#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 1.57 0.60 -0.52 -0.21 -1.26 -5.00 119.66 114.83 1q9p s GLN 2 Ca 0.00 -1.35 0.31 0.00 0.02 0.00 0.00 55.36 54.34 1q9p s GLN 2 Cb 0.00 -1.96 1.82 0.00 1.00 0.00 0.00 33.01 33.88 1q9p s GLN 2 CO 0.00 0.44 2.21 0.97 -2.12 0.00 0.00 175.29 176.80 1q9p h ILE 3 N 3.55 0.46 -3.68 1.08 2.10 -2.12 -3.42 117.51 115.49 1q9p h ILE 3 Ca -0.49 0.00 -0.32 0.00 1.08 0.00 0.00 64.86 65.13 1q9p h ILE 3 Cb 1.18 0.95 -0.17 0.00 -1.09 0.00 0.00 36.82 37.69 1q9p h ILE 3 CO 0.44 0.00 -0.73 0.28 -1.08 0.00 0.00 178.15 177.06 1q9p s THR 4 N -4.59 0.98 0.17 2.19 -1.32 -1.26 -5.16 115.64 106.65 1q9p s THR 4 Ca -0.05 -1.71 0.06 0.00 -1.21 0.00 0.00 61.69 58.78 1q9p s THR 4 Cb 0.15 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.65 1q9p s THR 4 CO 0.53 -0.59 0.11 -1.48 -2.21 0.00 0.00 174.62 170.98 1q9p s LEU 5 N -2.57 3.70 0.67 9.08 0.05 -1.26 -5.09 118.68 123.26 1q9p s LEU 5 Ca 0.07 -0.19 -0.17 0.00 0.05 0.00 0.00 54.13 53.89 1q9p s LEU 5 Cb -0.02 -2.31 -0.01 0.00 -2.05 0.00 0.00 46.19 41.80 1q9p s LEU 5 CO 0.00 0.07 1.15 0.79 -0.55 0.00 0.00 176.35 177.81 1q9p n TRP 6 N -0.33 1.37 -3.32 3.48 7.02 -1.26 -3.15 117.44 121.26 1q9p n TRP 6 Ca -0.09 0.42 -0.17 0.00 -1.02 0.00 0.00 57.50 56.64 1q9p n TRP 6 Cb 0.55 -2.19 0.07 0.00 -2.42 0.00 0.00 31.31 27.33 1q9p n TRP 6 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1q9p n LYS 7 N -1.83 -6.18 -0.21 -0.99 5.02 -1.26 -4.92 118.16 107.80 1q9p n LYS 7 Ca 0.15 0.73 -0.08 0.00 -2.02 0.00 0.00 58.31 57.09 1q9p n LYS 7 Cb 0.48 -5.43 -0.06 0.00 -0.02 0.00 0.00 35.03 30.00 1q9p n LYS 7 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q9p h ARG 8 N -1.90 -0.09 -6.89 1.97 3.08 -1.98 -3.41 114.38 105.16 1q9p h ARG 8 Ca -0.51 0.01 -0.56 0.00 0.07 0.00 0.00 59.98 58.99 1q9p h ARG 8 Cb 1.30 0.02 0.14 0.00 0.08 0.00 0.00 29.97 31.51 1q9p h ARG 8 CO 0.45 -0.06 0.46 -0.35 -1.07 0.00 0.00 179.97 179.40 1q9p n PRO 9 N -4.43 1.68 -2.17 0.04 -0.04 -1.26 -5.01 135.00 123.81 1q9p n PRO 9 Ca 0.00 0.61 -0.26 0.00 -0.04 0.00 0.00 63.50 63.80 1q9p n PRO 9 Cb 0.18 -2.40 0.09 0.00 -0.04 0.00 0.00 33.50 31.34 1q9p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1q9p s LEU 10 N -2.24 2.79 0.17 1.53 1.43 -1.26 -5.04 118.68 116.06 1q9p s LEU 10 Ca 0.67 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 1q9p s LEU 10 Cb -0.47 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 1q9p s LEU 10 CO 0.54 -1.85 0.99 -0.69 0.23 0.00 0.00 176.35 175.57 1q9p s VAL 11 N -3.37 4.21 0.07 -1.59 1.01 -1.26 -5.05 120.40 114.41 1q9p s VAL 11 Ca 0.63 1.95 0.10 0.00 0.00 0.00 0.00 61.98 64.66 1q9p s VAL 11 Cb -0.09 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1q9p s VAL 11 CO 0.46 0.36 -0.26 -0.89 0.00 0.00 0.00 175.10 174.77 1q9p s THR 12 N -0.41 2.21 0.21 3.92 2.01 -1.26 -3.92 115.64 118.41 1q9p s THR 12 Ca 0.46 -1.48 0.11 0.00 0.31 0.00 0.00 61.69 61.10 1q9p s THR 12 Cb -0.26 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 1q9p s THR 12 CO 0.32 0.29 -0.23 0.27 -0.69 0.00 0.00 174.62 174.58 1q9p s ILE 13 N -0.88 2.41 -0.26 1.82 -4.36 -0.32 -4.89 121.20 114.72 1q9p s ILE 13 Ca 0.13 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 1q9p s ILE 13 Cb -0.10 -2.18 0.06 0.00 1.25 0.00 0.00 42.46 41.48 1q9p s ILE 13 CO 0.03 -0.19 -0.10 -0.54 0.24 0.00 0.00 174.94 174.39 1q9p s LYS 14 N -2.88 2.32 -0.19 0.37 1.02 -1.08 -2.26 119.74 117.03 1q9p s LYS 14 Ca 0.23 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.93 1q9p s LYS 14 Cb -0.07 -2.91 0.04 0.00 -0.52 0.00 0.00 37.83 34.37 1q9p s LYS 14 CO 0.11 -0.55 -0.09 0.42 -0.92 0.00 0.00 175.35 174.33 1q9p s ILE 15 N 1.13 1.50 0.00 2.17 1.01 -0.91 -1.84 121.20 124.27 1q9p s ILE 15 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1q9p s ILE 15 Cb -0.19 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1q9p s ILE 15 CO -0.05 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1q9p n GLY 16 N 4.73 0.30 0.63 6.18 0.00 -1.26 -1.84 105.19 113.93 1q9p n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.37 0.69 3.88 -0.02 0.00 -1.26 -5.06 105.19 102.05 1q9p n GLY 17 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.61 -0.25 1.61 -0.21 -0.76 -5.07 119.66 117.82 1q9p s GLN 18 Ca 0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 55.36 55.19 1q9p s GLN 18 Cb 0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 1q9p s GLN 18 CO 0.00 0.61 0.36 -0.51 -2.12 0.00 0.00 175.29 173.63 1q9p s LEU 19 N -1.90 4.07 0.10 2.90 1.43 -1.26 -2.13 118.68 121.90 1q9p s LEU 19 Ca 0.30 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.76 1q9p s LEU 19 Cb -0.13 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1q9p s LEU 19 CO 0.18 -0.13 -0.09 -0.54 0.23 0.00 0.00 176.35 175.99 1q9p s LYS 20 N 1.79 0.86 0.03 1.70 1.02 -0.96 -5.00 119.74 119.17 1q9p s LYS 20 Ca 0.15 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 54.95 1q9p s LYS 20 Cb -0.15 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1q9p s LYS 20 CO 0.09 0.05 -0.03 -1.21 -0.92 0.00 0.00 175.35 173.34 1q9p s GLU 21 N -3.13 2.61 -0.01 1.68 2.02 -1.26 -1.18 118.70 119.44 1q9p s GLU 21 Ca 0.08 -0.72 -0.10 0.00 0.02 0.00 0.00 54.97 54.24 1q9p s GLU 21 Cb -0.00 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.67 1q9p s GLU 21 CO -0.01 0.59 0.21 0.00 0.02 0.00 0.00 175.26 176.07 1q9p s ALA 22 N -1.11 -0.52 0.02 5.21 0.00 -1.25 -3.83 121.76 120.28 1q9p s ALA 22 Ca 0.20 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1q9p s ALA 22 Cb -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 1q9p s ALA 22 CO 0.11 -0.22 -0.08 -0.51 0.00 0.00 0.00 175.76 175.07 1q9p s LEU 23 N -1.21 3.13 -0.02 0.00 1.43 -0.94 -4.73 118.68 116.32 1q9p s LEU 23 Ca -0.13 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.58 1q9p s LEU 23 Cb -0.06 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1q9p s LEU 23 CO 0.02 0.27 0.58 -0.76 0.23 0.00 0.00 176.35 176.69 1q9p s LEU 24 N -1.53 4.40 -0.27 1.79 2.01 -1.26 -2.15 118.68 121.66 1q9p s LEU 24 Ca 0.18 1.11 -0.04 0.00 0.01 0.00 0.00 54.13 55.39 1q9p s LEU 24 Cb -0.11 -2.88 0.09 0.00 0.01 0.00 0.00 46.19 43.30 1q9p s LEU 24 CO 0.08 0.09 0.12 -0.62 1.01 0.00 0.00 176.35 177.03 1q9p s ASP 25 N -0.08 3.43 0.62 2.29 2.15 -1.05 -4.94 116.67 119.09 1q9p s ASP 25 Ca 0.30 -1.23 0.35 0.00 0.43 0.00 0.00 52.55 52.40 1q9p s ASP 25 Cb -0.18 -0.42 2.04 0.00 -0.30 0.00 0.00 42.92 44.06 1q9p s ASP 25 CO 0.16 -0.42 2.30 0.74 -0.17 0.00 0.00 175.17 177.78 1q9p h THR 26 N 6.43 0.34 -0.45 1.71 2.02 -1.97 -1.52 112.91 119.47 1q9p h THR 26 Ca -0.18 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.71 1q9p h THR 26 Cb 1.03 1.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.31 1q9p h THR 26 CO 0.42 0.00 0.37 0.61 0.37 0.00 0.00 175.52 177.29 1q9p n GLY 27 N -1.24 3.81 2.63 2.16 0.00 -1.26 -4.63 105.19 106.66 1q9p n GLY 27 Ca -0.03 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1q9p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9p s ALA 28 N -1.67 0.17 0.27 4.61 0.00 -0.57 -5.00 121.76 119.56 1q9p s ALA 28 Ca 0.28 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.20 1q9p s ALA 28 Cb 0.23 -1.68 0.36 0.00 0.00 0.00 0.00 23.12 22.02 1q9p s ALA 28 CO 0.01 -1.86 1.87 -0.44 0.00 0.00 0.00 175.76 175.33 1q9p h ASP 29 N 7.80 0.92 -1.21 0.00 3.32 -1.85 -3.21 116.42 122.19 1q9p h ASP 29 Ca -0.07 -0.10 -0.46 0.00 0.02 0.00 0.00 57.03 56.41 1q9p h ASP 29 Cb 1.03 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.35 1q9p h ASP 29 CO 0.32 0.78 -0.23 -1.81 -1.72 0.00 0.00 179.24 176.59 1q9p s ASP 30 N -6.42 5.35 0.02 6.45 1.01 -1.26 -3.97 116.67 117.85 1q9p s ASP 30 Ca -0.11 -0.64 0.04 0.00 0.71 0.00 0.00 52.55 52.55 1q9p s ASP 30 Cb 0.16 -0.30 -0.02 0.00 1.01 0.00 0.00 42.92 43.78 1q9p s ASP 30 CO 0.81 -0.94 -0.11 0.28 0.21 0.00 0.00 175.17 175.41 1q9p s THR 31 N -2.49 0.89 -0.02 -1.27 -1.32 -1.26 -3.88 115.64 106.29 1q9p s THR 31 Ca 0.55 -0.76 -0.11 0.00 -1.21 0.00 0.00 61.69 60.17 1q9p s THR 31 Cb -0.07 -0.80 0.01 0.00 -1.51 0.00 0.00 72.50 70.13 1q9p s THR 31 CO 0.33 0.04 0.23 0.54 -2.21 0.00 0.00 174.62 173.56 1q9p s VAL 32 N -0.65 0.06 0.20 5.08 0.11 -0.99 -3.96 120.40 120.25 1q9p s VAL 32 Ca 0.01 -0.48 0.10 0.00 -2.93 0.00 0.00 61.98 58.69 1q9p s VAL 32 Cb -0.06 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1q9p s VAL 32 CO 0.00 -0.26 -0.21 0.27 -3.33 0.00 0.00 175.10 171.57 1q9p s ILE 33 N -1.08 2.15 0.66 7.04 -4.36 -0.85 -0.90 121.20 123.85 1q9p s ILE 33 Ca -0.12 -2.05 -0.17 0.00 -0.26 0.00 0.00 60.65 58.05 1q9p s ILE 33 Cb -0.06 -2.04 -0.06 0.00 1.25 0.00 0.00 42.46 41.55 1q9p s ILE 33 CO 0.02 -0.25 0.48 1.21 0.24 0.00 0.00 174.94 176.64 1q9p n GLU 34 N 0.12 0.37 -0.15 0.37 2.13 -0.19 -2.10 120.64 121.19 1q9p n GLU 34 Ca -0.11 0.16 -0.04 0.00 0.66 0.00 0.00 57.16 57.83 1q9p n GLU 34 Cb 0.57 -1.73 -0.03 0.00 0.27 0.00 0.00 31.44 30.51 1q9p n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1q9p n GLU 35 N -0.31 -0.15 -0.45 5.31 2.13 -0.97 -4.49 120.64 121.72 1q9p n GLU 35 Ca 0.10 0.98 -0.21 0.00 0.66 0.00 0.00 57.16 58.69 1q9p n GLU 35 Cb 0.49 -1.46 -0.04 0.00 0.27 0.00 0.00 31.44 30.70 1q9p n GLU 35 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1q9p n MET 36 N -3.75 0.00 -3.48 5.31 2.81 -1.26 -4.88 117.12 111.86 1q9p n MET 36 Ca 0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.88 1q9p n MET 36 Cb 0.09 -0.54 -0.05 0.00 -0.71 0.00 0.00 33.22 32.02 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 2.15 -0.88 0.44 7.83 0.15 -1.26 -5.07 113.70 117.06 1q9p s SER 37 Ca 0.43 1.13 -0.11 0.00 0.70 0.00 0.00 55.95 58.10 1q9p s SER 37 Cb -0.54 1.95 -0.09 0.00 -1.71 0.00 0.00 66.02 65.63 1q9p s SER 37 CO 0.24 -0.24 -0.26 0.18 1.20 0.00 0.00 173.24 174.35 1q9p n LEU 38 N 5.42 -2.88 0.00 3.45 4.77 -1.26 -4.93 117.00 121.58 1q9p n LEU 38 Ca -0.07 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1q9p n LEU 38 Cb 0.50 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1q9p n LEU 38 CO -0.00 -3.25 0.00 -0.81 -1.33 0.00 0.00 177.39 172.00 1q9p n PRO 39 N 1.18 1.96 0.00 3.23 -0.04 -1.26 -4.94 135.00 135.14 1q9p n PRO 39 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1q9p n PRO 39 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.00 0.42 3.33 0.55 0.00 -1.26 -4.99 105.19 103.24 1q9p n GLY 40 Ca 0.00 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 2.25 0.09 1.61 3.52 -1.26 -5.13 118.95 120.03 1q9p s ARG 41 Ca 0.00 -0.89 -0.02 0.00 -0.13 0.00 0.00 55.73 54.69 1q9p s ARG 41 Cb 0.00 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.24 1q9p s ARG 41 CO 0.00 0.54 0.04 1.67 -0.81 0.00 0.00 175.30 176.74 1q9p s TRP 42 N -0.56 0.64 0.02 5.12 1.48 -1.26 -4.18 118.94 120.19 1q9p s TRP 42 Ca 0.08 -1.09 -0.01 0.00 -1.06 0.00 0.00 56.10 54.03 1q9p s TRP 42 Cb -0.11 -0.39 -0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1q9p s TRP 42 CO -0.00 -0.47 -0.01 0.15 -4.06 0.00 0.00 176.95 172.55 1q9p s LYS 43 N -3.98 0.28 0.11 3.25 1.02 -1.21 -4.97 119.74 114.24 1q9p s LYS 43 Ca 0.15 -0.50 -0.31 0.00 0.02 0.00 0.00 55.97 55.33 1q9p s LYS 43 Cb 0.07 0.10 -0.08 0.00 -0.52 0.00 0.00 37.83 37.41 1q9p s LYS 43 CO -0.04 -0.05 1.39 -1.25 -0.92 0.00 0.00 175.35 174.48 1q9p s PRO 44 N -1.24 4.32 0.01 -1.68 0.04 -1.26 -2.55 135.00 132.64 1q9p s PRO 44 Ca -0.14 2.07 0.02 0.00 0.04 0.00 0.00 61.00 63.00 1q9p s PRO 44 Cb -0.08 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1q9p s PRO 44 CO -0.01 -0.45 -0.07 0.21 0.04 0.00 0.00 177.00 176.72 1q9p s LYS 45 N 1.22 0.54 -0.00 4.56 2.20 0.56 -4.96 119.74 123.86 1q9p s LYS 45 Ca 0.65 -0.39 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 1q9p s LYS 45 Cb -0.36 -0.48 -0.02 0.00 -1.51 0.00 0.00 37.83 35.45 1q9p s LYS 45 CO 0.30 0.12 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.55 1q9p s MET 46 N -0.56 2.12 -0.09 4.03 -1.94 -1.26 -0.16 119.30 121.44 1q9p s MET 46 Ca -0.01 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 53.08 1q9p s MET 46 Cb -0.05 -2.12 0.00 0.00 2.01 0.00 0.00 34.83 34.68 1q9p s MET 46 CO 0.00 0.56 -0.20 0.42 -0.01 0.00 0.00 175.02 175.79 1q9p s ILE 47 N -0.72 1.73 0.00 2.53 1.01 -0.95 -4.99 121.20 119.81 1q9p s ILE 47 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1q9p s ILE 47 Cb -0.10 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1q9p s ILE 47 CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1q9p n GLY 48 N 3.60 1.45 7.00 6.18 0.00 -1.26 -2.23 105.19 119.94 1q9p n GLY 48 Ca -0.20 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 4.27 1.61 0.34 -0.02 0.00 -1.26 -3.18 105.19 106.95 1q9p n GLY 49 Ca 0.00 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.05 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 0.33 0.00 -0.61 2.10 -2.07 -3.43 117.51 113.82 1q9p h ILE 50 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1q9p h ILE 50 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 1q9p h ILE 50 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 1q9p n GLY 51 N -1.33 1.39 2.55 8.18 0.00 -1.21 -5.04 105.19 109.73 1q9p n GLY 51 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.67 3.54 -0.02 0.00 -1.19 -4.93 105.19 107.25 1q9p n GLY 52 Ca 0.00 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.82 1q9p n GLY 52 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q9p n PHE 53 N 0.78 0.92 -4.30 1.61 7.35 -1.14 -4.37 117.46 118.31 1q9p n PHE 53 Ca 0.51 0.02 -0.21 0.00 -0.76 0.00 0.00 57.45 57.01 1q9p n PHE 53 Cb 0.46 -2.15 -0.13 0.00 0.35 0.00 0.00 39.48 38.01 1q9p n PHE 53 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1q9p s ILE 54 N 11.08 1.31 -0.23 -2.13 2.07 -0.94 -4.97 121.20 127.38 1q9p s ILE 54 Ca 1.04 -1.26 -0.17 0.00 -1.41 0.00 0.00 60.65 58.85 1q9p s ILE 54 Cb -0.34 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 1q9p s ILE 54 CO 0.23 -0.08 0.47 -0.75 -1.91 0.00 0.00 174.94 172.90 1q9p s LYS 55 N -1.55 4.12 0.22 3.50 2.20 -1.26 -2.23 119.74 124.73 1q9p s LYS 55 Ca 0.02 0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.95 1q9p s LYS 55 Cb -0.09 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 1q9p s LYS 55 CO 0.02 -0.22 -0.04 0.14 -0.36 0.00 0.00 175.35 174.90 1q9p s VAL 56 N 1.87 1.22 0.03 4.02 -7.23 0.77 -4.87 120.40 116.21 1q9p s VAL 56 Ca 0.21 -2.07 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1q9p s VAL 56 Cb -0.15 -2.25 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1q9p s VAL 56 CO 0.09 -0.42 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.18 1q9p s ARG 57 N -3.80 2.18 -0.18 4.82 0.52 -0.82 -0.33 118.95 121.34 1q9p s ARG 57 Ca 0.26 -0.92 -0.05 0.00 -0.52 0.00 0.00 55.73 54.49 1q9p s ARG 57 Cb 0.04 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.22 1q9p s ARG 57 CO 0.08 0.55 0.00 -1.14 0.02 0.00 0.00 175.30 174.81 1q9p s GLN 58 N -1.45 3.72 -0.12 3.54 0.74 -1.06 0.38 119.66 125.42 1q9p s GLN 58 Ca 0.15 -0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.09 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 0.06 0.14 -0.12 0.71 -0.55 0.00 0.00 175.29 175.53 1q9p s TYR 59 N 0.66 2.82 0.00 1.67 1.51 -1.12 -3.29 117.35 119.61 1q9p s TYR 59 Ca -0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1q9p s TYR 59 Cb -0.14 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 1q9p s TYR 59 CO 0.02 -0.10 0.00 -0.25 -1.11 0.00 0.00 175.55 174.11 1q9p n ASP 60 N 3.26 0.00 -1.12 2.29 8.00 -1.26 -1.43 116.55 126.28 1q9p n ASP 60 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1q9p n ASP 60 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1q9p n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q9p n GLN 61 N 0.00 -1.26 -4.68 -1.24 10.64 -1.26 -4.83 117.38 114.75 1q9p n GLN 61 Ca 0.00 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.85 1q9p n GLN 61 Cb 0.00 -3.21 -0.12 0.00 -0.86 0.00 0.00 30.24 26.05 1q9p n GLN 61 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1q9p s ILE 62 N -0.99 3.20 0.19 -0.39 1.01 -1.26 -5.06 121.20 117.91 1q9p s ILE 62 Ca 0.00 -0.86 0.11 0.00 0.00 0.00 0.00 60.65 59.90 1q9p s ILE 62 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1q9p s ILE 62 CO 0.00 0.46 -0.22 0.27 0.00 0.00 0.00 174.94 175.45 1q9p s ILE 63 N -0.87 2.20 -0.07 2.92 -4.36 -1.26 -2.82 121.20 116.93 1q9p s ILE 63 Ca 0.14 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1q9p s ILE 63 Cb -0.11 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1q9p s ILE 63 CO 0.04 -0.20 -0.23 -0.63 0.24 0.00 0.00 174.94 174.16 1q9p s ILE 64 N -1.85 2.18 -0.16 8.37 1.01 0.21 -4.58 121.20 126.37 1q9p s ILE 64 Ca 0.20 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1q9p s ILE 64 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1q9p s ILE 64 CO 0.09 0.57 -0.01 -0.70 0.00 0.00 0.00 174.94 174.89 1q9p s GLU 65 N -0.04 3.74 -0.13 2.79 2.12 -0.77 0.29 118.70 126.70 1q9p s GLU 65 Ca -0.07 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 54.78 1q9p s GLU 65 Cb -0.15 -2.99 0.03 0.00 0.26 0.00 0.00 34.13 31.28 1q9p s GLU 65 CO 0.05 0.24 -0.09 0.42 -0.54 0.00 0.00 175.26 175.33 1q9p s ILE 66 N 0.40 1.19 0.00 -3.70 1.01 -0.89 -2.64 121.20 116.57 1q9p s ILE 66 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1q9p s ILE 66 Cb -0.14 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1q9p s ILE 66 CO 0.02 0.36 0.02 0.00 0.00 0.00 0.00 174.94 175.35 1q9p n ALA 67 N 4.89 0.01 0.00 9.38 0.00 -1.26 -1.08 120.51 132.44 1q9p n ALA 67 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1q9p n ALA 67 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.09 0.89 3.53 0.00 0.00 -1.26 -5.15 105.19 103.29 1q9p n GLY 68 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.33 0.08 1.61 3.76 -0.24 -5.16 115.29 115.00 1q9p s HIS 69 Ca 0.00 0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 54.85 1q9p s HIS 69 Cb 0.00 0.52 -0.06 0.00 1.11 0.00 0.00 32.58 34.15 1q9p s HIS 69 CO 0.00 -0.93 0.37 -1.59 -0.85 0.00 0.00 174.74 171.74 1q9p s LYS 70 N -3.82 3.70 0.02 1.40 -2.85 -1.26 -2.10 119.74 114.84 1q9p s LYS 70 Ca 0.05 0.08 0.06 0.00 -1.00 0.00 0.00 55.97 55.17 1q9p s LYS 70 Cb -0.02 -2.98 -0.02 0.00 -2.06 0.00 0.00 37.83 32.75 1q9p s LYS 70 CO -0.06 0.56 -0.18 0.00 0.10 0.00 0.00 175.35 175.77 1q9p s ALA 71 N -1.43 1.49 -0.08 0.59 0.00 0.14 -4.96 121.76 117.52 1q9p s ALA 71 Ca 0.34 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.44 1q9p s ALA 71 Cb -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1q9p s ALA 71 CO 0.19 0.33 -0.20 -1.50 0.00 0.00 0.00 175.76 174.58 1q9p s ILE 72 N -0.68 1.70 -0.15 0.00 2.07 -1.26 0.64 121.20 123.53 1q9p s ILE 72 Ca 0.06 -0.82 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 1q9p s ILE 72 Cb -0.08 -1.49 0.00 0.00 0.13 0.00 0.00 42.46 41.02 1q9p s ILE 72 CO 0.01 0.48 0.00 0.61 -1.91 0.00 0.00 174.94 174.13 1q9p n GLY 73 N 3.53 -1.16 3.76 1.50 0.00 -1.13 -5.03 105.19 106.67 1q9p n GLY 73 Ca -0.20 -0.98 -0.39 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 -2.21 4.00 -0.29 2.61 2.01 -1.26 -4.25 115.64 116.25 1q9p s THR 74 Ca 0.00 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.88 1q9p s THR 74 Cb 0.00 -4.17 0.09 0.00 0.01 0.00 0.00 72.50 68.44 1q9p s THR 74 CO 0.00 0.37 0.10 0.68 -0.69 0.00 0.00 174.62 175.08 1q9p s VAL 75 N -1.31 0.54 0.45 3.82 -7.23 -0.52 -5.04 120.40 111.11 1q9p s VAL 75 Ca 0.45 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 59.29 1q9p s VAL 75 Cb -0.25 -1.36 -0.08 0.00 0.56 0.00 0.00 36.38 35.25 1q9p s VAL 75 CO 0.31 -0.62 1.32 -0.76 -0.31 0.00 0.00 175.10 175.03 1q9p s LEU 76 N 1.80 4.09 -0.12 1.32 1.43 -1.25 -2.79 118.68 123.16 1q9p s LEU 76 Ca 0.08 2.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1q9p s LEU 76 Cb -0.17 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 1q9p s LEU 76 CO -0.26 -1.06 -0.13 -0.69 0.23 0.00 0.00 176.35 174.44 1q9p s VAL 77 N -1.30 3.06 0.13 -1.59 1.01 0.16 -2.00 120.40 119.86 1q9p s VAL 77 Ca 0.61 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1q9p s VAL 77 Cb -0.38 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1q9p s VAL 77 CO 0.48 0.53 -0.03 -0.83 0.00 0.00 0.00 175.10 175.25 1q9p s GLY 78 N 0.26 0.97 0.40 4.51 0.00 -0.89 -1.95 107.32 110.61 1q9p s GLY 78 Ca -0.09 -1.46 0.28 0.00 0.00 0.00 0.00 44.72 43.45 1q9p s GLY 78 CO 0.05 -1.48 1.84 -0.56 0.00 0.00 0.00 173.10 172.96 1q9p h PRO 79 N 2.85 0.00 -6.63 2.90 0.13 -1.89 -2.57 132.00 126.79 1q9p h PRO 79 Ca -0.36 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.19 1q9p h PRO 79 Cb 1.18 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.44 1q9p h PRO 79 CO 0.64 0.00 0.15 -2.37 -0.23 0.00 0.00 178.00 176.18 1q9p n THR 80 N -2.65 2.42 -1.19 1.56 5.66 -1.26 -4.73 114.28 114.09 1q9p n THR 80 Ca 0.01 -0.50 -0.31 0.00 -3.05 0.00 0.00 64.05 60.20 1q9p n THR 80 Cb 0.27 -1.14 0.10 0.00 -1.55 0.00 0.00 70.33 68.02 1q9p n THR 80 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1q9p s PRO 81 N -1.99 2.01 1.73 1.09 0.04 -1.26 -4.14 135.00 132.47 1q9p s PRO 81 Ca 0.63 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1q9p s PRO 81 Cb -0.56 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1q9p s PRO 81 CO 0.57 -1.85 0.00 0.28 0.04 0.00 0.00 177.00 176.04 1q9p n VAL 82 N -3.52 0.00 -4.07 -0.36 0.31 -1.26 -4.74 118.33 104.69 1q9p n VAL 82 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.30 1q9p n VAL 82 Cb 0.52 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.34 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 0.89 -0.03 4.52 0.01 -1.25 -1.03 114.94 114.05 1q9p s ASN 83 Ca 0.00 -0.55 0.05 0.00 -0.71 0.00 0.00 52.86 51.64 1q9p s ASN 83 Cb 0.00 0.03 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 1q9p s ASN 83 CO 0.00 -0.20 -0.18 -0.51 -1.51 0.00 0.00 177.10 174.70 1q9p s ILE 84 N -1.38 1.45 -0.01 0.60 2.07 -0.08 -2.22 121.20 121.62 1q9p s ILE 84 Ca -0.10 -0.75 0.03 0.00 -1.41 0.00 0.00 60.65 58.43 1q9p s ILE 84 Cb -0.10 -1.23 -0.03 0.00 0.13 0.00 0.00 42.46 41.22 1q9p s ILE 84 CO 0.00 0.42 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.74 1q9p s ILE 85 N -0.12 3.54 0.10 2.00 1.01 -0.91 -2.34 121.20 124.48 1q9p s ILE 85 Ca -0.00 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1q9p s ILE 85 Cb -0.10 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 1q9p s ILE 85 CO 0.01 0.45 0.02 0.61 0.00 0.00 0.00 174.94 176.03 1q9p n GLY 86 N 1.77 3.98 0.36 6.18 0.00 -1.25 -2.52 105.19 113.70 1q9p n GLY 86 Ca -0.16 -2.08 0.18 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.89 1.61 3.08 -1.68 -1.91 114.38 114.59 1q9p h ARG 87 Ca -0.08 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.15 1q9p h ARG 87 Cb 0.27 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.21 1q9p h ARG 87 CO 0.13 0.00 0.46 -0.97 -1.07 0.00 0.00 179.97 178.52 1q9p h ASN 88 N 0.00 0.52 0.33 7.04 -0.73 -1.87 0.21 115.58 121.08 1q9p h ASN 88 Ca 0.14 0.11 -0.33 0.00 1.87 0.00 0.00 56.30 58.09 1q9p h ASN 88 Cb 0.74 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 1q9p h ASN 88 CO -0.00 0.17 -1.70 -0.07 -0.37 0.00 0.00 177.43 175.46 1q9p h LEU 89 N 0.59 0.40 -0.91 0.34 4.07 -1.73 -3.35 115.31 114.72 1q9p h LEU 89 Ca 0.51 -0.65 0.06 0.00 0.08 0.00 0.00 57.88 57.88 1q9p h LEU 89 Cb 0.81 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.36 1q9p h LEU 89 CO -0.41 1.56 0.57 -0.07 -1.08 0.00 0.00 178.44 179.01 1q9p h LEU 90 N 0.07 0.91 -2.41 1.67 3.38 -1.20 0.16 115.31 117.89 1q9p h LEU 90 Ca -0.31 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1q9p h LEU 90 Cb 2.04 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1q9p h LEU 90 CO 0.14 0.58 0.00 0.71 0.09 0.00 0.00 178.44 179.97 1q9p h THR 91 N 1.05 0.00 -3.43 0.22 1.35 -1.12 -3.21 112.91 107.77 1q9p h THR 91 Ca 0.39 -0.15 -0.54 0.00 -0.55 0.00 0.00 66.41 65.56 1q9p h THR 91 Cb 0.16 1.12 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1q9p h THR 91 CO -0.17 0.00 0.08 -1.58 -0.25 0.00 0.00 175.52 173.60 1q9p s GLN 92 N -3.96 4.33 0.00 4.72 2.00 0.57 -4.18 119.66 123.14 1q9p s GLN 92 Ca -0.03 0.90 0.00 0.00 -2.00 0.00 0.00 55.36 54.24 1q9p s GLN 92 Cb 0.11 -3.13 0.00 0.00 0.80 0.00 0.00 33.01 30.79 1q9p s GLN 92 CO 0.44 0.54 0.00 -0.89 -0.50 0.00 0.00 175.29 174.88 1q9p n ILE 93 N 1.35 0.00 -0.24 -2.34 5.41 -1.26 -3.43 119.36 118.84 1q9p n ILE 93 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1q9p n ILE 93 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 1q9p n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q9p n GLY 94 N 0.00 0.79 0.00 7.39 0.00 -1.21 -5.19 105.19 106.97 1q9p n GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32