#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnp s GLN 2 N 0.00 2.96 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.31 2qnp s GLN 2 Ca 0.00 -0.86 -0.03 0.00 0.05 0.00 0.00 55.36 54.52 2qnp s GLN 2 Cb 0.00 -2.64 -0.01 0.00 1.10 0.00 0.00 33.01 31.46 2qnp s GLN 2 CO 0.00 -0.24 -0.06 0.42 -0.55 0.00 0.00 175.29 174.86 2qnp s ILE 3 N 1.29 3.25 0.78 -2.34 1.01 -1.26 -5.11 121.20 118.82 2qnp s ILE 3 Ca 0.04 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 2qnp s ILE 3 Cb -0.14 -2.47 0.09 0.00 0.01 0.00 0.00 42.46 39.95 2qnp s ILE 3 CO -0.11 0.43 1.13 0.42 0.00 0.00 0.00 174.94 176.81 2qnp s THR 4 N 1.46 2.10 -0.10 2.92 -4.23 -1.26 -5.03 115.64 111.51 2qnp s THR 4 Ca 0.06 -0.12 0.14 0.00 -1.18 0.00 0.00 61.69 60.60 2qnp s THR 4 Cb -0.14 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 70.93 2qnp s THR 4 CO -0.04 0.00 1.11 0.18 -0.54 0.00 0.00 174.62 175.32 2qnp n LEU 5 N -3.21 2.06 0.25 4.79 4.77 -1.26 -4.57 117.00 119.83 2qnp n LEU 5 Ca 0.09 -2.71 0.09 0.00 -0.03 0.00 0.00 56.01 53.45 2qnp n LEU 5 Cb 0.61 -0.33 0.63 0.00 -2.33 0.00 0.00 43.42 42.00 2qnp n LEU 5 CO 0.54 0.63 0.94 -0.50 -1.33 0.00 0.00 177.39 177.67 2qnp h TRP 6 N 0.00 0.00 -2.19 -1.77 4.06 -2.06 -3.43 115.95 110.56 2qnp h TRP 6 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 2qnp h TRP 6 Cb 0.97 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.99 2qnp h TRP 6 CO 0.01 0.15 -0.63 1.14 -3.56 0.00 0.00 178.44 175.55 2qnp s GLN 7 N -4.40 1.78 0.27 0.49 -2.07 -1.26 -5.11 119.66 109.37 2qnp s GLN 7 Ca -0.03 -1.97 -0.30 0.00 -1.82 0.00 0.00 55.36 51.23 2qnp s GLN 7 Cb 0.14 -1.36 -0.11 0.00 -1.09 0.00 0.00 33.01 30.59 2qnp s GLN 7 CO 0.63 -0.04 1.61 1.03 -1.32 0.00 0.00 175.29 177.21 2qnp s ARG 8 N -3.74 4.13 -1.34 9.60 0.52 -1.26 -4.86 118.95 122.00 2qnp s ARG 8 Ca 0.34 2.56 -0.16 0.00 -0.52 0.00 0.00 55.73 57.96 2qnp s ARG 8 Cb 0.07 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.52 2qnp s ARG 8 CO 0.16 -0.65 2.12 -0.35 0.02 0.00 0.00 175.30 176.60 2qnp n PRO 9 N 2.61 2.69 -3.28 3.54 -0.04 -1.26 -4.92 135.00 134.35 2qnp n PRO 9 Ca 0.10 -2.59 -0.38 0.00 -0.04 0.00 0.00 63.50 60.59 2qnp n PRO 9 Cb 0.37 -3.28 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 2qnp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qnp s LEU 10 N 2.54 4.32 0.22 1.53 1.43 -1.26 -1.52 118.68 125.94 2qnp s LEU 10 Ca 0.50 0.93 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 2qnp s LEU 10 Cb 0.12 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2qnp s LEU 10 CO -0.03 0.03 0.01 0.68 0.23 0.00 0.00 176.35 177.27 2qnp s VAL 11 N 0.36 0.87 -0.11 -1.59 -7.23 0.01 -4.95 120.40 107.75 2qnp s VAL 11 Ca 0.28 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 2qnp s VAL 11 Cb -0.16 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 2qnp s VAL 11 CO 0.13 -0.33 0.37 -0.89 -0.31 0.00 0.00 175.10 174.07 2qnp s THR 12 N -3.53 5.21 0.31 5.32 2.01 -1.26 -0.83 115.64 122.87 2qnp s THR 12 Ca 0.28 0.72 0.10 0.00 0.31 0.00 0.00 61.69 63.10 2qnp s THR 12 Cb 0.06 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2qnp s THR 12 CO 0.08 0.43 -0.06 0.27 -0.69 0.00 0.00 174.62 174.65 2qnp s ILE 13 N 0.04 2.67 -0.07 1.82 -4.36 0.18 -1.42 121.20 120.07 2qnp s ILE 13 Ca 0.21 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 2qnp s ILE 13 Cb -0.14 -2.66 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2qnp s ILE 13 CO 0.08 -0.28 -0.10 -0.75 0.24 0.00 0.00 174.94 174.13 2qnp s LYS 14 N -3.64 1.45 -0.15 0.37 2.20 -0.27 -1.34 119.74 118.36 2qnp s LYS 14 Ca 0.33 -0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.51 2qnp s LYS 14 Cb -0.02 -1.28 0.04 0.00 -1.51 0.00 0.00 37.83 35.06 2qnp s LYS 14 CO 0.18 -0.04 0.38 -1.50 -0.36 0.00 0.00 175.35 174.01 2qnp s ILE 15 N 0.86 -0.01 -1.37 5.43 2.07 -0.46 -1.14 121.20 126.58 2qnp s ILE 15 Ca -0.11 0.03 -0.01 0.00 -1.41 0.00 0.00 60.65 59.14 2qnp s ILE 15 Cb -0.15 -0.54 0.01 0.00 0.13 0.00 0.00 42.46 41.91 2qnp s ILE 15 CO 0.01 0.01 0.12 0.61 -1.91 0.00 0.00 174.94 173.78 2qnp n GLY 16 N 3.26 -0.50 2.54 1.50 0.00 -1.26 -1.47 105.19 109.25 2qnp n GLY 16 Ca -0.16 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qnp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnp n GLY 17 N -0.99 1.29 3.49 -0.02 0.00 -1.26 -5.02 105.19 102.67 2qnp n GLY 17 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2qnp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qnp s GLN 18 N -0.15 2.42 0.11 1.61 -1.52 -0.54 -5.11 119.66 116.48 2qnp s GLN 18 Ca 0.00 -0.76 -0.23 0.00 -1.95 0.00 0.00 55.36 52.42 2qnp s GLN 18 Cb 0.00 -2.35 -0.07 0.00 -0.22 0.00 0.00 33.01 30.36 2qnp s GLN 18 CO 0.00 0.60 0.70 -0.51 -0.25 0.00 0.00 175.29 175.84 2qnp s LEU 19 N -0.96 4.55 0.05 2.90 1.43 -1.26 -1.36 118.68 124.03 2qnp s LEU 19 Ca 0.13 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2qnp s LEU 19 Cb -0.11 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2qnp s LEU 19 CO 0.02 0.20 -0.02 -0.54 0.23 0.00 0.00 176.35 176.24 2qnp s LYS 20 N -0.94 0.61 -0.08 1.70 1.02 -0.45 -4.99 119.74 116.61 2qnp s LYS 20 Ca 0.34 -1.18 -0.16 0.00 0.02 0.00 0.00 55.97 54.99 2qnp s LYS 20 Cb -0.21 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.26 2qnp s LYS 20 CO 0.23 -0.12 0.41 -2.00 -0.92 0.00 0.00 175.35 172.96 2qnp s GLU 21 N -3.81 4.15 0.04 1.68 2.12 -1.26 -0.65 118.70 120.97 2qnp s GLU 21 Ca 0.06 0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.72 2qnp s GLU 21 Cb 0.07 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 2qnp s GLU 21 CO -0.10 0.40 0.04 0.00 -0.54 0.00 0.00 175.26 175.06 2qnp s ALA 22 N -0.11 0.15 -0.19 6.30 0.00 -0.01 -4.45 121.76 123.45 2qnp s ALA 22 Ca 0.23 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 2qnp s ALA 22 Cb -0.15 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 2qnp s ALA 22 CO 0.10 -0.32 0.26 -1.17 0.00 0.00 0.00 175.76 174.63 2qnp s LEU 23 N -2.34 4.19 -0.41 0.00 2.96 0.06 -0.81 118.68 122.33 2qnp s LEU 23 Ca -0.02 0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 2qnp s LEU 23 Cb 0.01 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.41 2qnp s LEU 23 CO -0.06 0.07 1.20 -0.76 -1.32 0.00 0.00 176.35 175.47 2qnp s LEU 24 N 0.75 3.71 -0.37 -0.68 1.43 -0.58 -0.93 118.68 122.02 2qnp s LEU 24 Ca 0.14 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 2qnp s LEU 24 Cb -0.13 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2qnp s LEU 24 CO 0.04 -1.19 0.11 -0.62 0.23 0.00 0.00 176.35 174.92 2qnp s ASP 25 N 2.63 4.35 0.12 2.29 -1.08 -0.36 -4.78 116.67 119.84 2qnp s ASP 25 Ca 0.51 -2.18 0.23 0.00 -0.52 0.00 0.00 52.55 50.59 2qnp s ASP 25 Cb -0.10 -1.33 0.90 0.00 -1.46 0.00 0.00 42.92 40.92 2qnp s ASP 25 CO 0.28 -0.36 1.70 0.35 0.52 0.00 0.00 175.17 177.66 2qnp n THR 26 N 4.19 0.66 1.43 1.71 -2.24 -1.26 -1.98 114.28 116.78 2qnp n THR 26 Ca 0.03 0.08 0.14 0.00 -2.27 0.00 0.00 64.05 62.04 2qnp n THR 26 Cb 0.40 -0.86 0.66 0.00 -2.10 0.00 0.00 70.33 68.43 2qnp n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qnp n GLY 27 N 0.58 -1.03 3.59 3.38 0.00 -1.26 -4.79 105.19 105.66 2qnp n GLY 27 Ca 0.04 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2qnp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnp s ALA 28 N -2.48 3.44 0.26 4.61 0.00 -0.84 -4.98 121.76 121.77 2qnp s ALA 28 Ca 0.30 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 2qnp s ALA 28 Cb 0.20 -2.20 0.31 0.00 0.00 0.00 0.00 23.12 21.43 2qnp s ALA 28 CO 0.47 -0.24 1.82 -0.44 0.00 0.00 0.00 175.76 177.38 2qnp h ASP 29 N 7.64 0.93 -2.27 0.00 3.32 -1.86 0.26 116.42 124.43 2qnp h ASP 29 Ca -0.37 -0.14 -0.60 0.00 0.02 0.00 0.00 57.03 55.94 2qnp h ASP 29 Cb 1.17 -0.24 -0.14 0.00 0.22 0.00 0.00 39.33 40.34 2qnp h ASP 29 CO 0.63 0.84 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.43 2qnp s ASP 30 N -6.46 3.51 -0.13 6.45 1.01 -1.26 -2.41 116.67 117.37 2qnp s ASP 30 Ca -0.11 -1.05 -0.20 0.00 0.71 0.00 0.00 52.55 51.90 2qnp s ASP 30 Cb 0.16 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 2qnp s ASP 30 CO 0.82 -0.01 0.56 -0.89 0.21 0.00 0.00 175.17 175.85 2qnp s THR 31 N -2.57 5.12 -0.08 -1.27 2.01 -1.26 -3.42 115.64 114.16 2qnp s THR 31 Ca 0.30 1.10 -0.01 0.00 0.31 0.00 0.00 61.69 63.39 2qnp s THR 31 Cb -0.04 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.61 2qnp s THR 31 CO 0.14 0.25 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.61 2qnp s VAL 32 N 1.06 0.53 0.16 3.82 1.01 -0.44 -1.00 120.40 125.54 2qnp s VAL 32 Ca 0.29 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2qnp s VAL 32 Cb -0.16 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2qnp s VAL 32 CO 0.12 0.28 -0.01 -0.76 0.00 0.00 0.00 175.10 174.73 2qnp s LEU 33 N 1.88 3.29 0.66 3.92 1.43 0.47 -0.63 118.68 129.71 2qnp s LEU 33 Ca 0.04 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 2qnp s LEU 33 Cb -0.12 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2qnp s LEU 33 CO -0.06 0.10 1.18 -0.62 0.23 0.00 0.00 176.35 177.19 2qnp n GLU 34 N -0.01 0.91 -1.60 1.70 1.02 -1.26 -1.54 120.64 119.87 2qnp n GLU 34 Ca -0.10 0.37 -0.59 0.00 -0.02 0.00 0.00 57.16 56.81 2qnp n GLU 34 Cb 0.55 -2.42 -0.08 0.00 -0.02 0.00 0.00 31.44 29.47 2qnp n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qnp n GLU 35 N -1.86 0.36 -3.77 3.49 4.07 -1.26 -4.70 120.64 116.97 2qnp n GLU 35 Ca 0.15 0.13 -0.07 0.00 -0.06 0.00 0.00 57.16 57.31 2qnp n GLU 35 Cb 0.48 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 30.17 2qnp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qnp s MET 36 N 1.13 1.56 -0.19 5.31 0.23 -1.26 -5.07 119.30 121.01 2qnp s MET 36 Ca 0.93 -0.83 -0.20 0.00 -1.03 0.00 0.00 55.69 54.57 2qnp s MET 36 Cb -1.23 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 32.59 2qnp s MET 36 CO 0.61 -0.71 0.58 0.45 -2.03 0.00 0.00 175.02 173.92 2qnp s SER 37 N -2.89 6.64 0.12 -1.18 0.15 -1.26 -5.08 113.70 110.20 2qnp s SER 37 Ca 0.10 0.77 0.08 0.00 0.70 0.00 0.00 55.95 57.60 2qnp s SER 37 Cb -0.04 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2qnp s SER 37 CO 0.03 -0.21 -0.19 -0.76 1.20 0.00 0.00 173.24 173.30 2qnp s LEU 38 N 1.70 2.34 0.60 3.45 1.43 -1.26 -4.97 118.68 121.97 2qnp s LEU 38 Ca 0.27 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.51 2qnp s LEU 38 Cb -0.16 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 2qnp s LEU 38 CO 0.10 0.00 1.03 -2.16 0.23 0.00 0.00 176.35 175.55 2qnp s PRO 39 N -2.16 3.54 0.59 1.29 0.04 -1.26 -4.96 135.00 132.08 2qnp s PRO 39 Ca 0.08 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2qnp s PRO 39 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2qnp s PRO 39 CO 0.04 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2qnp n GLY 40 N -2.07 -1.84 3.87 0.56 0.00 -1.26 -4.93 105.19 99.52 2qnp n GLY 40 Ca 0.07 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 2qnp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qnp s ARG 41 N 0.00 3.80 0.25 1.61 0.52 -1.26 -5.11 118.95 118.77 2qnp s ARG 41 Ca 0.00 0.41 0.08 0.00 -0.52 0.00 0.00 55.73 55.70 2qnp s ARG 41 Cb 0.00 -2.47 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 2qnp s ARG 41 CO 0.00 0.08 -0.12 1.67 0.02 0.00 0.00 175.30 176.95 2qnp s TRP 42 N -2.18 1.93 0.18 -0.53 1.48 -1.26 -4.59 118.94 113.96 2qnp s TRP 42 Ca 0.50 -0.57 0.08 0.00 -1.06 0.00 0.00 56.10 55.05 2qnp s TRP 42 Cb -0.10 -0.97 -0.04 0.00 -1.16 0.00 0.00 33.47 31.19 2qnp s TRP 42 CO 0.27 0.40 -0.16 -1.59 -4.06 0.00 0.00 176.95 171.82 2qnp s LYS 43 N -3.65 1.27 0.40 3.25 -2.85 -0.65 -4.92 119.74 112.59 2qnp s LYS 43 Ca 0.27 -1.48 -0.23 0.00 -1.00 0.00 0.00 55.97 53.53 2qnp s LYS 43 Cb 0.00 -1.17 -0.10 0.00 -2.06 0.00 0.00 37.83 34.50 2qnp s LYS 43 CO 0.10 0.21 0.97 -1.25 0.10 0.00 0.00 175.35 175.49 2qnp s PRO 44 N -3.22 4.30 -0.09 1.78 0.04 -1.26 -0.54 135.00 136.02 2qnp s PRO 44 Ca 0.18 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.43 2qnp s PRO 44 Cb -0.03 -2.41 0.04 0.00 0.04 0.00 0.00 34.50 32.14 2qnp s PRO 44 CO 0.06 0.02 0.20 0.21 0.04 0.00 0.00 177.00 177.54 2qnp s LYS 45 N -2.75 0.17 -0.18 4.56 2.47 -0.88 -4.84 119.74 118.29 2qnp s LYS 45 Ca 0.58 0.45 -0.13 0.00 -1.56 0.00 0.00 55.97 55.31 2qnp s LYS 45 Cb -0.14 -0.12 -0.05 0.00 -1.46 0.00 0.00 37.83 36.06 2qnp s LYS 45 CO 0.19 -0.15 0.28 -1.64 0.16 0.00 0.00 175.35 174.18 2qnp s MET 46 N 1.12 4.22 0.06 4.03 -1.94 -1.26 -0.64 119.30 124.88 2qnp s MET 46 Ca -0.08 0.04 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 2qnp s MET 46 Cb -0.10 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.26 2qnp s MET 46 CO -0.07 0.18 -0.19 0.96 -0.01 0.00 0.00 175.02 175.89 2qnp s ILE 47 N 0.66 1.51 -0.10 2.53 -4.36 -0.13 -4.95 121.20 116.36 2qnp s ILE 47 Ca 0.15 -1.23 -0.12 0.00 -0.26 0.00 0.00 60.65 59.19 2qnp s ILE 47 Cb -0.13 -1.34 -0.05 0.00 1.25 0.00 0.00 42.46 42.19 2qnp s ILE 47 CO 0.04 0.08 0.28 -0.83 0.24 0.00 0.00 174.94 174.74 2qnp s GLY 48 N -1.35 2.27 0.00 6.27 0.00 -1.26 -0.78 107.32 112.47 2qnp s GLY 48 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2qnp s GLY 48 CO 0.02 0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.84 2qnp n GLY 49 N 2.52 4.25 0.32 0.20 0.00 -0.31 -4.97 105.19 107.20 2qnp n GLY 49 Ca -0.15 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.28 2qnp n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qnp h ILE 50 N 0.84 1.02 -0.08 -0.61 6.09 -2.02 -2.40 117.51 120.35 2qnp h ILE 50 Ca 0.00 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2qnp h ILE 50 Cb 0.00 0.51 0.00 0.00 0.47 0.00 0.00 36.82 37.80 2qnp h ILE 50 CO 0.00 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 175.78 2qnp n GLY 51 N -1.49 1.04 0.00 8.18 0.00 -1.26 -5.07 105.19 106.58 2qnp n GLY 51 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2qnp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qnp n GLY 52 N 1.32 0.92 3.85 -0.02 0.00 -0.90 -5.10 105.19 105.27 2qnp n GLY 52 Ca 0.14 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 2qnp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qnp s PHE 53 N -1.23 3.55 0.06 1.61 0.08 -1.26 -1.17 117.98 119.63 2qnp s PHE 53 Ca 0.00 0.97 -0.01 0.00 0.12 0.00 0.00 56.93 58.01 2qnp s PHE 53 Cb 0.00 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2qnp s PHE 53 CO 0.00 0.40 -0.02 0.96 -0.10 0.00 0.00 175.22 176.46 2qnp s ILE 54 N -1.55 0.21 -0.08 0.64 -4.36 0.04 -4.95 121.20 111.15 2qnp s ILE 54 Ca 0.40 -1.81 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 2qnp s ILE 54 Cb -0.14 -1.57 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 2qnp s ILE 54 CO 0.20 -0.94 0.32 -1.59 0.24 0.00 0.00 174.94 173.16 2qnp s LYS 55 N -3.93 3.93 0.34 0.37 0.00 -1.26 -0.96 119.74 118.23 2qnp s LYS 55 Ca 0.09 0.21 0.03 0.00 0.00 0.00 0.00 55.97 56.30 2qnp s LYS 55 Cb 0.08 -3.28 -0.04 0.00 0.00 0.00 0.00 37.83 34.59 2qnp s LYS 55 CO -0.09 0.56 0.13 0.14 0.00 0.00 0.00 175.35 176.09 2qnp s VAL 56 N -0.55 0.55 -0.18 1.79 -7.23 0.18 -4.94 120.40 110.03 2qnp s VAL 56 Ca 0.20 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.23 2qnp s VAL 56 Cb -0.15 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 2qnp s VAL 56 CO 0.09 0.00 0.30 -0.13 -0.31 0.00 0.00 175.10 175.04 2qnp s ARG 57 N -3.80 4.23 -0.28 4.82 0.52 -0.75 -2.07 118.95 121.63 2qnp s ARG 57 Ca 0.32 0.08 -0.09 0.00 -0.52 0.00 0.00 55.73 55.52 2qnp s ARG 57 Cb 0.05 -3.46 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2qnp s ARG 57 CO 0.16 0.17 0.13 -1.14 0.02 0.00 0.00 175.30 174.65 2qnp s GLN 58 N 0.68 3.67 -0.14 3.54 0.74 0.30 -0.73 119.66 127.72 2qnp s GLN 58 Ca 0.16 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 2qnp s GLN 58 Cb -0.13 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 2qnp s GLN 58 CO 0.05 -0.25 -0.07 0.71 -0.55 0.00 0.00 175.29 175.18 2qnp s TYR 59 N 1.67 2.96 0.11 1.67 2.02 -0.60 -1.64 117.35 123.54 2qnp s TYR 59 Ca 0.06 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 2qnp s TYR 59 Cb -0.16 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2qnp s TYR 59 CO 0.07 -0.07 0.15 -0.51 -1.57 0.00 0.00 175.55 173.62 2qnp s ASP 60 N 0.31 5.83 -1.32 2.29 1.01 -1.26 -0.93 116.67 122.60 2qnp s ASP 60 Ca -0.06 0.04 -0.04 0.00 0.71 0.00 0.00 52.55 53.21 2qnp s ASP 60 Cb -0.15 -1.64 0.02 0.00 1.01 0.00 0.00 42.92 42.16 2qnp s ASP 60 CO 0.04 0.13 0.95 1.67 0.21 0.00 0.00 175.17 178.16 2qnp n GLN 61 N 0.05 -6.24 -3.40 8.23 7.27 -1.10 -4.91 117.38 117.28 2qnp n GLN 61 Ca -0.08 0.74 -0.38 0.00 0.07 0.00 0.00 57.00 57.36 2qnp n GLN 61 Cb 0.53 -5.61 -0.06 0.00 2.41 0.00 0.00 30.24 27.51 2qnp n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2qnp s ILE 62 N -3.44 5.12 0.02 1.69 -1.09 -0.20 -4.68 121.20 118.63 2qnp s ILE 62 Ca 0.23 0.88 -0.30 0.00 -2.23 0.00 0.00 60.65 59.22 2qnp s ILE 62 Cb -0.11 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2qnp s ILE 62 CO 0.77 0.43 1.10 -0.76 -1.23 0.00 0.00 174.94 175.25 2qnp s LEU 63 N -0.07 4.36 -0.11 2.97 1.02 -1.26 -1.43 118.68 124.17 2qnp s LEU 63 Ca 0.24 1.84 -0.09 0.00 0.02 0.00 0.00 54.13 56.14 2qnp s LEU 63 Cb -0.16 -3.57 0.03 0.00 0.02 0.00 0.00 46.19 42.51 2qnp s LEU 63 CO 0.11 -0.39 0.30 -0.51 0.02 0.00 0.00 176.35 175.88 2qnp s ILE 64 N 1.13 -0.01 -0.11 -0.59 2.07 -0.52 -4.45 121.20 118.72 2qnp s ILE 64 Ca 0.55 0.03 -0.02 0.00 -1.41 0.00 0.00 60.65 59.80 2qnp s ILE 64 Cb -0.25 -0.42 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 2qnp s ILE 64 CO 0.28 0.01 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.70 2qnp s GLU 65 N 0.40 3.20 -0.20 3.50 2.02 -0.29 -0.61 118.70 126.71 2qnp s GLU 65 Ca -0.02 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.53 2qnp s GLU 65 Cb -0.04 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.41 2qnp s GLU 65 CO -0.02 0.55 -0.10 0.42 0.02 0.00 0.00 175.26 176.13 2qnp s ILE 66 N -0.46 1.62 -1.43 -1.63 1.01 0.07 -1.11 121.20 119.27 2qnp s ILE 66 Ca 0.08 -1.03 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 2qnp s ILE 66 Cb -0.12 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.68 2qnp s ILE 66 CO 0.02 0.14 0.65 0.00 0.00 0.00 0.00 174.94 175.75 2qnp n GLY 68 N -1.43 2.30 3.64 0.00 0.00 -1.26 -5.00 105.19 103.43 2qnp n GLY 68 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2qnp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qnp s HIS 69 N -2.71 3.31 0.24 1.61 4.02 0.54 -5.03 115.29 117.28 2qnp s HIS 69 Ca 0.00 0.82 -0.30 0.00 1.02 0.00 0.00 55.06 56.61 2qnp s HIS 69 Cb 0.00 -2.80 -0.09 0.00 -1.02 0.00 0.00 32.58 28.67 2qnp s HIS 69 CO 0.00 -0.26 1.12 0.15 1.02 0.00 0.00 174.74 176.77 2qnp s LYS 70 N 2.23 4.60 0.09 1.40 1.02 -1.26 -0.75 119.74 127.07 2qnp s LYS 70 Ca 0.26 1.80 -0.03 0.00 0.02 0.00 0.00 55.97 58.02 2qnp s LYS 70 Cb -0.16 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2qnp s LYS 70 CO 0.09 0.11 0.07 0.00 -0.92 0.00 0.00 175.35 174.71 2qnp s ALA 71 N -0.73 0.39 -0.16 5.17 0.00 0.22 -4.93 121.76 121.72 2qnp s ALA 71 Ca 0.47 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 2qnp s ALA 71 Cb -0.32 0.53 0.08 0.00 0.00 0.00 0.00 23.12 23.42 2qnp s ALA 71 CO 0.39 -0.46 0.30 0.42 0.00 0.00 0.00 175.76 176.41 2qnp s ILE 72 N -3.95 -0.46 0.00 0.00 1.01 -1.26 -1.44 121.20 115.10 2qnp s ILE 72 Ca 0.12 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2qnp s ILE 72 Cb 0.07 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2qnp s ILE 72 CO -0.06 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2qnp n GLY 73 N 5.36 0.62 3.71 6.18 0.00 -0.51 -4.81 105.19 115.74 2qnp n GLY 73 Ca -0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2qnp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qnp s THR 74 N -2.08 4.88 -0.12 2.61 2.01 -1.26 -1.03 115.64 120.65 2qnp s THR 74 Ca 0.00 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.92 2qnp s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2qnp s THR 74 CO 0.00 0.20 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.25 2qnp s VAL 75 N 0.85 1.77 0.13 3.82 1.01 -0.10 -4.57 120.40 123.31 2qnp s VAL 75 Ca 0.48 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 2qnp s VAL 75 Cb -0.20 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.54 2qnp s VAL 75 CO 0.26 0.49 0.40 -0.76 0.00 0.00 0.00 175.10 175.49 2qnp s LEU 76 N 0.88 4.28 -0.08 3.92 1.43 -0.17 -1.55 118.68 127.39 2qnp s LEU 76 Ca -0.07 0.69 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 2qnp s LEU 76 Cb -0.15 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.83 2qnp s LEU 76 CO -0.01 0.08 -0.13 -0.69 0.23 0.00 0.00 176.35 175.82 2qnp s VAL 77 N -1.59 1.27 -0.10 -1.59 1.01 0.09 -0.39 120.40 119.09 2qnp s VAL 77 Ca 0.39 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2qnp s VAL 77 Cb -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.09 2qnp s VAL 77 CO 0.22 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2qnp n GLY 78 N 3.96 -1.18 2.41 4.51 0.00 -0.59 -1.82 105.19 112.48 2qnp n GLY 78 Ca -0.21 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2qnp n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qnp n PRO 79 N -0.01 3.51 -2.72 1.61 -0.04 -1.26 -3.98 135.00 132.11 2qnp n PRO 79 Ca 0.00 -2.29 -0.35 0.00 -0.04 0.00 0.00 63.50 60.81 2qnp n PRO 79 Cb 0.00 -2.91 -0.06 0.00 -0.04 0.00 0.00 33.50 30.49 2qnp n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qnp s THR 80 N 2.40 4.11 0.47 0.52 -1.32 -1.26 -4.96 115.64 115.61 2qnp s THR 80 Ca 0.65 1.56 0.14 0.00 -1.21 0.00 0.00 61.69 62.82 2qnp s THR 80 Cb 0.17 -3.77 0.23 0.00 -1.51 0.00 0.00 72.50 67.62 2qnp s THR 80 CO -0.07 -0.05 2.06 1.55 -2.21 0.00 0.00 174.62 175.90 2qnp h PRO 81 N 2.53 0.08 -2.97 7.08 0.13 -1.96 -3.44 132.00 133.44 2qnp h PRO 81 Ca -0.48 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2qnp h PRO 81 Cb 1.20 -0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 2qnp h PRO 81 CO 0.63 0.14 -0.11 0.54 -0.23 0.00 0.00 178.00 178.97 2qnp s VAL 82 N -4.93 0.05 0.08 1.56 0.11 -1.26 -5.12 120.40 110.89 2qnp s VAL 82 Ca -0.05 -0.43 -0.35 0.00 -2.93 0.00 0.00 61.98 58.21 2qnp s VAL 82 Cb 0.16 -0.91 -0.15 0.00 -1.53 0.00 0.00 36.38 33.96 2qnp s VAL 82 CO 0.69 -0.24 1.54 0.59 -3.33 0.00 0.00 175.10 174.36 2qnp n ASN 83 N 0.63 2.62 -4.08 3.54 5.03 -1.26 -4.82 115.26 116.92 2qnp n ASN 83 Ca -0.19 1.08 -0.28 0.00 0.87 0.00 0.00 54.58 56.07 2qnp n ASN 83 Cb 0.59 -1.33 -0.17 0.00 -1.02 0.00 0.00 39.78 37.86 2qnp n ASN 83 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qnp s ILE 84 N 1.27 1.48 -0.40 2.41 1.01 0.20 -0.76 121.20 126.42 2qnp s ILE 84 Ca 0.83 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 2qnp s ILE 84 Cb -0.79 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 40.36 2qnp s ILE 84 CO 0.44 0.43 0.32 -0.63 0.00 0.00 0.00 174.94 175.50 2qnp s ILE 85 N 0.70 5.23 0.19 2.92 -1.09 -0.11 -1.32 121.20 127.72 2qnp s ILE 85 Ca -0.13 -0.49 0.03 0.00 -2.23 0.00 0.00 60.65 57.83 2qnp s ILE 85 Cb -0.16 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 36.84 2qnp s ILE 85 CO 0.03 -0.26 0.24 0.61 -1.23 0.00 0.00 174.94 174.33 2qnp n GLY 86 N 5.13 2.12 0.25 6.18 0.00 -1.22 -1.22 105.19 116.44 2qnp n GLY 86 Ca -0.11 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.83 2qnp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qnp h ARG 87 N 0.00 0.00 -0.80 1.61 3.08 -0.80 -1.46 114.38 116.02 2qnp h ARG 87 Ca -0.10 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.99 2qnp h ARG 87 Cb 0.42 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.42 2qnp h ARG 87 CO 0.14 0.05 0.51 -2.95 -1.07 0.00 0.00 179.97 176.65 2qnp h ASN 88 N 0.00 0.83 0.45 7.04 -1.07 -1.75 0.10 115.58 121.18 2qnp h ASN 88 Ca -0.00 -0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.07 2qnp h ASN 88 Cb 0.09 -0.18 -0.05 0.00 -2.07 0.00 0.00 38.32 36.12 2qnp h ASN 88 CO 0.01 0.57 -1.74 0.18 0.07 0.00 0.00 177.43 176.51 2qnp n LEU 89 N -4.60 1.04 -0.32 6.14 4.77 -0.82 -3.16 117.00 120.05 2qnp n LEU 89 Ca 0.10 0.39 0.01 0.00 -0.03 0.00 0.00 56.01 56.47 2qnp n LEU 89 Cb 0.10 0.04 0.14 0.00 -2.33 0.00 0.00 43.42 41.37 2qnp n LEU 89 CO 0.33 0.44 1.21 -0.07 -1.33 0.00 0.00 177.39 177.97 2qnp h LEU 90 N 0.01 0.89 -0.48 2.23 3.38 -1.18 -2.03 115.31 118.13 2qnp h LEU 90 Ca -0.30 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 2qnp h LEU 90 Cb 2.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2qnp h LEU 90 CO 0.08 0.58 0.19 0.74 0.09 0.00 0.00 178.44 180.12 2qnp h THR 91 N 1.03 1.21 -0.89 0.22 2.02 -1.06 -0.53 112.91 114.91 2qnp h THR 91 Ca 0.38 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2qnp h THR 91 Cb 0.13 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 2qnp h THR 91 CO -0.16 0.24 0.55 -0.61 0.37 0.00 0.00 175.52 175.91 2qnp h GLN 92 N 0.64 1.20 -0.06 6.66 4.15 -1.40 -1.50 115.11 124.80 2qnp h GLN 92 Ca 0.16 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2qnp h GLN 92 Cb 0.20 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.63 2qnp h GLN 92 CO -0.01 0.83 0.00 0.44 -1.93 0.00 0.00 178.83 178.16 2qnp n ILE 93 N -4.37 0.07 -1.87 2.39 -5.35 -0.81 -4.92 119.36 104.52 2qnp n ILE 93 Ca 0.10 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 2qnp n ILE 93 Cb 0.05 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 2qnp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qnp n GLY 94 N 0.97 0.46 3.77 3.28 0.00 -0.56 -5.04 105.19 108.06 2qnp n GLY 94 Ca 0.16 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 2qnp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qnp s THR 96 N -0.76 1.39 -0.03 0.00 -4.23 -1.26 -4.63 115.64 106.12 2qnp s THR 96 Ca 0.37 -2.11 -0.10 0.00 -1.18 0.00 0.00 61.69 58.66 2qnp s THR 96 Cb -0.22 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 2qnp s THR 96 CO 0.25 -0.49 0.29 -0.76 -0.54 0.00 0.00 174.62 173.38 2qnp s LEU 97 N -3.31 4.42 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.62 2qnp s LEU 97 Ca 0.24 0.72 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 2qnp s LEU 97 Cb 0.03 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.82 2qnp s LEU 97 CO 0.07 0.33 0.06 0.20 0.23 0.00 0.00 176.35 177.25 2qnp s ASN 98 N -1.20 -0.04 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.56 2qnp s ASN 98 Ca 0.22 0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.64 2qnp s ASN 98 Cb -0.14 0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 2qnp s ASN 98 CO 0.11 -0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.79