#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9p s GLN 2 N 0.00 1.85 -0.02 -0.52 -0.21 -1.26 -5.14 119.66 114.36 1q9p s GLN 2 Ca 0.00 -1.88 -0.05 0.00 0.02 0.00 0.00 55.36 53.45 1q9p s GLN 2 Cb 0.00 -1.75 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 1q9p s GLN 2 CO 0.00 0.17 0.22 0.42 -2.12 0.00 0.00 175.29 173.98 1q9p s ILE 3 N -2.58 5.38 0.35 1.08 -1.09 -1.26 -5.05 121.20 118.03 1q9p s ILE 3 Ca 0.32 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.51 1q9p s ILE 3 Cb 0.01 -3.53 -0.11 0.00 -1.58 0.00 0.00 42.46 37.24 1q9p s ILE 3 CO 0.17 0.39 1.54 0.41 -1.23 0.00 0.00 174.94 176.21 1q9p n THR 4 N 1.17 1.66 -2.80 2.92 -1.04 -1.26 -4.97 114.28 109.97 1q9p n THR 4 Ca -0.12 -0.41 -0.33 0.00 -2.04 0.00 0.00 64.05 61.14 1q9p n THR 4 Cb 0.53 -1.99 -0.07 0.00 -1.82 0.00 0.00 70.33 66.98 1q9p n THR 4 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1q9p s LEU 5 N -1.54 3.93 -0.06 -4.42 2.34 -1.26 -5.04 118.68 112.64 1q9p s LEU 5 Ca 0.57 1.71 -0.21 0.00 0.06 0.00 0.00 54.13 56.26 1q9p s LEU 5 Cb -0.48 -4.54 -0.04 0.00 -0.56 0.00 0.00 46.19 40.57 1q9p s LEU 5 CO 0.59 -0.40 0.60 -1.66 -1.06 0.00 0.00 176.35 174.42 1q9p s TRP 6 N -2.16 3.60 -0.12 3.48 -2.14 -1.26 -4.95 118.94 115.39 1q9p s TRP 6 Ca 0.62 1.13 0.14 0.00 2.66 0.00 0.00 56.10 60.66 1q9p s TRP 6 Cb -0.10 -2.66 -0.20 0.00 -3.10 0.00 0.00 33.47 27.41 1q9p s TRP 6 CO 0.14 0.21 0.11 1.17 -2.66 0.00 0.00 176.95 175.92 1q9p n LYS 7 N 3.34 1.33 -0.19 3.25 4.81 -1.26 -4.57 118.16 124.87 1q9p n LYS 7 Ca -0.05 -0.04 -0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1q9p n LYS 7 Cb 0.51 -1.39 0.08 0.00 0.02 0.00 0.00 35.03 34.26 1q9p n LYS 7 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1q9p h ARG 8 N 0.00 0.10 0.00 1.64 2.43 -2.05 0.24 114.38 116.75 1q9p h ARG 8 Ca -0.33 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1q9p h ARG 8 Cb 1.70 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1q9p h ARG 8 CO 0.02 0.07 0.19 -1.35 -1.51 0.00 0.00 179.97 177.39 1q9p h PRO 9 N 0.11 0.00 -5.78 0.20 0.11 -2.02 -3.40 132.00 121.22 1q9p h PRO 9 Ca 0.30 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.83 1q9p h PRO 9 Cb 0.47 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.50 1q9p h PRO 9 CO -0.50 0.00 -0.02 -1.17 -0.21 0.00 0.00 178.00 176.10 1q9p s LEU 10 N -5.13 4.25 0.02 2.35 2.96 0.86 -4.66 118.68 119.33 1q9p s LEU 10 Ca -0.03 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.82 1q9p s LEU 10 Cb 0.08 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 1q9p s LEU 10 CO 0.24 -0.10 -0.11 0.54 -1.32 0.00 0.00 176.35 175.60 1q9p s VAL 11 N 1.03 0.88 0.20 1.68 0.11 -1.25 -5.02 120.40 118.02 1q9p s VAL 11 Ca 0.29 -0.81 0.11 0.00 -2.93 0.00 0.00 61.98 58.65 1q9p s VAL 11 Cb -0.16 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1q9p s VAL 11 CO 0.12 0.00 -0.23 0.42 -3.33 0.00 0.00 175.10 172.09 1q9p s THR 12 N -0.72 2.27 0.27 5.04 -4.23 -1.26 -2.56 115.64 114.44 1q9p s THR 12 Ca 0.00 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 1q9p s THR 12 Cb -0.07 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.63 1q9p s THR 12 CO 0.01 -0.18 -0.12 0.27 -0.54 0.00 0.00 174.62 174.06 1q9p s ILE 13 N -1.81 1.99 -0.11 2.99 -4.36 -0.80 -4.28 121.20 114.81 1q9p s ILE 13 Ca 0.21 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1q9p s ILE 13 Cb -0.07 -2.35 0.02 0.00 1.25 0.00 0.00 42.46 41.31 1q9p s ILE 13 CO 0.10 -0.38 -0.10 -0.75 0.24 0.00 0.00 174.94 174.04 1q9p s LYS 14 N -3.63 1.77 -0.07 0.37 2.20 -0.89 -1.58 119.74 117.91 1q9p s LYS 14 Ca 0.28 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1q9p s LYS 14 Cb 0.00 -1.69 0.03 0.00 -1.51 0.00 0.00 37.83 34.66 1q9p s LYS 14 CO 0.12 -0.20 0.00 0.42 -0.36 0.00 0.00 175.35 175.33 1q9p s ILE 15 N 1.46 0.35 0.00 5.43 1.01 -0.78 -2.35 121.20 126.33 1q9p s ILE 15 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1q9p s ILE 15 Cb -0.13 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1q9p s ILE 15 CO -0.07 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1q9p n GLY 16 N 5.10 0.69 0.00 6.18 0.00 -1.26 -2.26 105.19 113.63 1q9p n GLY 16 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.21 3.43 -0.02 0.00 -1.26 -5.11 105.19 101.44 1q9p n GLY 17 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.40 1.88 -0.07 1.61 -0.21 -0.96 -5.12 119.66 116.39 1q9p s GLN 18 Ca 0.00 -1.09 -0.15 0.00 0.02 0.00 0.00 55.36 54.14 1q9p s GLN 18 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1q9p s GLN 18 CO 0.00 0.51 0.39 -0.51 -2.12 0.00 0.00 175.29 173.56 1q9p s LEU 19 N -1.59 4.38 0.12 2.90 2.01 -1.26 -1.87 118.68 123.36 1q9p s LEU 19 Ca 0.14 0.81 0.03 0.00 0.01 0.00 0.00 54.13 55.12 1q9p s LEU 19 Cb -0.10 -2.54 -0.04 0.00 0.01 0.00 0.00 46.19 43.51 1q9p s LEU 19 CO 0.05 0.21 -0.08 -0.54 1.01 0.00 0.00 176.35 177.00 1q9p s LYS 20 N -0.36 0.92 -0.10 1.70 1.02 -0.61 -5.01 119.74 117.29 1q9p s LYS 20 Ca 0.22 -1.35 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 1q9p s LYS 20 Cb -0.15 -0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 1q9p s LYS 20 CO 0.10 0.03 0.09 -2.00 -0.92 0.00 0.00 175.35 172.65 1q9p s GLU 21 N -3.64 3.25 -0.02 1.68 2.12 -1.26 -1.91 118.70 118.91 1q9p s GLU 21 Ca 0.13 -0.25 -0.10 0.00 0.36 0.00 0.00 54.97 55.11 1q9p s GLU 21 Cb 0.03 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1q9p s GLU 21 CO -0.02 0.74 0.21 0.00 -0.54 0.00 0.00 175.26 175.65 1q9p s ALA 22 N -0.99 -0.52 0.08 6.30 0.00 -1.06 -4.16 121.76 121.41 1q9p s ALA 22 Ca 0.15 0.18 0.06 0.00 0.00 0.00 0.00 51.96 52.34 1q9p s ALA 22 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1q9p s ALA 22 CO 0.04 -0.20 -0.08 -0.51 0.00 0.00 0.00 175.76 175.01 1q9p s LEU 23 N -1.05 3.13 -0.09 0.00 1.43 -0.83 -3.79 118.68 117.49 1q9p s LEU 23 Ca -0.11 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 1q9p s LEU 23 Cb -0.06 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1q9p s LEU 23 CO 0.02 0.20 0.37 -0.76 0.23 0.00 0.00 176.35 176.41 1q9p s LEU 24 N -2.05 4.34 0.08 1.79 1.43 -1.26 -2.28 118.68 120.73 1q9p s LEU 24 Ca 0.21 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1q9p s LEU 24 Cb -0.11 -2.50 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1q9p s LEU 24 CO 0.13 0.18 0.20 -0.62 0.23 0.00 0.00 176.35 176.47 1q9p s ASP 25 N -0.13 6.21 0.36 2.29 -1.08 -1.05 -4.95 116.67 118.31 1q9p s ASP 25 Ca 0.21 0.20 0.12 0.00 -0.52 0.00 0.00 52.55 52.55 1q9p s ASP 25 Cb -0.15 -1.86 0.67 0.00 -1.46 0.00 0.00 42.92 40.12 1q9p s ASP 25 CO 0.09 0.14 1.80 0.74 0.52 0.00 0.00 175.17 178.46 1q9p h THR 26 N 2.06 1.28 0.00 1.71 2.02 -1.98 -3.41 112.91 114.58 1q9p h THR 26 Ca -0.46 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.39 1q9p h THR 26 Cb 1.17 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 1q9p h THR 26 CO 0.73 0.38 0.00 0.61 0.37 0.00 0.00 175.52 177.61 1q9p n GLY 27 N -0.41 0.00 0.22 2.16 0.00 -1.26 -4.99 105.19 100.90 1q9p n GLY 27 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 1q9p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9p h ALA 28 N 0.00 1.58 -5.32 4.61 0.00 -1.86 -3.46 119.26 114.81 1q9p h ALA 28 Ca 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 54.91 54.29 1q9p h ALA 28 Cb 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 17.80 1q9p h ALA 28 CO 0.00 0.28 -0.65 -0.25 0.00 0.00 0.00 179.25 178.64 1q9p n ASP 29 N -4.21 -5.62 -3.63 0.00 8.00 -1.26 -4.96 116.55 104.86 1q9p n ASP 29 Ca -0.02 -0.46 -0.13 0.00 0.71 0.00 0.00 54.79 54.89 1q9p n ASP 29 Cb 0.29 -4.51 -0.07 0.00 -0.02 0.00 0.00 41.12 36.81 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 -2.98 -0.74 -0.22 -2.24 1.01 -1.26 -4.89 116.67 105.35 1q9p s ASP 30 Ca 0.46 1.39 0.02 0.00 0.71 0.00 0.00 52.55 55.13 1q9p s ASP 30 Cb -0.22 1.40 0.05 0.00 1.01 0.00 0.00 42.92 45.16 1q9p s ASP 30 CO 0.57 -0.24 -0.13 0.28 0.21 0.00 0.00 175.17 175.86 1q9p s THR 31 N 0.52 1.98 0.02 -1.27 -1.32 -1.26 -2.51 115.64 111.78 1q9p s THR 31 Ca -0.01 -1.28 0.02 0.00 -1.21 0.00 0.00 61.69 59.21 1q9p s THR 31 Cb -0.05 -2.01 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 1q9p s THR 31 CO -0.02 0.16 -0.07 0.68 -2.21 0.00 0.00 174.62 173.16 1q9p s VAL 32 N 1.24 0.50 -0.04 5.08 -7.23 -1.06 -4.02 120.40 114.85 1q9p s VAL 32 Ca -0.03 -0.63 0.05 0.00 -1.81 0.00 0.00 61.98 59.56 1q9p s VAL 32 Cb -0.17 -0.49 -0.02 0.00 0.56 0.00 0.00 36.38 36.26 1q9p s VAL 32 CO -0.08 -0.11 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.77 1q9p s ILE 33 N -0.71 2.55 0.57 -0.62 -1.09 -1.02 -2.14 121.20 118.74 1q9p s ILE 33 Ca -0.03 -0.91 -0.20 0.00 -2.23 0.00 0.00 60.65 57.28 1q9p s ILE 33 Cb -0.06 -1.95 -0.06 0.00 -1.58 0.00 0.00 42.46 38.81 1q9p s ILE 33 CO 0.00 0.58 1.01 1.21 -1.23 0.00 0.00 174.94 176.51 1q9p n GLU 34 N 2.51 1.05 -2.25 2.79 4.07 -0.10 -2.41 120.64 126.31 1q9p n GLU 34 Ca -0.17 0.40 -0.42 0.00 -0.06 0.00 0.00 57.16 56.91 1q9p n GLU 34 Cb 0.52 -2.19 -0.03 0.00 -0.06 0.00 0.00 31.44 29.68 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 -2.64 4.26 0.00 5.31 2.56 -0.40 -4.67 118.70 123.12 1q9p s GLU 35 Ca 0.73 1.91 0.00 0.00 0.00 0.00 0.00 54.97 57.61 1q9p s GLU 35 Cb -0.44 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 32.00 1q9p s GLU 35 CO 0.49 -0.64 0.61 -0.12 -0.56 0.00 0.00 175.26 175.04 1q9p n MET 36 N 5.96 0.79 -0.84 4.30 1.56 -1.26 -5.03 117.12 122.59 1q9p n MET 36 Ca 0.14 -0.74 0.00 0.00 -0.27 0.00 0.00 57.70 56.82 1q9p n MET 36 Cb 0.44 -0.64 0.00 0.00 2.15 0.00 0.00 33.22 35.17 1q9p n MET 36 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1q9p n SER 37 N -0.13 -1.12 -2.79 6.12 2.88 -1.26 -5.07 113.62 112.23 1q9p n SER 37 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1q9p n SER 37 Cb 0.41 -0.56 0.04 0.00 -0.75 0.00 0.00 64.21 63.35 1q9p n SER 37 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1q9p n LEU 38 N -0.02 0.48 -4.55 2.46 7.94 -1.26 -5.08 117.00 116.96 1q9p n LEU 38 Ca 0.00 -3.97 -0.38 0.00 -1.11 0.00 0.00 56.01 50.54 1q9p n LEU 38 Cb 0.00 0.47 -0.03 0.00 0.53 0.00 0.00 43.42 44.38 1q9p n LEU 38 CO 0.00 1.82 1.37 -2.16 -1.11 0.00 0.00 177.39 177.31 1q9p s PRO 39 N -2.17 3.13 -0.08 1.96 0.04 -1.26 -4.69 135.00 131.92 1q9p s PRO 39 Ca 0.29 -0.40 -0.03 0.00 0.04 0.00 0.00 61.00 60.90 1q9p s PRO 39 Cb 0.41 -4.73 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1q9p s PRO 39 CO -0.02 -2.45 -0.10 0.41 0.04 0.00 0.00 177.00 174.88 1q9p n GLY 40 N 6.15 -0.13 3.23 0.56 0.00 -1.26 -5.06 105.19 108.68 1q9p n GLY 40 Ca 0.21 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1q9p n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q9p s ARG 41 N -2.16 0.99 -0.80 1.61 0.52 -1.26 -5.10 118.95 112.75 1q9p s ARG 41 Ca -0.12 -1.10 -0.07 0.00 -0.52 0.00 0.00 55.73 53.92 1q9p s ARG 41 Cb 0.04 -1.08 0.21 0.00 0.52 0.00 0.00 34.95 34.64 1q9p s ARG 41 CO 0.15 0.24 0.69 -0.46 0.02 0.00 0.00 175.30 175.95 1q9p s TRP 42 N -1.40 3.71 -0.62 -0.53 -0.11 -1.26 -4.74 118.94 114.00 1q9p s TRP 42 Ca 0.04 -2.53 0.05 0.00 1.22 0.00 0.00 56.10 54.88 1q9p s TRP 42 Cb -0.09 -3.49 0.17 0.00 -1.50 0.00 0.00 33.47 28.55 1q9p s TRP 42 CO 0.03 -0.88 0.44 0.21 -4.62 0.00 0.00 176.95 172.13 1q9p s LYS 43 N -0.37 2.01 0.28 5.86 2.20 -1.24 -5.02 119.74 123.46 1q9p s LYS 43 Ca 0.21 -2.98 -0.29 0.00 -0.36 0.00 0.00 55.97 52.55 1q9p s LYS 43 Cb -0.13 -2.86 -0.14 0.00 -1.51 0.00 0.00 37.83 33.19 1q9p s LYS 43 CO -0.07 -1.31 1.10 -2.30 -0.36 0.00 0.00 175.35 172.40 1q9p n PRO 44 N 2.25 1.49 -4.00 4.03 -0.02 -1.26 -1.52 135.00 135.98 1q9p n PRO 44 Ca 0.22 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 62.13 1q9p n PRO 44 Cb 0.38 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.39 0.35 -0.13 -0.52 -0.14 0.23 -4.85 119.74 113.30 1q9p s LYS 45 Ca 0.60 -0.67 -0.02 0.00 -1.36 0.00 0.00 55.97 54.53 1q9p s LYS 45 Cb -0.69 0.08 -0.02 0.00 -1.68 0.00 0.00 37.83 35.51 1q9p s LYS 45 CO 0.59 -0.04 -0.08 -1.64 -0.76 0.00 0.00 175.35 173.42 1q9p s MET 46 N -1.64 3.42 0.04 1.68 -1.94 -1.26 0.40 119.30 120.00 1q9p s MET 46 Ca -0.14 -0.58 0.02 0.00 -1.71 0.00 0.00 55.69 53.28 1q9p s MET 46 Cb -0.09 -2.76 -0.02 0.00 2.01 0.00 0.00 34.83 33.97 1q9p s MET 46 CO -0.01 0.30 -0.08 0.42 -0.01 0.00 0.00 175.02 175.64 1q9p s ILE 47 N 0.16 0.54 0.00 2.53 -1.09 -0.01 -4.31 121.20 119.03 1q9p s ILE 47 Ca -0.04 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.29 1q9p s ILE 47 Cb -0.14 -0.63 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 1q9p s ILE 47 CO 0.04 -0.39 0.00 0.61 -1.23 0.00 0.00 174.94 173.96 1q9p n GLY 48 N 1.43 0.82 0.00 6.18 0.00 -1.26 0.10 105.19 112.46 1q9p n GLY 48 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -1.20 0.34 -0.02 0.00 -1.26 -4.39 105.19 98.66 1q9p n GLY 49 Ca 0.00 -0.83 0.14 0.00 0.00 0.00 0.00 46.02 45.34 1q9p n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1q9p h ILE 50 N 0.00 0.85 -0.01 -0.61 2.10 -1.99 -0.10 117.51 117.76 1q9p h ILE 50 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1q9p h ILE 50 Cb 0.00 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 1q9p h ILE 50 CO 0.00 0.03 -0.06 0.61 -1.08 0.00 0.00 178.15 177.65 1q9p n GLY 51 N -1.58 -0.22 1.72 8.18 0.00 -1.26 -5.08 105.19 106.95 1q9p n GLY 51 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.74 -5.02 0.97 -0.02 0.00 -0.05 -4.67 105.19 97.14 1q9p n GLY 52 Ca 0.06 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1q9p n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q9p n PHE 53 N 1.49 0.39 -4.15 1.61 3.01 0.00 -4.42 117.46 115.38 1q9p n PHE 53 Ca 0.00 -0.19 -0.14 0.00 1.01 0.00 0.00 57.45 58.13 1q9p n PHE 53 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 1q9p n PHE 53 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1q9p s ILE 54 N -1.61 0.84 -0.24 4.37 2.07 0.28 -4.95 121.20 121.97 1q9p s ILE 54 Ca 0.36 -1.51 -0.09 0.00 -1.41 0.00 0.00 60.65 58.01 1q9p s ILE 54 Cb 0.21 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.57 1q9p s ILE 54 CO 0.30 -0.51 0.11 -0.54 -1.91 0.00 0.00 174.94 172.39 1q9p s LYS 55 N -2.51 3.90 0.19 3.50 1.02 -1.26 -0.83 119.74 123.75 1q9p s LYS 55 Ca 0.02 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 55.70 1q9p s LYS 55 Cb -0.04 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1q9p s LYS 55 CO -0.00 -0.01 -0.10 0.14 -0.92 0.00 0.00 175.35 174.46 1q9p s VAL 56 N 1.19 1.38 -0.07 3.17 -7.23 0.16 -4.79 120.40 114.21 1q9p s VAL 56 Ca 0.06 -2.11 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1q9p s VAL 56 Cb -0.14 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 1q9p s VAL 56 CO 0.05 -0.60 0.14 -0.13 -0.31 0.00 0.00 175.10 174.25 1q9p s ARG 57 N -3.73 3.39 -0.11 4.82 0.52 -0.83 0.75 118.95 123.78 1q9p s ARG 57 Ca 0.21 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 1q9p s ARG 57 Cb 0.02 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 1q9p s ARG 57 CO 0.05 0.73 -0.20 -1.14 0.02 0.00 0.00 175.30 174.76 1q9p s GLN 58 N -1.40 3.11 -0.17 3.54 0.74 -0.57 -1.11 119.66 123.79 1q9p s GLN 58 Ca 0.20 -0.80 -0.02 0.00 0.05 0.00 0.00 55.36 54.79 1q9p s GLN 58 Cb -0.12 -2.42 -0.01 0.00 1.10 0.00 0.00 33.01 31.56 1q9p s GLN 58 CO 0.10 0.23 -0.08 0.71 -0.55 0.00 0.00 175.29 175.70 1q9p s TYR 59 N 0.25 2.91 0.19 1.67 2.02 -1.11 -3.66 117.35 119.61 1q9p s TYR 59 Ca -0.13 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 55.88 1q9p s TYR 59 Cb -0.16 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1q9p s TYR 59 CO 0.07 -0.33 0.26 -0.51 -1.57 0.00 0.00 175.55 173.46 1q9p s ASP 60 N 0.82 6.02 -1.18 2.29 1.01 -1.26 -2.56 116.67 121.81 1q9p s ASP 60 Ca -0.03 0.01 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 1q9p s ASP 60 Cb -0.15 -1.71 0.01 0.00 1.01 0.00 0.00 42.92 42.08 1q9p s ASP 60 CO 0.01 0.01 1.03 0.00 0.21 0.00 0.00 175.17 176.43 1q9p n GLN 61 N -0.82 -6.91 -4.06 8.23 6.02 -1.26 -5.01 117.38 113.58 1q9p n GLN 61 Ca -0.08 0.74 -0.30 0.00 -0.01 0.00 0.00 57.00 57.35 1q9p n GLN 61 Cb 0.55 -5.50 -0.06 0.00 1.02 0.00 0.00 30.24 26.25 1q9p n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1q9p s ILE 62 N -3.29 4.51 -0.12 5.09 1.10 -1.23 -4.96 121.20 122.30 1q9p s ILE 62 Ca 0.44 -0.82 -0.00 0.00 -0.51 0.00 0.00 60.65 59.76 1q9p s ILE 62 Cb -0.20 -3.19 -0.02 0.00 0.15 0.00 0.00 42.46 39.20 1q9p s ILE 62 CO 0.65 0.09 -0.10 -0.51 -2.11 0.00 0.00 174.94 172.96 1q9p s ILE 63 N -1.43 3.37 -0.01 2.00 2.07 -1.26 -2.45 121.20 123.49 1q9p s ILE 63 Ca 0.29 -0.56 0.07 0.00 -1.41 0.00 0.00 60.65 59.04 1q9p s ILE 63 Cb -0.12 -2.41 -0.02 0.00 0.13 0.00 0.00 42.46 40.04 1q9p s ILE 63 CO 0.22 0.54 -0.24 -0.51 -1.91 0.00 0.00 174.94 173.04 1q9p s ILE 64 N 0.03 1.86 -0.15 2.00 2.07 -0.32 -4.68 121.20 122.00 1q9p s ILE 64 Ca -0.03 -1.05 -0.01 0.00 -1.41 0.00 0.00 60.65 58.16 1q9p s ILE 64 Cb -0.14 -1.56 -0.01 0.00 0.13 0.00 0.00 42.46 40.88 1q9p s ILE 64 CO 0.04 0.49 -0.11 -1.61 -1.91 0.00 0.00 174.94 171.83 1q9p s GLU 65 N -0.65 3.37 -0.12 3.50 2.02 -0.99 -2.18 118.70 123.65 1q9p s GLU 65 Ca 0.09 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1q9p s GLU 65 Cb -0.09 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.44 1q9p s GLU 65 CO -0.00 0.11 -0.15 0.42 0.02 0.00 0.00 175.26 175.66 1q9p s ILE 66 N 0.63 1.49 0.00 -1.63 1.01 -1.01 -2.09 121.20 119.60 1q9p s ILE 66 Ca -0.06 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1q9p s ILE 66 Cb -0.15 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.94 1q9p s ILE 66 CO 0.03 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.41 1q9p n ALA 67 N 4.33 0.00 -1.22 9.38 0.00 -1.26 -1.32 120.51 130.41 1q9p n ALA 67 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.25 1q9p n ALA 67 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 -0.04 3.25 0.00 0.00 -1.26 -5.14 105.19 102.01 1q9p n GLY 68 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.29 -0.06 1.61 4.02 -0.43 -5.12 115.29 117.60 1q9p s HIS 69 Ca 0.00 -0.63 -0.16 0.00 1.02 0.00 0.00 55.06 55.30 1q9p s HIS 69 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.58 30.01 1q9p s HIS 69 CO 0.00 -0.17 0.41 0.15 1.02 0.00 0.00 174.74 176.15 1q9p s LYS 70 N -0.23 4.09 -0.02 1.40 1.02 -1.26 -2.40 119.74 122.34 1q9p s LYS 70 Ca -0.01 0.38 -0.07 0.00 0.02 0.00 0.00 55.97 56.30 1q9p s LYS 70 Cb -0.13 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 1q9p s LYS 70 CO 0.02 0.47 0.15 0.00 -0.92 0.00 0.00 175.35 175.08 1q9p s ALA 71 N -0.36 -0.37 -0.05 5.17 0.00 -0.93 -4.61 121.76 120.61 1q9p s ALA 71 Ca 0.23 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.34 1q9p s ALA 71 Cb -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1q9p s ALA 71 CO 0.11 -0.17 -0.24 0.42 0.00 0.00 0.00 175.76 175.88 1q9p s ILE 72 N -0.89 1.98 -0.04 0.00 1.01 -1.26 -1.17 121.20 120.83 1q9p s ILE 72 Ca -0.10 -1.04 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 1q9p s ILE 72 Cb -0.05 -1.67 0.08 0.00 0.01 0.00 0.00 42.46 40.82 1q9p s ILE 72 CO 0.01 0.55 1.06 0.61 0.00 0.00 0.00 174.94 177.18 1q9p n GLY 73 N 2.86 0.24 3.78 6.18 0.00 -1.03 -5.00 105.19 112.22 1q9p n GLY 73 Ca -0.17 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.03 3.97 -0.19 2.61 2.01 -1.26 -3.54 115.64 117.21 1q9p s THR 74 Ca 0.25 1.65 -0.04 0.00 0.31 0.00 0.00 61.69 63.86 1q9p s THR 74 Cb -0.00 -3.93 0.08 0.00 0.01 0.00 0.00 72.50 68.66 1q9p s THR 74 CO -0.01 0.15 0.16 -0.69 -0.69 0.00 0.00 174.62 173.54 1q9p s VAL 75 N -1.54 -0.22 -0.21 3.82 1.01 -1.06 -5.04 120.40 117.15 1q9p s VAL 75 Ca 0.51 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1q9p s VAL 75 Cb -0.22 -0.64 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1q9p s VAL 75 CO 0.28 -0.25 0.85 -0.76 0.00 0.00 0.00 175.10 175.22 1q9p s LEU 76 N 2.24 4.12 -0.05 3.92 1.02 -1.26 -2.76 118.68 125.92 1q9p s LEU 76 Ca 0.05 1.13 0.05 0.00 0.02 0.00 0.00 54.13 55.38 1q9p s LEU 76 Cb -0.16 -3.25 -0.02 0.00 0.02 0.00 0.00 46.19 42.78 1q9p s LEU 76 CO -0.11 -0.48 -0.17 -0.69 0.02 0.00 0.00 176.35 174.91 1q9p s VAL 77 N 2.58 2.79 0.00 -1.59 1.01 -0.27 -2.43 120.40 122.49 1q9p s VAL 77 Ca 0.37 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1q9p s VAL 77 Cb -0.16 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1q9p s VAL 77 CO 0.09 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1q9p n GLY 78 N 2.40 1.12 0.18 4.51 0.00 -1.01 -1.96 105.19 110.43 1q9p n GLY 78 Ca -0.17 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.31 1q9p n GLY 78 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q9p h PRO 79 N 0.00 0.00 -5.81 1.61 0.11 -1.87 -1.06 132.00 124.98 1q9p h PRO 79 Ca 0.00 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 65.37 1q9p h PRO 79 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1q9p h PRO 79 CO 0.00 0.00 1.31 -2.37 -0.21 0.00 0.00 178.00 176.73 1q9p n THR 80 N -2.22 0.00 -1.48 -1.15 5.66 -1.26 -4.76 114.28 109.07 1q9p n THR 80 Ca -0.01 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.55 1q9p n THR 80 Cb 0.17 -0.49 -0.01 0.00 -1.55 0.00 0.00 70.33 68.46 1q9p n THR 80 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1q9p n PRO 81 N 7.36 0.66 0.00 1.09 -0.02 -1.26 -3.54 135.00 139.29 1q9p n PRO 81 Ca 0.54 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1q9p n PRO 81 Cb -0.04 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1q9p n PRO 81 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1q9p n VAL 82 N -0.41 0.00 -4.60 -1.45 0.31 -1.26 -4.61 118.33 106.30 1q9p n VAL 82 Ca 0.12 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 1q9p n VAL 82 Cb 0.35 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.12 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 -3.14 1.70 -0.04 4.52 0.01 -1.26 -0.92 114.94 115.82 1q9p s ASN 83 Ca 0.00 -0.28 0.04 0.00 -0.71 0.00 0.00 52.86 51.92 1q9p s ASN 83 Cb 0.00 -0.54 -0.00 0.00 0.41 0.00 0.00 41.25 41.11 1q9p s ASN 83 CO 0.00 0.09 -0.16 -0.51 -1.51 0.00 0.00 177.10 175.01 1q9p s ILE 84 N 0.25 1.35 -0.11 0.60 2.07 -0.91 -1.96 121.20 122.50 1q9p s ILE 84 Ca -0.06 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 1q9p s ILE 84 Cb -0.11 -1.16 -0.02 0.00 0.13 0.00 0.00 42.46 41.30 1q9p s ILE 84 CO 0.02 0.39 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.70 1q9p s ILE 85 N -0.04 3.26 0.19 2.00 1.01 -0.96 -2.57 121.20 124.08 1q9p s ILE 85 Ca -0.02 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1q9p s ILE 85 Cb -0.10 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1q9p s ILE 85 CO 0.01 0.54 0.16 0.61 0.00 0.00 0.00 174.94 176.26 1q9p n GLY 86 N 3.15 2.82 0.32 6.18 0.00 -1.05 -2.52 105.19 114.09 1q9p n GLY 86 Ca -0.18 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.81 1q9p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1q9p h ARG 87 N 0.00 0.00 -0.61 1.61 3.08 -1.89 -2.51 114.38 114.06 1q9p h ARG 87 Ca -0.12 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.02 1q9p h ARG 87 Cb 0.44 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1q9p h ARG 87 CO 0.18 0.00 0.26 -0.97 -1.07 0.00 0.00 179.97 178.37 1q9p h ASN 88 N 0.00 0.29 0.24 7.04 -1.24 -1.93 0.16 115.58 120.15 1q9p h ASN 88 Ca 0.03 0.07 -0.34 0.00 0.71 0.00 0.00 56.30 56.76 1q9p h ASN 88 Cb 0.19 0.03 0.01 0.00 0.73 0.00 0.00 38.32 39.27 1q9p h ASN 88 CO -0.00 0.18 -1.72 -0.07 -1.29 0.00 0.00 177.43 174.53 1q9p h LEU 89 N 0.46 0.58 -0.83 0.34 4.07 -1.76 -3.26 115.31 114.91 1q9p h LEU 89 Ca 0.30 -0.86 0.02 0.00 0.08 0.00 0.00 57.88 57.42 1q9p h LEU 89 Cb 0.34 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 1q9p h LEU 89 CO -0.27 1.72 0.54 -0.07 -1.08 0.00 0.00 178.44 179.28 1q9p h LEU 90 N 0.10 0.92 -1.02 1.67 3.38 -1.32 -2.02 115.31 117.01 1q9p h LEU 90 Ca -0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1q9p h LEU 90 Cb 2.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 1q9p h LEU 90 CO 0.18 0.65 0.27 0.74 0.09 0.00 0.00 178.44 180.37 1q9p h THR 91 N 1.08 1.23 -3.44 0.22 2.02 -0.82 -3.40 112.91 109.80 1q9p h THR 91 Ca 0.32 -0.71 -0.61 0.00 0.77 0.00 0.00 66.41 66.18 1q9p h THR 91 Cb -0.07 0.43 -0.12 0.00 -1.74 0.00 0.00 68.15 66.64 1q9p h THR 91 CO -0.09 0.29 -0.39 -1.58 0.37 0.00 0.00 175.52 174.12 1q9p s GLN 92 N -5.46 4.16 0.00 6.66 2.00 -0.76 -4.85 119.66 121.41 1q9p s GLN 92 Ca -0.11 -0.07 0.00 0.00 -2.00 0.00 0.00 55.36 53.18 1q9p s GLN 92 Cb 0.16 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.48 1q9p s GLN 92 CO 0.81 0.12 0.01 1.51 -0.50 0.00 0.00 175.29 177.24 1q9p n ILE 93 N 4.01 0.00 -2.11 -2.34 3.06 -1.26 -4.78 119.36 115.94 1q9p n ILE 93 Ca -0.13 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 59.84 1q9p n ILE 93 Cb 0.52 0.05 0.18 0.00 0.54 0.00 0.00 39.64 40.93 1q9p n ILE 93 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1q9p s GLY 94 N 0.00 1.79 0.00 4.50 0.00 -1.26 -4.85 107.32 107.51 1q9p s GLY 94 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1q9p s GLY 94 CO 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 173.10 172.44