#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 0.88 -5.93 0.54 4.15 -2.14 -3.40 115.11 109.21 1q9p h GLN 2 Ca 0.00 -0.05 -0.68 0.00 0.77 0.00 0.00 58.65 58.68 1q9p h GLN 2 Cb 0.00 -0.20 -0.29 0.00 0.21 0.00 0.00 27.48 27.20 1q9p h GLN 2 CO 0.00 0.58 -0.84 0.42 -1.93 0.00 0.00 178.83 177.06 1q9p s ILE 3 N -5.81 2.45 0.23 2.39 1.01 -1.26 -5.13 121.20 115.08 1q9p s ILE 3 Ca -0.11 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 59.72 1q9p s ILE 3 Cb 0.20 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1q9p s ILE 3 CO 0.79 0.57 -0.18 0.42 0.00 0.00 0.00 174.94 176.54 1q9p s THR 4 N -0.17 2.09 -0.09 2.92 -4.23 -1.26 -5.14 115.64 109.76 1q9p s THR 4 Ca -0.02 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1q9p s THR 4 Cb -0.14 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.61 1q9p s THR 4 CO 0.04 -0.43 -0.07 -1.48 -0.54 0.00 0.00 174.62 172.14 1q9p s LEU 5 N -3.23 1.19 0.25 4.79 2.34 -1.26 -5.02 118.68 117.74 1q9p s LEU 5 Ca 0.24 -0.23 -0.05 0.00 0.06 0.00 0.00 54.13 54.14 1q9p s LEU 5 Cb -0.04 -0.70 0.27 0.00 -0.56 0.00 0.00 46.19 45.16 1q9p s LEU 5 CO 0.10 -0.09 1.88 -0.50 -1.06 0.00 0.00 176.35 176.68 1q9p h TRP 6 N 7.81 1.18 -4.02 3.48 4.06 -2.08 -3.43 115.95 122.95 1q9p h TRP 6 Ca -0.29 -0.02 -0.48 0.00 2.06 0.00 0.00 58.89 60.15 1q9p h TRP 6 Cb 1.14 -0.38 -0.23 0.00 -1.00 0.00 0.00 29.16 28.69 1q9p h TRP 6 CO 0.48 0.81 -0.80 0.15 -3.56 0.00 0.00 178.44 175.52 1q9p s LYS 7 N -5.82 1.02 0.44 0.49 1.02 -1.26 -5.13 119.74 110.51 1q9p s LYS 7 Ca -0.12 -0.92 -0.23 0.00 0.02 0.00 0.00 55.97 54.72 1q9p s LYS 7 Cb 0.17 -1.10 -0.08 0.00 -0.52 0.00 0.00 37.83 36.30 1q9p s LYS 7 CO 0.82 0.26 1.13 1.03 -0.92 0.00 0.00 175.35 177.67 1q9p s ARG 8 N -1.45 3.87 0.30 1.68 0.52 -1.26 -4.95 118.95 117.66 1q9p s ARG 8 Ca 0.03 1.69 0.01 0.00 -0.52 0.00 0.00 55.73 56.93 1q9p s ARG 8 Cb -0.09 -2.43 0.48 0.00 0.52 0.00 0.00 34.95 33.43 1q9p s ARG 8 CO 0.02 -0.43 1.83 -1.00 0.02 0.00 0.00 175.30 175.74 1q9p h PRO 9 N 2.16 0.68 -6.24 3.54 0.13 -2.00 -3.43 132.00 126.84 1q9p h PRO 9 Ca -0.49 -0.15 -0.57 0.00 -0.87 0.00 0.00 66.00 63.92 1q9p h PRO 9 Cb 1.24 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1q9p h PRO 9 CO 0.61 0.67 -0.10 -0.51 -0.23 0.00 0.00 178.00 178.43 1q9p s LEU 10 N -9.17 4.40 0.04 1.56 1.43 -1.26 -5.09 118.68 110.60 1q9p s LEU 10 Ca -0.09 1.09 0.04 0.00 -1.03 0.00 0.00 54.13 54.14 1q9p s LEU 10 Cb 0.15 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1q9p s LEU 10 CO 0.79 0.18 -0.11 0.54 0.23 0.00 0.00 176.35 177.98 1q9p s VAL 11 N -1.32 0.85 0.16 -1.59 0.11 -1.26 -5.16 120.40 112.20 1q9p s VAL 11 Ca 0.33 -0.97 0.10 0.00 -2.93 0.00 0.00 61.98 58.51 1q9p s VAL 11 Cb -0.16 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1q9p s VAL 11 CO 0.18 -0.13 -0.23 0.42 -3.33 0.00 0.00 175.10 172.01 1q9p s THR 12 N -0.98 2.13 0.22 5.04 -4.23 -1.26 -4.38 115.64 112.18 1q9p s THR 12 Ca -0.02 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1q9p s THR 12 Cb -0.08 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 1q9p s THR 12 CO 0.01 -0.11 -0.04 0.27 -0.54 0.00 0.00 174.62 174.21 1q9p s ILE 13 N -1.55 1.20 -0.19 2.99 -4.36 -1.03 -4.27 121.20 113.99 1q9p s ILE 13 Ca 0.16 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 1q9p s ILE 13 Cb -0.08 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.42 1q9p s ILE 13 CO 0.08 -0.42 -0.14 -0.75 0.24 0.00 0.00 174.94 173.94 1q9p s LYS 14 N -3.81 2.42 -0.06 0.37 2.20 -1.04 -2.54 119.74 117.28 1q9p s LYS 14 Ca 0.26 -0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1q9p s LYS 14 Cb 0.04 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.94 1q9p s LYS 14 CO 0.07 -0.33 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.22 1q9p s ILE 15 N 1.35 0.43 0.00 5.43 2.07 -0.30 -2.53 121.20 127.65 1q9p s ILE 15 Ca 0.01 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 1q9p s ILE 15 Cb -0.15 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1q9p s ILE 15 CO -0.10 0.24 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 1q9p n GLY 16 N 4.71 0.23 0.40 1.50 0.00 -1.26 -1.38 105.19 109.39 1q9p n GLY 16 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.82 0.66 3.57 -0.02 0.00 -1.26 -5.07 105.19 102.25 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 -0.85 2.15 -0.18 1.61 -0.21 -0.48 -5.11 119.66 116.58 1q9p s GLN 18 Ca 0.00 -1.01 -0.14 0.00 0.02 0.00 0.00 55.36 54.23 1q9p s GLN 18 Cb 0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1q9p s GLN 18 CO 0.00 0.52 0.32 -0.51 -2.12 0.00 0.00 175.29 173.50 1q9p s LEU 19 N -2.12 4.20 0.13 2.90 1.02 -1.26 -1.15 118.68 122.40 1q9p s LEU 19 Ca 0.21 0.48 0.04 0.00 0.02 0.00 0.00 54.13 54.88 1q9p s LEU 19 Cb -0.11 -2.41 -0.04 0.00 0.02 0.00 0.00 46.19 43.65 1q9p s LEU 19 CO 0.13 0.04 -0.10 -0.54 0.02 0.00 0.00 176.35 175.89 1q9p s LYS 20 N 0.80 0.98 -0.07 1.70 1.02 -1.05 -5.01 119.74 118.11 1q9p s LYS 20 Ca 0.17 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1q9p s LYS 20 Cb -0.14 -0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 36.57 1q9p s LYS 20 CO 0.05 0.07 -0.04 -2.00 -0.92 0.00 0.00 175.35 172.51 1q9p s GLU 21 N -3.46 2.82 0.03 1.68 2.12 -1.26 -2.45 118.70 118.17 1q9p s GLU 21 Ca 0.13 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 1q9p s GLU 21 Cb 0.01 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 1q9p s GLU 21 CO 0.00 0.67 0.04 0.00 -0.54 0.00 0.00 175.26 175.43 1q9p s ALA 22 N -0.85 0.06 -0.03 6.30 0.00 -1.26 -4.34 121.76 121.65 1q9p s ALA 22 Ca 0.13 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 1q9p s ALA 22 Cb -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1q9p s ALA 22 CO 0.02 -0.26 0.10 -0.51 0.00 0.00 0.00 175.76 175.11 1q9p s LEU 23 N -1.96 4.03 0.03 0.00 1.43 -1.04 -4.82 118.68 116.35 1q9p s LEU 23 Ca -0.08 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.06 1q9p s LEU 23 Cb -0.03 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 1q9p s LEU 23 CO -0.04 0.30 0.54 -0.76 0.23 0.00 0.00 176.35 176.62 1q9p s LEU 24 N -1.63 4.48 -0.31 1.79 1.02 -1.26 -1.91 118.68 120.86 1q9p s LEU 24 Ca 0.22 1.16 -0.01 0.00 0.02 0.00 0.00 54.13 55.53 1q9p s LEU 24 Cb -0.12 -2.83 0.13 0.00 0.02 0.00 0.00 46.19 43.39 1q9p s LEU 24 CO 0.13 0.23 0.27 -0.62 0.02 0.00 0.00 176.35 176.38 1q9p s ASP 25 N -0.83 2.08 0.59 2.29 2.15 -0.68 -4.93 116.67 117.36 1q9p s ASP 25 Ca 0.28 -1.10 0.39 0.00 0.43 0.00 0.00 52.55 52.55 1q9p s ASP 25 Cb -0.18 0.27 1.96 0.00 -0.30 0.00 0.00 42.92 44.66 1q9p s ASP 25 CO 0.17 -0.37 2.18 0.74 -0.17 0.00 0.00 175.17 177.72 1q9p h THR 26 N 6.02 0.00 0.00 1.71 2.02 -1.92 -1.81 112.91 118.93 1q9p h THR 26 Ca -0.10 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1q9p h THR 26 Cb 1.05 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1q9p h THR 26 CO 0.33 0.00 -1.07 0.61 0.37 0.00 0.00 175.52 175.76 1q9p n GLY 27 N -0.68 -1.22 0.33 2.16 0.00 -1.26 -4.24 105.19 100.27 1q9p n GLY 27 Ca -0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 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 2.46 1.12 0.00 4.61 0.00 -1.65 -3.45 119.26 122.36 1q9p h ALA 28 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1q9p h ALA 28 Cb 0.77 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1q9p h ALA 28 CO 0.00 0.44 0.00 -3.47 0.00 0.00 0.00 179.25 176.22 1q9p n ASP 29 N -4.52 0.00 -4.88 0.00 2.03 -1.26 -4.85 116.55 103.07 1q9p n ASP 29 Ca 0.10 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.18 1q9p n ASP 29 Cb 0.06 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.43 1q9p n ASP 29 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1q9p s ASP 30 N 0.00 5.90 -0.06 1.67 1.01 -1.26 -4.19 116.67 119.74 1q9p s ASP 30 Ca 0.00 -0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.23 1q9p s ASP 30 Cb 0.00 -1.63 0.01 0.00 1.01 0.00 0.00 42.92 42.30 1q9p s ASP 30 CO 0.00 -0.02 -0.15 -0.89 0.21 0.00 0.00 175.17 174.33 1q9p s THR 31 N -1.96 1.29 0.03 -1.27 2.01 -1.26 -3.21 115.64 111.27 1q9p s THR 31 Ca 0.33 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 1q9p s THR 31 Cb -0.09 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1q9p s THR 31 CO 0.26 0.38 0.02 0.68 -0.69 0.00 0.00 174.62 175.28 1q9p s VAL 32 N 0.41 0.14 -0.05 3.82 -7.23 -1.06 -3.48 120.40 112.94 1q9p s VAL 32 Ca -0.11 -1.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.99 1q9p s VAL 32 Cb -0.14 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.06 1q9p s VAL 32 CO 0.04 -0.63 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.33 1q9p s ILE 33 N -2.31 1.99 0.53 -0.62 1.01 -0.94 -1.82 121.20 119.04 1q9p s ILE 33 Ca -0.08 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.33 1q9p s ILE 33 Cb -0.03 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 1q9p s ILE 33 CO -0.04 0.56 1.05 1.21 0.00 0.00 0.00 174.94 177.71 1q9p n GLU 34 N 2.91 1.20 -2.19 2.79 2.13 0.35 -2.41 120.64 125.43 1q9p n GLU 34 Ca -0.17 0.45 -0.41 0.00 0.66 0.00 0.00 57.16 57.69 1q9p n GLU 34 Cb 0.52 -2.20 -0.03 0.00 0.27 0.00 0.00 31.44 30.00 1q9p n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1q9p s GLU 35 N -2.52 4.41 0.00 5.31 2.12 -1.26 -4.66 118.70 122.09 1q9p s GLU 35 Ca 0.71 2.13 0.00 0.00 0.36 0.00 0.00 54.97 58.16 1q9p s GLU 35 Cb -0.46 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1q9p s GLU 35 CO 0.51 -0.13 0.00 -1.33 -0.54 0.00 0.00 175.26 173.77 1q9p n MET 36 N 1.17 0.00 0.00 4.30 2.81 -1.26 -5.03 117.12 119.11 1q9p n MET 36 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1q9p n MET 36 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.93 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 0.00 0.00 -3.28 7.83 3.41 -1.26 -4.90 113.62 115.42 1q9p n SER 37 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 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 0.18 -0.16 0.00 0.00 175.04 175.06 1q9p n LEU 38 N 0.00 -5.28 0.00 1.04 4.32 -1.26 -5.01 117.00 110.81 1q9p n LEU 38 Ca 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 56.01 55.69 1q9p n LEU 38 Cb 0.00 -2.76 0.00 0.00 -1.62 0.00 0.00 43.42 39.04 1q9p n LEU 38 CO 0.00 -0.73 0.00 -0.81 -1.22 0.00 0.00 177.39 174.63 1q9p n PRO 39 N -1.87 0.00 -0.81 3.23 -0.04 -1.26 -4.94 135.00 129.30 1q9p n PRO 39 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1q9p n PRO 39 Cb 0.56 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.05 1q9p n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q9p n GLY 40 N 3.65 -3.77 1.78 0.55 0.00 -1.26 -4.60 105.19 101.53 1q9p n GLY 40 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1q9p n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q9p n ARG 41 N 2.03 -1.71 -3.94 1.61 3.00 -1.26 -5.05 116.66 111.33 1q9p n ARG 41 Ca -0.02 1.59 -0.29 0.00 -0.00 0.00 0.00 57.85 59.14 1q9p n ARG 41 Cb 0.46 -2.34 -0.16 0.00 0.00 0.00 0.00 32.46 30.42 1q9p n ARG 41 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1q9p s TRP 42 N -0.23 1.91 -0.65 -0.14 0.52 -1.26 -4.93 118.94 114.15 1q9p s TRP 42 Ca -0.08 -1.16 0.05 0.00 0.02 0.00 0.00 56.10 54.93 1q9p s TRP 42 Cb 0.01 -1.43 0.16 0.00 -1.15 0.00 0.00 33.47 31.06 1q9p s TRP 42 CO 0.21 -0.64 0.45 0.15 0.02 0.00 0.00 176.95 177.15 1q9p s LYS 43 N 1.57 2.25 0.29 4.98 -0.14 -1.25 -4.99 119.74 122.44 1q9p s LYS 43 Ca 0.02 -3.14 -0.28 0.00 -1.36 0.00 0.00 55.97 51.21 1q9p s LYS 43 Cb -0.14 -3.20 -0.14 0.00 -1.68 0.00 0.00 37.83 32.67 1q9p s LYS 43 CO -0.09 -1.28 1.09 -2.30 -0.76 0.00 0.00 175.35 172.02 1q9p n PRO 44 N 2.19 1.53 -4.05 -1.68 -0.02 -1.26 -2.26 135.00 129.46 1q9p n PRO 44 Ca 0.19 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1q9p n PRO 44 Cb 0.36 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.50 0.38 -0.27 -0.52 2.20 0.23 -4.92 119.74 115.33 1q9p s LYS 45 Ca 0.59 -0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 55.59 1q9p s LYS 45 Cb -0.68 -0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 35.40 1q9p s LYS 45 CO 0.60 0.05 0.48 -1.64 -0.36 0.00 0.00 175.35 174.47 1q9p s MET 46 N -0.87 4.00 0.05 4.03 -1.94 -1.26 -2.04 119.30 121.28 1q9p s MET 46 Ca -0.06 0.19 0.01 0.00 -1.71 0.00 0.00 55.69 54.12 1q9p s MET 46 Cb -0.06 -3.67 -0.03 0.00 2.01 0.00 0.00 34.83 33.08 1q9p s MET 46 CO -0.00 -0.37 -0.06 -1.50 -0.01 0.00 0.00 175.02 173.09 1q9p s ILE 47 N 2.25 0.44 0.00 2.53 1.10 -0.98 -4.90 121.20 121.65 1q9p s ILE 47 Ca 0.19 -1.40 0.00 0.00 -0.51 0.00 0.00 60.65 58.93 1q9p s ILE 47 Cb -0.16 -0.98 0.00 0.00 0.15 0.00 0.00 42.46 41.48 1q9p s ILE 47 CO 0.10 -0.64 0.00 0.61 -2.11 0.00 0.00 174.94 172.90 1q9p n GLY 48 N 0.86 1.85 4.42 1.50 0.00 -1.25 0.12 105.19 112.69 1q9p n GLY 48 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.82 0.31 -0.02 0.00 -1.05 -4.22 105.19 98.40 1q9p n GLY 49 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 46.02 44.45 1q9p n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1q9p h ILE 50 N 0.00 1.09 -0.79 -0.61 2.04 -2.03 -1.52 117.51 115.69 1q9p h ILE 50 Ca 0.00 -0.19 0.20 0.00 1.00 0.00 0.00 64.86 65.88 1q9p h ILE 50 Cb 0.00 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1q9p h ILE 50 CO 0.00 0.10 0.55 1.23 0.00 0.00 0.00 178.15 180.03 1q9p h GLY 51 N 0.54 0.36 0.00 5.37 0.00 -2.01 -3.45 103.07 103.87 1q9p h GLY 51 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1q9p h GLY 51 CO -0.04 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1q9p n GLY 52 N -1.61 2.39 3.46 4.60 0.00 -0.57 -5.15 105.19 108.31 1q9p n GLY 52 Ca 0.16 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 2.97 0.04 1.61 0.08 -1.26 -2.52 117.98 116.90 1q9p s PHE 53 Ca 0.00 -0.42 0.07 0.00 0.12 0.00 0.00 56.93 56.71 1q9p s PHE 53 Cb 0.00 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1q9p s PHE 53 CO 0.00 -0.11 -0.20 0.42 -0.10 0.00 0.00 175.22 175.24 1q9p s ILE 54 N 0.43 2.66 -0.30 0.64 1.01 0.33 -4.91 121.20 121.06 1q9p s ILE 54 Ca -0.05 -1.20 -0.24 0.00 0.00 0.00 0.00 60.65 59.16 1q9p s ILE 54 Cb -0.15 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.23 1q9p s ILE 54 CO 0.03 0.36 0.79 -0.75 0.00 0.00 0.00 174.94 175.38 1q9p s LYS 55 N -1.34 4.00 0.12 2.79 2.20 -1.26 -2.31 119.74 123.93 1q9p s LYS 55 Ca 0.14 0.64 0.11 0.00 -0.36 0.00 0.00 55.97 56.50 1q9p s LYS 55 Cb -0.10 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1q9p s LYS 55 CO 0.04 -0.65 -0.27 0.08 -0.36 0.00 0.00 175.35 174.19 1q9p s VAL 56 N 2.94 2.21 -0.19 4.02 1.01 -0.86 -4.93 120.40 124.59 1q9p s VAL 56 Ca 0.33 -1.69 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1q9p s VAL 56 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1q9p s VAL 56 CO 0.12 0.12 0.15 -0.13 0.00 0.00 0.00 175.10 175.36 1q9p s ARG 57 N -1.92 4.19 -0.18 2.72 3.00 -1.01 -0.60 118.95 125.14 1q9p s ARG 57 Ca 0.13 -0.18 -0.05 0.00 0.00 0.00 0.00 55.73 55.63 1q9p s ARG 57 Cb -0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 34.95 31.40 1q9p s ARG 57 CO 0.05 0.30 0.00 -1.14 0.00 0.00 0.00 175.30 174.52 1q9p s GLN 58 N 0.36 3.73 -0.21 3.54 0.74 -0.96 -0.19 119.66 126.66 1q9p s GLN 58 Ca 0.09 -0.47 -0.05 0.00 0.05 0.00 0.00 55.36 54.97 1q9p s GLN 58 Cb -0.11 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 30.92 1q9p s GLN 58 CO -0.01 0.16 0.01 -0.47 -0.55 0.00 0.00 175.29 174.43 1q9p s TYR 59 N 0.61 3.04 0.25 1.67 6.14 -1.12 -3.95 117.35 123.98 1q9p s TYR 59 Ca -0.00 -0.50 0.08 0.00 0.64 0.00 0.00 57.07 57.29 1q9p s TYR 59 Cb -0.14 -2.12 -0.04 0.00 0.42 0.00 0.00 41.96 40.08 1q9p s TYR 59 CO 0.02 -0.30 0.09 -0.51 0.64 0.00 0.00 175.55 175.49 1q9p s ASP 60 N 1.19 5.02 -1.36 4.32 1.01 -1.26 -2.00 116.67 123.58 1q9p s ASP 60 Ca 0.03 -0.43 -0.09 0.00 0.71 0.00 0.00 52.55 52.77 1q9p s ASP 60 Cb -0.14 -1.12 0.01 0.00 1.01 0.00 0.00 42.92 42.67 1q9p s ASP 60 CO 0.02 -0.00 1.18 0.00 0.21 0.00 0.00 175.17 176.57 1q9p n GLN 61 N -0.90 -7.87 -4.37 8.23 6.02 -1.26 -5.00 117.38 112.23 1q9p n GLN 61 Ca -0.07 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.43 1q9p n GLN 61 Cb 0.58 -5.87 -0.10 0.00 1.02 0.00 0.00 30.24 25.86 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 -3.32 3.51 -0.08 5.09 2.07 -1.26 -4.99 121.20 122.23 1q9p s ILE 62 Ca 0.58 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 1q9p s ILE 62 Cb -0.26 -2.58 -0.02 0.00 0.13 0.00 0.00 42.46 39.73 1q9p s ILE 62 CO 0.73 0.26 -0.12 -0.51 -1.91 0.00 0.00 174.94 173.40 1q9p s ILE 63 N -1.10 3.21 0.05 2.00 2.07 -1.26 -2.44 121.20 123.73 1q9p s ILE 63 Ca 0.19 -0.65 0.06 0.00 -1.41 0.00 0.00 60.65 58.84 1q9p s ILE 63 Cb -0.11 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.15 1q9p s ILE 63 CO 0.11 0.57 -0.16 -0.51 -1.91 0.00 0.00 174.94 173.03 1q9p s ILE 64 N -0.39 1.31 -0.27 2.00 2.07 0.48 -4.81 121.20 121.59 1q9p s ILE 64 Ca 0.05 -1.16 -0.09 0.00 -1.41 0.00 0.00 60.65 58.03 1q9p s ILE 64 Cb -0.12 -1.18 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 1q9p s ILE 64 CO 0.02 0.00 0.14 -1.61 -1.91 0.00 0.00 174.94 171.58 1q9p s GLU 65 N -1.34 3.77 -0.09 3.50 0.41 -1.05 -1.61 118.70 122.30 1q9p s GLU 65 Ca 0.03 -0.42 0.02 0.00 -0.41 0.00 0.00 54.97 54.19 1q9p s GLU 65 Cb -0.09 -3.51 0.02 0.00 -1.78 0.00 0.00 34.13 28.77 1q9p s GLU 65 CO 0.02 -0.20 -0.12 0.42 -0.49 0.00 0.00 175.26 174.88 1q9p s ILE 66 N 1.69 1.23 -1.67 -1.63 1.01 0.89 -2.50 121.20 120.21 1q9p s ILE 66 Ca 0.07 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1q9p s ILE 66 Cb -0.16 -1.14 0.14 0.00 0.01 0.00 0.00 42.46 41.31 1q9p s ILE 66 CO 0.07 0.38 0.68 0.00 0.00 0.00 0.00 174.94 176.07 1q9p n ALA 67 N 4.11 -1.40 -1.14 9.38 0.00 -1.26 0.18 120.51 130.38 1q9p n ALA 67 Ca -0.20 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.11 1q9p n ALA 67 Cb 0.51 -2.98 -0.02 0.00 0.00 0.00 0.00 19.45 16.97 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 -1.52 0.68 3.38 0.00 0.00 -1.26 -5.00 105.19 101.48 1q9p n GLY 68 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.91 2.56 0.32 1.61 4.02 0.48 -5.12 115.29 117.25 1q9p s HIS 69 Ca 0.00 -0.38 -0.20 0.00 1.02 0.00 0.00 55.06 55.50 1q9p s HIS 69 Cb 0.00 -1.61 -0.09 0.00 -1.02 0.00 0.00 32.58 29.86 1q9p s HIS 69 CO 0.00 0.02 0.82 0.15 1.02 0.00 0.00 174.74 176.75 1q9p s LYS 70 N -0.50 4.24 -0.19 1.40 1.02 -1.26 -0.07 119.74 124.38 1q9p s LYS 70 Ca 0.06 0.96 -0.13 0.00 0.02 0.00 0.00 55.97 56.88 1q9p s LYS 70 Cb -0.11 -2.58 0.06 0.00 -0.52 0.00 0.00 37.83 34.67 1q9p s LYS 70 CO 0.01 0.21 0.47 0.00 -0.92 0.00 0.00 175.35 175.12 1q9p s ALA 71 N -1.82 -1.20 -0.09 5.17 0.00 -0.63 -4.92 121.76 118.27 1q9p s ALA 71 Ca 0.52 1.55 0.02 0.00 0.00 0.00 0.00 51.96 54.05 1q9p s ALA 71 Cb -0.13 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1q9p s ALA 71 CO 0.19 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 175.95 1q9p s ILE 72 N 0.93 1.44 -0.21 0.00 1.01 -1.26 -0.39 121.20 122.72 1q9p s ILE 72 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1q9p s ILE 72 Cb -0.06 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1q9p s ILE 72 CO -0.08 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1q9p n GLY 73 N 3.89 -1.16 3.76 6.18 0.00 -1.02 -4.99 105.19 111.84 1q9p n GLY 73 Ca -0.21 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 3.60 -0.21 2.61 2.01 -1.26 -3.99 115.64 116.36 1q9p s THR 74 Ca 0.00 1.60 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 1q9p s THR 74 Cb 0.00 -4.02 0.08 0.00 0.01 0.00 0.00 72.50 68.58 1q9p s THR 74 CO 0.00 0.37 0.16 -0.69 -0.69 0.00 0.00 174.62 173.77 1q9p s VAL 75 N -1.10 -0.19 0.05 3.82 1.01 -0.85 -4.94 120.40 118.21 1q9p s VAL 75 Ca 0.44 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1q9p s VAL 75 Cb -0.31 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 1q9p s VAL 75 CO 0.39 -0.35 1.32 -0.76 0.00 0.00 0.00 175.10 175.70 1q9p s LEU 76 N 2.21 4.34 -0.10 3.92 1.02 -1.23 -2.80 118.68 126.04 1q9p s LEU 76 Ca 0.05 2.12 0.00 0.00 0.02 0.00 0.00 54.13 56.33 1q9p s LEU 76 Cb -0.16 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 1q9p s LEU 76 CO -0.17 -0.62 -0.10 -0.69 0.02 0.00 0.00 176.35 174.79 1q9p s VAL 77 N 1.63 3.38 0.00 -1.59 1.01 0.73 -2.21 120.40 123.36 1q9p s VAL 77 Ca 0.62 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1q9p s VAL 77 Cb -0.32 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1q9p s VAL 77 CO 0.28 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.54 1q9p n GLY 78 N 2.97 1.89 0.00 4.51 0.00 -1.01 -2.40 105.19 111.15 1q9p n GLY 78 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1q9p n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q9p n PRO 79 N 0.00 0.00 -3.33 1.61 -0.02 -1.26 -4.71 135.00 127.29 1q9p n PRO 79 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1q9p n PRO 79 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 1q9p n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1q9p s THR 80 N 0.00 4.83 1.01 3.45 -1.32 -1.26 -5.05 115.64 117.30 1q9p s THR 80 Ca 0.00 0.79 -0.19 0.00 -1.21 0.00 0.00 61.69 61.09 1q9p s THR 80 Cb 0.00 -3.70 0.02 0.00 -1.51 0.00 0.00 72.50 67.31 1q9p s THR 80 CO 0.00 0.12 -0.39 -2.65 -2.21 0.00 0.00 174.62 169.49 1q9p n PRO 81 N 0.44 -1.18 0.00 7.08 -0.02 -1.26 -4.41 135.00 135.65 1q9p n PRO 81 Ca -0.03 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 1q9p n PRO 81 Cb 0.52 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 -4.04 0.00 -4.77 -1.45 0.31 -1.26 -4.66 118.33 102.46 1q9p n VAL 82 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.10 1q9p n VAL 82 Cb 0.55 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.32 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 -4.00 1.94 0.03 4.52 0.01 -1.26 -0.49 114.94 115.68 1q9p s ASN 83 Ca 0.00 -0.30 0.06 0.00 -0.71 0.00 0.00 52.86 51.90 1q9p s ASN 83 Cb 0.00 -0.31 -0.02 0.00 0.41 0.00 0.00 41.25 41.33 1q9p s ASN 83 CO 0.00 0.18 -0.17 -0.51 -1.51 0.00 0.00 177.10 175.10 1q9p s ILE 84 N -0.26 1.32 -0.14 0.60 2.07 -0.75 -2.50 121.20 121.53 1q9p s ILE 84 Ca 0.04 -0.97 -0.02 0.00 -1.41 0.00 0.00 60.65 58.28 1q9p s ILE 84 Cb -0.08 -1.15 -0.02 0.00 0.13 0.00 0.00 42.46 41.34 1q9p s ILE 84 CO 0.00 0.16 -0.06 -0.63 -1.91 0.00 0.00 174.94 172.50 1q9p s ILE 85 N -0.70 3.70 0.53 2.00 1.01 -0.80 -2.58 121.20 124.36 1q9p s ILE 85 Ca 0.05 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.30 1q9p s ILE 85 Cb -0.08 -2.60 0.04 0.00 0.01 0.00 0.00 42.46 39.84 1q9p s ILE 85 CO 0.01 0.51 0.74 -0.83 0.00 0.00 0.00 174.94 175.37 1q9p s GLY 86 N 0.23 1.85 0.60 6.18 0.00 -1.20 -1.68 107.32 113.31 1q9p s GLY 86 Ca -0.04 -1.53 0.37 0.00 0.00 0.00 0.00 44.72 43.52 1q9p s GLY 86 CO 0.03 -1.24 2.19 0.07 0.00 0.00 0.00 173.10 174.15 1q9p h ARG 87 N 0.19 0.00 -0.45 2.90 0.11 -1.77 -2.61 114.38 112.75 1q9p h ARG 87 Ca -0.40 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.72 1q9p h ARG 87 Cb 1.29 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 1q9p h ARG 87 CO 0.48 0.02 0.23 -0.97 0.10 0.00 0.00 179.97 179.83 1q9p h ASN 88 N 0.00 0.33 -0.11 0.08 -1.24 -1.94 0.87 115.58 113.57 1q9p h ASN 88 Ca -0.00 0.02 -0.21 0.00 0.71 0.00 0.00 56.30 56.82 1q9p h ASN 88 Cb 0.23 -0.04 0.01 0.00 0.73 0.00 0.00 38.32 39.26 1q9p h ASN 88 CO 0.00 0.23 -0.76 -0.07 -1.29 0.00 0.00 177.43 175.54 1q9p h LEU 89 N 0.45 0.87 -1.00 0.34 4.07 -1.79 -2.91 115.31 115.34 1q9p h LEU 89 Ca 0.19 -0.65 -0.04 0.00 0.08 0.00 0.00 57.88 57.46 1q9p h LEU 89 Cb 0.10 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 1q9p h LEU 89 CO -0.13 1.39 0.27 -0.07 -1.08 0.00 0.00 178.44 178.81 1q9p h LEU 90 N 0.42 0.90 -1.08 1.67 3.38 -1.28 -2.28 115.31 117.03 1q9p h LEU 90 Ca -0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1q9p h LEU 90 Cb 1.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1q9p h LEU 90 CO 0.16 0.81 0.30 0.74 0.09 0.00 0.00 178.44 180.53 1q9p h THR 91 N 0.97 1.22 -3.57 0.22 2.02 0.79 -3.40 112.91 111.16 1q9p h THR 91 Ca 0.23 -0.64 -0.61 0.00 0.77 0.00 0.00 66.41 66.15 1q9p h THR 91 Cb 0.19 0.39 -0.13 0.00 -1.74 0.00 0.00 68.15 66.86 1q9p h THR 91 CO -0.02 0.26 -0.18 -1.58 0.37 0.00 0.00 175.52 174.37 1q9p s GLN 92 N -5.51 4.11 0.00 6.66 0.74 -0.86 -4.69 119.66 120.12 1q9p s GLN 92 Ca -0.11 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.48 1q9p s GLN 92 Cb 0.16 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.68 1q9p s GLN 92 CO 0.80 -0.16 0.00 1.51 -0.55 0.00 0.00 175.29 176.89 1q9p n ILE 93 N 4.69 0.00 -0.03 -2.34 3.06 -1.26 -4.83 119.36 118.65 1q9p n ILE 93 Ca -0.08 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.13 1q9p n ILE 93 Cb 0.51 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.66 1q9p n ILE 93 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1q9p n GLY 94 N 0.00 -0.08 3.18 4.50 0.00 -1.26 -5.01 105.19 106.51 1q9p n GLY 94 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32