#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi5 s GLN 2 N 0.00 4.00 -0.18 0.54 0.74 -1.26 -5.10 119.66 118.40 2qi5 s GLN 2 Ca 0.00 -0.32 -0.00 0.00 0.05 0.00 0.00 55.36 55.09 2qi5 s GLN 2 Cb 0.00 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.76 2qi5 s GLN 2 CO 0.00 0.16 -0.15 0.42 -0.55 0.00 0.00 175.29 175.17 2qi5 s ILE 3 N 0.73 2.54 0.80 -2.34 1.01 -1.26 -5.12 121.20 117.56 2qi5 s ILE 3 Ca 0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 2qi5 s ILE 3 Cb -0.13 -2.09 0.12 0.00 0.01 0.00 0.00 42.46 40.37 2qi5 s ILE 3 CO 0.02 0.50 1.13 0.42 0.00 0.00 0.00 174.94 177.01 2qi5 s THR 4 N 1.21 2.13 -0.11 2.92 -4.23 -1.26 -5.03 115.64 111.26 2qi5 s THR 4 Ca 0.02 -0.21 0.15 0.00 -1.18 0.00 0.00 61.69 60.47 2qi5 s THR 4 Cb -0.14 -2.91 0.26 0.00 1.34 0.00 0.00 72.50 71.05 2qi5 s THR 4 CO -0.07 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.32 2qi5 n LEU 5 N -3.23 1.98 0.22 4.79 4.77 -1.26 -4.57 117.00 119.71 2qi5 n LEU 5 Ca 0.12 -2.82 0.06 0.00 -0.03 0.00 0.00 56.01 53.34 2qi5 n LEU 5 Cb 0.60 -0.36 0.50 0.00 -2.33 0.00 0.00 43.42 41.83 2qi5 n LEU 5 CO 0.49 0.70 0.84 -0.50 -1.33 0.00 0.00 177.39 177.59 2qi5 h TRP 6 N 0.12 0.00 -1.93 -1.77 4.06 -2.07 -3.43 115.95 110.93 2qi5 h TRP 6 Ca -0.00 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.33 2qi5 h TRP 6 Cb 1.08 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.11 2qi5 h TRP 6 CO 0.09 0.25 -0.67 0.15 -3.56 0.00 0.00 178.44 174.70 2qi5 s LYS 7 N -4.29 1.85 0.26 0.49 1.02 -1.26 -5.11 119.74 112.69 2qi5 s LYS 7 Ca -0.03 -1.92 -0.31 0.00 0.02 0.00 0.00 55.97 53.73 2qi5 s LYS 7 Cb 0.14 -1.73 -0.11 0.00 -0.52 0.00 0.00 37.83 35.61 2qi5 s LYS 7 CO 0.68 0.14 1.62 1.03 -0.92 0.00 0.00 175.35 177.90 2qi5 s ARG 8 N -3.62 4.13 -1.15 1.68 0.52 -1.26 -4.87 118.95 114.37 2qi5 s ARG 8 Ca 0.33 2.56 -0.18 0.00 -0.52 0.00 0.00 55.73 57.92 2qi5 s ARG 8 Cb 0.02 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.40 2qi5 s ARG 8 CO 0.17 -0.66 2.08 -0.35 0.02 0.00 0.00 175.30 176.56 2qi5 n PRO 9 N 2.80 2.26 -3.18 3.54 -0.04 -1.26 -4.92 135.00 134.21 2qi5 n PRO 9 Ca 0.11 -2.30 -0.39 0.00 -0.04 0.00 0.00 63.50 60.88 2qi5 n PRO 9 Cb 0.37 -3.15 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 2qi5 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi5 s LEU 10 N 2.05 4.41 0.10 1.53 1.43 -1.26 -0.97 118.68 125.97 2qi5 s LEU 10 Ca 0.52 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.82 2qi5 s LEU 10 Cb 0.13 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2qi5 s LEU 10 CO 0.01 0.08 -0.05 0.68 0.23 0.00 0.00 176.35 177.30 2qi5 s VAL 11 N -0.13 0.63 0.03 -1.59 -7.23 -0.13 -4.93 120.40 107.05 2qi5 s VAL 11 Ca 0.32 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.30 2qi5 s VAL 11 Cb -0.18 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2qi5 s VAL 11 CO 0.18 -0.85 0.83 -0.89 -0.31 0.00 0.00 175.10 174.06 2qi5 s THR 12 N -3.67 4.76 0.18 5.32 2.01 -1.26 -0.88 115.64 122.10 2qi5 s THR 12 Ca 0.13 1.75 0.11 0.00 0.31 0.00 0.00 61.69 63.98 2qi5 s THR 12 Cb 0.06 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2qi5 s THR 12 CO -0.04 0.31 -0.22 0.27 -0.69 0.00 0.00 174.62 174.25 2qi5 s ILE 13 N 0.25 2.51 -0.15 1.82 -4.36 0.79 -2.08 121.20 119.99 2qi5 s ILE 13 Ca 0.42 -1.89 -0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2qi5 s ILE 13 Cb -0.21 -2.20 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 2qi5 s ILE 13 CO 0.24 -0.07 -0.14 -0.60 0.24 0.00 0.00 174.94 174.61 2qi5 s ARG 14 N -2.57 3.27 -0.10 0.37 3.52 -0.14 -1.21 118.95 122.11 2qi5 s ARG 14 Ca 0.20 -0.72 -0.05 0.00 -0.13 0.00 0.00 55.73 55.02 2qi5 s ARG 14 Cb -0.09 -2.65 0.04 0.00 -1.56 0.00 0.00 34.95 30.70 2qi5 s ARG 14 CO 0.10 0.07 0.23 -1.50 -0.81 0.00 0.00 175.30 173.39 2qi5 s ILE 15 N 0.71 -0.03 -1.12 4.11 2.07 -0.42 -1.49 121.20 125.03 2qi5 s ILE 15 Ca -0.07 0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.24 2qi5 s ILE 15 Cb -0.15 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.12 2qi5 s ILE 15 CO 0.02 0.05 0.29 0.61 -1.91 0.00 0.00 174.94 174.00 2qi5 n GLY 16 N 4.00 -0.49 2.73 1.50 0.00 -1.26 -0.90 105.19 110.77 2qi5 n GLY 16 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2qi5 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi5 n GLY 17 N -1.00 0.87 3.57 -0.02 0.00 -1.26 -5.04 105.19 102.30 2qi5 n GLY 17 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 2qi5 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qi5 s GLN 18 N -0.00 2.45 -0.02 1.61 0.74 -0.07 -5.11 119.66 119.25 2qi5 s GLN 18 Ca 0.00 -0.78 -0.18 0.00 0.05 0.00 0.00 55.36 54.45 2qi5 s GLN 18 Cb 0.00 -2.44 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 2qi5 s GLN 18 CO 0.00 0.59 0.50 -0.51 -0.55 0.00 0.00 175.29 175.31 2qi5 s LEU 19 N -1.46 4.42 0.05 3.68 1.43 -1.26 -1.30 118.68 124.24 2qi5 s LEU 19 Ca 0.17 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2qi5 s LEU 19 Cb -0.11 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 2qi5 s LEU 19 CO 0.07 0.18 -0.02 -0.54 0.23 0.00 0.00 176.35 176.28 2qi5 s LYS 20 N -0.44 0.60 -0.14 1.70 1.02 -0.35 -4.99 119.74 117.15 2qi5 s LYS 20 Ca 0.27 -1.16 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 2qi5 s LYS 20 Cb -0.17 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.30 2qi5 s LYS 20 CO 0.14 -0.11 0.17 -1.21 -0.92 0.00 0.00 175.35 173.42 2qi5 s GLU 21 N -3.73 3.82 0.02 1.68 0.41 -1.26 -0.15 118.70 119.49 2qi5 s GLU 21 Ca 0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 54.97 54.51 2qi5 s GLU 21 Cb 0.07 -3.30 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 2qi5 s GLU 21 CO -0.09 0.55 -0.02 0.00 -0.49 0.00 0.00 175.26 175.21 2qi5 s ALA 22 N -0.40 0.12 -0.21 5.21 0.00 -0.05 -4.53 121.76 121.91 2qi5 s ALA 22 Ca 0.13 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 2qi5 s ALA 22 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2qi5 s ALA 22 CO 0.03 -0.19 0.42 -1.17 0.00 0.00 0.00 175.76 174.85 2qi5 s LEU 23 N -1.60 4.15 -0.43 0.00 2.96 0.48 -0.95 118.68 123.28 2qi5 s LEU 23 Ca -0.14 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 2qi5 s LEU 23 Cb -0.08 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2qi5 s LEU 23 CO -0.02 -0.10 1.38 -0.76 -1.32 0.00 0.00 176.35 175.53 2qi5 s LEU 24 N 1.42 3.57 -0.39 -0.68 1.43 -0.15 -0.18 118.68 123.70 2qi5 s LEU 24 Ca 0.20 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2qi5 s LEU 24 Cb -0.15 -3.51 0.12 0.00 0.03 0.00 0.00 46.19 42.68 2qi5 s LEU 24 CO 0.08 -1.44 0.16 -0.62 0.23 0.00 0.00 176.35 174.77 2qi5 s ASP 25 N 3.83 4.09 0.50 2.29 -1.08 -0.39 -4.78 116.67 121.12 2qi5 s ASP 25 Ca 0.59 -2.31 0.33 0.00 -0.52 0.00 0.00 52.55 50.64 2qi5 s ASP 25 Cb -0.13 -1.20 1.42 0.00 -1.46 0.00 0.00 42.92 41.56 2qi5 s ASP 25 CO 0.32 -0.33 1.97 0.71 0.52 0.00 0.00 175.17 178.36 2qi5 h THR 26 N 5.92 0.00 -0.02 1.71 1.35 -1.93 -2.12 112.91 117.82 2qi5 h THR 26 Ca -0.06 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2qi5 h THR 26 Cb 0.97 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2qi5 h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2qi5 n GLY 27 N -0.17 -0.68 3.41 5.82 0.00 -1.26 -4.80 105.19 107.51 2qi5 n GLY 27 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2qi5 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi5 s ALA 28 N -1.97 2.99 0.17 4.61 0.00 -0.79 -4.99 121.76 121.78 2qi5 s ALA 28 Ca 0.38 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 2qi5 s ALA 28 Cb 0.18 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.56 2qi5 s ALA 28 CO 0.30 -0.29 1.68 -0.44 0.00 0.00 0.00 175.76 177.01 2qi5 h ASP 29 N 7.81 0.89 -2.09 0.00 3.32 -1.87 0.14 116.42 124.62 2qi5 h ASP 29 Ca -0.38 -0.23 -0.56 0.00 0.02 0.00 0.00 57.03 55.88 2qi5 h ASP 29 Cb 1.17 -0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.39 2qi5 h ASP 29 CO 0.60 0.89 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.57 2qi5 s ASP 30 N -6.26 4.42 -0.22 6.45 1.01 -1.26 -2.91 116.67 117.90 2qi5 s ASP 30 Ca -0.13 -0.77 -0.12 0.00 0.71 0.00 0.00 52.55 52.24 2qi5 s ASP 30 Cb 0.13 -0.72 -0.05 0.00 1.01 0.00 0.00 42.92 43.29 2qi5 s ASP 30 CO 0.82 -0.10 0.23 -0.89 0.21 0.00 0.00 175.17 175.44 2qi5 s THR 31 N -2.40 5.32 -0.07 -1.27 2.01 -1.26 -3.46 115.64 114.51 2qi5 s THR 31 Ca 0.33 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 2qi5 s THR 31 Cb -0.04 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.92 2qi5 s THR 31 CO 0.20 0.34 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 2qi5 s VAL 32 N 0.98 0.55 0.17 3.82 1.01 -0.50 -0.93 120.40 125.51 2qi5 s VAL 32 Ca 0.11 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2qi5 s VAL 32 Cb -0.13 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2qi5 s VAL 32 CO 0.05 0.27 -0.06 -0.76 0.00 0.00 0.00 175.10 174.61 2qi5 s LEU 33 N 1.65 3.12 0.83 3.92 1.43 0.12 -0.41 118.68 129.35 2qi5 s LEU 33 Ca 0.01 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.50 2qi5 s LEU 33 Cb -0.13 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.39 2qi5 s LEU 33 CO -0.04 0.10 1.20 -1.61 0.23 0.00 0.00 176.35 176.22 2qi5 s GLU 34 N -2.84 1.48 0.14 1.70 2.02 -1.26 -1.43 118.70 118.52 2qi5 s GLU 34 Ca 0.26 1.72 -0.35 0.00 0.02 0.00 0.00 54.97 56.62 2qi5 s GLU 34 Cb -0.09 -1.76 -0.15 0.00 0.10 0.00 0.00 34.13 32.22 2qi5 s GLU 34 CO 0.17 -2.32 1.40 0.39 0.02 0.00 0.00 175.26 174.91 2qi5 n GLU 35 N -3.51 1.57 -3.77 1.61 1.02 -1.18 -4.55 120.64 111.83 2qi5 n GLU 35 Ca 0.13 0.56 -0.06 0.00 -0.02 0.00 0.00 57.16 57.78 2qi5 n GLU 35 Cb 0.51 -2.23 -0.02 0.00 -0.02 0.00 0.00 31.44 29.68 2qi5 n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qi5 s MET 36 N 0.40 1.47 -0.08 3.49 0.23 -1.26 -5.01 119.30 118.53 2qi5 s MET 36 Ca 0.79 -0.78 -0.17 0.00 -1.03 0.00 0.00 55.69 54.50 2qi5 s MET 36 Cb -0.82 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.95 2qi5 s MET 36 CO 0.45 -0.67 0.44 -0.80 -2.03 0.00 0.00 175.02 172.41 2qi5 s ASN 37 N -2.89 6.71 0.04 -1.18 0.02 -1.26 -5.03 114.94 111.34 2qi5 s ASN 37 Ca 0.10 0.84 0.04 0.00 -1.02 0.00 0.00 52.86 52.83 2qi5 s ASN 37 Cb -0.04 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 38.95 2qi5 s ASN 37 CO 0.03 0.12 -0.13 -0.76 0.02 0.00 0.00 177.10 176.38 2qi5 s LEU 38 N 0.02 2.18 0.68 0.60 1.43 -1.26 -5.02 118.68 117.31 2qi5 s LEU 38 Ca 0.24 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2qi5 s LEU 38 Cb -0.16 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.53 2qi5 s LEU 38 CO 0.11 -0.00 1.07 -2.16 0.23 0.00 0.00 176.35 175.60 2qi5 s PRO 39 N -1.20 2.92 0.00 1.29 0.04 -1.26 -4.94 135.00 131.85 2qi5 s PRO 39 Ca 0.00 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2qi5 s PRO 39 Cb -0.08 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2qi5 s PRO 39 CO 0.01 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.34 2qi5 n GLY 40 N -1.44 0.68 3.77 0.56 0.00 -1.26 -4.97 105.19 102.52 2qi5 n GLY 40 Ca 0.08 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 2qi5 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qi5 s LYS 41 N -1.31 4.36 0.27 1.61 3.01 -1.26 -5.08 119.74 121.33 2qi5 s LYS 41 Ca 0.00 0.85 0.09 0.00 -1.01 0.00 0.00 55.97 55.90 2qi5 s LYS 41 Cb 0.00 -3.32 -0.04 0.00 -1.01 0.00 0.00 37.83 33.46 2qi5 s LYS 41 CO 0.00 0.42 0.02 1.67 0.51 0.00 0.00 175.35 177.97 2qi5 s TRP 42 N -0.42 2.74 -0.08 3.18 1.48 -1.26 -4.64 118.94 119.94 2qi5 s TRP 42 Ca 0.33 -0.22 0.02 0.00 -1.06 0.00 0.00 56.10 55.18 2qi5 s TRP 42 Cb -0.19 -1.23 -0.02 0.00 -1.16 0.00 0.00 33.47 30.87 2qi5 s TRP 42 CO 0.20 0.60 -0.15 -1.59 -4.06 0.00 0.00 176.95 171.94 2qi5 s LYS 43 N -3.70 2.88 0.29 3.25 0.00 -0.59 -4.88 119.74 116.98 2qi5 s LYS 43 Ca 0.32 -0.72 -0.30 0.00 0.00 0.00 0.00 55.97 55.27 2qi5 s LYS 43 Cb -0.06 -2.45 -0.11 0.00 0.00 0.00 0.00 37.83 35.21 2qi5 s LYS 43 CO 0.21 0.42 1.47 -2.14 0.00 0.00 0.00 175.35 175.30 2qi5 s PRO 44 N -0.20 4.22 0.12 1.78 0.02 -1.26 -0.02 135.00 139.66 2qi5 s PRO 44 Ca -0.00 2.39 -0.08 0.00 0.02 0.00 0.00 61.00 63.33 2qi5 s PRO 44 Cb -0.13 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 2qi5 s PRO 44 CO 0.03 -0.46 0.22 0.15 -0.33 0.00 0.00 177.00 176.61 2qi5 s LYS 45 N -0.79 0.98 0.00 5.54 1.02 -0.52 -4.88 119.74 121.10 2qi5 s LYS 45 Ca 0.58 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 55.56 2qi5 s LYS 45 Cb -0.44 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.20 2qi5 s LYS 45 CO 0.48 -0.33 -0.23 -1.64 -0.92 0.00 0.00 175.35 172.71 2qi5 s MET 46 N -3.92 1.75 0.10 1.68 -1.94 -1.26 -0.41 119.30 115.31 2qi5 s MET 46 Ca 0.11 -0.88 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 2qi5 s MET 46 Cb 0.04 -1.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.09 2qi5 s MET 46 CO -0.05 0.47 -0.10 0.96 -0.01 0.00 0.00 175.02 176.29 2qi5 s ILE 47 N -0.62 0.98 0.13 2.53 -4.36 -0.72 -4.97 121.20 114.17 2qi5 s ILE 47 Ca 0.09 -1.71 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 2qi5 s ILE 47 Cb -0.09 -1.44 -0.04 0.00 1.25 0.00 0.00 42.46 42.14 2qi5 s ILE 47 CO 0.00 -0.59 -0.12 -0.83 0.24 0.00 0.00 174.94 173.64 2qi5 s GLY 48 N -2.56 1.07 0.00 6.27 0.00 -1.26 -0.71 107.32 110.13 2qi5 s GLY 48 Ca 0.07 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.41 2qi5 s GLY 48 CO 0.00 -1.46 0.00 0.61 0.00 0.00 0.00 173.10 172.25 2qi5 n GLY 49 N 0.18 3.88 3.72 0.20 0.00 -0.64 -5.00 105.19 107.53 2qi5 n GLY 49 Ca -0.13 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2qi5 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qi5 s ILE 50 N -0.35 3.45 0.00 -0.61 1.01 -1.26 -2.98 121.20 120.45 2qi5 s ILE 50 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2qi5 s ILE 50 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2qi5 s ILE 50 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2qi5 n GLY 51 N 2.97 2.06 0.00 6.18 0.00 -1.26 -4.96 105.19 110.17 2qi5 n GLY 51 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2qi5 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi5 n GLY 52 N -2.00 0.32 3.58 -0.02 0.00 -1.16 -5.07 105.19 100.84 2qi5 n GLY 52 Ca 0.00 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.73 2qi5 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi5 s PHE 53 N -0.55 2.76 0.18 1.61 0.40 -1.26 -1.62 117.98 119.50 2qi5 s PHE 53 Ca 0.00 -0.14 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 2qi5 s PHE 53 Cb 0.00 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 2qi5 s PHE 53 CO 0.00 0.42 -0.14 0.96 0.70 0.00 0.00 175.22 177.17 2qi5 s ILE 54 N -1.20 1.57 -0.09 0.64 -4.36 0.11 -4.98 121.20 112.89 2qi5 s ILE 54 Ca 0.21 -2.12 -0.18 0.00 -0.26 0.00 0.00 60.65 58.30 2qi5 s ILE 54 Cb -0.11 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.61 2qi5 s ILE 54 CO 0.13 -0.61 0.49 -0.54 0.24 0.00 0.00 174.94 174.66 2qi5 s LYS 55 N -3.55 4.31 0.29 0.37 1.02 -1.26 -1.75 119.74 119.17 2qi5 s LYS 55 Ca 0.20 0.50 0.04 0.00 0.02 0.00 0.00 55.97 56.72 2qi5 s LYS 55 Cb -0.01 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.84 2qi5 s LYS 55 CO 0.05 0.22 0.03 0.14 -0.92 0.00 0.00 175.35 174.87 2qi5 s VAL 56 N 0.39 1.16 -0.23 3.17 -7.23 0.45 -4.37 120.40 113.74 2qi5 s VAL 56 Ca 0.27 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 2qi5 s VAL 56 Cb -0.16 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 2qi5 s VAL 56 CO 0.12 -0.12 0.06 -0.13 -0.31 0.00 0.00 175.10 174.71 2qi5 s ARG 57 N -3.87 3.69 -0.28 4.82 0.52 0.54 -1.44 118.95 122.92 2qi5 s ARG 57 Ca 0.34 -0.47 -0.18 0.00 -0.52 0.00 0.00 55.73 54.89 2qi5 s ARG 57 Cb 0.07 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 2qi5 s ARG 57 CO 0.13 -0.10 0.54 -1.14 0.02 0.00 0.00 175.30 174.76 2qi5 s GLN 58 N 1.36 3.98 -0.16 3.54 0.74 0.97 -1.02 119.66 129.06 2qi5 s GLN 58 Ca 0.05 0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.68 2qi5 s GLN 58 Cb -0.15 -3.69 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 2qi5 s GLN 58 CO 0.03 -0.44 -0.00 0.71 -0.55 0.00 0.00 175.29 175.04 2qi5 s TYR 59 N 2.39 3.10 0.11 1.67 1.51 -0.28 -1.53 117.35 124.32 2qi5 s TYR 59 Ca 0.22 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 2qi5 s TYR 59 Cb -0.15 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2qi5 s TYR 59 CO 0.10 0.06 0.18 -0.51 -1.11 0.00 0.00 175.55 174.27 2qi5 s ASP 60 N 0.27 5.96 -1.28 2.29 1.01 -1.26 -0.75 116.67 122.91 2qi5 s ASP 60 Ca -0.01 0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 2qi5 s ASP 60 Cb -0.13 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.08 2qi5 s ASP 60 CO 0.02 0.12 0.82 0.00 0.21 0.00 0.00 175.17 176.34 2qi5 n GLN 61 N -0.01 -5.56 -3.70 8.23 1.13 -1.12 -4.92 117.38 111.43 2qi5 n GLN 61 Ca -0.07 0.70 -0.37 0.00 -1.94 0.00 0.00 57.00 55.32 2qi5 n GLN 61 Cb 0.53 -5.43 -0.10 0.00 0.11 0.00 0.00 30.24 25.34 2qi5 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi5 s ILE 62 N -3.55 5.10 0.14 5.09 -1.09 0.16 -4.73 121.20 122.33 2qi5 s ILE 62 Ca 0.03 0.09 -0.31 0.00 -2.23 0.00 0.00 60.65 58.24 2qi5 s ILE 62 Cb -0.02 -3.39 -0.08 0.00 -1.58 0.00 0.00 42.46 37.40 2qi5 s ILE 62 CO 0.78 0.33 1.33 -2.84 -1.23 0.00 0.00 174.94 173.31 2qi5 s PRO 63 N 1.26 4.37 -0.03 2.79 0.02 -1.26 -1.60 135.00 140.55 2qi5 s PRO 63 Ca 0.07 2.02 0.01 0.00 0.02 0.00 0.00 61.00 63.12 2qi5 s PRO 63 Cb -0.14 -3.24 0.02 0.00 0.02 0.00 0.00 34.50 31.16 2qi5 s PRO 63 CO 0.06 -0.33 -0.02 0.42 -0.33 0.00 0.00 177.00 176.80 2qi5 s ILE 64 N 0.67 0.28 -0.28 2.83 1.01 -0.10 -4.39 121.20 121.22 2qi5 s ILE 64 Ca 0.60 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.13 2qi5 s ILE 64 Cb -0.36 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 2qi5 s ILE 64 CO 0.33 0.15 0.19 -0.70 0.00 0.00 0.00 174.94 174.91 2qi5 s GLU 65 N 0.78 3.95 -0.32 2.79 2.12 -0.56 -0.52 118.70 126.94 2qi5 s GLU 65 Ca -0.08 -0.32 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 2qi5 s GLU 65 Cb -0.12 -3.65 0.06 0.00 0.26 0.00 0.00 34.13 30.68 2qi5 s GLU 65 CO -0.01 -0.18 0.04 0.42 -0.54 0.00 0.00 175.26 174.99 2qi5 s ILE 66 N 1.75 3.03 -1.51 -3.70 1.01 0.10 -0.96 121.20 120.91 2qi5 s ILE 66 Ca 0.07 -1.52 -0.13 0.00 0.00 0.00 0.00 60.65 59.07 2qi5 s ILE 66 Cb -0.16 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.58 2qi5 s ILE 66 CO 0.11 -0.22 0.91 0.00 0.00 0.00 0.00 174.94 175.74 2qi5 n GLY 68 N -1.63 0.81 3.42 0.00 0.00 -1.26 -5.03 105.19 101.50 2qi5 n GLY 68 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2qi5 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi5 s HIS 69 N -3.14 2.93 0.19 1.61 4.02 -0.28 -5.10 115.29 115.52 2qi5 s HIS 69 Ca 0.00 -0.52 -0.29 0.00 1.02 0.00 0.00 55.06 55.27 2qi5 s HIS 69 Cb 0.00 -1.94 -0.08 0.00 -1.02 0.00 0.00 32.58 29.55 2qi5 s HIS 69 CO 0.00 -0.18 0.91 -1.59 1.02 0.00 0.00 174.74 174.90 2qi5 s LYS 70 N 0.52 4.76 0.08 1.40 0.00 -1.26 0.01 119.74 125.25 2qi5 s LYS 70 Ca -0.05 1.41 0.02 0.00 0.00 0.00 0.00 55.97 57.34 2qi5 s LYS 70 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 37.83 34.34 2qi5 s LYS 70 CO 0.03 0.45 -0.07 0.00 0.00 0.00 0.00 175.35 175.76 2qi5 s ALA 71 N -0.86 0.83 -0.17 0.59 0.00 0.33 -4.67 121.76 117.81 2qi5 s ALA 71 Ca 0.41 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 2qi5 s ALA 71 Cb -0.25 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.06 2qi5 s ALA 71 CO 0.30 -0.17 0.13 0.42 0.00 0.00 0.00 175.76 176.44 2qi5 s ILE 72 N -2.90 -0.16 0.00 0.00 1.01 -1.26 -0.92 121.20 116.97 2qi5 s ILE 72 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2qi5 s ILE 72 Cb 0.00 -0.56 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2qi5 s ILE 72 CO -0.03 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.31 2qi5 n GLY 73 N 5.29 2.18 3.71 6.18 0.00 -0.63 -4.76 105.19 117.17 2qi5 n GLY 73 Ca -0.06 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2qi5 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi5 s THR 74 N -2.84 4.51 -0.12 2.61 2.01 -1.26 -0.66 115.64 119.89 2qi5 s THR 74 Ca 0.00 1.80 0.01 0.00 0.31 0.00 0.00 61.69 63.81 2qi5 s THR 74 Cb 0.00 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.38 2qi5 s THR 74 CO 0.00 0.13 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.25 2qi5 s VAL 75 N 1.08 1.35 -0.01 3.82 1.01 0.07 -4.49 120.40 123.23 2qi5 s VAL 75 Ca 0.55 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 2qi5 s VAL 75 Cb -0.25 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2qi5 s VAL 75 CO 0.28 0.42 0.35 -0.76 0.00 0.00 0.00 175.10 175.39 2qi5 s LEU 76 N 1.36 4.43 -0.09 3.92 1.43 -0.10 -1.12 118.68 128.50 2qi5 s LEU 76 Ca 0.01 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 2qi5 s LEU 76 Cb -0.13 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.52 2qi5 s LEU 76 CO -0.07 0.31 -0.14 -0.69 0.23 0.00 0.00 176.35 175.99 2qi5 s VAL 77 N -1.15 1.36 -0.74 -1.59 1.01 -0.19 0.15 120.40 119.26 2qi5 s VAL 77 Ca 0.24 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2qi5 s VAL 77 Cb -0.15 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2qi5 s VAL 77 CO 0.13 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2qi5 n GLY 78 N 4.11 -1.07 2.00 4.51 0.00 -0.51 -0.34 105.19 113.89 2qi5 n GLY 78 Ca -0.20 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2qi5 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi5 n PRO 79 N 0.00 1.58 -2.23 1.61 -0.04 -1.26 -3.08 135.00 131.58 2qi5 n PRO 79 Ca 0.00 -0.73 -0.40 0.00 -0.04 0.00 0.00 63.50 62.34 2qi5 n PRO 79 Cb 0.00 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 2qi5 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi5 s THR 80 N 1.14 2.98 0.45 0.52 -1.32 -1.26 -4.94 115.64 113.21 2qi5 s THR 80 Ca 0.49 0.91 0.34 0.00 -1.21 0.00 0.00 61.69 62.22 2qi5 s THR 80 Cb 0.23 -3.55 0.37 0.00 -1.51 0.00 0.00 72.50 68.04 2qi5 s THR 80 CO 0.00 0.16 2.17 -0.65 -2.21 0.00 0.00 174.62 174.09 2qi5 h PRO 81 N 3.07 0.00 -3.07 7.08 0.11 -1.98 -3.43 132.00 133.79 2qi5 h PRO 81 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2qi5 h PRO 81 Cb 1.23 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.15 2qi5 h PRO 81 CO 0.64 0.05 -0.22 0.54 -0.21 0.00 0.00 178.00 178.80 2qi5 s VAL 82 N -4.13 0.06 0.05 3.15 0.11 -1.26 -5.09 120.40 113.30 2qi5 s VAL 82 Ca -0.03 -0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 2qi5 s VAL 82 Cb 0.13 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 2qi5 s VAL 82 CO 0.52 -0.28 1.70 0.20 -3.33 0.00 0.00 175.10 173.90 2qi5 s ASN 83 N -1.64 6.58 -0.15 3.54 0.01 -1.26 -4.68 114.94 117.34 2qi5 s ASN 83 Ca -0.10 2.49 0.02 0.00 -0.71 0.00 0.00 52.86 54.57 2qi5 s ASN 83 Cb -0.03 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2qi5 s ASN 83 CO 0.01 -0.92 -0.20 -0.63 -1.51 0.00 0.00 177.10 173.85 2qi5 s ILE 84 N 3.00 1.97 -0.35 0.60 1.01 0.45 -0.39 121.20 127.48 2qi5 s ILE 84 Ca 0.76 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 2qi5 s ILE 84 Cb -0.40 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2qi5 s ILE 84 CO 0.33 0.53 0.39 -0.63 0.00 0.00 0.00 174.94 175.56 2qi5 s ILE 85 N 1.03 5.14 0.44 2.92 -1.09 0.75 -1.41 121.20 128.98 2qi5 s ILE 85 Ca -0.02 0.02 0.07 0.00 -2.23 0.00 0.00 60.65 58.48 2qi5 s ILE 85 Cb -0.14 -3.87 0.07 0.00 -1.58 0.00 0.00 42.46 36.94 2qi5 s ILE 85 CO -0.06 -0.15 0.56 0.61 -1.23 0.00 0.00 174.94 174.66 2qi5 n GLY 86 N 4.96 2.10 0.26 6.18 0.00 -1.22 -1.26 105.19 116.20 2qi5 n GLY 86 Ca -0.08 -2.21 0.08 0.00 0.00 0.00 0.00 46.02 43.80 2qi5 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qi5 h ARG 87 N 0.00 0.00 -0.57 1.61 3.08 -0.74 -1.38 114.38 116.38 2qi5 h ARG 87 Ca -0.22 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.89 2qi5 h ARG 87 Cb 0.95 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 2qi5 h ARG 87 CO 0.31 0.01 0.38 -2.95 -1.07 0.00 0.00 179.97 176.66 2qi5 h ASN 88 N 0.00 0.49 0.00 7.04 -1.07 -1.79 -1.99 115.58 118.25 2qi5 h ASN 88 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.05 2qi5 h ASN 88 Cb 0.02 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 36.10 2qi5 h ASN 88 CO 0.00 0.32 -2.32 0.18 0.07 0.00 0.00 177.43 175.68 2qi5 n LEU 89 N -4.47 0.00 -0.32 6.14 4.77 -0.88 -4.06 117.00 118.17 2qi5 n LEU 89 Ca 0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2qi5 n LEU 89 Cb 0.23 0.43 0.16 0.00 -2.33 0.00 0.00 43.42 41.91 2qi5 n LEU 89 CO 0.34 0.43 1.27 -0.07 -1.33 0.00 0.00 177.39 178.04 2qi5 h LEU 90 N 0.00 1.06 -1.08 2.23 3.38 -1.06 -1.20 115.31 118.64 2qi5 h LEU 90 Ca -0.48 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.40 2qi5 h LEU 90 Cb 2.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2qi5 h LEU 90 CO 0.03 0.77 -0.02 0.71 0.09 0.00 0.00 178.44 180.01 2qi5 h THR 91 N 1.24 1.22 -0.31 0.22 1.35 -1.55 -1.52 112.91 113.56 2qi5 h THR 91 Ca 0.33 -0.92 -0.06 0.00 -0.55 0.00 0.00 66.41 65.22 2qi5 h THR 91 Cb -0.14 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 67.22 2qi5 h THR 91 CO -0.07 0.31 -0.05 1.56 -0.25 0.00 0.00 175.52 177.02 2qi5 h GLN 92 N 0.59 0.50 -0.16 4.72 4.20 -1.38 -2.23 115.11 121.34 2qi5 h GLN 92 Ca 0.12 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qi5 h GLN 92 Cb 0.41 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2qi5 h GLN 92 CO 0.02 0.57 0.00 0.44 -0.67 0.00 0.00 178.83 179.19 2qi5 n ILE 93 N -4.25 0.21 -1.42 2.54 -5.35 -0.88 -4.93 119.36 105.27 2qi5 n ILE 93 Ca 0.01 -0.35 -0.01 0.00 -0.27 0.00 0.00 62.75 62.12 2qi5 n ILE 93 Cb 0.28 0.40 -0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2qi5 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi5 n GLY 94 N 1.14 0.41 3.72 3.28 0.00 -0.84 -5.01 105.19 107.90 2qi5 n GLY 94 Ca 0.16 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2qi5 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi5 s THR 96 N 0.38 0.87 -0.04 0.00 -4.23 -1.26 -4.66 115.64 106.70 2qi5 s THR 96 Ca 0.52 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 2qi5 s THR 96 Cb -0.27 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 2qi5 s THR 96 CO 0.31 -0.64 0.28 -0.76 -0.54 0.00 0.00 174.62 173.27 2qi5 s LEU 97 N -3.15 4.42 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.79 2qi5 s LEU 97 Ca 0.19 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2qi5 s LEU 97 Cb 0.05 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.87 2qi5 s LEU 97 CO 0.01 0.34 0.02 0.20 0.23 0.00 0.00 176.35 177.15 2qi5 s ASN 98 N -1.20 0.04 0.00 2.29 0.01 -1.26 -5.29 114.94 109.53 2qi5 s ASN 98 Ca 0.21 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.40 2qi5 s ASN 98 Cb -0.14 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.48 2qi5 s ASN 98 CO 0.10 -0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.83