#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 2.89 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.26 2qi5 s GLN 2 Ca 0.00 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.65 2qi5 s GLN 2 Cb 0.00 -2.40 0.03 0.00 1.10 0.00 0.00 33.01 31.74 2qi5 s GLN 2 CO 0.00 0.36 -0.16 0.42 -0.55 0.00 0.00 175.29 175.36 2qi5 s ILE 3 N -0.07 2.02 0.88 -2.34 1.01 -1.26 -5.12 121.20 116.33 2qi5 s ILE 3 Ca -0.04 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 2qi5 s ILE 3 Cb -0.14 -1.94 0.12 0.00 0.01 0.00 0.00 42.46 40.51 2qi5 s ILE 3 CO 0.04 0.34 1.16 0.42 0.00 0.00 0.00 174.94 176.90 2qi5 s THR 4 N 1.26 1.99 -0.14 2.92 -4.23 -1.26 -5.02 115.64 111.16 2qi5 s THR 4 Ca 0.01 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.69 2qi5 s THR 4 Cb -0.15 -2.84 0.31 0.00 1.34 0.00 0.00 72.50 71.15 2qi5 s THR 4 CO -0.10 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.32 2qi5 n LEU 5 N -3.62 2.36 -0.00 4.79 4.77 -1.26 -4.64 117.00 119.39 2qi5 n LEU 5 Ca 0.07 -3.18 0.02 0.00 -0.03 0.00 0.00 56.01 52.89 2qi5 n LEU 5 Cb 0.60 -0.44 0.37 0.00 -2.33 0.00 0.00 43.42 41.62 2qi5 n LEU 5 CO 0.57 0.82 1.07 -0.50 -1.33 0.00 0.00 177.39 178.02 2qi5 h TRP 6 N 0.18 0.52 -2.45 -1.77 4.06 -2.06 -3.44 115.95 110.99 2qi5 h TRP 6 Ca -0.00 -0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.41 2qi5 h TRP 6 Cb 1.01 -0.17 -0.14 0.00 -1.00 0.00 0.00 29.16 28.87 2qi5 h TRP 6 CO 0.14 0.41 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.23 2qi5 s LYS 7 N -5.28 1.76 0.19 0.49 -2.85 -1.26 -5.10 119.74 107.68 2qi5 s LYS 7 Ca -0.08 -1.98 -0.33 0.00 -1.00 0.00 0.00 55.97 52.58 2qi5 s LYS 7 Cb 0.17 -1.11 -0.13 0.00 -2.06 0.00 0.00 37.83 34.69 2qi5 s LYS 7 CO 0.74 -0.15 1.59 0.54 0.10 0.00 0.00 175.35 178.17 2qi5 n ARG 8 N -0.78 2.29 -1.57 1.78 1.74 -1.26 -4.85 116.66 114.01 2qi5 n ARG 8 Ca -0.03 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.46 2qi5 n ARG 8 Cb 0.67 -2.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 2qi5 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi5 n PRO 9 N 3.26 2.24 -3.19 5.56 -0.04 -1.26 -4.93 135.00 136.64 2qi5 n PRO 9 Ca 0.16 -2.33 -0.39 0.00 -0.04 0.00 0.00 63.50 60.90 2qi5 n PRO 9 Cb 0.31 -3.18 -0.06 0.00 -0.04 0.00 0.00 33.50 30.54 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 2.47 4.40 0.18 1.53 1.43 -1.26 -1.21 118.68 126.22 2qi5 s LEU 10 Ca 0.53 1.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.80 2qi5 s LEU 10 Cb 0.13 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.36 2qi5 s LEU 10 CO 0.02 0.07 0.02 0.68 0.23 0.00 0.00 176.35 177.37 2qi5 s VAL 11 N -0.04 0.60 -0.02 -1.59 -7.23 0.86 -4.91 120.40 108.07 2qi5 s VAL 11 Ca 0.32 -1.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.27 2qi5 s VAL 11 Cb -0.18 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2qi5 s VAL 11 CO 0.17 -0.42 0.75 -0.89 -0.31 0.00 0.00 175.10 174.40 2qi5 s THR 12 N -3.71 4.91 0.26 5.32 2.01 -1.26 -0.62 115.64 122.55 2qi5 s THR 12 Ca 0.26 1.56 0.11 0.00 0.31 0.00 0.00 61.69 63.93 2qi5 s THR 12 Cb 0.06 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2qi5 s THR 12 CO 0.05 0.29 -0.20 0.27 -0.69 0.00 0.00 174.62 174.34 2qi5 s ILE 13 N 0.46 2.38 -0.09 1.82 -4.36 0.94 -2.06 121.20 120.29 2qi5 s ILE 13 Ca 0.39 -2.34 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 2qi5 s ILE 13 Cb -0.19 -2.25 0.01 0.00 1.25 0.00 0.00 42.46 41.28 2qi5 s ILE 13 CO 0.21 -0.39 -0.16 -0.60 0.24 0.00 0.00 174.94 174.24 2qi5 s ARG 14 N -3.42 2.25 -0.04 0.37 3.52 0.62 -0.51 118.95 121.74 2qi5 s ARG 14 Ca 0.28 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.28 2qi5 s ARG 14 Cb -0.05 -1.84 0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2qi5 s ARG 14 CO 0.14 0.01 0.08 -1.50 -0.81 0.00 0.00 175.30 173.22 2qi5 s ILE 15 N 0.76 -0.10 -1.06 4.11 2.07 0.17 -0.72 121.20 126.43 2qi5 s ILE 15 Ca -0.11 0.28 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 2qi5 s ILE 15 Cb -0.16 -0.16 0.00 0.00 0.13 0.00 0.00 42.46 42.28 2qi5 s ILE 15 CO 0.02 0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.78 2qi5 n GLY 16 N 4.62 0.19 2.69 1.50 0.00 -1.26 -1.82 105.19 111.11 2qi5 n GLY 16 Ca -0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.13 0.27 3.58 -0.02 0.00 -1.26 -4.99 105.19 101.65 2qi5 n GLY 17 Ca -0.14 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.62 2.98 0.05 1.61 0.74 -0.76 -5.06 119.66 117.60 2qi5 s GLN 18 Ca 0.00 -0.52 -0.13 0.00 0.05 0.00 0.00 55.36 54.76 2qi5 s GLN 18 Cb 0.00 -2.69 -0.06 0.00 1.10 0.00 0.00 33.01 31.36 2qi5 s GLN 18 CO 0.00 0.59 0.43 -0.51 -0.55 0.00 0.00 175.29 175.25 2qi5 s LEU 19 N -0.59 4.41 0.07 3.68 1.43 -1.26 -0.65 118.68 125.77 2qi5 s LEU 19 Ca 0.09 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 54.05 2qi5 s LEU 19 Cb -0.12 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2qi5 s LEU 19 CO 0.02 0.24 0.13 -0.54 0.23 0.00 0.00 176.35 176.43 2qi5 s LYS 20 N -1.49 0.75 -0.18 1.70 1.02 0.33 -4.97 119.74 116.90 2qi5 s LYS 20 Ca 0.29 -0.97 -0.09 0.00 0.02 0.00 0.00 55.97 55.21 2qi5 s LYS 20 Cb -0.16 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.40 2qi5 s LYS 20 CO 0.16 -0.21 0.14 -1.21 -0.92 0.00 0.00 175.35 173.31 2qi5 s GLU 21 N -3.64 4.00 0.03 1.68 0.41 -1.26 -0.04 118.70 119.88 2qi5 s GLU 21 Ca 0.04 -0.18 -0.07 0.00 -0.41 0.00 0.00 54.97 54.35 2qi5 s GLU 21 Cb 0.04 -3.36 -0.00 0.00 -1.78 0.00 0.00 34.13 29.03 2qi5 s GLU 21 CO -0.10 0.42 0.13 0.00 -0.49 0.00 0.00 175.26 175.22 2qi5 s ALA 22 N 0.01 -0.19 -0.17 5.21 0.00 0.21 -4.42 121.76 122.42 2qi5 s ALA 22 Ca 0.10 -0.40 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 2qi5 s ALA 22 Cb -0.11 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2qi5 s ALA 22 CO -0.00 -0.30 0.45 -1.17 0.00 0.00 0.00 175.76 174.74 2qi5 s LEU 23 N -1.94 4.20 -0.50 0.00 2.96 -0.02 -0.10 118.68 123.28 2qi5 s LEU 23 Ca -0.07 0.67 -0.28 0.00 -0.22 0.00 0.00 54.13 54.22 2qi5 s LEU 23 Cb -0.03 -2.63 0.03 0.00 0.50 0.00 0.00 46.19 44.07 2qi5 s LEU 23 CO -0.03 -0.07 1.12 -0.76 -1.32 0.00 0.00 176.35 175.29 2qi5 s LEU 24 N 1.11 3.66 -0.39 -0.68 1.43 -0.35 -0.54 118.68 122.93 2qi5 s LEU 24 Ca 0.23 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 2qi5 s LEU 24 Cb -0.15 -3.42 0.11 0.00 0.03 0.00 0.00 46.19 42.76 2qi5 s LEU 24 CO 0.09 -1.27 0.14 -0.62 0.23 0.00 0.00 176.35 174.91 2qi5 s ASP 25 N 2.54 4.33 0.59 2.29 3.68 -0.33 -4.81 116.67 124.96 2qi5 s ASP 25 Ca 0.45 -2.32 0.38 0.00 2.13 0.00 0.00 52.55 53.20 2qi5 s ASP 25 Cb -0.08 -1.38 1.86 0.00 -1.45 0.00 0.00 42.92 41.87 2qi5 s ASP 25 CO 0.30 -0.34 2.15 0.71 0.13 0.00 0.00 175.17 178.12 2qi5 h THR 26 N 6.12 0.00 -0.00 1.71 1.35 -1.93 -2.40 112.91 117.75 2qi5 h THR 26 Ca -0.06 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2qi5 h THR 26 Cb 0.97 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2qi5 h THR 26 CO 0.54 0.00 -0.03 0.61 -0.25 0.00 0.00 175.52 176.39 2qi5 n GLY 27 N -0.55 -0.84 3.51 5.82 0.00 -1.26 -4.81 105.19 107.06 2qi5 n GLY 27 Ca -0.01 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.22 3.30 0.09 4.61 0.00 -0.90 -4.98 121.76 121.67 2qi5 s ALA 28 Ca 0.38 -1.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 2qi5 s ALA 28 Cb 0.21 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.05 2qi5 s ALA 28 CO 0.41 -0.48 1.56 -0.44 0.00 0.00 0.00 175.76 176.81 2qi5 h ASP 29 N 8.20 0.43 -1.70 0.00 3.32 -1.87 0.24 116.42 125.05 2qi5 h ASP 29 Ca -0.37 -0.27 -0.58 0.00 0.02 0.00 0.00 57.03 55.84 2qi5 h ASP 29 Cb 1.18 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.52 2qi5 h ASP 29 CO 0.57 0.59 -0.54 -1.81 -1.72 0.00 0.00 179.24 176.33 2qi5 s ASP 30 N -5.88 4.33 -0.20 6.45 1.01 -1.26 -2.67 116.67 118.45 2qi5 s ASP 30 Ca -0.14 -1.06 -0.13 0.00 0.71 0.00 0.00 52.55 51.93 2qi5 s ASP 30 Cb 0.08 -0.50 -0.05 0.00 1.01 0.00 0.00 42.92 43.46 2qi5 s ASP 30 CO 0.74 -0.44 0.25 -0.89 0.21 0.00 0.00 175.17 175.04 2qi5 s THR 31 N -2.58 5.32 -0.15 -1.27 2.01 -1.26 -3.45 115.64 114.25 2qi5 s THR 31 Ca 0.39 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 2qi5 s THR 31 Cb 0.03 -3.59 0.04 0.00 0.01 0.00 0.00 72.50 68.99 2qi5 s THR 31 CO 0.21 0.36 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.75 2qi5 s VAL 32 N 0.80 1.07 0.03 3.82 1.01 -0.33 -0.46 120.40 126.34 2qi5 s VAL 32 Ca 0.13 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.58 2qi5 s VAL 32 Cb -0.13 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2qi5 s VAL 32 CO 0.04 0.17 0.01 -0.76 0.00 0.00 0.00 175.10 174.57 2qi5 s LEU 33 N 1.66 3.56 0.83 3.92 1.43 0.13 -0.10 118.68 130.12 2qi5 s LEU 33 Ca 0.02 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 2qi5 s LEU 33 Cb -0.15 -2.12 0.06 0.00 0.03 0.00 0.00 46.19 44.01 2qi5 s LEU 33 CO -0.08 0.25 0.92 -0.62 0.23 0.00 0.00 176.35 177.05 2qi5 n GLU 34 N 1.11 0.04 -1.68 1.70 1.02 -1.26 -1.85 120.64 119.73 2qi5 n GLU 34 Ca -0.13 0.08 -0.57 0.00 -0.02 0.00 0.00 57.16 56.52 2qi5 n GLU 34 Cb 0.52 -2.21 -0.07 0.00 -0.02 0.00 0.00 31.44 29.67 2qi5 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qi5 n GLU 35 N -2.60 1.06 -3.73 3.49 4.07 -1.08 -4.56 120.64 117.30 2qi5 n GLU 35 Ca 0.11 0.39 -0.14 0.00 -0.06 0.00 0.00 57.16 57.47 2qi5 n GLU 35 Cb 0.51 -2.05 -0.08 0.00 -0.06 0.00 0.00 31.44 29.76 2qi5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qi5 s MET 36 N 2.69 0.75 -1.28 5.31 0.23 -1.26 -5.03 119.30 120.70 2qi5 s MET 36 Ca 0.95 -0.20 -0.07 0.00 -1.03 0.00 0.00 55.69 55.34 2qi5 s MET 36 Cb -1.07 0.33 0.16 0.00 -1.53 0.00 0.00 34.83 32.72 2qi5 s MET 36 CO 0.62 -0.22 2.09 -1.71 -2.03 0.00 0.00 175.02 173.77 2qi5 n ASN 37 N 1.08 6.59 -4.77 -1.18 4.05 -1.26 -4.98 115.26 114.79 2qi5 n ASN 37 Ca -0.21 -3.15 -0.41 0.00 0.45 0.00 0.00 54.58 51.26 2qi5 n ASN 37 Cb 0.57 -1.41 -0.02 0.00 1.23 0.00 0.00 39.78 40.16 2qi5 n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qi5 s LEU 38 N -1.30 4.40 0.72 1.20 1.43 -1.26 -5.02 118.68 118.85 2qi5 s LEU 38 Ca 0.46 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 56.21 2qi5 s LEU 38 Cb 0.14 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.73 2qi5 s LEU 38 CO -0.04 -0.62 1.07 -2.16 0.23 0.00 0.00 176.35 174.83 2qi5 s PRO 39 N -1.72 2.76 0.00 1.29 0.04 -1.26 -4.98 135.00 131.13 2qi5 s PRO 39 Ca 0.51 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2qi5 s PRO 39 Cb -0.41 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2qi5 s PRO 39 CO 0.54 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2qi5 n GLY 40 N -2.02 1.19 3.83 0.56 0.00 -1.26 -5.03 105.19 102.46 2qi5 n GLY 40 Ca 0.07 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 2qi5 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi5 s LYS 41 N -1.63 3.27 0.25 1.61 0.00 -1.26 -5.08 119.74 116.90 2qi5 s LYS 41 Ca 0.00 0.95 -0.16 0.00 0.00 0.00 0.00 55.97 56.76 2qi5 s LYS 41 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 37.83 35.80 2qi5 s LYS 41 CO 0.00 -0.83 0.55 1.67 0.00 0.00 0.00 175.35 176.74 2qi5 s TRP 42 N -2.93 0.17 0.03 1.78 1.48 -1.26 -4.61 118.94 113.59 2qi5 s TRP 42 Ca 0.58 -0.56 0.06 0.00 -1.06 0.00 0.00 56.10 55.12 2qi5 s TRP 42 Cb -0.13 0.36 -0.02 0.00 -1.16 0.00 0.00 33.47 32.51 2qi5 s TRP 42 CO 0.49 -1.06 -0.18 0.15 -4.06 0.00 0.00 176.95 172.29 2qi5 s LYS 43 N -3.98 1.26 0.45 3.25 1.02 -0.66 -4.90 119.74 116.17 2qi5 s LYS 43 Ca 0.18 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 55.15 2qi5 s LYS 43 Cb -0.02 -1.30 -0.08 0.00 -0.52 0.00 0.00 37.83 35.90 2qi5 s LYS 43 CO 0.08 0.34 1.10 -1.25 -0.92 0.00 0.00 175.35 174.70 2qi5 s PRO 44 N -0.96 3.89 0.10 -1.68 0.04 -1.26 -0.02 135.00 135.11 2qi5 s PRO 44 Ca 0.06 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.55 2qi5 s PRO 44 Cb -0.08 -2.39 0.03 0.00 0.04 0.00 0.00 34.50 32.10 2qi5 s PRO 44 CO 0.01 -0.40 0.36 0.21 0.04 0.00 0.00 177.00 177.22 2qi5 s LYS 45 N -2.74 1.00 -0.05 4.56 2.20 -0.64 -4.87 119.74 119.20 2qi5 s LYS 45 Ca 0.63 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 2qi5 s LYS 45 Cb -0.24 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2qi5 s LYS 45 CO 0.29 -0.37 -0.25 -1.64 -0.36 0.00 0.00 175.35 173.02 2qi5 s MET 46 N -3.56 2.42 -0.00 4.03 -1.94 -1.26 -0.80 119.30 118.18 2qi5 s MET 46 Ca 0.02 -0.90 0.04 0.00 -1.71 0.00 0.00 55.69 53.14 2qi5 s MET 46 Cb 0.02 -2.11 -0.01 0.00 2.01 0.00 0.00 34.83 34.74 2qi5 s MET 46 CO -0.10 0.41 -0.14 0.96 -0.01 0.00 0.00 175.02 176.14 2qi5 s ILE 47 N -0.25 1.10 -0.14 2.53 -4.36 -0.66 -4.98 121.20 114.44 2qi5 s ILE 47 Ca -0.01 -0.65 -0.06 0.00 -0.26 0.00 0.00 60.65 59.68 2qi5 s ILE 47 Cb -0.13 -0.93 -0.04 0.00 1.25 0.00 0.00 42.46 42.61 2qi5 s ILE 47 CO 0.03 0.27 0.07 -0.83 0.24 0.00 0.00 174.94 174.72 2qi5 s GLY 48 N -0.43 1.98 0.00 6.27 0.00 -1.26 -0.95 107.32 112.92 2qi5 s GLY 48 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.04 2qi5 s GLY 48 CO -0.00 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.48 2qi5 n GLY 49 N 2.71 4.63 0.31 0.20 0.00 0.56 -4.98 105.19 108.62 2qi5 n GLY 49 Ca -0.18 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.05 2qi5 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qi5 h ILE 50 N 0.76 0.82 -0.09 -0.61 2.10 -2.03 -2.47 117.51 116.00 2qi5 h ILE 50 Ca 0.00 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.69 2qi5 h ILE 50 Cb 0.00 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 35.76 2qi5 h ILE 50 CO 0.00 0.13 0.00 0.61 -1.08 0.00 0.00 178.15 177.81 2qi5 n GLY 51 N -1.32 1.06 0.00 8.18 0.00 -1.26 -5.06 105.19 106.78 2qi5 n GLY 51 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.37 0.90 3.77 -0.02 0.00 -0.93 -5.12 105.19 105.16 2qi5 n GLY 52 Ca 0.15 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.22 3.15 0.21 1.61 0.40 -1.26 -0.32 117.98 118.55 2qi5 s PHE 53 Ca 0.00 0.04 0.11 0.00 -0.60 0.00 0.00 56.93 56.48 2qi5 s PHE 53 Cb 0.00 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 2qi5 s PHE 53 CO 0.00 0.52 -0.22 0.96 0.70 0.00 0.00 175.22 177.18 2qi5 s ILE 54 N -1.44 2.28 -0.07 0.64 -4.36 -0.12 -4.96 121.20 113.16 2qi5 s ILE 54 Ca 0.29 -2.12 -0.24 0.00 -0.26 0.00 0.00 60.65 58.33 2qi5 s ILE 54 Cb -0.12 -2.12 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 2qi5 s ILE 54 CO 0.22 -0.24 0.71 -0.54 0.24 0.00 0.00 174.94 175.33 2qi5 s LYS 55 N -2.94 4.43 0.21 0.37 1.02 -1.26 -1.66 119.74 119.91 2qi5 s LYS 55 Ca 0.22 0.89 0.04 0.00 0.02 0.00 0.00 55.97 57.14 2qi5 s LYS 55 Cb -0.07 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 2qi5 s LYS 55 CO 0.10 0.05 -0.03 0.14 -0.92 0.00 0.00 175.35 174.70 2qi5 s VAL 56 N 0.85 1.05 -0.22 3.17 -7.23 0.02 -4.45 120.40 113.58 2qi5 s VAL 56 Ca 0.38 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2qi5 s VAL 56 Cb -0.18 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2qi5 s VAL 56 CO 0.18 -0.44 0.04 -0.13 -0.31 0.00 0.00 175.10 174.44 2qi5 s ARG 57 N -3.84 3.66 -0.36 4.82 0.52 0.62 -1.63 118.95 122.75 2qi5 s ARG 57 Ca 0.25 -0.49 -0.19 0.00 -0.52 0.00 0.00 55.73 54.79 2qi5 s ARG 57 Cb 0.05 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.31 2qi5 s ARG 57 CO 0.06 -0.07 0.54 -1.14 0.02 0.00 0.00 175.30 174.71 2qi5 s GLN 58 N 1.27 3.61 -0.14 3.54 0.74 0.97 -0.55 119.66 129.10 2qi5 s GLN 58 Ca 0.04 -0.14 -0.05 0.00 0.05 0.00 0.00 55.36 55.27 2qi5 s GLN 58 Cb -0.15 -3.82 -0.04 0.00 1.10 0.00 0.00 33.01 30.11 2qi5 s GLN 58 CO 0.02 -0.68 0.03 0.71 -0.55 0.00 0.00 175.29 174.82 2qi5 s TYR 59 N 2.46 3.21 0.20 1.67 1.51 -0.19 -1.66 117.35 124.56 2qi5 s TYR 59 Ca 0.20 0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.41 2qi5 s TYR 59 Cb -0.15 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 2qi5 s TYR 59 CO 0.14 0.29 0.17 -0.51 -1.11 0.00 0.00 175.55 174.53 2qi5 s ASP 60 N -0.23 5.57 -1.38 2.29 1.01 -1.26 -1.36 116.67 121.31 2qi5 s ASP 60 Ca 0.07 -0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.12 2qi5 s ASP 60 Cb -0.12 -1.45 0.02 0.00 1.01 0.00 0.00 42.92 42.38 2qi5 s ASP 60 CO 0.02 0.02 0.74 0.00 0.21 0.00 0.00 175.17 176.15 2qi5 n GLN 61 N -0.74 -4.85 -3.44 8.23 1.13 -1.07 -4.91 117.38 111.74 2qi5 n GLN 61 Ca -0.08 0.58 -0.39 0.00 -1.94 0.00 0.00 57.00 55.18 2qi5 n GLN 61 Cb 0.56 -5.17 -0.10 0.00 0.11 0.00 0.00 30.24 25.64 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 -3.61 5.21 0.21 5.09 -1.09 0.15 -4.74 121.20 122.42 2qi5 s ILE 62 Ca 0.18 0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.76 2qi5 s ILE 62 Cb -0.09 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 37.04 2qi5 s ILE 62 CO 0.83 0.18 1.38 -2.84 -1.23 0.00 0.00 174.94 173.25 2qi5 s PRO 63 N 1.99 4.33 -0.01 2.79 0.02 -1.26 -2.18 135.00 140.68 2qi5 s PRO 63 Ca 0.13 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.32 2qi5 s PRO 63 Cb -0.16 -3.16 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 2qi5 s PRO 63 CO 0.10 -0.34 -0.03 0.42 -0.33 0.00 0.00 177.00 176.82 2qi5 s ILE 64 N 0.16 0.26 -0.14 2.83 1.01 -0.45 -4.42 121.20 120.45 2qi5 s ILE 64 Ca 0.59 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 2qi5 s ILE 64 Cb -0.39 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 2qi5 s ILE 64 CO 0.39 0.08 0.02 -1.61 0.00 0.00 0.00 174.94 173.83 2qi5 s GLU 65 N 0.01 3.51 -0.25 2.79 2.02 0.10 -0.60 118.70 126.29 2qi5 s GLU 65 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.62 2qi5 s GLU 65 Cb -0.02 -2.99 0.06 0.00 0.10 0.00 0.00 34.13 31.28 2qi5 s GLU 65 CO -0.00 0.46 -0.07 0.42 0.02 0.00 0.00 175.26 176.08 2qi5 s ILE 66 N -0.18 1.79 -1.47 -1.63 1.01 0.17 -0.27 121.20 120.61 2qi5 s ILE 66 Ca 0.06 -1.40 -0.09 0.00 0.00 0.00 0.00 60.65 59.22 2qi5 s ILE 66 Cb -0.12 -2.00 0.06 0.00 0.01 0.00 0.00 42.46 40.41 2qi5 s ILE 66 CO 0.02 -0.08 0.82 0.00 0.00 0.00 0.00 174.94 175.70 2qi5 n GLY 68 N -1.67 0.57 3.42 0.00 0.00 -1.26 -5.01 105.19 101.24 2qi5 n GLY 68 Ca -0.09 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.84 3.03 0.26 1.61 4.02 -0.14 -5.09 115.29 117.13 2qi5 s HIS 69 Ca 0.00 -0.54 -0.30 0.00 1.02 0.00 0.00 55.06 55.24 2qi5 s HIS 69 Cb 0.00 -2.11 -0.09 0.00 -1.02 0.00 0.00 32.58 29.36 2qi5 s HIS 69 CO 0.00 -0.31 1.00 0.15 1.02 0.00 0.00 174.74 176.60 2qi5 s LYS 70 N 1.17 4.77 0.15 1.40 1.02 -1.26 -0.65 119.74 126.33 2qi5 s LYS 70 Ca 0.03 1.61 -0.05 0.00 0.02 0.00 0.00 55.97 57.58 2qi5 s LYS 70 Cb -0.14 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.91 2qi5 s LYS 70 CO 0.01 0.39 0.19 0.00 -0.92 0.00 0.00 175.35 175.02 2qi5 s ALA 71 N -1.18 0.40 -0.21 5.17 0.00 0.24 -4.76 121.76 121.41 2qi5 s ALA 71 Ca 0.43 -1.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 2qi5 s ALA 71 Cb -0.28 0.88 0.06 0.00 0.00 0.00 0.00 23.12 23.78 2qi5 s ALA 71 CO 0.35 -0.58 0.51 -1.50 0.00 0.00 0.00 175.76 174.54 2qi5 s ILE 72 N -4.01 -0.01 -0.92 0.00 2.07 -1.26 -1.34 121.20 115.72 2qi5 s ILE 72 Ca 0.21 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 2qi5 s ILE 72 Cb 0.05 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.90 2qi5 s ILE 72 CO 0.01 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2qi5 n GLY 73 N 4.05 -0.62 3.73 1.50 0.00 -0.93 -4.87 105.19 108.04 2qi5 n GLY 73 Ca -0.21 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.00 4.67 -0.08 2.61 2.01 -1.26 -0.67 115.64 119.92 2qi5 s THR 74 Ca 0.00 1.95 0.03 0.00 0.31 0.00 0.00 61.69 63.98 2qi5 s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2qi5 s THR 74 CO 0.00 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.35 2qi5 s VAL 75 N 0.30 1.49 -0.17 3.82 1.01 -0.46 -4.45 120.40 121.94 2qi5 s VAL 75 Ca 0.46 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 2qi5 s VAL 75 Cb -0.22 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2qi5 s VAL 75 CO 0.27 0.43 0.18 -0.76 0.00 0.00 0.00 175.10 175.23 2qi5 s LEU 76 N 0.51 4.26 -0.11 3.92 1.43 0.39 -1.02 118.68 128.06 2qi5 s LEU 76 Ca -0.16 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.34 2qi5 s LEU 76 Cb -0.16 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2qi5 s LEU 76 CO 0.06 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 175.94 2qi5 s VAL 77 N 0.08 2.32 -0.04 -1.59 1.01 0.29 0.22 120.40 122.70 2qi5 s VAL 77 Ca 0.12 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.04 2qi5 s VAL 77 Cb -0.12 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2qi5 s VAL 77 CO 0.01 0.55 0.62 0.61 0.00 0.00 0.00 175.10 176.89 2qi5 n GLY 78 N 3.56 0.30 2.32 4.51 0.00 -0.77 -0.27 105.19 114.84 2qi5 n GLY 78 Ca -0.19 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.45 2.88 -3.07 1.61 -0.04 -1.26 -2.62 135.00 132.05 2qi5 n PRO 79 Ca 0.03 -1.72 -0.36 0.00 -0.04 0.00 0.00 63.50 61.41 2qi5 n PRO 79 Cb 0.27 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 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 2.25 4.55 -0.41 0.52 -1.32 -1.26 -4.98 115.64 114.98 2qi5 s THR 80 Ca 0.60 1.29 0.26 0.00 -1.21 0.00 0.00 61.69 62.63 2qi5 s THR 80 Cb 0.18 -3.83 0.29 0.00 -1.51 0.00 0.00 72.50 67.64 2qi5 s THR 80 CO -0.04 0.13 1.78 1.55 -2.21 0.00 0.00 174.62 175.82 2qi5 h PRO 81 N 3.18 0.00 -3.64 7.08 0.13 -1.98 -3.42 132.00 133.34 2qi5 h PRO 81 Ca -0.48 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2qi5 h PRO 81 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 2qi5 h PRO 81 CO 0.65 0.00 -0.62 0.08 -0.23 0.00 0.00 178.00 177.88 2qi5 s VAL 82 N -3.34 0.04 0.06 1.56 1.01 -1.26 -5.06 120.40 113.42 2qi5 s VAL 82 Ca 0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2qi5 s VAL 82 Cb 0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 36.38 36.20 2qi5 s VAL 82 CO 0.49 -0.20 1.22 0.20 0.00 0.00 0.00 175.10 176.81 2qi5 s ASN 83 N -0.62 7.05 -0.16 3.32 0.01 -1.26 -4.51 114.94 118.76 2qi5 s ASN 83 Ca -0.07 2.05 0.01 0.00 -0.71 0.00 0.00 52.86 54.13 2qi5 s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2qi5 s ASN 83 CO 0.00 -0.50 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.29 2qi5 s ILE 84 N 1.12 1.79 -0.33 0.60 1.01 0.86 -0.84 121.20 125.41 2qi5 s ILE 84 Ca 0.59 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 2qi5 s ILE 84 Cb -0.30 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2qi5 s ILE 84 CO 0.29 0.50 0.34 -0.63 0.00 0.00 0.00 174.94 175.44 2qi5 s ILE 85 N 1.34 5.19 0.54 2.92 -1.09 0.30 -1.19 121.20 129.21 2qi5 s ILE 85 Ca 0.04 0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.63 2qi5 s ILE 85 Cb -0.13 -3.78 0.09 0.00 -1.58 0.00 0.00 42.46 37.06 2qi5 s ILE 85 CO -0.11 -0.04 0.75 0.61 -1.23 0.00 0.00 174.94 174.93 2qi5 n GLY 86 N 4.94 1.83 0.27 6.18 0.00 -1.22 -1.18 105.19 116.01 2qi5 n GLY 86 Ca -0.10 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 43.77 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 0.26 -0.81 1.61 3.08 -0.46 -1.50 114.38 116.57 2qi5 h ARG 87 Ca -0.25 -0.03 0.20 0.00 0.07 0.00 0.00 59.98 59.96 2qi5 h ARG 87 Cb 1.14 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.09 2qi5 h ARG 87 CO 0.35 0.26 0.55 -2.95 -1.07 0.00 0.00 179.97 177.11 2qi5 h ASN 88 N 0.26 0.23 0.01 7.04 -1.07 -1.76 -1.72 115.58 118.57 2qi5 h ASN 88 Ca 0.06 0.02 -0.38 0.00 0.07 0.00 0.00 56.30 56.08 2qi5 h ASN 88 Cb 0.13 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 36.28 2qi5 h ASN 88 CO -0.00 0.10 -2.41 0.18 0.07 0.00 0.00 177.43 175.37 2qi5 n LEU 89 N -4.42 1.59 -0.36 6.14 4.77 -0.79 -4.35 117.00 119.59 2qi5 n LEU 89 Ca 0.16 -0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 2qi5 n LEU 89 Cb 0.71 -0.26 0.23 0.00 -2.33 0.00 0.00 43.42 41.78 2qi5 n LEU 89 CO 0.34 0.73 1.24 -0.07 -1.33 0.00 0.00 177.39 178.30 2qi5 h LEU 90 N 0.00 0.94 -1.02 2.23 3.38 -0.85 -0.90 115.31 119.09 2qi5 h LEU 90 Ca -0.56 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 2qi5 h LEU 90 Cb 2.06 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2qi5 h LEU 90 CO -0.03 0.53 0.24 0.71 0.09 0.00 0.00 178.44 179.99 2qi5 h THR 91 N 1.03 1.23 0.00 0.22 1.35 -1.55 -1.94 112.91 113.26 2qi5 h THR 91 Ca 0.47 -0.73 -0.05 0.00 -0.55 0.00 0.00 66.41 65.55 2qi5 h THR 91 Cb 0.40 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 2qi5 h THR 91 CO -0.23 0.29 -0.25 1.56 -0.25 0.00 0.00 175.52 176.64 2qi5 h GLN 92 N 0.93 0.00 -0.56 4.72 4.20 -1.36 -2.22 115.11 120.81 2qi5 h GLN 92 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2qi5 h GLN 92 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qi5 h GLN 92 CO -0.02 0.25 0.00 0.44 -0.67 0.00 0.00 178.83 178.83 2qi5 n ILE 93 N -3.90 0.75 -2.02 2.54 -5.35 -1.00 -4.94 119.36 105.44 2qi5 n ILE 93 Ca -0.02 -0.78 -0.08 0.00 -0.27 0.00 0.00 62.75 61.60 2qi5 n ILE 93 Cb 0.33 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.69 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 1.45 0.18 3.71 3.28 0.00 -0.83 -5.00 105.19 107.98 2qi5 n GLY 94 Ca 0.20 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 0.79 1.82 -0.09 0.00 -4.23 -1.26 -4.69 115.64 107.98 2qi5 s THR 96 Ca 0.49 -2.23 -0.07 0.00 -1.18 0.00 0.00 61.69 58.70 2qi5 s THR 96 Cb -0.21 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2qi5 s THR 96 CO 0.27 -0.53 0.17 -0.76 -0.54 0.00 0.00 174.62 173.23 2qi5 s LEU 97 N -3.36 4.39 -0.05 4.79 1.43 -1.26 -5.10 118.68 119.53 2qi5 s LEU 97 Ca 0.24 0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2qi5 s LEU 97 Cb -0.01 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 44.04 2qi5 s LEU 97 CO 0.08 0.38 0.10 0.20 0.23 0.00 0.00 176.35 177.34 2qi5 s ASN 98 N -1.17 0.25 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.88 2qi5 s ASN 98 Ca 0.18 0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.65 2qi5 s ASN 98 Cb -0.13 0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 2qi5 s ASN 98 CO 0.07 -0.17 0.00 2.22 -2.57 0.00 0.00 177.10 176.65