#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qhz s GLN 2 N 0.00 3.02 -0.22 -0.52 0.74 -1.26 -5.10 119.66 116.31 2qhz s GLN 2 Ca 0.00 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.72 2qhz s GLN 2 Cb 0.00 -2.50 0.04 0.00 1.10 0.00 0.00 33.01 31.64 2qhz s GLN 2 CO 0.00 0.37 -0.15 0.42 -0.55 0.00 0.00 175.29 175.38 2qhz s ILE 3 N -0.06 2.14 0.74 -2.34 1.01 -1.26 -5.11 121.20 116.32 2qhz s ILE 3 Ca -0.03 -1.28 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 2qhz s ILE 3 Cb -0.14 -2.08 0.04 0.00 0.01 0.00 0.00 42.46 40.29 2qhz s ILE 3 CO 0.04 0.25 1.12 0.42 0.00 0.00 0.00 174.94 176.77 2qhz s THR 4 N 1.20 2.87 -0.20 2.92 -4.23 -1.26 -5.00 115.64 111.93 2qhz s THR 4 Ca -0.02 0.25 0.15 0.00 -1.18 0.00 0.00 61.69 60.88 2qhz s THR 4 Cb -0.17 -3.27 0.47 0.00 1.34 0.00 0.00 72.50 70.88 2qhz s THR 4 CO -0.09 -0.35 1.37 0.18 -0.54 0.00 0.00 174.62 175.19 2qhz n LEU 5 N -3.11 3.60 -0.17 4.79 4.77 -1.26 -4.53 117.00 121.10 2qhz n LEU 5 Ca 0.07 -3.27 0.08 0.00 -0.03 0.00 0.00 56.01 52.86 2qhz n LEU 5 Cb 0.59 -0.55 0.38 0.00 -2.33 0.00 0.00 43.42 41.51 2qhz n LEU 5 CO 0.57 0.86 1.21 -0.50 -1.33 0.00 0.00 177.39 178.20 2qhz h TRP 6 N 1.19 0.71 -2.33 -1.77 4.06 -2.06 -3.43 115.95 112.32 2qhz h TRP 6 Ca 0.06 0.02 -0.54 0.00 2.06 0.00 0.00 58.89 60.49 2qhz h TRP 6 Cb 1.40 -0.23 -0.13 0.00 -1.00 0.00 0.00 29.16 29.19 2qhz h TRP 6 CO 0.55 0.36 -0.59 -1.59 -3.56 0.00 0.00 178.44 173.62 2qhz s LYS 7 N -5.63 1.81 0.29 0.49 -2.85 -1.26 -5.11 119.74 107.48 2qhz s LYS 7 Ca -0.09 -2.04 -0.30 0.00 -1.00 0.00 0.00 55.97 52.54 2qhz s LYS 7 Cb 0.20 -1.07 -0.12 0.00 -2.06 0.00 0.00 37.83 34.78 2qhz s LYS 7 CO 0.77 -0.21 1.59 0.54 0.10 0.00 0.00 175.35 178.14 2qhz n ARG 8 N -0.83 2.67 -1.50 1.78 1.74 -1.26 -4.84 116.66 114.42 2qhz n ARG 8 Ca -0.05 0.95 -0.40 0.00 -0.77 0.00 0.00 57.85 57.58 2qhz n ARG 8 Cb 0.67 -2.73 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 2qhz n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qhz n PRO 9 N 2.24 2.74 -2.97 5.56 -0.04 -1.26 -4.92 135.00 136.35 2qhz n PRO 9 Ca 0.09 -2.33 -0.40 0.00 -0.04 0.00 0.00 63.50 60.82 2qhz n PRO 9 Cb 0.36 -3.09 -0.04 0.00 -0.04 0.00 0.00 33.50 30.69 2qhz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qhz s LEU 10 N 1.52 4.33 0.19 1.53 1.43 -1.26 -1.11 118.68 125.32 2qhz s LEU 10 Ca 0.53 1.30 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2qhz s LEU 10 Cb 0.15 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.13 2qhz s LEU 10 CO -0.05 -0.14 -0.03 0.68 0.23 0.00 0.00 176.35 177.05 2qhz s VAL 11 N 0.80 0.97 -0.07 -1.59 -7.23 0.07 -4.90 120.40 108.45 2qhz s VAL 11 Ca 0.41 -2.03 -0.26 0.00 -1.81 0.00 0.00 61.98 58.29 2qhz s VAL 11 Cb -0.19 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 2qhz s VAL 11 CO 0.20 -0.48 0.84 -0.89 -0.31 0.00 0.00 175.10 174.47 2qhz s THR 12 N -3.46 4.93 0.25 5.32 2.01 -1.26 -0.49 115.64 122.94 2qhz s THR 12 Ca 0.24 1.73 0.12 0.00 0.31 0.00 0.00 61.69 64.09 2qhz s THR 12 Cb 0.05 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 2qhz s THR 12 CO 0.05 0.15 -0.21 0.27 -0.69 0.00 0.00 174.62 174.20 2qhz s ILE 13 N 1.28 2.48 -0.06 1.82 -4.36 0.76 -2.29 121.20 120.84 2qhz s ILE 13 Ca 0.43 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.59 2qhz s ILE 13 Cb -0.19 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.27 2qhz s ILE 13 CO 0.20 -0.30 -0.12 -0.60 0.24 0.00 0.00 174.94 174.36 2qhz s ARG 14 N -3.22 1.58 -0.24 0.37 3.52 0.48 -1.43 118.95 120.02 2qhz s ARG 14 Ca 0.27 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.44 2qhz s ARG 14 Cb -0.06 -1.33 0.07 0.00 -1.56 0.00 0.00 34.95 32.07 2qhz s ARG 14 CO 0.13 0.06 0.05 -1.50 -0.81 0.00 0.00 175.30 173.23 2qhz s ILE 15 N 0.55 0.74 0.00 4.11 2.07 -0.66 -1.24 121.20 126.76 2qhz s ILE 15 Ca -0.12 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.22 2qhz s ILE 15 Cb -0.14 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.13 2qhz s ILE 15 CO 0.03 -0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.32 2qhz n GLY 16 N 4.95 3.79 1.60 1.50 0.00 -1.26 -2.05 105.19 113.72 2qhz n GLY 16 Ca -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 2qhz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhz n GLY 17 N 0.00 2.92 3.16 -0.02 0.00 -1.26 -4.85 105.19 105.13 2qhz n GLY 17 Ca 0.00 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2qhz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qhz s GLN 18 N -2.27 2.78 -0.13 1.61 -1.52 -0.87 -5.11 119.66 114.15 2qhz s GLN 18 Ca 0.39 -0.78 -0.04 0.00 -1.95 0.00 0.00 55.36 52.98 2qhz s GLN 18 Cb 0.31 -2.21 -0.03 0.00 -0.22 0.00 0.00 33.01 30.86 2qhz s GLN 18 CO 0.10 0.05 0.01 -0.51 -0.25 0.00 0.00 175.29 174.69 2qhz s LEU 19 N 0.65 3.55 0.08 2.90 1.02 -1.26 -1.66 118.68 123.97 2qhz s LEU 19 Ca -0.12 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.09 2qhz s LEU 19 Cb -0.16 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 2qhz s LEU 19 CO 0.03 0.26 -0.06 -0.54 0.02 0.00 0.00 176.35 176.05 2qhz s LYS 20 N -0.15 0.76 -0.14 1.70 1.02 -0.51 -4.98 119.74 117.43 2qhz s LYS 20 Ca 0.05 -1.25 -0.14 0.00 0.02 0.00 0.00 55.97 54.65 2qhz s LYS 20 Cb -0.13 -0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.00 2qhz s LYS 20 CO 0.02 -0.03 0.30 -1.21 -0.92 0.00 0.00 175.35 173.51 2qhz s GLU 21 N -3.59 4.17 0.02 1.68 0.41 -1.26 -0.17 118.70 119.96 2qhz s GLU 21 Ca 0.09 0.12 0.01 0.00 -0.41 0.00 0.00 54.97 54.78 2qhz s GLU 21 Cb 0.04 -3.39 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 2qhz s GLU 21 CO -0.05 0.32 -0.04 0.00 -0.49 0.00 0.00 175.26 174.99 2qhz s ALA 22 N 0.22 0.29 0.01 5.21 0.00 0.35 -4.37 121.76 123.47 2qhz s ALA 22 Ca 0.17 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 2qhz s ALA 22 Cb -0.13 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2qhz s ALA 22 CO 0.05 -0.07 0.97 -0.51 0.00 0.00 0.00 175.76 176.20 2qhz s LEU 23 N -1.18 4.38 -0.57 0.00 1.43 0.25 -0.75 118.68 122.24 2qhz s LEU 23 Ca -0.10 1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 54.37 2qhz s LEU 23 Cb -0.08 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2qhz s LEU 23 CO -0.00 -0.24 1.22 -0.76 0.23 0.00 0.00 176.35 176.81 2qhz s LEU 24 N 0.90 3.45 -0.38 1.79 1.43 -0.27 -0.10 118.68 125.51 2qhz s LEU 24 Ca 0.51 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2qhz s LEU 24 Cb -0.21 -3.18 0.11 0.00 0.03 0.00 0.00 46.19 42.94 2qhz s LEU 24 CO 0.28 -1.50 0.12 -0.62 0.23 0.00 0.00 176.35 174.86 2qhz s ASP 25 N 3.14 4.44 0.45 2.29 3.68 -0.47 -4.81 116.67 125.38 2qhz s ASP 25 Ca 0.45 -2.30 0.31 0.00 2.13 0.00 0.00 52.55 53.14 2qhz s ASP 25 Cb -0.08 -1.44 1.37 0.00 -1.45 0.00 0.00 42.92 41.32 2qhz s ASP 25 CO 0.26 -0.34 1.91 0.71 0.13 0.00 0.00 175.17 177.84 2qhz h THR 26 N 6.22 0.00 -0.00 1.71 1.35 -1.94 -2.37 112.91 117.88 2qhz h THR 26 Ca -0.06 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2qhz h THR 26 Cb 0.98 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2qhz h THR 26 CO 0.54 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 176.35 2qhz n GLY 27 N -0.28 -0.79 3.42 5.82 0.00 -1.26 -4.80 105.19 107.31 2qhz n GLY 27 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2qhz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhz s ALA 28 N -2.31 3.01 0.25 4.61 0.00 -0.89 -4.99 121.76 121.44 2qhz s ALA 28 Ca 0.34 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 2qhz s ALA 28 Cb 0.21 -1.82 0.30 0.00 0.00 0.00 0.00 23.12 21.81 2qhz s ALA 28 CO 0.43 -0.28 1.74 -0.44 0.00 0.00 0.00 175.76 177.22 2qhz h ASP 29 N 7.77 0.79 -3.51 0.00 3.32 -1.87 0.16 116.42 123.08 2qhz h ASP 29 Ca -0.37 -0.20 -0.42 0.00 0.02 0.00 0.00 57.03 56.05 2qhz h ASP 29 Cb 1.17 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.36 2qhz h ASP 29 CO 0.60 0.86 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.44 2qhz s ASP 30 N -6.64 2.33 -0.10 6.45 1.01 -1.26 -2.38 116.67 116.08 2qhz s ASP 30 Ca -0.10 -0.98 -0.18 0.00 0.71 0.00 0.00 52.55 52.00 2qhz s ASP 30 Cb 0.14 -0.10 -0.04 0.00 1.01 0.00 0.00 42.92 43.93 2qhz s ASP 30 CO 0.82 -0.19 0.50 -0.89 0.21 0.00 0.00 175.17 175.61 2qhz s THR 31 N -2.88 5.14 -0.11 -1.27 2.01 -1.26 -3.72 115.64 113.55 2qhz s THR 31 Ca 0.19 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.20 2qhz s THR 31 Cb -0.01 -3.83 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2qhz s THR 31 CO 0.05 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.54 2qhz s VAL 32 N 0.44 1.13 0.16 3.82 1.01 -0.23 -0.44 120.40 126.28 2qhz s VAL 32 Ca 0.27 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 61.98 2qhz s VAL 32 Cb -0.16 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2qhz s VAL 32 CO 0.12 0.38 -0.21 -0.76 0.00 0.00 0.00 175.10 174.62 2qhz s LEU 33 N 1.47 2.54 0.83 3.92 1.43 0.12 -0.44 118.68 128.55 2qhz s LEU 33 Ca 0.01 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 2qhz s LEU 33 Cb -0.13 -1.33 0.06 0.00 0.03 0.00 0.00 46.19 44.82 2qhz s LEU 33 CO -0.06 0.14 0.93 -1.84 0.23 0.00 0.00 176.35 175.75 2qhz n GLU 34 N 0.50 0.05 -1.64 1.70 0.28 -1.26 -1.98 120.64 118.28 2qhz n GLU 34 Ca -0.14 0.08 -0.55 0.00 -0.16 0.00 0.00 57.16 56.40 2qhz n GLU 34 Cb 0.54 -2.22 -0.07 0.00 1.43 0.00 0.00 31.44 31.13 2qhz n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2qhz n GLU 35 N -2.64 1.14 -3.66 3.44 4.07 -1.00 -4.51 120.64 117.48 2qhz n GLU 35 Ca 0.12 0.41 -0.14 0.00 -0.06 0.00 0.00 57.16 57.49 2qhz n GLU 35 Cb 0.51 -2.07 -0.08 0.00 -0.06 0.00 0.00 31.44 29.74 2qhz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qhz s MET 36 N 1.85 0.74 -1.23 5.31 0.23 -1.26 -5.00 119.30 119.94 2qhz s MET 36 Ca 0.91 0.77 -0.11 0.00 -1.03 0.00 0.00 55.69 56.23 2qhz s MET 36 Cb -1.01 0.36 0.18 0.00 -1.53 0.00 0.00 34.83 32.83 2qhz s MET 36 CO 0.55 -0.11 1.60 -1.71 -2.03 0.00 0.00 175.02 173.33 2qhz n ASN 37 N 2.55 5.25 -4.79 -1.18 4.05 -1.26 -5.00 115.26 114.88 2qhz n ASN 37 Ca -0.14 -3.06 -0.34 0.00 0.45 0.00 0.00 54.58 51.49 2qhz n ASN 37 Cb 0.56 -1.51 -0.02 0.00 1.23 0.00 0.00 39.78 40.04 2qhz n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qhz s LEU 38 N 0.50 3.81 0.65 1.20 1.43 -1.26 -5.03 118.68 119.97 2qhz s LEU 38 Ca 0.40 2.00 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 2qhz s LEU 38 Cb 0.02 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 2qhz s LEU 38 CO 0.00 -0.92 1.07 -2.16 0.23 0.00 0.00 176.35 174.57 2qhz s PRO 39 N -3.27 3.01 0.03 1.29 0.04 -1.26 -4.97 135.00 129.88 2qhz s PRO 39 Ca 0.69 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2qhz s PRO 39 Cb -0.19 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2qhz s PRO 39 CO 0.22 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2qhz n GLY 40 N -1.15 -3.32 3.79 0.56 0.00 -1.26 -4.99 105.19 98.81 2qhz n GLY 40 Ca 0.09 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 2qhz n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhz s LYS 41 N -0.64 3.23 0.19 1.61 0.00 -1.26 -5.06 119.74 117.82 2qhz s LYS 41 Ca 0.00 1.34 -0.16 0.00 0.00 0.00 0.00 55.97 57.16 2qhz s LYS 41 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 37.83 35.84 2qhz s LYS 41 CO 0.00 -0.90 0.48 1.67 0.00 0.00 0.00 175.35 176.60 2qhz s TRP 42 N -2.25 -0.00 0.03 1.78 1.48 -1.26 -4.56 118.94 114.16 2qhz s TRP 42 Ca 0.66 -0.35 0.02 0.00 -1.06 0.00 0.00 56.10 55.38 2qhz s TRP 42 Cb -0.19 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.41 2qhz s TRP 42 CO 0.35 -0.89 -0.08 -1.59 -4.06 0.00 0.00 176.95 170.68 2qhz s LYS 43 N -3.90 0.54 0.45 3.25 -2.85 -0.77 -4.93 119.74 111.53 2qhz s LYS 43 Ca 0.11 -0.58 -0.22 0.00 -1.00 0.00 0.00 55.97 54.28 2qhz s LYS 43 Cb -0.00 -0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 35.29 2qhz s LYS 43 CO -0.02 0.09 1.05 -1.25 0.10 0.00 0.00 175.35 175.32 2qhz s PRO 44 N -1.09 3.96 0.05 1.78 0.04 -1.26 -0.53 135.00 137.94 2qhz s PRO 44 Ca -0.05 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.29 2qhz s PRO 44 Cb -0.07 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.18 2qhz s PRO 44 CO 0.00 -0.31 0.34 0.21 0.04 0.00 0.00 177.00 177.28 2qhz s LYS 45 N -2.88 0.87 -0.11 4.56 2.20 -0.62 -4.88 119.74 118.87 2qhz s LYS 45 Ca 0.63 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.77 2qhz s LYS 45 Cb -0.19 0.38 0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2qhz s LYS 45 CO 0.24 -0.29 -0.21 -1.64 -0.36 0.00 0.00 175.35 173.09 2qhz s MET 46 N -2.70 2.85 0.04 4.03 -1.94 -1.26 -0.69 119.30 119.63 2qhz s MET 46 Ca -0.04 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.23 2qhz s MET 46 Cb -0.00 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 2qhz s MET 46 CO -0.04 0.06 -0.25 0.96 -0.01 0.00 0.00 175.02 175.74 2qhz s ILE 47 N 0.63 2.02 0.06 2.53 -4.36 -0.62 -4.96 121.20 116.50 2qhz s ILE 47 Ca -0.12 -1.33 0.09 0.00 -0.26 0.00 0.00 60.65 59.02 2qhz s ILE 47 Cb -0.16 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 2qhz s ILE 47 CO 0.03 0.33 -0.24 -0.83 0.24 0.00 0.00 174.94 174.47 2qhz s GLY 48 N -1.20 1.33 0.00 6.27 0.00 -1.26 -1.22 107.32 111.23 2qhz s GLY 48 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2qhz s GLY 48 CO 0.02 -1.15 0.00 0.61 0.00 0.00 0.00 173.10 172.58 2qhz n GLY 49 N 1.63 3.65 3.72 0.20 0.00 -0.40 -4.99 105.19 109.01 2qhz n GLY 49 Ca -0.17 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2qhz n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qhz s ILE 50 N -1.15 2.40 0.00 -0.61 1.01 -1.26 -1.55 121.20 120.04 2qhz s ILE 50 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2qhz s ILE 50 Cb 0.00 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2qhz s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2qhz n GLY 51 N 3.70 2.78 0.00 6.18 0.00 -1.26 -4.93 105.19 111.65 2qhz n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2qhz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qhz n GLY 52 N -2.00 0.25 3.64 -0.02 0.00 -0.59 -5.08 105.19 101.38 2qhz n GLY 52 Ca 0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 2qhz n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qhz s PHE 53 N -0.10 2.82 0.15 1.61 0.40 -1.26 -1.27 117.98 120.33 2qhz s PHE 53 Ca 0.00 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 2qhz s PHE 53 Cb 0.00 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 2qhz s PHE 53 CO 0.00 0.49 -0.15 0.96 0.70 0.00 0.00 175.22 177.22 2qhz s ILE 54 N -1.54 1.54 -0.06 0.64 -4.36 -0.36 -4.97 121.20 112.10 2qhz s ILE 54 Ca 0.25 -1.90 -0.19 0.00 -0.26 0.00 0.00 60.65 58.56 2qhz s ILE 54 Cb -0.10 -1.75 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 2qhz s ILE 54 CO 0.17 -0.45 0.52 -0.75 0.24 0.00 0.00 174.94 174.67 2qhz s LYS 55 N -2.98 4.28 0.28 0.37 2.47 -1.26 -1.59 119.74 121.30 2qhz s LYS 55 Ca 0.14 0.56 0.04 0.00 -1.56 0.00 0.00 55.97 55.15 2qhz s LYS 55 Cb -0.04 -3.37 -0.06 0.00 -1.46 0.00 0.00 37.83 32.90 2qhz s LYS 55 CO 0.05 0.30 0.01 0.14 0.16 0.00 0.00 175.35 176.01 2qhz s VAL 56 N 0.11 1.24 -0.18 4.02 -7.23 0.13 -4.32 120.40 114.17 2qhz s VAL 56 Ca 0.28 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.39 2qhz s VAL 56 Cb -0.16 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 2qhz s VAL 56 CO 0.13 -0.19 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.50 2qhz s ARG 57 N -3.84 3.32 -0.33 4.82 0.52 0.98 -1.58 118.95 122.84 2qhz s ARG 57 Ca 0.32 -0.68 -0.20 0.00 -0.52 0.00 0.00 55.73 54.64 2qhz s ARG 57 Cb 0.06 -2.78 -0.00 0.00 0.52 0.00 0.00 34.95 32.75 2qhz s ARG 57 CO 0.12 -0.02 0.63 -1.14 0.02 0.00 0.00 175.30 174.91 2qhz s GLN 58 N 0.96 3.81 -0.13 3.54 0.74 0.31 -0.36 119.66 128.52 2qhz s GLN 58 Ca -0.02 0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.56 2qhz s GLN 58 Cb -0.15 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2qhz s GLN 58 CO -0.01 -0.64 -0.03 0.71 -0.55 0.00 0.00 175.29 174.77 2qhz s TYR 59 N 2.64 3.04 0.19 1.67 1.51 -0.15 -1.85 117.35 124.40 2qhz s TYR 59 Ca 0.25 -0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 2qhz s TYR 59 Cb -0.15 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2qhz s TYR 59 CO 0.13 0.11 0.22 -0.51 -1.11 0.00 0.00 175.55 174.39 2qhz s ASP 60 N -0.03 5.87 -1.40 2.29 1.01 -1.26 -0.83 116.67 122.32 2qhz s ASP 60 Ca 0.01 -0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.19 2qhz s ASP 60 Cb -0.13 -1.63 0.03 0.00 1.01 0.00 0.00 42.92 42.20 2qhz s ASP 60 CO 0.03 0.03 0.77 0.00 0.21 0.00 0.00 175.17 176.20 2qhz n GLN 61 N -0.70 -4.92 -3.35 8.23 1.13 -1.09 -4.90 117.38 111.78 2qhz n GLN 61 Ca -0.08 0.58 -0.39 0.00 -1.94 0.00 0.00 57.00 55.17 2qhz n GLN 61 Cb 0.55 -5.21 -0.09 0.00 0.11 0.00 0.00 30.24 25.61 2qhz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qhz s ILE 62 N -3.57 5.15 0.18 5.09 -1.09 -0.29 -4.75 121.20 121.93 2qhz s ILE 62 Ca 0.24 0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 58.95 2qhz s ILE 62 Cb -0.12 -3.74 -0.08 0.00 -1.58 0.00 0.00 42.46 36.94 2qhz s ILE 62 CO 0.83 0.12 1.29 -2.16 -1.23 0.00 0.00 174.94 173.79 2qhz s PRO 63 N 2.13 4.40 -0.01 2.79 0.04 -1.26 -2.08 135.00 141.01 2qhz s PRO 63 Ca 0.16 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2qhz s PRO 63 Cb -0.16 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2qhz s PRO 63 CO 0.10 -0.24 -0.00 0.42 0.04 0.00 0.00 177.00 177.32 2qhz s ILE 64 N 0.21 0.06 -0.21 0.56 1.01 -0.23 -4.60 121.20 118.01 2qhz s ILE 64 Ca 0.57 0.02 -0.06 0.00 0.00 0.00 0.00 60.65 61.18 2qhz s ILE 64 Cb -0.35 -0.09 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 2qhz s ILE 64 CO 0.37 0.04 0.03 -1.61 0.00 0.00 0.00 174.94 173.77 2qhz s GLU 65 N 0.27 3.69 -0.24 2.79 8.01 -0.38 -0.67 118.70 132.18 2qhz s GLU 65 Ca -0.02 -0.48 0.02 0.00 0.01 0.00 0.00 54.97 54.50 2qhz s GLU 65 Cb -0.04 -3.15 0.05 0.00 -4.31 0.00 0.00 34.13 26.68 2qhz s GLU 65 CO -0.01 0.02 -0.09 0.42 0.01 0.00 0.00 175.26 175.61 2qhz s ILE 66 N 1.00 1.86 -1.37 -1.63 1.01 -0.01 -0.38 121.20 121.66 2qhz s ILE 66 Ca 0.02 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.27 2qhz s ILE 66 Cb -0.14 -2.00 0.03 0.00 0.01 0.00 0.00 42.46 40.36 2qhz s ILE 66 CO 0.02 0.01 0.41 0.00 0.00 0.00 0.00 174.94 175.39 2qhz n GLY 68 N -1.22 0.71 3.82 0.00 0.00 -1.26 -5.03 105.19 102.21 2qhz n GLY 68 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2qhz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qhz s HIS 69 N -2.84 3.49 -0.01 1.61 4.02 -0.16 -5.09 115.29 116.32 2qhz s HIS 69 Ca 0.00 0.43 -0.25 0.00 1.02 0.00 0.00 55.06 56.26 2qhz s HIS 69 Cb 0.00 -1.94 -0.04 0.00 -1.02 0.00 0.00 32.58 29.58 2qhz s HIS 69 CO 0.00 0.63 0.78 0.15 1.02 0.00 0.00 174.74 177.32 2qhz s LYS 70 N -0.82 4.49 0.17 1.40 1.02 -1.26 -0.83 119.74 123.90 2qhz s LYS 70 Ca 0.14 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.21 2qhz s LYS 70 Cb -0.12 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 2qhz s LYS 70 CO 0.03 0.13 -0.03 0.00 -0.92 0.00 0.00 175.35 174.56 2qhz s ALA 71 N 0.48 1.41 -0.24 5.17 0.00 0.16 -4.71 121.76 124.03 2qhz s ALA 71 Ca 0.41 -1.57 -0.11 0.00 0.00 0.00 0.00 51.96 50.68 2qhz s ALA 71 Cb -0.19 0.38 0.09 0.00 0.00 0.00 0.00 23.12 23.39 2qhz s ALA 71 CO 0.22 -0.25 0.55 -1.50 0.00 0.00 0.00 175.76 174.78 2qhz s ILE 72 N -3.54 -0.33 -0.29 0.00 2.07 -1.26 -1.06 121.20 116.80 2qhz s ILE 72 Ca 0.22 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2qhz s ILE 72 Cb 0.05 -0.83 0.00 0.00 0.13 0.00 0.00 42.46 41.82 2qhz s ILE 72 CO 0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 2qhz n GLY 73 N 4.73 -0.62 3.73 1.50 0.00 -0.88 -4.86 105.19 108.78 2qhz n GLY 73 Ca -0.17 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 2qhz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qhz s THR 74 N -3.00 4.30 -0.04 2.61 2.01 -1.26 -1.13 115.64 119.13 2qhz s THR 74 Ca 0.00 1.87 0.04 0.00 0.31 0.00 0.00 61.69 63.91 2qhz s THR 74 Cb 0.00 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 2qhz s THR 74 CO 0.00 0.26 -0.17 0.68 -0.69 0.00 0.00 174.62 174.70 2qhz s VAL 75 N 0.16 1.44 -0.22 3.82 -7.23 -0.01 -4.44 120.40 113.93 2qhz s VAL 75 Ca 0.50 -0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 59.84 2qhz s VAL 75 Cb -0.26 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.40 2qhz s VAL 75 CO 0.31 0.41 0.14 -0.76 -0.31 0.00 0.00 175.10 174.89 2qhz s LEU 76 N -0.02 4.07 -0.14 1.32 1.43 0.41 -0.97 118.68 124.78 2qhz s LEU 76 Ca -0.03 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2qhz s LEU 76 Cb -0.11 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 2qhz s LEU 76 CO 0.02 0.10 -0.17 -0.69 0.23 0.00 0.00 176.35 175.85 2qhz s VAL 77 N 0.81 2.59 -0.01 -1.59 1.01 0.51 0.13 120.40 123.85 2qhz s VAL 77 Ca 0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 2qhz s VAL 77 Cb -0.13 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2qhz s VAL 77 CO 0.02 0.52 0.19 0.61 0.00 0.00 0.00 175.10 176.44 2qhz n GLY 78 N 3.91 0.36 2.27 4.51 0.00 -0.84 -0.02 105.19 115.40 2qhz n GLY 78 Ca -0.19 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 2qhz n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qhz n PRO 79 N -0.13 3.15 -2.75 1.61 -0.04 -1.26 -2.37 135.00 133.20 2qhz n PRO 79 Ca 0.01 -1.85 -0.38 0.00 -0.04 0.00 0.00 63.50 61.24 2qhz n PRO 79 Cb 0.08 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 2qhz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qhz s THR 80 N 2.04 4.13 -0.63 0.52 -1.32 -1.26 -4.97 115.64 114.15 2qhz s THR 80 Ca 0.66 1.85 0.25 0.00 -1.21 0.00 0.00 61.69 63.24 2qhz s THR 80 Cb 0.20 -4.06 0.26 0.00 -1.51 0.00 0.00 72.50 67.39 2qhz s THR 80 CO -0.04 0.22 1.75 -0.81 -2.21 0.00 0.00 174.62 173.52 2qhz n PRO 81 N 0.76 0.22 -3.83 7.08 -0.04 -1.26 -4.72 135.00 133.21 2qhz n PRO 81 Ca 0.01 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.65 2qhz n PRO 81 Cb 0.49 -1.82 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 2qhz n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qhz s VAL 82 N -3.20 0.02 0.17 0.52 0.11 -1.26 -5.11 120.40 111.65 2qhz s VAL 82 Ca 0.08 -0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 2qhz s VAL 82 Cb 0.11 -0.28 -0.08 0.00 -1.53 0.00 0.00 36.38 34.60 2qhz s VAL 82 CO 0.49 -0.09 1.18 0.20 -3.33 0.00 0.00 175.10 173.56 2qhz s ASN 83 N -0.24 7.11 -0.13 3.54 0.01 -1.26 -4.72 114.94 119.25 2qhz s ASN 83 Ca -0.03 2.19 -0.01 0.00 -0.71 0.00 0.00 52.86 54.30 2qhz s ASN 83 Cb -0.03 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.06 2qhz s ASN 83 CO 0.01 -0.36 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.56 2qhz s ILE 84 N 0.03 0.92 -0.42 0.60 1.01 0.41 -0.58 121.20 123.17 2qhz s ILE 84 Ca 0.53 -0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.62 2qhz s ILE 84 Cb -0.32 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.13 2qhz s ILE 84 CO 0.36 0.23 0.62 -0.63 0.00 0.00 0.00 174.94 175.52 2qhz s ILE 85 N 1.73 4.86 0.74 2.92 -1.09 0.86 -1.07 121.20 130.15 2qhz s ILE 85 Ca 0.03 0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.65 2qhz s ILE 85 Cb -0.14 -4.16 0.14 0.00 -1.58 0.00 0.00 42.46 36.72 2qhz s ILE 85 CO -0.08 -0.51 1.01 -0.83 -1.23 0.00 0.00 174.94 173.30 2qhz s GLY 86 N 1.94 1.75 0.53 6.18 0.00 -1.24 -1.37 107.32 115.10 2qhz s GLY 86 Ca 0.22 -1.84 0.19 0.00 0.00 0.00 0.00 44.72 43.29 2qhz s GLY 86 CO 0.18 -1.24 2.14 3.21 0.00 0.00 0.00 173.10 177.39 2qhz h ARG 87 N -0.56 0.00 -0.52 2.90 3.08 -0.63 -1.27 114.38 117.37 2qhz h ARG 87 Ca -0.35 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.81 2qhz h ARG 87 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 2qhz h ARG 87 CO 0.38 0.00 0.36 -2.95 -1.07 0.00 0.00 179.97 176.69 2qhz h ASN 88 N 0.00 0.21 0.00 7.04 -1.07 -1.73 -2.63 115.58 117.39 2qhz h ASN 88 Ca 0.03 0.01 -0.25 0.00 0.07 0.00 0.00 56.30 56.15 2qhz h ASN 88 Cb 0.13 -0.04 -0.05 0.00 -2.07 0.00 0.00 38.32 36.29 2qhz h ASN 88 CO -0.00 0.12 -2.01 0.18 0.07 0.00 0.00 177.43 175.79 2qhz n LEU 89 N -4.45 0.00 -0.36 6.14 4.77 -0.74 -4.42 117.00 117.94 2qhz n LEU 89 Ca 0.09 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 2qhz n LEU 89 Cb 0.43 0.34 0.20 0.00 -2.33 0.00 0.00 43.42 42.06 2qhz n LEU 89 CO 0.35 0.34 1.24 -0.07 -1.33 0.00 0.00 177.39 177.92 2qhz h LEU 90 N 0.00 0.95 -1.21 2.23 3.38 -1.12 -1.08 115.31 118.45 2qhz h LEU 90 Ca -0.38 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2qhz h LEU 90 Cb 1.84 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 2qhz h LEU 90 CO 0.02 0.56 0.24 0.71 0.09 0.00 0.00 178.44 180.06 2qhz h THR 91 N 1.06 1.19 -0.04 0.22 1.35 -1.70 -1.33 112.91 113.65 2qhz h THR 91 Ca 0.46 -0.58 -0.09 0.00 -0.55 0.00 0.00 66.41 65.65 2qhz h THR 91 Cb 0.32 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 2qhz h THR 91 CO -0.22 0.23 -0.38 1.56 -0.25 0.00 0.00 175.52 176.46 2qhz h GLN 92 N 0.78 0.09 -0.37 4.72 4.20 -1.41 -2.02 115.11 121.10 2qhz h GLN 92 Ca 0.19 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2qhz h GLN 92 Cb 0.12 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2qhz h GLN 92 CO -0.02 0.46 0.00 0.44 -0.67 0.00 0.00 178.83 179.04 2qhz n ILE 93 N -4.07 0.48 -1.43 2.54 -5.35 -1.10 -4.94 119.36 105.50 2qhz n ILE 93 Ca -0.02 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 2qhz n ILE 93 Cb 0.43 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 2qhz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qhz n GLY 94 N 1.32 0.60 3.71 3.28 0.00 -0.76 -5.03 105.19 108.32 2qhz n GLY 94 Ca 0.18 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 2qhz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qhz s THR 96 N 0.85 1.33 -0.05 0.00 -4.23 -1.26 -4.64 115.64 107.63 2qhz s THR 96 Ca 0.45 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 2qhz s THR 96 Cb -0.20 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 2qhz s THR 96 CO 0.24 -0.66 0.29 -0.76 -0.54 0.00 0.00 174.62 173.19 2qhz s LEU 97 N -3.23 4.44 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.74 2qhz s LEU 97 Ca 0.19 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2qhz s LEU 97 Cb 0.02 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2qhz s LEU 97 CO 0.03 0.36 0.02 0.20 0.23 0.00 0.00 176.35 177.18 2qhz s ASN 98 N -1.09 0.13 0.00 2.29 -0.87 -1.26 -5.29 114.94 108.84 2qhz s ASN 98 Ca 0.20 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.51 2qhz s ASN 98 Cb -0.15 -0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.00 2qhz s ASN 98 CO 0.10 -0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.75