#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 -0.11 -2.32 119.74 117.57 1qy7 s LYS 2 Ca 0.00 -0.66 -0.07 0.00 -1.36 0.00 0.00 55.97 53.88 1qy7 s LYS 2 Cb 0.00 -0.39 -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 -1.29 3.89 -0.19 1.68 2.47 0.19 -1.40 119.74 125.09 1qy7 s LYS 3 Ca -0.07 -0.38 -0.03 0.00 -1.56 0.00 0.00 55.97 53.93 1qy7 s LYS 3 Cb -0.08 -3.20 -0.01 0.00 -1.46 0.00 0.00 37.83 33.08 1qy7 s LYS 3 CO 0.00 0.20 -0.07 0.42 0.16 0.00 0.00 175.35 176.06 1qy7 s ILE 4 N 0.56 3.26 -0.05 5.43 1.01 0.76 -0.79 121.20 131.38 1qy7 s ILE 4 Ca 0.02 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.18 1qy7 s ILE 4 Cb -0.13 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1qy7 s ILE 4 CO 0.01 0.46 -0.23 -1.61 0.00 0.00 0.00 174.94 173.58 1qy7 s GLU 5 N 1.05 2.26 -0.02 2.79 2.02 0.03 -1.20 118.70 125.63 1qy7 s GLU 5 Ca 0.00 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.20 1qy7 s GLU 5 Cb -0.15 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 32.14 1qy7 s GLU 5 CO -0.01 0.35 -0.07 0.00 0.02 0.00 0.00 175.26 175.56 1qy7 s ALA 6 N -0.14 0.66 -0.33 5.21 0.00 -0.23 -0.30 121.76 126.63 1qy7 s ALA 6 Ca -0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.63 1qy7 s ALA 6 Cb -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1qy7 s ALA 6 CO 0.03 0.09 0.14 0.42 0.00 0.00 0.00 175.76 176.45 1qy7 s ILE 7 N 0.26 4.32 0.37 0.00 -1.09 -0.60 -0.21 121.20 124.25 1qy7 s ILE 7 Ca -0.03 -0.72 0.05 0.00 -2.23 0.00 0.00 60.65 57.72 1qy7 s ILE 7 Cb -0.08 -3.31 -0.06 0.00 -1.58 0.00 0.00 42.46 37.43 1qy7 s ILE 7 CO 0.00 -0.05 0.04 0.27 -1.23 0.00 0.00 174.94 173.97 1qy7 s ILE 8 N 1.54 1.45 0.21 2.92 -4.36 -0.15 -3.27 121.20 119.53 1qy7 s ILE 8 Ca 0.02 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.12 1qy7 s ILE 8 Cb -0.18 -2.81 -0.08 0.00 1.25 0.00 0.00 42.46 40.63 1qy7 s ILE 8 CO 0.05 0.00 1.18 -0.13 0.24 0.00 0.00 174.94 176.28 1qy7 s ARG 9 N -3.82 4.51 0.28 0.37 0.52 -1.26 -1.80 118.95 117.75 1qy7 s ARG 9 Ca 0.34 1.88 0.02 0.00 -0.52 0.00 0.00 55.73 57.44 1qy7 s ARG 9 Cb 0.08 -3.22 0.62 0.00 0.52 0.00 0.00 34.95 32.95 1qy7 s ARG 9 CO 0.16 -0.03 1.76 -1.35 0.02 0.00 0.00 175.30 175.86 1qy7 h PRO 10 N 4.84 0.63 0.00 3.54 0.11 -1.90 -1.75 132.00 137.47 1qy7 h PRO 10 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qy7 h PRO 10 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1qy7 h PRO 10 CO 0.72 0.42 0.00 1.97 -0.21 0.00 0.00 178.00 180.90 1qy7 n PHE 11 N -4.86 0.26 1.34 0.65 1.16 -1.26 -2.04 117.46 112.72 1qy7 n PHE 11 Ca 0.19 0.11 0.13 0.00 -1.87 0.00 0.00 57.45 56.01 1qy7 n PHE 11 Cb 0.50 -0.67 0.43 0.00 -1.61 0.00 0.00 39.48 38.12 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 -1.74 1.25 0.05 3.97 4.76 -0.66 -4.53 118.16 121.26 1qy7 n LYS 12 Ca 0.03 -0.75 -0.16 0.00 -2.87 0.00 0.00 58.31 54.56 1qy7 n LYS 12 Cb 0.17 -1.48 -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 1.84 -1.68 -1.28 -0.35 5.85 -1.51 -1.75 115.31 116.43 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 0.52 0.64 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1qy7 h LEU 13 CO 0.00 -0.52 0.50 0.44 -0.34 0.00 0.00 178.44 178.52 1qy7 h ASP 14 N -0.66 0.81 -0.01 1.25 3.45 -1.84 0.46 116.42 119.88 1qy7 h ASP 14 Ca 0.01 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1qy7 h ASP 14 Cb 0.72 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1qy7 h ASP 14 CO -0.37 0.56 0.00 -0.08 -1.57 0.00 0.00 179.24 177.78 1qy7 h GLU 15 N 0.95 0.01 -0.28 3.56 4.81 -1.75 -0.47 114.58 121.40 1qy7 h GLU 15 Ca 0.30 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1qy7 h GLU 15 Cb 0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1qy7 h GLU 15 CO -0.08 0.17 0.09 0.28 -0.73 0.00 0.00 179.01 178.73 1qy7 h VAL 16 N -0.15 1.20 -0.04 0.32 2.07 -1.04 -1.53 116.25 117.09 1qy7 h VAL 16 Ca 0.00 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1qy7 h VAL 16 Cb 0.16 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1qy7 h VAL 16 CO -0.00 0.21 -0.11 0.50 0.02 0.00 0.00 177.57 178.19 1qy7 h LYS 17 N 0.29 -0.16 -0.60 1.57 3.64 -0.84 -1.60 116.57 118.86 1qy7 h LYS 17 Ca 0.09 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1qy7 h LYS 17 Cb 0.24 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1qy7 h LYS 17 CO -0.00 -0.11 0.02 0.82 -2.27 0.00 0.00 179.45 177.91 1qy7 h ILE 18 N -0.17 1.26 -0.84 2.00 2.04 -1.07 -1.62 117.51 119.12 1qy7 h ILE 18 Ca 0.05 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.81 1qy7 h ILE 18 Cb 0.24 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1qy7 h ILE 18 CO -0.14 0.41 0.55 0.00 0.00 0.00 0.00 178.15 178.97 1qy7 h ALA 19 N 0.99 1.07 -0.11 1.87 0.00 -1.06 0.30 119.26 122.32 1qy7 h ALA 19 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1qy7 h ALA 19 Cb 0.53 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1qy7 h ALA 19 CO 0.03 0.43 -0.09 -0.07 0.00 0.00 0.00 179.25 179.54 1qy7 h LEU 20 N 1.10 0.27 -0.78 0.00 4.07 -1.10 -2.44 115.31 116.42 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 -0.09 0.68 0.51 0.58 -1.08 0.00 0.00 178.44 179.04 1qy7 h VAL 21 N -0.14 1.20 0.00 1.22 2.07 -1.12 0.17 116.25 119.65 1qy7 h VAL 21 Ca 0.02 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1qy7 h VAL 21 Cb 0.60 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1qy7 h VAL 21 CO 0.02 0.20 -0.03 0.78 0.02 0.00 0.00 177.57 178.57 1qy7 h ASN 22 N 1.06 0.00 -0.18 0.57 2.35 -0.92 -0.84 115.58 117.62 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 0.00 177.43 175.74 1qy7 n ALA 23 N -2.12 2.51 -0.56 -0.83 0.00 -0.51 -4.91 120.51 114.09 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 0.23 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 3.21 0.00 0.00 -0.32 -5.05 105.19 104.91 1qy7 n GLY 24 Ca 0.17 -0.48 -0.39 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 3.82 -0.23 -0.61 -1.09 0.48 -4.94 121.20 116.62 1qy7 s ILE 25 Ca 0.00 -1.65 0.02 0.00 -2.23 0.00 0.00 60.65 56.79 1qy7 s ILE 25 Cb 0.00 -3.43 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1qy7 s ILE 25 CO 0.00 -0.56 0.82 1.33 -1.23 0.00 0.00 174.94 175.30 1qy7 n VAL 26 N 4.79 0.52 -0.35 2.92 0.24 -1.26 -2.92 118.33 122.27 1qy7 n VAL 26 Ca -0.08 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.41 1qy7 n VAL 26 Cb 0.42 0.76 0.19 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 -0.09 3.07 3.82 7.63 0.00 -1.26 -4.97 105.19 113.39 1qy7 n GLY 27 Ca 0.02 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.15 4.23 0.03 1.61 0.23 -1.26 -4.61 119.30 117.36 1qy7 s MET 28 Ca 0.37 1.14 0.06 0.00 -1.03 0.00 0.00 55.69 56.23 1qy7 s MET 28 Cb 0.29 -2.21 -0.02 0.00 -1.53 0.00 0.00 34.83 31.36 1qy7 s MET 28 CO 0.09 -0.03 -0.18 0.95 -2.03 0.00 0.00 175.02 173.82 1qy7 s THR 29 N -2.14 1.40 -0.03 3.16 -4.23 -0.09 -4.97 115.64 108.75 1qy7 s THR 29 Ca 0.62 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.18 1qy7 s THR 29 Cb -0.10 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 1qy7 s THR 29 CO 0.14 0.19 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.54 1qy7 s VAL 30 N -0.70 1.50 0.06 2.29 1.01 -1.26 -0.87 120.40 122.43 1qy7 s VAL 30 Ca 0.05 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1qy7 s VAL 30 Cb -0.08 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1qy7 s VAL 30 CO 0.01 0.43 -0.10 -0.94 0.00 0.00 0.00 175.10 174.49 1qy7 s SER 31 N -0.19 1.23 0.01 3.32 1.04 -0.35 -4.98 113.70 113.79 1qy7 s SER 31 Ca 0.01 -0.61 -0.23 0.00 0.48 0.00 0.00 55.95 55.60 1qy7 s SER 31 Cb -0.10 0.00 -0.05 0.00 0.10 0.00 0.00 66.02 65.97 1qy7 s SER 31 CO 0.01 -0.17 0.70 -1.61 0.98 0.00 0.00 173.24 173.15 1qy7 s GLU 32 N -1.80 4.43 0.23 4.02 2.02 -1.26 -0.74 118.70 125.59 1qy7 s GLU 32 Ca -0.05 0.92 0.01 0.00 0.02 0.00 0.00 54.97 55.87 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 0.27 0.14 0.14 0.02 0.00 0.00 175.26 175.85 1qy7 s VAL 33 N 0.04 0.10 0.06 2.63 -7.23 -0.86 -4.92 120.40 110.23 1qy7 s VAL 33 Ca 0.36 -2.00 0.08 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 0.00 175.10 174.66 1qy7 s ARG 34 N -4.03 1.27 0.34 4.82 0.52 -1.26 -0.78 118.95 119.82 1qy7 s ARG 34 Ca 0.39 -1.01 -0.15 0.00 -0.52 0.00 0.00 55.73 54.43 1qy7 s ARG 34 Cb 0.06 -1.44 0.03 0.00 0.52 0.00 0.00 34.95 34.13 1qy7 s ARG 34 CO 0.14 0.36 0.70 0.20 0.02 0.00 0.00 175.30 176.72 1qy7 s GLY 35 N -1.44 0.42 0.21 -3.53 0.00 -0.03 -4.92 107.32 98.03 1qy7 s GLY 35 Ca 0.07 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 1qy7 s GLY 35 CO 0.03 -0.38 0.71 -1.36 0.00 0.00 0.00 173.10 172.09 1qy7 s PHE 36 N -2.99 3.66 0.17 1.90 0.40 -1.26 -0.18 117.98 119.68 1qy7 s PHE 36 Ca 0.17 1.37 -0.13 0.00 -0.60 0.00 0.00 56.93 57.74 1qy7 s PHE 36 Cb -0.04 -2.60 0.01 0.00 0.51 0.00 0.00 43.02 40.90 1qy7 s PHE 36 CO 0.11 0.36 0.39 0.20 0.70 0.00 0.00 175.22 176.98 1qy7 s GLY 37 N -1.61 0.14 0.35 4.36 0.00 0.13 -4.91 107.32 105.78 1qy7 s GLY 37 Ca 0.42 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 1qy7 s GLY 37 CO 0.21 -0.54 0.69 0.50 0.00 0.00 0.00 173.10 173.96 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 55.69 1qy7 s ARG 38 Cb 0.01 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 33.05 1qy7 s ARG 38 CO -0.03 0.09 0.05 -1.14 0.02 0.00 0.00 175.30 174.29 1qy7 s GLN 39 N -3.52 0.16 0.38 3.54 0.74 0.09 -4.89 119.66 116.17 1qy7 s GLN 39 Ca 0.50 0.15 -0.27 0.00 0.05 0.00 0.00 55.36 55.79 1qy7 s GLN 39 Cb -0.10 -1.06 -0.11 0.00 1.10 0.00 0.00 33.01 32.84 1qy7 s GLN 39 CO 0.27 -0.43 1.31 1.63 -0.55 0.00 0.00 175.29 177.53 1qy7 n LYS 40 N 5.24 2.12 -3.42 1.67 4.76 -1.26 -1.52 118.16 125.76 1qy7 n LYS 40 Ca -0.05 0.75 -0.21 0.00 -2.87 0.00 0.00 58.31 55.93 1qy7 n LYS 40 Cb 0.50 -2.41 -0.00 0.00 -1.84 0.00 0.00 35.03 31.27 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 -0.39 2.07 0.27 0.72 0.00 0.55 -4.85 107.32 105.70 1qy7 s GLY 41 Ca 0.58 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 43.22 1qy7 s GLY 41 CO 0.60 -1.70 1.05 1.20 0.00 0.00 0.00 173.10 174.25 1qy7 s GLN 42 N -4.29 4.68 0.03 2.90 -0.21 -1.26 -4.76 119.66 116.75 1qy7 s GLN 42 Ca 0.49 1.69 -0.28 0.00 0.02 0.00 0.00 55.36 57.28 1qy7 s GLN 42 Cb -0.05 -3.18 0.09 0.00 1.00 0.00 0.00 33.01 30.88 1qy7 s GLN 42 CO 0.30 0.29 0.98 -0.08 -2.12 0.00 0.00 175.29 174.66 1qy7 s THR 43 N -1.20 0.00 0.00 -0.19 -1.32 -1.26 -4.87 115.64 106.80 1qy7 s THR 43 Ca 0.44 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1qy7 s THR 43 Cb -0.29 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 1qy7 s THR 43 CO 0.37 0.00 0.15 -0.62 -2.21 0.00 0.00 174.62 172.31 1qy7 n GLU 44 N -0.33 4.26 0.09 7.08 1.02 -1.26 -4.81 120.64 126.68 1qy7 n GLU 44 Ca -0.07 -0.15 -0.04 0.00 -0.02 0.00 0.00 57.16 56.89 1qy7 n GLU 44 Cb 0.61 -0.63 -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 -0.24 -1.68 3.49 3.08 -2.01 -3.49 114.38 113.52 1qy7 h ARG 45 Ca 0.00 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.27 1qy7 h ARG 45 Cb 0.01 0.05 -0.19 0.00 0.08 0.00 0.00 29.97 29.93 1qy7 h ARG 45 CO 0.00 -0.16 0.71 1.52 -1.07 0.00 0.00 179.97 180.97 1qy7 s TYR 46 N -2.54 -0.20 -0.09 3.04 -0.85 -1.26 -5.07 117.35 110.38 1qy7 s TYR 46 Ca -0.04 0.16 -0.37 0.00 -0.52 0.00 0.00 57.07 56.30 1qy7 s TYR 46 Cb 0.00 0.51 -0.15 0.00 0.38 0.00 0.00 41.96 42.71 1qy7 s TYR 46 CO 0.11 -0.30 1.66 -2.13 -1.52 0.00 0.00 175.55 173.37 1qy7 n ARG 47 N -0.03 1.53 -1.00 -3.49 0.63 -1.26 -1.08 116.66 111.96 1qy7 n ARG 47 Ca -0.03 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 1qy7 n ARG 47 Cb 0.59 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.22 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 3.74 0.56 0.31 5.14 0.00 -1.26 -4.90 105.19 108.78 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 1.84 -2.91 4.61 0.00 -1.46 -3.42 119.26 117.92 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 0.01 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.58 1qy7 h ALA 49 CO 0.00 -0.19 -0.41 -1.21 0.00 0.00 0.00 179.25 177.45 1qy7 s GLU 50 N -4.77 0.41 0.10 0.00 2.02 -1.26 -5.06 118.70 110.14 1qy7 s GLU 50 Ca -0.05 0.07 -0.27 0.00 0.02 0.00 0.00 54.97 54.74 1qy7 s GLU 50 Cb 0.16 0.19 0.08 0.00 0.10 0.00 0.00 34.13 34.66 1qy7 s GLU 50 CO 0.59 -0.08 1.05 1.52 0.02 0.00 0.00 175.26 178.36 1qy7 s TYR 51 N -0.52 -0.11 0.22 1.61 -0.85 -1.26 -0.33 117.35 116.11 1qy7 s TYR 51 Ca -0.06 -0.13 0.10 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 42.87 1qy7 s TYR 51 CO 0.01 -0.66 -0.20 0.95 -1.52 0.00 0.00 175.55 174.14 1qy7 s THR 52 N -3.03 2.18 -0.30 -3.49 -4.23 -0.57 -4.91 115.64 101.28 1qy7 s THR 52 Ca 0.13 -2.19 -0.10 0.00 -1.18 0.00 0.00 61.69 58.35 1qy7 s THR 52 Cb 0.00 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 1qy7 s THR 52 CO 0.00 -0.36 0.16 -0.69 -0.54 0.00 0.00 174.62 173.20 1qy7 s VAL 53 N -2.31 4.79 0.30 2.29 1.01 -1.26 -0.73 120.40 124.48 1qy7 s VAL 53 Ca 0.24 -0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.08 1qy7 s VAL 53 Cb -0.05 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1qy7 s VAL 53 CO 0.11 0.13 -0.14 -1.61 0.00 0.00 0.00 175.10 173.59 1qy7 s GLU 54 N 1.66 1.82 -0.38 2.72 0.41 0.37 -4.91 118.70 120.39 1qy7 s GLU 54 Ca 0.06 -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 0.28 0.59 0.12 -0.49 0.00 0.00 175.26 175.83 1qy7 s PHE 55 N -2.51 3.14 0.28 1.61 5.99 -1.26 -0.70 117.98 124.53 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 -0.03 -3.12 -0.05 0.00 0.00 0.00 0.00 43.02 39.82 1qy7 s PHE 55 CO 0.16 -0.67 0.10 -0.48 -0.00 0.00 0.00 175.22 174.34 1qy7 s LEU 56 N 2.61 1.69 0.19 6.12 0.05 0.74 -4.91 118.68 125.17 1qy7 s LEU 56 Ca 0.21 -1.42 -0.30 0.00 0.05 0.00 0.00 54.13 52.67 1qy7 s LEU 56 Cb -0.15 0.02 -0.08 0.00 -2.05 0.00 0.00 46.19 43.93 1qy7 s LEU 56 CO 0.15 -0.75 1.19 -1.10 -0.55 0.00 0.00 176.35 175.29 1qy7 s GLN 57 N -3.98 4.50 0.31 1.48 -0.21 -1.26 -0.85 119.66 119.65 1qy7 s GLN 57 Ca 0.37 1.87 0.05 0.00 0.02 0.00 0.00 55.36 57.67 1qy7 s GLN 57 Cb 0.07 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.82 1qy7 s GLN 57 CO 0.14 -0.07 0.27 0.15 -2.12 0.00 0.00 175.29 173.67 1qy7 s LYS 58 N -0.35 1.68 0.01 2.91 1.02 0.04 -4.61 119.74 120.44 1qy7 s LYS 58 Ca 0.52 -1.93 0.05 0.00 0.02 0.00 0.00 55.97 54.63 1qy7 s LYS 58 Cb -0.33 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1qy7 s LYS 58 CO 0.37 -0.62 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.51 1qy7 s LEU 59 N -3.33 2.08 -0.17 3.17 1.43 -0.75 -2.03 118.68 119.09 1qy7 s LEU 59 Ca 0.39 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1qy7 s LEU 59 Cb 0.03 -0.76 -0.01 0.00 0.03 0.00 0.00 46.19 45.48 1qy7 s LEU 59 CO 0.25 0.14 -0.07 -0.75 0.23 0.00 0.00 176.35 176.15 1qy7 s LYS 60 N -0.66 3.45 -0.09 1.70 2.20 0.08 -0.98 119.74 125.43 1qy7 s LYS 60 Ca 0.05 -0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 1qy7 s LYS 60 Cb -0.07 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1qy7 s LYS 60 CO 0.00 0.05 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.85 1qy7 s LEU 61 N 0.82 3.46 -0.04 5.43 0.20 0.70 -1.21 118.68 128.04 1qy7 s LEU 61 Ca -0.02 0.08 0.02 0.00 0.69 0.00 0.00 54.13 54.90 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 0.35 -0.09 -1.61 -0.29 0.00 0.00 176.35 174.72 1qy7 s GLU 62 N -0.71 1.17 -0.08 1.98 2.02 -0.05 -1.06 118.70 121.97 1qy7 s GLU 62 Ca 0.11 -0.30 -0.05 0.00 0.02 0.00 0.00 54.97 54.75 1qy7 s GLU 62 Cb -0.12 -1.05 0.03 0.00 0.10 0.00 0.00 34.13 33.09 1qy7 s GLU 62 CO 0.02 0.05 0.19 0.42 0.02 0.00 0.00 175.26 175.96 1qy7 s ILE 63 N 0.49 -0.02 -0.23 -1.63 1.01 -0.34 -0.91 121.20 119.57 1qy7 s ILE 63 Ca -0.09 0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 1qy7 s ILE 63 Cb -0.12 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 1qy7 s ILE 63 CO 0.01 0.04 0.01 -0.69 0.00 0.00 0.00 174.94 174.31 1qy7 s VAL 64 N 0.72 3.87 0.27 2.92 1.01 -1.26 -0.17 120.40 127.76 1qy7 s VAL 64 Ca -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1qy7 s VAL 64 Cb -0.07 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1qy7 s VAL 64 CO -0.04 0.39 0.08 0.68 0.00 0.00 0.00 175.10 176.22 1qy7 s VAL 65 N 1.41 0.69 0.48 2.92 -7.23 -0.50 -4.97 120.40 113.20 1qy7 s VAL 65 Ca 0.05 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 1qy7 s VAL 65 Cb -0.15 -2.64 -0.07 0.00 0.56 0.00 0.00 36.38 34.08 1qy7 s VAL 65 CO 0.01 -0.02 1.12 -1.61 -0.31 0.00 0.00 175.10 174.29 1qy7 s GLU 66 N -4.00 3.69 0.40 4.82 2.02 -1.26 -0.93 118.70 123.44 1qy7 s GLU 66 Ca 0.37 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 1.09 0.00 0.10 0.00 0.00 34.13 33.13 1qy7 s GLU 66 CO 0.14 -0.57 1.78 -0.44 0.02 0.00 0.00 175.26 176.18 1qy7 h ASP 67 N 1.79 0.45 0.67 -0.19 3.45 -1.93 -0.21 116.42 120.46 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 0.10 -0.15 0.00 -1.57 0.00 0.00 179.24 178.21 1qy7 h ALA 68 N 1.62 1.12 -0.00 3.45 0.00 -2.02 -3.09 119.26 120.34 1qy7 h ALA 68 Ca 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1qy7 h ALA 68 Cb 1.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1qy7 h ALA 68 CO -0.29 0.19 -0.60 1.04 0.00 0.00 0.00 179.25 179.59 1qy7 n GLN 69 N -3.44 0.02 -0.05 0.00 6.02 -0.09 -4.59 117.38 115.24 1qy7 n GLN 69 Ca -0.01 -0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.83 1qy7 n GLN 69 Cb 0.33 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 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 0.03 0.02 -1.00 5.09 2.07 -1.52 -1.70 116.25 119.25 1qy7 h VAL 70 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1qy7 h VAL 70 Cb 0.50 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 1qy7 h VAL 70 CO 0.00 0.00 0.63 0.44 0.02 0.00 0.00 177.57 178.66 1qy7 h ASP 71 N -0.51 0.92 -0.29 0.57 3.45 -1.83 -0.87 116.42 117.86 1qy7 h ASP 71 Ca 0.05 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 1qy7 h ASP 71 Cb 0.65 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1qy7 h ASP 71 CO -0.49 0.50 0.10 0.74 -1.57 0.00 0.00 179.24 178.51 1qy7 h THR 72 N 0.99 1.20 -0.57 0.35 2.02 -1.72 -1.17 112.91 114.00 1qy7 h THR 72 Ca 0.49 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1qy7 h THR 72 Cb 0.47 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1qy7 h THR 72 CO -0.25 0.21 0.16 0.58 0.37 0.00 0.00 175.52 176.58 1qy7 h VAL 73 N 0.31 1.24 -0.39 3.16 2.07 -0.67 -2.39 116.25 119.58 1qy7 h VAL 73 Ca 0.09 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1qy7 h VAL 73 Cb 0.23 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1qy7 h VAL 73 CO -0.00 0.32 0.24 0.40 0.02 0.00 0.00 177.57 178.54 1qy7 h ILE 74 N 0.80 1.06 -0.76 4.57 2.04 -1.03 -1.37 117.51 122.82 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 0.32 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 1qy7 h ILE 74 CO -0.00 0.09 0.45 0.44 0.00 0.00 0.00 178.15 179.13 1qy7 h ASP 75 N 0.49 0.70 -0.18 1.72 3.45 -1.04 -0.09 116.42 121.47 1qy7 h ASP 75 Ca 0.15 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 1qy7 h ASP 75 Cb -0.02 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1qy7 h ASP 75 CO -0.06 0.45 0.05 0.11 -1.57 0.00 0.00 179.24 178.22 1qy7 h LYS 76 N 0.84 0.29 -0.34 3.56 1.79 -0.99 -1.60 116.57 120.12 1qy7 h LYS 76 Ca 0.33 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 1qy7 h LYS 76 Cb 0.16 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1qy7 h LYS 76 CO -0.17 0.42 0.17 0.82 -1.08 0.00 0.00 179.45 179.62 1qy7 h ILE 77 N 0.10 1.15 -0.40 1.86 2.04 -0.94 -1.32 117.51 120.00 1qy7 h ILE 77 Ca 0.06 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1qy7 h ILE 77 Cb 0.26 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1qy7 h ILE 77 CO 0.00 0.15 0.27 0.58 0.00 0.00 0.00 178.15 179.15 1qy7 h VAL 78 N 0.41 1.10 -0.63 1.67 2.07 -0.99 0.19 116.25 120.07 1qy7 h VAL 78 Ca 0.12 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1qy7 h VAL 78 Cb 0.09 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1qy7 h VAL 78 CO -0.02 0.10 0.28 0.00 0.02 0.00 0.00 177.57 177.95 1qy7 h ALA 79 N 1.15 0.82 0.00 1.67 0.00 -1.12 -2.55 119.26 119.23 1qy7 h ALA 79 Ca 0.15 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1qy7 h ALA 79 Cb -0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1qy7 h ALA 79 CO -0.03 0.41 -1.11 0.00 0.00 0.00 0.00 179.25 178.51 1qy7 h ALA 80 N 1.12 0.48 0.00 0.00 0.00 -1.02 -3.36 119.26 116.49 1qy7 h ALA 80 Ca 0.21 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1qy7 h ALA 80 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1qy7 h ALA 80 CO -0.02 1.25 -0.81 0.00 0.00 0.00 0.00 179.25 179.66 1qy7 n ALA 81 N -2.38 3.02 -1.76 0.00 0.00 0.63 -4.55 120.51 115.47 1qy7 n ALA 81 Ca -0.04 -0.30 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 1qy7 n ALA 81 Cb 0.94 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -3.20 4.48 0.00 0.00 3.52 -0.96 -4.87 118.95 117.92 1qy7 s ARG 82 Ca 0.04 2.00 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1qy7 s ARG 82 Cb 0.13 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1qy7 s ARG 82 CO 0.76 0.00 0.00 0.25 -0.81 0.00 0.00 175.30 175.50 1qy7 n THR 83 N 0.95 0.00 0.00 4.11 -2.24 -1.26 -5.02 114.28 110.83 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 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.93 0.71 3.92 3.38 0.00 -1.26 -5.06 105.19 108.81 1qy7 n GLY 84 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.77 3.48 0.23 1.61 2.02 -1.26 -5.05 118.70 118.97 1qy7 s GLU 85 Ca 0.00 -0.39 -0.32 0.00 0.02 0.00 0.00 54.97 54.28 1qy7 s GLU 85 Cb 0.00 -2.96 -0.13 0.00 0.10 0.00 0.00 34.13 31.14 1qy7 s GLU 85 CO 0.00 0.54 1.50 -0.89 0.02 0.00 0.00 175.26 176.43 1qy7 n ILE 86 N -0.04 0.68 0.00 -1.63 2.08 -1.26 -2.99 119.36 116.19 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 -1.60 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 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 2.56 1.09 0.30 7.39 0.00 -1.26 -4.92 105.19 110.36 1qy7 n GLY 87 Ca 0.13 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 0.04 0.00 0.61 -1.57 0.00 0.00 179.24 178.32 1qy7 n GLY 89 N -0.95 0.60 3.22 2.75 0.00 -1.26 -4.35 105.19 105.21 1qy7 n GLY 89 Ca -0.02 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.09 1.03 -0.06 1.61 1.02 -1.20 -4.96 119.74 116.09 1qy7 s LYS 90 Ca 0.00 -1.47 0.06 0.00 0.02 0.00 0.00 55.97 54.58 1qy7 s LYS 90 Cb 0.00 -0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1qy7 s LYS 90 CO 0.00 -0.08 -0.24 0.42 -0.92 0.00 0.00 175.35 174.52 1qy7 s ILE 91 N -3.62 2.10 -0.05 2.17 1.01 -1.26 -1.56 121.20 119.99 1qy7 s ILE 91 Ca 0.20 -1.05 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1qy7 s ILE 91 Cb 0.06 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1qy7 s ILE 91 CO 0.01 0.57 -0.22 -0.36 0.00 0.00 0.00 174.94 174.94 1qy7 s PHE 92 N -0.13 2.12 -0.12 3.97 0.08 0.59 -4.97 117.98 119.52 1qy7 s PHE 92 Ca -0.05 -0.60 0.01 0.00 0.12 0.00 0.00 56.93 56.41 1qy7 s PHE 92 Cb -0.14 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 40.90 1qy7 s PHE 92 CO 0.04 -0.18 -0.16 0.08 -0.10 0.00 0.00 175.22 174.90 1qy7 s VAL 93 N -0.13 2.81 0.15 -0.44 1.01 -1.26 -0.79 120.40 121.75 1qy7 s VAL 93 Ca -0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1qy7 s VAL 93 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1qy7 s VAL 93 CO 0.03 0.53 0.05 -0.94 0.00 0.00 0.00 175.10 174.77 1qy7 s SER 94 N 0.31 0.56 0.41 3.32 1.04 0.03 -4.96 113.70 114.41 1qy7 s SER 94 Ca -0.12 -1.21 -0.21 0.00 0.48 0.00 0.00 55.95 54.89 1qy7 s SER 94 Cb -0.16 0.25 -0.11 0.00 0.10 0.00 0.00 66.02 66.10 1qy7 s SER 94 CO 0.06 -0.69 0.93 -2.16 0.98 0.00 0.00 173.24 172.36 1qy7 s PRO 95 N -4.02 4.24 -0.12 4.02 0.04 -1.26 0.54 135.00 138.44 1qy7 s PRO 95 Ca 0.25 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 1qy7 s PRO 95 Cb 0.07 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.38 1qy7 s PRO 95 CO 0.03 0.02 -0.03 0.08 0.04 0.00 0.00 177.00 177.14 1qy7 s VAL 96 N -2.11 0.74 0.12 -0.36 1.01 -0.98 -4.69 120.40 114.14 1qy7 s VAL 96 Ca 0.60 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.35 1qy7 s VAL 96 Cb -0.10 -0.92 -0.21 0.00 0.00 0.00 0.00 36.38 35.15 1qy7 s VAL 96 CO 0.14 0.18 1.28 0.44 0.00 0.00 0.00 175.10 177.14 1qy7 h ASP 97 N 8.23 0.14 -4.99 3.32 3.32 -1.96 -3.00 116.42 121.47 1qy7 h ASP 97 Ca -0.23 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 1qy7 h ASP 97 Cb 1.12 -0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.50 1qy7 h ASP 97 CO 0.34 1.07 0.21 0.00 -1.72 0.00 0.00 179.24 179.14 1qy7 s GLN 98 N -2.81 1.23 0.03 3.56 -2.07 -1.26 -0.87 119.66 117.48 1qy7 s GLN 98 Ca -0.01 -0.34 0.05 0.00 -1.82 0.00 0.00 55.36 53.23 1qy7 s GLN 98 Cb 0.09 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.57 1qy7 s GLN 98 CO 0.83 -0.52 -0.14 0.95 -1.32 0.00 0.00 175.29 175.10 1qy7 s THR 99 N -3.30 1.08 -0.05 3.63 -4.23 -0.03 -5.00 115.64 107.74 1qy7 s THR 99 Ca -0.01 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1qy7 s THR 99 Cb -0.01 -0.97 0.02 0.00 1.34 0.00 0.00 72.50 72.88 1qy7 s THR 99 CO -0.09 0.04 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.32 1qy7 s ILE 100 N -0.77 0.78 -0.33 2.99 1.09 -1.26 -1.66 121.20 122.03 1qy7 s ILE 100 Ca 0.02 -0.27 -0.22 0.00 -1.10 0.00 0.00 60.65 59.08 1qy7 s ILE 100 Cb -0.07 -0.75 0.00 0.00 -1.06 0.00 0.00 42.46 40.58 1qy7 s ILE 100 CO 0.01 0.28 0.73 -0.60 -0.10 0.00 0.00 174.94 175.25 1qy7 s ARG 101 N 0.80 3.83 0.20 2.79 3.52 -0.25 -4.96 118.95 124.88 1qy7 s ARG 101 Ca -0.13 0.34 -0.10 0.00 -0.13 0.00 0.00 55.73 55.71 1qy7 s ARG 101 Cb -0.15 -3.77 0.24 0.00 -1.56 0.00 0.00 34.95 29.71 1qy7 s ARG 101 CO 0.02 -0.73 1.76 0.82 -0.81 0.00 0.00 175.30 176.36 1qy7 h ILE 102 N 5.65 0.84 -0.86 4.11 2.04 -1.95 0.37 117.51 127.71 1qy7 h ILE 102 Ca -0.25 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.50 1qy7 h ILE 102 Cb 1.10 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1qy7 h ILE 102 CO 0.87 0.09 0.54 -0.09 0.00 0.00 0.00 178.15 179.55 1qy7 h ARG 103 N 0.47 0.95 0.00 2.37 2.43 -1.99 -3.32 114.38 115.31 1qy7 h ARG 103 Ca 0.29 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1qy7 h ARG 103 Cb 0.30 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1qy7 h ARG 103 CO -0.25 0.63 -1.59 0.25 -1.51 0.00 0.00 179.97 177.50 1qy7 n THR 104 N -4.61 0.27 -0.52 0.20 -2.24 -1.15 -5.00 114.28 101.23 1qy7 n THR 104 Ca 0.12 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qy7 n THR 104 Cb 0.17 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 2.04 0.77 3.71 3.38 0.00 0.13 -5.02 105.19 110.20 1qy7 n GLY 105 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 2.20 -4.30 1.61 1.02 -1.24 -4.70 120.64 113.23 1qy7 n GLU 106 Ca 0.00 0.77 -0.24 0.00 -0.02 0.00 0.00 57.16 57.67 1qy7 n GLU 106 Cb 0.00 -2.39 -0.12 0.00 -0.02 0.00 0.00 31.44 28.90 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 -1.96 1.17 -0.11 3.49 1.02 -1.26 -1.09 119.74 120.99 1qy7 s LYS 107 Ca 0.56 -1.21 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 1qy7 s LYS 107 Cb -0.54 -1.43 0.04 0.00 -0.52 0.00 0.00 37.83 35.38 1qy7 s LYS 107 CO 0.62 0.33 0.04 1.21 -0.92 0.00 0.00 175.35 176.62 1qy7 s ASN 108 N -2.02 1.95 0.05 2.83 3.84 -0.66 -5.00 114.94 115.92 1qy7 s ASN 108 Ca 0.08 -0.32 0.04 0.00 0.21 0.00 0.00 52.86 52.87 1qy7 s ASN 108 Cb -0.09 -0.38 -0.02 0.00 -0.55 0.00 0.00 41.25 40.20 1qy7 s ASN 108 CO 0.05 -0.26 -0.11 0.00 -2.79 0.00 0.00 177.10 173.99 1qy7 s ALA 109 N 2.02 0.88 0.54 1.71 0.00 -1.26 -0.85 121.76 124.79 1qy7 s ALA 109 Ca 0.03 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1qy7 s ALA 109 Cb -0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 1qy7 s ALA 109 CO -0.06 0.10 1.02 -0.51 0.00 0.00 0.00 175.76 176.31 1qy7 s ASP 110 N -1.40 6.26 0.03 0.00 -0.00 -0.05 -5.01 116.67 116.49 1qy7 s ASP 110 Ca -0.04 1.73 -0.00 0.00 -0.00 0.00 0.00 52.55 54.24 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 -0.84 0.15 0.00 -0.00 0.00 0.00 175.17 174.49 1qy7 s ALA 111 N -2.43 3.83 -2.00 5.23 0.00 -1.26 -5.02 121.76 120.11 1qy7 s ALA 111 Ca 0.62 -0.85 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1qy7 s ALA 111 Cb -0.13 -1.73 0.58 0.00 0.00 0.00 0.00 23.12 21.84 1qy7 s ALA 111 CO 0.31 0.76 1.02 0.44 0.00 0.00 0.00 175.76 178.29