#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi3 s GLN 2 N 0.00 3.64 -0.26 -0.52 0.74 -1.26 -5.10 119.66 116.89 2qi3 s GLN 2 Ca 0.00 -0.53 -0.03 0.00 0.05 0.00 0.00 55.36 54.85 2qi3 s GLN 2 Cb 0.00 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.21 2qi3 s GLN 2 CO 0.00 0.19 -0.03 0.42 -0.55 0.00 0.00 175.29 175.32 2qi3 s ILE 3 N 0.50 3.08 0.83 -2.34 1.01 -1.26 -5.11 121.20 117.91 2qi3 s ILE 3 Ca -0.03 -1.01 -0.12 0.00 0.00 0.00 0.00 60.65 59.49 2qi3 s ILE 3 Cb -0.14 -2.59 0.09 0.00 0.01 0.00 0.00 42.46 39.83 2qi3 s ILE 3 CO 0.03 0.14 1.13 0.42 0.00 0.00 0.00 174.94 176.66 2qi3 s THR 4 N 1.35 2.46 -0.16 2.92 -4.23 -1.26 -5.01 115.64 111.71 2qi3 s THR 4 Ca -0.00 0.15 0.17 0.00 -1.18 0.00 0.00 61.69 60.83 2qi3 s THR 4 Cb -0.17 -2.99 0.39 0.00 1.34 0.00 0.00 72.50 71.07 2qi3 s THR 4 CO -0.03 -0.20 1.26 0.18 -0.54 0.00 0.00 174.62 175.30 2qi3 n LEU 5 N -3.48 2.98 -0.10 4.79 4.77 -1.26 -4.52 117.00 120.18 2qi3 n LEU 5 Ca 0.07 -3.16 0.06 0.00 -0.03 0.00 0.00 56.01 52.96 2qi3 n LEU 5 Cb 0.59 -0.49 0.40 0.00 -2.33 0.00 0.00 43.42 41.59 2qi3 n LEU 5 CO 0.57 0.77 1.19 -0.50 -1.33 0.00 0.00 177.39 178.09 2qi3 h TRP 6 N 0.71 0.62 -2.01 -1.77 4.06 -2.06 -3.43 115.95 112.07 2qi3 h TRP 6 Ca 0.01 0.02 -0.59 0.00 2.06 0.00 0.00 58.89 60.39 2qi3 h TRP 6 Cb 1.18 -0.21 -0.13 0.00 -1.00 0.00 0.00 29.16 29.00 2qi3 h TRP 6 CO 0.27 0.35 -0.64 0.15 -3.56 0.00 0.00 178.44 175.01 2qi3 s LYS 7 N -5.56 1.83 0.29 0.49 1.02 -1.26 -5.11 119.74 111.43 2qi3 s LYS 7 Ca -0.09 -1.99 -0.30 0.00 0.02 0.00 0.00 55.97 53.61 2qi3 s LYS 7 Cb 0.19 -1.51 -0.12 0.00 -0.52 0.00 0.00 37.83 35.87 2qi3 s LYS 7 CO 0.75 0.01 1.62 0.54 -0.92 0.00 0.00 175.35 177.35 2qi3 n ARG 8 N -0.83 2.74 -1.67 1.68 1.74 -1.26 -4.85 116.66 114.20 2qi3 n ARG 8 Ca -0.05 0.98 -0.42 0.00 -0.77 0.00 0.00 57.85 57.59 2qi3 n ARG 8 Cb 0.65 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.31 2qi3 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi3 n PRO 9 N 2.33 2.56 -3.10 5.56 -0.04 -1.26 -4.92 135.00 136.13 2qi3 n PRO 9 Ca 0.09 -2.48 -0.39 0.00 -0.04 0.00 0.00 63.50 60.68 2qi3 n PRO 9 Cb 0.37 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.54 2qi3 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi3 s LEU 10 N 2.28 4.33 0.24 1.53 1.43 -1.26 -1.18 118.68 126.05 2qi3 s LEU 10 Ca 0.50 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 2qi3 s LEU 10 Cb 0.13 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.28 2qi3 s LEU 10 CO -0.03 -0.07 -0.03 0.68 0.23 0.00 0.00 176.35 177.14 2qi3 s VAL 11 N 0.60 1.24 -0.02 -1.59 -7.23 -0.00 -4.92 120.40 108.49 2qi3 s VAL 11 Ca 0.35 -2.07 -0.26 0.00 -1.81 0.00 0.00 61.98 58.20 2qi3 s VAL 11 Cb -0.18 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 2qi3 s VAL 11 CO 0.17 -0.35 0.80 -0.89 -0.31 0.00 0.00 175.10 174.52 2qi3 s THR 12 N -3.28 4.92 0.23 5.32 2.01 -1.26 -0.73 115.64 122.84 2qi3 s THR 12 Ca 0.28 1.66 0.10 0.00 0.31 0.00 0.00 61.69 64.05 2qi3 s THR 12 Cb 0.05 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2qi3 s THR 12 CO 0.09 0.25 -0.14 0.27 -0.69 0.00 0.00 174.62 174.40 2qi3 s ILE 13 N 0.64 2.84 -0.11 1.82 -4.36 0.69 -2.70 121.20 120.03 2qi3 s ILE 13 Ca 0.42 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 2qi3 s ILE 13 Cb -0.19 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.09 2qi3 s ILE 13 CO 0.22 -0.24 -0.11 -0.13 0.24 0.00 0.00 174.94 174.92 2qi3 s ARG 14 N -3.14 1.80 -0.19 0.37 3.00 0.88 -1.62 118.95 120.05 2qi3 s ARG 14 Ca 0.27 -0.39 -0.01 0.00 0.00 0.00 0.00 55.73 55.60 2qi3 s ARG 14 Cb -0.07 -1.66 0.05 0.00 0.00 0.00 0.00 34.95 33.26 2qi3 s ARG 14 CO 0.15 -0.15 -0.04 -1.50 0.00 0.00 0.00 175.30 173.75 2qi3 s ILE 15 N 1.29 1.12 0.00 1.52 2.07 -0.71 -0.43 121.20 126.06 2qi3 s ILE 15 Ca -0.02 -0.76 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 2qi3 s ILE 15 Cb -0.14 -1.37 0.00 0.00 0.13 0.00 0.00 42.46 41.08 2qi3 s ILE 15 CO -0.04 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2qi3 n GLY 16 N 4.85 3.41 1.26 1.50 0.00 -1.26 -1.20 105.19 113.75 2qi3 n GLY 16 Ca -0.11 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2qi3 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi3 n GLY 17 N 0.00 2.05 3.50 -0.02 0.00 -1.26 -4.88 105.19 104.58 2qi3 n GLY 17 Ca 0.00 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2qi3 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi3 s GLN 18 N -1.67 3.71 -0.18 1.61 -1.52 -0.34 -5.09 119.66 116.17 2qi3 s GLN 18 Ca 0.40 -0.49 -0.07 0.00 -1.95 0.00 0.00 55.36 53.24 2qi3 s GLN 18 Cb 0.25 -3.04 -0.04 0.00 -0.22 0.00 0.00 33.01 29.96 2qi3 s GLN 18 CO 0.21 0.15 0.07 -0.48 -0.25 0.00 0.00 175.29 174.99 2qi3 s LEU 19 N 0.63 3.86 0.06 2.90 2.34 -1.26 -1.74 118.68 125.47 2qi3 s LEU 19 Ca -0.01 0.11 -0.03 0.00 0.06 0.00 0.00 54.13 54.26 2qi3 s LEU 19 Cb -0.14 -1.97 -0.03 0.00 -0.56 0.00 0.00 46.19 43.49 2qi3 s LEU 19 CO 0.02 0.19 0.03 -0.54 -1.06 0.00 0.00 176.35 174.99 2qi3 s LYS 20 N 0.29 0.67 -0.10 1.48 1.02 -0.64 -5.01 119.74 117.46 2qi3 s LYS 20 Ca 0.04 -1.15 -0.12 0.00 0.02 0.00 0.00 55.97 54.76 2qi3 s LYS 20 Cb -0.12 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 2qi3 s LYS 20 CO 0.00 -0.15 0.29 -1.21 -0.92 0.00 0.00 175.35 173.35 2qi3 s GLU 21 N -3.90 3.93 0.02 1.68 0.41 -1.26 -0.22 118.70 119.35 2qi3 s GLU 21 Ca 0.06 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2qi3 s GLU 21 Cb 0.07 -3.30 -0.02 0.00 -1.78 0.00 0.00 34.13 29.11 2qi3 s GLU 21 CO -0.10 0.53 -0.03 0.00 -0.49 0.00 0.00 175.26 175.16 2qi3 s ALA 22 N -0.42 0.16 0.02 5.21 0.00 0.09 -4.29 121.76 122.52 2qi3 s ALA 22 Ca 0.18 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 2qi3 s ALA 22 Cb -0.14 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2qi3 s ALA 22 CO 0.07 -0.13 1.03 -0.51 0.00 0.00 0.00 175.76 176.22 2qi3 s LEU 23 N -1.31 4.38 -0.65 0.00 1.43 0.18 -0.82 118.68 121.88 2qi3 s LEU 23 Ca -0.14 1.75 -0.27 0.00 -1.03 0.00 0.00 54.13 54.44 2qi3 s LEU 23 Cb -0.09 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2qi3 s LEU 23 CO -0.01 -0.30 1.33 -0.76 0.23 0.00 0.00 176.35 176.84 2qi3 s LEU 24 N 0.95 3.29 -0.34 1.79 1.43 -0.33 -0.39 118.68 125.09 2qi3 s LEU 24 Ca 0.53 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2qi3 s LEU 24 Cb -0.23 -2.82 0.10 0.00 0.03 0.00 0.00 46.19 43.27 2qi3 s LEU 24 CO 0.28 -1.76 0.05 -0.62 0.23 0.00 0.00 176.35 174.54 2qi3 s ASP 25 N 3.99 4.81 0.31 2.29 3.68 -0.55 -4.81 116.67 126.39 2qi3 s ASP 25 Ca 0.43 -2.03 0.26 0.00 2.13 0.00 0.00 52.55 53.34 2qi3 s ASP 25 Cb -0.09 -1.65 1.01 0.00 -1.45 0.00 0.00 42.92 40.74 2qi3 s ASP 25 CO 0.20 -0.38 1.76 0.71 0.13 0.00 0.00 175.17 177.60 2qi3 h THR 26 N 6.59 0.00 -0.00 1.71 1.35 -1.93 -2.48 112.91 118.14 2qi3 h THR 26 Ca -0.08 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 2qi3 h THR 26 Cb 1.03 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2qi3 h THR 26 CO 0.54 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.35 2qi3 n GLY 27 N 0.20 -0.88 3.43 5.82 0.00 -1.26 -4.81 105.19 107.69 2qi3 n GLY 27 Ca 0.02 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 2qi3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi3 s ALA 28 N -2.34 3.24 0.16 4.61 0.00 -0.93 -4.98 121.76 121.52 2qi3 s ALA 28 Ca 0.34 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 2qi3 s ALA 28 Cb 0.21 -2.31 0.05 0.00 0.00 0.00 0.00 23.12 21.07 2qi3 s ALA 28 CO 0.44 -0.84 1.79 -0.44 0.00 0.00 0.00 175.76 176.70 2qi3 h ASP 29 N 8.32 0.62 -2.06 0.00 3.32 -1.87 0.14 116.42 124.89 2qi3 h ASP 29 Ca -0.33 -0.07 -0.61 0.00 0.02 0.00 0.00 57.03 56.04 2qi3 h ASP 29 Cb 1.15 -0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.40 2qi3 h ASP 29 CO 0.61 0.51 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.12 2qi3 s ASP 30 N -5.77 3.65 -0.12 6.45 1.01 -1.26 -2.85 116.67 117.79 2qi3 s ASP 30 Ca -0.13 -1.14 -0.19 0.00 0.71 0.00 0.00 52.55 51.80 2qi3 s ASP 30 Cb 0.12 -0.33 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 2qi3 s ASP 30 CO 0.75 -0.12 0.53 -0.89 0.21 0.00 0.00 175.17 175.65 2qi3 s THR 31 N -2.59 5.15 -0.12 -1.27 2.01 -1.26 -3.65 115.64 113.90 2qi3 s THR 31 Ca 0.31 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2qi3 s THR 31 Cb -0.00 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2qi3 s THR 31 CO 0.16 0.29 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 2qi3 s VAL 32 N 0.79 1.28 0.11 3.82 1.01 0.01 -0.68 120.40 126.74 2qi3 s VAL 32 Ca 0.28 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.90 2qi3 s VAL 32 Cb -0.16 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2qi3 s VAL 32 CO 0.12 0.41 -0.19 -0.76 0.00 0.00 0.00 175.10 174.68 2qi3 s LEU 33 N 1.53 2.66 1.08 3.92 1.43 0.86 -0.02 118.68 130.14 2qi3 s LEU 33 Ca 0.03 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.44 2qi3 s LEU 33 Cb -0.13 -1.52 0.24 0.00 0.03 0.00 0.00 46.19 44.81 2qi3 s LEU 33 CO -0.08 0.18 1.06 -1.83 0.23 0.00 0.00 176.35 175.91 2qi3 s GLU 34 N -2.11 -0.29 0.07 1.70 -1.05 -1.26 -1.79 118.70 113.97 2qi3 s GLU 34 Ca 0.17 1.04 -0.34 0.00 -0.15 0.00 0.00 54.97 55.69 2qi3 s GLU 34 Cb -0.11 -1.61 -0.14 0.00 -0.44 0.00 0.00 34.13 31.84 2qi3 s GLU 34 CO 0.10 -3.36 1.65 -1.91 0.95 0.00 0.00 175.26 172.68 2qi3 n GLU 35 N -4.69 2.03 -3.56 -4.83 4.07 -1.17 -4.49 120.64 108.01 2qi3 n GLU 35 Ca 0.06 0.74 -0.14 0.00 -0.06 0.00 0.00 57.16 57.76 2qi3 n GLU 35 Cb 0.54 -2.51 -0.05 0.00 -0.06 0.00 0.00 31.44 29.35 2qi3 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qi3 s MET 36 N 1.85 1.05 -1.05 5.31 0.23 -1.26 -5.03 119.30 120.41 2qi3 s MET 36 Ca 0.84 -0.24 -0.04 0.00 -1.03 0.00 0.00 55.69 55.21 2qi3 s MET 36 Cb -0.72 0.48 0.29 0.00 -1.53 0.00 0.00 34.83 33.35 2qi3 s MET 36 CO 0.43 -0.39 1.30 -1.71 -2.03 0.00 0.00 175.02 172.62 2qi3 n ASN 37 N 0.36 5.87 -4.77 -1.18 5.15 -1.26 -5.01 115.26 114.42 2qi3 n ASN 37 Ca -0.18 -3.31 -0.36 0.00 -0.60 0.00 0.00 54.58 50.13 2qi3 n ASN 37 Cb 0.61 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 2qi3 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qi3 s LEU 38 N -2.32 3.88 0.59 1.20 1.43 -1.26 -5.02 118.68 117.17 2qi3 s LEU 38 Ca 0.31 2.30 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 2qi3 s LEU 38 Cb 0.01 -4.39 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 2qi3 s LEU 38 CO 0.04 -1.13 1.07 -2.16 0.23 0.00 0.00 176.35 174.40 2qi3 s PRO 39 N -2.97 3.28 0.10 1.29 0.04 -1.26 -4.98 135.00 130.51 2qi3 s PRO 39 Ca 0.69 1.31 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2qi3 s PRO 39 Cb -0.28 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2qi3 s PRO 39 CO 0.33 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2qi3 n GLY 40 N -0.66 -3.06 3.76 0.56 0.00 -1.26 -4.99 105.19 99.54 2qi3 n GLY 40 Ca 0.09 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 2qi3 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi3 s LYS 41 N -0.63 2.99 0.18 1.61 0.00 -1.26 -5.05 119.74 117.57 2qi3 s LYS 41 Ca 0.00 1.65 -0.14 0.00 0.00 0.00 0.00 55.97 57.48 2qi3 s LYS 41 Cb 0.00 -1.95 0.02 0.00 0.00 0.00 0.00 37.83 35.89 2qi3 s LYS 41 CO 0.00 -1.15 0.43 1.67 0.00 0.00 0.00 175.35 176.30 2qi3 s TRP 42 N -1.85 0.05 0.00 1.78 1.48 -1.26 -4.50 118.94 114.64 2qi3 s TRP 42 Ca 0.73 -0.40 0.04 0.00 -1.06 0.00 0.00 56.10 55.41 2qi3 s TRP 42 Cb -0.26 0.23 -0.01 0.00 -1.16 0.00 0.00 33.47 32.27 2qi3 s TRP 42 CO 0.34 -0.83 -0.13 0.15 -4.06 0.00 0.00 176.95 172.41 2qi3 s LYS 43 N -3.90 1.04 0.35 3.25 -0.14 -0.75 -4.92 119.74 114.67 2qi3 s LYS 43 Ca 0.11 -0.55 -0.26 0.00 -1.36 0.00 0.00 55.97 53.91 2qi3 s LYS 43 Cb 0.01 -1.01 -0.09 0.00 -1.68 0.00 0.00 37.83 35.05 2qi3 s LYS 43 CO -0.03 0.27 1.10 -2.14 -0.76 0.00 0.00 175.35 173.79 2qi3 s PRO 44 N -0.54 4.31 0.05 -1.68 0.02 -1.26 -0.51 135.00 135.40 2qi3 s PRO 44 Ca 0.04 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 62.67 2qi3 s PRO 44 Cb -0.06 -2.82 0.00 0.00 0.02 0.00 0.00 34.50 31.65 2qi3 s PRO 44 CO -0.00 -0.05 0.19 0.21 -0.33 0.00 0.00 177.00 177.02 2qi3 s LYS 45 N -2.06 0.74 -0.11 5.54 2.20 -0.59 -4.92 119.74 120.54 2qi3 s LYS 45 Ca 0.53 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 2qi3 s LYS 45 Cb -0.28 0.30 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 2qi3 s LYS 45 CO 0.35 -0.22 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.31 2qi3 s MET 46 N -2.97 2.45 0.04 4.03 -1.94 -1.26 -0.79 119.30 118.85 2qi3 s MET 46 Ca -0.02 -0.65 0.09 0.00 -1.71 0.00 0.00 55.69 53.40 2qi3 s MET 46 Cb 0.01 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.82 2qi3 s MET 46 CO -0.06 0.00 -0.25 0.96 -0.01 0.00 0.00 175.02 175.66 2qi3 s ILE 47 N 0.79 2.23 -0.07 2.53 -4.36 -0.67 -4.95 121.20 116.70 2qi3 s ILE 47 Ca -0.10 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 58.94 2qi3 s ILE 47 Cb -0.16 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 2qi3 s ILE 47 CO 0.01 0.37 -0.08 -0.83 0.24 0.00 0.00 174.94 174.65 2qi3 s GLY 48 N -1.25 1.67 0.00 6.27 0.00 -1.26 -1.24 107.32 111.51 2qi3 s GLY 48 Ca 0.12 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2qi3 s GLY 48 CO 0.02 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.08 2qi3 n GLY 49 N 2.31 5.13 3.73 0.20 0.00 0.27 -4.98 105.19 111.85 2qi3 n GLY 49 Ca -0.18 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2qi3 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qi3 s ILE 50 N -0.41 2.39 0.00 -0.61 1.01 -1.26 -2.27 121.20 120.05 2qi3 s ILE 50 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2qi3 s ILE 50 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2qi3 s ILE 50 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 2qi3 n GLY 51 N 3.15 1.90 0.00 6.18 0.00 -1.26 -4.92 105.19 110.25 2qi3 n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qi3 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi3 n GLY 52 N -2.00 0.30 3.67 -0.02 0.00 -0.96 -5.09 105.19 101.09 2qi3 n GLY 52 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 2qi3 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi3 s PHE 53 N -0.42 2.87 0.15 1.61 0.40 -1.26 -0.56 117.98 120.77 2qi3 s PHE 53 Ca 0.00 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 2qi3 s PHE 53 Cb 0.00 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.09 2qi3 s PHE 53 CO 0.00 0.51 -0.13 0.96 0.70 0.00 0.00 175.22 177.27 2qi3 s ILE 54 N -1.70 1.38 -0.10 0.64 -4.36 -0.37 -4.98 121.20 111.71 2qi3 s ILE 54 Ca 0.27 -1.97 -0.16 0.00 -0.26 0.00 0.00 60.65 58.53 2qi3 s ILE 54 Cb -0.09 -1.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.79 2qi3 s ILE 54 CO 0.19 -0.59 0.41 -0.54 0.24 0.00 0.00 174.94 174.66 2qi3 s LYS 55 N -3.32 4.21 0.21 0.37 1.02 -1.26 -1.68 119.74 119.30 2qi3 s LYS 55 Ca 0.15 0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.53 2qi3 s LYS 55 Cb -0.01 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 2qi3 s LYS 55 CO 0.03 0.31 -0.02 0.14 -0.92 0.00 0.00 175.35 174.89 2qi3 s VAL 56 N 0.16 1.05 -0.20 3.17 -7.23 0.02 -4.39 120.40 112.98 2qi3 s VAL 56 Ca 0.23 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2qi3 s VAL 56 Cb -0.15 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.54 2qi3 s VAL 56 CO 0.09 -0.42 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.33 2qi3 s ARG 57 N -3.84 3.60 -0.31 4.82 0.52 0.96 -1.55 118.95 123.16 2qi3 s ARG 57 Ca 0.26 -0.53 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 2qi3 s ARG 57 Cb 0.05 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.43 2qi3 s ARG 57 CO 0.07 0.00 0.55 -1.14 0.02 0.00 0.00 175.30 174.80 2qi3 s GLN 58 N 1.03 3.85 -0.12 3.54 0.74 0.34 -0.15 119.66 128.88 2qi3 s GLN 58 Ca 0.02 0.14 -0.02 0.00 0.05 0.00 0.00 55.36 55.54 2qi3 s GLN 58 Cb -0.14 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 2qi3 s GLN 58 CO 0.02 -0.53 -0.03 0.71 -0.55 0.00 0.00 175.29 174.90 2qi3 s TYR 59 N 2.44 3.04 0.15 1.67 1.51 0.13 -1.81 117.35 124.49 2qi3 s TYR 59 Ca 0.22 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 2qi3 s TYR 59 Cb -0.15 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 2qi3 s TYR 59 CO 0.12 0.15 0.24 -0.51 -1.11 0.00 0.00 175.55 174.44 2qi3 s ASP 60 N -0.15 6.12 -1.32 2.29 1.01 -1.26 -0.58 116.67 122.79 2qi3 s ASP 60 Ca 0.03 0.09 -0.06 0.00 0.71 0.00 0.00 52.55 53.32 2qi3 s ASP 60 Cb -0.13 -1.79 -0.00 0.00 1.01 0.00 0.00 42.92 42.01 2qi3 s ASP 60 CO 0.02 0.06 0.56 0.00 0.21 0.00 0.00 175.17 176.02 2qi3 n GLN 61 N -0.47 -2.91 -3.57 8.23 1.13 -1.05 -4.89 117.38 113.84 2qi3 n GLN 61 Ca -0.07 0.44 -0.38 0.00 -1.94 0.00 0.00 57.00 55.05 2qi3 n GLN 61 Cb 0.54 -4.47 -0.11 0.00 0.11 0.00 0.00 30.24 26.31 2qi3 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi3 s ILE 62 N -3.78 5.30 0.21 5.09 -1.09 0.11 -4.74 121.20 122.30 2qi3 s ILE 62 Ca 0.14 0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 2qi3 s ILE 62 Cb -0.05 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 2qi3 s ILE 62 CO 0.87 0.25 1.33 -2.84 -1.23 0.00 0.00 174.94 173.32 2qi3 s PRO 63 N 1.69 4.37 -0.03 2.79 0.02 -1.26 -2.13 135.00 140.44 2qi3 s PRO 63 Ca 0.08 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.20 2qi3 s PRO 63 Cb -0.16 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 31.21 2qi3 s PRO 63 CO 0.10 -0.27 -0.03 0.42 -0.33 0.00 0.00 177.00 176.88 2qi3 s ILE 64 N 0.06 0.39 -0.24 2.83 -1.09 -0.44 -4.47 121.20 118.24 2qi3 s ILE 64 Ca 0.57 -0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.81 2qi3 s ILE 64 Cb -0.37 -0.43 -0.05 0.00 -1.58 0.00 0.00 42.46 40.03 2qi3 s ILE 64 CO 0.39 0.18 0.21 -0.70 -1.23 0.00 0.00 174.94 173.80 2qi3 s GLU 65 N 0.80 4.07 -0.27 2.79 2.12 0.43 -1.12 118.70 127.52 2qi3 s GLU 65 Ca -0.10 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.07 2qi3 s GLU 65 Cb -0.13 -3.56 0.07 0.00 0.26 0.00 0.00 34.13 30.78 2qi3 s GLU 65 CO -0.00 -0.01 -0.02 0.42 -0.54 0.00 0.00 175.26 175.11 2qi3 s ILE 66 N 1.25 1.71 -1.53 -3.70 1.01 -0.15 -0.08 121.20 119.72 2qi3 s ILE 66 Ca 0.10 -1.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.07 2qi3 s ILE 66 Cb -0.14 -2.06 0.08 0.00 0.01 0.00 0.00 42.46 40.35 2qi3 s ILE 66 CO 0.06 -0.28 0.79 0.00 0.00 0.00 0.00 174.94 175.51 2qi3 n GLY 68 N -1.65 1.15 3.66 0.00 0.00 -1.26 -5.00 105.19 102.09 2qi3 n GLY 68 Ca -0.06 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 2qi3 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi3 s HIS 69 N -2.26 3.22 0.05 1.61 4.02 -0.30 -5.09 115.29 116.53 2qi3 s HIS 69 Ca 0.00 0.11 -0.27 0.00 1.02 0.00 0.00 55.06 55.92 2qi3 s HIS 69 Cb 0.00 -1.93 -0.05 0.00 -1.02 0.00 0.00 32.58 29.58 2qi3 s HIS 69 CO 0.00 0.32 0.85 0.15 1.02 0.00 0.00 174.74 177.08 2qi3 s LYS 70 N -0.29 4.57 0.12 1.40 1.02 -1.26 -0.97 119.74 124.31 2qi3 s LYS 70 Ca 0.07 1.22 0.04 0.00 0.02 0.00 0.00 55.97 57.32 2qi3 s LYS 70 Cb -0.12 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2qi3 s LYS 70 CO 0.02 0.19 -0.10 0.00 -0.92 0.00 0.00 175.35 174.55 2qi3 s ALA 71 N 0.18 1.23 -0.17 5.17 0.00 -0.27 -4.68 121.76 123.23 2qi3 s ALA 71 Ca 0.43 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 2qi3 s ALA 71 Cb -0.21 0.05 0.07 0.00 0.00 0.00 0.00 23.12 23.03 2qi3 s ALA 71 CO 0.25 -0.09 0.38 -1.50 0.00 0.00 0.00 175.76 174.81 2qi3 s ILE 72 N -2.95 -0.21 -0.25 0.00 2.07 -1.26 -1.33 121.20 117.26 2qi3 s ILE 72 Ca 0.11 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.48 2qi3 s ILE 72 Cb 0.00 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.01 2qi3 s ILE 72 CO -0.00 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 2qi3 n GLY 73 N 4.63 -0.58 3.73 1.50 0.00 -0.91 -4.85 105.19 108.72 2qi3 n GLY 73 Ca -0.18 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2qi3 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi3 s THR 74 N -3.09 4.26 -0.05 2.61 2.01 -1.26 -0.71 115.64 119.41 2qi3 s THR 74 Ca 0.00 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2qi3 s THR 74 Cb 0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2qi3 s THR 74 CO 0.00 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.46 2qi3 s VAL 75 N -0.20 0.97 -0.19 3.82 1.01 0.26 -4.45 120.40 121.62 2qi3 s VAL 75 Ca 0.47 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2qi3 s VAL 75 Cb -0.25 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2qi3 s VAL 75 CO 0.32 0.31 0.11 -0.76 0.00 0.00 0.00 175.10 175.07 2qi3 s LEU 76 N 0.58 4.08 -0.11 3.92 1.43 0.15 -0.69 118.68 128.05 2qi3 s LEU 76 Ca -0.11 0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2qi3 s LEU 76 Cb -0.14 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2qi3 s LEU 76 CO 0.02 0.20 -0.22 -0.69 0.23 0.00 0.00 176.35 175.89 2qi3 s VAL 77 N 0.23 2.19 -0.01 -1.59 1.01 0.78 -0.10 120.40 122.92 2qi3 s VAL 77 Ca 0.07 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.97 2qi3 s VAL 77 Cb -0.12 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.45 2qi3 s VAL 77 CO -0.01 0.55 0.51 0.61 0.00 0.00 0.00 175.10 176.76 2qi3 n GLY 78 N 3.59 0.46 2.57 4.51 0.00 -0.74 -0.03 105.19 115.55 2qi3 n GLY 78 Ca -0.19 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 2qi3 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi3 n PRO 79 N -0.37 3.00 -3.63 1.61 -0.04 -1.26 -3.06 135.00 131.25 2qi3 n PRO 79 Ca 0.02 -2.22 -0.35 0.00 -0.04 0.00 0.00 63.50 60.91 2qi3 n PRO 79 Cb 0.23 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 2qi3 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi3 s THR 80 N 2.95 5.17 -0.22 0.52 -1.32 -1.26 -5.01 115.64 116.47 2qi3 s THR 80 Ca 0.57 0.44 0.28 0.00 -1.21 0.00 0.00 61.69 61.77 2qi3 s THR 80 Cb 0.15 -3.62 0.35 0.00 -1.51 0.00 0.00 72.50 67.87 2qi3 s THR 80 CO -0.05 0.39 1.82 1.55 -2.21 0.00 0.00 174.62 176.12 2qi3 h PRO 81 N 4.08 0.00 -4.21 7.08 0.13 -1.98 -3.42 132.00 133.68 2qi3 h PRO 81 Ca -0.50 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.33 2qi3 h PRO 81 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2qi3 h PRO 81 CO 0.65 0.00 -0.74 0.08 -0.23 0.00 0.00 178.00 177.75 2qi3 s VAL 82 N -3.43 0.33 0.06 1.56 1.01 -1.26 -5.05 120.40 113.63 2qi3 s VAL 82 Ca 0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2qi3 s VAL 82 Cb 0.08 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 2qi3 s VAL 82 CO 0.57 0.01 1.06 0.20 0.00 0.00 0.00 175.10 176.94 2qi3 s ASN 83 N -0.33 7.28 -0.18 3.32 0.01 -1.26 -4.61 114.94 119.17 2qi3 s ASN 83 Ca -0.01 1.85 0.01 0.00 -0.71 0.00 0.00 52.86 54.00 2qi3 s ASN 83 Cb -0.03 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2qi3 s ASN 83 CO -0.00 -0.29 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.55 2qi3 s ILE 84 N 0.69 1.58 -0.44 0.60 1.01 0.97 -0.64 121.20 124.97 2qi3 s ILE 84 Ca 0.53 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 2qi3 s ILE 84 Cb -0.25 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.64 2qi3 s ILE 84 CO 0.30 0.28 0.78 -0.63 0.00 0.00 0.00 174.94 175.66 2qi3 s ILE 85 N 1.44 4.67 0.72 2.92 -1.09 0.48 -0.81 121.20 129.52 2qi3 s ILE 85 Ca 0.01 0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.89 2qi3 s ILE 85 Cb -0.15 -4.30 0.12 0.00 -1.58 0.00 0.00 42.46 36.55 2qi3 s ILE 85 CO -0.09 -0.67 0.99 -0.83 -1.23 0.00 0.00 174.94 173.11 2qi3 s GLY 86 N 2.09 1.76 0.45 6.18 0.00 -1.24 -1.48 107.32 115.08 2qi3 s GLY 86 Ca 0.30 -1.68 0.13 0.00 0.00 0.00 0.00 44.72 43.47 2qi3 s GLY 86 CO 0.22 -1.13 2.03 3.21 0.00 0.00 0.00 173.10 177.42 2qi3 h ARG 87 N -0.52 0.35 -0.66 2.90 3.08 -0.65 -0.78 114.38 118.10 2qi3 h ARG 87 Ca -0.37 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 59.79 2qi3 h ARG 87 Cb 1.27 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 2qi3 h ARG 87 CO 0.41 0.23 0.45 -2.95 -1.07 0.00 0.00 179.97 177.04 2qi3 h ASN 88 N 0.36 0.34 0.00 7.04 -1.07 -1.79 -2.38 115.58 118.08 2qi3 h ASN 88 Ca 0.20 0.01 -0.36 0.00 0.07 0.00 0.00 56.30 56.22 2qi3 h ASN 88 Cb 0.34 -0.06 -0.07 0.00 -2.07 0.00 0.00 38.32 36.47 2qi3 h ASN 88 CO -0.05 0.19 -2.36 0.18 0.07 0.00 0.00 177.43 175.45 2qi3 n LEU 89 N -4.46 0.34 -0.28 6.14 4.77 -0.78 -4.35 117.00 118.38 2qi3 n LEU 89 Ca 0.12 -0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.15 2qi3 n LEU 89 Cb 0.47 0.33 0.30 0.00 -2.33 0.00 0.00 43.42 42.18 2qi3 n LEU 89 CO 0.34 0.54 1.23 -0.07 -1.33 0.00 0.00 177.39 178.10 2qi3 h LEU 90 N 0.00 0.80 -0.81 2.23 3.38 -0.88 -1.71 115.31 118.31 2qi3 h LEU 90 Ca -0.54 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 2qi3 h LEU 90 Cb 2.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 2qi3 h LEU 90 CO 0.02 0.48 -0.53 0.71 0.09 0.00 0.00 178.44 179.21 2qi3 h THR 91 N 0.89 1.36 -0.20 0.22 1.35 -1.65 -1.48 112.91 113.41 2qi3 h THR 91 Ca 0.40 -1.80 -0.07 0.00 -0.55 0.00 0.00 66.41 64.39 2qi3 h THR 91 Cb 0.36 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 2qi3 h THR 91 CO -0.16 0.53 -0.17 1.56 -0.25 0.00 0.00 175.52 177.03 2qi3 h GLN 92 N 0.14 0.33 -0.19 4.72 4.20 -1.51 -2.55 115.11 120.25 2qi3 h GLN 92 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2qi3 h GLN 92 Cb 0.98 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2qi3 h GLN 92 CO 0.08 0.50 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 2qi3 n ILE 93 N -4.21 0.24 -1.06 2.54 -5.35 -1.08 -4.94 119.36 105.50 2qi3 n ILE 93 Ca -0.00 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2qi3 n ILE 93 Cb 0.32 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 2qi3 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi3 n GLY 94 N 1.23 0.72 3.71 3.28 0.00 -0.96 -5.03 105.19 108.15 2qi3 n GLY 94 Ca 0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 2qi3 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi3 s THR 96 N 0.86 1.39 -0.05 0.00 -4.23 -1.26 -4.65 115.64 107.70 2qi3 s THR 96 Ca 0.48 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 2qi3 s THR 96 Cb -0.20 -2.01 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 2qi3 s THR 96 CO 0.25 -0.62 0.31 -0.76 -0.54 0.00 0.00 174.62 173.27 2qi3 s LEU 97 N -3.25 4.44 -0.03 4.79 1.43 -1.26 -5.09 118.68 119.70 2qi3 s LEU 97 Ca 0.21 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2qi3 s LEU 97 Cb 0.02 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.87 2qi3 s LEU 97 CO 0.04 0.35 0.06 0.20 0.23 0.00 0.00 176.35 177.23 2qi3 s ASN 98 N -1.00 0.01 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.82 2qi3 s ASN 98 Ca 0.20 0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.60 2qi3 s ASN 98 Cb -0.15 0.01 0.00 0.00 -0.02 0.00 0.00 41.25 41.09 2qi3 s ASN 98 CO 0.10 -0.12 0.00 2.22 -2.57 0.00 0.00 177.10 176.72