#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy7 s LYS 2 N 0.00 0.55 -0.19 0.03 -0.14 -0.16 -2.32 119.74 117.51 1qy7 s LYS 2 Ca 0.00 -0.68 -0.07 0.00 -1.36 0.00 0.00 55.97 53.86 1qy7 s LYS 2 Cb 0.00 -0.38 -0.04 0.00 -1.68 0.00 0.00 37.83 35.73 1qy7 s LYS 2 CO 0.00 0.08 0.05 0.21 -0.76 0.00 0.00 175.35 174.93 1qy7 s LYS 3 N -1.33 3.88 -0.19 1.68 2.47 0.19 -1.44 119.74 125.00 1qy7 s LYS 3 Ca -0.07 -0.39 -0.03 0.00 -1.56 0.00 0.00 55.97 53.92 1qy7 s LYS 3 Cb -0.09 -3.21 -0.01 0.00 -1.46 0.00 0.00 37.83 33.07 1qy7 s LYS 3 CO 0.00 0.18 -0.06 0.42 0.16 0.00 0.00 175.35 176.05 1qy7 s ILE 4 N 0.61 3.39 -0.05 5.43 1.01 0.70 -0.87 121.20 131.42 1qy7 s ILE 4 Ca 0.03 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.22 1qy7 s ILE 4 Cb -0.13 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1qy7 s ILE 4 CO 0.02 0.46 -0.22 -1.61 0.00 0.00 0.00 174.94 173.58 1qy7 s GLU 5 N 1.01 2.26 -0.02 2.79 2.02 0.08 -1.21 118.70 125.62 1qy7 s GLU 5 Ca -0.00 -0.80 0.02 0.00 0.02 0.00 0.00 54.97 54.21 1qy7 s GLU 5 Cb -0.15 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1qy7 s GLU 5 CO -0.00 0.34 -0.06 0.00 0.02 0.00 0.00 175.26 175.55 1qy7 s ALA 6 N -0.11 0.65 -0.32 5.21 0.00 -0.24 -0.27 121.76 126.67 1qy7 s ALA 6 Ca -0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 1qy7 s ALA 6 Cb -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.75 1qy7 s ALA 6 CO 0.03 0.10 0.13 0.42 0.00 0.00 0.00 175.76 176.43 1qy7 s ILE 7 N 0.23 4.21 0.36 0.00 -1.09 -0.63 -0.22 121.20 124.06 1qy7 s ILE 7 Ca -0.03 -0.74 0.05 0.00 -2.23 0.00 0.00 60.65 57.70 1qy7 s ILE 7 Cb -0.07 -3.24 -0.07 0.00 -1.58 0.00 0.00 42.46 37.49 1qy7 s ILE 7 CO 0.00 -0.04 0.04 0.27 -1.23 0.00 0.00 174.94 173.98 1qy7 s ILE 8 N 1.52 1.49 0.23 2.92 -4.36 -0.18 -3.22 121.20 119.60 1qy7 s ILE 8 Ca 0.02 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.11 1qy7 s ILE 8 Cb -0.18 -2.86 -0.09 0.00 1.25 0.00 0.00 42.46 40.58 1qy7 s ILE 8 CO 0.04 0.00 1.20 -0.13 0.24 0.00 0.00 174.94 176.29 1qy7 s ARG 9 N -3.82 4.50 0.28 0.37 0.52 -1.26 -1.81 118.95 117.73 1qy7 s ARG 9 Ca 0.36 1.92 0.01 0.00 -0.52 0.00 0.00 55.73 57.50 1qy7 s ARG 9 Cb 0.09 -3.20 0.59 0.00 0.52 0.00 0.00 34.95 32.96 1qy7 s ARG 9 CO 0.16 -0.03 1.78 -1.35 0.02 0.00 0.00 175.30 175.88 1qy7 h PRO 10 N 4.62 0.71 0.00 3.54 0.11 -1.90 -1.89 132.00 137.20 1qy7 h PRO 10 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qy7 h PRO 10 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qy7 h PRO 10 CO 0.72 0.47 0.00 1.97 -0.21 0.00 0.00 178.00 180.94 1qy7 n PHE 11 N -4.80 0.32 1.35 0.65 1.16 -1.26 -2.04 117.46 112.84 1qy7 n PHE 11 Ca 0.19 0.13 0.13 0.00 -1.87 0.00 0.00 57.45 56.03 1qy7 n PHE 11 Cb 0.46 -0.71 0.45 0.00 -1.61 0.00 0.00 39.48 38.07 1qy7 n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1qy7 n LYS 12 N -1.79 1.16 0.04 3.97 4.76 -0.71 -4.52 118.16 121.06 1qy7 n LYS 12 Ca 0.03 -0.67 -0.16 0.00 -2.87 0.00 0.00 58.31 54.64 1qy7 n LYS 12 Cb 0.18 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 1qy7 n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1qy7 h LEU 13 N 1.62 -1.69 -1.31 -0.35 5.85 -1.51 -1.83 115.31 116.10 1qy7 h LEU 13 Ca 0.00 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1qy7 h LEU 13 Cb 0.50 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1qy7 h LEU 13 CO 0.00 -0.51 0.49 0.44 -0.34 0.00 0.00 178.44 178.51 1qy7 h ASP 14 N -0.65 0.78 -0.01 1.25 3.45 -1.84 0.38 116.42 119.78 1qy7 h ASP 14 Ca 0.02 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 1qy7 h ASP 14 Cb 0.71 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1qy7 h ASP 14 CO -0.38 0.54 0.00 -0.08 -1.57 0.00 0.00 179.24 177.75 1qy7 h GLU 15 N 0.91 0.01 -0.26 3.56 4.81 -1.75 -0.37 114.58 121.49 1qy7 h GLU 15 Ca 0.29 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1qy7 h GLU 15 Cb 0.03 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1qy7 h GLU 15 CO -0.08 0.16 0.08 0.28 -0.73 0.00 0.00 179.01 178.72 1qy7 h VAL 16 N -0.14 1.20 -0.06 0.32 2.07 -1.05 -1.50 116.25 117.09 1qy7 h VAL 16 Ca 0.00 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1qy7 h VAL 16 Cb 0.15 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1qy7 h VAL 16 CO -0.00 0.21 -0.10 0.50 0.02 0.00 0.00 177.57 178.20 1qy7 h LYS 17 N 0.25 -0.14 -0.61 1.57 3.64 -0.86 -1.47 116.57 118.94 1qy7 h LYS 17 Ca 0.08 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1qy7 h LYS 17 Cb 0.25 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1qy7 h LYS 17 CO -0.00 -0.10 0.01 0.82 -2.27 0.00 0.00 179.45 177.91 1qy7 h ILE 18 N -0.15 1.27 -0.84 2.00 2.04 -1.05 -1.66 117.51 119.13 1qy7 h ILE 18 Ca 0.06 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.80 1qy7 h ILE 18 Cb 0.23 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1qy7 h ILE 18 CO -0.15 0.41 0.55 0.00 0.00 0.00 0.00 178.15 178.96 1qy7 h ALA 19 N 0.99 1.07 -0.10 1.87 0.00 -1.04 0.24 119.26 122.29 1qy7 h ALA 19 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1qy7 h ALA 19 Cb 0.55 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1qy7 h ALA 19 CO 0.03 0.43 -0.08 -0.07 0.00 0.00 0.00 179.25 179.56 1qy7 h LEU 20 N 1.10 0.25 -0.77 0.00 4.07 -1.08 -2.46 115.31 116.42 1qy7 h LEU 20 Ca 0.32 -0.47 0.01 0.00 0.08 0.00 0.00 57.88 57.82 1qy7 h LEU 20 Cb -0.08 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 41.55 1qy7 h LEU 20 CO -0.08 0.66 0.51 0.58 -1.08 0.00 0.00 178.44 179.02 1qy7 h VAL 21 N -0.17 1.19 0.00 1.22 2.07 -1.13 0.15 116.25 119.58 1qy7 h VAL 21 Ca 0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1qy7 h VAL 21 Cb 0.59 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1qy7 h VAL 21 CO 0.02 0.19 -0.03 0.78 0.02 0.00 0.00 177.57 178.55 1qy7 h ASN 22 N 1.03 0.00 -0.17 0.57 2.35 -0.93 -0.78 115.58 117.65 1qy7 h ASN 22 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1qy7 h ASN 22 Cb -0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1qy7 h ASN 22 CO -0.06 0.03 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1qy7 n ALA 23 N -2.12 2.51 -0.56 -0.83 0.00 -0.48 -4.91 120.51 114.12 1qy7 n ALA 23 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 1qy7 n ALA 23 Cb 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1qy7 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qy7 n GLY 24 N 1.21 0.67 3.20 0.00 0.00 -0.30 -5.05 105.19 104.92 1qy7 n GLY 24 Ca 0.17 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1qy7 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qy7 s ILE 25 N -2.00 3.77 -0.28 -0.61 -1.09 0.40 -4.94 121.20 116.45 1qy7 s ILE 25 Ca 0.00 -1.70 0.03 0.00 -2.23 0.00 0.00 60.65 56.74 1qy7 s ILE 25 Cb 0.00 -3.42 0.05 0.00 -1.58 0.00 0.00 42.46 37.51 1qy7 s ILE 25 CO 0.00 -0.59 0.85 1.33 -1.23 0.00 0.00 174.94 175.31 1qy7 n VAL 26 N 4.77 0.56 -0.42 2.92 0.24 -1.26 -2.95 118.33 122.20 1qy7 n VAL 26 Ca -0.07 -0.78 -0.06 0.00 -2.04 0.00 0.00 64.34 61.39 1qy7 n VAL 26 Cb 0.42 0.74 0.20 0.00 -1.47 0.00 0.00 33.84 33.74 1qy7 n VAL 26 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qy7 n GLY 27 N -0.07 3.11 3.81 7.63 0.00 -1.26 -4.97 105.19 113.45 1qy7 n GLY 27 Ca 0.02 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1qy7 n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1qy7 s MET 28 N -2.24 4.22 0.03 1.61 0.23 -1.26 -4.62 119.30 117.28 1qy7 s MET 28 Ca 0.38 1.16 0.06 0.00 -1.03 0.00 0.00 55.69 56.26 1qy7 s MET 28 Cb 0.31 -2.23 -0.02 0.00 -1.53 0.00 0.00 34.83 31.36 1qy7 s MET 28 CO 0.09 -0.04 -0.18 0.95 -2.03 0.00 0.00 175.02 173.82 1qy7 s THR 29 N -2.11 1.43 -0.03 3.16 -4.23 -0.09 -4.96 115.64 108.80 1qy7 s THR 29 Ca 0.61 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 1qy7 s THR 29 Cb -0.10 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 72.48 1qy7 s THR 29 CO 0.15 0.19 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.54 1qy7 s VAL 30 N -0.72 1.49 0.06 2.29 1.01 -1.26 -0.86 120.40 122.41 1qy7 s VAL 30 Ca 0.06 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1qy7 s VAL 30 Cb -0.08 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1qy7 s VAL 30 CO 0.01 0.43 -0.11 -0.94 0.00 0.00 0.00 175.10 174.49 1qy7 s SER 31 N -0.15 1.29 0.02 3.32 1.04 -0.31 -4.98 113.70 113.93 1qy7 s SER 31 Ca 0.00 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.59 1qy7 s SER 31 Cb -0.10 -0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 1qy7 s SER 31 CO 0.01 -0.15 0.70 -1.61 0.98 0.00 0.00 173.24 173.17 1qy7 s GLU 32 N -1.78 4.43 0.23 4.02 2.02 -1.26 -0.79 118.70 125.57 1qy7 s GLU 32 Ca -0.05 0.93 0.01 0.00 0.02 0.00 0.00 54.97 55.88 1qy7 s GLU 32 Cb -0.09 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 1qy7 s GLU 32 CO 0.01 0.29 0.15 0.14 0.02 0.00 0.00 175.26 175.86 1qy7 s VAL 33 N -0.00 0.09 0.06 2.63 -7.23 -0.86 -4.92 120.40 110.16 1qy7 s VAL 33 Ca 0.36 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.60 1qy7 s VAL 33 Cb -0.19 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 1qy7 s VAL 33 CO 0.20 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.67 1qy7 s ARG 34 N -4.03 1.26 0.34 4.82 0.52 -1.26 -0.78 118.95 119.81 1qy7 s ARG 34 Ca 0.39 -0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 54.49 1qy7 s ARG 34 Cb 0.06 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 34.17 1qy7 s ARG 34 CO 0.14 0.35 0.69 0.20 0.02 0.00 0.00 175.30 176.70 1qy7 s GLY 35 N -1.34 0.48 0.21 -3.53 0.00 -0.09 -4.92 107.32 98.13 1qy7 s GLY 35 Ca 0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.79 1qy7 s GLY 35 CO 0.02 -0.41 0.70 -1.36 0.00 0.00 0.00 173.10 172.05 1qy7 s PHE 36 N -2.96 3.64 0.17 1.90 0.40 -1.26 -0.20 117.98 119.67 1qy7 s PHE 36 Ca 0.18 1.34 -0.14 0.00 -0.60 0.00 0.00 56.93 57.71 1qy7 s PHE 36 Cb -0.04 -2.58 0.01 0.00 0.51 0.00 0.00 43.02 40.92 1qy7 s PHE 36 CO 0.12 0.35 0.40 0.20 0.70 0.00 0.00 175.22 176.99 1qy7 s GLY 37 N -1.66 0.11 0.34 4.36 0.00 0.09 -4.90 107.32 105.66 1qy7 s GLY 37 Ca 0.42 -0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.57 1qy7 s GLY 37 CO 0.21 -0.51 0.69 0.50 0.00 0.00 0.00 173.10 173.99 1qy7 s ARG 38 N -3.90 3.79 -0.09 2.90 0.52 -1.26 -0.48 118.95 120.43 1qy7 s ARG 38 Ca 0.11 0.39 -0.03 0.00 -0.52 0.00 0.00 55.73 55.68 1qy7 s ARG 38 Cb 0.01 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 33.04 1qy7 s ARG 38 CO -0.03 0.09 0.05 -1.14 0.02 0.00 0.00 175.30 174.30 1qy7 s GLN 39 N -3.50 0.15 0.40 3.54 0.74 0.09 -4.89 119.66 116.18 1qy7 s GLN 39 Ca 0.50 0.14 -0.26 0.00 0.05 0.00 0.00 55.36 55.79 1qy7 s GLN 39 Cb -0.10 -1.07 -0.11 0.00 1.10 0.00 0.00 33.01 32.83 1qy7 s GLN 39 CO 0.27 -0.44 1.29 1.63 -0.55 0.00 0.00 175.29 177.49 1qy7 n LYS 40 N 5.25 2.02 -3.46 1.67 4.76 -1.26 -1.51 118.16 125.62 1qy7 n LYS 40 Ca -0.05 0.71 -0.21 0.00 -2.87 0.00 0.00 58.31 55.89 1qy7 n LYS 40 Cb 0.50 -2.38 -0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1qy7 n LYS 40 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1qy7 s GLY 41 N -0.45 2.09 0.27 0.72 0.00 0.55 -4.84 107.32 105.66 1qy7 s GLY 41 Ca 0.59 -1.77 -0.29 0.00 0.00 0.00 0.00 44.72 43.24 1qy7 s GLY 41 CO 0.59 -1.72 1.04 1.20 0.00 0.00 0.00 173.10 174.21 1qy7 s GLN 42 N -4.28 4.70 0.03 2.90 -0.21 -1.26 -4.77 119.66 116.77 1qy7 s GLN 42 Ca 0.48 1.67 -0.28 0.00 0.02 0.00 0.00 55.36 57.25 1qy7 s GLN 42 Cb -0.04 -3.19 0.09 0.00 1.00 0.00 0.00 33.01 30.87 1qy7 s GLN 42 CO 0.29 0.32 0.98 -0.08 -2.12 0.00 0.00 175.29 174.67 1qy7 s THR 43 N -1.19 0.00 0.00 -0.19 -1.32 -1.26 -4.87 115.64 106.80 1qy7 s THR 43 Ca 0.44 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 1qy7 s THR 43 Cb -0.29 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1qy7 s THR 43 CO 0.37 0.00 0.14 -0.62 -2.21 0.00 0.00 174.62 172.30 1qy7 n GLU 44 N -0.33 4.56 0.10 7.08 1.02 -1.26 -4.81 120.64 127.01 1qy7 n GLU 44 Ca -0.07 -0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 56.89 1qy7 n GLU 44 Cb 0.61 -0.62 -0.02 0.00 -0.02 0.00 0.00 31.44 31.39 1qy7 n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qy7 h ARG 45 N 0.00 -0.27 -1.66 3.49 3.08 -2.01 -3.49 114.38 113.51 1qy7 h ARG 45 Ca 0.00 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.28 1qy7 h ARG 45 Cb 0.01 0.06 -0.19 0.00 0.08 0.00 0.00 29.97 29.93 1qy7 h ARG 45 CO 0.00 -0.18 0.73 1.52 -1.07 0.00 0.00 179.97 180.97 1qy7 s TYR 46 N -2.64 -0.19 -0.07 3.04 -0.85 -1.26 -5.07 117.35 110.30 1qy7 s TYR 46 Ca -0.04 0.14 -0.37 0.00 -0.52 0.00 0.00 57.07 56.28 1qy7 s TYR 46 Cb 0.00 0.52 -0.15 0.00 0.38 0.00 0.00 41.96 42.71 1qy7 s TYR 46 CO 0.12 -0.29 1.66 -2.13 -1.52 0.00 0.00 175.55 173.39 1qy7 n ARG 47 N -0.06 1.57 -1.00 -3.49 0.63 -1.26 -1.12 116.66 111.93 1qy7 n ARG 47 Ca -0.02 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 1qy7 n ARG 47 Cb 0.59 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1qy7 n ARG 47 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qy7 n GLY 48 N 3.72 0.48 0.31 5.14 0.00 -1.26 -4.90 105.19 108.68 1qy7 n GLY 48 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 1qy7 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qy7 h ALA 49 N 0.00 1.72 -2.87 4.61 0.00 -1.48 -3.42 119.26 117.82 1qy7 h ALA 49 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1qy7 h ALA 49 Cb 0.06 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.63 1qy7 h ALA 49 CO 0.00 -0.12 -0.38 -1.21 0.00 0.00 0.00 179.25 177.54 1qy7 s GLU 50 N -4.71 0.44 0.10 0.00 2.02 -1.26 -5.06 118.70 110.22 1qy7 s GLU 50 Ca -0.05 0.09 -0.27 0.00 0.02 0.00 0.00 54.97 54.77 1qy7 s GLU 50 Cb 0.16 0.20 0.08 0.00 0.10 0.00 0.00 34.13 34.67 1qy7 s GLU 50 CO 0.57 -0.09 1.06 1.52 0.02 0.00 0.00 175.26 178.34 1qy7 s TYR 51 N -0.50 -0.11 0.23 1.61 -0.85 -1.26 -0.33 117.35 116.14 1qy7 s TYR 51 Ca -0.06 -0.13 0.11 0.00 -0.52 0.00 0.00 57.07 56.46 1qy7 s TYR 51 Cb -0.04 0.61 -0.05 0.00 0.38 0.00 0.00 41.96 42.86 1qy7 s TYR 51 CO 0.02 -0.65 -0.19 0.95 -1.52 0.00 0.00 175.55 174.15 1qy7 s THR 52 N -3.02 2.21 -0.30 -3.49 -4.23 -0.57 -4.91 115.64 101.34 1qy7 s THR 52 Ca 0.13 -2.23 -0.10 0.00 -1.18 0.00 0.00 61.69 58.31 1qy7 s THR 52 Cb 0.00 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 1qy7 s THR 52 CO 0.00 -0.38 0.15 -0.69 -0.54 0.00 0.00 174.62 173.16 1qy7 s VAL 53 N -2.39 4.67 0.29 2.29 1.01 -1.26 -0.73 120.40 124.28 1qy7 s VAL 53 Ca 0.25 -0.28 0.11 0.00 0.00 0.00 0.00 61.98 62.05 1qy7 s VAL 53 Cb -0.05 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1qy7 s VAL 53 CO 0.11 0.14 -0.15 -1.61 0.00 0.00 0.00 175.10 173.59 1qy7 s GLU 54 N 1.64 1.80 -0.38 2.72 0.41 0.37 -4.91 118.70 120.35 1qy7 s GLU 54 Ca 0.05 -1.75 -0.20 0.00 -0.41 0.00 0.00 54.97 52.67 1qy7 s GLU 54 Cb -0.17 -1.82 0.01 0.00 -1.78 0.00 0.00 34.13 30.37 1qy7 s GLU 54 CO 0.07 0.30 0.60 0.12 -0.49 0.00 0.00 175.26 175.85 1qy7 s PHE 55 N -2.50 3.13 0.28 1.61 5.99 -1.26 -0.74 117.98 124.49 1qy7 s PHE 55 Ca 0.31 0.15 0.02 0.00 0.00 0.00 0.00 56.93 57.41 1qy7 s PHE 55 Cb -0.04 -3.15 -0.05 0.00 0.00 0.00 0.00 43.02 39.78 1qy7 s PHE 55 CO 0.16 -0.69 0.10 -0.48 -0.00 0.00 0.00 175.22 174.31 1qy7 s LEU 56 N 2.65 1.70 0.21 6.12 0.05 0.72 -4.91 118.68 125.22 1qy7 s LEU 56 Ca 0.22 -1.42 -0.30 0.00 0.05 0.00 0.00 54.13 52.68 1qy7 s LEU 56 Cb -0.15 0.00 -0.08 0.00 -2.05 0.00 0.00 46.19 43.91 1qy7 s LEU 56 CO 0.16 -0.75 1.20 -1.10 -0.55 0.00 0.00 176.35 175.31 1qy7 s GLN 57 N -3.98 4.50 0.31 1.48 -0.21 -1.26 -0.91 119.66 119.59 1qy7 s GLN 57 Ca 0.37 1.90 0.04 0.00 0.02 0.00 0.00 55.36 57.69 1qy7 s GLN 57 Cb 0.07 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 1qy7 s GLN 57 CO 0.14 -0.06 0.30 0.15 -2.12 0.00 0.00 175.29 173.70 1qy7 s LYS 58 N -0.51 1.71 0.01 2.91 1.02 0.04 -4.61 119.74 120.30 1qy7 s LYS 58 Ca 0.52 -1.91 0.05 0.00 0.02 0.00 0.00 55.97 54.65 1qy7 s LYS 58 Cb -0.33 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1qy7 s LYS 58 CO 0.38 -0.64 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.51 1qy7 s LEU 59 N -3.32 2.08 -0.17 3.17 1.43 -0.75 -2.03 118.68 119.09 1qy7 s LEU 59 Ca 0.38 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1qy7 s LEU 59 Cb 0.02 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1qy7 s LEU 59 CO 0.24 0.14 -0.08 -0.75 0.23 0.00 0.00 176.35 176.13 1qy7 s LYS 60 N -0.66 3.42 -0.09 1.70 2.20 0.03 -1.01 119.74 125.33 1qy7 s LYS 60 Ca 0.05 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1qy7 s LYS 60 Cb -0.07 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1qy7 s LYS 60 CO 0.00 0.05 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.85 1qy7 s LEU 61 N 0.82 3.48 -0.04 5.43 0.20 0.69 -1.16 118.68 128.11 1qy7 s LEU 61 Ca -0.03 0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.91 1qy7 s LEU 61 Cb -0.15 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1qy7 s LEU 61 CO 0.01 0.36 -0.08 -1.61 -0.29 0.00 0.00 176.35 174.74 1qy7 s GLU 62 N -0.78 1.07 -0.08 1.98 2.02 -0.04 -1.08 118.70 121.80 1qy7 s GLU 62 Ca 0.12 -0.26 -0.05 0.00 0.02 0.00 0.00 54.97 54.80 1qy7 s GLU 62 Cb -0.11 -0.98 0.03 0.00 0.10 0.00 0.00 34.13 33.17 1qy7 s GLU 62 CO 0.02 0.03 0.18 0.42 0.02 0.00 0.00 175.26 175.94 1qy7 s ILE 63 N 0.51 -0.03 -0.22 -1.63 1.01 -0.35 -0.91 121.20 119.58 1qy7 s ILE 63 Ca -0.08 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 1qy7 s ILE 63 Cb -0.12 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1qy7 s ILE 63 CO 0.01 0.04 0.02 -0.69 0.00 0.00 0.00 174.94 174.32 1qy7 s VAL 64 N 0.74 3.94 0.27 2.92 1.01 -1.26 -0.22 120.40 127.80 1qy7 s VAL 64 Ca -0.05 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1qy7 s VAL 64 Cb -0.07 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1qy7 s VAL 64 CO -0.04 0.39 0.09 0.68 0.00 0.00 0.00 175.10 176.22 1qy7 s VAL 65 N 1.35 0.67 0.48 2.92 -7.23 -0.52 -4.97 120.40 113.09 1qy7 s VAL 65 Ca 0.04 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 1qy7 s VAL 65 Cb -0.15 -2.66 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 1qy7 s VAL 65 CO 0.01 -0.00 1.12 -1.61 -0.31 0.00 0.00 175.10 174.31 1qy7 s GLU 66 N -4.01 3.71 0.40 4.82 2.02 -1.26 -0.98 118.70 123.39 1qy7 s GLU 66 Ca 0.38 1.64 0.18 0.00 0.02 0.00 0.00 54.97 57.18 1qy7 s GLU 66 Cb 0.08 -2.27 1.08 0.00 0.10 0.00 0.00 34.13 33.12 1qy7 s GLU 66 CO 0.14 -0.56 1.78 -0.44 0.02 0.00 0.00 175.26 176.20 1qy7 h ASP 67 N 1.81 0.46 0.68 -0.19 3.45 -1.93 -0.11 116.42 120.59 1qy7 h ASP 67 Ca -0.49 0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.01 1qy7 h ASP 67 Cb 1.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1qy7 h ASP 67 CO 0.59 0.11 -0.14 0.00 -1.57 0.00 0.00 179.24 178.23 1qy7 h ALA 68 N 1.62 1.11 0.00 3.45 0.00 -2.02 -3.09 119.26 120.34 1qy7 h ALA 68 Ca 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1qy7 h ALA 68 Cb 1.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1qy7 h ALA 68 CO -0.28 0.18 -0.62 1.04 0.00 0.00 0.00 179.25 179.57 1qy7 n GLN 69 N -3.42 0.00 -0.06 0.00 6.02 -0.06 -4.58 117.38 115.27 1qy7 n GLN 69 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1qy7 n GLN 69 Cb 0.32 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 1qy7 n GLN 69 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1qy7 h VAL 70 N 0.00 0.03 -1.00 5.09 2.07 -1.51 -1.68 116.25 119.25 1qy7 h VAL 70 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1qy7 h VAL 70 Cb 0.50 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 1qy7 h VAL 70 CO 0.00 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.67 1qy7 h ASP 71 N -0.48 0.95 -0.29 0.57 3.45 -1.83 -0.83 116.42 117.96 1qy7 h ASP 71 Ca 0.07 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 1qy7 h ASP 71 Cb 0.64 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.24 1qy7 h ASP 71 CO -0.50 0.54 0.10 0.74 -1.57 0.00 0.00 179.24 178.55 1qy7 h THR 72 N 1.04 1.19 -0.57 0.35 2.02 -1.72 -1.16 112.91 114.06 1qy7 h THR 72 Ca 0.48 -0.59 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 1qy7 h THR 72 Cb 0.40 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1qy7 h THR 72 CO -0.24 0.20 0.14 0.58 0.37 0.00 0.00 175.52 176.58 1qy7 h VAL 73 N 0.32 1.25 -0.39 3.16 2.07 -0.69 -2.35 116.25 119.61 1qy7 h VAL 73 Ca 0.10 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1qy7 h VAL 73 Cb 0.21 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1qy7 h VAL 73 CO -0.01 0.33 0.24 0.40 0.02 0.00 0.00 177.57 178.55 1qy7 h ILE 74 N 0.81 1.07 -0.77 4.57 2.04 -1.01 -1.33 117.51 122.87 1qy7 h ILE 74 Ca 0.18 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.93 1qy7 h ILE 74 Cb 0.34 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1qy7 h ILE 74 CO 0.00 0.09 0.47 0.44 0.00 0.00 0.00 178.15 179.15 1qy7 h ASP 75 N 0.49 0.72 -0.23 1.72 3.45 -1.03 -0.15 116.42 121.39 1qy7 h ASP 75 Ca 0.15 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1qy7 h ASP 75 Cb -0.03 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 1qy7 h ASP 75 CO -0.05 0.47 0.05 0.11 -1.57 0.00 0.00 179.24 178.25 1qy7 h LYS 76 N 0.86 0.36 -0.33 3.56 1.79 -0.98 -1.67 116.57 120.16 1qy7 h LYS 76 Ca 0.34 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.71 1qy7 h LYS 76 Cb 0.16 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 1qy7 h LYS 76 CO -0.17 0.48 0.16 0.82 -1.08 0.00 0.00 179.45 179.66 1qy7 h ILE 77 N 0.18 1.16 -0.36 1.86 2.04 -0.94 -1.45 117.51 120.01 1qy7 h ILE 77 Ca 0.07 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1qy7 h ILE 77 Cb 0.28 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1qy7 h ILE 77 CO 0.00 0.17 0.24 0.58 0.00 0.00 0.00 178.15 179.14 1qy7 h VAL 78 N 0.40 1.10 -0.70 1.67 2.07 -1.00 0.16 116.25 119.94 1qy7 h VAL 78 Ca 0.11 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1qy7 h VAL 78 Cb 0.13 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1qy7 h VAL 78 CO -0.01 0.09 0.33 0.00 0.02 0.00 0.00 177.57 177.99 1qy7 h ALA 79 N 1.13 0.90 0.00 1.67 0.00 -1.16 -2.52 119.26 119.29 1qy7 h ALA 79 Ca 0.13 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 1qy7 h ALA 79 Cb -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1qy7 h ALA 79 CO -0.03 0.48 -1.13 0.00 0.00 0.00 0.00 179.25 178.56 1qy7 h ALA 80 N 1.15 0.51 0.00 0.00 0.00 -1.04 -3.36 119.26 116.52 1qy7 h ALA 80 Ca 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1qy7 h ALA 80 Cb 0.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qy7 h ALA 80 CO -0.03 1.24 -0.85 0.00 0.00 0.00 0.00 179.25 179.61 1qy7 n ALA 81 N -2.39 3.02 -1.76 0.00 0.00 0.53 -4.54 120.51 115.37 1qy7 n ALA 81 Ca -0.04 -0.30 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 1qy7 n ALA 81 Cb 0.94 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 1qy7 n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1qy7 s ARG 82 N -3.21 4.46 0.00 0.00 3.52 -0.95 -4.87 118.95 117.90 1qy7 s ARG 82 Ca 0.04 2.01 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 1qy7 s ARG 82 Cb 0.13 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1qy7 s ARG 82 CO 0.76 -0.02 0.00 0.25 -0.81 0.00 0.00 175.30 175.48 1qy7 n THR 83 N 0.91 0.00 0.00 4.11 -2.24 -1.26 -5.01 114.28 110.79 1qy7 n THR 83 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1qy7 n THR 83 Cb 0.43 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1qy7 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qy7 n GLY 84 N 1.92 0.70 3.92 3.38 0.00 -1.26 -5.06 105.19 108.78 1qy7 n GLY 84 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1qy7 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qy7 s GLU 85 N -0.81 3.50 0.23 1.61 2.02 -1.26 -5.05 118.70 118.94 1qy7 s GLU 85 Ca 0.00 -0.37 -0.32 0.00 0.02 0.00 0.00 54.97 54.31 1qy7 s GLU 85 Cb 0.00 -2.94 -0.13 0.00 0.10 0.00 0.00 34.13 31.16 1qy7 s GLU 85 CO 0.00 0.51 1.52 -0.89 0.02 0.00 0.00 175.26 176.43 1qy7 n ILE 86 N -0.13 0.67 0.00 -1.63 2.08 -1.26 -3.00 119.36 116.09 1qy7 n ILE 86 Ca -0.05 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.09 1qy7 n ILE 86 Cb 0.52 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 1qy7 n ILE 86 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qy7 n GLY 87 N 2.60 1.14 0.29 7.39 0.00 -1.26 -4.92 105.19 110.43 1qy7 n GLY 87 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 1qy7 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qy7 h ASP 88 N 0.00 0.00 -5.00 1.61 3.45 -1.91 -3.43 116.42 111.13 1qy7 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1qy7 h ASP 88 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1qy7 h ASP 88 CO 0.00 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.33 1qy7 n GLY 89 N -0.88 0.56 3.23 2.75 0.00 -1.26 -4.35 105.19 105.24 1qy7 n GLY 89 Ca -0.02 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 1qy7 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qy7 s LYS 90 N -1.03 1.05 -0.07 1.61 1.02 -1.20 -4.96 119.74 116.17 1qy7 s LYS 90 Ca 0.00 -1.49 0.06 0.00 0.02 0.00 0.00 55.97 54.56 1qy7 s LYS 90 Cb 0.00 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.01 1qy7 s LYS 90 CO 0.00 -0.09 -0.25 0.42 -0.92 0.00 0.00 175.35 174.51 1qy7 s ILE 91 N -3.62 2.05 -0.05 2.17 1.01 -1.26 -1.61 121.20 119.89 1qy7 s ILE 91 Ca 0.21 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1qy7 s ILE 91 Cb 0.06 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1qy7 s ILE 91 CO 0.02 0.57 -0.23 -0.36 0.00 0.00 0.00 174.94 174.93 1qy7 s PHE 92 N -0.07 2.24 -0.12 3.97 0.08 0.62 -4.97 117.98 119.73 1qy7 s PHE 92 Ca -0.07 -0.62 0.01 0.00 0.12 0.00 0.00 56.93 56.38 1qy7 s PHE 92 Cb -0.15 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1qy7 s PHE 92 CO 0.05 -0.17 -0.17 0.08 -0.10 0.00 0.00 175.22 174.91 1qy7 s VAL 93 N -0.21 2.70 0.15 -0.44 1.01 -1.26 -0.74 120.40 121.61 1qy7 s VAL 93 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1qy7 s VAL 93 Cb -0.12 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1qy7 s VAL 93 CO 0.02 0.54 0.05 -0.94 0.00 0.00 0.00 175.10 174.78 1qy7 s SER 94 N 0.35 0.53 0.41 3.32 1.04 -0.05 -4.96 113.70 114.33 1qy7 s SER 94 Ca -0.14 -1.23 -0.20 0.00 0.48 0.00 0.00 55.95 54.86 1qy7 s SER 94 Cb -0.17 0.26 -0.11 0.00 0.10 0.00 0.00 66.02 66.11 1qy7 s SER 94 CO 0.07 -0.71 0.91 -2.16 0.98 0.00 0.00 173.24 172.34 1qy7 s PRO 95 N -4.03 4.21 -0.11 4.02 0.04 -1.26 0.54 135.00 138.40 1qy7 s PRO 95 Ca 0.26 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.35 1qy7 s PRO 95 Cb 0.07 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1qy7 s PRO 95 CO 0.04 0.02 -0.03 0.08 0.04 0.00 0.00 177.00 177.15 1qy7 s VAL 96 N -2.12 0.71 0.10 -0.36 1.01 -0.98 -4.68 120.40 114.07 1qy7 s VAL 96 Ca 0.60 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1qy7 s VAL 96 Cb -0.10 -0.87 -0.23 0.00 0.00 0.00 0.00 36.38 35.19 1qy7 s VAL 96 CO 0.14 0.22 1.21 0.44 0.00 0.00 0.00 175.10 177.11 1qy7 h ASP 97 N 8.24 0.11 -4.98 3.32 3.32 -1.96 -3.00 116.42 121.46 1qy7 h ASP 97 Ca -0.23 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.68 1qy7 h ASP 97 Cb 1.12 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 1qy7 h ASP 97 CO 0.34 1.09 0.22 0.00 -1.72 0.00 0.00 179.24 179.17 1qy7 s GLN 98 N -2.69 1.22 0.03 3.56 -2.07 -1.26 -0.78 119.66 117.67 1qy7 s GLN 98 Ca -0.01 -0.31 0.05 0.00 -1.82 0.00 0.00 55.36 53.27 1qy7 s GLN 98 Cb 0.09 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.56 1qy7 s GLN 98 CO 0.84 -0.50 -0.14 0.95 -1.32 0.00 0.00 175.29 175.11 1qy7 s THR 99 N -3.19 1.11 -0.05 3.63 -4.23 0.01 -5.00 115.64 107.91 1qy7 s THR 99 Ca -0.01 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.58 1qy7 s THR 99 Cb -0.01 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.86 1qy7 s THR 99 CO -0.08 0.06 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.35 1qy7 s ILE 100 N -0.76 0.81 -0.32 2.99 1.09 -1.26 -1.61 121.20 122.14 1qy7 s ILE 100 Ca 0.02 -0.28 -0.22 0.00 -1.10 0.00 0.00 60.65 59.07 1qy7 s ILE 100 Cb -0.07 -0.78 -0.00 0.00 -1.06 0.00 0.00 42.46 40.54 1qy7 s ILE 100 CO 0.01 0.28 0.72 -0.60 -0.10 0.00 0.00 174.94 175.26 1qy7 s ARG 101 N 0.81 3.87 0.19 2.79 3.52 -0.25 -4.96 118.95 124.92 1qy7 s ARG 101 Ca -0.13 0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 55.75 1qy7 s ARG 101 Cb -0.15 -3.75 0.20 0.00 -1.56 0.00 0.00 34.95 29.69 1qy7 s ARG 101 CO 0.02 -0.69 1.77 0.82 -0.81 0.00 0.00 175.30 176.41 1qy7 h ILE 102 N 5.62 0.89 -0.77 4.11 2.04 -1.95 0.37 117.51 127.82 1qy7 h ILE 102 Ca -0.25 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1qy7 h ILE 102 Cb 1.10 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1qy7 h ILE 102 CO 0.86 0.09 0.45 -0.09 0.00 0.00 0.00 178.15 179.46 1qy7 h ARG 103 N 0.49 0.80 0.00 2.37 2.43 -1.99 -3.32 114.38 115.17 1qy7 h ARG 103 Ca 0.26 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1qy7 h ARG 103 Cb 0.23 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1qy7 h ARG 103 CO -0.21 0.53 -1.69 0.25 -1.51 0.00 0.00 179.97 177.34 1qy7 n THR 104 N -4.71 0.34 -0.52 0.20 -2.24 -1.16 -4.99 114.28 101.19 1qy7 n THR 104 Ca 0.11 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1qy7 n THR 104 Cb 0.19 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1qy7 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qy7 n GLY 105 N 1.97 0.76 3.73 3.38 0.00 0.13 -5.02 105.19 110.14 1qy7 n GLY 105 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1qy7 n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qy7 n GLU 106 N -2.06 2.26 -4.30 1.61 1.02 -1.23 -4.70 120.64 113.25 1qy7 n GLU 106 Ca 0.00 0.80 -0.24 0.00 -0.02 0.00 0.00 57.16 57.69 1qy7 n GLU 106 Cb 0.00 -2.46 -0.12 0.00 -0.02 0.00 0.00 31.44 28.84 1qy7 n GLU 106 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qy7 s LYS 107 N -2.04 1.15 -0.11 3.49 1.02 -1.26 -1.09 119.74 120.91 1qy7 s LYS 107 Ca 0.56 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 55.33 1qy7 s LYS 107 Cb -0.52 -1.42 0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1qy7 s LYS 107 CO 0.62 0.33 0.03 1.21 -0.92 0.00 0.00 175.35 176.62 1qy7 s ASN 108 N -1.97 1.90 0.04 2.83 3.84 -0.63 -5.00 114.94 115.95 1qy7 s ASN 108 Ca 0.08 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 52.89 1qy7 s ASN 108 Cb -0.10 -0.39 -0.02 0.00 -0.55 0.00 0.00 41.25 40.19 1qy7 s ASN 108 CO 0.05 -0.25 -0.10 0.00 -2.79 0.00 0.00 177.10 174.00 1qy7 s ALA 109 N 2.01 0.81 0.53 1.71 0.00 -1.26 -0.81 121.76 124.75 1qy7 s ALA 109 Ca 0.03 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 1qy7 s ALA 109 Cb -0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 1qy7 s ALA 109 CO -0.06 0.08 1.02 -0.51 0.00 0.00 0.00 175.76 176.30 1qy7 s ASP 110 N -1.36 6.28 0.02 0.00 -0.00 0.04 -5.01 116.67 116.65 1qy7 s ASP 110 Ca -0.04 1.75 -0.01 0.00 -0.00 0.00 0.00 52.55 54.25 1qy7 s ASP 110 Cb -0.09 -2.53 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 1qy7 s ASP 110 CO 0.01 -0.82 0.15 0.00 -0.00 0.00 0.00 175.17 174.51 1qy7 s ALA 111 N -2.37 3.83 -2.00 5.23 0.00 -1.26 -5.02 121.76 120.17 1qy7 s ALA 111 Ca 0.63 -0.84 0.10 0.00 0.00 0.00 0.00 51.96 51.84 1qy7 s ALA 111 Cb -0.13 -1.74 0.58 0.00 0.00 0.00 0.00 23.12 21.83 1qy7 s ALA 111 CO 0.29 0.76 1.03 0.44 0.00 0.00 0.00 175.76 178.28