#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 0.67 -0.01 -0.52 4.15 -2.03 0.25 115.11 117.63 1q9p h GLN 2 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1q9p h GLN 2 Cb 0.00 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 1q9p h GLN 2 CO 0.00 0.45 0.02 0.97 -1.93 0.00 0.00 178.83 178.34 1q9p h ILE 3 N 0.69 0.38 -3.26 2.39 2.10 -2.08 -3.40 117.51 114.33 1q9p h ILE 3 Ca 0.38 0.00 -0.64 0.00 1.08 0.00 0.00 64.86 65.68 1q9p h ILE 3 Cb 0.53 0.98 -0.17 0.00 -1.09 0.00 0.00 36.82 37.07 1q9p h ILE 3 CO -0.15 0.00 -0.60 -0.89 -1.08 0.00 0.00 178.15 175.43 1q9p s THR 4 N -4.50 4.49 -0.79 2.19 2.01 0.89 -4.98 115.64 114.95 1q9p s THR 4 Ca -0.05 -0.15 0.22 0.00 0.31 0.00 0.00 61.69 62.02 1q9p s THR 4 Cb 0.14 -2.97 -0.19 0.00 0.01 0.00 0.00 72.50 69.49 1q9p s THR 4 CO 0.51 0.51 0.94 0.00 -0.69 0.00 0.00 174.62 175.89 1q9p n LEU 5 N 3.11 0.72 0.07 4.42 -0.00 -1.26 -4.21 117.00 119.85 1q9p n LEU 5 Ca -0.17 -0.27 0.09 0.00 -0.00 0.00 0.00 56.01 55.66 1q9p n LEU 5 Cb 0.53 -0.05 0.55 0.00 -0.00 0.00 0.00 43.42 44.44 1q9p n LEU 5 CO 0.33 0.16 1.14 -0.50 -0.00 0.00 0.00 177.39 178.52 1q9p h TRP 6 N 0.00 0.26 0.00 1.47 6.55 -1.93 -3.45 115.95 118.84 1q9p h TRP 6 Ca 0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1q9p h TRP 6 Cb 0.61 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.83 1q9p h TRP 6 CO 0.00 0.14 0.00 1.17 -1.05 0.00 0.00 178.44 178.70 1q9p n LYS 7 N -4.48 0.00 -2.52 0.49 4.81 -1.26 -4.64 118.16 110.55 1q9p n LYS 7 Ca 0.04 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.07 1q9p n LYS 7 Cb 0.22 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.23 1q9p n LYS 7 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1q9p s ARG 8 N 0.00 4.62 0.54 1.64 1.70 -1.26 -4.93 118.95 121.26 1q9p s ARG 8 Ca 0.00 1.72 0.33 0.00 -0.47 0.00 0.00 55.73 57.30 1q9p s ARG 8 Cb 0.00 -3.26 1.38 0.00 -0.57 0.00 0.00 34.95 32.50 1q9p s ARG 8 CO 0.00 0.14 2.00 -1.00 -1.08 0.00 0.00 175.30 175.35 1q9p h PRO 9 N 4.76 0.00 -6.29 3.89 0.13 -2.03 -3.43 132.00 129.03 1q9p h PRO 9 Ca -0.45 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.12 1q9p h PRO 9 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1q9p h PRO 9 CO 0.71 0.05 -0.09 -0.51 -0.23 0.00 0.00 178.00 177.93 1q9p s LEU 10 N -6.35 4.37 -0.08 1.56 1.43 -1.26 -5.08 118.68 113.26 1q9p s LEU 10 Ca 0.00 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1q9p s LEU 10 Cb 0.10 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 1q9p s LEU 10 CO 0.55 0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 176.45 1q9p s VAL 11 N -1.40 3.20 0.16 -1.59 1.01 -1.26 -5.11 120.40 115.41 1q9p s VAL 11 Ca 0.36 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1q9p s VAL 11 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1q9p s VAL 11 CO 0.19 0.57 -0.20 0.42 0.00 0.00 0.00 175.10 176.08 1q9p s THR 12 N -0.37 1.93 0.24 3.92 -4.23 -1.26 -4.24 115.64 111.63 1q9p s THR 12 Ca 0.04 -1.90 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1q9p s THR 12 Cb -0.12 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 1q9p s THR 12 CO 0.02 -0.24 -0.04 0.27 -0.54 0.00 0.00 174.62 174.10 1q9p s ILE 13 N -1.84 1.28 -0.13 2.99 -4.36 -0.94 -4.43 121.20 113.78 1q9p s ILE 13 Ca 0.16 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.48 1q9p s ILE 13 Cb -0.07 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.36 1q9p s ILE 13 CO 0.07 -0.38 -0.13 -0.54 0.24 0.00 0.00 174.94 174.20 1q9p s LYS 14 N -3.79 2.10 -0.22 0.37 1.02 -1.03 -2.53 119.74 115.65 1q9p s LYS 14 Ca 0.27 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1q9p s LYS 14 Cb 0.04 -1.91 0.06 0.00 -0.52 0.00 0.00 37.83 35.50 1q9p s LYS 14 CO 0.09 -0.18 -0.06 0.42 -0.92 0.00 0.00 175.35 174.69 1q9p s ILE 15 N 1.35 1.50 0.00 2.17 1.01 -1.00 -2.32 121.20 123.91 1q9p s ILE 15 Ca 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1q9p s ILE 15 Cb -0.13 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.61 1q9p s ILE 15 CO -0.07 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1q9p n GLY 16 N 4.70 0.49 0.30 6.18 0.00 -1.26 -2.41 105.19 113.19 1q9p n GLY 16 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.12 0.92 3.79 -0.02 0.00 -1.26 -5.08 105.19 101.42 1q9p n GLY 17 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.77 2.94 -0.39 1.61 -0.21 -1.01 -5.08 119.66 116.74 1q9p s GLN 18 Ca 0.00 -0.67 -0.20 0.00 0.02 0.00 0.00 55.36 54.50 1q9p s GLN 18 Cb 0.00 -2.75 0.01 0.00 1.00 0.00 0.00 33.01 31.27 1q9p s GLN 18 CO 0.00 0.57 0.63 -0.51 -2.12 0.00 0.00 175.29 173.86 1q9p s LEU 19 N -2.44 4.36 0.13 2.90 2.01 -1.26 -2.39 118.68 121.99 1q9p s LEU 19 Ca 0.30 -0.07 0.05 0.00 0.01 0.00 0.00 54.13 54.42 1q9p s LEU 19 Cb -0.12 -2.75 -0.04 0.00 0.01 0.00 0.00 46.19 43.29 1q9p s LEU 19 CO 0.23 -0.67 -0.12 -0.54 1.01 0.00 0.00 176.35 176.26 1q9p s LYS 20 N 2.74 1.03 0.04 1.70 1.02 -1.05 -5.05 119.74 120.18 1q9p s LYS 20 Ca 0.23 -1.31 0.03 0.00 0.02 0.00 0.00 55.97 54.94 1q9p s LYS 20 Cb -0.14 -0.78 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 1q9p s LYS 20 CO 0.17 0.13 0.01 -1.21 -0.92 0.00 0.00 175.35 173.53 1q9p s GLU 21 N -3.07 2.72 0.01 1.68 8.01 -1.26 -2.20 118.70 124.59 1q9p s GLU 21 Ca 0.12 -0.69 -0.07 0.00 0.01 0.00 0.00 54.97 54.33 1q9p s GLU 21 Cb -0.02 -2.64 -0.00 0.00 -4.31 0.00 0.00 34.13 27.16 1q9p s GLU 21 CO 0.02 0.59 0.14 0.00 0.01 0.00 0.00 175.26 176.02 1q9p s ALA 22 N -1.20 -0.30 0.25 5.21 0.00 -1.26 -3.78 121.76 120.69 1q9p s ALA 22 Ca 0.23 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1q9p s ALA 22 Cb -0.12 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1q9p s ALA 22 CO 0.14 -0.24 0.17 -0.51 0.00 0.00 0.00 175.76 175.33 1q9p s LEU 23 N -1.57 3.74 0.90 0.00 1.43 0.29 -4.82 118.68 118.65 1q9p s LEU 23 Ca -0.12 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 1q9p s LEU 23 Cb -0.06 -2.27 0.14 0.00 0.03 0.00 0.00 46.19 44.03 1q9p s LEU 23 CO 0.00 -0.03 1.21 -0.76 0.23 0.00 0.00 176.35 176.99 1q9p s LEU 24 N -3.82 2.35 0.00 1.79 1.02 -1.26 0.18 118.68 118.94 1q9p s LEU 24 Ca 0.33 0.68 0.00 0.00 0.02 0.00 0.00 54.13 55.15 1q9p s LEU 24 Cb -0.08 -2.96 0.00 0.00 0.02 0.00 0.00 46.19 43.17 1q9p s LEU 24 CO 0.24 -2.40 0.15 -0.90 0.02 0.00 0.00 176.35 173.46 1q9p n ASP 25 N -3.62 0.00 -3.13 2.29 5.75 0.60 -4.19 116.55 114.25 1q9p n ASP 25 Ca 0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.74 1q9p n ASP 25 Cb 0.60 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.67 1q9p n ASP 25 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1q9p n THR 26 N -0.59 1.15 0.00 2.12 -1.04 -1.26 -1.03 114.28 113.63 1q9p n THR 26 Ca 0.00 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1q9p n THR 26 Cb 0.00 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1q9p n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q9p n GLY 27 N 3.97 -0.42 0.00 3.41 0.00 -1.26 -5.14 105.19 105.76 1q9p n GLY 27 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1q9p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9p n ALA 28 N 0.00 0.00 0.19 4.61 0.00 -0.20 -5.02 120.51 120.10 1q9p n ALA 28 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1q9p n ALA 28 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 1q9p n ALA 28 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1q9p h ASP 29 N 0.00 0.00 -3.71 0.00 3.04 -1.94 -3.41 116.42 110.40 1q9p h ASP 29 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1q9p h ASP 29 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 1q9p h ASP 29 CO 0.00 0.35 0.00 0.47 -2.04 0.00 0.00 179.24 178.02 1q9p n ASP 30 N -3.97 0.00 -4.07 4.15 8.00 -1.26 -3.27 116.55 116.13 1q9p n ASP 30 Ca -0.02 -0.99 -0.19 0.00 0.71 0.00 0.00 54.79 54.31 1q9p n ASP 30 Cb 0.41 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.36 1q9p n ASP 30 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1q9p s THR 31 N 0.76 0.88 -0.02 -3.53 -1.32 -1.26 -2.85 115.64 108.30 1q9p s THR 31 Ca 0.00 -0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 59.80 1q9p s THR 31 Cb 0.00 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1q9p s THR 31 CO 0.00 0.14 0.12 0.68 -2.21 0.00 0.00 174.62 173.34 1q9p s VAL 32 N -0.47 0.05 -0.09 5.08 -7.23 -0.99 -4.25 120.40 112.50 1q9p s VAL 32 Ca 0.02 -0.45 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 1q9p s VAL 32 Cb -0.05 -0.32 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 1q9p s VAL 32 CO 0.00 -0.25 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.73 1q9p s ILE 33 N -0.83 2.63 0.57 -0.62 -1.09 -0.60 -1.98 121.20 119.27 1q9p s ILE 33 Ca -0.09 -0.84 -0.20 0.00 -2.23 0.00 0.00 60.65 57.29 1q9p s ILE 33 Cb -0.05 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 1q9p s ILE 33 CO 0.01 0.56 1.05 1.21 -1.23 0.00 0.00 174.94 176.53 1q9p n GLU 34 N 3.13 1.10 -2.60 2.79 2.13 -0.73 0.61 120.64 127.07 1q9p n GLU 34 Ca -0.18 0.42 -0.41 0.00 0.66 0.00 0.00 57.16 57.64 1q9p n GLU 34 Cb 0.52 -2.23 -0.04 0.00 0.27 0.00 0.00 31.44 29.97 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 -2.69 4.59 0.00 5.31 2.56 0.33 -4.61 118.70 124.19 1q9p s GLU 35 Ca 0.73 1.59 0.00 0.00 0.00 0.00 0.00 54.97 57.29 1q9p s GLU 35 Cb -0.43 -3.35 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1q9p s GLU 35 CO 0.49 0.04 0.00 -1.33 -0.56 0.00 0.00 175.26 173.89 1q9p n MET 36 N 3.05 0.00 -3.47 4.30 2.81 -1.26 -4.93 117.12 117.62 1q9p n MET 36 Ca 0.04 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 55.94 1q9p n MET 36 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.95 1q9p n MET 36 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1q9p s SER 37 N -0.08 -0.83 -0.47 7.83 0.15 -1.26 -5.11 113.70 113.94 1q9p s SER 37 Ca 0.00 1.07 0.04 0.00 0.70 0.00 0.00 55.95 57.75 1q9p s SER 37 Cb 0.00 1.92 0.16 0.00 -1.71 0.00 0.00 66.02 66.39 1q9p s SER 37 CO 0.00 -0.16 0.35 -0.76 1.20 0.00 0.00 173.24 173.87 1q9p s LEU 38 N 2.66 2.14 0.69 3.45 1.02 -1.26 -5.13 118.68 122.26 1q9p s LEU 38 Ca -0.02 -3.11 -0.17 0.00 0.02 0.00 0.00 54.13 50.85 1q9p s LEU 38 Cb -0.09 -0.72 -0.04 0.00 0.02 0.00 0.00 46.19 45.37 1q9p s LEU 38 CO -0.18 -0.17 0.67 -2.65 0.02 0.00 0.00 176.35 174.03 1q9p n PRO 39 N 2.84 0.43 0.00 1.29 -0.02 -1.26 -4.73 135.00 133.55 1q9p n PRO 39 Ca 0.24 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1q9p n PRO 39 Cb 0.43 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.51 0.20 3.76 -1.23 0.00 -1.26 -5.02 105.19 103.15 1q9p n GLY 40 Ca 0.11 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 3.00 0.17 1.61 3.52 -1.26 -5.12 118.95 120.87 1q9p s ARG 41 Ca 0.00 -0.52 0.11 0.00 -0.13 0.00 0.00 55.73 55.19 1q9p s ARG 41 Cb 0.00 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.53 1q9p s ARG 41 CO 0.00 0.64 -0.23 1.67 -0.81 0.00 0.00 175.30 176.57 1q9p s TRP 42 N -1.19 2.17 -0.41 5.12 1.48 -1.26 -4.83 118.94 120.03 1q9p s TRP 42 Ca 0.23 -0.39 0.03 0.00 -1.06 0.00 0.00 56.10 54.90 1q9p s TRP 42 Cb -0.12 -1.10 0.12 0.00 -1.16 0.00 0.00 33.47 31.21 1q9p s TRP 42 CO 0.14 0.42 0.16 0.15 -4.06 0.00 0.00 176.95 173.76 1q9p s LYS 43 N -2.54 1.40 0.08 3.25 1.02 -0.93 -4.98 119.74 117.03 1q9p s LYS 43 Ca 0.18 -1.94 -0.37 0.00 0.02 0.00 0.00 55.97 53.85 1q9p s LYS 43 Cb -0.08 -2.76 -0.17 0.00 -0.52 0.00 0.00 37.83 34.30 1q9p s LYS 43 CO 0.08 -1.05 1.31 -2.30 -0.92 0.00 0.00 175.35 172.47 1q9p n PRO 44 N 3.89 1.03 -3.81 -1.68 -0.02 -1.26 -1.86 135.00 131.29 1q9p n PRO 44 Ca 0.04 0.37 -0.12 0.00 -2.02 0.00 0.00 63.50 61.77 1q9p n PRO 44 Cb 0.37 -2.00 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.44 0.59 -0.02 -0.52 2.20 -0.57 -4.87 119.74 116.99 1q9p s LYS 45 Ca 0.85 -0.27 0.05 0.00 -0.36 0.00 0.00 55.97 56.24 1q9p s LYS 45 Cb -0.99 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 35.58 1q9p s LYS 45 CO 0.48 -0.15 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.51 1q9p s MET 46 N -1.34 1.41 0.28 4.03 -1.94 -1.26 -0.87 119.30 119.61 1q9p s MET 46 Ca -0.14 -0.60 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 1q9p s MET 46 Cb -0.06 -1.34 -0.03 0.00 2.01 0.00 0.00 34.83 35.40 1q9p s MET 46 CO 0.03 0.34 0.21 0.96 -0.01 0.00 0.00 175.02 176.55 1q9p s ILE 47 N -0.33 0.05 0.00 2.53 -5.25 -0.99 -4.63 121.20 112.58 1q9p s ILE 47 Ca 0.05 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.71 1q9p s ILE 47 Cb -0.07 -2.50 0.00 0.00 2.95 0.00 0.00 42.46 42.84 1q9p s ILE 47 CO -0.00 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 1q9p n GLY 48 N -0.50 1.40 2.25 6.27 0.00 -1.26 0.51 105.19 113.86 1q9p n GLY 48 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.93 0.29 0.29 -0.02 0.00 -1.26 -4.53 105.19 99.03 1q9p n GLY 49 Ca 0.00 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 1.56 0.94 -0.00 -0.61 2.10 -1.98 -1.74 117.51 117.78 1q9p h ILE 50 Ca -0.11 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1q9p h ILE 50 Cb 0.66 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1q9p h ILE 50 CO 0.17 0.00 -0.37 0.61 -1.08 0.00 0.00 178.15 177.48 1q9p n GLY 51 N -1.56 -0.02 0.12 8.18 0.00 -1.26 -5.10 105.19 105.55 1q9p n GLY 51 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.10 -3.41 0.80 -0.02 0.00 -0.65 -4.80 105.19 98.21 1q9p n GLY 52 Ca 0.03 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.48 0.48 -3.72 1.61 3.72 0.18 -4.77 117.46 114.47 1q9p n PHE 53 Ca 0.00 -0.38 -0.14 0.00 -0.05 0.00 0.00 57.45 56.88 1q9p n PHE 53 Cb 0.00 -0.01 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 1q9p n PHE 53 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1q9p s ILE 54 N -1.06 0.04 -0.29 4.37 2.07 -0.85 -5.02 121.20 120.46 1q9p s ILE 54 Ca 0.28 -0.29 -0.09 0.00 -1.41 0.00 0.00 60.65 59.14 1q9p s ILE 54 Cb 0.15 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 42.07 1q9p s ILE 54 CO 0.21 -0.16 0.13 -0.75 -1.91 0.00 0.00 174.94 172.46 1q9p s LYS 55 N -0.92 3.50 0.23 3.50 2.20 -1.26 -2.35 119.74 124.64 1q9p s LYS 55 Ca -0.10 -0.60 0.06 0.00 -0.36 0.00 0.00 55.97 54.96 1q9p s LYS 55 Cb -0.04 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1q9p s LYS 55 CO 0.04 -0.32 -0.06 0.14 -0.36 0.00 0.00 175.35 174.79 1q9p s VAL 56 N 1.63 1.40 -0.12 4.02 -7.23 -0.05 -4.81 120.40 115.24 1q9p s VAL 56 Ca 0.05 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1q9p s VAL 56 Cb -0.16 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1q9p s VAL 56 CO 0.06 -0.42 0.05 -0.13 -0.31 0.00 0.00 175.10 174.36 1q9p s ARG 57 N -3.76 3.41 -0.22 4.82 0.52 0.85 -1.51 118.95 123.05 1q9p s ARG 57 Ca 0.26 -0.32 -0.07 0.00 -0.52 0.00 0.00 55.73 55.08 1q9p s ARG 57 Cb 0.03 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1q9p s ARG 57 CO 0.09 0.58 0.07 -1.14 0.02 0.00 0.00 175.30 174.91 1q9p s GLN 58 N -0.52 3.76 -0.16 3.54 0.74 -0.78 0.61 119.66 126.85 1q9p s GLN 58 Ca 0.10 -0.44 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 1q9p s GLN 58 Cb -0.12 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.70 1q9p s GLN 58 CO 0.02 -0.03 -0.10 0.71 -0.55 0.00 0.00 175.29 175.34 1q9p s TYR 59 N 1.19 2.88 0.33 1.67 1.51 -1.10 -2.20 117.35 121.62 1q9p s TYR 59 Ca 0.04 -0.73 0.03 0.00 -1.01 0.00 0.00 57.07 55.41 1q9p s TYR 59 Cb -0.14 -1.93 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 1q9p s TYR 59 CO 0.03 -0.31 0.07 -0.51 -1.11 0.00 0.00 175.55 173.72 1q9p s ASP 60 N 0.71 2.35 -1.16 2.29 1.01 -1.26 -1.58 116.67 119.03 1q9p s ASP 60 Ca -0.05 -1.43 0.00 0.00 0.71 0.00 0.00 52.55 51.79 1q9p s ASP 60 Cb -0.15 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.81 1q9p s ASP 60 CO 0.02 -0.67 0.00 1.67 0.21 0.00 0.00 175.17 176.40 1q9p n GLN 61 N -0.71 -1.07 -4.41 8.23 7.27 -1.26 -5.01 117.38 120.42 1q9p n GLN 61 Ca -0.03 0.66 -0.21 0.00 0.07 0.00 0.00 57.00 57.49 1q9p n GLN 61 Cb 0.66 -4.90 -0.10 0.00 2.41 0.00 0.00 30.24 28.31 1q9p n GLN 61 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1q9p s ILE 62 N -2.67 1.91 -0.04 1.69 -4.36 -1.26 -5.03 121.20 111.45 1q9p s ILE 62 Ca 0.00 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.18 1q9p s ILE 62 Cb 0.00 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 1q9p s ILE 62 CO 0.00 -0.43 -0.07 0.27 0.24 0.00 0.00 174.94 174.94 1q9p s ILE 63 N -2.86 3.64 -0.03 8.37 -0.00 -1.26 -2.71 121.20 126.34 1q9p s ILE 63 Ca 0.27 -0.63 0.05 0.00 -0.00 0.00 0.00 60.65 60.34 1q9p s ILE 63 Cb -0.00 -2.52 -0.01 0.00 -0.00 0.00 0.00 42.46 39.93 1q9p s ILE 63 CO 0.11 0.51 -0.18 -0.51 -0.00 0.00 0.00 174.94 174.86 1q9p s ILE 64 N -0.89 1.49 -0.38 8.37 2.07 0.31 -4.67 121.20 127.50 1q9p s ILE 64 Ca 0.14 -0.77 -0.16 0.00 -1.41 0.00 0.00 60.65 58.45 1q9p s ILE 64 Cb -0.11 -1.27 0.00 0.00 0.13 0.00 0.00 42.46 41.22 1q9p s ILE 64 CO 0.04 0.43 0.38 -1.61 -1.91 0.00 0.00 174.94 172.26 1q9p s GLU 65 N -0.15 3.32 0.00 3.50 0.41 -0.98 -0.39 118.70 124.40 1q9p s GLU 65 Ca 0.00 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.94 1q9p s GLU 65 Cb -0.10 -3.89 0.00 0.00 -1.78 0.00 0.00 34.13 28.36 1q9p s GLU 65 CO 0.01 -0.67 0.00 -0.89 -0.49 0.00 0.00 175.26 173.22 1q9p n ILE 66 N 5.30 0.00 -0.72 -1.63 5.41 0.52 -2.47 119.36 125.77 1q9p n ILE 66 Ca -0.09 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.32 1q9p n ILE 66 Cb 0.48 -1.17 -0.10 0.00 -0.71 0.00 0.00 39.64 38.14 1q9p n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q9p n ALA 67 N -3.00 0.63 -1.55 -1.39 0.00 -1.26 -2.56 120.51 111.38 1q9p n ALA 67 Ca 0.00 -2.33 -0.07 0.00 0.00 0.00 0.00 53.44 51.04 1q9p n ALA 67 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 19.45 16.25 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 4.97 0.59 3.03 0.00 0.00 -1.26 -5.03 105.19 107.49 1q9p n GLY 68 Ca 0.40 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.29 0.70 0.30 1.61 5.65 -1.06 -5.15 115.29 115.06 1q9p s HIS 69 Ca 0.00 -0.26 -0.14 0.00 0.25 0.00 0.00 55.06 54.92 1q9p s HIS 69 Cb 0.00 -0.43 -0.09 0.00 -1.18 0.00 0.00 32.58 30.88 1q9p s HIS 69 CO 0.00 -0.02 0.70 0.15 -0.65 0.00 0.00 174.74 174.91 1q9p s LYS 70 N -0.70 3.95 -0.20 2.88 1.02 -1.26 0.20 119.74 125.62 1q9p s LYS 70 Ca -0.01 0.58 -0.18 0.00 0.02 0.00 0.00 55.97 56.37 1q9p s LYS 70 Cb -0.05 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1q9p s LYS 70 CO 0.00 0.19 0.53 0.00 -0.92 0.00 0.00 175.35 175.15 1q9p s ALA 71 N -1.96 -1.31 -0.10 5.17 0.00 0.47 -4.74 121.76 119.30 1q9p s ALA 71 Ca 0.53 1.50 0.03 0.00 0.00 0.00 0.00 51.96 54.01 1q9p s ALA 71 Cb -0.10 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.15 1q9p s ALA 71 CO 0.18 -0.25 -0.19 0.42 0.00 0.00 0.00 175.76 175.92 1q9p s ILE 72 N 0.29 1.71 -1.98 0.00 1.01 -1.26 0.11 121.20 121.08 1q9p s ILE 72 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1q9p s ILE 72 Cb -0.04 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1q9p s ILE 72 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1q9p n GLY 73 N 3.82 -1.48 3.75 6.18 0.00 -1.10 -5.03 105.19 111.33 1q9p n GLY 73 Ca -0.20 -1.03 -0.41 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 -2.66 3.83 -0.23 2.61 2.01 -1.26 -4.26 115.64 115.69 1q9p s THR 74 Ca 0.00 1.69 -0.04 0.00 0.31 0.00 0.00 61.69 63.66 1q9p s THR 74 Cb 0.00 -4.08 0.09 0.00 0.01 0.00 0.00 72.50 68.52 1q9p s THR 74 CO 0.00 0.34 0.18 0.54 -0.69 0.00 0.00 174.62 174.99 1q9p s VAL 75 N -0.66 -0.22 0.03 3.82 0.11 -0.61 -5.04 120.40 117.83 1q9p s VAL 75 Ca 0.46 -0.32 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 1q9p s VAL 75 Cb -0.29 -0.76 -0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1q9p s VAL 75 CO 0.36 -0.38 1.31 -0.76 -3.33 0.00 0.00 175.10 172.30 1q9p s LEU 76 N 2.24 4.34 -0.15 2.54 1.02 -1.26 -2.73 118.68 124.68 1q9p s LEU 76 Ca 0.06 2.09 -0.03 0.00 0.02 0.00 0.00 54.13 56.27 1q9p s LEU 76 Cb -0.16 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.46 1q9p s LEU 76 CO -0.20 -0.62 -0.04 -0.69 0.02 0.00 0.00 176.35 174.82 1q9p s VAL 77 N 1.72 3.85 0.27 -1.59 1.01 0.20 -1.56 120.40 124.30 1q9p s VAL 77 Ca 0.61 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 1q9p s VAL 77 Cb -0.31 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1q9p s VAL 77 CO 0.27 0.50 0.39 -0.83 0.00 0.00 0.00 175.10 175.44 1q9p s GLY 78 N 0.26 1.11 0.63 4.51 0.00 0.20 -0.11 107.32 113.92 1q9p s GLY 78 Ca -0.03 -1.31 0.41 0.00 0.00 0.00 0.00 44.72 43.78 1q9p s GLY 78 CO 0.03 -0.95 2.25 -0.56 0.00 0.00 0.00 173.10 173.87 1q9p h PRO 79 N 2.29 0.00 -6.00 2.90 0.13 -1.88 0.96 132.00 130.40 1q9p h PRO 79 Ca -0.29 0.00 -0.84 0.00 -0.87 0.00 0.00 66.00 63.99 1q9p h PRO 79 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1q9p h PRO 79 CO 0.41 0.00 0.88 -2.37 -0.23 0.00 0.00 178.00 176.70 1q9p n THR 80 N -3.12 0.00 -1.12 1.56 5.66 -1.26 -4.26 114.28 111.74 1q9p n THR 80 Ca -0.02 -0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.62 1q9p n THR 80 Cb 0.14 -0.51 0.06 0.00 -1.55 0.00 0.00 70.33 68.47 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 5.08 0.08 0.00 1.09 -0.02 -1.26 -3.11 135.00 136.86 1q9p n PRO 81 Ca 0.38 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1q9p n PRO 81 Cb -0.05 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.52 0.00 -4.05 -1.45 0.31 -1.26 -4.65 118.33 104.71 1q9p n VAL 82 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 1q9p n VAL 82 Cb 0.51 0.00 -0.12 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 0.61 0.00 4.52 0.01 -1.25 -1.77 114.94 113.06 1q9p s ASN 83 Ca 0.00 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 1q9p s ASN 83 Cb 0.00 0.02 -0.01 0.00 0.41 0.00 0.00 41.25 41.67 1q9p s ASN 83 CO 0.00 -0.15 -0.12 -0.51 -1.51 0.00 0.00 177.10 174.81 1q9p s ILE 84 N -1.02 0.97 -0.15 0.60 2.07 -0.84 0.10 121.20 122.93 1q9p s ILE 84 Ca -0.08 -0.62 -0.04 0.00 -1.41 0.00 0.00 60.65 58.50 1q9p s ILE 84 Cb -0.07 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1q9p s ILE 84 CO -0.00 0.20 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.58 1q9p s ILE 85 N -0.42 4.04 0.70 2.00 1.01 0.48 -2.35 121.20 126.66 1q9p s ILE 85 Ca 0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 1q9p s ILE 85 Cb -0.05 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1q9p s ILE 85 CO -0.00 0.50 1.00 -0.83 0.00 0.00 0.00 174.94 175.61 1q9p s GLY 86 N 0.24 1.70 0.58 6.18 0.00 -1.13 0.22 107.32 115.10 1q9p s GLY 86 Ca -0.02 -0.96 0.34 0.00 0.00 0.00 0.00 44.72 44.09 1q9p s GLY 86 CO 0.02 -0.56 2.18 3.21 0.00 0.00 0.00 173.10 177.96 1q9p h ARG 87 N -0.56 0.00 -0.36 2.90 3.08 -1.82 -2.73 114.38 114.89 1q9p h ARG 87 Ca -0.44 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.64 1q9p h ARG 87 Cb 1.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.33 1q9p h ARG 87 CO 0.60 0.05 0.16 -0.97 -1.07 0.00 0.00 179.97 178.74 1q9p h ASN 88 N 0.00 0.23 -0.01 7.04 -1.24 -1.93 0.51 115.58 120.18 1q9p h ASN 88 Ca -0.00 0.02 -0.22 0.00 0.71 0.00 0.00 56.30 56.81 1q9p h ASN 88 Cb 0.20 -0.02 0.02 0.00 0.73 0.00 0.00 38.32 39.25 1q9p h ASN 88 CO 0.01 0.17 -0.86 -0.07 -1.29 0.00 0.00 177.43 175.39 1q9p h LEU 89 N 0.34 0.77 -1.00 0.34 3.38 -1.80 -3.11 115.31 114.24 1q9p h LEU 89 Ca 0.15 -0.74 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1q9p h LEU 89 Cb 0.08 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1q9p h LEU 89 CO -0.12 1.41 0.40 -0.07 0.09 0.00 0.00 178.44 180.15 1q9p h LEU 90 N 0.21 1.00 -1.02 1.67 3.38 -1.31 -2.37 115.31 116.88 1q9p h LEU 90 Ca -0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1q9p h LEU 90 Cb 1.53 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1q9p h LEU 90 CO 0.17 0.83 0.48 0.74 0.09 0.00 0.00 178.44 180.74 1q9p h THR 91 N 1.11 1.24 -3.53 0.22 2.02 -0.02 -3.40 112.91 110.55 1q9p h THR 91 Ca 0.28 -0.58 -0.62 0.00 0.77 0.00 0.00 66.41 66.26 1q9p h THR 91 Cb 0.07 0.09 -0.14 0.00 -1.74 0.00 0.00 68.15 66.42 1q9p h THR 91 CO -0.04 0.27 -0.51 -1.58 0.37 0.00 0.00 175.52 174.03 1q9p s GLN 92 N -5.80 4.07 -0.47 6.66 0.74 -0.89 -4.94 119.66 119.03 1q9p s GLN 92 Ca -0.12 -0.27 0.06 0.00 0.05 0.00 0.00 55.36 55.08 1q9p s GLN 92 Cb 0.17 -3.51 0.28 0.00 1.10 0.00 0.00 33.01 31.06 1q9p s GLN 92 CO 0.81 0.10 1.00 1.51 -0.55 0.00 0.00 175.29 178.15 1q9p n ILE 93 N 4.17 -0.02 -0.99 -2.34 3.06 -1.26 -4.79 119.36 117.18 1q9p n ILE 93 Ca -0.15 -1.64 0.00 0.00 -2.50 0.00 0.00 62.75 58.46 1q9p n ILE 93 Cb 0.52 1.38 0.00 0.00 0.54 0.00 0.00 39.64 42.08 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 0.95 0.45 3.79 4.50 0.00 -1.26 -5.09 105.19 108.53 1q9p n GLY 94 Ca 0.08 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32