#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oq3 s LEU 2 N 0.00 2.41 0.79 4.03 1.02 -1.26 -5.14 118.68 120.53 1oq3 s LEU 2 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 54.13 53.43 1oq3 s LEU 2 Cb 0.00 -1.36 0.07 0.00 0.02 0.00 0.00 46.19 44.92 1oq3 s LEU 2 CO 0.00 0.21 1.11 -0.44 0.02 0.00 0.00 176.35 177.25 1oq3 s SER 3 N -1.75 4.21 -0.02 2.29 0.01 -1.26 -5.08 113.70 112.10 1oq3 s SER 3 Ca 0.14 1.94 0.01 0.00 1.31 0.00 0.00 55.95 59.35 1oq3 s SER 3 Cb -0.10 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1oq3 s SER 3 CO 0.06 -2.24 -0.01 -0.70 0.41 0.00 0.00 173.24 170.76 1oq3 s GLU 4 N -4.74 0.33 0.49 12.44 2.12 -1.26 -5.10 118.70 122.99 1oq3 s GLU 4 Ca 0.63 0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.88 1oq3 s GLU 4 Cb -0.19 -0.45 -0.05 0.00 0.26 0.00 0.00 34.13 33.70 1oq3 s GLU 4 CO 0.55 -0.08 0.86 1.14 -0.54 0.00 0.00 175.26 177.19 1oq3 s GLN 5 N 0.74 3.68 0.24 4.30 -2.07 -1.26 -4.33 119.66 120.96 1oq3 s GLN 5 Ca -0.08 0.50 -0.17 0.00 -1.82 0.00 0.00 55.36 53.80 1oq3 s GLN 5 Cb -0.11 -2.28 0.01 0.00 -1.09 0.00 0.00 33.01 29.54 1oq3 s GLN 5 CO -0.01 -0.24 0.56 0.15 -1.32 0.00 0.00 175.29 174.43 1oq3 s LYS 6 N -4.47 1.56 0.02 9.60 1.02 -0.40 -4.97 119.74 122.09 1oq3 s LYS 6 Ca 0.52 -1.04 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 1oq3 s LYS 6 Cb -0.10 0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 37.69 1oq3 s LYS 6 CO 0.41 -0.67 0.79 -1.83 -0.92 0.00 0.00 175.35 173.12 1oq3 s GLU 7 N -3.94 4.50 0.09 1.68 -1.05 -1.26 -1.38 118.70 117.34 1oq3 s GLU 7 Ca 0.14 1.08 0.07 0.00 -0.15 0.00 0.00 54.97 56.12 1oq3 s GLU 7 Cb -0.02 -3.39 -0.04 0.00 -0.44 0.00 0.00 34.13 30.24 1oq3 s GLU 7 CO 0.04 0.20 -0.13 0.42 0.95 0.00 0.00 175.26 176.73 1oq3 s ILE 8 N 0.25 3.14 -0.04 1.83 1.09 0.14 -4.97 121.20 122.64 1oq3 s ILE 8 Ca 0.40 -1.29 0.02 0.00 -1.10 0.00 0.00 60.65 58.69 1oq3 s ILE 8 Cb -0.20 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.78 1oq3 s ILE 8 CO 0.23 0.17 -0.09 0.00 -0.10 0.00 0.00 174.94 175.15 1oq3 s ALA 9 N -1.13 0.92 0.25 9.38 0.00 -1.26 -0.61 121.76 129.31 1oq3 s ALA 9 Ca 0.19 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.69 1oq3 s ALA 9 Cb -0.11 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.62 1oq3 s ALA 9 CO 0.11 0.10 0.58 0.00 0.00 0.00 0.00 175.76 176.55 1oq3 s MET 10 N 0.46 1.60 -0.59 0.00 0.23 -0.29 -4.95 119.30 115.76 1oq3 s MET 10 Ca -0.08 -1.07 -0.11 0.00 -1.03 0.00 0.00 55.69 53.39 1oq3 s MET 10 Cb -0.12 0.53 0.15 0.00 -1.53 0.00 0.00 34.83 33.86 1oq3 s MET 10 CO 0.01 -0.69 0.49 -0.65 -2.03 0.00 0.00 175.02 172.15 1oq3 s GLN 11 N -3.95 2.88 0.12 3.16 1.11 -1.23 -1.18 119.66 120.56 1oq3 s GLN 11 Ca 0.15 -2.00 -0.20 0.00 0.01 0.00 0.00 55.36 53.33 1oq3 s GLN 11 Cb -0.03 -4.12 -0.07 0.00 -1.01 0.00 0.00 33.01 27.78 1oq3 s GLN 11 CO 0.06 -1.25 0.63 0.08 0.01 0.00 0.00 175.29 174.82 1oq3 s VAL 12 N 0.99 4.65 0.46 1.09 1.01 -1.26 -2.41 120.40 124.93 1oq3 s VAL 12 Ca 0.09 1.29 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 1oq3 s VAL 12 Cb -0.23 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1oq3 s VAL 12 CO -0.02 0.47 0.84 -0.55 0.00 0.00 0.00 175.10 175.84 1oq3 s SER 13 N -1.25 6.46 -0.49 3.32 0.15 0.09 -4.62 113.70 117.36 1oq3 s SER 13 Ca 0.33 1.20 -0.01 0.00 0.70 0.00 0.00 55.95 58.17 1oq3 s SER 13 Cb -0.19 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1oq3 s SER 13 CO 0.21 -0.51 0.45 0.61 1.20 0.00 0.00 173.24 175.20 1oq3 n GLY 14 N -1.67 -0.73 3.31 9.45 0.00 -1.26 -4.56 105.19 109.72 1oq3 n GLY 14 Ca 0.03 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 1oq3 n GLY 14 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1oq3 s MET 15 N -3.21 1.74 -1.46 1.61 0.00 -1.26 -4.51 119.30 112.21 1oq3 s MET 15 Ca 0.07 -1.96 -0.08 0.00 0.00 0.00 0.00 55.69 53.72 1oq3 s MET 15 Cb -0.01 0.34 0.04 0.00 0.00 0.00 0.00 34.83 35.20 1oq3 s MET 15 CO 0.45 -0.65 0.77 2.41 0.00 0.00 0.00 175.02 177.99 1oq3 n THR 16 N -0.59 -1.97 0.03 3.16 -1.04 -1.26 -4.86 114.28 107.75 1oq3 n THR 16 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1oq3 n THR 16 Cb 0.62 -3.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.05 1oq3 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1oq3 s ALA 18 N -2.00 -1.93 -1.40 0.00 0.00 -1.26 -4.95 121.76 110.22 1oq3 s ALA 18 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1oq3 s ALA 18 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1oq3 s ALA 18 CO 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 175.76 173.53 1oq3 n ALA 19 N 2.94 -0.65 0.12 0.00 0.00 -1.26 -4.89 120.51 116.78 1oq3 n ALA 19 Ca 0.19 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.72 1oq3 n ALA 19 Cb 0.56 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1oq3 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oq3 h ALA 21 N -1.37 1.55 0.34 0.00 0.00 -1.90 0.24 119.26 118.12 1oq3 h ALA 21 Ca -0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1oq3 h ALA 21 Cb 0.28 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1oq3 h ALA 21 CO 0.06 -0.25 -0.28 0.00 0.00 0.00 0.00 179.25 178.78 1oq3 h ALA 22 N 1.69 -0.63 -0.19 0.00 0.00 -1.95 0.14 119.26 118.32 1oq3 h ALA 22 Ca 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 1oq3 h ALA 22 Cb 1.04 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1oq3 h ALA 22 CO -0.47 -0.88 0.11 0.00 0.00 0.00 0.00 179.25 178.01 1oq3 h ARG 23 N -0.63 0.26 -0.60 0.00 3.08 0.17 0.87 114.38 117.53 1oq3 h ARG 23 Ca -0.02 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1oq3 h ARG 23 Cb 0.56 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.46 1oq3 h ARG 23 CO -0.02 0.22 -0.52 0.82 -1.07 0.00 0.00 179.97 179.39 1oq3 h ILE 24 N 0.23 0.00 -0.21 2.04 2.04 -0.53 0.90 117.51 121.97 1oq3 h ILE 24 Ca 0.07 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 1oq3 h ILE 24 Cb 0.03 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1oq3 h ILE 24 CO -0.01 0.00 -0.56 -0.08 0.00 0.00 0.00 178.15 177.50 1oq3 h GLU 25 N -0.21 0.66 -0.44 2.37 4.57 -0.80 -2.13 114.58 118.59 1oq3 h GLU 25 Ca 0.10 -0.42 0.07 0.00 -1.18 0.00 0.00 59.36 57.93 1oq3 h GLU 25 Cb 0.47 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1oq3 h GLU 25 CO -0.68 1.04 0.30 0.87 -1.18 0.00 0.00 179.01 179.36 1oq3 h LYS 26 N 0.50 0.30 -0.19 1.92 1.79 -0.34 0.39 116.57 120.96 1oq3 h LYS 26 Ca 0.01 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 1oq3 h LYS 26 Cb 1.13 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.66 1oq3 h LYS 26 CO 0.11 0.20 -0.12 0.78 -1.08 0.00 0.00 179.45 179.34 1oq3 h GLY 27 N 0.31 0.03 2.00 3.86 0.00 -0.15 -2.19 103.07 106.93 1oq3 h GLY 27 Ca 0.20 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 1oq3 h GLY 27 CO -0.04 -0.13 -0.16 1.41 0.00 0.00 0.00 176.54 177.62 1oq3 h LEU 28 N -0.11 0.00 -1.43 3.11 3.38 -0.17 0.10 115.31 120.18 1oq3 h LEU 28 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1oq3 h LEU 28 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1oq3 h LEU 28 CO -0.26 0.16 0.00 0.50 0.09 0.00 0.00 178.44 178.93 1oq3 h LYS 29 N 0.00 0.00 0.00 1.13 3.64 -0.05 0.18 116.57 121.47 1oq3 h LYS 29 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1oq3 h LYS 29 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1oq3 h LYS 29 CO 0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 179.45 176.97 1oq3 h ARG 30 N 0.00 0.00 -6.46 1.90 -0.00 -0.78 -3.48 114.38 105.56 1oq3 h ARG 30 Ca 0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 58.94 1oq3 h ARG 30 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.04 1oq3 h ARG 30 CO 0.00 0.00 0.71 -1.64 0.00 0.00 0.00 179.97 179.04 1oq3 s MET 31 N -3.20 4.34 -0.38 0.04 -1.94 0.64 -4.90 119.30 113.89 1oq3 s MET 31 Ca 0.07 1.94 -0.27 0.00 -1.71 0.00 0.00 55.69 55.72 1oq3 s MET 31 Cb 0.08 -3.40 -0.06 0.00 2.01 0.00 0.00 34.83 33.47 1oq3 s MET 31 CO 0.68 -0.43 2.29 -1.25 -0.01 0.00 0.00 175.02 176.29 1oq3 s PRO 32 N 1.57 2.57 0.00 2.03 0.04 -1.26 -1.51 135.00 138.44 1oq3 s PRO 32 Ca 0.62 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1oq3 s PRO 32 Cb -0.32 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.74 1oq3 s PRO 32 CO 0.28 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1oq3 n GLY 33 N 5.88 0.78 3.73 0.56 0.00 -1.26 -4.22 105.19 110.66 1oq3 n GLY 33 Ca 0.33 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 1oq3 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oq3 s VAL 34 N -1.53 2.78 0.10 1.61 0.11 -0.57 -0.37 120.40 122.54 1oq3 s VAL 34 Ca 0.00 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1oq3 s VAL 34 Cb 0.00 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.19 1oq3 s VAL 34 CO 0.00 -0.29 0.00 0.41 -3.33 0.00 0.00 175.10 171.89 1oq3 n THR 35 N -3.42 0.89 -4.04 5.04 -1.04 0.44 -4.87 114.28 107.28 1oq3 n THR 35 Ca 0.11 0.30 -0.09 0.00 -2.04 0.00 0.00 64.05 62.33 1oq3 n THR 35 Cb 0.52 -1.45 -0.11 0.00 -1.82 0.00 0.00 70.33 67.48 1oq3 n THR 35 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oq3 s ASP 36 N -5.72 0.44 -0.07 8.00 2.15 -1.04 -4.99 116.67 115.45 1oq3 s ASP 36 Ca 0.00 -0.72 0.02 0.00 0.43 0.00 0.00 52.55 52.29 1oq3 s ASP 36 Cb 0.00 0.13 0.01 0.00 -0.30 0.00 0.00 42.92 42.76 1oq3 s ASP 36 CO 0.00 -0.41 -0.13 0.00 -0.17 0.00 0.00 175.17 174.46 1oq3 s ALA 37 N -2.48 1.31 -0.14 3.66 0.00 -1.26 -0.34 121.76 122.50 1oq3 s ALA 37 Ca -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1oq3 s ALA 37 Cb -0.03 -0.59 0.06 0.00 0.00 0.00 0.00 23.12 22.57 1oq3 s ALA 37 CO -0.04 0.11 0.12 -0.80 0.00 0.00 0.00 175.76 175.15 1oq3 s ASN 38 N 0.67 1.69 0.37 0.00 0.01 0.51 -4.99 114.94 113.21 1oq3 s ASN 38 Ca -0.14 -0.27 -0.20 0.00 -0.71 0.00 0.00 52.86 51.53 1oq3 s ASN 38 Cb -0.16 -0.01 -0.10 0.00 0.41 0.00 0.00 41.25 41.39 1oq3 s ASN 38 CO 0.04 -0.31 0.88 0.54 -1.51 0.00 0.00 177.10 176.74 1oq3 s VAL 39 N 2.21 4.44 -0.39 1.60 0.11 -1.26 -0.68 120.40 126.43 1oq3 s VAL 39 Ca 0.04 1.40 0.09 0.00 -2.93 0.00 0.00 61.98 60.57 1oq3 s VAL 39 Cb -0.15 -3.68 0.27 0.00 -1.53 0.00 0.00 36.38 31.29 1oq3 s VAL 39 CO -0.08 -0.18 0.59 0.59 -3.33 0.00 0.00 175.10 172.68 1oq3 n ASN 40 N -0.30 0.22 0.20 3.54 3.02 0.46 -4.88 115.26 117.51 1oq3 n ASN 40 Ca 0.05 -2.79 0.14 0.00 -0.03 0.00 0.00 54.58 51.94 1oq3 n ASN 40 Cb 0.53 -0.54 0.70 0.00 -0.61 0.00 0.00 39.78 39.85 1oq3 n ASN 40 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1oq3 h LEU 41 N 3.75 0.00 -0.71 3.41 3.38 -1.94 -0.08 115.31 123.13 1oq3 h LEU 41 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1oq3 h LEU 41 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1oq3 h LEU 41 CO 0.46 0.00 0.04 0.00 0.09 0.00 0.00 178.44 179.04 1oq3 n ALA 42 N -1.85 0.95 -2.29 1.53 0.00 -1.26 -1.96 120.51 115.63 1oq3 n ALA 42 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.54 1oq3 n ALA 42 Cb 0.09 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1oq3 n ALA 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1oq3 n THR 43 N -1.87 0.00 -4.04 0.00 -1.04 -0.08 -5.03 114.28 102.22 1oq3 n THR 43 Ca -0.01 -0.57 -0.40 0.00 -2.04 0.00 0.00 64.05 61.03 1oq3 n THR 43 Cb 0.06 0.76 0.01 0.00 -1.82 0.00 0.00 70.33 69.34 1oq3 n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1oq3 n GLU 44 N 0.29 -0.34 -3.55 -2.82 4.71 -0.83 -4.92 120.64 113.17 1oq3 n GLU 44 Ca -0.01 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.16 56.98 1oq3 n GLU 44 Cb 0.95 -1.95 -0.04 0.00 -1.01 0.00 0.00 31.44 29.38 1oq3 n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1oq3 s THR 45 N -3.77 0.03 0.08 2.62 2.01 -0.98 -4.31 115.64 111.33 1oq3 s THR 45 Ca 0.41 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.16 1oq3 s THR 45 Cb -0.23 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1oq3 s THR 45 CO 0.83 -0.15 -0.08 0.54 -0.69 0.00 0.00 174.62 175.06 1oq3 s VAL 46 N -3.15 0.72 0.07 3.82 0.11 -0.33 -0.40 120.40 121.24 1oq3 s VAL 46 Ca -0.01 -1.51 0.09 0.00 -2.93 0.00 0.00 61.98 57.62 1oq3 s VAL 46 Cb -0.00 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.65 1oq3 s VAL 46 CO -0.07 -0.58 -0.25 0.21 -3.33 0.00 0.00 175.10 171.08 1oq3 s ASN 47 N -2.28 3.31 -0.08 3.54 2.47 0.14 -1.14 114.94 120.91 1oq3 s ASN 47 Ca 0.01 -0.60 -0.05 0.00 0.42 0.00 0.00 52.86 52.64 1oq3 s ASN 47 Cb -0.03 -0.32 0.03 0.00 -1.45 0.00 0.00 41.25 39.47 1oq3 s ASN 47 CO -0.01 0.24 0.19 0.54 -3.72 0.00 0.00 177.10 174.34 1oq3 s VAL 48 N -0.89 -0.03 -0.17 -5.21 0.11 0.22 -0.36 120.40 114.07 1oq3 s VAL 48 Ca 0.13 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 1oq3 s VAL 48 Cb -0.10 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.41 1oq3 s VAL 48 CO 0.04 0.04 0.35 -0.63 -3.33 0.00 0.00 175.10 171.56 1oq3 s ILE 49 N 0.73 5.26 0.26 7.04 1.01 0.53 -0.68 121.20 135.36 1oq3 s ILE 49 Ca -0.05 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.14 1oq3 s ILE 49 Cb -0.07 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 1oq3 s ILE 49 CO -0.04 0.33 0.44 -0.72 0.00 0.00 0.00 174.94 174.95 1oq3 s TYR 50 N 0.82 0.59 -0.22 3.97 -0.85 -0.48 -0.42 117.35 120.76 1oq3 s TYR 50 Ca 0.18 -0.92 -0.06 0.00 -0.52 0.00 0.00 57.07 55.75 1oq3 s TYR 50 Cb -0.14 0.06 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 1oq3 s TYR 50 CO 0.06 -1.00 0.02 0.34 -1.52 0.00 0.00 175.55 173.46 1oq3 s ASP 51 N -3.08 4.88 0.00 -0.18 -1.08 0.50 -1.27 116.67 116.44 1oq3 s ASP 51 Ca 0.26 -0.23 0.00 0.00 -0.52 0.00 0.00 52.55 52.06 1oq3 s ASP 51 Cb 0.00 -1.85 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 1oq3 s ASP 51 CO 0.12 0.01 0.45 -0.81 0.52 0.00 0.00 175.17 175.46 1oq3 n PRO 52 N 4.61 0.70 -0.11 4.34 -0.04 -1.19 -0.33 135.00 142.98 1oq3 n PRO 52 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1oq3 n PRO 52 Cb 0.51 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 1oq3 n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oq3 n ALA 53 N 0.30 0.95 -0.14 0.55 0.00 -1.26 -4.73 120.51 116.18 1oq3 n ALA 53 Ca 0.00 -0.72 -0.28 0.00 0.00 0.00 0.00 53.44 52.44 1oq3 n ALA 53 Cb 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.25 1oq3 n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1oq3 n GLU 54 N -4.26 0.60 -4.59 0.00 1.02 -1.07 -5.04 120.64 107.29 1oq3 n GLU 54 Ca -0.40 0.27 -0.33 0.00 -0.02 0.00 0.00 57.16 56.67 1oq3 n GLU 54 Cb 0.79 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.57 1oq3 n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1oq3 s THR 55 N -2.50 3.56 0.35 2.62 2.01 0.55 -4.95 115.64 117.28 1oq3 s THR 55 Ca -0.38 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.01 1oq3 s THR 55 Cb 0.14 -2.51 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1oq3 s THR 55 CO 0.51 0.53 0.65 -0.83 -0.69 0.00 0.00 174.62 174.79 1oq3 s GLY 56 N 0.00 0.74 0.21 4.40 0.00 -1.26 -3.17 107.32 108.24 1oq3 s GLY 56 Ca -0.01 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 1oq3 s GLY 56 CO 0.03 -0.56 1.11 -0.37 0.00 0.00 0.00 173.10 173.31 1oq3 n THR 57 N -0.53 -0.30 -0.36 0.90 5.66 -1.26 -0.32 114.28 118.08 1oq3 n THR 57 Ca -0.04 1.58 -0.09 0.00 -3.05 0.00 0.00 64.05 62.45 1oq3 n THR 57 Cb 0.61 -2.26 -0.06 0.00 -1.55 0.00 0.00 70.33 67.06 1oq3 n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1oq3 h ALA 58 N 1.42 -0.40 -0.15 1.79 0.00 -2.00 0.23 119.26 120.14 1oq3 h ALA 58 Ca 0.39 0.14 -0.21 0.00 0.00 0.00 0.00 54.91 55.24 1oq3 h ALA 58 Cb 0.74 1.22 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1oq3 h ALA 58 CO -0.69 -0.89 -0.73 0.00 0.00 0.00 0.00 179.25 176.94 1oq3 h ALA 59 N 0.64 0.42 0.43 0.00 0.00 -1.04 -3.17 119.26 116.54 1oq3 h ALA 59 Ca 0.19 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1oq3 h ALA 59 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1oq3 h ALA 59 CO -0.88 0.70 -0.45 0.82 0.00 0.00 0.00 179.25 179.44 1oq3 h ILE 60 N 0.49 0.00 -0.66 0.00 5.03 -0.17 -2.37 117.51 119.83 1oq3 h ILE 60 Ca -0.04 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.83 1oq3 h ILE 60 Cb 1.34 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 35.00 1oq3 h ILE 60 CO 0.14 0.00 -0.28 1.56 -0.68 0.00 0.00 178.15 178.89 1oq3 h GLN 61 N -0.89 -0.09 -0.68 2.37 7.50 -0.66 0.18 115.11 122.85 1oq3 h GLN 61 Ca -0.05 0.01 0.13 0.00 0.50 0.00 0.00 58.65 59.23 1oq3 h GLN 61 Cb 0.78 0.02 -0.13 0.00 0.05 0.00 0.00 27.48 28.20 1oq3 h GLN 61 CO -0.07 -0.06 -0.24 1.49 -1.50 0.00 0.00 178.83 178.46 1oq3 h GLU 62 N -0.09 -0.05 -0.07 1.46 4.22 -1.46 0.21 114.58 118.79 1oq3 h GLU 62 Ca 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.69 1oq3 h GLU 62 Cb 0.55 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1oq3 h GLU 62 CO -0.72 -0.04 -0.09 0.87 -2.18 0.00 0.00 179.01 176.85 1oq3 h LYS 63 N -0.06 0.18 -0.81 1.92 6.56 -0.65 -3.27 116.57 120.45 1oq3 h LYS 63 Ca 0.31 -0.11 0.17 0.00 -1.06 0.00 0.00 60.65 59.96 1oq3 h LYS 63 Cb 0.53 0.01 -0.11 0.00 -0.57 0.00 0.00 32.23 32.09 1oq3 h LYS 63 CO -0.72 0.66 0.30 0.82 -2.06 0.00 0.00 179.45 178.45 1oq3 h ILE 64 N -0.28 0.55 -0.31 1.86 1.08 0.59 0.23 117.51 121.24 1oq3 h ILE 64 Ca 0.01 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 1oq3 h ILE 64 Cb 0.64 0.13 -0.08 0.00 -3.07 0.00 0.00 36.82 34.44 1oq3 h ILE 64 CO 0.02 0.07 -0.22 -0.33 -0.69 0.00 0.00 178.15 177.00 1oq3 h GLU 65 N 0.39 -0.18 0.00 2.37 4.39 -0.57 -2.24 114.58 118.73 1oq3 h GLU 65 Ca 0.47 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 60.07 1oq3 h GLU 65 Cb 0.80 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1oq3 h GLU 65 CO -0.48 -0.12 -0.53 -0.22 -1.16 0.00 0.00 179.01 176.50 1oq3 h LYS 66 N -0.19 0.00 -0.31 2.33 3.64 -0.72 0.40 116.57 121.72 1oq3 h LYS 66 Ca 0.16 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 1oq3 h LYS 66 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1oq3 h LYS 66 CO -0.43 0.53 0.37 -0.07 -2.27 0.00 0.00 179.45 177.58 1oq3 h LEU 67 N 0.00 0.00 0.00 5.20 -0.00 -0.27 -3.45 115.31 116.79 1oq3 h LEU 67 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1oq3 h LEU 67 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1oq3 h LEU 67 CO 0.07 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.12 1oq3 n GLY 68 N -1.43 1.91 3.57 0.83 0.00 0.12 -4.97 105.19 105.22 1oq3 n GLY 68 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1oq3 n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oq3 s TYR 69 N -2.00 0.62 -0.02 1.61 1.51 -1.11 -5.04 117.35 112.92 1oq3 s TYR 69 Ca 0.00 -0.97 0.06 0.00 -1.01 0.00 0.00 57.07 55.15 1oq3 s TYR 69 Cb 0.00 0.15 -0.02 0.00 -0.11 0.00 0.00 41.96 41.98 1oq3 s TYR 69 CO 0.00 -1.12 -0.21 -3.38 -1.11 0.00 0.00 175.55 169.73 1oq3 s HIS 70 N -3.41 2.50 -0.08 2.71 -3.43 -1.26 -3.08 115.29 109.23 1oq3 s HIS 70 Ca 0.25 -0.31 -0.05 0.00 -0.80 0.00 0.00 55.06 54.15 1oq3 s HIS 70 Cb -0.01 -1.53 -0.04 0.00 -1.43 0.00 0.00 32.58 29.57 1oq3 s HIS 70 CO 0.14 0.10 0.16 0.54 -2.00 0.00 0.00 174.74 173.67 1oq3 s VAL 71 N -0.71 5.48 -0.04 -5.38 0.11 -1.26 -0.73 120.40 117.87 1oq3 s VAL 71 Ca 0.11 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 1oq3 s VAL 71 Cb -0.10 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.27 1oq3 s VAL 71 CO 0.01 0.51 -0.21 0.68 -3.33 0.00 0.00 175.10 172.76 1oq3 s VAL 72 N -1.14 2.48 -0.58 2.04 -7.23 -1.01 -5.00 120.40 109.95 1oq3 s VAL 72 Ca 0.20 -0.94 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1oq3 s VAL 72 Cb -0.12 -1.92 0.14 0.00 0.56 0.00 0.00 36.38 35.05 1oq3 s VAL 72 CO 0.10 0.58 0.34 -0.63 -0.31 0.00 0.00 175.10 175.18 1oq3 s ILE 73 N -0.60 2.65 0.08 -0.62 -1.09 -1.26 -3.58 121.20 116.78 1oq3 s ILE 73 Ca 0.09 -3.64 0.08 0.00 -2.23 0.00 0.00 60.65 54.95 1oq3 s ILE 73 Cb -0.11 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1oq3 s ILE 73 CO 0.00 -0.88 -0.22 -1.61 -1.23 0.00 0.00 174.94 171.00 1oq3 s GLU 74 N -0.69 1.29 -0.41 2.79 2.02 -1.26 -4.93 118.70 117.51 1oq3 s GLU 74 Ca 0.20 -1.11 -0.02 0.00 0.02 0.00 0.00 54.97 54.06 1oq3 s GLU 74 Cb -0.18 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.50 1oq3 s GLU 74 CO -0.06 0.37 0.37 0.41 0.02 0.00 0.00 175.26 176.37 1oq3 n GLY 75 N 1.35 -0.25 1.27 -1.39 0.00 -1.26 -5.00 105.19 99.91 1oq3 n GLY 75 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1oq3 n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19