#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 0.62 -0.58 -0.52 4.20 -2.11 -0.60 115.11 116.11 1q9p h GLN 2 Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1q9p h GLN 2 Cb 0.00 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1q9p h GLN 2 CO 0.00 0.41 0.39 0.82 -0.67 0.00 0.00 178.83 179.78 1q9p h ILE 3 N 0.64 1.12 -3.59 2.54 2.04 -2.13 -3.41 117.51 114.71 1q9p h ILE 3 Ca 0.24 -0.25 -0.52 0.00 1.00 0.00 0.00 64.86 65.33 1q9p h ILE 3 Cb 0.14 0.31 0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1q9p h ILE 3 CO -0.06 0.14 0.53 -0.89 0.00 0.00 0.00 178.15 177.86 1q9p s THR 4 N -5.64 3.57 0.33 -0.27 2.01 -0.23 -5.04 115.64 110.36 1q9p s THR 4 Ca -0.09 1.39 0.07 0.00 0.31 0.00 0.00 61.69 63.37 1q9p s THR 4 Cb 0.18 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1q9p s THR 4 CO 0.76 0.25 0.27 -1.48 -0.69 0.00 0.00 174.62 173.73 1q9p s LEU 5 N -0.59 3.59 -0.13 4.42 2.34 -1.26 -5.00 118.68 122.04 1q9p s LEU 5 Ca 0.50 -0.50 -0.29 0.00 0.06 0.00 0.00 54.13 53.90 1q9p s LEU 5 Cb -0.32 -2.19 -0.05 0.00 -0.56 0.00 0.00 46.19 43.07 1q9p s LEU 5 CO 0.38 -0.32 1.79 0.86 -1.06 0.00 0.00 176.35 178.00 1q9p s TRP 6 N -2.30 1.75 0.05 3.48 -0.11 -1.26 -4.98 118.94 115.57 1q9p s TRP 6 Ca 0.40 0.26 0.06 0.00 1.22 0.00 0.00 56.10 58.04 1q9p s TRP 6 Cb -0.06 -4.01 -0.03 0.00 -1.50 0.00 0.00 33.47 27.86 1q9p s TRP 6 CO 0.26 -3.87 -0.13 0.15 -4.62 0.00 0.00 176.95 168.74 1q9p s LYS 7 N 4.76 2.21 1.03 5.86 1.02 -1.26 -5.12 119.74 128.23 1q9p s LYS 7 Ca 0.80 -0.92 -0.13 0.00 0.02 0.00 0.00 55.97 55.74 1q9p s LYS 7 Cb -0.32 -2.30 0.20 0.00 -0.52 0.00 0.00 37.83 34.89 1q9p s LYS 7 CO 0.33 0.55 1.10 1.03 -0.92 0.00 0.00 175.35 177.44 1q9p s ARG 8 N -1.61 0.21 0.45 1.68 0.52 -1.26 -4.94 118.95 113.99 1q9p s ARG 8 Ca 0.17 0.39 -0.23 0.00 -0.52 0.00 0.00 55.73 55.55 1q9p s ARG 8 Cb -0.11 -1.72 -0.11 0.00 0.52 0.00 0.00 34.95 33.53 1q9p s ARG 8 CO 0.08 -2.85 0.82 -2.30 0.02 0.00 0.00 175.30 171.06 1q9p n PRO 9 N -4.24 0.98 -2.89 3.54 -0.02 -1.26 -4.97 135.00 126.15 1q9p n PRO 9 Ca 0.06 0.36 -0.31 0.00 -2.02 0.00 0.00 63.50 61.59 1q9p n PRO 9 Cb 0.58 -1.84 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 1q9p n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q9p s LEU 10 N 0.19 3.86 -0.14 2.45 2.01 -1.26 -5.07 118.68 120.72 1q9p s LEU 10 Ca 0.65 1.16 -0.09 0.00 0.01 0.00 0.00 54.13 55.86 1q9p s LEU 10 Cb -0.55 -4.03 -0.04 0.00 0.01 0.00 0.00 46.19 41.57 1q9p s LEU 10 CO 0.56 -0.37 0.17 -0.69 1.01 0.00 0.00 176.35 177.02 1q9p s VAL 11 N -2.32 5.44 0.15 -1.59 1.01 -1.26 -5.10 120.40 116.73 1q9p s VAL 11 Ca 0.52 0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.82 1q9p s VAL 11 Cb -0.10 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1q9p s VAL 11 CO 0.29 0.55 -0.13 0.28 0.00 0.00 0.00 175.10 176.10 1q9p s THR 12 N -0.56 1.36 0.26 3.92 -1.32 -1.26 -3.12 115.64 114.92 1q9p s THR 12 Ca 0.14 -1.96 0.09 0.00 -1.21 0.00 0.00 61.69 58.75 1q9p s THR 12 Cb -0.12 -1.76 -0.05 0.00 -1.51 0.00 0.00 72.50 69.05 1q9p s THR 12 CO 0.03 -0.58 -0.13 0.27 -2.21 0.00 0.00 174.62 172.00 1q9p s ILE 13 N -2.77 1.96 -0.07 5.08 -4.36 -0.63 -4.64 121.20 115.77 1q9p s ILE 13 Ca 0.15 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1q9p s ILE 13 Cb -0.01 -2.31 0.02 0.00 1.25 0.00 0.00 42.46 41.41 1q9p s ILE 13 CO 0.03 -0.41 -0.04 -0.75 0.24 0.00 0.00 174.94 174.01 1q9p s LYS 14 N -3.63 0.96 -0.06 0.37 2.20 -1.00 -2.51 119.74 116.06 1q9p s LYS 14 Ca 0.28 -0.09 -0.06 0.00 -0.36 0.00 0.00 55.97 55.73 1q9p s LYS 14 Cb -0.00 -1.06 0.02 0.00 -1.51 0.00 0.00 37.83 35.28 1q9p s LYS 14 CO 0.12 -0.17 0.17 0.96 -0.36 0.00 0.00 175.35 176.07 1q9p s ILE 15 N 1.35 0.00 -1.66 5.43 -4.36 -0.77 -2.25 121.20 118.94 1q9p s ILE 15 Ca -0.04 -0.02 -0.18 0.00 -0.26 0.00 0.00 60.65 60.15 1q9p s ILE 15 Cb -0.14 -0.25 0.16 0.00 1.25 0.00 0.00 42.46 43.48 1q9p s ILE 15 CO -0.03 -0.01 0.75 0.61 0.24 0.00 0.00 174.94 176.51 1q9p n GLY 16 N 2.95 -0.45 2.72 6.27 0.00 -1.26 0.13 105.19 115.54 1q9p n GLY 16 Ca -0.13 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.34 0.26 3.83 -0.02 0.00 -1.26 -4.98 105.19 101.68 1q9p n GLY 17 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 3.31 -0.21 1.61 -0.21 0.34 -5.09 119.66 118.41 1q9p s GLN 18 Ca 0.00 -0.21 -0.08 0.00 0.02 0.00 0.00 55.36 55.09 1q9p s GLN 18 Cb 0.00 -3.08 -0.04 0.00 1.00 0.00 0.00 33.01 30.89 1q9p s GLN 18 CO 0.00 0.76 0.09 -0.51 -2.12 0.00 0.00 175.29 173.50 1q9p s LEU 19 N -1.01 3.82 0.08 2.90 1.43 -1.26 -1.86 118.68 122.78 1q9p s LEU 19 Ca 0.15 0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1q9p s LEU 19 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1q9p s LEU 19 CO 0.04 0.10 0.01 -0.54 0.23 0.00 0.00 176.35 176.19 1q9p s LYS 20 N 0.79 0.74 0.14 1.70 1.02 -1.05 -5.04 119.74 118.04 1q9p s LYS 20 Ca 0.05 -1.30 0.06 0.00 0.02 0.00 0.00 55.97 54.80 1q9p s LYS 20 Cb -0.13 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 1q9p s LYS 20 CO 0.02 -0.17 0.05 -1.21 -0.92 0.00 0.00 175.35 173.12 1q9p s GLU 21 N -3.97 2.63 0.01 1.68 0.41 -1.26 -1.61 118.70 116.59 1q9p s GLU 21 Ca 0.13 -0.94 -0.05 0.00 -0.41 0.00 0.00 54.97 53.71 1q9p s GLU 21 Cb 0.08 -2.52 -0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1q9p s GLU 21 CO -0.06 0.49 0.08 0.00 -0.49 0.00 0.00 175.26 175.29 1q9p s ALA 22 N -1.61 -0.17 -0.06 5.21 0.00 -1.18 -4.39 121.76 119.56 1q9p s ALA 22 Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.93 1q9p s ALA 22 Cb -0.10 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1q9p s ALA 22 CO 0.20 -0.19 0.03 -0.51 0.00 0.00 0.00 175.76 175.29 1q9p s LEU 23 N -1.42 3.70 0.02 0.00 1.43 -0.89 -4.55 118.68 116.97 1q9p s LEU 23 Ca -0.15 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.92 1q9p s LEU 23 Cb -0.08 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.13 1q9p s LEU 23 CO 0.01 0.35 0.52 -0.76 0.23 0.00 0.00 176.35 176.69 1q9p s LEU 24 N -1.15 4.47 -0.35 1.79 1.43 -1.26 -1.35 118.68 122.26 1q9p s LEU 24 Ca 0.16 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1q9p s LEU 24 Cb -0.12 -2.79 0.14 0.00 0.03 0.00 0.00 46.19 43.46 1q9p s LEU 24 CO 0.06 0.24 0.24 -0.62 0.23 0.00 0.00 176.35 176.50 1q9p s ASP 25 N -0.80 2.60 0.55 2.29 2.15 -0.91 -4.90 116.67 117.65 1q9p s ASP 25 Ca 0.27 -1.97 0.26 0.00 0.43 0.00 0.00 52.55 51.55 1q9p s ASP 25 Cb -0.18 -0.17 1.58 0.00 -0.30 0.00 0.00 42.92 43.84 1q9p s ASP 25 CO 0.16 -0.31 2.16 0.74 -0.17 0.00 0.00 175.17 177.75 1q9p h THR 26 N 5.14 0.63 0.00 1.71 2.02 -1.96 -0.55 112.91 119.90 1q9p h THR 26 Ca 0.04 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1q9p h THR 26 Cb 0.99 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1q9p h THR 26 CO 0.26 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.82 1q9p n GLY 27 N -1.09 -1.14 3.42 2.16 0.00 -1.26 -4.59 105.19 102.68 1q9p n GLY 27 Ca -0.03 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1q9p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9p s ALA 28 N -3.38 2.57 -0.13 4.61 0.00 -0.22 -5.00 121.76 120.21 1q9p s ALA 28 Ca 0.02 -0.97 0.20 0.00 0.00 0.00 0.00 51.96 51.22 1q9p s ALA 28 Cb 0.08 -0.98 -0.19 0.00 0.00 0.00 0.00 23.12 22.03 1q9p s ALA 28 CO 0.33 0.46 0.65 -0.25 0.00 0.00 0.00 175.76 176.95 1q9p n ASP 29 N 2.70 0.42 -4.92 0.00 8.00 -1.26 -2.52 116.55 118.97 1q9p n ASP 29 Ca -0.17 0.17 -0.26 0.00 0.71 0.00 0.00 54.79 55.23 1q9p n ASP 29 Cb 0.52 1.05 -0.01 0.00 -0.02 0.00 0.00 41.12 42.66 1q9p n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q9p s ASP 30 N -5.15 6.32 -0.10 -2.24 1.01 -1.26 -3.41 116.67 111.83 1q9p s ASP 30 Ca -0.05 0.74 0.04 0.00 0.71 0.00 0.00 52.55 53.99 1q9p s ASP 30 Cb 0.11 -2.16 -0.00 0.00 1.01 0.00 0.00 42.92 41.87 1q9p s ASP 30 CO 0.85 -0.41 -0.23 -0.89 0.21 0.00 0.00 175.17 174.69 1q9p s THR 31 N -2.48 2.14 -0.02 -1.27 2.01 -1.26 -3.14 115.64 111.63 1q9p s THR 31 Ca 0.44 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1q9p s THR 31 Cb -0.10 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.59 1q9p s THR 31 CO 0.39 0.56 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.10 1q9p s VAL 32 N 0.36 0.69 -0.05 3.82 1.01 -0.93 -2.86 120.40 122.44 1q9p s VAL 32 Ca -0.18 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1q9p s VAL 32 Cb -0.18 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1q9p s VAL 32 CO 0.08 0.21 -0.25 -0.63 0.00 0.00 0.00 175.10 174.51 1q9p s ILE 33 N 0.04 2.05 0.47 2.22 1.01 0.35 -0.14 121.20 127.20 1q9p s ILE 33 Ca -0.00 -1.08 -0.25 0.00 0.00 0.00 0.00 60.65 59.32 1q9p s ILE 33 Cb -0.06 -1.73 -0.08 0.00 0.01 0.00 0.00 42.46 40.60 1q9p s ILE 33 CO 0.00 0.57 1.41 1.21 0.00 0.00 0.00 174.94 178.13 1q9p n GLU 34 N 2.83 2.12 -2.14 2.79 4.07 -0.51 -2.49 120.64 127.31 1q9p n GLU 34 Ca -0.17 0.76 -0.42 0.00 -0.06 0.00 0.00 57.16 57.27 1q9p n GLU 34 Cb 0.52 -2.60 -0.03 0.00 -0.06 0.00 0.00 31.44 29.27 1q9p n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1q9p s GLU 35 N -2.51 4.32 -0.29 5.31 2.12 -1.03 -4.81 118.70 121.81 1q9p s GLU 35 Ca 0.63 2.11 -0.21 0.00 0.36 0.00 0.00 54.97 57.86 1q9p s GLU 35 Cb -0.45 -3.22 0.16 0.00 0.26 0.00 0.00 34.13 30.88 1q9p s GLU 35 CO 0.56 -0.43 1.16 -1.64 -0.54 0.00 0.00 175.26 174.38 1q9p s MET 36 N 0.84 0.29 4.37 4.30 -1.94 -1.26 -5.05 119.30 120.85 1q9p s MET 36 Ca 0.64 0.40 0.00 0.00 -1.71 0.00 0.00 55.69 55.01 1q9p s MET 36 Cb -0.38 0.11 0.00 0.00 2.01 0.00 0.00 34.83 36.57 1q9p s MET 36 CO 0.32 -0.04 0.00 0.45 -0.01 0.00 0.00 175.02 175.74 1q9p n SER 37 N 2.55 0.00 -2.28 3.03 2.88 -1.26 -4.95 113.62 113.58 1q9p n SER 37 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1q9p n SER 37 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1q9p n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1q9p n LEU 38 N 0.00 -6.31 -4.12 2.46 7.99 -1.26 -4.91 117.00 110.85 1q9p n LEU 38 Ca 0.00 2.97 -0.36 0.00 -0.01 0.00 0.00 56.01 58.61 1q9p n LEU 38 Cb 0.00 -3.20 0.08 0.00 -0.11 0.00 0.00 43.42 40.19 1q9p n LEU 38 CO 0.00 -2.58 -1.35 -2.65 -1.51 0.00 0.00 177.39 169.30 1q9p n PRO 39 N 1.90 -0.52 0.00 3.23 -0.02 -1.26 -4.67 135.00 133.66 1q9p n PRO 39 Ca 0.00 -0.14 0.01 0.00 -2.02 0.00 0.00 63.50 61.34 1q9p n PRO 39 Cb 0.00 -1.29 0.03 0.00 -0.02 0.00 0.00 33.50 32.22 1q9p n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q9p n GLY 40 N 2.87 -0.06 3.65 -1.23 0.00 -1.26 -4.57 105.19 104.58 1q9p n GLY 40 Ca -0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1q9p n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q9p s ARG 41 N -2.00 4.14 0.17 1.61 3.52 -1.26 -5.02 118.95 120.11 1q9p s ARG 41 Ca 0.02 0.36 -0.09 0.00 -0.13 0.00 0.00 55.73 55.88 1q9p s ARG 41 Cb 0.01 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.84 1q9p s ARG 41 CO 0.01 -0.21 0.47 -2.67 -0.81 0.00 0.00 175.30 172.09 1q9p n TRP 42 N 5.03 -1.45 -3.91 5.12 4.27 -1.26 -5.06 117.44 120.19 1q9p n TRP 42 Ca -0.05 -0.87 -0.30 0.00 -3.89 0.00 0.00 57.50 52.39 1q9p n TRP 42 Cb 0.50 0.43 -0.14 0.00 -1.36 0.00 0.00 31.31 30.74 1q9p n TRP 42 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1q9p s LYS 43 N -2.04 1.59 0.21 -2.67 2.36 -0.33 -4.99 119.74 113.86 1q9p s LYS 43 Ca 0.10 -2.15 -0.32 0.00 -2.55 0.00 0.00 55.97 51.06 1q9p s LYS 43 Cb -0.02 -2.98 -0.15 0.00 -1.05 0.00 0.00 37.83 33.63 1q9p s LYS 43 CO 0.05 -1.06 1.23 -2.30 1.55 0.00 0.00 175.35 174.82 1q9p n PRO 44 N 3.69 1.50 -3.73 4.03 -0.02 -1.26 -2.49 135.00 136.72 1q9p n PRO 44 Ca 0.05 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.95 1q9p n PRO 44 Cb 0.36 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1q9p n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1q9p s LYS 45 N -0.55 0.92 -0.01 -0.52 -0.14 -0.63 -4.92 119.74 113.89 1q9p s LYS 45 Ca 0.69 -0.67 0.01 0.00 -1.36 0.00 0.00 55.97 54.64 1q9p s LYS 45 Cb -0.76 0.39 0.00 0.00 -1.68 0.00 0.00 37.83 35.79 1q9p s LYS 45 CO 0.52 -0.32 -0.04 1.41 -0.76 0.00 0.00 175.35 176.16 1q9p s MET 46 N -3.29 0.42 -0.11 1.68 -2.45 -1.26 -1.71 119.30 112.58 1q9p s MET 46 Ca 0.00 -0.14 0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1q9p s MET 46 Cb 0.02 -0.43 -0.01 0.00 1.25 0.00 0.00 34.83 35.65 1q9p s MET 46 CO -0.08 0.06 -0.16 0.42 1.05 0.00 0.00 175.02 176.31 1q9p s ILE 47 N 0.10 2.76 0.00 10.11 -1.09 -0.92 -4.99 121.20 127.17 1q9p s ILE 47 Ca -0.01 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.64 1q9p s ILE 47 Cb -0.04 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.71 1q9p s ILE 47 CO -0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 1q9p n GLY 48 N 3.38 0.00 0.37 6.18 0.00 -1.21 -1.91 105.19 112.00 1q9p n GLY 48 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1q9p n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q9p h GLY 49 N 0.00 1.06 -5.18 -0.02 0.00 -1.95 -3.28 103.07 93.70 1q9p h GLY 49 Ca 0.00 -0.29 -0.68 0.00 0.00 0.00 0.00 47.33 46.36 1q9p h GLY 49 CO 0.00 0.13 -0.86 -0.42 0.00 0.00 0.00 176.54 175.39 1q9p s ILE 50 N -5.64 2.25 -1.07 2.60 1.01 -1.26 -4.65 121.20 114.43 1q9p s ILE 50 Ca -0.10 -0.98 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1q9p s ILE 50 Cb 0.21 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1q9p s ILE 50 CO 0.78 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.89 1q9p n GLY 51 N 3.20 0.41 7.00 6.18 0.00 -1.26 -4.77 105.19 115.96 1q9p n GLY 51 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1q9p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 52 N -1.22 0.13 3.61 -0.02 0.00 -1.24 -4.65 105.19 101.80 1q9p n GLY 52 Ca -0.13 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 1q9p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q9p s PHE 53 N 0.00 3.25 0.02 1.61 0.08 -1.25 -3.36 117.98 118.33 1q9p s PHE 53 Ca 0.00 0.10 -0.14 0.00 0.12 0.00 0.00 56.93 57.01 1q9p s PHE 53 Cb 0.00 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1q9p s PHE 53 CO 0.00 -0.04 0.30 -1.50 -0.10 0.00 0.00 175.22 173.88 1q9p s ILE 54 N 1.27 0.07 -0.28 0.64 1.10 -0.80 -5.02 121.20 118.18 1q9p s ILE 54 Ca 0.07 -0.61 -0.08 0.00 -0.51 0.00 0.00 60.65 59.52 1q9p s ILE 54 Cb -0.14 -0.81 -0.01 0.00 0.15 0.00 0.00 42.46 41.64 1q9p s ILE 54 CO 0.06 -0.33 0.10 -0.54 -2.11 0.00 0.00 174.94 172.11 1q9p s LYS 55 N -2.08 3.37 0.23 3.50 1.02 -1.26 -2.16 119.74 122.36 1q9p s LYS 55 Ca -0.08 -0.68 0.06 0.00 0.02 0.00 0.00 55.97 55.29 1q9p s LYS 55 Cb -0.03 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 1q9p s LYS 55 CO -0.00 -0.34 -0.09 0.14 -0.92 0.00 0.00 175.35 174.14 1q9p s VAL 56 N 1.57 1.56 0.03 3.17 -7.23 -0.69 -4.97 120.40 113.85 1q9p s VAL 56 Ca 0.05 -2.14 0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1q9p s VAL 56 Cb -0.16 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 1q9p s VAL 56 CO 0.04 -0.45 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.08 1q9p s ARG 57 N -3.72 2.14 0.07 4.82 0.52 -0.63 -1.61 118.95 120.55 1q9p s ARG 57 Ca 0.26 -0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 54.48 1q9p s ARG 57 Cb 0.02 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.24 1q9p s ARG 57 CO 0.09 0.55 0.07 1.14 0.02 0.00 0.00 175.30 177.16 1q9p s GLN 58 N -1.42 0.73 -0.31 3.54 -2.07 -1.04 0.23 119.66 119.32 1q9p s GLN 58 Ca 0.15 -1.14 -0.06 0.00 -1.82 0.00 0.00 55.36 52.49 1q9p s GLN 58 Cb -0.11 0.27 0.03 0.00 -1.09 0.00 0.00 33.01 32.11 1q9p s GLN 58 CO 0.05 -0.19 0.08 -0.47 -1.32 0.00 0.00 175.29 173.45 1q9p s TYR 59 N -3.91 3.19 0.31 9.60 6.14 -1.10 -1.19 117.35 130.39 1q9p s TYR 59 Ca 0.08 -1.24 0.18 0.00 0.64 0.00 0.00 57.07 56.73 1q9p s TYR 59 Cb 0.07 -2.25 0.87 0.00 0.42 0.00 0.00 41.96 41.07 1q9p s TYR 59 CO -0.09 -0.66 1.85 -0.44 0.64 0.00 0.00 175.55 176.84 1q9p h ASP 60 N 8.21 0.00 -1.34 4.32 3.32 -1.91 -2.78 116.42 126.24 1q9p h ASP 60 Ca -0.27 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.48 1q9p h ASP 60 Cb 1.10 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.43 1q9p h ASP 60 CO 0.60 0.32 -0.65 1.67 -1.72 0.00 0.00 179.24 179.46 1q9p n GLN 61 N -3.78 0.46 -4.33 3.56 -0.06 -1.26 -4.36 117.38 107.61 1q9p n GLN 61 Ca -0.01 -2.37 -0.30 0.00 -2.00 0.00 0.00 57.00 52.32 1q9p n GLN 61 Cb 0.41 -1.52 -0.11 0.00 -4.06 0.00 0.00 30.24 24.96 1q9p n GLN 61 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1q9p s ILE 62 N 0.56 2.90 -0.18 1.69 2.07 -1.23 -4.98 121.20 122.03 1q9p s ILE 62 Ca 0.31 -1.44 -0.09 0.00 -1.41 0.00 0.00 60.65 58.03 1q9p s ILE 62 Cb 0.03 -2.32 -0.05 0.00 0.13 0.00 0.00 42.46 40.26 1q9p s ILE 62 CO -0.11 0.13 0.10 -0.63 -1.91 0.00 0.00 174.94 172.52 1q9p s ILE 63 N -1.13 5.16 -0.02 2.00 1.01 -1.26 -2.68 121.20 124.28 1q9p s ILE 63 Ca 0.18 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.99 1q9p s ILE 63 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1q9p s ILE 63 CO 0.10 0.47 -0.22 -0.63 0.00 0.00 0.00 174.94 174.66 1q9p s ILE 64 N 0.23 1.73 -0.31 2.92 1.01 0.60 -4.89 121.20 122.49 1q9p s ILE 64 Ca 0.07 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1q9p s ILE 64 Cb -0.12 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1q9p s ILE 64 CO -0.01 0.49 0.37 -1.61 0.00 0.00 0.00 174.94 174.18 1q9p s GLU 65 N -0.50 3.76 -0.10 2.79 0.41 -0.95 -1.80 118.70 122.31 1q9p s GLU 65 Ca 0.08 -0.22 0.01 0.00 -0.41 0.00 0.00 54.97 54.43 1q9p s GLU 65 Cb -0.09 -3.74 0.02 0.00 -1.78 0.00 0.00 34.13 28.54 1q9p s GLU 65 CO -0.01 -0.42 -0.13 0.42 -0.49 0.00 0.00 175.26 174.63 1q9p s ILE 66 N 2.06 1.30 -1.48 -1.63 1.01 0.36 -2.38 121.20 120.44 1q9p s ILE 66 Ca 0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 1q9p s ILE 66 Cb -0.16 -1.21 0.05 0.00 0.01 0.00 0.00 42.46 41.14 1q9p s ILE 66 CO 0.11 0.40 0.64 0.00 0.00 0.00 0.00 174.94 176.10 1q9p n ALA 67 N 4.25 -1.72 -1.67 9.38 0.00 -1.26 0.59 120.51 130.08 1q9p n ALA 67 Ca -0.19 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 52.94 1q9p n ALA 67 Cb 0.51 -2.52 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 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 -1.74 1.66 3.25 0.00 0.00 -1.26 -4.96 105.19 102.13 1q9p n GLY 68 Ca -0.16 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1q9p n GLY 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q9p s HIS 69 N -2.77 1.92 0.22 1.61 5.65 0.20 -5.12 115.29 116.99 1q9p s HIS 69 Ca 0.00 -0.37 -0.28 0.00 0.25 0.00 0.00 55.06 54.66 1q9p s HIS 69 Cb 0.00 -1.20 -0.09 0.00 -1.18 0.00 0.00 32.58 30.11 1q9p s HIS 69 CO 0.00 0.02 0.87 0.15 -0.65 0.00 0.00 174.74 175.13 1q9p s LYS 70 N -0.77 4.71 -0.14 2.88 1.02 -1.26 -0.49 119.74 125.68 1q9p s LYS 70 Ca 0.08 1.33 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 1q9p s LYS 70 Cb -0.09 -3.22 0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1q9p s LYS 70 CO 0.00 0.52 0.37 0.00 -0.92 0.00 0.00 175.35 175.32 1q9p s ALA 71 N -1.21 -0.92 -0.05 5.17 0.00 -0.74 -4.93 121.76 119.08 1q9p s ALA 71 Ca 0.40 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1q9p s ALA 71 Cb -0.24 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.20 1q9p s ALA 71 CO 0.29 -0.20 -0.15 0.96 0.00 0.00 0.00 175.76 176.66 1q9p s ILE 72 N 0.56 1.28 -0.02 0.00 -4.36 -1.26 -0.29 121.20 117.10 1q9p s ILE 72 Ca -0.03 -0.61 -0.29 0.00 -0.26 0.00 0.00 60.65 59.46 1q9p s ILE 72 Cb -0.05 -1.12 0.11 0.00 1.25 0.00 0.00 42.46 42.65 1q9p s ILE 72 CO -0.03 0.38 1.30 -0.83 0.24 0.00 0.00 174.94 175.99 1q9p s GLY 73 N 0.26 -0.24 0.21 6.27 0.00 -1.09 -5.01 107.32 107.72 1q9p s GLY 73 Ca -0.08 0.29 -0.27 0.00 0.00 0.00 0.00 44.72 44.66 1q9p s GLY 73 CO 0.03 3.61 0.86 -1.59 0.00 0.00 0.00 173.10 176.01 1q9p s THR 74 N -2.14 4.23 -0.24 0.90 2.01 -1.26 -3.55 115.64 115.60 1q9p s THR 74 Ca 0.24 1.87 -0.04 0.00 0.31 0.00 0.00 61.69 64.07 1q9p s THR 74 Cb 0.02 -4.21 0.08 0.00 0.01 0.00 0.00 72.50 68.40 1q9p s THR 74 CO -0.02 0.49 0.11 0.68 -0.69 0.00 0.00 174.62 175.19 1q9p s VAL 75 N -1.20 -0.05 0.21 3.82 -7.23 -1.05 -4.86 120.40 110.04 1q9p s VAL 75 Ca 0.39 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 1q9p s VAL 75 Cb -0.24 -0.81 -0.09 0.00 0.56 0.00 0.00 36.38 35.80 1q9p s VAL 75 CO 0.29 -0.52 1.37 -0.76 -0.31 0.00 0.00 175.10 175.16 1q9p s LEU 76 N 2.11 4.40 -0.16 1.32 1.43 -1.14 -2.71 118.68 123.94 1q9p s LEU 76 Ca 0.06 2.50 -0.04 0.00 -1.03 0.00 0.00 54.13 55.62 1q9p s LEU 76 Cb -0.16 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1q9p s LEU 76 CO -0.24 -0.61 -0.04 -0.69 0.23 0.00 0.00 176.35 175.00 1q9p s VAL 77 N 0.17 3.88 0.29 -1.59 1.01 0.62 -0.50 120.40 124.27 1q9p s VAL 77 Ca 0.59 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.09 1q9p s VAL 77 Cb -0.39 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1q9p s VAL 77 CO 0.39 0.49 0.53 -0.83 0.00 0.00 0.00 175.10 175.69 1q9p s GLY 78 N 0.40 0.72 0.51 4.51 0.00 -1.04 -1.61 107.32 110.81 1q9p s GLY 78 Ca -0.04 -0.99 0.35 0.00 0.00 0.00 0.00 44.72 44.04 1q9p s GLY 78 CO 0.03 -0.65 2.05 -0.56 0.00 0.00 0.00 173.10 173.97 1q9p h PRO 79 N 2.17 0.00 -6.12 2.90 0.13 -1.93 -2.72 132.00 126.43 1q9p h PRO 79 Ca -0.27 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.25 1q9p h PRO 79 Cb 1.25 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.54 1q9p h PRO 79 CO 0.36 0.00 -0.83 -2.37 -0.23 0.00 0.00 178.00 174.93 1q9p n THR 80 N -2.77 0.89 -1.94 1.56 5.66 -1.26 -4.86 114.28 111.56 1q9p n THR 80 Ca -0.02 -0.50 -0.36 0.00 -3.05 0.00 0.00 64.05 60.12 1q9p n THR 80 Cb 0.11 -0.17 0.04 0.00 -1.55 0.00 0.00 70.33 68.76 1q9p n THR 80 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1q9p s PRO 81 N -1.22 2.92 0.00 1.09 0.04 -1.26 -4.34 135.00 132.22 1q9p s PRO 81 Ca 0.61 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1q9p s PRO 81 Cb -0.58 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1q9p s PRO 81 CO 0.62 -1.27 0.00 0.28 0.04 0.00 0.00 177.00 176.67 1q9p n VAL 82 N -1.57 0.00 -4.30 -0.36 0.31 -1.26 -4.69 118.33 106.47 1q9p n VAL 82 Ca 0.14 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.23 1q9p n VAL 82 Cb 0.49 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.29 1q9p n VAL 82 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1q9p s ASN 83 N -2.56 2.59 -0.02 4.52 0.01 -1.26 -1.43 114.94 116.79 1q9p s ASN 83 Ca 0.00 -0.71 0.05 0.00 -0.71 0.00 0.00 52.86 51.49 1q9p s ASN 83 Cb 0.00 -0.14 -0.01 0.00 0.41 0.00 0.00 41.25 41.50 1q9p s ASN 83 CO 0.00 0.06 -0.17 -0.51 -1.51 0.00 0.00 177.10 174.97 1q9p s ILE 84 N -1.24 1.35 -0.15 0.60 2.07 0.80 -2.09 121.20 122.54 1q9p s ILE 84 Ca 0.08 -0.72 -0.03 0.00 -1.41 0.00 0.00 60.65 58.56 1q9p s ILE 84 Cb -0.10 -1.14 -0.03 0.00 0.13 0.00 0.00 42.46 41.33 1q9p s ILE 84 CO 0.05 0.39 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.78 1q9p s ILE 85 N -0.30 3.81 0.55 2.00 -1.09 -0.46 -2.19 121.20 123.53 1q9p s ILE 85 Ca 0.04 -0.39 0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1q9p s ILE 85 Cb -0.08 -2.66 0.07 0.00 -1.58 0.00 0.00 42.46 38.21 1q9p s ILE 85 CO -0.00 0.50 0.75 -0.83 -1.23 0.00 0.00 174.94 174.12 1q9p s GLY 86 N 0.35 1.78 0.66 6.18 0.00 -1.19 -2.15 107.32 112.95 1q9p s GLY 86 Ca -0.05 -2.05 0.42 0.00 0.00 0.00 0.00 44.72 43.03 1q9p s GLY 86 CO 0.03 -1.66 2.31 3.21 0.00 0.00 0.00 173.10 176.99 1q9p h ARG 87 N 0.27 0.00 0.44 2.90 3.08 -1.54 -2.88 114.38 116.65 1q9p h ARG 87 Ca -0.32 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.72 1q9p h ARG 87 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1q9p h ARG 87 CO 0.42 0.00 -0.33 -2.95 -1.07 0.00 0.00 179.97 176.04 1q9p h ASN 88 N 0.00 -0.86 -0.40 7.04 -1.07 -1.87 0.19 115.58 118.61 1q9p h ASN 88 Ca 0.00 0.06 -0.11 0.00 0.07 0.00 0.00 56.30 56.32 1q9p h ASN 88 Cb 0.08 0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.58 1q9p h ASN 88 CO -0.00 -0.47 -0.16 -0.07 0.07 0.00 0.00 177.43 176.80 1q9p h LEU 89 N -0.74 0.89 -1.27 6.14 3.38 -1.86 -2.95 115.31 118.90 1q9p h LEU 89 Ca -0.06 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1q9p h LEU 89 Cb 0.61 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1q9p h LEU 89 CO 0.02 1.04 0.31 -0.07 0.09 0.00 0.00 178.44 179.84 1q9p h LEU 90 N 0.78 0.72 -1.13 1.67 3.38 -1.45 -2.06 115.31 117.22 1q9p h LEU 90 Ca 0.12 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1q9p h LEU 90 Cb 0.70 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1q9p h LEU 90 CO 0.05 0.59 0.59 0.74 0.09 0.00 0.00 178.44 180.51 1q9p h THR 91 N 0.82 1.16 -0.97 0.22 2.02 -0.43 0.62 112.91 116.34 1q9p h THR 91 Ca 0.21 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 67.09 1q9p h THR 91 Cb 0.04 -0.08 -0.07 0.00 -1.74 0.00 0.00 68.15 66.29 1q9p h THR 91 CO -0.03 0.21 0.62 -0.61 0.37 0.00 0.00 175.52 176.08 1q9p h GLN 92 N 1.14 1.01 0.00 6.66 5.75 -1.38 -3.35 115.11 124.94 1q9p h GLN 92 Ca 0.36 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 1q9p h GLN 92 Cb 0.00 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.33 1q9p h GLN 92 CO -0.10 0.67 0.00 -0.89 -2.65 0.00 0.00 178.83 175.85 1q9p n ILE 93 N -4.55 0.00 -3.06 2.39 5.41 -0.61 -5.10 119.36 113.85 1q9p n ILE 93 Ca 0.17 0.22 0.00 0.00 1.00 0.00 0.00 62.75 64.14 1q9p n ILE 93 Cb 0.28 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 1q9p n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q9p n GLY 94 N 2.11 -1.64 3.89 7.39 0.00 0.21 -5.11 105.19 112.04 1q9p n GLY 94 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32