#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq9 s GLN 2 N 0.00 4.39 -0.30 0.54 0.74 -1.26 -5.04 119.66 118.73 1rq9 s GLN 2 Ca 0.00 0.85 0.03 0.00 0.05 0.00 0.00 55.36 56.29 1rq9 s GLN 2 Cb 0.00 -3.37 0.08 0.00 1.10 0.00 0.00 33.01 30.82 1rq9 s GLN 2 CO 0.00 0.29 -0.03 0.42 -0.55 0.00 0.00 175.29 175.42 1rq9 s ILE 3 N 0.01 2.21 1.19 -2.34 1.01 -1.26 -5.11 121.20 116.91 1rq9 s ILE 3 Ca 0.34 -1.97 -0.13 0.00 0.00 0.00 0.00 60.65 58.89 1rq9 s ILE 3 Cb -0.19 -2.47 0.30 0.00 0.01 0.00 0.00 42.46 40.11 1rq9 s ILE 3 CO 0.19 -0.31 1.02 0.42 0.00 0.00 0.00 174.94 176.26 1rq9 s THR 4 N 1.01 2.00 -0.23 2.92 -4.23 -1.26 -4.96 115.64 110.90 1rq9 s THR 4 Ca 0.01 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.63 1rq9 s THR 4 Cb -0.19 -2.03 0.44 0.00 1.34 0.00 0.00 72.50 72.05 1rq9 s THR 4 CO -0.07 -0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.39 1rq9 n LEU 5 N -5.00 3.42 0.12 4.79 4.77 -1.26 -4.63 117.00 119.21 1rq9 n LEU 5 Ca 0.03 -4.08 0.13 0.00 -0.03 0.00 0.00 56.01 52.05 1rq9 n LEU 5 Cb 0.54 -0.37 0.45 0.00 -2.33 0.00 0.00 43.42 41.71 1rq9 n LEU 5 CO 0.58 1.61 0.88 0.79 -1.33 0.00 0.00 177.39 179.91 1rq9 n TRP 6 N -0.83 0.91 -4.36 -1.77 7.02 -1.26 -4.78 117.44 112.36 1rq9 n TRP 6 Ca 0.27 0.30 -0.18 0.00 -1.02 0.00 0.00 57.50 56.88 1rq9 n TRP 6 Cb 0.83 -0.99 -0.10 0.00 -2.42 0.00 0.00 31.31 28.63 1rq9 n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1rq9 s GLN 7 N -3.21 1.48 0.01 -0.99 1.11 -1.26 -5.11 119.66 111.69 1rq9 s GLN 7 Ca 0.08 -1.80 -0.30 0.00 0.01 0.00 0.00 55.36 53.34 1rq9 s GLN 7 Cb 0.11 -0.53 -0.07 0.00 -1.01 0.00 0.00 33.01 31.51 1rq9 s GLN 7 CO 0.51 -0.22 1.56 1.03 0.01 0.00 0.00 175.29 178.17 1rq9 s ARG 8 N -3.95 4.22 -0.63 2.91 0.52 -1.26 -4.89 118.95 115.87 1rq9 s ARG 8 Ca 0.36 2.16 -0.25 0.00 -0.52 0.00 0.00 55.73 57.48 1rq9 s ARG 8 Cb 0.08 -3.67 -0.21 0.00 0.52 0.00 0.00 34.95 31.66 1rq9 s ARG 8 CO 0.13 -0.70 1.85 -0.35 0.02 0.00 0.00 175.30 176.25 1rq9 n PRO 9 N 5.85 1.02 -3.42 3.54 -0.04 -1.26 -4.89 135.00 135.80 1rq9 n PRO 9 Ca 0.15 -1.69 -0.44 0.00 -0.04 0.00 0.00 63.50 61.48 1rq9 n PRO 9 Cb 0.42 -2.98 -0.07 0.00 -0.04 0.00 0.00 33.50 30.83 1rq9 n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rq9 s ILE 10 N 7.15 4.93 0.43 0.52 1.01 -1.26 0.95 121.20 134.93 1rq9 s ILE 10 Ca 0.64 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 60.02 1rq9 s ILE 10 Cb 0.11 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 1rq9 s ILE 10 CO 0.19 -0.68 0.42 0.68 0.00 0.00 0.00 174.94 175.55 1rq9 s VAL 11 N 1.56 2.67 -0.14 2.92 -7.23 0.55 -4.79 120.40 115.93 1rq9 s VAL 11 Ca 0.04 -1.29 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1rq9 s VAL 11 Cb -0.26 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.69 1rq9 s VAL 11 CO 0.04 0.00 0.12 -0.89 -0.31 0.00 0.00 175.10 174.06 1rq9 s THR 12 N -2.47 5.35 0.24 5.32 2.01 -1.26 -0.43 115.64 124.39 1rq9 s THR 12 Ca 0.49 0.15 0.10 0.00 0.31 0.00 0.00 61.69 62.74 1rq9 s THR 12 Cb -0.04 -3.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 1rq9 s THR 12 CO 0.29 0.56 -0.17 0.27 -0.69 0.00 0.00 174.62 174.88 1rq9 s ILE 13 N -0.55 2.08 -0.29 1.82 -5.25 -0.62 -3.13 121.20 115.27 1rq9 s ILE 13 Ca 0.12 -2.30 -0.00 0.00 -0.99 0.00 0.00 60.65 57.47 1rq9 s ILE 13 Cb -0.12 -2.17 0.05 0.00 2.95 0.00 0.00 42.46 43.17 1rq9 s ILE 13 CO 0.02 -0.50 -0.03 -0.75 -1.79 0.00 0.00 174.94 171.89 1rq9 s LYS 14 N -3.58 2.40 0.04 0.37 2.20 -0.61 -2.22 119.74 118.33 1rq9 s LYS 14 Ca 0.26 -1.28 0.05 0.00 -0.36 0.00 0.00 55.97 54.65 1rq9 s LYS 14 Cb -0.03 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1rq9 s LYS 14 CO 0.11 -0.60 -0.16 -1.50 -0.36 0.00 0.00 175.35 172.84 1rq9 s ILE 15 N 1.21 1.25 -0.83 5.43 2.07 0.01 -2.76 121.20 127.59 1rq9 s ILE 15 Ca -0.06 -1.06 0.00 0.00 -1.41 0.00 0.00 60.65 58.11 1rq9 s ILE 15 Cb -0.20 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.27 1rq9 s ILE 15 CO -0.02 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1rq9 n GLY 16 N 1.85 0.26 1.35 1.50 0.00 -1.26 0.11 105.19 109.00 1rq9 n GLY 16 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1rq9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq9 n GLY 17 N -0.39 3.00 3.96 -0.02 0.00 -1.26 -5.01 105.19 105.47 1rq9 n GLY 17 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1rq9 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rq9 s GLN 18 N -0.65 2.95 -0.18 1.61 -0.21 0.29 -5.10 119.66 118.38 1rq9 s GLN 18 Ca 0.00 -0.66 -0.01 0.00 0.02 0.00 0.00 55.36 54.71 1rq9 s GLN 18 Cb 0.00 -2.59 -0.00 0.00 1.00 0.00 0.00 33.01 31.42 1rq9 s GLN 18 CO 0.00 -0.31 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.23 1rq9 s LEU 19 N -4.53 2.61 0.25 2.90 1.43 -1.26 -0.81 118.68 119.27 1rq9 s LEU 19 Ca 0.50 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1rq9 s LEU 19 Cb -0.10 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1rq9 s LEU 19 CO 0.37 0.04 0.15 -0.54 0.23 0.00 0.00 176.35 176.60 1rq9 s LYS 20 N 1.07 1.40 0.27 1.70 1.02 -0.94 -5.02 119.74 119.24 1rq9 s LYS 20 Ca -0.00 -1.77 0.03 0.00 0.02 0.00 0.00 55.97 54.25 1rq9 s LYS 20 Cb -0.15 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 1rq9 s LYS 20 CO -0.03 -0.42 0.43 -2.00 -0.92 0.00 0.00 175.35 172.42 1rq9 s GLU 21 N -3.97 3.47 -0.28 1.68 2.56 -1.26 -1.58 118.70 119.31 1rq9 s GLU 21 Ca 0.38 -0.55 -0.21 0.00 0.00 0.00 0.00 54.97 54.59 1rq9 s GLU 21 Cb 0.06 -2.80 0.08 0.00 2.00 0.00 0.00 34.13 33.47 1rq9 s GLU 21 CO 0.15 0.33 0.76 0.00 -0.56 0.00 0.00 175.26 175.94 1rq9 s ALA 22 N -2.09 -1.87 -0.08 6.30 0.00 0.42 -4.56 121.76 119.89 1rq9 s ALA 22 Ca 0.37 2.16 -0.24 0.00 0.00 0.00 0.00 51.96 54.25 1rq9 s ALA 22 Cb -0.09 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1rq9 s ALA 22 CO 0.32 -0.34 0.72 -1.17 0.00 0.00 0.00 175.76 175.29 1rq9 s LEU 23 N 0.85 4.29 -1.34 0.00 2.96 -1.03 -0.33 118.68 124.09 1rq9 s LEU 23 Ca -0.04 1.19 -0.16 0.00 -0.22 0.00 0.00 54.13 54.90 1rq9 s LEU 23 Cb -0.05 -3.11 0.03 0.00 0.50 0.00 0.00 46.19 43.56 1rq9 s LEU 23 CO -0.08 -0.16 2.04 0.18 -1.32 0.00 0.00 176.35 177.00 1rq9 n LEU 24 N 4.02 5.87 -4.59 -0.68 4.77 0.27 -1.56 117.00 125.10 1rq9 n LEU 24 Ca -0.00 -3.93 -0.42 0.00 -0.03 0.00 0.00 56.01 51.63 1rq9 n LEU 24 Cb 0.51 -1.65 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1rq9 n LEU 24 CO 0.47 0.56 1.07 0.21 -1.33 0.00 0.00 177.39 178.37 1rq9 s ASN 25 N 3.81 6.50 0.33 -1.43 3.84 -0.99 -4.89 114.94 122.12 1rq9 s ASN 25 Ca 0.51 0.22 0.24 0.00 0.21 0.00 0.00 52.86 54.03 1rq9 s ASN 25 Cb 0.10 -2.55 0.37 0.00 -0.55 0.00 0.00 41.25 38.62 1rq9 s ASN 25 CO -0.01 -1.41 1.52 0.71 -2.79 0.00 0.00 177.10 175.12 1rq9 h THR 26 N 6.18 0.00 -0.29 -5.21 1.35 -1.91 -3.16 112.91 109.88 1rq9 h THR 26 Ca -0.24 -0.85 -0.11 0.00 -0.55 0.00 0.00 66.41 64.65 1rq9 h THR 26 Cb 1.06 1.73 -0.06 0.00 -1.73 0.00 0.00 68.15 69.14 1rq9 h THR 26 CO 1.17 0.00 0.14 0.61 -0.25 0.00 0.00 175.52 177.19 1rq9 n GLY 27 N 1.18 2.52 3.08 5.82 0.00 -1.26 -4.69 105.19 111.83 1rq9 n GLY 27 Ca 0.04 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1rq9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rq9 s ALA 28 N -1.32 1.72 -0.01 4.61 0.00 -1.19 -5.02 121.76 120.55 1rq9 s ALA 28 Ca 0.19 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 1rq9 s ALA 28 Cb 0.16 -0.79 -0.23 0.00 0.00 0.00 0.00 23.12 22.25 1rq9 s ALA 28 CO 0.04 0.01 1.09 0.22 0.00 0.00 0.00 175.76 177.13 1rq9 h ASP 29 N 7.23 0.45 -1.35 0.00 -0.00 -1.88 0.19 116.42 121.07 1rq9 h ASP 29 Ca -0.29 -0.75 -0.52 0.00 -0.00 0.00 0.00 57.03 55.47 1rq9 h ASP 29 Cb 1.19 -0.14 -0.04 0.00 -0.00 0.00 0.00 39.33 40.34 1rq9 h ASP 29 CO 0.49 1.14 -0.37 -1.81 -0.00 0.00 0.00 179.24 178.69 1rq9 s ASP 30 N -6.61 4.90 -0.23 2.28 1.01 -1.26 -2.94 116.67 113.81 1rq9 s ASP 30 Ca -0.14 -0.88 -0.04 0.00 0.71 0.00 0.00 52.55 52.21 1rq9 s ASP 30 Cb 0.03 -0.37 -0.00 0.00 1.01 0.00 0.00 42.92 43.59 1rq9 s ASP 30 CO 0.80 -0.74 -0.04 -0.89 0.21 0.00 0.00 175.17 174.51 1rq9 s THR 31 N -2.55 3.31 -0.12 -1.27 2.01 -1.26 -3.09 115.64 112.67 1rq9 s THR 31 Ca 0.45 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.87 1rq9 s THR 31 Cb -0.02 -2.55 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 1rq9 s THR 31 CO 0.26 0.36 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.66 1rq9 s VAL 32 N 1.45 2.35 0.02 3.82 1.01 -0.93 -0.70 120.40 127.43 1rq9 s VAL 32 Ca 0.05 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1rq9 s VAL 32 Cb -0.15 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1rq9 s VAL 32 CO -0.03 0.55 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 1rq9 s LEU 33 N 0.43 2.57 0.20 3.92 2.01 -0.51 -1.28 118.68 126.02 1rq9 s LEU 33 Ca -0.15 -0.40 -0.32 0.00 0.01 0.00 0.00 54.13 53.28 1rq9 s LEU 33 Cb -0.17 -1.50 -0.12 0.00 0.01 0.00 0.00 46.19 44.41 1rq9 s LEU 33 CO 0.06 0.28 1.73 -1.61 1.01 0.00 0.00 176.35 177.82 1rq9 s GLU 34 N -1.24 4.13 0.00 1.70 2.02 -1.25 -1.96 118.70 122.09 1rq9 s GLU 34 Ca 0.14 2.61 0.00 0.00 0.02 0.00 0.00 54.97 57.73 1rq9 s GLU 34 Cb -0.10 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1rq9 s GLU 34 CO 0.04 -0.76 0.00 0.39 0.02 0.00 0.00 175.26 174.95 1rq9 n GLU 35 N 4.14 0.00 -1.35 1.61 4.71 -1.00 -4.84 120.64 123.91 1rq9 n GLU 35 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1rq9 n GLU 35 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.78 1rq9 n GLU 35 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1rq9 n VAL 36 N 0.00 0.00 -2.80 2.62 0.24 -1.26 -5.02 118.33 112.10 1rq9 n VAL 36 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 1rq9 n VAL 36 Cb 0.00 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.42 1rq9 n VAL 36 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1rq9 n ASN 37 N -1.96 1.59 -4.54 -1.34 5.15 -1.26 -5.06 115.26 107.85 1rq9 n ASN 37 Ca 0.00 -2.15 -0.44 0.00 -0.60 0.00 0.00 54.58 51.39 1rq9 n ASN 37 Cb 0.00 -0.49 -0.01 0.00 -0.53 0.00 0.00 39.78 38.75 1rq9 n ASN 37 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rq9 n LEU 38 N -0.52 1.11 0.00 1.20 4.77 -1.26 -4.97 117.00 117.33 1rq9 n LEU 38 Ca 0.08 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 1rq9 n LEU 38 Cb 0.80 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1rq9 n LEU 38 CO 0.11 -1.92 0.00 -0.81 -1.33 0.00 0.00 177.39 173.43 1rq9 n PRO 39 N 0.66 1.66 -1.48 3.23 -0.04 -1.26 -4.95 135.00 132.82 1rq9 n PRO 39 Ca 0.11 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.76 1rq9 n PRO 39 Cb 0.33 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.72 1rq9 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rq9 n GLY 40 N 3.40 -2.80 3.32 0.55 0.00 -1.26 -4.89 105.19 103.52 1rq9 n GLY 40 Ca 0.00 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 1rq9 n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1rq9 n ARG 41 N -4.37 -1.35 -3.81 1.61 1.85 -1.26 -5.09 116.66 104.24 1rq9 n ARG 41 Ca -0.05 -1.76 -0.05 0.00 -1.00 0.00 0.00 57.85 54.99 1rq9 n ARG 41 Cb 0.69 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.88 1rq9 n ARG 41 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 1rq9 s TRP 42 N -3.44 -0.04 0.06 2.89 1.48 -1.26 -4.68 118.94 113.96 1rq9 s TRP 42 Ca 0.65 -0.38 0.04 0.00 -1.06 0.00 0.00 56.10 55.35 1rq9 s TRP 42 Cb -0.02 0.70 -0.03 0.00 -1.16 0.00 0.00 33.47 32.96 1rq9 s TRP 42 CO 0.46 -1.04 -0.11 0.15 -4.06 0.00 0.00 176.95 172.35 1rq9 s LYS 43 N -2.90 0.68 -0.05 3.25 1.02 -0.05 -4.91 119.74 116.77 1rq9 s LYS 43 Ca 0.15 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.02 1rq9 s LYS 43 Cb -0.03 -0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 36.67 1rq9 s LYS 43 CO 0.05 0.12 0.81 -1.25 -0.92 0.00 0.00 175.35 174.16 1rq9 s PRO 44 N -1.66 4.47 0.08 -1.68 0.04 -1.26 0.11 135.00 135.10 1rq9 s PRO 44 Ca -0.06 1.08 0.04 0.00 0.04 0.00 0.00 61.00 62.11 1rq9 s PRO 44 Cb -0.10 -3.46 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 1rq9 s PRO 44 CO 0.01 -0.01 -0.12 0.21 0.04 0.00 0.00 177.00 177.14 1rq9 s LYS 45 N 0.98 0.82 -0.08 4.56 2.20 -0.49 -4.91 119.74 122.83 1rq9 s LYS 45 Ca 0.43 -1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 54.99 1rq9 s LYS 45 Cb -0.19 -0.69 -0.03 0.00 -1.51 0.00 0.00 37.83 35.41 1rq9 s LYS 45 CO 0.21 0.14 0.00 -0.51 -0.36 0.00 0.00 175.35 174.83 1rq9 s LEU 46 N -2.04 3.58 0.00 5.43 1.43 -1.26 -0.05 118.68 125.78 1rq9 s LEU 46 Ca 0.01 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1rq9 s LEU 46 Cb -0.07 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.31 1rq9 s LEU 46 CO 0.02 0.37 0.00 2.30 0.23 0.00 0.00 176.35 179.26 1rq9 n ILE 47 N 2.06 0.00 -4.34 -0.59 -5.35 -0.12 -4.96 119.36 106.06 1rq9 n ILE 47 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1rq9 n ILE 47 Cb 0.54 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 1rq9 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rq9 n GLY 48 N 1.97 0.96 0.00 3.28 0.00 -1.26 -2.69 105.19 107.45 1rq9 n GLY 48 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1rq9 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq9 n GLY 49 N 0.00 0.49 3.54 -0.02 0.00 -1.10 -4.88 105.19 103.23 1rq9 n GLY 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1rq9 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rq9 s ILE 50 N 0.00 5.07 0.00 -0.61 1.09 -1.26 -3.83 121.20 121.66 1rq9 s ILE 50 Ca 0.00 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.69 1rq9 s ILE 50 Cb 0.00 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 1rq9 s ILE 50 CO 0.00 -0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.24 1rq9 n GLY 51 N 4.90 0.79 0.00 6.18 0.00 -1.26 -4.89 105.19 110.90 1rq9 n GLY 51 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1rq9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rq9 n GLY 52 N -2.32 1.17 3.72 -0.02 0.00 -1.25 -5.05 105.19 101.44 1rq9 n GLY 52 Ca 0.00 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.48 1rq9 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rq9 s PHE 53 N -1.31 3.14 -0.23 1.61 0.08 -1.26 -2.70 117.98 117.31 1rq9 s PHE 53 Ca 0.00 0.12 -0.08 0.00 0.12 0.00 0.00 56.93 57.09 1rq9 s PHE 53 Cb 0.00 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1rq9 s PHE 53 CO 0.00 0.49 0.09 0.54 -0.10 0.00 0.00 175.22 176.24 1rq9 s VAL 54 N -1.13 4.67 0.01 -0.44 0.11 -1.10 -4.91 120.40 117.61 1rq9 s VAL 54 Ca 0.21 -0.06 -0.20 0.00 -2.93 0.00 0.00 61.98 59.00 1rq9 s VAL 54 Cb -0.12 -3.16 -0.06 0.00 -1.53 0.00 0.00 36.38 31.51 1rq9 s VAL 54 CO 0.12 0.37 0.57 -0.75 -3.33 0.00 0.00 175.10 172.07 1rq9 s LYS 55 N 1.18 4.26 0.16 1.54 2.20 -1.26 -0.94 119.74 126.87 1rq9 s LYS 55 Ca 0.05 0.70 0.03 0.00 -0.36 0.00 0.00 55.97 56.39 1rq9 s LYS 55 Cb -0.14 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 1rq9 s LYS 55 CO 0.04 0.44 0.11 1.33 -0.36 0.00 0.00 175.35 176.91 1rq9 n VAL 56 N 2.47 0.00 -4.09 4.02 0.24 0.93 -4.81 118.33 117.10 1rq9 n VAL 56 Ca -0.08 -1.08 -0.35 0.00 -2.04 0.00 0.00 64.34 60.79 1rq9 n VAL 56 Cb 0.51 0.49 -0.13 0.00 -1.47 0.00 0.00 33.84 33.24 1rq9 n VAL 56 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1rq9 s ARG 57 N -2.64 3.61 -0.10 7.34 0.52 -0.70 -1.40 118.95 125.58 1rq9 s ARG 57 Ca 0.15 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 1rq9 s ARG 57 Cb 0.01 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.37 1rq9 s ARG 57 CO 0.11 0.02 0.35 -1.14 0.02 0.00 0.00 175.30 174.66 1rq9 s GLN 58 N 0.97 4.11 0.14 3.54 0.74 0.30 0.80 119.66 130.26 1rq9 s GLN 58 Ca 0.01 0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.74 1rq9 s GLN 58 Cb -0.14 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 1rq9 s GLN 58 CO 0.02 0.39 -0.16 0.71 -0.55 0.00 0.00 175.29 175.70 1rq9 s TYR 59 N -0.05 1.60 0.09 1.67 1.51 -1.21 -0.88 117.35 120.08 1rq9 s TYR 59 Ca 0.20 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1rq9 s TYR 59 Cb -0.14 -0.82 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1rq9 s TYR 59 CO 0.08 0.23 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.04 1rq9 s ASP 60 N -2.57 2.40 -1.18 2.29 1.01 -1.26 -2.62 116.67 114.74 1rq9 s ASP 60 Ca 0.12 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.73 1rq9 s ASP 60 Cb -0.05 -0.13 0.00 0.00 1.01 0.00 0.00 42.92 43.74 1rq9 s ASP 60 CO 0.05 0.05 0.00 0.00 0.21 0.00 0.00 175.17 175.48 1rq9 n GLN 61 N 1.22 -1.88 -2.07 8.23 6.02 -1.26 -4.85 117.38 122.80 1rq9 n GLN 61 Ca -0.19 0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 57.05 1rq9 n GLN 61 Cb 0.54 -5.14 -0.03 0.00 1.02 0.00 0.00 30.24 26.63 1rq9 n GLN 61 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1rq9 s VAL 62 N -2.44 3.48 0.32 5.09 1.01 -1.24 -4.61 120.40 122.01 1rq9 s VAL 62 Ca 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1rq9 s VAL 62 Cb 0.00 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 1rq9 s VAL 62 CO 0.00 -0.70 0.70 -2.65 0.00 0.00 0.00 175.10 172.45 1rq9 n PRO 63 N 8.74 0.71 -3.75 2.72 -0.02 -1.26 -3.33 135.00 138.81 1rq9 n PRO 63 Ca 0.21 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 1rq9 n PRO 63 Cb 0.49 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 1rq9 n PRO 63 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rq9 s ILE 64 N -1.21 0.03 -0.07 4.25 1.09 0.90 -4.63 121.20 121.56 1rq9 s ILE 64 Ca 0.62 -0.26 0.05 0.00 -1.10 0.00 0.00 60.65 59.96 1rq9 s ILE 64 Cb -0.72 -0.58 -0.01 0.00 -1.06 0.00 0.00 42.46 40.09 1rq9 s ILE 64 CO 0.58 -0.14 -0.24 -0.70 -0.10 0.00 0.00 174.94 174.34 1rq9 s GLU 65 N -0.69 2.73 -0.17 2.79 2.12 -1.11 0.11 118.70 124.48 1rq9 s GLU 65 Ca -0.08 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.38 1rq9 s GLU 65 Cb -0.04 -2.24 0.03 0.00 0.26 0.00 0.00 34.13 32.14 1rq9 s GLU 65 CO 0.03 0.33 -0.13 0.42 -0.54 0.00 0.00 175.26 175.37 1rq9 s ILE 66 N -0.03 1.58 -1.23 -3.70 1.01 -0.39 -1.57 121.20 116.87 1rq9 s ILE 66 Ca -0.07 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.56 1rq9 s ILE 66 Cb -0.15 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.79 1rq9 s ILE 66 CO 0.05 0.35 0.64 0.00 0.00 0.00 0.00 174.94 175.99 1rq9 n GLY 68 N -2.02 1.03 3.49 0.00 0.00 -1.26 -4.92 105.19 101.51 1rq9 n GLY 68 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1rq9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rq9 s HIS 69 N -2.27 3.12 0.09 1.61 4.02 0.59 -5.00 115.29 117.45 1rq9 s HIS 69 Ca 0.00 -1.60 -0.31 0.00 1.02 0.00 0.00 55.06 54.18 1rq9 s HIS 69 Cb 0.00 -4.41 -0.10 0.00 -1.02 0.00 0.00 32.58 27.05 1rq9 s HIS 69 CO 0.00 -1.56 1.89 0.15 1.02 0.00 0.00 174.74 176.24 1rq9 s LYS 70 N 2.82 4.14 0.30 1.40 1.02 -1.26 -1.26 119.74 126.89 1rq9 s LYS 70 Ca 0.41 2.61 -0.07 0.00 0.02 0.00 0.00 55.97 58.94 1rq9 s LYS 70 Cb -0.02 -3.82 -0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1rq9 s LYS 70 CO -0.04 -0.89 0.46 0.54 -0.92 0.00 0.00 175.35 174.49 1rq9 s VAL 71 N 3.43 0.00 -0.03 3.17 0.11 0.12 -4.96 120.40 122.23 1rq9 s VAL 71 Ca 0.84 -1.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.39 1rq9 s VAL 71 Cb -0.45 -2.49 -0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1rq9 s VAL 71 CO 0.39 0.00 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.38 1rq9 s ILE 72 N -3.46 1.20 0.00 7.04 1.01 -1.26 -0.07 121.20 125.65 1rq9 s ILE 72 Ca 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1rq9 s ILE 72 Cb 0.00 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1rq9 s ILE 72 CO 0.15 0.35 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1rq9 n GLY 73 N 3.13 0.97 3.67 6.18 0.00 -1.21 -4.92 105.19 113.02 1rq9 n GLY 73 Ca -0.18 -0.35 -0.54 0.00 0.00 0.00 0.00 46.02 44.95 1rq9 n GLY 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rq9 n THR 74 N -0.03 0.25 -3.92 2.61 -1.04 -1.26 -3.67 114.28 107.22 1rq9 n THR 74 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 1rq9 n THR 74 Cb 0.00 -1.25 -0.15 0.00 -1.82 0.00 0.00 70.33 67.11 1rq9 n THR 74 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1rq9 s VAL 75 N 2.69 1.59 0.08 12.58 1.01 -1.08 -4.53 120.40 132.75 1rq9 s VAL 75 Ca 0.93 -1.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.02 1rq9 s VAL 75 Cb -0.95 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1rq9 s VAL 75 CO 0.57 -0.37 1.38 -0.76 0.00 0.00 0.00 175.10 175.93 1rq9 s LEU 76 N 1.31 4.36 -0.27 3.92 1.43 0.13 -3.34 118.68 126.21 1rq9 s LEU 76 Ca 0.02 2.25 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 1rq9 s LEU 76 Cb -0.19 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.50 1rq9 s LEU 76 CO -0.11 -0.66 -0.04 -0.69 0.23 0.00 0.00 176.35 175.07 1rq9 s VAL 77 N 1.48 2.77 0.00 -1.59 1.01 0.24 -1.42 120.40 122.88 1rq9 s VAL 77 Ca 0.64 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1rq9 s VAL 77 Cb -0.35 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1rq9 s VAL 77 CO 0.29 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1rq9 n GLY 78 N 4.60 1.69 3.57 4.51 0.00 -0.83 -1.73 105.19 116.99 1rq9 n GLY 78 Ca -0.14 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1rq9 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rq9 s PRO 79 N 1.46 3.53 0.02 1.61 0.04 -1.26 -2.38 135.00 138.02 1rq9 s PRO 79 Ca 0.00 0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.25 1rq9 s PRO 79 Cb 0.00 -3.96 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1rq9 s PRO 79 CO 0.00 -1.38 -0.08 -0.08 0.04 0.00 0.00 177.00 175.50 1rq9 s THR 80 N 4.14 0.61 -0.81 1.26 -1.32 -1.26 -5.03 115.64 113.23 1rq9 s THR 80 Ca 0.39 -0.64 0.13 0.00 -1.21 0.00 0.00 61.69 60.37 1rq9 s THR 80 Cb -0.09 -0.57 0.12 0.00 -1.51 0.00 0.00 72.50 70.45 1rq9 s THR 80 CO 0.26 -0.04 1.41 -0.81 -2.21 0.00 0.00 174.62 173.23 1rq9 n PRO 81 N 2.31 0.05 -3.64 7.08 -0.04 -1.26 -4.69 135.00 134.81 1rq9 n PRO 81 Ca -0.17 0.40 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1rq9 n PRO 81 Cb 0.56 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 1rq9 n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rq9 s ALA 82 N -3.13 -2.22 0.34 0.55 0.00 -1.26 -5.14 121.76 110.90 1rq9 s ALA 82 Ca 0.03 2.14 -0.28 0.00 0.00 0.00 0.00 51.96 53.86 1rq9 s ALA 82 Cb 0.06 -1.66 -0.13 0.00 0.00 0.00 0.00 23.12 21.40 1rq9 s ALA 82 CO 0.21 -0.32 1.19 0.09 0.00 0.00 0.00 175.76 176.92 1rq9 n ASN 83 N 3.41 2.22 -3.83 0.00 4.13 -1.26 -4.92 115.26 115.01 1rq9 n ASN 83 Ca -0.17 1.18 -0.13 0.00 1.68 0.00 0.00 54.58 57.14 1rq9 n ASN 83 Cb 0.57 -1.42 -0.15 0.00 -1.54 0.00 0.00 39.78 37.25 1rq9 n ASN 83 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1rq9 s VAL 84 N -1.10 -0.02 -0.37 2.41 -7.23 -0.41 -2.45 120.40 111.23 1rq9 s VAL 84 Ca 0.57 0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.69 1rq9 s VAL 84 Cb -0.60 -0.06 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1rq9 s VAL 84 CO 0.61 0.03 0.25 -0.63 -0.31 0.00 0.00 175.10 175.05 1rq9 s ILE 85 N 0.40 5.16 0.00 -0.62 -1.09 -0.60 -2.18 121.20 122.27 1rq9 s ILE 85 Ca -0.03 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 1rq9 s ILE 85 Cb -0.05 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1rq9 s ILE 85 CO -0.01 -0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.18 1rq9 n GLY 86 N 5.11 -0.72 0.12 6.18 0.00 -1.18 -2.34 105.19 112.36 1rq9 n GLY 86 Ca -0.12 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1rq9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rq9 h ARG 87 N 0.00 0.23 -1.02 1.61 3.08 -1.01 -2.35 114.38 114.92 1rq9 h ARG 87 Ca 0.00 -0.29 0.24 0.00 0.07 0.00 0.00 59.98 60.00 1rq9 h ARG 87 Cb 0.00 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.04 1rq9 h ARG 87 CO 0.00 1.05 0.63 -2.95 -1.07 0.00 0.00 179.97 177.63 1rq9 h ASN 88 N 0.11 0.59 0.16 7.04 -1.07 -1.77 0.21 115.58 120.85 1rq9 h ASN 88 Ca -0.07 0.11 -0.36 0.00 0.07 0.00 0.00 56.30 56.05 1rq9 h ASN 88 Cb 1.67 0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 37.88 1rq9 h ASN 88 CO 0.16 0.13 -2.09 0.18 0.07 0.00 0.00 177.43 175.87 1rq9 n LEU 89 N -4.75 1.99 -0.01 6.14 4.32 -1.22 -3.98 117.00 119.49 1rq9 n LEU 89 Ca 0.25 0.15 0.07 0.00 -0.02 0.00 0.00 56.01 56.47 1rq9 n LEU 89 Cb 0.77 -0.58 0.47 0.00 -1.62 0.00 0.00 43.42 42.46 1rq9 n LEU 89 CO 0.21 0.73 1.17 0.24 -1.22 0.00 0.00 177.39 178.51 1rq9 h MET 90 N 0.03 0.44 0.00 3.23 2.86 -0.76 0.12 114.93 120.85 1rq9 h MET 90 Ca -0.45 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1rq9 h MET 90 Cb 2.03 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.59 1rq9 h MET 90 CO 0.04 0.29 0.00 1.79 1.06 0.00 0.00 176.91 180.09 1rq9 h THR 91 N 0.45 0.00 0.00 2.22 1.35 -0.78 -2.43 112.91 113.73 1rq9 h THR 91 Ca 0.19 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1rq9 h THR 91 Cb 0.18 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1rq9 h THR 91 CO -0.05 0.00 -0.51 1.56 -0.25 0.00 0.00 175.52 176.27 1rq9 h GLN 92 N 0.00 0.00 0.00 4.72 1.08 -0.90 -3.34 115.11 116.67 1rq9 h GLN 92 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1rq9 h GLN 92 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1rq9 h GLN 92 CO 0.00 0.00 -0.93 0.44 -0.95 0.00 0.00 178.83 177.39 1rq9 n ILE 93 N -2.46 0.00 0.00 2.54 -5.35 -1.05 -4.94 119.36 108.10 1rq9 n ILE 93 Ca 0.03 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1rq9 n ILE 93 Cb 0.48 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1rq9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rq9 n GLY 94 N 1.42 1.01 3.64 3.28 0.00 -1.13 -5.07 105.19 108.35 1rq9 n GLY 94 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.55 1rq9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rq9 s THR 96 N 1.37 1.19 -0.27 0.00 -4.23 -1.26 -4.63 115.64 107.81 1rq9 s THR 96 Ca 0.85 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1rq9 s THR 96 Cb -0.83 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1rq9 s THR 96 CO 0.46 -0.44 0.32 -0.22 -0.54 0.00 0.00 174.62 174.20 1rq9 s LEU 97 N -3.29 4.04 -0.04 4.79 2.96 -1.26 -5.06 118.68 120.82 1rq9 s LEU 97 Ca 0.25 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1rq9 s LEU 97 Cb 0.04 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.40 1rq9 s LEU 97 CO 0.07 -0.14 -0.09 0.20 -1.32 0.00 0.00 176.35 175.07 1rq9 s ASN 98 N 1.61 1.30 0.00 3.68 0.01 -1.26 -5.31 114.94 114.97 1rq9 s ASN 98 Ca 0.13 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1rq9 s ASN 98 Cb -0.16 -0.46 0.00 0.00 0.41 0.00 0.00 41.25 41.05 1rq9 s ASN 98 CO 0.10 0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.95