bqk n VAL 121 N 6.51 0.88 0.00 1.11 0.24 -1.26 -4.53 118.33 121.29 2bqk n VAL 121 Ca 0.06 -0.94 0.09 0.00 -2.04 0.00 0.00 64.34 61.51 2bqk n VAL 121 Cb 0.48 0.61 0.50 0.00 -1.47 0.00 0.00 33.84 33.96 2bqk n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2bqk h ARG 122 N 3.44 0.38 -0.83 7.34 3.08 -1.93 -2.31 114.38 123.56 2bqk h ARG 122 Ca 0.00 -0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.27 2bqk h ARG 122 Cb 0.88 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 2bqk h ARG 122 CO 0.00 0.25 0.68 -0.56 -1.07 0.00 0.00 179.97 179.27 2bqk h GLN 123 N 0.39 0.00 0.00 0.04 3.07 -1.98 -1.30 115.11 115.33 2bqk h GLN 123 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.85 2bqk h GLN 123 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 2bqk h GLN 123 CO -0.04 0.00 -0.34 1.88 0.09 0.00 0.00 178.83 180.42 2bqk h TYR 124 N 0.00 0.00 0.00 0.06 0.05 -1.75 -3.30 116.97 112.03 2bqk h TYR 124 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.18 2bqk h TYR 124 Cb 1.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.49 2bqk h TYR 124 CO 0.00 0.34 0.00 1.33 -1.05 0.00 0.00 178.16 178.78 2bqk n VAL 125 N -3.40 0.76 -2.13 -2.88 0.24 -0.55 -4.83 118.33 105.53 2bqk n VAL 125 Ca 0.00 -0.88 -0.42 0.00 -2.04 0.00 0.00 64.34 61.00 2bqk n VAL 125 Cb 0.53 0.62 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 2bqk n VAL 125 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2bqk s GLN 126 N -0.76 4.30 0.00 7.34 2.00 -0.83 -2.76 119.66 128.94 2bqk s GLN 126 Ca 0.00 2.12 0.00 0.00 -2.00 0.00 0.00 55.36 55.48 2bqk s GLN 126 Cb 0.00 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.55 2bqk s GLN 126 CO 0.00 -0.48 0.00 0.41 -0.50 0.00 0.00 175.29 174.72 2bqk n GLY 127 N 3.55 0.70 0.07 2.59 0.00 -1.26 -4.91 105.19 105.94 2bqk n GLY 127 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2bqk n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bqk n GLY 129 N 1.35 -0.10 0.00 0.00 0.00 -1.26 -4.80 105.19 100.39 2bqk n GLY 129 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2bqk n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32