#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmp s GLN 2 N 0.00 3.25 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.61 2qmp s GLN 2 Ca 0.00 -0.70 -0.03 0.00 0.05 0.00 0.00 55.36 54.67 2qmp s GLN 2 Cb 0.00 -2.82 -0.01 0.00 1.10 0.00 0.00 33.01 31.28 2qmp s GLN 2 CO 0.00 -0.15 -0.05 0.42 -0.55 0.00 0.00 175.29 174.95 2qmp s ILE 3 N 1.29 3.32 0.77 -2.34 1.01 -1.26 -5.11 121.20 118.88 2qmp s ILE 3 Ca 0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 2qmp s ILE 3 Cb -0.14 -2.50 0.09 0.00 0.01 0.00 0.00 42.46 39.92 2qmp s ILE 3 CO -0.05 0.43 1.11 0.42 0.00 0.00 0.00 174.94 176.85 2qmp s THR 4 N 1.40 2.14 -0.14 2.92 -4.23 -1.26 -5.04 115.64 111.44 2qmp s THR 4 Ca 0.05 -0.17 0.18 0.00 -1.18 0.00 0.00 61.69 60.57 2qmp s THR 4 Cb -0.14 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.06 2qmp s THR 4 CO -0.03 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.43 2qmp n LEU 5 N -3.15 2.66 0.09 4.79 4.77 -1.26 -4.62 117.00 120.28 2qmp n LEU 5 Ca 0.09 -3.06 0.01 0.00 -0.03 0.00 0.00 56.01 53.03 2qmp n LEU 5 Cb 0.60 -0.45 0.34 0.00 -2.33 0.00 0.00 43.42 41.59 2qmp n LEU 5 CO 0.52 0.70 0.86 -0.50 -1.33 0.00 0.00 177.39 177.64 2qmp h TRP 6 N 0.38 0.32 -1.58 -1.77 4.06 -2.06 -3.43 115.95 111.87 2qmp h TRP 6 Ca 0.00 -0.04 -0.62 0.00 2.06 0.00 0.00 58.89 60.29 2qmp h TRP 6 Cb 1.08 -0.09 -0.12 0.00 -1.00 0.00 0.00 29.16 29.03 2qmp h TRP 6 CO 0.10 0.45 -0.58 1.14 -3.56 0.00 0.00 178.44 175.99 2qmp s GLN 7 N -4.69 2.01 0.22 0.49 -2.07 -1.26 -5.11 119.66 109.26 2qmp s GLN 7 Ca -0.06 -2.08 -0.32 0.00 -1.82 0.00 0.00 55.36 51.08 2qmp s GLN 7 Cb 0.15 -1.69 -0.12 0.00 -1.09 0.00 0.00 33.01 30.26 2qmp s GLN 7 CO 0.75 -0.08 1.65 0.54 -1.32 0.00 0.00 175.29 176.83 2qmp n ARG 8 N -1.03 2.60 -1.41 9.60 1.74 -1.26 -4.86 116.66 122.04 2qmp n ARG 8 Ca -0.05 0.93 -0.41 0.00 -0.77 0.00 0.00 57.85 57.56 2qmp n ARG 8 Cb 0.67 -2.74 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 2qmp n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qmp n PRO 9 N 3.36 2.40 -2.98 5.56 -0.04 -1.26 -4.92 135.00 137.11 2qmp n PRO 9 Ca 0.14 -2.21 -0.40 0.00 -0.04 0.00 0.00 63.50 60.99 2qmp n PRO 9 Cb 0.34 -3.05 -0.04 0.00 -0.04 0.00 0.00 33.50 30.70 2qmp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qmp s LEU 10 N 1.49 4.34 0.27 1.53 1.43 -1.26 -1.35 118.68 125.13 2qmp s LEU 10 Ca 0.52 1.30 0.04 0.00 -1.03 0.00 0.00 54.13 54.96 2qmp s LEU 10 Cb 0.14 -3.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.12 2qmp s LEU 10 CO -0.01 -0.12 0.01 0.68 0.23 0.00 0.00 176.35 177.13 2qmp s VAL 11 N 0.72 1.18 -0.05 -1.59 -7.23 0.12 -4.94 120.40 108.61 2qmp s VAL 11 Ca 0.40 -2.04 -0.19 0.00 -1.81 0.00 0.00 61.98 58.34 2qmp s VAL 11 Cb -0.19 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.21 2qmp s VAL 11 CO 0.20 -0.22 0.53 -0.89 -0.31 0.00 0.00 175.10 174.41 2qmp s THR 12 N -3.32 5.04 0.28 5.32 2.01 -1.26 -0.80 115.64 122.91 2qmp s THR 12 Ca 0.31 1.08 0.11 0.00 0.31 0.00 0.00 61.69 63.50 2qmp s THR 12 Cb 0.06 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2qmp s THR 12 CO 0.11 0.40 -0.11 0.27 -0.69 0.00 0.00 174.62 174.60 2qmp s ILE 13 N 0.05 2.86 -0.08 1.82 -4.36 0.35 -1.51 121.20 120.33 2qmp s ILE 13 Ca 0.28 -2.19 0.03 0.00 -0.26 0.00 0.00 60.65 58.50 2qmp s ILE 13 Cb -0.17 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 41.01 2qmp s ILE 13 CO 0.14 -0.38 -0.16 -0.75 0.24 0.00 0.00 174.94 174.03 2qmp s LYS 14 N -3.58 2.15 -0.13 0.37 2.20 0.52 -1.34 119.74 119.93 2qmp s LYS 14 Ca 0.31 -0.56 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 2qmp s LYS 14 Cb -0.05 -1.74 0.04 0.00 -1.51 0.00 0.00 37.83 34.57 2qmp s LYS 14 CO 0.17 0.04 0.33 -1.50 -0.36 0.00 0.00 175.35 174.03 2qmp s ILE 15 N 0.67 -0.02 -1.44 5.43 2.07 -0.31 -1.00 121.20 126.61 2qmp s ILE 15 Ca -0.14 0.07 -0.10 0.00 -1.41 0.00 0.00 60.65 59.08 2qmp s ILE 15 Cb -0.16 -0.49 0.06 0.00 0.13 0.00 0.00 42.46 42.00 2qmp s ILE 15 CO 0.04 0.03 0.70 0.61 -1.91 0.00 0.00 174.94 174.41 2qmp n GLY 16 N 3.71 -0.50 2.63 1.50 0.00 -1.26 -1.32 105.19 109.96 2qmp n GLY 16 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2qmp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmp n GLY 17 N -1.45 0.42 3.40 -0.02 0.00 -1.26 -5.01 105.19 101.28 2qmp n GLY 17 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2qmp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qmp s GLN 18 N -0.58 2.47 0.10 1.61 -1.52 -0.43 -5.11 119.66 116.18 2qmp s GLN 18 Ca 0.00 -0.78 -0.26 0.00 -1.95 0.00 0.00 55.36 52.37 2qmp s GLN 18 Cb 0.00 -2.28 -0.06 0.00 -0.22 0.00 0.00 33.01 30.45 2qmp s GLN 18 CO 0.00 0.55 0.81 -0.51 -0.25 0.00 0.00 175.29 175.88 2qmp s LEU 19 N -0.55 4.51 0.10 2.90 1.43 -1.26 -1.16 118.68 124.64 2qmp s LEU 19 Ca 0.08 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 2qmp s LEU 19 Cb -0.11 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2qmp s LEU 19 CO 0.01 0.06 -0.06 -0.54 0.23 0.00 0.00 176.35 176.05 2qmp s LYS 20 N -0.40 0.82 -0.04 1.70 1.02 -0.45 -4.99 119.74 117.40 2qmp s LYS 20 Ca 0.39 -1.32 -0.15 0.00 0.02 0.00 0.00 55.97 54.91 2qmp s LYS 20 Cb -0.22 -0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 36.84 2qmp s LYS 20 CO 0.25 -0.02 0.39 -2.00 -0.92 0.00 0.00 175.35 173.06 2qmp s GLU 21 N -3.80 4.00 0.02 1.68 2.12 -1.26 -0.50 118.70 120.97 2qmp s GLU 21 Ca 0.11 0.35 -0.08 0.00 0.36 0.00 0.00 54.97 55.72 2qmp s GLU 21 Cb 0.05 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.16 2qmp s GLU 21 CO -0.05 0.55 0.16 0.00 -0.54 0.00 0.00 175.26 175.38 2qmp s ALA 22 N -0.61 -0.31 -0.20 6.30 0.00 0.02 -4.44 121.76 122.52 2qmp s ALA 22 Ca 0.23 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 2qmp s ALA 22 Cb -0.16 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2qmp s ALA 22 CO 0.11 -0.28 0.39 -1.17 0.00 0.00 0.00 175.76 174.81 2qmp s LEU 23 N -1.74 4.16 -0.46 0.00 2.96 0.60 -0.71 118.68 123.49 2qmp s LEU 23 Ca -0.10 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.03 2qmp s LEU 23 Cb -0.04 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.17 2qmp s LEU 23 CO -0.01 -0.06 1.40 -0.76 -1.32 0.00 0.00 176.35 175.60 2qmp s LEU 24 N 1.26 3.54 -0.40 -0.68 1.43 -0.45 -0.16 118.68 123.22 2qmp s LEU 24 Ca 0.19 0.66 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 2qmp s LEU 24 Cb -0.15 -3.41 0.11 0.00 0.03 0.00 0.00 46.19 42.77 2qmp s LEU 24 CO 0.08 -1.51 0.14 -0.62 0.23 0.00 0.00 176.35 174.67 2qmp s ASP 25 N 4.03 4.39 0.55 2.29 3.68 -0.22 -4.79 116.67 126.60 2qmp s ASP 25 Ca 0.58 -2.39 0.34 0.00 2.13 0.00 0.00 52.55 53.21 2qmp s ASP 25 Cb -0.12 -1.45 1.46 0.00 -1.45 0.00 0.00 42.92 41.36 2qmp s ASP 25 CO 0.31 -0.33 2.02 0.71 0.13 0.00 0.00 175.17 178.01 2qmp h THR 26 N 6.10 0.10 0.00 1.71 1.35 -1.94 -2.45 112.91 117.80 2qmp h THR 26 Ca -0.06 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2qmp h THR 26 Cb 0.97 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2qmp h THR 26 CO 0.56 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2qmp n GLY 27 N -0.14 -1.34 3.63 5.82 0.00 -1.26 -4.77 105.19 107.12 2qmp n GLY 27 Ca -0.00 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2qmp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qmp s ALA 28 N -2.90 3.53 0.26 4.61 0.00 -0.92 -4.97 121.76 121.37 2qmp s ALA 28 Ca 0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.19 2qmp s ALA 28 Cb 0.17 -2.24 0.32 0.00 0.00 0.00 0.00 23.12 21.38 2qmp s ALA 28 CO 0.46 -0.17 1.81 -0.44 0.00 0.00 0.00 175.76 177.41 2qmp h ASP 29 N 7.48 0.87 -3.56 0.00 3.45 -1.86 0.91 116.42 123.70 2qmp h ASP 29 Ca -0.38 -0.15 -0.54 0.00 0.43 0.00 0.00 57.03 56.39 2qmp h ASP 29 Cb 1.17 -0.23 -0.18 0.00 -0.56 0.00 0.00 39.33 39.53 2qmp h ASP 29 CO 0.65 0.83 -0.79 -1.81 -1.57 0.00 0.00 179.24 176.56 2qmp s ASP 30 N -6.52 2.74 -0.11 6.45 -0.00 -1.26 -2.22 116.67 115.74 2qmp s ASP 30 Ca -0.11 -0.85 -0.24 0.00 -0.00 0.00 0.00 52.55 51.35 2qmp s ASP 30 Cb 0.15 -0.16 -0.03 0.00 -0.00 0.00 0.00 42.92 42.88 2qmp s ASP 30 CO 0.81 -0.02 0.76 -0.89 -0.00 0.00 0.00 175.17 175.84 2qmp s THR 31 N -1.95 4.97 -0.09 -1.27 2.01 -1.26 -3.81 115.64 114.24 2qmp s THR 31 Ca 0.15 1.53 0.01 0.00 0.31 0.00 0.00 61.69 63.69 2qmp s THR 31 Cb -0.06 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.38 2qmp s THR 31 CO 0.07 0.15 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.36 2qmp s VAL 32 N 1.44 1.03 0.13 3.82 1.01 -0.56 -1.24 120.40 126.04 2qmp s VAL 32 Ca 0.38 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.10 2qmp s VAL 32 Cb -0.17 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2qmp s VAL 32 CO 0.16 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.62 2qmp s LEU 33 N 1.20 2.51 0.83 3.92 1.43 0.80 -0.62 118.68 128.75 2qmp s LEU 33 Ca -0.05 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.26 2qmp s LEU 33 Cb -0.14 -1.37 0.09 0.00 0.03 0.00 0.00 46.19 44.81 2qmp s LEU 33 CO -0.02 0.17 1.16 -0.62 0.23 0.00 0.00 176.35 177.27 2qmp n GLU 34 N 0.80 0.04 -1.57 1.70 1.02 -1.26 -1.89 120.64 119.48 2qmp n GLU 34 Ca -0.16 0.09 -0.60 0.00 -0.02 0.00 0.00 57.16 56.46 2qmp n GLU 34 Cb 0.53 -2.40 -0.08 0.00 -0.02 0.00 0.00 31.44 29.46 2qmp n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qmp n GLU 35 N -3.41 0.14 -3.67 3.49 4.07 -1.25 -4.68 120.64 115.32 2qmp n GLU 35 Ca 0.13 0.05 -0.08 0.00 -0.06 0.00 0.00 57.16 57.20 2qmp n GLU 35 Cb 0.51 -1.57 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 2qmp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qmp s MET 36 N 0.84 1.44 -0.10 5.31 0.23 -1.26 -5.07 119.30 120.70 2qmp s MET 36 Ca 0.94 -0.71 -0.22 0.00 -1.03 0.00 0.00 55.69 54.67 2qmp s MET 36 Cb -1.29 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 32.52 2qmp s MET 36 CO 0.62 -0.65 0.65 1.21 -2.03 0.00 0.00 175.02 174.82 2qmp s ASN 37 N -2.83 6.88 0.09 -1.18 2.47 -1.26 -5.08 114.94 114.03 2qmp s ASN 37 Ca 0.08 1.05 0.05 0.00 0.42 0.00 0.00 52.86 54.46 2qmp s ASN 37 Cb -0.03 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.36 2qmp s ASN 37 CO -0.02 -0.12 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.35 2qmp s LEU 38 N 0.98 2.33 0.65 3.21 1.43 -1.26 -4.98 118.68 121.04 2qmp s LEU 38 Ca 0.34 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2qmp s LEU 38 Cb -0.17 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2qmp s LEU 38 CO 0.15 -0.13 1.05 -2.16 0.23 0.00 0.00 176.35 175.49 2qmp s PRO 39 N -2.12 3.34 0.79 1.29 0.04 -1.26 -4.96 135.00 132.12 2qmp s PRO 39 Ca 0.01 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.75 2qmp s PRO 39 Cb -0.08 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2qmp s PRO 39 CO 0.02 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2qmp n GLY 40 N -2.73 -1.90 3.91 0.56 0.00 -1.26 -4.92 105.19 98.85 2qmp n GLY 40 Ca 0.06 -1.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 2qmp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qmp s ARG 41 N 0.00 3.61 0.27 1.61 0.52 -1.26 -5.11 118.95 118.59 2qmp s ARG 41 Ca 0.00 0.02 0.09 0.00 -0.52 0.00 0.00 55.73 55.32 2qmp s ARG 41 Cb 0.00 -2.59 -0.05 0.00 0.52 0.00 0.00 34.95 32.83 2qmp s ARG 41 CO 0.00 0.13 -0.14 1.67 0.02 0.00 0.00 175.30 176.97 2qmp s TRP 42 N -2.23 2.09 0.17 -0.53 1.48 -1.26 -4.62 118.94 114.04 2qmp s TRP 42 Ca 0.44 -0.49 0.05 0.00 -1.06 0.00 0.00 56.10 55.04 2qmp s TRP 42 Cb -0.10 -1.02 -0.05 0.00 -1.16 0.00 0.00 33.47 31.14 2qmp s TRP 42 CO 0.33 0.52 -0.09 -1.59 -4.06 0.00 0.00 176.95 172.06 2qmp s LYS 43 N -3.60 1.16 0.34 3.25 -2.85 -0.59 -4.92 119.74 112.54 2qmp s LYS 43 Ca 0.28 -1.52 -0.26 0.00 -1.00 0.00 0.00 55.97 53.48 2qmp s LYS 43 Cb -0.01 -0.71 -0.09 0.00 -2.06 0.00 0.00 37.83 34.96 2qmp s LYS 43 CO 0.12 0.06 1.01 -1.25 0.10 0.00 0.00 175.35 175.39 2qmp s PRO 44 N -3.75 4.44 -0.06 1.78 0.04 -1.26 -0.63 135.00 135.55 2qmp s PRO 44 Ca 0.20 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 2qmp s PRO 44 Cb 0.03 -2.76 0.02 0.00 0.04 0.00 0.00 34.50 31.82 2qmp s PRO 44 CO 0.03 0.11 0.17 0.21 0.04 0.00 0.00 177.00 177.57 2qmp s LYS 45 N -2.13 0.23 -0.18 4.56 2.20 -0.92 -4.84 119.74 118.66 2qmp s LYS 45 Ca 0.52 0.19 -0.07 0.00 -0.36 0.00 0.00 55.97 56.25 2qmp s LYS 45 Cb -0.22 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 2qmp s LYS 45 CO 0.28 -0.03 0.05 -1.64 -0.36 0.00 0.00 175.35 173.65 2qmp s MET 46 N -0.02 3.94 0.03 4.03 -1.94 -1.26 -0.51 119.30 123.56 2qmp s MET 46 Ca -0.01 -0.36 0.08 0.00 -1.71 0.00 0.00 55.69 53.69 2qmp s MET 46 Cb -0.02 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 2qmp s MET 46 CO 0.00 0.25 -0.24 0.96 -0.01 0.00 0.00 175.02 175.99 2qmp s ILE 47 N 0.41 1.93 -0.19 2.53 -4.36 -0.53 -4.97 121.20 116.02 2qmp s ILE 47 Ca 0.02 -1.24 -0.09 0.00 -0.26 0.00 0.00 60.65 59.09 2qmp s ILE 47 Cb -0.13 -1.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 2qmp s ILE 47 CO 0.01 0.35 0.10 -0.83 0.24 0.00 0.00 174.94 174.81 2qmp s GLY 48 N -1.06 1.97 0.15 6.27 0.00 -1.26 -1.06 107.32 112.33 2qmp s GLY 48 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2qmp s GLY 48 CO 0.01 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.84 2qmp n GLY 49 N 3.58 4.01 0.37 0.20 0.00 0.14 -4.96 105.19 108.53 2qmp n GLY 49 Ca -0.16 -2.25 -0.00 0.00 0.00 0.00 0.00 46.02 43.61 2qmp n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qmp h ILE 50 N 1.08 1.18 -0.01 -0.61 6.09 -2.03 -2.85 117.51 120.36 2qmp h ILE 50 Ca -0.12 -0.43 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 2qmp h ILE 50 Cb 0.37 -0.19 0.00 0.00 0.47 0.00 0.00 36.82 37.47 2qmp h ILE 50 CO 0.20 0.23 -0.22 0.61 -3.07 0.00 0.00 178.15 175.90 2qmp n GLY 51 N -1.37 -0.33 0.00 8.18 0.00 -1.26 -5.06 105.19 105.35 2qmp n GLY 51 Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2qmp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmp n GLY 52 N 1.32 0.70 3.88 -0.02 0.00 -1.08 -5.10 105.19 104.89 2qmp n GLY 52 Ca 0.13 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 2qmp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qmp s PHE 53 N -1.29 3.53 0.08 1.61 0.08 -1.26 0.26 117.98 120.99 2qmp s PHE 53 Ca 0.00 0.66 0.02 0.00 0.12 0.00 0.00 56.93 57.73 2qmp s PHE 53 Cb 0.00 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2qmp s PHE 53 CO 0.00 0.49 -0.08 0.96 -0.10 0.00 0.00 175.22 176.49 2qmp s ILE 54 N -1.50 0.72 0.02 0.64 -4.36 -0.22 -4.97 121.20 111.54 2qmp s ILE 54 Ca 0.36 -1.58 -0.21 0.00 -0.26 0.00 0.00 60.65 58.96 2qmp s ILE 54 Cb -0.13 -1.25 -0.06 0.00 1.25 0.00 0.00 42.46 42.27 2qmp s ILE 54 CO 0.21 -0.62 0.62 -0.54 0.24 0.00 0.00 174.94 174.84 2qmp s LYS 55 N -2.82 4.33 0.16 0.37 1.02 -1.26 -1.45 119.74 120.09 2qmp s LYS 55 Ca 0.03 0.79 0.03 0.00 0.02 0.00 0.00 55.97 56.84 2qmp s LYS 55 Cb -0.02 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2qmp s LYS 55 CO -0.02 0.42 -0.04 0.14 -0.92 0.00 0.00 175.35 174.94 2qmp s VAL 56 N -0.40 0.85 -0.20 3.17 -7.23 0.33 -4.75 120.40 112.18 2qmp s VAL 56 Ca 0.32 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 2qmp s VAL 56 Cb -0.19 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2qmp s VAL 56 CO 0.19 -0.59 0.35 -0.13 -0.31 0.00 0.00 175.10 174.60 2qmp s ARG 57 N -3.85 4.17 -0.31 4.82 0.52 -0.08 -2.18 118.95 122.04 2qmp s ARG 57 Ca 0.21 0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 2qmp s ARG 57 Cb 0.05 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 2qmp s ARG 57 CO 0.02 0.01 0.33 -1.14 0.02 0.00 0.00 175.30 174.53 2qmp s GLN 58 N 1.18 3.75 -0.18 3.54 0.74 0.20 -0.79 119.66 128.10 2qmp s GLN 58 Ca 0.17 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.25 2qmp s GLN 58 Cb -0.14 -3.74 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 2qmp s GLN 58 CO 0.07 -0.39 -0.04 0.71 -0.55 0.00 0.00 175.29 175.09 2qmp s TYR 59 N 1.97 2.99 0.20 1.67 1.51 -0.15 -1.54 117.35 123.99 2qmp s TYR 59 Ca 0.11 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2qmp s TYR 59 Cb -0.16 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 2qmp s TYR 59 CO 0.11 -0.22 0.35 -0.51 -1.11 0.00 0.00 175.55 174.16 2qmp s ASP 60 N 0.78 6.34 -1.33 2.29 -0.00 -1.26 -0.20 116.67 123.30 2qmp s ASP 60 Ca -0.01 0.22 -0.03 0.00 -0.00 0.00 0.00 52.55 52.73 2qmp s ASP 60 Cb -0.15 -1.93 0.01 0.00 -0.00 0.00 0.00 42.92 40.86 2qmp s ASP 60 CO 0.02 -0.02 0.83 1.67 -0.00 0.00 0.00 175.17 177.67 2qmp n GLN 61 N -0.86 -5.52 -3.57 8.23 7.27 -1.12 -4.89 117.38 116.92 2qmp n GLN 61 Ca -0.07 0.67 -0.37 0.00 0.07 0.00 0.00 57.00 57.30 2qmp n GLN 61 Cb 0.55 -5.40 -0.06 0.00 2.41 0.00 0.00 30.24 27.74 2qmp n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2qmp s ILE 62 N -3.53 5.24 -0.05 1.69 -1.09 0.16 -4.71 121.20 118.90 2qmp s ILE 62 Ca 0.15 0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 58.88 2qmp s ILE 62 Cb -0.07 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2qmp s ILE 62 CO 0.79 0.49 1.09 -0.76 -1.23 0.00 0.00 174.94 175.32 2qmp s LEU 63 N -0.28 4.29 -0.13 2.97 2.01 -1.26 -1.23 118.68 125.04 2qmp s LEU 63 Ca 0.19 1.70 -0.09 0.00 0.01 0.00 0.00 54.13 55.94 2qmp s LEU 63 Cb -0.14 -3.56 0.04 0.00 0.01 0.00 0.00 46.19 42.54 2qmp s LEU 63 CO 0.07 -0.46 0.34 -0.51 1.01 0.00 0.00 176.35 176.80 2qmp s ILE 64 N 1.80 -0.02 -0.16 -0.59 2.07 -0.58 -4.48 121.20 119.24 2qmp s ILE 64 Ca 0.53 0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 2qmp s ILE 64 Cb -0.22 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 2qmp s ILE 64 CO 0.22 0.03 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.56 2qmp s GLU 65 N 0.82 3.69 -0.20 3.50 2.12 -0.17 -0.38 118.70 128.08 2qmp s GLU 65 Ca -0.05 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 54.80 2qmp s GLU 65 Cb -0.06 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.41 2qmp s GLU 65 CO -0.06 0.28 -0.11 0.42 -0.54 0.00 0.00 175.26 175.25 2qmp s ILE 66 N 0.29 1.68 -1.59 -3.70 1.01 0.64 -0.35 121.20 119.17 2qmp s ILE 66 Ca -0.02 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 2qmp s ILE 66 Cb -0.14 -1.75 0.10 0.00 0.01 0.00 0.00 42.46 40.68 2qmp s ILE 66 CO 0.02 0.17 0.65 0.00 0.00 0.00 0.00 174.94 175.79 2qmp n GLY 68 N -1.66 2.19 3.67 0.00 0.00 -1.26 -5.02 105.19 103.12 2qmp n GLY 68 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2qmp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qmp s HIS 69 N -3.23 3.37 0.15 1.61 4.02 0.13 -5.06 115.29 116.29 2qmp s HIS 69 Ca 0.00 0.60 -0.29 0.00 1.02 0.00 0.00 55.06 56.38 2qmp s HIS 69 Cb 0.00 -2.51 -0.07 0.00 -1.02 0.00 0.00 32.58 28.99 2qmp s HIS 69 CO 0.00 0.00 0.93 0.15 1.02 0.00 0.00 174.74 176.84 2qmp s LYS 70 N 1.26 4.72 0.09 1.40 1.02 -1.26 -0.26 119.74 126.71 2qmp s LYS 70 Ca 0.18 1.41 0.02 0.00 0.02 0.00 0.00 55.97 57.61 2qmp s LYS 70 Cb -0.15 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2qmp s LYS 70 CO 0.08 0.33 -0.07 0.00 -0.92 0.00 0.00 175.35 174.77 2qmp s ALA 71 N -0.43 0.95 -0.18 5.17 0.00 0.49 -4.85 121.76 122.90 2qmp s ALA 71 Ca 0.44 -1.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 2qmp s ALA 71 Cb -0.24 0.15 0.07 0.00 0.00 0.00 0.00 23.12 23.11 2qmp s ALA 71 CO 0.30 -0.22 0.14 0.42 0.00 0.00 0.00 175.76 176.40 2qmp s ILE 72 N -3.49 -0.18 0.00 0.00 1.01 -1.26 -1.53 121.20 115.74 2qmp s ILE 72 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2qmp s ILE 72 Cb 0.04 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2qmp s ILE 72 CO -0.05 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.27 2qmp n GLY 73 N 5.30 1.66 3.71 6.18 0.00 -0.37 -4.75 105.19 116.93 2qmp n GLY 73 Ca -0.06 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2qmp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qmp s THR 74 N -2.64 4.67 -0.11 2.61 2.01 -1.26 -0.67 115.64 120.26 2qmp s THR 74 Ca 0.00 1.95 0.02 0.00 0.31 0.00 0.00 61.69 63.97 2qmp s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2qmp s THR 74 CO 0.00 0.17 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.23 2qmp s VAL 75 N 0.89 1.66 -0.01 3.82 1.01 0.72 -4.55 120.40 123.93 2qmp s VAL 75 Ca 0.53 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2qmp s VAL 75 Cb -0.23 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2qmp s VAL 75 CO 0.29 0.47 0.28 -0.76 0.00 0.00 0.00 175.10 175.38 2qmp s LEU 76 N 0.81 4.39 -0.10 3.92 1.43 -0.37 -0.98 118.68 127.79 2qmp s LEU 76 Ca -0.10 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2qmp s LEU 76 Cb -0.16 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.51 2qmp s LEU 76 CO 0.01 0.29 -0.19 -0.69 0.23 0.00 0.00 176.35 176.00 2qmp s VAL 77 N -1.21 1.71 -0.55 -1.59 1.01 0.03 -0.14 120.40 119.65 2qmp s VAL 77 Ca 0.25 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2qmp s VAL 77 Cb -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2qmp s VAL 77 CO 0.13 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2qmp n GLY 78 N 3.83 -1.27 3.58 4.51 0.00 -0.79 -0.90 105.19 114.15 2qmp n GLY 78 Ca -0.20 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 2qmp n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qmp s PRO 79 N -1.02 3.16 -0.01 1.61 0.04 -1.26 -3.93 135.00 133.58 2qmp s PRO 79 Ca 0.00 -1.53 -0.01 0.00 0.04 0.00 0.00 61.00 59.50 2qmp s PRO 79 Cb 0.00 -5.37 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 2qmp s PRO 79 CO 0.00 -3.22 0.09 -0.08 0.04 0.00 0.00 177.00 173.83 2qmp s THR 80 N 8.01 4.80 0.35 1.26 -1.32 -1.26 -5.01 115.64 122.46 2qmp s THR 80 Ca 0.62 -0.36 0.07 0.00 -1.21 0.00 0.00 61.69 60.81 2qmp s THR 80 Cb 0.01 -3.19 0.31 0.00 -1.51 0.00 0.00 72.50 68.13 2qmp s THR 80 CO 0.11 0.37 1.90 -0.65 -2.21 0.00 0.00 174.62 174.14 2qmp h PRO 81 N 4.14 0.73 -3.52 7.08 0.11 -1.98 -3.44 132.00 135.12 2qmp h PRO 81 Ca -0.49 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 2qmp h PRO 81 Cb 1.18 -0.16 -0.16 0.00 0.11 0.00 0.00 31.00 31.97 2qmp h PRO 81 CO 0.62 0.48 -0.31 0.14 -0.21 0.00 0.00 178.00 178.73 2qmp s VAL 82 N -5.70 0.10 0.20 3.15 -7.23 -1.26 -5.11 120.40 104.55 2qmp s VAL 82 Ca -0.10 -0.86 -0.32 0.00 -1.81 0.00 0.00 61.98 58.89 2qmp s VAL 82 Cb 0.21 -1.06 -0.11 0.00 0.56 0.00 0.00 36.38 35.98 2qmp s VAL 82 CO 0.78 -0.48 1.64 0.20 -0.31 0.00 0.00 175.10 176.94 2qmp s ASN 83 N -2.35 6.46 -0.07 4.85 0.01 -1.26 -4.77 114.94 117.81 2qmp s ASN 83 Ca -0.02 2.78 0.03 0.00 -0.71 0.00 0.00 52.86 54.94 2qmp s ASN 83 Cb 0.01 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2qmp s ASN 83 CO -0.06 -0.90 -0.14 0.27 -1.51 0.00 0.00 177.10 174.75 2qmp s ILE 84 N 1.00 1.27 -0.39 0.60 -4.36 0.21 -0.30 121.20 119.23 2qmp s ILE 84 Ca 0.71 -0.56 -0.16 0.00 -0.26 0.00 0.00 60.65 60.38 2qmp s ILE 84 Cb -0.47 -1.14 0.01 0.00 1.25 0.00 0.00 42.46 42.11 2qmp s ILE 84 CO 0.34 0.38 0.41 -0.63 0.24 0.00 0.00 174.94 175.68 2qmp s ILE 85 N 0.57 5.12 0.61 8.37 -1.09 0.78 -1.50 121.20 134.05 2qmp s ILE 85 Ca -0.14 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 2qmp s ILE 85 Cb -0.16 -3.95 0.11 0.00 -1.58 0.00 0.00 42.46 36.88 2qmp s ILE 85 CO 0.04 -0.29 0.83 0.61 -1.23 0.00 0.00 174.94 174.91 2qmp n GLY 86 N 5.04 1.08 0.26 6.18 0.00 -1.25 -1.06 105.19 115.44 2qmp n GLY 86 Ca -0.08 -2.08 0.09 0.00 0.00 0.00 0.00 46.02 43.94 2qmp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qmp h ARG 87 N 0.00 0.00 -0.76 1.61 3.08 -0.76 -1.10 114.38 116.45 2qmp h ARG 87 Ca -0.28 0.00 0.12 0.00 0.07 0.00 0.00 59.98 59.89 2qmp h ARG 87 Cb 1.09 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 2qmp h ARG 87 CO 0.32 0.00 0.50 -2.95 -1.07 0.00 0.00 179.97 176.77 2qmp h ASN 88 N 0.00 0.51 0.00 7.04 -1.07 -1.71 -1.38 115.58 118.98 2qmp h ASN 88 Ca 0.00 0.02 -0.34 0.00 0.07 0.00 0.00 56.30 56.05 2qmp h ASN 88 Cb 0.01 -0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 36.11 2qmp h ASN 88 CO -0.00 0.29 -2.32 0.18 0.07 0.00 0.00 177.43 175.65 2qmp n LEU 89 N -4.50 0.00 -0.36 6.14 4.77 -0.74 -4.06 117.00 118.25 2qmp n LEU 89 Ca 0.14 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 2qmp n LEU 89 Cb 0.42 0.46 0.18 0.00 -2.33 0.00 0.00 43.42 42.16 2qmp n LEU 89 CO 0.32 0.46 1.26 -0.07 -1.33 0.00 0.00 177.39 178.03 2qmp h LEU 90 N 0.00 1.01 -1.00 2.23 3.38 -1.05 -1.58 115.31 118.30 2qmp h LEU 90 Ca -0.51 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.45 2qmp h LEU 90 Cb 2.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 2qmp h LEU 90 CO 0.03 0.63 0.36 0.71 0.09 0.00 0.00 178.44 180.26 2qmp h THR 91 N 1.14 1.24 -0.17 0.22 1.35 -1.44 -1.18 112.91 114.07 2qmp h THR 91 Ca 0.44 -0.66 -0.04 0.00 -0.55 0.00 0.00 66.41 65.60 2qmp h THR 91 Cb 0.22 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 2qmp h THR 91 CO -0.19 0.28 -0.07 1.56 -0.25 0.00 0.00 175.52 176.85 2qmp h GLN 92 N 1.07 0.25 -0.20 4.72 4.20 -1.45 -2.43 115.11 121.27 2qmp h GLN 92 Ca 0.26 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2qmp h GLN 92 Cb 0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2qmp h GLN 92 CO -0.03 0.34 0.00 0.44 -0.67 0.00 0.00 178.83 178.90 2qmp n ILE 93 N -4.32 0.25 -2.22 2.54 -5.35 -0.92 -4.94 119.36 104.40 2qmp n ILE 93 Ca -0.00 -0.43 -0.04 0.00 -0.27 0.00 0.00 62.75 62.00 2qmp n ILE 93 Cb 0.23 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2qmp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qmp n GLY 94 N 1.22 0.29 3.74 3.28 0.00 -0.92 -5.02 105.19 107.79 2qmp n GLY 94 Ca 0.17 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 2qmp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qmp s THR 96 N -0.44 0.56 -0.08 0.00 -4.23 -1.26 -4.67 115.64 105.51 2qmp s THR 96 Ca 0.43 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 2qmp s THR 96 Cb -0.24 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 2qmp s THR 96 CO 0.29 -0.75 0.22 -0.76 -0.54 0.00 0.00 174.62 173.08 2qmp s LEU 97 N -3.06 4.41 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.88 2qmp s LEU 97 Ca 0.15 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2qmp s LEU 97 Cb 0.06 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 44.05 2qmp s LEU 97 CO -0.03 0.38 0.01 0.20 0.23 0.00 0.00 176.35 177.14 2qmp s ASN 98 N -1.10 0.11 0.00 2.29 0.01 -1.26 -5.29 114.94 109.70 2qmp s ASN 98 Ca 0.18 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 2qmp s ASN 98 Cb -0.13 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.46 2qmp s ASN 98 CO 0.07 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.81