#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s GLN 2 N 0.00 3.60 -0.19 3.17 -1.52 -1.26 -1.93 119.66 121.53 2qex s GLN 2 Ca 0.00 -0.12 -0.10 0.00 -1.95 0.00 0.00 55.36 53.19 2qex s GLN 2 Cb 0.00 -2.77 0.07 0.00 -0.22 0.00 0.00 33.01 30.09 2qex s GLN 2 CO 0.00 0.36 0.47 1.41 -0.25 0.00 0.00 175.29 177.28 2qex s MET 3 N -3.16 0.45 0.17 2.91 -2.45 -0.63 -4.90 119.30 111.69 2qex s MET 3 Ca 0.42 0.90 -0.32 0.00 -1.25 0.00 0.00 55.69 55.44 2qex s MET 3 Cb -0.11 0.03 -0.11 0.00 1.25 0.00 0.00 34.83 35.90 2qex s MET 3 CO 0.27 -0.16 1.66 -1.25 1.05 0.00 0.00 175.02 176.59 2qex s PRO 4 N 1.52 4.17 0.60 4.11 0.04 -1.26 -0.72 135.00 143.46 2qex s PRO 4 Ca -0.09 2.47 0.32 0.00 0.04 0.00 0.00 61.00 63.74 2qex s PRO 4 Cb -0.08 -3.21 1.89 0.00 0.04 0.00 0.00 34.50 33.14 2qex s PRO 4 CO -0.14 -0.69 2.26 -0.09 0.04 0.00 0.00 177.00 178.37 2qex h ARG 5 N 7.12 0.00 -3.19 4.56 9.65 -1.74 -3.43 114.38 127.35 2qex h ARG 5 Ca -0.43 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.28 2qex h ARG 5 Cb 1.20 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.53 2qex h ARG 5 CO 0.93 0.01 -0.45 1.03 2.80 0.00 0.00 179.97 184.30 2qex s ARG 6 N -4.50 0.28 0.12 0.20 0.52 -1.26 -1.98 118.95 112.33 2qex s ARG 6 Ca -0.05 0.28 -0.26 0.00 -0.52 0.00 0.00 55.73 55.19 2qex s ARG 6 Cb 0.15 0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.82 2qex s ARG 6 CO 0.53 -0.04 0.94 -0.59 0.02 0.00 0.00 175.30 176.16 2qex s PHE 7 N 0.03 -0.18 -0.00 -0.53 -0.12 -1.00 -4.99 117.98 111.19 2qex s PHE 7 Ca -0.01 -0.09 -0.19 0.00 -0.05 0.00 0.00 56.93 56.59 2qex s PHE 7 Cb -0.02 0.62 -0.06 0.00 -0.63 0.00 0.00 43.02 42.93 2qex s PHE 7 CO 0.00 -0.77 0.54 -0.80 -0.05 0.00 0.00 175.22 174.15 2qex s ASN 8 N -2.84 6.93 -0.01 1.98 0.01 -1.26 -0.31 114.94 119.44 2qex s ASN 8 Ca 0.11 1.10 -0.29 0.00 -0.71 0.00 0.00 52.86 53.06 2qex s ASN 8 Cb -0.01 -2.34 0.10 0.00 0.41 0.00 0.00 41.25 39.42 2qex s ASN 8 CO -0.00 0.16 1.06 0.28 -1.51 0.00 0.00 177.10 177.08 2qex s THR 9 N -0.41 0.00 0.19 1.60 -1.32 -0.91 -4.96 115.64 109.84 2qex s THR 9 Ca 0.29 -0.22 -0.32 0.00 -1.21 0.00 0.00 61.69 60.23 2qex s THR 9 Cb -0.18 -1.46 -0.12 0.00 -1.51 0.00 0.00 72.50 69.24 2qex s THR 9 CO 0.16 0.00 1.73 -0.47 -2.21 0.00 0.00 174.62 173.83 2qex s TYR 10 N -2.87 2.78 -0.38 9.09 5.04 -1.26 -1.98 117.35 127.76 2qex s TYR 10 Ca 0.10 0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.93 2qex s TYR 10 Cb 0.00 -4.14 0.05 0.00 0.35 0.00 0.00 41.96 38.22 2qex s TYR 10 CO -0.04 -4.37 0.20 0.00 -1.34 0.00 0.00 175.55 170.00 2qex n PRO 12 N 4.92 0.06 -0.10 0.00 -0.04 -1.26 -0.47 135.00 138.12 2qex n PRO 12 Ca -0.11 0.52 -0.19 0.00 -0.04 0.00 0.00 63.50 63.68 2qex n PRO 12 Cb 0.45 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 2qex n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qex h HIS 13 N 0.00 0.00 -0.00 0.54 3.86 -1.95 -3.38 115.15 114.22 2qex h HIS 13 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 2qex h HIS 13 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 2qex h HIS 13 CO 0.00 1.29 -0.78 0.00 0.86 0.00 0.00 177.93 179.30 2qex n ASN 15 N -3.63 -2.47 -3.59 0.00 2.85 0.38 -5.04 115.26 103.77 2qex n ASN 15 Ca -0.01 -0.06 -0.14 0.00 -0.11 0.00 0.00 54.58 54.26 2qex n ASN 15 Cb 0.75 -1.37 -0.06 0.00 1.24 0.00 0.00 39.78 40.34 2qex n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2qex s GLU 16 N -4.81 0.81 0.30 1.20 -1.05 -1.23 -5.00 118.70 108.92 2qex s GLU 16 Ca 0.07 0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 55.16 2qex s GLU 16 Cb -0.03 0.39 -0.12 0.00 -0.44 0.00 0.00 34.13 33.93 2qex s GLU 16 CO 0.08 -0.18 1.45 0.72 0.95 0.00 0.00 175.26 178.29 2qex n HIS 17 N 1.76 2.53 -3.62 4.83 8.25 -1.26 -3.54 115.22 124.16 2qex n HIS 17 Ca -0.15 0.40 -0.10 0.00 -0.26 0.00 0.00 57.72 57.61 2qex n HIS 17 Cb 0.56 -2.50 -0.03 0.00 1.12 0.00 0.00 29.99 29.13 2qex n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2qex s GLN 18 N -1.01 1.26 -0.01 -0.41 -0.21 -0.84 -4.93 119.66 113.51 2qex s GLN 18 Ca 0.62 -0.71 -0.30 0.00 0.02 0.00 0.00 55.36 54.99 2qex s GLN 18 Cb -0.56 0.52 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 2qex s GLN 18 CO 0.54 -0.53 1.41 -2.00 -2.12 0.00 0.00 175.29 172.59 2qex s GLU 19 N -3.82 4.27 0.10 2.91 2.12 -1.26 -2.13 118.70 120.89 2qex s GLU 19 Ca 0.05 1.96 0.07 0.00 0.36 0.00 0.00 54.97 57.40 2qex s GLU 19 Cb -0.00 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2qex s GLU 19 CO -0.08 -0.60 -0.08 -1.01 -0.54 0.00 0.00 175.26 172.95 2qex s HIS 20 N 2.58 2.79 -0.13 5.30 3.76 0.58 0.39 115.29 130.56 2qex s HIS 20 Ca 0.64 -0.13 -0.03 0.00 -0.15 0.00 0.00 55.06 55.39 2qex s HIS 20 Cb -0.31 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 2qex s HIS 20 CO 0.26 0.44 -0.03 -2.00 -0.85 0.00 0.00 174.74 172.55 2qex s GLU 21 N -2.23 3.44 -0.21 1.40 2.12 0.23 -2.38 118.70 121.07 2qex s GLU 21 Ca 0.22 -0.50 -0.10 0.00 0.36 0.00 0.00 54.97 54.96 2qex s GLU 21 Cb -0.11 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 2qex s GLU 21 CO 0.15 0.38 0.13 0.08 -0.54 0.00 0.00 175.26 175.46 2qex s VAL 22 N -0.02 5.26 0.11 3.70 1.01 -0.84 -1.08 120.40 128.54 2qex s VAL 22 Ca 0.01 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2qex s VAL 22 Cb -0.13 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2qex s VAL 22 CO 0.03 0.40 -0.10 -0.70 0.00 0.00 0.00 175.10 174.72 2qex s GLU 23 N 0.68 0.90 -0.22 2.72 2.12 -1.03 -4.93 118.70 118.94 2qex s GLU 23 Ca 0.07 -1.23 -0.17 0.00 0.36 0.00 0.00 54.97 54.00 2qex s GLU 23 Cb -0.12 -0.57 -0.03 0.00 0.26 0.00 0.00 34.13 33.66 2qex s GLU 23 CO 0.01 0.08 0.48 0.15 -0.54 0.00 0.00 175.26 175.45 2qex s LYS 24 N -3.00 4.14 -0.26 4.30 1.02 -1.26 -1.60 119.74 123.08 2qex s LYS 24 Ca 0.08 0.32 -0.32 0.00 0.02 0.00 0.00 55.97 56.06 2qex s LYS 24 Cb -0.02 -3.59 -0.09 0.00 -0.52 0.00 0.00 37.83 33.61 2qex s LYS 24 CO 0.00 -0.19 2.16 0.28 -0.92 0.00 0.00 175.35 176.67 2qex n VAL 25 N 4.72 0.30 -2.88 3.17 0.31 -1.11 -4.96 118.33 117.89 2qex n VAL 25 Ca -0.06 -0.31 -0.33 0.00 -0.01 0.00 0.00 64.34 63.64 2qex n VAL 25 Cb 0.50 -2.02 -0.06 0.00 -0.91 0.00 0.00 33.84 31.35 2qex n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qex s ARG 26 N 5.94 4.12 -0.04 5.55 0.52 -1.26 -5.02 118.95 128.76 2qex s ARG 26 Ca 1.04 0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 56.90 2qex s ARG 26 Cb -0.64 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 2qex s ARG 26 CO 0.44 0.00 1.11 -1.12 0.02 0.00 0.00 175.30 175.75 2qex s SER 27 N -2.33 7.17 0.16 0.23 0.01 -1.26 -5.02 113.70 112.66 2qex s SER 27 Ca 0.59 1.73 -0.27 0.00 1.31 0.00 0.00 55.95 59.31 2qex s SER 27 Cb -0.09 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 2qex s SER 27 CO 0.17 -0.47 0.85 -0.83 0.41 0.00 0.00 173.24 173.37 2qex s GLY 28 N 1.22 2.97 0.72 3.44 0.00 -1.26 -5.03 107.32 109.39 2qex s GLY 28 Ca 0.53 0.46 -0.15 0.00 0.00 0.00 0.00 44.72 45.57 2qex s GLY 28 CO 0.23 1.09 1.19 0.50 0.00 0.00 0.00 173.10 176.11 2qex s ARG 29 N -0.80 2.23 -0.06 2.90 0.52 -1.26 -5.01 118.95 117.46 2qex s ARG 29 Ca 0.39 1.68 -0.17 0.00 -0.52 0.00 0.00 55.73 57.12 2qex s ARG 29 Cb -0.24 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 2qex s ARG 29 CO 0.28 -1.75 0.44 -0.65 0.02 0.00 0.00 175.30 173.64 2qex s GLN 30 N -3.97 4.16 0.32 3.54 -0.21 -1.26 -4.97 119.66 117.26 2qex s GLN 30 Ca 0.73 0.43 0.17 0.00 0.02 0.00 0.00 55.36 56.70 2qex s GLN 30 Cb -0.27 -3.33 0.32 0.00 1.00 0.00 0.00 33.01 30.73 2qex s GLN 30 CO 0.45 0.42 1.56 1.79 -2.12 0.00 0.00 175.29 177.39 2qex h THR 31 N 4.21 0.88 -0.90 -0.19 1.35 -2.03 -3.47 112.91 112.76 2qex h THR 31 Ca -0.46 -1.96 -0.19 0.00 -0.55 0.00 0.00 66.41 63.25 2qex h THR 31 Cb 1.20 2.23 -0.04 0.00 -1.73 0.00 0.00 68.15 69.80 2qex h THR 31 CO 0.69 0.45 -0.21 0.61 -0.25 0.00 0.00 175.52 176.81 2qex n GLY 32 N 0.82 0.53 0.02 5.82 0.00 -1.26 -4.90 105.19 106.22 2qex n GLY 32 Ca 0.01 -0.55 0.01 0.00 0.00 0.00 0.00 46.02 45.49 2qex n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qex n MET 33 N -2.31 2.37 -1.97 1.61 2.81 -1.26 -4.87 117.12 113.50 2qex n MET 33 Ca -0.10 -1.53 -0.30 0.00 -1.81 0.00 0.00 57.70 53.96 2qex n MET 33 Cb 0.45 -1.00 0.04 0.00 -0.71 0.00 0.00 33.22 32.00 2qex n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2qex s LYS 34 N -1.13 2.87 0.30 0.03 3.01 -1.26 -4.92 119.74 118.64 2qex s LYS 34 Ca 0.04 0.38 0.04 0.00 -1.01 0.00 0.00 55.97 55.43 2qex s LYS 34 Cb 0.04 -2.06 0.65 0.00 -1.01 0.00 0.00 37.83 35.45 2qex s LYS 34 CO 0.00 -0.98 1.82 2.35 0.51 0.00 0.00 175.35 179.05 2qex h TRP 35 N -0.58 1.08 -0.49 3.18 7.01 -2.00 -0.88 115.95 123.27 2qex h TRP 35 Ca -0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 2qex h TRP 35 Cb 1.25 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 2qex h TRP 35 CO 0.50 0.36 0.21 0.97 -2.79 0.00 0.00 178.44 177.69 2qex h ILE 36 N 0.88 1.18 -0.19 2.65 6.09 -2.00 -1.71 117.51 124.41 2qex h ILE 36 Ca 0.52 -0.53 -0.09 0.00 -1.37 0.00 0.00 64.86 63.39 2qex h ILE 36 Cb 0.67 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 2qex h ILE 36 CO -0.30 0.21 -0.28 0.44 -3.07 0.00 0.00 178.15 175.15 2qex h ASP 37 N 0.70 0.36 0.07 2.19 3.32 -1.51 -2.72 116.42 118.83 2qex h ASP 37 Ca 0.17 -0.12 -0.24 0.00 0.02 0.00 0.00 57.03 56.86 2qex h ASP 37 Cb 0.12 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.58 2qex h ASP 37 CO -0.02 0.63 -0.94 0.03 -1.72 0.00 0.00 179.24 177.22 2qex h ARG 38 N 0.31 0.64 -0.14 3.56 3.08 -1.23 -3.23 114.38 117.37 2qex h ARG 38 Ca 0.05 -0.63 -0.06 0.00 0.07 0.00 0.00 59.98 59.40 2qex h ARG 38 Cb 0.66 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2qex h ARG 38 CO 0.05 1.24 -0.19 0.37 -1.07 0.00 0.00 179.97 180.37 2qex h GLN 39 N 0.38 0.23 -0.34 0.04 4.15 -1.18 -1.48 115.11 116.91 2qex h GLN 39 Ca -0.09 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 2qex h GLN 39 Cb 1.58 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 29.23 2qex h GLN 39 CO 0.18 0.42 0.19 -0.09 -1.93 0.00 0.00 178.83 177.60 2qex h ARG 40 N 0.22 0.47 -0.10 1.69 2.43 -1.50 -0.55 114.38 117.03 2qex h ARG 40 Ca 0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2qex h ARG 40 Cb 0.46 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2qex h ARG 40 CO 0.03 0.39 -0.02 0.93 -1.51 0.00 0.00 179.97 179.79 2qex h GLU 41 N 0.43 0.20 0.40 0.20 5.08 -1.50 -2.86 114.58 116.53 2qex h GLU 41 Ca 0.12 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2qex h GLU 41 Cb 0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2qex h GLU 41 CO -0.02 0.50 -0.31 0.00 -1.00 0.00 0.00 179.01 178.18 2qex h ARG 42 N -0.12 -0.68 0.00 2.33 3.08 -1.14 -3.20 114.38 114.64 2qex h ARG 42 Ca 0.03 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2qex h ARG 42 Cb 0.43 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2qex h ARG 42 CO 0.01 -0.45 0.00 0.09 -1.07 0.00 0.00 179.97 178.55 2qex n ASN 43 N -5.43 0.00 -4.66 7.04 4.13 -0.23 -4.82 115.26 111.29 2qex n ASN 43 Ca -0.10 -0.64 -0.37 0.00 1.68 0.00 0.00 54.58 55.14 2qex n ASN 43 Cb 0.33 -0.10 -0.09 0.00 -1.54 0.00 0.00 39.78 38.38 2qex n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2qex s SER 44 N -2.20 6.21 0.00 6.41 0.01 -1.08 -4.93 113.70 118.12 2qex s SER 44 Ca 0.38 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2qex s SER 44 Cb 0.20 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2qex s SER 44 CO 0.38 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2qex n GLY 45 N 4.25 3.92 3.70 3.44 0.00 -1.26 -4.98 105.19 114.26 2qex n GLY 45 Ca -0.13 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2qex n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qex s ILE 46 N 0.72 2.96 0.00 -0.61 1.01 -1.26 -4.75 121.20 119.28 2qex s ILE 46 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2qex s ILE 46 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 39.13 2qex s ILE 46 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2qex n GLY 47 N 3.87 -1.43 3.77 6.18 0.00 -1.26 -4.91 105.19 111.41 2qex n GLY 47 Ca 0.15 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 2qex n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qex s ASN 48 N -4.00 6.09 -0.38 1.61 2.47 -1.26 -4.98 114.94 114.48 2qex s ASN 48 Ca 0.00 2.53 0.05 0.00 0.42 0.00 0.00 52.86 55.86 2qex s ASN 48 Cb 0.00 -2.62 0.47 0.00 -1.45 0.00 0.00 41.25 37.64 2qex s ASN 48 CO 0.00 -0.99 1.46 0.47 -3.72 0.00 0.00 177.10 174.32 2qex n ASP 49 N -0.30 5.00 0.00 -4.21 8.00 -1.26 -4.85 116.55 118.93 2qex n ASP 49 Ca 0.06 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.79 2qex n ASP 49 Cb 0.46 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 2qex n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qex n GLY 50 N -0.86 2.83 0.38 0.44 0.00 -1.26 -2.11 105.19 104.61 2qex n GLY 50 Ca 0.46 -0.17 0.16 0.00 0.00 0.00 0.00 46.02 46.47 2qex n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qex h LYS 51 N 0.00 0.56 0.00 1.61 2.10 -1.99 0.13 116.57 118.98 2qex h LYS 51 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2qex h LYS 51 Cb 0.00 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.20 2qex h LYS 51 CO 0.00 0.37 0.00 1.19 -2.00 0.00 0.00 179.45 179.01 2qex n PHE 52 N -4.61 0.00 0.46 0.07 3.01 -0.90 -1.77 117.46 113.72 2qex n PHE 52 Ca 0.21 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.72 2qex n PHE 52 Cb 0.63 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 2qex n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2qex n SER 53 N -0.54 0.85 -4.84 4.37 7.64 0.03 -4.88 113.62 116.25 2qex n SER 53 Ca 0.01 -0.92 -0.32 0.00 1.01 0.00 0.00 58.87 58.65 2qex n SER 53 Cb 0.01 0.73 0.01 0.00 -1.01 0.00 0.00 64.21 63.94 2qex n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qex s LYS 54 N -1.64 3.50 0.21 1.43 1.02 -0.73 -5.04 119.74 118.50 2qex s LYS 54 Ca 0.06 0.93 0.11 0.00 0.02 0.00 0.00 55.97 57.09 2qex s LYS 54 Cb 0.08 -2.07 -0.05 0.00 -0.52 0.00 0.00 37.83 35.28 2qex s LYS 54 CO 0.33 -0.65 -0.21 0.14 -0.92 0.00 0.00 175.35 174.04 2qex s VAL 55 N -2.88 2.26 0.05 3.17 -7.23 -1.26 -5.10 120.40 109.41 2qex s VAL 55 Ca 0.58 -2.13 -0.24 0.00 -1.81 0.00 0.00 61.98 58.38 2qex s VAL 55 Cb -0.12 -2.12 -0.13 0.00 0.56 0.00 0.00 36.38 34.57 2qex s VAL 55 CO 0.45 -0.26 0.59 -2.65 -0.31 0.00 0.00 175.10 172.92 2qex n PRO 56 N -0.01 0.00 0.00 4.82 -0.02 -1.26 -5.01 135.00 133.52 2qex n PRO 56 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 2qex n PRO 56 Cb 0.58 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.16 2qex n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qex n GLY 57 N 1.16 -3.19 0.00 -1.23 0.00 -1.26 -5.09 105.19 95.57 2qex n GLY 57 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2qex n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 58 N 0.00 5.02 2.99 -0.02 0.00 -1.26 -5.18 105.19 106.75 2qex n GLY 58 Ca 0.00 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 2qex n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qex s ASP 59 N 1.20 0.64 0.24 1.61 1.01 -1.26 -5.14 116.67 114.96 2qex s ASP 59 Ca 0.00 -0.29 -0.12 0.00 0.71 0.00 0.00 52.55 52.85 2qex s ASP 59 Cb 0.00 -0.01 -0.08 0.00 1.01 0.00 0.00 42.92 43.84 2qex s ASP 59 CO 0.00 -0.07 0.60 -0.75 0.21 0.00 0.00 175.17 175.16 2qex s LYS 60 N -0.76 3.89 0.59 8.23 2.47 -1.26 -4.98 119.74 127.92 2qex s LYS 60 Ca -0.04 0.42 0.30 0.00 -1.56 0.00 0.00 55.97 55.09 2qex s LYS 60 Cb -0.05 -2.65 1.84 0.00 -1.46 0.00 0.00 37.83 35.50 2qex s LYS 60 CO -0.00 0.31 2.26 -1.00 0.16 0.00 0.00 175.35 177.08 2qex h PRO 61 N 2.67 0.00 -2.73 4.03 0.13 -2.05 -3.42 132.00 130.64 2qex h PRO 61 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2qex h PRO 61 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.04 2qex h PRO 61 CO 0.68 0.00 -0.32 0.99 -0.23 0.00 0.00 178.00 179.12 2qex s THR 62 N -4.61 -0.02 0.27 1.56 2.01 -1.26 -5.02 115.64 108.57 2qex s THR 62 Ca -0.05 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 2qex s THR 62 Cb 0.15 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 2qex s THR 62 CO 0.54 0.03 0.46 -0.54 -0.69 0.00 0.00 174.62 174.43 2qex s LYS 63 N 1.16 3.52 0.96 4.92 -0.14 -1.26 -4.86 119.74 124.03 2qex s LYS 63 Ca -0.08 -0.33 -0.16 0.00 -1.36 0.00 0.00 55.97 54.04 2qex s LYS 63 Cb -0.08 -2.76 0.19 0.00 -1.68 0.00 0.00 37.83 33.51 2qex s LYS 63 CO -0.10 0.29 1.27 0.15 -0.76 0.00 0.00 175.35 176.21 2qex s LYS 64 N -3.76 0.66 -0.09 1.68 1.02 -1.26 -2.32 119.74 115.67 2qex s LYS 64 Ca 0.39 -0.27 -0.24 0.00 0.02 0.00 0.00 55.97 55.88 2qex s LYS 64 Cb -0.10 -1.83 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 2qex s LYS 64 CO 0.31 -2.42 0.74 0.99 -0.92 0.00 0.00 175.35 174.05 2qex s THR 65 N -3.72 5.00 -0.73 2.17 2.01 -1.01 -4.80 115.64 114.55 2qex s THR 65 Ca 0.71 1.51 -0.05 0.00 0.31 0.00 0.00 61.69 64.18 2qex s THR 65 Cb -0.06 -4.08 0.19 0.00 0.01 0.00 0.00 72.50 68.56 2qex s THR 65 CO 0.53 0.19 0.59 -0.62 -0.69 0.00 0.00 174.62 174.62 2qex s ASP 66 N 0.91 5.73 0.30 3.53 2.15 -1.26 -4.05 116.67 123.98 2qex s ASP 66 Ca 0.38 -3.01 0.11 0.00 0.43 0.00 0.00 52.55 50.47 2qex s ASP 66 Cb -0.18 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.44 2qex s ASP 66 CO 0.17 -0.37 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.88 2qex s LEU 67 N -0.30 2.64 -0.14 -1.34 1.43 -1.26 -2.75 118.68 116.96 2qex s LEU 67 Ca 0.19 -1.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 2qex s LEU 67 Cb -0.16 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 45.00 2qex s LEU 67 CO -0.06 -0.03 -0.12 -0.54 0.23 0.00 0.00 176.35 175.82 2qex s LYS 68 N -3.54 2.07 -0.42 1.70 1.02 -0.63 -4.51 119.74 115.43 2qex s LYS 68 Ca 0.31 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 55.68 2qex s LYS 68 Cb -0.03 -1.94 0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2qex s LYS 68 CO 0.16 -0.24 0.32 0.71 -0.92 0.00 0.00 175.35 175.38 2qex s TYR 69 N 1.52 3.24 -0.24 3.18 1.51 -0.71 -2.47 117.35 123.39 2qex s TYR 69 Ca 0.04 -0.65 -0.09 0.00 -1.01 0.00 0.00 57.07 55.36 2qex s TYR 69 Cb -0.13 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 2qex s TYR 69 CO -0.09 -0.63 0.13 1.03 -1.11 0.00 0.00 175.55 174.87 2qex s ARG 70 N 1.68 3.93 0.23 -0.62 0.52 -0.24 -1.58 118.95 122.86 2qex s ARG 70 Ca 0.05 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.62 2qex s ARG 70 Cb -0.20 -3.46 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 2qex s ARG 70 CO 0.09 -0.02 1.29 0.00 0.02 0.00 0.00 175.30 176.69 2qex h GLY 72 N 4.94 0.00 0.00 0.00 0.00 -0.41 -2.69 103.07 104.91 2qex h GLY 72 Ca -0.46 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 2qex h GLY 72 CO 0.74 0.00 -1.45 -2.21 0.00 0.00 0.00 176.54 173.62 2qex n GLU 73 N -3.36 0.42 0.18 4.80 2.13 -1.26 -4.62 120.64 118.92 2qex n GLU 73 Ca -0.00 0.18 0.13 0.00 0.66 0.00 0.00 57.16 58.13 2qex n GLU 73 Cb 0.38 -1.22 0.39 0.00 0.27 0.00 0.00 31.44 31.26 2qex n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qex n GLY 75 N 0.82 0.45 3.94 0.00 0.00 -1.01 -5.03 105.19 104.35 2qex n GLY 75 Ca 0.04 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2qex n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qex s LYS 76 N -1.33 3.50 0.14 1.61 1.02 -1.26 -4.75 119.74 118.67 2qex s LYS 76 Ca 0.00 -0.37 0.09 0.00 0.02 0.00 0.00 55.97 55.72 2qex s LYS 76 Cb 0.00 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 2qex s LYS 76 CO 0.00 0.27 -0.19 0.00 -0.92 0.00 0.00 175.35 174.51 2qex s ALA 77 N -2.12 2.67 0.10 5.17 0.00 -1.26 -1.76 121.76 124.56 2qex s ALA 77 Ca 0.39 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.96 2qex s ALA 77 Cb -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2qex s ALA 77 CO 0.32 0.55 -0.09 -3.38 0.00 0.00 0.00 175.76 173.16 2qex s HIS 78 N -1.29 1.02 0.19 0.00 -3.43 -0.61 -4.96 115.29 106.21 2qex s HIS 78 Ca 0.19 -0.69 0.06 0.00 -0.80 0.00 0.00 55.06 53.81 2qex s HIS 78 Cb -0.10 -0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 30.45 2qex s HIS 78 CO 0.10 -0.02 0.14 -0.51 -2.00 0.00 0.00 174.74 172.45 2qex s LEU 79 N -2.54 3.77 0.27 5.38 1.43 -1.26 -1.73 118.68 124.00 2qex s LEU 79 Ca 0.06 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2qex s LEU 79 Cb -0.02 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2qex s LEU 79 CO -0.01 0.04 0.07 -0.13 0.23 0.00 0.00 176.35 176.55 2qex s ARG 80 N -3.31 1.44 0.39 1.70 0.52 -1.26 -5.03 118.95 113.40 2qex s ARG 80 Ca 0.31 -1.77 -0.26 0.00 -0.52 0.00 0.00 55.73 53.49 2qex s ARG 80 Cb -0.09 -0.45 -0.09 0.00 0.52 0.00 0.00 34.95 34.84 2qex s ARG 80 CO 0.23 -0.23 1.16 -2.00 0.02 0.00 0.00 175.30 174.48 2qex s GLU 81 N -3.97 4.12 0.54 3.54 2.12 -1.26 -4.87 118.70 118.92 2qex s GLU 81 Ca 0.35 1.82 0.04 0.00 0.36 0.00 0.00 54.97 57.55 2qex s GLU 81 Cb 0.08 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.79 2qex s GLU 81 CO 0.13 -0.26 0.75 0.20 -0.54 0.00 0.00 175.26 175.54 2qex s GLY 82 N -1.12 1.84 -0.01 -1.50 0.00 -1.26 -4.95 107.32 100.33 2qex s GLY 82 Ca 0.56 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2qex s GLY 82 CO 0.38 -1.28 0.00 0.66 0.00 0.00 0.00 173.10 172.87 2qex s TRP 83 N -2.69 0.11 -0.05 1.90 -2.14 -1.26 -4.68 118.94 110.13 2qex s TRP 83 Ca 0.59 0.02 -0.36 0.00 2.66 0.00 0.00 56.10 59.01 2qex s TRP 83 Cb -0.09 -0.15 -0.14 0.00 -3.10 0.00 0.00 33.47 30.00 2qex s TRP 83 CO 0.38 -0.04 1.72 0.54 -2.66 0.00 0.00 176.95 176.89 2qex n ARG 84 N 3.46 1.86 -3.69 3.25 1.74 -1.26 -2.40 116.66 119.62 2qex n ARG 84 Ca -0.18 0.68 -0.13 0.00 -0.77 0.00 0.00 57.85 57.45 2qex n ARG 84 Cb 0.56 -2.45 -0.13 0.00 -1.02 0.00 0.00 32.46 29.42 2qex n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qex s ALA 85 N 2.83 -0.55 0.37 7.54 0.00 -0.98 -4.97 121.76 126.00 2qex s ALA 85 Ca 0.90 0.96 0.28 0.00 0.00 0.00 0.00 51.96 54.09 2qex s ALA 85 Cb -0.79 -0.84 1.40 0.00 0.00 0.00 0.00 23.12 22.89 2qex s ALA 85 CO 0.51 -0.44 2.04 0.78 0.00 0.00 0.00 175.76 178.65 2qex h GLY 86 N 7.79 0.00 -4.47 0.00 0.00 -1.93 -3.40 103.07 101.05 2qex h GLY 86 Ca -0.26 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.10 2qex h GLY 86 CO 0.24 0.00 0.40 -1.60 0.00 0.00 0.00 176.54 175.58 2qex s ARG 87 N -4.10 0.74 -0.05 4.80 3.52 -1.26 -5.02 118.95 117.57 2qex s ARG 87 Ca -0.02 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2qex s ARG 87 Cb 0.13 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.89 2qex s ARG 87 CO 0.59 -0.21 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.68 2qex s LEU 88 N -0.86 1.04 -0.08 -0.88 2.96 -1.26 -0.71 118.68 118.89 2qex s LEU 88 Ca -0.04 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2qex s LEU 88 Cb -0.01 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.28 2qex s LEU 88 CO 0.03 -0.11 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.29 2qex s GLU 89 N 1.33 1.10 0.46 1.98 2.02 -0.81 -4.98 118.70 119.79 2qex s GLU 89 Ca -0.05 -0.12 -0.21 0.00 0.02 0.00 0.00 54.97 54.61 2qex s GLU 89 Cb -0.13 -1.21 -0.10 0.00 0.10 0.00 0.00 34.13 32.79 2qex s GLU 89 CO -0.02 -0.20 0.99 -0.06 0.02 0.00 0.00 175.26 175.99 2qex s PHE 90 N 1.50 3.16 -0.36 1.61 0.40 -1.25 -1.60 117.98 121.44 2qex s PHE 90 Ca -0.01 1.60 -0.11 0.00 -0.60 0.00 0.00 56.93 57.81 2qex s PHE 90 Cb -0.13 -2.96 0.01 0.00 0.51 0.00 0.00 43.02 40.45 2qex s PHE 90 CO -0.04 -0.47 0.21 -0.65 0.70 0.00 0.00 175.22 174.97 2qex s GLN 91 N -3.18 3.04 0.00 0.44 -0.21 0.10 -4.85 119.66 115.01 2qex s GLN 91 Ca 0.64 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 55.09 2qex s GLN 91 Cb -0.13 -3.72 0.00 0.00 1.00 0.00 0.00 33.01 30.16 2qex s GLN 91 CO 0.17 -0.60 0.00 0.39 -2.12 0.00 0.00 175.29 173.12