#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 3.28 -0.11 0.54 -0.21 -1.26 -5.10 119.66 116.79 1q9p s GLN 2 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1q9p s GLN 2 Cb 0.00 -3.04 -0.02 0.00 1.00 0.00 0.00 33.01 30.95 1q9p s GLN 2 CO 0.00 0.74 -0.11 0.42 -2.12 0.00 0.00 175.29 174.22 1q9p s ILE 3 N -1.02 3.23 0.28 1.08 -1.09 -1.26 -5.01 121.20 117.41 1q9p s ILE 3 Ca 0.16 -0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1q9p s ILE 3 Cb -0.12 -2.35 0.16 0.00 -1.58 0.00 0.00 42.46 38.57 1q9p s ILE 3 CO 0.05 0.54 1.83 0.71 -1.23 0.00 0.00 174.94 176.84 1q9p h THR 4 N 5.09 1.22 -3.46 2.92 1.35 -2.09 -3.39 112.91 114.54 1q9p h THR 4 Ca -0.32 -0.80 -0.67 0.00 -0.55 0.00 0.00 66.41 64.07 1q9p h THR 4 Cb 1.20 0.66 -0.31 0.00 -1.73 0.00 0.00 68.15 67.96 1q9p h THR 4 CO 0.55 0.30 -0.75 -1.48 -0.25 0.00 0.00 175.52 173.90 1q9p s LEU 5 N -9.35 3.09 0.01 3.87 2.34 -1.26 -5.10 118.68 112.27 1q9p s LEU 5 Ca -0.10 -0.78 0.08 0.00 0.06 0.00 0.00 54.13 53.39 1q9p s LEU 5 Cb 0.16 -1.67 -0.03 0.00 -0.56 0.00 0.00 46.19 44.09 1q9p s LEU 5 CO 0.80 -0.11 -0.24 0.86 -1.06 0.00 0.00 176.35 176.60 1q9p s TRP 6 N 1.35 2.39 -0.24 3.48 -0.11 -1.26 -5.08 118.94 119.47 1q9p s TRP 6 Ca 0.01 -0.38 -0.29 0.00 1.22 0.00 0.00 56.10 56.67 1q9p s TRP 6 Cb -0.16 -1.47 -0.02 0.00 -1.50 0.00 0.00 33.47 30.32 1q9p s TRP 6 CO -0.05 0.08 1.51 0.15 -4.62 0.00 0.00 176.95 174.03 1q9p s LYS 7 N -0.96 3.85 -0.09 5.86 1.02 -1.26 -4.88 119.74 123.29 1q9p s LYS 7 Ca 0.11 1.56 -0.08 0.00 0.02 0.00 0.00 55.97 57.58 1q9p s LYS 7 Cb -0.10 -3.98 -0.28 0.00 -0.52 0.00 0.00 37.83 32.95 1q9p s LYS 7 CO 0.01 -1.21 0.50 -0.09 -0.92 0.00 0.00 175.35 173.64 1q9p h ARG 8 N 10.19 0.30 -6.80 1.68 2.43 -2.05 -3.47 114.38 116.66 1q9p h ARG 8 Ca -0.31 -0.52 -0.57 0.00 -0.81 0.00 0.00 59.98 57.77 1q9p h ARG 8 Cb 1.14 0.19 0.15 0.00 -0.42 0.00 0.00 29.97 31.02 1q9p h ARG 8 CO 1.01 1.23 0.25 -2.30 -1.51 0.00 0.00 179.97 178.64 1q9p n PRO 9 N -3.51 1.29 -3.07 0.20 -0.02 -1.26 -4.99 135.00 123.64 1q9p n PRO 9 Ca -0.28 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 1q9p n PRO 9 Cb 1.06 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1q9p n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q9p s LEU 10 N -1.69 3.96 0.44 2.45 1.02 -1.26 -5.06 118.68 118.53 1q9p s LEU 10 Ca 0.69 1.03 -0.21 0.00 0.02 0.00 0.00 54.13 55.66 1q9p s LEU 10 Cb -0.47 -3.87 -0.11 0.00 0.02 0.00 0.00 46.19 41.76 1q9p s LEU 10 CO 0.52 -0.29 0.96 0.54 0.02 0.00 0.00 176.35 178.11 1q9p s VAL 11 N -2.18 4.29 0.15 -1.59 0.11 -1.26 -5.07 120.40 114.84 1q9p s VAL 11 Ca 0.49 1.44 0.05 0.00 -2.93 0.00 0.00 61.98 61.03 1q9p s VAL 11 Cb -0.10 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 1q9p s VAL 11 CO 0.28 -0.30 -0.11 0.28 -3.33 0.00 0.00 175.10 171.92 1q9p s THR 12 N -2.13 1.22 0.24 5.04 -1.32 -1.26 -4.09 115.64 113.34 1q9p s THR 12 Ca 0.63 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.18 1q9p s THR 12 Cb -0.10 -1.79 -0.05 0.00 -1.51 0.00 0.00 72.50 69.04 1q9p s THR 12 CO 0.14 -0.68 -0.11 0.27 -2.21 0.00 0.00 174.62 172.03 1q9p s ILE 13 N -3.09 1.76 -0.12 5.08 -4.36 -0.55 -3.94 121.20 115.98 1q9p s ILE 13 Ca 0.15 -2.19 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1q9p s ILE 13 Cb 0.01 -2.23 0.02 0.00 1.25 0.00 0.00 42.46 41.51 1q9p s ILE 13 CO 0.01 -0.46 -0.09 -0.75 0.24 0.00 0.00 174.94 173.89 1q9p s LYS 14 N -3.67 1.70 -0.05 0.37 2.20 -0.86 -2.21 119.74 117.22 1q9p s LYS 14 Ca 0.26 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 1q9p s LYS 14 Cb 0.01 -1.68 0.02 0.00 -1.51 0.00 0.00 37.83 34.67 1q9p s LYS 14 CO 0.10 -0.23 0.13 0.96 -0.36 0.00 0.00 175.35 175.94 1q9p s ILE 15 N 1.57 -0.02 0.00 5.43 -0.00 -1.01 -2.56 121.20 124.61 1q9p s ILE 15 Ca 0.03 0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.74 1q9p s ILE 15 Cb -0.13 -0.19 0.00 0.00 -0.00 0.00 0.00 42.46 42.14 1q9p s ILE 15 CO -0.08 0.02 0.00 0.61 -0.00 0.00 0.00 174.94 175.50 1q9p n GLY 16 N 3.39 0.58 0.22 6.27 0.00 -1.26 -1.75 105.19 112.63 1q9p n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1q9p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 17 N -2.00 0.88 3.55 -0.02 0.00 -1.26 -5.02 105.19 101.33 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 -0.90 2.09 -0.10 1.61 -0.21 -0.72 -5.12 119.66 116.32 1q9p s GLN 18 Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 55.36 54.21 1q9p s GLN 18 Cb 0.00 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 1q9p s GLN 18 CO 0.00 0.51 0.35 -0.51 -2.12 0.00 0.00 175.29 173.53 1q9p s LEU 19 N -2.07 4.34 0.15 2.90 1.02 -1.26 -2.42 118.68 121.35 1q9p s LEU 19 Ca 0.20 0.72 -0.07 0.00 0.02 0.00 0.00 54.13 54.99 1q9p s LEU 19 Cb -0.11 -2.48 -0.02 0.00 0.02 0.00 0.00 46.19 43.60 1q9p s LEU 19 CO 0.12 0.18 0.23 -0.54 0.02 0.00 0.00 176.35 176.36 1q9p s LYS 20 N -0.15 1.09 0.08 1.70 1.02 -0.94 -5.04 119.74 117.51 1q9p s LYS 20 Ca 0.21 -1.23 0.08 0.00 0.02 0.00 0.00 55.97 55.04 1q9p s LYS 20 Cb -0.15 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.47 1q9p s LYS 20 CO 0.08 -0.38 -0.17 -1.21 -0.92 0.00 0.00 175.35 172.76 1q9p s GLU 21 N -3.98 1.95 0.02 1.68 2.02 -1.26 -1.48 118.70 117.64 1q9p s GLU 21 Ca 0.19 -1.07 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 1q9p s GLU 21 Cb 0.04 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.10 1q9p s GLU 21 CO 0.00 0.51 0.14 0.00 0.02 0.00 0.00 175.26 175.93 1q9p s ALA 22 N -1.07 -0.29 -0.01 5.21 0.00 -1.26 -4.37 121.76 119.98 1q9p s ALA 22 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1q9p s ALA 22 Cb -0.11 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1q9p s ALA 22 CO 0.09 -0.26 0.12 -0.51 0.00 0.00 0.00 175.76 175.20 1q9p s LEU 23 N -1.65 4.09 0.06 0.00 1.43 -0.50 -4.78 118.68 117.33 1q9p s LEU 23 Ca -0.11 0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 1q9p s LEU 23 Cb -0.05 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.71 1q9p s LEU 23 CO -0.00 0.27 0.59 -0.76 0.23 0.00 0.00 176.35 176.68 1q9p s LEU 24 N -1.79 4.50 -0.34 1.79 1.43 -1.26 -2.22 118.68 120.79 1q9p s LEU 24 Ca 0.24 1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1q9p s LEU 24 Cb -0.12 -2.94 0.13 0.00 0.03 0.00 0.00 46.19 43.29 1q9p s LEU 24 CO 0.15 0.22 0.19 -0.62 0.23 0.00 0.00 176.35 176.52 1q9p s ASP 25 N -0.83 3.13 0.57 2.29 2.15 -0.96 -4.92 116.67 118.10 1q9p s ASP 25 Ca 0.30 -1.95 0.31 0.00 0.43 0.00 0.00 52.55 51.64 1q9p s ASP 25 Cb -0.19 -0.39 1.74 0.00 -0.30 0.00 0.00 42.92 43.77 1q9p s ASP 25 CO 0.19 -0.34 2.19 0.74 -0.17 0.00 0.00 175.17 177.78 1q9p h THR 26 N 5.39 0.46 0.00 1.71 2.02 -1.94 -0.89 112.91 119.67 1q9p h THR 26 Ca -0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1q9p h THR 26 Cb 0.98 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1q9p h THR 26 CO 0.31 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.86 1q9p n GLY 27 N -0.99 -1.11 3.42 2.16 0.00 -1.26 -4.65 105.19 102.75 1q9p n GLY 27 Ca -0.02 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.32 2.48 -0.87 4.61 0.00 -0.34 -5.01 121.76 119.30 1q9p s ALA 28 Ca 0.03 -1.21 0.16 0.00 0.00 0.00 0.00 51.96 50.94 1q9p s ALA 28 Cb 0.08 -0.66 -0.14 0.00 0.00 0.00 0.00 23.12 22.40 1q9p s ALA 28 CO 0.31 0.56 0.70 -0.40 0.00 0.00 0.00 175.76 176.93 1q9p n ASP 29 N 1.67 0.90 -4.86 0.00 5.68 -1.26 -0.47 116.55 118.21 1q9p n ASP 29 Ca -0.16 -0.95 -0.21 0.00 -0.50 0.00 0.00 54.79 52.96 1q9p n ASP 29 Cb 0.52 0.91 -0.04 0.00 -1.14 0.00 0.00 41.12 41.37 1q9p n ASP 29 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1q9p s ASP 30 N -2.38 5.57 -0.07 -1.12 1.01 -1.26 -3.26 116.67 115.15 1q9p s ASP 30 Ca 0.07 -0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.08 1q9p s ASP 30 Cb 0.12 -1.30 0.00 0.00 1.01 0.00 0.00 42.92 42.75 1q9p s ASP 30 CO 0.60 -0.17 -0.17 -0.89 0.21 0.00 0.00 175.17 174.75 1q9p s THR 31 N -2.18 1.52 0.03 -1.27 2.01 -1.26 -1.80 115.64 112.69 1q9p s THR 31 Ca 0.36 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1q9p s THR 31 Cb -0.07 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1q9p s THR 31 CO 0.26 0.44 -0.04 0.68 -0.69 0.00 0.00 174.62 175.27 1q9p s VAL 32 N 0.39 0.24 0.11 3.82 -7.23 -0.96 -3.21 120.40 113.57 1q9p s VAL 32 Ca -0.13 -1.08 0.08 0.00 -1.81 0.00 0.00 61.98 59.04 1q9p s VAL 32 Cb -0.15 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1q9p s VAL 32 CO 0.05 -0.54 -0.19 0.27 -0.31 0.00 0.00 175.10 174.38 1q9p s ILE 33 N -1.77 1.64 0.00 -0.62 -4.36 -1.06 -1.69 121.20 113.33 1q9p s ILE 33 Ca -0.11 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.66 1q9p s ILE 33 Cb -0.08 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 42.07 1q9p s ILE 33 CO -0.02 -0.17 0.41 1.21 0.24 0.00 0.00 174.94 176.62 1q9p n GLU 34 N 0.88 0.00 -3.14 0.37 2.13 -0.24 -1.64 120.64 119.00 1q9p n GLU 34 Ca -0.18 0.25 -0.28 0.00 0.66 0.00 0.00 57.16 57.61 1q9p n GLU 34 Cb 0.55 -1.03 -0.02 0.00 0.27 0.00 0.00 31.44 31.20 1q9p n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1q9p s GLU 35 N -1.34 3.63 0.42 5.31 2.02 -1.26 -3.75 118.70 123.73 1q9p s GLU 35 Ca 0.00 0.08 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 1q9p s GLU 35 Cb 0.00 -2.56 0.09 0.00 0.10 0.00 0.00 34.13 31.76 1q9p s GLU 35 CO 0.00 0.09 0.57 0.00 0.02 0.00 0.00 175.26 175.95 1q9p n MET 36 N -1.32 0.02 0.00 1.61 0.00 -1.26 -4.93 117.12 111.24 1q9p n MET 36 Ca -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 57.70 56.32 1q9p n MET 36 Cb 0.54 -0.44 0.00 0.00 0.00 0.00 0.00 33.22 33.32 1q9p n MET 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1q9p n SER 37 N -3.07 0.00 -3.58 3.17 2.88 -1.26 -5.10 113.62 106.67 1q9p n SER 37 Ca 0.09 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.36 1q9p n SER 37 Cb 0.31 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1q9p n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1q9p n LEU 38 N 0.00 1.43 -4.53 2.46 4.32 -1.26 -4.16 117.00 115.27 1q9p n LEU 38 Ca 0.00 -4.85 -0.36 0.00 -0.02 0.00 0.00 56.01 50.78 1q9p n LEU 38 Cb 0.00 -0.09 0.08 0.00 -1.62 0.00 0.00 43.42 41.79 1q9p n LEU 38 CO 0.00 1.86 0.27 -2.65 -1.22 0.00 0.00 177.39 175.65 1q9p n PRO 39 N 2.12 0.39 0.00 3.23 -0.02 -1.26 -4.66 135.00 134.80 1q9p n PRO 39 Ca 0.25 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1q9p n PRO 39 Cb 0.43 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.40 0.12 3.49 -1.23 0.00 -1.26 -5.03 105.19 102.68 1q9p n GLY 40 Ca 0.11 -1.39 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 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 1.79 0.11 1.61 0.52 -1.26 -5.14 118.95 116.57 1q9p s ARG 41 Ca 0.00 -1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1q9p s ARG 41 Cb 0.00 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 1q9p s ARG 41 CO 0.00 0.46 0.02 1.67 0.02 0.00 0.00 175.30 177.47 1q9p s TRP 42 N -1.30 0.80 -0.17 -0.53 1.48 -1.26 -4.99 118.94 112.97 1q9p s TRP 42 Ca 0.19 -1.14 -0.01 0.00 -1.06 0.00 0.00 56.10 54.08 1q9p s TRP 42 Cb -0.10 -0.48 -0.01 0.00 -1.16 0.00 0.00 33.47 31.72 1q9p s TRP 42 CO 0.11 -0.42 -0.11 0.15 -4.06 0.00 0.00 176.95 172.62 1q9p s LYS 43 N -3.98 3.31 0.24 3.25 -0.14 -0.96 -4.98 119.74 116.48 1q9p s LYS 43 Ca 0.18 -0.69 -0.30 0.00 -1.36 0.00 0.00 55.97 53.81 1q9p s LYS 43 Cb 0.07 -2.75 -0.09 0.00 -1.68 0.00 0.00 37.83 33.38 1q9p s LYS 43 CO -0.02 -0.00 1.17 -1.25 -0.76 0.00 0.00 175.35 174.49 1q9p s PRO 44 N 0.91 4.54 0.00 -1.68 0.04 -1.26 -2.22 135.00 135.33 1q9p s PRO 44 Ca -0.03 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1q9p s PRO 44 Cb -0.15 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1q9p s PRO 44 CO -0.00 0.02 0.00 0.21 0.04 0.00 0.00 177.00 177.27 1q9p s LYS 45 N -0.90 0.15 -0.48 4.56 2.20 -0.36 -4.97 119.74 119.94 1q9p s LYS 45 Ca 0.49 -0.23 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 1q9p s LYS 45 Cb -0.33 0.05 0.12 0.00 -1.51 0.00 0.00 37.83 36.17 1q9p s LYS 45 CO 0.40 -0.02 0.35 -1.64 -0.36 0.00 0.00 175.35 174.08 1q9p s MET 46 N -0.59 2.47 0.27 4.03 -1.94 -1.26 -0.85 119.30 121.43 1q9p s MET 46 Ca -0.07 -1.80 -0.10 0.00 -1.71 0.00 0.00 55.69 52.01 1q9p s MET 46 Cb -0.04 -3.91 -0.07 0.00 2.01 0.00 0.00 34.83 32.81 1q9p s MET 46 CO -0.00 -1.19 0.61 0.42 -0.01 0.00 0.00 175.02 174.85 1q9p s ILE 47 N 1.29 4.87 0.00 2.53 -1.09 -0.91 -4.90 121.20 122.99 1q9p s ILE 47 Ca 0.06 0.55 0.05 0.00 -2.23 0.00 0.00 60.65 59.09 1q9p s ILE 47 Cb -0.26 -3.64 0.09 0.00 -1.58 0.00 0.00 42.46 37.07 1q9p s ILE 47 CO -0.01 -0.16 0.95 0.61 -1.23 0.00 0.00 174.94 175.10 1q9p n GLY 48 N -0.36 0.69 0.16 6.18 0.00 -1.26 -1.83 105.19 108.77 1q9p n GLY 48 Ca 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1q9p n GLY 48 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q9p h GLY 49 N 0.20 0.52 1.01 -0.02 0.00 -1.94 -3.15 103.07 99.69 1q9p h GLY 49 Ca -0.37 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.56 1q9p h GLY 49 CO -0.14 0.36 0.47 -2.22 0.00 0.00 0.00 176.54 175.01 1q9p h ILE 50 N 0.25 1.23 0.00 2.60 2.04 -2.05 -3.47 117.51 118.11 1q9p h ILE 50 Ca 0.07 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1q9p h ILE 50 Cb 0.45 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1q9p h ILE 50 CO 0.02 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1q9p n GLY 51 N -1.16 -0.63 3.84 5.37 0.00 -1.19 -5.14 105.19 106.28 1q9p n GLY 51 Ca 0.08 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 1q9p n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q9p s GLY 52 N 0.00 1.60 -0.21 -0.02 0.00 -1.26 -4.90 107.32 102.53 1q9p s GLY 52 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 1q9p s GLY 52 CO 0.00 -0.00 0.01 -1.36 0.00 0.00 0.00 173.10 171.74 1q9p s PHE 53 N -3.37 3.04 0.09 1.90 0.08 -1.26 -4.18 117.98 114.28 1q9p s PHE 53 Ca 0.62 -0.47 0.04 0.00 0.12 0.00 0.00 56.93 57.24 1q9p s PHE 53 Cb -0.13 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 1q9p s PHE 53 CO 0.52 -0.26 -0.12 0.96 -0.10 0.00 0.00 175.22 176.22 1q9p s ILE 54 N 1.07 1.01 -0.13 0.64 -0.00 -0.76 -4.99 121.20 118.03 1q9p s ILE 54 Ca 0.02 -1.50 -0.21 0.00 -0.00 0.00 0.00 60.65 58.97 1q9p s ILE 54 Cb -0.14 -1.22 -0.03 0.00 -0.00 0.00 0.00 42.46 41.06 1q9p s ILE 54 CO 0.02 -0.42 0.62 -0.54 -0.00 0.00 0.00 174.94 174.61 1q9p s LYS 55 N -2.34 4.33 0.27 0.37 1.02 -1.26 -2.13 119.74 120.00 1q9p s LYS 55 Ca 0.02 0.67 0.03 0.00 0.02 0.00 0.00 55.97 56.72 1q9p s LYS 55 Cb -0.06 -3.49 -0.06 0.00 -0.52 0.00 0.00 37.83 33.70 1q9p s LYS 55 CO 0.01 -0.02 0.03 0.14 -0.92 0.00 0.00 175.35 174.59 1q9p s VAL 56 N 1.16 1.04 -0.06 3.17 -7.23 -0.03 -4.98 120.40 113.47 1q9p s VAL 56 Ca 0.31 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1q9p s VAL 56 Cb -0.16 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1q9p s VAL 56 CO 0.13 -0.17 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.50 1q9p s ARG 57 N -3.89 2.61 0.06 4.82 0.52 -0.80 -1.23 118.95 121.03 1q9p s ARG 57 Ca 0.33 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 1q9p s ARG 57 Cb 0.07 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 1q9p s ARG 57 CO 0.12 0.62 -0.05 1.14 0.02 0.00 0.00 175.30 177.15 1q9p s GLN 58 N -0.71 0.59 -0.12 3.54 -2.07 -0.94 0.80 119.66 120.76 1q9p s GLN 58 Ca 0.11 -1.03 0.03 0.00 -1.82 0.00 0.00 55.36 52.65 1q9p s GLN 58 Cb -0.11 -0.02 0.00 0.00 -1.09 0.00 0.00 33.01 31.79 1q9p s GLN 58 CO 0.01 -0.04 -0.22 0.71 -1.32 0.00 0.00 175.29 174.43 1q9p s TYR 59 N -2.81 2.63 -2.63 9.60 1.51 -1.09 -2.28 117.35 122.27 1q9p s TYR 59 Ca 0.00 -1.15 0.24 0.00 -1.01 0.00 0.00 57.07 55.15 1q9p s TYR 59 Cb -0.00 -1.77 0.36 0.00 -0.11 0.00 0.00 41.96 40.45 1q9p s TYR 59 CO -0.05 -0.49 1.37 -0.25 -1.11 0.00 0.00 175.55 175.02 1q9p n ASP 60 N 3.77 3.35 -2.90 2.29 8.00 -1.26 -1.34 116.55 128.46 1q9p n ASP 60 Ca -0.19 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.18 1q9p n ASP 60 Cb 0.52 -0.18 0.03 0.00 -0.02 0.00 0.00 41.12 41.47 1q9p n ASP 60 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1q9p n GLN 61 N 1.47 0.91 -4.39 -1.24 -0.06 -1.26 -4.56 117.38 108.25 1q9p n GLN 61 Ca 0.18 -2.37 -0.26 0.00 -2.00 0.00 0.00 57.00 52.55 1q9p n GLN 61 Cb 0.61 -1.31 -0.12 0.00 -4.06 0.00 0.00 30.24 25.36 1q9p n GLN 61 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1q9p s ILE 62 N -0.41 2.17 -0.11 1.69 1.10 -1.25 -5.01 121.20 119.38 1q9p s ILE 62 Ca 0.30 -1.92 -0.01 0.00 -0.51 0.00 0.00 60.65 58.51 1q9p s ILE 62 Cb 0.27 -1.99 -0.03 0.00 0.15 0.00 0.00 42.46 40.86 1q9p s ILE 62 CO -0.11 -0.11 -0.07 -0.51 -2.11 0.00 0.00 174.94 172.02 1q9p s ILE 63 N -1.59 3.65 0.02 2.00 2.07 -1.26 -2.41 121.20 123.68 1q9p s ILE 63 Ca 0.17 -0.47 0.07 0.00 -1.41 0.00 0.00 60.65 59.02 1q9p s ILE 63 Cb -0.08 -2.54 -0.02 0.00 0.13 0.00 0.00 42.46 39.95 1q9p s ILE 63 CO 0.08 0.55 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.81 1q9p s ILE 64 N -0.16 1.74 -0.19 2.00 1.01 -0.04 -4.82 121.20 120.75 1q9p s ILE 64 Ca 0.02 -1.14 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 1q9p s ILE 64 Cb -0.13 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1q9p s ILE 64 CO 0.03 0.32 0.03 -0.70 0.00 0.00 0.00 174.94 174.62 1q9p s GLU 65 N -0.97 3.80 -0.14 2.79 2.12 -1.06 -2.01 118.70 123.23 1q9p s GLU 65 Ca 0.08 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.98 1q9p s GLU 65 Cb -0.09 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.17 1q9p s GLU 65 CO 0.01 0.14 -0.12 0.42 -0.54 0.00 0.00 175.26 175.17 1q9p s ILE 66 N 0.70 1.39 0.00 -3.70 1.01 -0.59 -2.03 121.20 117.98 1q9p s ILE 66 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.15 1q9p s ILE 66 Cb -0.14 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1q9p s ILE 66 CO 0.02 0.43 0.00 0.00 0.00 0.00 0.00 174.94 175.39 1q9p n ALA 67 N 4.81 0.00 -0.84 9.38 0.00 -1.25 -0.88 120.51 131.72 1q9p n ALA 67 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1q9p n ALA 67 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.18 3.23 0.00 0.00 -1.26 -5.13 105.19 102.21 1q9p n GLY 68 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.98 -0.05 1.61 3.76 -0.06 -5.13 115.29 117.40 1q9p s HIS 69 Ca 0.00 -0.43 -0.10 0.00 -0.15 0.00 0.00 55.06 54.38 1q9p s HIS 69 Cb 0.00 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 1q9p s HIS 69 CO 0.00 -0.07 0.28 0.15 -0.85 0.00 0.00 174.74 174.24 1q9p s LYS 70 N -0.40 3.67 -0.03 1.40 1.02 -1.26 -1.54 119.74 122.60 1q9p s LYS 70 Ca 0.05 0.12 -0.13 0.00 0.02 0.00 0.00 55.97 56.03 1q9p s LYS 70 Cb -0.09 -3.19 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1q9p s LYS 70 CO 0.00 0.73 0.29 0.00 -0.92 0.00 0.00 175.35 175.44 1q9p s ALA 71 N -1.08 -0.72 -0.09 5.17 0.00 -0.85 -5.01 121.76 119.17 1q9p s ALA 71 Ca 0.20 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1q9p s ALA 71 Cb -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1q9p s ALA 71 CO 0.09 -0.24 -0.23 0.42 0.00 0.00 0.00 175.76 175.80 1q9p s ILE 72 N -1.14 1.97 0.15 0.00 1.01 -1.26 -0.86 121.20 121.08 1q9p s ILE 72 Ca -0.12 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.31 1q9p s ILE 72 Cb -0.05 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.79 1q9p s ILE 72 CO 0.03 0.54 1.05 -0.83 0.00 0.00 0.00 174.94 175.74 1q9p s GLY 73 N 0.27 -0.04 0.10 6.18 0.00 -1.01 -4.99 107.32 107.82 1q9p s GLY 73 Ca -0.16 -0.11 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 1q9p s GLY 73 CO 0.08 1.72 1.06 -1.59 0.00 0.00 0.00 173.10 174.37 1q9p s THR 74 N -2.49 4.28 -0.27 0.90 2.01 -1.26 -3.78 115.64 115.03 1q9p s THR 74 Ca 0.19 1.79 -0.03 0.00 0.31 0.00 0.00 61.69 63.94 1q9p s THR 74 Cb -0.02 -4.14 0.09 0.00 0.01 0.00 0.00 72.50 68.44 1q9p s THR 74 CO 0.03 0.22 0.10 -0.69 -0.69 0.00 0.00 174.62 173.60 1q9p s VAL 75 N 0.39 0.27 0.14 3.82 1.01 -0.45 -4.78 120.40 120.80 1q9p s VAL 75 Ca 0.52 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1q9p s VAL 75 Cb -0.26 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 1q9p s VAL 75 CO 0.31 -0.58 1.19 -0.76 0.00 0.00 0.00 175.10 175.26 1q9p s LEU 76 N 1.94 4.43 -0.15 3.92 1.02 -1.20 -2.68 118.68 125.96 1q9p s LEU 76 Ca 0.07 2.15 -0.03 0.00 0.02 0.00 0.00 54.13 56.34 1q9p s LEU 76 Cb -0.16 -3.60 -0.02 0.00 0.02 0.00 0.00 46.19 42.43 1q9p s LEU 76 CO -0.26 -0.39 -0.06 -0.69 0.02 0.00 0.00 176.35 174.97 1q9p s VAL 77 N 0.31 3.62 0.26 -1.59 1.01 0.24 -2.57 120.40 121.68 1q9p s VAL 77 Ca 0.55 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 1q9p s VAL 77 Cb -0.31 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1q9p s VAL 77 CO 0.34 0.49 0.55 -0.83 0.00 0.00 0.00 175.10 175.65 1q9p s GLY 78 N 0.46 0.34 0.00 4.51 0.00 -0.65 -1.91 107.32 110.06 1q9p s GLY 78 Ca -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1q9p s GLY 78 CO 0.03 -0.46 0.27 -1.55 0.00 0.00 0.00 173.10 171.40 1q9p n PRO 79 N -0.40 0.54 -1.76 2.90 -0.04 -1.25 -3.55 135.00 131.44 1q9p n PRO 79 Ca -0.02 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.09 1q9p n PRO 79 Cb 0.61 -1.27 0.06 0.00 -0.04 0.00 0.00 33.50 32.86 1q9p n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1q9p s THR 80 N -0.99 2.65 0.35 0.52 -1.32 -1.26 -4.93 115.64 110.66 1q9p s THR 80 Ca 0.00 0.35 -0.28 0.00 -1.21 0.00 0.00 61.69 60.55 1q9p s THR 80 Cb 0.00 -2.99 -0.12 0.00 -1.51 0.00 0.00 72.50 67.88 1q9p s THR 80 CO 0.00 -0.14 1.30 -0.81 -2.21 0.00 0.00 174.62 172.76 1q9p n PRO 81 N -2.16 2.15 0.00 7.08 -0.04 -1.26 -3.49 135.00 137.28 1q9p n PRO 81 Ca 0.13 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1q9p n PRO 81 Cb 0.50 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1q9p n PRO 81 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1q9p n VAL 82 N 0.32 0.00 -4.89 0.52 0.31 -1.26 -4.56 118.33 108.77 1q9p n VAL 82 Ca 0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.12 1q9p n VAL 82 Cb 0.36 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.99 2.19 -0.02 4.52 0.01 -1.26 -1.08 114.94 117.31 1q9p s ASN 83 Ca 0.00 -0.34 0.05 0.00 -0.71 0.00 0.00 52.86 51.85 1q9p s ASN 83 Cb 0.00 -0.36 -0.01 0.00 0.41 0.00 0.00 41.25 41.29 1q9p s ASN 83 CO 0.00 0.21 -0.16 -0.51 -1.51 0.00 0.00 177.10 175.13 1q9p s ILE 84 N -0.29 1.27 -0.12 0.60 2.07 -0.68 -1.41 121.20 122.63 1q9p s ILE 84 Ca 0.04 -0.67 -0.00 0.00 -1.41 0.00 0.00 60.65 58.60 1q9p s ILE 84 Cb -0.09 -1.06 -0.02 0.00 0.13 0.00 0.00 42.46 41.42 1q9p s ILE 84 CO 0.00 0.36 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.65 1q9p s ILE 85 N -0.28 3.20 0.75 2.00 1.01 -0.94 -2.26 121.20 124.69 1q9p s ILE 85 Ca 0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1q9p s ILE 85 Cb -0.07 -2.34 0.15 0.00 0.01 0.00 0.00 42.46 40.21 1q9p s ILE 85 CO -0.00 0.53 1.03 0.61 0.00 0.00 0.00 174.94 177.11 1q9p n GLY 86 N 3.30 0.37 0.27 6.18 0.00 -0.74 -2.27 105.19 112.30 1q9p n GLY 86 Ca -0.18 -1.99 0.19 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.36 1.61 3.08 -0.89 -2.62 114.38 115.21 1q9p h ARG 87 Ca -0.34 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.76 1q9p h ARG 87 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.21 1q9p h ARG 87 CO 0.34 0.00 0.09 -0.97 -1.07 0.00 0.00 179.97 178.36 1q9p h ASN 88 N 0.00 0.04 0.07 7.04 -0.73 -1.83 -1.39 115.58 118.79 1q9p h ASN 88 Ca 0.00 0.05 -0.35 0.00 1.87 0.00 0.00 56.30 57.87 1q9p h ASN 88 Cb 0.10 0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.72 1q9p h ASN 88 CO 0.00 0.06 -1.97 0.18 -0.37 0.00 0.00 177.43 175.33 1q9p n LEU 89 N -5.07 2.49 -0.34 0.34 4.77 -1.10 -3.51 117.00 114.57 1q9p n LEU 89 Ca 0.01 0.20 0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1q9p n LEU 89 Cb 0.15 -1.03 0.25 0.00 -2.33 0.00 0.00 43.42 40.45 1q9p n LEU 89 CO 0.25 0.73 1.19 0.25 -1.33 0.00 0.00 177.39 178.48 1q9p h LEU 90 N -0.24 0.78 -0.21 2.23 6.46 -1.52 -0.10 115.31 122.72 1q9p h LEU 90 Ca -0.46 0.07 -0.16 0.00 -0.12 0.00 0.00 57.88 57.22 1q9p h LEU 90 Cb 1.83 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.66 1q9p h LEU 90 CO -0.04 0.37 -0.75 0.71 -0.62 0.00 0.00 178.44 178.12 1q9p h THR 91 N 0.84 1.36 -0.41 1.05 1.35 -1.44 -3.25 112.91 112.41 1q9p h THR 91 Ca 0.50 -2.72 -0.01 0.00 -0.55 0.00 0.00 66.41 63.63 1q9p h THR 91 Cb 0.60 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 1q9p h THR 91 CO -0.31 0.73 0.24 -0.61 -0.25 0.00 0.00 175.52 175.32 1q9p h GLN 92 N 0.00 0.57 0.00 4.72 4.15 -1.07 -2.37 115.11 121.11 1q9p h GLN 92 Ca -0.01 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.30 1q9p h GLN 92 Cb 1.48 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 1q9p h GLN 92 CO 0.10 0.44 -0.27 0.97 -1.93 0.00 0.00 178.83 178.14 1q9p h ILE 93 N 0.54 1.07 -3.73 2.39 2.10 -1.48 -3.44 117.51 114.96 1q9p h ILE 93 Ca 0.15 -0.97 -0.27 0.00 1.08 0.00 0.00 64.86 64.85 1q9p h ILE 93 Cb 0.03 1.54 0.09 0.00 -1.09 0.00 0.00 36.82 37.39 1q9p h ILE 93 CO -0.03 0.26 0.19 0.61 -1.08 0.00 0.00 178.15 178.11 1q9p n GLY 94 N -0.62 -0.57 3.91 8.18 0.00 -0.89 -5.15 105.19 110.05 1q9p n GLY 94 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32