#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9p h GLN 2 N 0.00 1.01 -0.17 0.54 1.08 -2.03 -1.58 115.11 113.96 1q9p h GLN 2 Ca 0.00 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.08 1q9p h GLN 2 Cb 0.00 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 1q9p h GLN 2 CO 0.00 0.67 -0.15 0.82 -0.95 0.00 0.00 178.83 179.22 1q9p h ILE 3 N 1.04 1.20 -3.46 2.54 2.04 -2.12 -3.42 117.51 115.32 1q9p h ILE 3 Ca 0.29 -0.87 -0.68 0.00 1.00 0.00 0.00 64.86 64.60 1q9p h ILE 3 Cb -0.11 1.23 -0.18 0.00 -0.74 0.00 0.00 36.82 37.03 1q9p h ILE 3 CO -0.06 0.27 -0.66 -0.89 0.00 0.00 0.00 178.15 176.81 1q9p s THR 4 N -4.69 4.01 -2.69 -0.27 2.01 -0.60 -4.99 115.64 108.42 1q9p s THR 4 Ca -0.06 -0.36 0.25 0.00 0.31 0.00 0.00 61.69 61.84 1q9p s THR 4 Cb 0.15 -2.68 0.37 0.00 0.01 0.00 0.00 72.50 70.35 1q9p s THR 4 CO 0.74 0.59 1.47 0.00 -0.69 0.00 0.00 174.62 176.72 1q9p n LEU 5 N 2.37 2.44 -4.69 4.42 -0.00 -1.26 -4.66 117.00 115.61 1q9p n LEU 5 Ca -0.18 -0.87 -0.35 0.00 -0.00 0.00 0.00 56.01 54.61 1q9p n LEU 5 Cb 0.53 -0.04 -0.09 0.00 -0.00 0.00 0.00 43.42 43.82 1q9p n LEU 5 CO 0.28 0.44 -0.23 0.26 -0.00 0.00 0.00 177.39 178.14 1q9p s TRP 6 N -1.91 3.32 -0.02 1.47 0.52 -1.26 -5.09 118.94 115.97 1q9p s TRP 6 Ca 0.33 0.20 -0.01 0.00 0.02 0.00 0.00 56.10 56.64 1q9p s TRP 6 Cb 0.20 -2.04 0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1q9p s TRP 6 CO 0.31 0.31 0.05 0.21 0.02 0.00 0.00 176.95 177.84 1q9p s LYS 7 N 0.00 0.01 0.58 4.98 2.47 -1.26 -5.02 119.74 121.50 1q9p s LYS 7 Ca 0.07 0.17 -0.20 0.00 -1.56 0.00 0.00 55.97 54.44 1q9p s LYS 7 Cb -0.12 -0.15 -0.04 0.00 -1.46 0.00 0.00 37.83 36.07 1q9p s LYS 7 CO 0.01 -0.11 1.28 1.03 0.16 0.00 0.00 175.35 177.72 1q9p s ARG 8 N 0.73 2.99 0.49 4.03 0.52 -1.26 -4.95 118.95 121.50 1q9p s ARG 8 Ca -0.06 2.04 -0.23 0.00 -0.52 0.00 0.00 55.73 56.97 1q9p s ARG 8 Cb -0.08 -2.08 -0.06 0.00 0.52 0.00 0.00 34.95 33.25 1q9p s ARG 8 CO -0.02 -1.25 1.25 -1.25 0.02 0.00 0.00 175.30 174.05 1q9p s PRO 9 N -3.12 3.54 0.28 3.54 0.04 -1.26 -5.02 135.00 133.00 1q9p s PRO 9 Ca 0.75 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 63.63 1q9p s PRO 9 Cb -0.36 -2.38 -0.08 0.00 0.04 0.00 0.00 34.50 31.72 1q9p s PRO 9 CO 0.41 -0.79 0.68 -0.51 0.04 0.00 0.00 177.00 176.83 1q9p s LEU 10 N -3.17 4.13 -0.14 -3.56 1.43 -1.26 -5.07 118.68 111.04 1q9p s LEU 10 Ca 0.66 1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1q9p s LEU 10 Cb -0.34 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 1q9p s LEU 10 CO 0.41 -0.13 0.04 0.68 0.23 0.00 0.00 176.35 177.57 1q9p s VAL 11 N -1.87 4.59 0.18 -1.59 -7.23 -1.26 -5.11 120.40 108.12 1q9p s VAL 11 Ca 0.50 -0.12 0.08 0.00 -1.81 0.00 0.00 61.98 60.63 1q9p s VAL 11 Cb -0.11 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 1q9p s VAL 11 CO 0.19 0.53 -0.15 0.42 -0.31 0.00 0.00 175.10 175.77 1q9p s THR 12 N -0.16 1.69 0.22 5.32 -4.23 -1.26 -4.08 115.64 113.14 1q9p s THR 12 Ca 0.06 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.59 1q9p s THR 12 Cb -0.12 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 1q9p s THR 12 CO 0.02 -0.52 -0.20 0.27 -0.54 0.00 0.00 174.62 173.65 1q9p s ILE 13 N -2.68 2.20 -0.08 2.99 -4.36 -1.03 -4.11 121.20 114.12 1q9p s ILE 13 Ca 0.19 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.41 1q9p s ILE 13 Cb -0.02 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.58 1q9p s ILE 13 CO 0.06 -0.34 -0.11 -0.54 0.24 0.00 0.00 174.94 174.25 1q9p s LYS 14 N -3.18 1.67 -0.16 0.37 1.02 -0.91 -2.43 119.74 116.12 1q9p s LYS 14 Ca 0.24 -0.37 -0.01 0.00 0.02 0.00 0.00 55.97 55.85 1q9p s LYS 14 Cb -0.05 -1.49 0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1q9p s LYS 14 CO 0.11 -0.08 -0.01 0.42 -0.92 0.00 0.00 175.35 174.86 1q9p s ILE 15 N 1.03 0.80 0.00 2.17 1.01 -1.03 -2.38 121.20 122.81 1q9p s ILE 15 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1q9p s ILE 15 Cb -0.15 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1q9p s ILE 15 CO -0.01 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.57 1q9p n GLY 16 N 4.97 0.62 0.00 6.18 0.00 -1.26 -2.30 105.19 113.40 1q9p n GLY 16 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1q9p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 17 N -2.00 1.03 3.77 -0.02 0.00 -1.26 -5.09 105.19 101.62 1q9p n GLY 17 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1q9p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q9p s GLN 18 N -0.48 2.94 -0.22 1.61 -1.52 -0.97 -5.10 119.66 115.92 1q9p s GLN 18 Ca 0.00 -0.62 -0.10 0.00 -1.95 0.00 0.00 55.36 52.69 1q9p s GLN 18 Cb 0.00 -2.77 -0.05 0.00 -0.22 0.00 0.00 33.01 29.97 1q9p s GLN 18 CO 0.00 0.59 0.14 -0.51 -0.25 0.00 0.00 175.29 175.27 1q9p s LEU 19 N -2.15 4.15 0.08 2.90 1.43 -1.26 -2.46 118.68 121.37 1q9p s LEU 19 Ca 0.27 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1q9p s LEU 19 Cb -0.12 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 1q9p s LEU 19 CO 0.19 0.12 -0.05 -0.54 0.23 0.00 0.00 176.35 176.31 1q9p s LYS 20 N 0.71 0.74 0.04 1.70 1.02 -1.02 -5.05 119.74 117.87 1q9p s LYS 20 Ca 0.08 -1.29 0.04 0.00 0.02 0.00 0.00 55.97 54.82 1q9p s LYS 20 Cb -0.12 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 1q9p s LYS 20 CO 0.01 -0.07 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.13 1q9p s GLU 21 N -3.88 2.55 -0.01 1.68 0.41 -1.26 -2.47 118.70 115.71 1q9p s GLU 21 Ca 0.10 -0.77 -0.10 0.00 -0.41 0.00 0.00 54.97 53.79 1q9p s GLU 21 Cb 0.07 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1q9p s GLU 21 CO -0.07 0.58 0.20 0.00 -0.49 0.00 0.00 175.26 175.48 1q9p s ALA 22 N -1.13 -0.49 -0.01 5.21 0.00 -1.26 -4.59 121.76 119.49 1q9p s ALA 22 Ca 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.25 1q9p s ALA 22 Cb -0.11 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1q9p s ALA 22 CO 0.12 -0.21 0.08 -0.51 0.00 0.00 0.00 175.76 175.24 1q9p s LEU 23 N -1.21 3.91 -0.18 0.00 1.02 -0.99 -4.76 118.68 116.47 1q9p s LEU 23 Ca -0.13 0.15 -0.16 0.00 0.02 0.00 0.00 54.13 54.02 1q9p s LEU 23 Cb -0.06 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 1q9p s LEU 23 CO 0.02 0.27 0.40 -0.22 0.02 0.00 0.00 176.35 176.85 1q9p s LEU 24 N -1.72 4.20 -0.32 1.79 2.96 -1.26 -2.27 118.68 122.05 1q9p s LEU 24 Ca 0.23 0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 54.72 1q9p s LEU 24 Cb -0.12 -2.53 0.10 0.00 0.50 0.00 0.00 46.19 44.14 1q9p s LEU 24 CO 0.14 -0.03 0.11 -0.62 -1.32 0.00 0.00 176.35 174.62 1q9p s ASP 25 N 0.86 4.04 0.54 3.68 2.15 -0.99 -4.94 116.67 122.01 1q9p s ASP 25 Ca 0.20 -1.77 0.32 0.00 0.43 0.00 0.00 52.55 51.74 1q9p s ASP 25 Cb -0.14 -0.93 1.48 0.00 -0.30 0.00 0.00 42.92 43.03 1q9p s ASP 25 CO 0.08 -0.40 2.04 0.74 -0.17 0.00 0.00 175.17 177.46 1q9p h THR 26 N 6.38 0.23 0.00 1.71 2.02 -1.97 -2.10 112.91 119.17 1q9p h THR 26 Ca -0.12 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1q9p h THR 26 Cb 1.01 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1q9p h THR 26 CO 0.47 0.07 0.00 1.23 0.37 0.00 0.00 175.52 177.66 1q9p h GLY 27 N 1.44 0.00 -6.68 2.16 0.00 -1.92 -3.43 103.07 94.64 1q9p h GLY 27 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1q9p h GLY 27 CO 0.01 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.97 1q9p s ALA 28 N -3.40 3.34 -0.02 3.60 0.00 -0.79 -4.98 121.76 119.52 1q9p s ALA 28 Ca 0.05 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 1q9p s ALA 28 Cb 0.07 -2.03 -0.31 0.00 0.00 0.00 0.00 23.12 20.85 1q9p s ALA 28 CO 0.60 -0.10 0.80 -0.44 0.00 0.00 0.00 175.76 176.62 1q9p h ASP 29 N 7.34 0.63 -4.15 0.00 3.32 -1.83 -3.18 116.42 118.55 1q9p h ASP 29 Ca -0.37 -0.84 -0.46 0.00 0.02 0.00 0.00 57.03 55.37 1q9p h ASP 29 Cb 1.17 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.53 1q9p h ASP 29 CO 0.65 1.70 0.37 -1.81 -1.72 0.00 0.00 179.24 178.42 1q9p s ASP 30 N -7.31 6.66 -0.11 6.45 1.01 -1.26 0.20 116.67 122.31 1q9p s ASP 30 Ca -0.13 1.63 0.03 0.00 0.71 0.00 0.00 52.55 54.80 1q9p s ASP 30 Cb 0.05 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.46 1q9p s ASP 30 CO 0.88 -0.56 -0.22 -0.89 0.21 0.00 0.00 175.17 174.59 1q9p s THR 31 N -2.46 2.24 -0.04 -1.27 2.01 -1.26 -3.87 115.64 110.99 1q9p s THR 31 Ca 0.60 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1q9p s THR 31 Cb -0.10 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1q9p s THR 31 CO 0.26 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.98 1q9p s VAL 32 N 0.41 0.66 -0.05 3.82 1.01 -0.96 -3.65 120.40 121.64 1q9p s VAL 32 Ca -0.16 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1q9p s VAL 32 Cb -0.17 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1q9p s VAL 32 CO 0.07 0.24 -0.25 -0.63 0.00 0.00 0.00 175.10 174.53 1q9p s ILE 33 N 0.67 2.05 0.92 2.22 1.01 0.38 -0.82 121.20 127.62 1q9p s ILE 33 Ca -0.10 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.35 1q9p s ILE 33 Cb -0.13 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.66 1q9p s ILE 33 CO 0.01 0.57 0.56 -1.84 0.00 0.00 0.00 174.94 174.24 1q9p n GLU 34 N 2.81 -0.23 -3.26 2.79 0.28 -0.69 -2.40 120.64 119.94 1q9p n GLU 34 Ca -0.17 -0.02 -0.39 0.00 -0.16 0.00 0.00 57.16 56.42 1q9p n GLU 34 Cb 0.52 -1.95 -0.06 0.00 1.43 0.00 0.00 31.44 31.38 1q9p n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1q9p s GLU 35 N -3.71 4.25 0.00 3.44 2.12 -0.56 -4.67 118.70 119.57 1q9p s GLU 35 Ca 0.60 0.70 0.00 0.00 0.36 0.00 0.00 54.97 56.62 1q9p s GLU 35 Cb -0.23 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1q9p s GLU 35 CO 0.64 0.47 0.00 -1.33 -0.54 0.00 0.00 175.26 174.51 1q9p n MET 36 N 2.36 -0.87 0.00 4.30 2.81 -1.26 -5.01 117.12 119.45 1q9p n MET 36 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 1q9p n MET 36 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1q9p n MET 36 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1q9p n SER 37 N 0.50 0.00 -1.46 7.83 3.41 -1.26 -4.68 113.62 117.96 1q9p n SER 37 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1q9p n SER 37 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1q9p n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q9p n LEU 38 N 0.00 -1.09 -4.72 1.04 -0.00 -1.26 -4.71 117.00 106.25 1q9p n LEU 38 Ca 0.00 0.26 -0.42 0.00 -0.00 0.00 0.00 56.01 55.84 1q9p n LEU 38 Cb 0.00 -0.30 -0.00 0.00 -0.00 0.00 0.00 43.42 43.12 1q9p n LEU 38 CO 0.00 -1.52 0.97 -0.81 -0.00 0.00 0.00 177.39 176.03 1q9p n PRO 39 N 0.48 2.29 -3.02 1.47 -0.04 -1.26 -4.95 135.00 129.97 1q9p n PRO 39 Ca 0.03 0.80 -0.41 0.00 -0.04 0.00 0.00 63.50 63.88 1q9p n PRO 39 Cb 0.15 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 1q9p n PRO 39 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1q9p s GLY 40 N -0.26 1.77 0.00 0.55 0.00 -1.26 -5.04 107.32 103.08 1q9p s GLY 40 Ca 0.55 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1q9p s GLY 40 CO 0.63 1.60 0.00 -2.13 0.00 0.00 0.00 173.10 173.20 1q9p n ARG 41 N 5.91 0.00 -2.76 2.90 0.63 -1.26 -5.03 116.66 117.05 1q9p n ARG 41 Ca 0.02 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.96 1q9p n ARG 41 Cb 0.48 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.40 1q9p n ARG 41 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1q9p s TRP 42 N 0.00 -0.36 -0.66 -0.14 -0.11 -1.26 -5.10 118.94 111.31 1q9p s TRP 42 Ca 0.00 0.03 -0.00 0.00 1.22 0.00 0.00 56.10 57.35 1q9p s TRP 42 Cb 0.00 0.07 0.17 0.00 -1.50 0.00 0.00 33.47 32.20 1q9p s TRP 42 CO 0.00 -0.25 0.47 0.21 -4.62 0.00 0.00 176.95 172.76 1q9p s LYS 43 N 1.86 2.55 -0.80 5.86 2.47 -1.26 -5.00 119.74 125.43 1q9p s LYS 43 Ca 0.15 -2.79 -0.31 0.00 -1.56 0.00 0.00 55.97 51.47 1q9p s LYS 43 Cb 0.04 -3.64 -0.17 0.00 -1.46 0.00 0.00 37.83 32.60 1q9p s LYS 43 CO -0.14 -1.19 2.56 -2.30 0.16 0.00 0.00 175.35 174.44 1q9p n PRO 44 N 3.00 0.35 -4.17 4.03 -0.02 -1.26 -2.51 135.00 134.42 1q9p n PRO 44 Ca 0.11 0.02 -0.18 0.00 -2.02 0.00 0.00 63.50 61.43 1q9p n PRO 44 Cb 0.36 -2.09 -0.16 0.00 -0.02 0.00 0.00 33.50 31.60 1q9p n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1q9p s LYS 45 N 8.49 0.63 0.04 -0.52 2.20 -0.72 -4.98 119.74 124.88 1q9p s LYS 45 Ca 1.23 -0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 56.67 1q9p s LYS 45 Cb -0.95 -0.65 -0.02 0.00 -1.51 0.00 0.00 37.83 34.70 1q9p s LYS 45 CO 0.44 0.01 0.06 0.00 -0.36 0.00 0.00 175.35 175.49 1q9p s MET 46 N 0.47 0.56 -0.17 4.03 0.23 -1.26 0.22 119.30 123.38 1q9p s MET 46 Ca -0.06 -0.82 -0.00 0.00 -1.03 0.00 0.00 55.69 53.78 1q9p s MET 46 Cb -0.09 0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.42 1q9p s MET 46 CO -0.00 -0.13 -0.15 0.42 -2.03 0.00 0.00 175.02 173.13 1q9p s ILE 47 N -2.72 2.63 0.00 3.16 1.01 -0.57 -4.93 121.20 119.78 1q9p s ILE 47 Ca -0.04 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1q9p s ILE 47 Cb -0.01 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.34 1q9p s ILE 47 CO -0.05 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1q9p n GLY 48 N 4.23 5.89 7.00 6.18 0.00 -1.26 0.82 105.19 128.05 1q9p n GLY 48 Ca -0.19 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1q9p n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 49 N 3.21 2.57 3.33 -0.02 0.00 -1.26 -4.10 105.19 108.93 1q9p n GLY 49 Ca 0.00 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1q9p n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q9p s ILE 50 N 0.00 2.81 0.00 -0.61 1.01 -1.26 -4.52 121.20 118.63 1q9p s ILE 50 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1q9p s ILE 50 Cb 0.00 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1q9p s ILE 50 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1q9p n GLY 51 N 3.51 0.63 3.47 6.18 0.00 -1.26 -5.04 105.19 112.68 1q9p n GLY 51 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1q9p n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q9p s GLY 52 N -1.26 -0.51 0.00 -0.02 0.00 -1.26 -5.03 107.32 99.24 1q9p s GLY 52 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1q9p s GLY 52 CO 0.00 0.08 0.00 0.33 0.00 0.00 0.00 173.10 173.51 1q9p n PHE 53 N -0.38 0.00 -4.13 1.90 7.35 0.24 -3.98 117.46 118.46 1q9p n PHE 53 Ca -0.15 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.39 1q9p n PHE 53 Cb 0.64 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.36 1q9p n PHE 53 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1q9p s ILE 54 N 0.00 0.86 -0.19 -2.13 2.07 -0.84 -4.96 121.20 116.00 1q9p s ILE 54 Ca 0.00 -1.30 -0.19 0.00 -1.41 0.00 0.00 60.65 57.75 1q9p s ILE 54 Cb 0.00 -0.96 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 1q9p s ILE 54 CO 0.00 -0.36 0.56 -0.54 -1.91 0.00 0.00 174.94 172.69 1q9p s LYS 55 N -1.92 4.20 0.03 3.50 1.02 -1.26 -1.51 119.74 123.80 1q9p s LYS 55 Ca -0.03 0.49 0.09 0.00 0.02 0.00 0.00 55.97 56.54 1q9p s LYS 55 Cb -0.08 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1q9p s LYS 55 CO 0.01 -0.17 -0.26 0.08 -0.92 0.00 0.00 175.35 174.09 1q9p s VAL 56 N 1.70 2.09 0.03 3.17 1.01 0.59 -4.83 120.40 124.16 1q9p s VAL 56 Ca 0.26 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 1q9p s VAL 56 Cb -0.16 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1q9p s VAL 56 CO 0.10 0.42 0.54 -0.60 0.00 0.00 0.00 175.10 175.56 1q9p s ARG 57 N -1.05 4.18 -0.14 2.72 3.52 0.10 -1.75 118.95 126.54 1q9p s ARG 57 Ca 0.11 0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 56.36 1q9p s ARG 57 Cb -0.10 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1q9p s ARG 57 CO 0.01 0.56 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.81 1q9p s GLN 58 N -0.79 3.41 -0.16 5.12 0.74 -1.05 0.16 119.66 127.09 1q9p s GLN 58 Ca 0.28 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 55.01 1q9p s GLN 58 Cb -0.18 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.22 1q9p s GLN 58 CO 0.17 0.17 -0.09 -0.47 -0.55 0.00 0.00 175.29 174.52 1q9p s TYR 59 N 0.47 2.90 0.37 1.67 6.14 -1.10 -4.11 117.35 123.70 1q9p s TYR 59 Ca -0.08 -0.65 0.06 0.00 0.64 0.00 0.00 57.07 57.04 1q9p s TYR 59 Cb -0.16 -1.94 -0.07 0.00 0.42 0.00 0.00 41.96 40.21 1q9p s TYR 59 CO 0.04 -0.26 0.01 -0.51 0.64 0.00 0.00 175.55 175.47 1q9p s ASP 60 N 0.65 3.38 -1.14 4.32 1.01 -1.26 -1.47 116.67 122.16 1q9p s ASP 60 Ca -0.05 -1.35 -0.04 0.00 0.71 0.00 0.00 52.55 51.83 1q9p s ASP 60 Cb -0.15 -0.29 0.00 0.00 1.01 0.00 0.00 42.92 43.49 1q9p s ASP 60 CO 0.02 -0.47 0.52 0.00 0.21 0.00 0.00 175.17 175.46 1q9p n GLN 61 N -0.85 -4.03 -4.38 8.23 6.02 -1.26 -5.02 117.38 116.09 1q9p n GLN 61 Ca -0.04 0.67 -0.28 0.00 -0.01 0.00 0.00 57.00 57.34 1q9p n GLN 61 Cb 0.66 -5.05 -0.13 0.00 1.02 0.00 0.00 30.24 26.74 1q9p n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1q9p s ILE 62 N -3.05 2.21 -0.15 5.09 1.01 -1.26 -4.99 121.20 120.06 1q9p s ILE 62 Ca 0.26 -1.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.07 1q9p s ILE 62 Cb -0.11 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1q9p s ILE 62 CO 0.32 0.05 0.11 -0.63 0.00 0.00 0.00 174.94 174.80 1q9p s ILE 63 N -1.13 5.24 -0.00 2.92 1.01 -1.26 -2.65 121.20 125.33 1q9p s ILE 63 Ca 0.14 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.98 1q9p s ILE 63 Cb -0.10 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1q9p s ILE 63 CO 0.06 0.54 -0.22 -0.51 0.00 0.00 0.00 174.94 174.81 1q9p s ILE 64 N -0.40 1.76 -0.23 2.92 2.07 0.20 -4.75 121.20 122.78 1q9p s ILE 64 Ca 0.11 -1.03 -0.06 0.00 -1.41 0.00 0.00 60.65 58.26 1q9p s ILE 64 Cb -0.12 -1.48 -0.02 0.00 0.13 0.00 0.00 42.46 40.97 1q9p s ILE 64 CO 0.01 0.43 0.03 -0.70 -1.91 0.00 0.00 174.94 172.80 1q9p s GLU 65 N -0.70 3.61 -0.08 3.50 2.12 -1.00 -0.61 118.70 125.54 1q9p s GLU 65 Ca 0.09 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 54.92 1q9p s GLU 65 Cb -0.09 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.13 1q9p s GLU 65 CO -0.00 -0.10 -0.12 0.42 -0.54 0.00 0.00 175.26 174.91 1q9p s ILE 66 N 1.33 1.21 -1.58 -3.70 1.01 0.31 -2.14 121.20 117.66 1q9p s ILE 66 Ca 0.04 -0.49 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 1q9p s ILE 66 Cb -0.15 -1.13 0.10 0.00 0.01 0.00 0.00 42.46 41.30 1q9p s ILE 66 CO 0.02 0.38 0.84 0.00 0.00 0.00 0.00 174.94 176.18 1q9p n ALA 67 N 4.09 -1.38 -1.04 9.38 0.00 -1.26 0.62 120.51 130.92 1q9p n ALA 67 Ca -0.20 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 1q9p n ALA 67 Cb 0.51 -3.69 -0.01 0.00 0.00 0.00 0.00 19.45 16.27 1q9p n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q9p n GLY 68 N -1.60 0.45 3.38 0.00 0.00 -1.26 -5.00 105.19 101.15 1q9p n GLY 68 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1q9p n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q9p s HIS 69 N -1.80 2.68 -0.03 1.61 4.02 0.20 -5.12 115.29 116.85 1q9p s HIS 69 Ca 0.00 -0.50 -0.10 0.00 1.02 0.00 0.00 55.06 55.48 1q9p s HIS 69 Cb 0.00 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.58 29.80 1q9p s HIS 69 CO 0.00 -0.08 0.28 0.15 1.02 0.00 0.00 174.74 176.12 1q9p s LYS 70 N -0.16 3.66 -0.01 1.40 1.02 -1.26 0.12 119.74 124.52 1q9p s LYS 70 Ca -0.02 0.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.91 1q9p s LYS 70 Cb -0.14 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1q9p s LYS 70 CO 0.03 0.70 0.34 0.00 -0.92 0.00 0.00 175.35 175.51 1q9p s ALA 71 N -1.14 -0.85 -0.04 5.17 0.00 0.22 -4.97 121.76 120.15 1q9p s ALA 71 Ca 0.22 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.58 1q9p s ALA 71 Cb -0.14 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1q9p s ALA 71 CO 0.11 -0.30 -0.19 -1.50 0.00 0.00 0.00 175.76 173.88 1q9p s ILE 72 N -1.56 1.58 -1.31 0.00 2.07 -1.26 0.62 121.20 121.34 1q9p s ILE 72 Ca -0.12 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 1q9p s ILE 72 Cb -0.04 -1.34 0.00 0.00 0.13 0.00 0.00 42.46 41.21 1q9p s ILE 72 CO 0.03 0.45 0.00 0.61 -1.91 0.00 0.00 174.94 174.12 1q9p n GLY 73 N 2.95 -1.37 3.74 1.50 0.00 -1.08 -5.01 105.19 105.91 1q9p n GLY 73 Ca -0.17 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1q9p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q9p s THR 74 N -2.68 3.70 -0.28 2.61 2.01 -1.26 -4.03 115.64 115.71 1q9p s THR 74 Ca 0.00 1.51 -0.03 0.00 0.31 0.00 0.00 61.69 63.48 1q9p s THR 74 Cb 0.00 -3.96 0.09 0.00 0.01 0.00 0.00 72.50 68.64 1q9p s THR 74 CO 0.00 0.28 0.10 0.54 -0.69 0.00 0.00 174.62 174.85 1q9p s VAL 75 N -0.42 0.36 0.20 3.82 0.11 -0.54 -4.93 120.40 119.00 1q9p s VAL 75 Ca 0.49 -0.94 -0.32 0.00 -2.93 0.00 0.00 61.98 58.28 1q9p s VAL 75 Cb -0.31 -1.22 -0.11 0.00 -1.53 0.00 0.00 36.38 33.21 1q9p s VAL 75 CO 0.37 -0.62 1.66 -0.76 -3.33 0.00 0.00 175.10 172.42 1q9p s LEU 76 N 1.89 4.37 -0.15 2.54 1.02 -1.24 -2.69 118.68 124.41 1q9p s LEU 76 Ca 0.08 2.78 -0.03 0.00 0.02 0.00 0.00 54.13 56.97 1q9p s LEU 76 Cb -0.17 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.42 1q9p s LEU 76 CO -0.27 -0.92 -0.05 -0.69 0.02 0.00 0.00 176.35 174.44 1q9p s VAL 77 N 1.11 3.78 0.20 -1.59 1.01 0.43 -0.47 120.40 124.88 1q9p s VAL 77 Ca 0.73 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1q9p s VAL 77 Cb -0.47 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 1q9p s VAL 77 CO 0.32 0.49 0.01 -0.83 0.00 0.00 0.00 175.10 175.09 1q9p s GLY 78 N 0.40 1.38 0.59 4.51 0.00 -1.01 0.03 107.32 113.22 1q9p s GLY 78 Ca -0.05 -1.67 0.37 0.00 0.00 0.00 0.00 44.72 43.37 1q9p s GLY 78 CO 0.03 -1.58 2.13 -0.56 0.00 0.00 0.00 173.10 173.11 1q9p h PRO 79 N 2.59 0.00 -6.78 2.90 0.13 -1.90 -1.48 132.00 127.46 1q9p h PRO 79 Ca -0.37 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.23 1q9p h PRO 79 Cb 1.21 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.42 1q9p h PRO 79 CO 0.63 0.01 0.84 -0.08 -0.23 0.00 0.00 178.00 179.17 1q9p s THR 80 N -3.86 2.28 -0.38 1.56 -1.32 -1.26 -4.74 115.64 107.92 1q9p s THR 80 Ca -0.01 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.70 1q9p s THR 80 Cb 0.11 -3.15 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 1q9p s THR 80 CO 0.50 0.04 0.80 -0.81 -2.21 0.00 0.00 174.62 172.94 1q9p n PRO 81 N 2.25 0.98 -4.38 7.08 -0.04 -1.26 -3.81 135.00 135.82 1q9p n PRO 81 Ca 0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1q9p n PRO 81 Cb 0.38 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 1q9p n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q9p s VAL 82 N -0.36 1.98 -0.07 0.52 1.01 -1.26 -4.90 120.40 117.32 1q9p s VAL 82 Ca 0.00 -2.21 0.02 0.00 0.00 0.00 0.00 61.98 59.79 1q9p s VAL 82 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1q9p s VAL 82 CO 0.00 -0.48 -0.14 0.20 0.00 0.00 0.00 175.10 174.68 1q9p s ASN 83 N -3.24 1.96 -0.02 3.32 0.01 -1.26 -1.71 114.94 114.00 1q9p s ASN 83 Ca 0.23 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 52.09 1q9p s ASN 83 Cb -0.03 -0.91 -0.01 0.00 0.41 0.00 0.00 41.25 40.71 1q9p s ASN 83 CO 0.09 0.05 -0.15 -0.51 -1.51 0.00 0.00 177.10 175.07 1q9p s ILE 84 N 0.62 1.21 -0.09 0.60 2.07 -0.00 -2.35 121.20 123.27 1q9p s ILE 84 Ca -0.15 -0.63 -0.00 0.00 -1.41 0.00 0.00 60.65 58.45 1q9p s ILE 84 Cb -0.16 -1.02 -0.03 0.00 0.13 0.00 0.00 42.46 41.38 1q9p s ILE 84 CO 0.04 0.35 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.74 1q9p s ILE 85 N -0.21 3.84 0.00 2.00 -1.09 -0.96 -2.27 121.20 122.51 1q9p s ILE 85 Ca 0.03 -0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1q9p s ILE 85 Cb -0.07 -2.60 0.00 0.00 -1.58 0.00 0.00 42.46 38.21 1q9p s ILE 85 CO 0.00 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1q9p n GLY 86 N 2.45 4.82 0.45 6.18 0.00 -1.25 -2.35 105.19 115.49 1q9p n GLY 86 Ca -0.18 -1.11 0.38 0.00 0.00 0.00 0.00 46.02 45.12 1q9p n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q9p n ARG 87 N 0.00 -0.03 -2.14 1.61 0.63 0.52 -2.57 116.66 114.68 1q9p n ARG 87 Ca 0.00 1.20 -0.39 0.00 -0.92 0.00 0.00 57.85 57.74 1q9p n ARG 87 Cb 0.00 -2.36 -0.01 0.00 0.45 0.00 0.00 32.46 30.54 1q9p n ARG 87 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1q9p s ASN 88 N -4.28 6.26 0.00 6.15 0.02 -1.01 -2.42 114.94 119.67 1q9p s ASN 88 Ca -0.07 2.51 0.00 0.00 -1.02 0.00 0.00 52.86 54.28 1q9p s ASN 88 Cb 0.30 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.94 1q9p s ASN 88 CO 0.78 -0.87 0.00 0.18 0.02 0.00 0.00 177.10 177.21 1q9p n LEU 89 N -0.09 0.00 -0.20 0.60 4.77 -1.26 -4.41 117.00 116.40 1q9p n LEU 89 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1q9p n LEU 89 Cb 0.45 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.62 1q9p n LEU 89 CO 0.52 0.00 1.05 0.25 -1.33 0.00 0.00 177.39 177.89 1q9p h LEU 90 N 0.00 0.45 -0.39 2.23 5.85 -1.50 -0.32 115.31 121.63 1q9p h LEU 90 Ca 0.00 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1q9p h LEU 90 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1q9p h LEU 90 CO 0.00 0.30 -0.80 0.71 -0.34 0.00 0.00 178.44 178.31 1q9p h THR 91 N 0.59 1.47 -0.04 1.05 1.35 -1.68 -2.66 112.91 112.98 1q9p h THR 91 Ca 0.27 -2.46 -0.00 0.00 -0.55 0.00 0.00 66.41 63.67 1q9p h THR 91 Cb 0.17 2.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1q9p h THR 91 CO -0.18 0.72 0.01 -0.61 -0.25 0.00 0.00 175.52 175.21 1q9p h GLN 92 N 0.12 0.07 0.00 4.72 4.15 -1.64 -2.86 115.11 119.67 1q9p h GLN 92 Ca -0.03 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1q9p h GLN 92 Cb 1.39 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 1q9p h GLN 92 CO 0.12 0.28 -0.32 0.97 -1.93 0.00 0.00 178.83 177.95 1q9p h ILE 93 N -0.15 1.00 0.00 2.39 2.10 -1.15 -3.49 117.51 118.21 1q9p h ILE 93 Ca 0.01 -1.18 0.00 0.00 1.08 0.00 0.00 64.86 64.77 1q9p h ILE 93 Cb 0.24 1.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1q9p h ILE 93 CO 0.00 0.31 0.00 0.61 -1.08 0.00 0.00 178.15 177.99 1q9p n GLY 94 N -0.31 -1.77 0.00 8.18 0.00 -1.00 -5.11 105.19 105.17 1q9p n GLY 94 Ca -0.01 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32