#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 4.02 -0.04 0.54 -0.21 -1.26 -5.08 119.66 117.63 1q9p s GLN 2 Ca 0.00 0.65 0.06 0.00 0.02 0.00 0.00 55.36 56.09 1q9p s GLN 2 Cb 0.00 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.42 1q9p s GLN 2 CO 0.00 0.24 -0.23 -1.50 -2.12 0.00 0.00 175.29 171.68 1q9p s ILE 3 N -1.84 1.89 0.47 1.08 2.07 -1.26 -5.14 121.20 118.48 1q9p s ILE 3 Ca 0.50 -0.99 -0.03 0.00 -1.41 0.00 0.00 60.65 58.72 1q9p s ILE 3 Cb -0.12 -1.59 -0.02 0.00 0.13 0.00 0.00 42.46 40.86 1q9p s ILE 3 CO 0.19 0.53 0.74 0.42 -1.91 0.00 0.00 174.94 174.91 1q9p s THR 4 N -0.27 4.44 0.34 4.00 -4.23 -1.26 -5.10 115.64 113.56 1q9p s THR 4 Ca 0.01 -0.14 0.02 0.00 -1.18 0.00 0.00 61.69 60.40 1q9p s THR 4 Cb -0.12 -3.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 1q9p s THR 4 CO 0.02 -0.59 0.52 -1.48 -0.54 0.00 0.00 174.62 172.56 1q9p s LEU 5 N -4.67 4.03 -0.13 4.79 -0.00 -1.26 -5.10 118.68 116.34 1q9p s LEU 5 Ca 0.48 0.34 -0.03 0.00 -0.00 0.00 0.00 54.13 54.92 1q9p s LEU 5 Cb -0.10 -3.19 -0.03 0.00 -0.00 0.00 0.00 46.19 42.87 1q9p s LEU 5 CO 0.42 -0.31 -0.03 -1.66 -0.00 0.00 0.00 176.35 174.77 1q9p s TRP 6 N -2.28 3.05 -0.00 3.48 -2.14 -1.26 -5.11 118.94 114.68 1q9p s TRP 6 Ca 0.40 -0.12 0.01 0.00 2.66 0.00 0.00 56.10 59.05 1q9p s TRP 6 Cb -0.10 -1.88 -0.00 0.00 -3.10 0.00 0.00 33.47 28.39 1q9p s TRP 6 CO 0.35 0.15 -0.02 0.21 -2.66 0.00 0.00 176.95 174.97 1q9p s LYS 7 N -0.11 0.21 0.50 3.25 2.20 -1.26 -5.13 119.74 119.39 1q9p s LYS 7 Ca 0.03 -0.08 -0.22 0.00 -0.36 0.00 0.00 55.97 55.34 1q9p s LYS 7 Cb -0.13 -0.21 -0.08 0.00 -1.51 0.00 0.00 37.83 35.90 1q9p s LYS 7 CO 0.02 0.04 1.06 0.54 -0.36 0.00 0.00 175.35 176.66 1q9p n ARG 8 N 3.07 1.31 -2.06 4.03 1.74 -1.26 -4.92 116.66 118.57 1q9p n ARG 8 Ca -0.13 0.48 -0.38 0.00 -0.77 0.00 0.00 57.85 57.05 1q9p n ARG 8 Cb 0.59 -2.18 0.01 0.00 -1.02 0.00 0.00 32.46 29.85 1q9p n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1q9p s PRO 9 N -2.37 3.66 0.20 5.56 0.04 -1.26 -5.01 135.00 135.82 1q9p s PRO 9 Ca 0.68 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.59 1q9p s PRO 9 Cb -0.49 -2.49 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 1q9p s PRO 9 CO 0.53 -0.70 0.62 -0.51 0.04 0.00 0.00 177.00 176.98 1q9p s LEU 10 N -2.95 4.28 0.03 -3.56 1.43 -1.26 -5.09 118.68 111.56 1q9p s LEU 10 Ca 0.63 1.18 0.07 0.00 -1.03 0.00 0.00 54.13 54.99 1q9p s LEU 10 Cb -0.35 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.33 1q9p s LEU 10 CO 0.43 0.02 -0.20 0.54 0.23 0.00 0.00 176.35 177.37 1q9p s VAL 11 N -1.59 1.61 0.17 -1.59 0.11 -1.26 -5.15 120.40 112.70 1q9p s VAL 11 Ca 0.43 -1.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.43 1q9p s VAL 11 Cb -0.14 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 1q9p s VAL 11 CO 0.20 0.24 -0.15 0.42 -3.33 0.00 0.00 175.10 172.47 1q9p s THR 12 N -0.74 1.64 0.23 5.04 -4.23 -1.26 -4.28 115.64 112.03 1q9p s THR 12 Ca 0.07 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 1q9p s THR 12 Cb -0.09 -1.86 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 1q9p s THR 12 CO 0.01 -0.48 -0.04 0.27 -0.54 0.00 0.00 174.62 173.84 1q9p s ILE 13 N -2.54 1.24 -0.22 2.99 -4.36 -0.83 -4.51 121.20 112.98 1q9p s ILE 13 Ca 0.17 -2.07 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 1q9p s ILE 13 Cb -0.03 -2.26 0.04 0.00 1.25 0.00 0.00 42.46 41.46 1q9p s ILE 13 CO 0.05 -0.41 -0.14 -0.54 0.24 0.00 0.00 174.94 174.14 1q9p s LYS 14 N -3.80 2.48 -0.03 0.37 1.02 -1.07 -2.24 119.74 116.48 1q9p s LYS 14 Ca 0.26 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1q9p s LYS 14 Cb 0.04 -2.67 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1q9p s LYS 14 CO 0.08 -0.41 0.01 -1.50 -0.92 0.00 0.00 175.35 172.61 1q9p s ILE 15 N 1.23 0.12 0.00 2.17 -1.16 -0.58 -2.21 121.20 120.78 1q9p s ILE 15 Ca -0.02 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.23 1q9p s ILE 15 Cb -0.17 -0.22 0.00 0.00 0.61 0.00 0.00 42.46 42.68 1q9p s ILE 15 CO -0.09 0.13 0.00 0.61 -2.81 0.00 0.00 174.94 172.78 1q9p n GLY 16 N 4.11 0.39 0.11 1.50 0.00 -1.26 -1.62 105.19 108.41 1q9p n GLY 16 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.68 0.76 3.41 -0.02 0.00 -1.26 -5.08 105.19 101.33 1q9p n GLY 17 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 1.48 -0.11 1.61 -0.21 -0.64 -5.12 119.66 115.70 1q9p s GLN 18 Ca 0.00 -1.47 -0.15 0.00 0.02 0.00 0.00 55.36 53.75 1q9p s GLN 18 Cb 0.00 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 1q9p s GLN 18 CO 0.00 0.41 0.38 -0.51 -2.12 0.00 0.00 175.29 173.45 1q9p s LEU 19 N -2.49 4.31 0.13 2.90 1.02 -1.26 -1.52 118.68 121.77 1q9p s LEU 19 Ca 0.19 0.70 0.05 0.00 0.02 0.00 0.00 54.13 55.09 1q9p s LEU 19 Cb -0.09 -2.52 -0.04 0.00 0.02 0.00 0.00 46.19 43.57 1q9p s LEU 19 CO 0.09 0.12 -0.12 -0.54 0.02 0.00 0.00 176.35 175.92 1q9p s LYS 20 N 0.17 1.00 -0.11 1.70 1.02 -0.95 -4.98 119.74 117.59 1q9p s LYS 20 Ca 0.21 -1.30 -0.03 0.00 0.02 0.00 0.00 55.97 54.87 1q9p s LYS 20 Cb -0.14 -0.73 -0.03 0.00 -0.52 0.00 0.00 37.83 36.41 1q9p s LYS 20 CO 0.08 0.12 0.01 -2.00 -0.92 0.00 0.00 175.35 172.64 1q9p s GLU 21 N -3.10 3.21 0.00 1.68 2.12 -1.26 -1.97 118.70 119.38 1q9p s GLU 21 Ca 0.11 -0.39 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 1q9p s GLU 21 Cb -0.02 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.49 1q9p s GLU 21 CO 0.02 0.61 0.14 0.00 -0.54 0.00 0.00 175.26 175.49 1q9p s ALA 22 N -0.62 -0.33 -0.04 6.30 0.00 -1.26 -3.71 121.76 122.10 1q9p s ALA 22 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1q9p s ALA 22 Cb -0.12 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1q9p s ALA 22 CO 0.02 -0.22 0.10 -0.51 0.00 0.00 0.00 175.76 175.16 1q9p s LEU 23 N -1.43 4.03 -0.30 0.00 1.43 -0.98 -4.83 118.68 116.61 1q9p s LEU 23 Ca -0.14 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1q9p s LEU 23 Cb -0.07 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1q9p s LEU 23 CO 0.01 0.31 0.56 -0.76 0.23 0.00 0.00 176.35 176.70 1q9p s LEU 24 N -1.54 4.15 -0.27 1.79 2.01 -1.26 -1.20 118.68 122.35 1q9p s LEU 24 Ca 0.21 0.38 0.01 0.00 0.01 0.00 0.00 54.13 54.74 1q9p s LEU 24 Cb -0.12 -2.71 0.05 0.00 0.01 0.00 0.00 46.19 43.42 1q9p s LEU 24 CO 0.12 -0.40 -0.08 -0.62 1.01 0.00 0.00 176.35 176.38 1q9p s ASP 25 N 1.63 4.52 -1.03 2.29 2.15 -0.70 -4.97 116.67 120.55 1q9p s ASP 25 Ca 0.22 -1.29 -0.05 0.00 0.43 0.00 0.00 52.55 51.87 1q9p s ASP 25 Cb -0.15 -1.61 0.10 0.00 -0.30 0.00 0.00 42.92 40.96 1q9p s ASP 25 CO 0.11 -0.20 2.52 0.41 -0.17 0.00 0.00 175.17 177.84 1q9p n THR 26 N 4.52 4.61 0.00 1.71 -1.04 -1.26 -3.59 114.28 119.23 1q9p n THR 26 Ca -0.14 -3.88 0.00 0.00 -2.04 0.00 0.00 64.05 57.98 1q9p n THR 26 Cb 0.43 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 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 1.44 -1.82 0.00 3.41 0.00 -1.26 -4.98 105.19 101.98 1q9p n GLY 27 Ca 0.58 0.75 0.00 0.00 0.00 0.00 0.00 46.02 47.35 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 0.63 -3.25 4.61 0.00 -1.26 -5.01 120.51 116.22 1q9p n ALA 28 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1q9p n ALA 28 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1q9p n ALA 28 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1q9p n ASP 29 N -0.71 -4.96 -3.63 0.00 2.03 -1.26 -4.89 116.55 103.11 1q9p n ASP 29 Ca 0.00 -0.37 -0.11 0.00 0.52 0.00 0.00 54.79 54.83 1q9p n ASP 29 Cb 0.00 -4.04 -0.07 0.00 -0.72 0.00 0.00 41.12 36.29 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 -2.77 -0.80 -0.09 1.67 1.01 -1.26 -4.81 116.67 109.62 1q9p s ASP 30 Ca 0.38 1.42 0.03 0.00 0.71 0.00 0.00 52.55 55.09 1q9p s ASP 30 Cb -0.19 1.40 0.01 0.00 1.01 0.00 0.00 42.92 45.15 1q9p s ASP 30 CO 0.47 -0.24 -0.18 -0.89 0.21 0.00 0.00 175.17 174.54 1q9p s THR 31 N 0.88 1.60 0.01 -1.27 2.01 -1.26 -2.46 115.64 115.15 1q9p s THR 31 Ca -0.04 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1q9p s THR 31 Cb -0.05 -1.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1q9p s THR 31 CO -0.08 0.46 -0.03 0.68 -0.69 0.00 0.00 174.62 174.96 1q9p s VAL 32 N 0.55 0.23 -0.02 3.82 -7.23 -1.04 -4.12 120.40 112.59 1q9p s VAL 32 Ca -0.16 -0.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.63 1q9p s VAL 32 Cb -0.17 -0.26 -0.02 0.00 0.56 0.00 0.00 36.38 36.49 1q9p s VAL 32 CO 0.05 -0.15 -0.25 -0.63 -0.31 0.00 0.00 175.10 173.82 1q9p s ILE 33 N -0.61 1.95 0.56 -0.62 1.01 -0.99 -1.89 121.20 120.60 1q9p s ILE 33 Ca -0.05 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.35 1q9p s ILE 33 Cb -0.05 -1.62 -0.07 0.00 0.01 0.00 0.00 42.46 40.74 1q9p s ILE 33 CO -0.00 0.55 0.92 1.21 0.00 0.00 0.00 174.94 177.62 1q9p n GLU 34 N 2.53 0.96 -2.72 2.79 2.13 -0.61 -0.61 120.64 125.11 1q9p n GLU 34 Ca -0.16 0.36 -0.41 0.00 0.66 0.00 0.00 57.16 57.62 1q9p n GLU 34 Cb 0.52 -2.08 -0.05 0.00 0.27 0.00 0.00 31.44 30.09 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 -2.50 4.74 0.00 5.31 2.56 0.39 -4.62 118.70 124.59 1q9p s GLU 35 Ca 0.72 1.48 0.00 0.00 0.00 0.00 0.00 54.97 57.17 1q9p s GLU 35 Cb -0.45 -3.34 0.00 0.00 2.00 0.00 0.00 34.13 32.34 1q9p s GLU 35 CO 0.50 0.30 0.00 -1.33 -0.56 0.00 0.00 175.26 174.18 1q9p n MET 36 N 2.34 0.00 -3.15 4.30 2.81 -1.26 -4.93 117.12 117.23 1q9p n MET 36 Ca 0.01 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.96 1q9p n MET 36 Cb 0.48 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.98 1q9p n MET 36 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1q9p s SER 37 N -1.08 -0.28 -0.62 7.83 0.01 -1.26 -5.11 113.70 113.20 1q9p s SER 37 Ca 0.00 0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.43 1q9p s SER 37 Cb 0.00 1.21 0.15 0.00 0.21 0.00 0.00 66.02 67.60 1q9p s SER 37 CO 0.00 -0.05 0.40 -0.76 0.41 0.00 0.00 173.24 173.24 1q9p s LEU 38 N 2.97 4.40 0.81 2.44 1.02 -1.26 -5.11 118.68 123.95 1q9p s LEU 38 Ca 0.05 -3.49 -0.15 0.00 0.02 0.00 0.00 54.13 50.55 1q9p s LEU 38 Cb -0.07 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.56 1q9p s LEU 38 CO -0.13 -0.14 0.38 -2.65 0.02 0.00 0.00 176.35 173.82 1q9p n PRO 39 N 2.45 0.08 0.00 1.29 -0.02 -1.26 -4.68 135.00 132.86 1q9p n PRO 39 Ca 0.15 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1q9p n PRO 39 Cb 0.35 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.76 0.14 3.66 -1.23 0.00 -1.26 -5.03 105.19 103.22 1q9p n GLY 40 Ca 0.08 -1.51 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 2.45 0.11 1.61 0.52 -1.26 -5.13 118.95 117.25 1q9p s ARG 41 Ca 0.00 -0.88 0.09 0.00 -0.52 0.00 0.00 55.73 54.42 1q9p s ARG 41 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1q9p s ARG 41 CO 0.00 0.53 -0.22 1.67 0.02 0.00 0.00 175.30 177.30 1q9p s TRP 42 N -1.28 1.92 -0.24 -0.53 1.48 -1.26 -4.96 118.94 114.06 1q9p s TRP 42 Ca 0.24 -0.41 0.02 0.00 -1.06 0.00 0.00 56.10 54.89 1q9p s TRP 42 Cb -0.12 -1.05 0.06 0.00 -1.16 0.00 0.00 33.47 31.21 1q9p s TRP 42 CO 0.17 0.24 -0.09 0.21 -4.06 0.00 0.00 176.95 173.42 1q9p s LYS 43 N -1.95 1.95 0.24 3.25 2.20 -1.24 -5.00 119.74 119.20 1q9p s LYS 43 Ca 0.08 -1.12 -0.30 0.00 -0.36 0.00 0.00 55.97 54.28 1q9p s LYS 43 Cb -0.10 -2.70 -0.09 0.00 -1.51 0.00 0.00 37.83 33.43 1q9p s LYS 43 CO 0.05 -0.56 1.19 -1.25 -0.36 0.00 0.00 175.35 174.42 1q9p s PRO 44 N 1.27 4.51 0.01 4.03 0.04 -1.26 -1.71 135.00 141.89 1q9p s PRO 44 Ca -0.06 1.92 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1q9p s PRO 44 Cb -0.19 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 1q9p s PRO 44 CO -0.06 -0.02 -0.03 0.21 0.04 0.00 0.00 177.00 177.14 1q9p s LYS 45 N -0.89 0.28 -0.51 4.56 2.47 -0.75 -4.94 119.74 119.95 1q9p s LYS 45 Ca 0.50 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.60 1q9p s LYS 45 Cb -0.34 -0.14 0.13 0.00 -1.46 0.00 0.00 37.83 36.03 1q9p s LYS 45 CO 0.41 0.03 0.28 1.41 0.16 0.00 0.00 175.35 177.63 1q9p s MET 46 N -0.64 2.09 -0.16 4.03 -2.45 -1.26 -1.99 119.30 118.91 1q9p s MET 46 Ca -0.05 -2.38 -0.20 0.00 -1.25 0.00 0.00 55.69 51.81 1q9p s MET 46 Cb -0.05 -3.46 0.05 0.00 1.25 0.00 0.00 34.83 32.62 1q9p s MET 46 CO -0.00 -1.10 0.53 0.96 1.05 0.00 0.00 175.02 176.46 1q9p s ILE 47 N 0.14 0.01 0.00 10.11 -4.36 -0.60 -4.85 121.20 121.64 1q9p s ILE 47 Ca 0.15 -0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1q9p s ILE 47 Cb -0.23 -0.76 0.00 0.00 1.25 0.00 0.00 42.46 42.72 1q9p s ILE 47 CO -0.03 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1q9p n GLY 48 N 2.41 -1.38 0.00 6.27 0.00 -1.26 -2.60 105.19 108.62 1q9p n GLY 48 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.48 2.79 3.24 -0.02 0.00 -1.26 -4.92 105.19 104.54 1q9p n GLY 49 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1q9p n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q9p s ILE 50 N -1.82 2.42 -0.57 -0.61 1.01 -1.26 -4.53 121.20 115.84 1q9p s ILE 50 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1q9p s ILE 50 Cb 0.00 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.48 1q9p s ILE 50 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1q9p n GLY 51 N 3.92 0.76 0.00 6.18 0.00 -1.26 -4.74 105.19 110.05 1q9p n GLY 51 Ca -0.19 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.74 0.46 3.67 -0.02 0.00 -1.26 -4.96 105.19 101.33 1q9p n GLY 52 Ca -0.05 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1q9p n GLY 52 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1q9p n PHE 53 N 0.63 1.95 -4.67 1.61 -1.74 -1.26 -4.12 117.46 109.86 1q9p n PHE 53 Ca 0.00 0.57 -0.28 0.00 -0.56 0.00 0.00 57.45 57.18 1q9p n PHE 53 Cb 0.00 -2.36 -0.14 0.00 1.52 0.00 0.00 39.48 38.50 1q9p n PHE 53 CO 0.00 0.00 0.00 -1.50 -0.56 0.00 0.00 176.76 174.70 1q9p s ILE 54 N -1.13 1.96 -0.23 1.97 2.07 -1.07 -4.79 121.20 119.97 1q9p s ILE 54 Ca 0.58 -1.40 -0.21 0.00 -1.41 0.00 0.00 60.65 58.21 1q9p s ILE 54 Cb -0.58 -1.70 -0.02 0.00 0.13 0.00 0.00 42.46 40.29 1q9p s ILE 54 CO 0.61 0.23 0.66 -0.75 -1.91 0.00 0.00 174.94 173.77 1q9p s LYS 55 N -1.42 4.16 0.27 3.50 2.20 -1.26 -1.56 119.74 125.63 1q9p s LYS 55 Ca 0.10 0.63 0.06 0.00 -0.36 0.00 0.00 55.97 56.40 1q9p s LYS 55 Cb -0.10 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 1q9p s LYS 55 CO 0.03 -0.37 -0.04 0.14 -0.36 0.00 0.00 175.35 174.75 1q9p s VAL 56 N 2.36 1.49 -0.13 4.02 -7.23 -0.84 -4.91 120.40 115.16 1q9p s VAL 56 Ca 0.28 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.32 1q9p s VAL 56 Cb -0.16 -2.44 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1q9p s VAL 56 CO 0.09 -0.30 0.02 -0.60 -0.31 0.00 0.00 175.10 174.00 1q9p s ARG 57 N -3.76 3.40 -0.17 4.82 3.52 -0.93 -1.82 118.95 124.00 1q9p s ARG 57 Ca 0.29 -0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.47 1q9p s ARG 57 Cb 0.04 -2.95 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1q9p s ARG 57 CO 0.11 0.51 -0.05 -1.14 -0.81 0.00 0.00 175.30 173.92 1q9p s GLN 58 N -0.34 3.55 -0.17 5.12 0.74 -0.69 -1.38 119.66 126.49 1q9p s GLN 58 Ca 0.07 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1q9p s GLN 58 Cb -0.12 -2.90 -0.01 0.00 1.10 0.00 0.00 33.01 31.08 1q9p s GLN 58 CO 0.02 0.12 -0.10 0.71 -0.55 0.00 0.00 175.29 175.49 1q9p s TYR 59 N 0.66 2.87 0.35 1.67 2.02 -1.04 -3.59 117.35 120.28 1q9p s TYR 59 Ca -0.03 -0.82 0.09 0.00 -0.37 0.00 0.00 57.07 55.93 1q9p s TYR 59 Cb -0.15 -1.94 -0.06 0.00 -0.40 0.00 0.00 41.96 39.41 1q9p s TYR 59 CO 0.02 -0.37 0.01 -0.51 -1.57 0.00 0.00 175.55 173.13 1q9p s ASP 60 N 0.82 4.12 -1.10 2.29 1.01 -1.26 -0.64 116.67 121.90 1q9p s ASP 60 Ca -0.04 -1.04 -0.02 0.00 0.71 0.00 0.00 52.55 52.16 1q9p s ASP 60 Cb -0.15 -0.50 0.00 0.00 1.01 0.00 0.00 42.92 43.28 1q9p s ASP 60 CO 0.01 -0.26 0.28 1.67 0.21 0.00 0.00 175.17 177.08 1q9p n GLN 61 N -0.95 -2.62 -4.90 8.23 7.27 -1.26 -4.98 117.38 118.18 1q9p n GLN 61 Ca -0.04 0.64 -0.32 0.00 0.07 0.00 0.00 57.00 57.34 1q9p n GLN 61 Cb 0.63 -4.90 -0.13 0.00 2.41 0.00 0.00 30.24 28.25 1q9p n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1q9p s ILE 62 N -2.88 2.92 0.06 1.69 -1.09 -1.24 -4.98 121.20 115.68 1q9p s ILE 62 Ca 0.14 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.78 1q9p s ILE 62 Cb -0.06 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1q9p s ILE 62 CO 0.17 0.55 -0.05 0.27 -1.23 0.00 0.00 174.94 174.65 1q9p s ILE 63 N -0.75 3.70 0.14 2.92 -4.36 -1.26 -2.64 121.20 118.95 1q9p s ILE 63 Ca 0.12 -0.97 0.06 0.00 -0.26 0.00 0.00 60.65 59.60 1q9p s ILE 63 Cb -0.11 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 1q9p s ILE 63 CO 0.01 0.23 -0.13 0.27 0.24 0.00 0.00 174.94 175.56 1q9p s ILE 64 N -1.15 1.35 -0.15 8.37 -4.36 -0.71 -4.67 121.20 119.88 1q9p s ILE 64 Ca 0.21 -1.84 -0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1q9p s ILE 64 Cb -0.11 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 1q9p s ILE 64 CO 0.13 -0.50 -0.13 -0.70 0.24 0.00 0.00 174.94 173.98 1q9p s GLU 65 N -2.99 3.31 -0.11 0.37 2.12 -0.94 -2.31 118.70 118.16 1q9p s GLU 65 Ca 0.12 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.76 1q9p s GLU 65 Cb -0.03 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.70 1q9p s GLU 65 CO 0.03 0.07 -0.15 0.42 -0.54 0.00 0.00 175.26 175.09 1q9p s ILE 66 N 0.71 1.47 0.00 -3.70 1.01 -0.78 -2.59 121.20 117.32 1q9p s ILE 66 Ca -0.06 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1q9p s ILE 66 Cb -0.15 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1q9p s ILE 66 CO 0.02 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.39 1q9p n ALA 67 N 4.27 0.00 -1.19 9.38 0.00 -1.26 -0.99 120.51 130.72 1q9p n ALA 67 Ca -0.19 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 0.22 3.16 0.00 0.00 -1.26 -5.13 105.19 102.17 1q9p n GLY 68 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 1.65 0.01 1.61 5.65 -0.16 -5.14 115.29 118.91 1q9p s HIS 69 Ca 0.00 -0.38 -0.05 0.00 0.25 0.00 0.00 55.06 54.88 1q9p s HIS 69 Cb 0.00 -1.08 -0.04 0.00 -1.18 0.00 0.00 32.58 30.27 1q9p s HIS 69 CO 0.00 -0.08 0.24 0.15 -0.65 0.00 0.00 174.74 174.40 1q9p s LYS 70 N -0.24 3.52 -0.00 2.88 1.02 -1.26 -1.87 119.74 123.80 1q9p s LYS 70 Ca 0.03 -0.18 -0.10 0.00 0.02 0.00 0.00 55.97 55.74 1q9p s LYS 70 Cb -0.09 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 1q9p s LYS 70 CO 0.00 0.65 0.19 0.00 -0.92 0.00 0.00 175.35 175.27 1q9p s ALA 71 N -1.33 -0.47 -0.06 5.17 0.00 -0.98 -5.00 121.76 119.10 1q9p s ALA 71 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1q9p s ALA 71 Cb -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1q9p s ALA 71 CO 0.17 -0.22 -0.23 -1.50 0.00 0.00 0.00 175.76 173.98 1q9p s ILE 72 N -1.37 1.88 -0.03 0.00 2.07 -1.26 -1.73 121.20 120.75 1q9p s ILE 72 Ca -0.14 -0.95 -0.21 0.00 -1.41 0.00 0.00 60.65 57.94 1q9p s ILE 72 Cb -0.07 -1.60 0.07 0.00 0.13 0.00 0.00 42.46 40.99 1q9p s ILE 72 CO 0.02 0.52 0.92 0.61 -1.91 0.00 0.00 174.94 175.11 1q9p n GLY 73 N 3.14 0.29 3.73 1.50 0.00 -1.08 -5.02 105.19 107.74 1q9p n GLY 73 Ca -0.18 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.04 3.60 -0.34 2.61 2.01 -1.26 -3.70 115.64 116.51 1q9p s THR 74 Ca 0.22 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1q9p s THR 74 Cb -0.00 -3.80 0.11 0.00 0.01 0.00 0.00 72.50 68.82 1q9p s THR 74 CO -0.01 0.15 0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 1q9p s VAL 75 N 0.47 1.02 -0.03 3.82 1.01 0.18 -5.03 120.40 121.86 1q9p s VAL 75 Ca 0.57 -1.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1q9p s VAL 75 Cb -0.33 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1q9p s VAL 75 CO 0.34 -0.74 0.97 -0.22 0.00 0.00 0.00 175.10 175.45 1q9p s LEU 76 N 1.28 4.34 -0.07 3.92 0.20 -1.26 -2.50 118.68 124.59 1q9p s LEU 76 Ca 0.12 1.61 0.02 0.00 0.69 0.00 0.00 54.13 56.58 1q9p s LEU 76 Cb -0.19 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.00 1q9p s LEU 76 CO -0.18 -0.29 -0.14 0.54 -0.29 0.00 0.00 176.35 175.99 1q9p s VAL 77 N 1.22 3.07 0.30 1.68 0.11 -0.48 -2.35 120.40 123.94 1q9p s VAL 77 Ca 0.51 -0.70 -0.03 0.00 -2.93 0.00 0.00 61.98 58.83 1q9p s VAL 77 Cb -0.20 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.41 1q9p s VAL 77 CO 0.25 0.57 0.39 -0.83 -3.33 0.00 0.00 175.10 172.15 1q9p s GLY 78 N -0.43 1.42 0.00 6.54 0.00 0.22 -2.19 107.32 112.88 1q9p s GLY 78 Ca 0.05 -1.51 0.13 0.00 0.00 0.00 0.00 44.72 43.39 1q9p s GLY 78 CO 0.02 -1.07 1.37 -1.55 0.00 0.00 0.00 173.10 171.88 1q9p n PRO 79 N -0.49 0.07 -1.33 2.90 -0.04 -1.26 0.15 135.00 135.00 1q9p n PRO 79 Ca 0.02 0.24 -0.37 0.00 -0.04 0.00 0.00 63.50 63.34 1q9p n PRO 79 Cb 0.62 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 1q9p n PRO 79 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1q9p n THR 80 N -1.42 1.73 -1.85 0.52 5.66 -1.26 -4.55 114.28 113.12 1q9p n THR 80 Ca 0.04 -0.45 -0.35 0.00 -3.05 0.00 0.00 64.05 60.24 1q9p n THR 80 Cb 0.13 -0.62 0.05 0.00 -1.55 0.00 0.00 70.33 68.34 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 -2.30 2.77 0.00 1.09 0.04 -1.26 -3.86 135.00 131.47 1q9p s PRO 81 Ca 0.65 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1q9p s PRO 81 Cb -0.39 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1q9p s PRO 81 CO 0.58 -1.34 0.00 0.28 0.04 0.00 0.00 177.00 176.56 1q9p n VAL 82 N -1.98 0.00 -4.30 -0.36 0.31 -1.26 -4.60 118.33 106.14 1q9p n VAL 82 Ca 0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.28 1q9p n VAL 82 Cb 0.50 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.57 1.28 -0.01 4.52 0.01 -1.24 -1.58 114.94 115.34 1q9p s ASN 83 Ca 0.00 -0.36 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1q9p s ASN 83 Cb 0.00 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.57 1q9p s ASN 83 CO 0.00 0.02 -0.13 -0.51 -1.51 0.00 0.00 177.10 174.97 1q9p s ILE 84 N -0.70 1.03 -0.16 0.60 2.07 -0.79 -2.32 121.20 120.93 1q9p s ILE 84 Ca 0.00 -0.55 -0.04 0.00 -1.41 0.00 0.00 60.65 58.65 1q9p s ILE 84 Cb -0.06 -0.86 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 1q9p s ILE 84 CO 0.01 0.29 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.67 1q9p s ILE 85 N -0.28 3.95 0.54 2.00 -1.09 -0.34 -2.50 121.20 123.49 1q9p s ILE 85 Ca 0.04 -0.34 0.05 0.00 -2.23 0.00 0.00 60.65 58.18 1q9p s ILE 85 Cb -0.05 -2.74 0.05 0.00 -1.58 0.00 0.00 42.46 38.15 1q9p s ILE 85 CO -0.00 0.49 0.75 -0.83 -1.23 0.00 0.00 174.94 174.12 1q9p s GLY 86 N 0.36 1.83 0.55 6.18 0.00 -1.03 -1.73 107.32 113.49 1q9p s GLY 86 Ca -0.04 -1.70 0.22 0.00 0.00 0.00 0.00 44.72 43.20 1q9p s GLY 86 CO 0.03 -1.36 2.19 3.21 0.00 0.00 0.00 173.10 177.17 1q9p h ARG 87 N 0.18 0.00 -0.50 2.90 3.08 -1.84 -2.23 114.38 115.96 1q9p h ARG 87 Ca -0.38 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.73 1q9p h ARG 87 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.29 1q9p h ARG 87 CO 0.45 0.00 0.22 -0.97 -1.07 0.00 0.00 179.97 178.60 1q9p h ASN 88 N 0.00 0.28 0.16 7.04 -1.24 -1.92 0.28 115.58 120.18 1q9p h ASN 88 Ca 0.01 0.04 -0.26 0.00 0.71 0.00 0.00 56.30 56.80 1q9p h ASN 88 Cb 0.04 -0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.10 1q9p h ASN 88 CO -0.00 0.20 -1.04 -0.07 -1.29 0.00 0.00 177.43 175.22 1q9p h LEU 89 N 0.43 0.76 -1.09 0.34 -0.00 -1.83 -3.19 115.31 110.73 1q9p h LEU 89 Ca 0.23 -0.63 0.01 0.00 -0.00 0.00 0.00 57.88 57.49 1q9p h LEU 89 Cb 0.19 -0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 40.57 1q9p h LEU 89 CO -0.19 1.43 0.60 0.25 -0.00 0.00 0.00 178.44 180.52 1q9p h LEU 90 N 0.31 1.06 -1.17 1.67 5.85 -0.94 -1.92 115.31 120.18 1q9p h LEU 90 Ca -0.12 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1q9p h LEU 90 Cb 1.69 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1q9p h LEU 90 CO 0.19 0.77 -0.01 0.74 -0.34 0.00 0.00 178.44 179.79 1q9p h THR 91 N 1.24 1.21 -0.69 1.05 2.02 -0.49 -2.97 112.91 114.28 1q9p h THR 91 Ca 0.33 -0.84 0.05 0.00 0.77 0.00 0.00 66.41 66.72 1q9p h THR 91 Cb -0.13 0.95 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1q9p h THR 91 CO -0.07 0.29 0.41 -0.61 0.37 0.00 0.00 175.52 175.91 1q9p h GLN 92 N 0.54 0.75 0.00 6.66 -0.00 -1.33 -1.24 115.11 120.48 1q9p h GLN 92 Ca 0.11 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1q9p h GLN 92 Cb 0.36 -0.17 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 1q9p h GLN 92 CO 0.01 0.50 -0.19 0.97 0.00 0.00 0.00 178.83 180.12 1q9p h ILE 93 N 0.77 0.69 0.00 2.39 2.10 -1.50 -3.49 117.51 118.47 1q9p h ILE 93 Ca 0.30 -0.80 0.00 0.00 1.08 0.00 0.00 64.86 65.44 1q9p h ILE 93 Cb 0.12 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 1q9p h ILE 93 CO -0.15 0.19 0.00 0.61 -1.08 0.00 0.00 178.15 177.71 1q9p n GLY 94 N -0.46 -1.86 0.00 8.18 0.00 -0.47 -5.16 105.19 105.41 1q9p n GLY 94 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32