#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi1 s GLN 2 N 0.00 3.46 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.84 2qi1 s GLN 2 Ca 0.00 -0.57 -0.01 0.00 0.05 0.00 0.00 55.36 54.83 2qi1 s GLN 2 Cb 0.00 -2.79 0.01 0.00 1.10 0.00 0.00 33.01 31.33 2qi1 s GLN 2 CO 0.00 0.30 -0.13 0.42 -0.55 0.00 0.00 175.29 175.33 2qi1 s ILE 3 N 0.17 2.69 0.69 -2.34 1.01 -1.26 -5.12 121.20 117.05 2qi1 s ILE 3 Ca -0.03 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2qi1 s ILE 3 Cb -0.14 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.19 2qi1 s ILE 3 CO 0.03 0.49 1.03 0.42 0.00 0.00 0.00 174.94 176.91 2qi1 s THR 4 N 1.33 2.79 -0.22 2.92 -4.23 -1.26 -5.02 115.64 111.96 2qi1 s THR 4 Ca 0.05 -0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.66 2qi1 s THR 4 Cb -0.14 -3.20 0.45 0.00 1.34 0.00 0.00 72.50 70.95 2qi1 s THR 4 CO -0.08 -0.23 1.33 0.18 -0.54 0.00 0.00 174.62 175.29 2qi1 n LEU 5 N -2.91 3.38 -0.32 4.79 4.77 -1.26 -4.55 117.00 120.90 2qi1 n LEU 5 Ca 0.07 -3.50 -0.00 0.00 -0.03 0.00 0.00 56.01 52.54 2qi1 n LEU 5 Cb 0.59 -0.55 0.17 0.00 -2.33 0.00 0.00 43.42 41.30 2qi1 n LEU 5 CO 0.54 1.05 1.27 -0.50 -1.33 0.00 0.00 177.39 178.43 2qi1 h TRP 6 N 0.95 1.13 -1.75 -1.77 4.06 -2.06 -3.44 115.95 113.07 2qi1 h TRP 6 Ca 0.08 0.03 -0.62 0.00 2.06 0.00 0.00 58.89 60.44 2qi1 h TRP 6 Cb 1.33 -0.38 -0.13 0.00 -1.00 0.00 0.00 29.16 28.98 2qi1 h TRP 6 CO 0.64 0.70 -0.61 -1.59 -3.56 0.00 0.00 178.44 174.02 2qi1 s LYS 7 N -6.00 1.93 0.26 0.49 -2.85 -1.26 -5.10 119.74 107.20 2qi1 s LYS 7 Ca -0.12 -2.08 -0.31 0.00 -1.00 0.00 0.00 55.97 52.46 2qi1 s LYS 7 Cb 0.18 -1.61 -0.12 0.00 -2.06 0.00 0.00 37.83 34.22 2qi1 s LYS 7 CO 0.80 -0.04 1.57 0.54 0.10 0.00 0.00 175.35 178.33 2qi1 n ARG 8 N -0.94 2.53 -1.68 1.78 1.74 -1.26 -4.87 116.66 113.96 2qi1 n ARG 8 Ca -0.05 0.90 -0.42 0.00 -0.77 0.00 0.00 57.85 57.51 2qi1 n ARG 8 Cb 0.67 -2.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 2qi1 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi1 n PRO 9 N 2.41 2.52 -3.03 5.56 -0.04 -1.26 -4.94 135.00 136.22 2qi1 n PRO 9 Ca 0.11 -2.48 -0.40 0.00 -0.04 0.00 0.00 63.50 60.69 2qi1 n PRO 9 Cb 0.35 -3.23 -0.05 0.00 -0.04 0.00 0.00 33.50 30.52 2qi1 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi1 s LEU 10 N 2.43 4.47 0.11 1.53 1.43 -1.26 -1.06 118.68 126.34 2qi1 s LEU 10 Ca 0.51 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 2qi1 s LEU 10 Cb 0.13 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 2qi1 s LEU 10 CO -0.02 0.07 -0.03 0.68 0.23 0.00 0.00 176.35 177.28 2qi1 s VAL 11 N -0.28 0.53 -0.04 -1.59 -7.23 0.03 -4.93 120.40 106.89 2qi1 s VAL 11 Ca 0.37 -1.92 -0.26 0.00 -1.81 0.00 0.00 61.98 58.35 2qi1 s VAL 11 Cb -0.20 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2qi1 s VAL 11 CO 0.22 -0.75 0.83 -0.89 -0.31 0.00 0.00 175.10 174.20 2qi1 s THR 12 N -3.74 4.96 0.24 5.32 2.01 -1.26 -0.80 115.64 122.38 2qi1 s THR 12 Ca 0.15 1.73 0.11 0.00 0.31 0.00 0.00 61.69 64.00 2qi1 s THR 12 Cb 0.06 -4.17 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 2qi1 s THR 12 CO -0.03 0.21 -0.19 0.27 -0.69 0.00 0.00 174.62 174.19 2qi1 s ILE 13 N 0.90 2.57 -0.09 1.82 -4.36 0.69 -2.45 121.20 120.29 2qi1 s ILE 13 Ca 0.44 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.67 2qi1 s ILE 13 Cb -0.19 -2.30 0.01 0.00 1.25 0.00 0.00 42.46 41.23 2qi1 s ILE 13 CO 0.23 -0.27 -0.13 -0.60 0.24 0.00 0.00 174.94 174.40 2qi1 s ARG 14 N -3.17 1.88 -0.18 0.37 3.52 0.35 -1.44 118.95 120.28 2qi1 s ARG 14 Ca 0.26 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.39 2qi1 s ARG 14 Cb -0.06 -1.61 0.05 0.00 -1.56 0.00 0.00 34.95 31.77 2qi1 s ARG 14 CO 0.14 -0.04 0.02 -1.50 -0.81 0.00 0.00 175.30 173.10 2qi1 s ILE 15 N 0.91 0.63 0.00 4.11 2.07 -0.50 -1.20 121.20 127.22 2qi1 s ILE 15 Ca -0.09 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 58.61 2qi1 s ILE 15 Cb -0.15 -1.06 0.00 0.00 0.13 0.00 0.00 42.46 41.38 2qi1 s ILE 15 CO 0.00 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.53 2qi1 n GLY 16 N 5.02 3.55 1.66 1.50 0.00 -1.26 -1.60 105.19 114.06 2qi1 n GLY 16 Ca -0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 2qi1 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi1 n GLY 17 N 0.00 3.16 3.08 -0.02 0.00 -1.26 -4.84 105.19 105.31 2qi1 n GLY 17 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 2qi1 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi1 s GLN 18 N -2.20 2.59 -0.14 1.61 -1.52 -0.62 -5.10 119.66 114.27 2qi1 s GLN 18 Ca 0.37 -0.68 -0.07 0.00 -1.95 0.00 0.00 55.36 53.03 2qi1 s GLN 18 Cb 0.30 -2.23 -0.04 0.00 -0.22 0.00 0.00 33.01 30.82 2qi1 s GLN 18 CO 0.09 -0.14 0.10 -0.51 -0.25 0.00 0.00 175.29 174.57 2qi1 s LEU 19 N 1.19 4.11 0.05 2.90 1.02 -1.26 -1.41 118.68 125.28 2qi1 s LEU 19 Ca -0.00 0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.39 2qi1 s LEU 19 Cb -0.14 -2.02 -0.02 0.00 0.02 0.00 0.00 46.19 44.04 2qi1 s LEU 19 CO -0.07 0.31 0.08 -0.54 0.02 0.00 0.00 176.35 176.14 2qi1 s LYS 20 N -0.42 0.65 -0.17 1.70 1.02 -0.52 -4.99 119.74 117.00 2qi1 s LYS 20 Ca 0.11 -0.93 -0.13 0.00 0.02 0.00 0.00 55.97 55.04 2qi1 s LYS 20 Cb -0.12 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 2qi1 s LYS 20 CO 0.02 -0.16 0.24 -1.21 -0.92 0.00 0.00 175.35 173.32 2qi1 s GLU 21 N -3.26 4.24 0.06 1.68 0.41 -1.26 -0.22 118.70 120.35 2qi1 s GLU 21 Ca 0.01 -0.00 0.03 0.00 -0.41 0.00 0.00 54.97 54.59 2qi1 s GLU 21 Cb 0.03 -3.42 -0.03 0.00 -1.78 0.00 0.00 34.13 28.92 2qi1 s GLU 21 CO -0.08 0.25 -0.10 0.00 -0.49 0.00 0.00 175.26 174.85 2qi1 s ALA 22 N 0.44 0.83 -0.14 5.21 0.00 0.02 -4.39 121.76 123.74 2qi1 s ALA 22 Ca 0.14 -0.92 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 2qi1 s ALA 22 Cb -0.12 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 2qi1 s ALA 22 CO 0.02 0.02 0.69 -1.17 0.00 0.00 0.00 175.76 175.32 2qi1 s LEU 23 N -1.81 4.22 -0.39 0.00 2.96 0.72 -0.79 118.68 123.59 2qi1 s LEU 23 Ca -0.05 1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 54.60 2qi1 s LEU 23 Cb -0.08 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.60 2qi1 s LEU 23 CO 0.01 -0.23 1.22 -0.76 -1.32 0.00 0.00 176.35 175.26 2qi1 s LEU 24 N 1.52 3.75 -0.45 -0.68 1.43 -0.22 -0.43 118.68 123.60 2qi1 s LEU 24 Ca 0.34 0.85 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 2qi1 s LEU 24 Cb -0.17 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.64 2qi1 s LEU 24 CO 0.13 -1.16 0.24 -0.62 0.23 0.00 0.00 176.35 175.17 2qi1 s ASP 25 N 2.64 3.85 0.53 2.29 3.68 -0.25 -4.78 116.67 124.63 2qi1 s ASP 25 Ca 0.52 -2.69 0.35 0.00 2.13 0.00 0.00 52.55 52.86 2qi1 s ASP 25 Cb -0.12 -1.19 1.66 0.00 -1.45 0.00 0.00 42.92 41.82 2qi1 s ASP 25 CO 0.26 -0.26 2.05 0.71 0.13 0.00 0.00 175.17 178.06 2qi1 h THR 26 N 5.36 0.00 -0.00 1.71 1.35 -1.93 -1.85 112.91 117.55 2qi1 h THR 26 Ca -0.03 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2qi1 h THR 26 Cb 0.92 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2qi1 h THR 26 CO 0.54 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.36 2qi1 n GLY 27 N -0.45 -1.21 3.58 5.82 0.00 -1.26 -4.79 105.19 106.88 2qi1 n GLY 27 Ca -0.01 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2qi1 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi1 s ALA 28 N -2.61 3.42 0.34 4.61 0.00 -0.70 -4.97 121.76 121.86 2qi1 s ALA 28 Ca 0.26 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.32 2qi1 s ALA 28 Cb 0.20 -2.21 0.60 0.00 0.00 0.00 0.00 23.12 21.71 2qi1 s ALA 28 CO 0.48 -0.29 1.80 -0.44 0.00 0.00 0.00 175.76 177.31 2qi1 h ASP 29 N 7.77 0.25 -2.72 0.00 3.32 -1.86 -0.41 116.42 122.76 2qi1 h ASP 29 Ca -0.37 -0.08 -0.52 0.00 0.02 0.00 0.00 57.03 56.08 2qi1 h ASP 29 Cb 1.18 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 2qi1 h ASP 29 CO 0.62 0.52 -0.73 -1.81 -1.72 0.00 0.00 179.24 176.12 2qi1 s ASP 30 N -6.87 3.04 -0.16 6.45 1.01 -1.26 -2.82 116.67 116.06 2qi1 s ASP 30 Ca -0.05 -1.06 -0.15 0.00 0.71 0.00 0.00 52.55 52.00 2qi1 s ASP 30 Cb 0.14 -0.21 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 2qi1 s ASP 30 CO 0.75 -0.12 0.35 -0.89 0.21 0.00 0.00 175.17 175.48 2qi1 s THR 31 N -2.79 5.26 -0.11 -1.27 2.01 -1.26 -3.33 115.64 114.16 2qi1 s THR 31 Ca 0.27 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.94 2qi1 s THR 31 Cb -0.01 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2qi1 s THR 31 CO 0.11 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 2qi1 s VAL 32 N 0.65 1.08 0.11 3.82 1.01 -0.01 -0.60 120.40 126.45 2qi1 s VAL 32 Ca 0.19 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.91 2qi1 s VAL 32 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2qi1 s VAL 32 CO 0.06 0.37 -0.19 -0.76 0.00 0.00 0.00 175.10 174.58 2qi1 s LEU 33 N 1.48 2.65 0.83 3.92 1.43 0.95 0.10 118.68 130.05 2qi1 s LEU 33 Ca 0.01 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 2qi1 s LEU 33 Cb -0.13 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.62 2qi1 s LEU 33 CO -0.06 0.19 0.84 -1.84 0.23 0.00 0.00 176.35 175.71 2qi1 n GLU 34 N 0.91 0.04 -1.59 1.70 0.28 -1.26 -1.96 120.64 118.76 2qi1 n GLU 34 Ca -0.16 0.08 -0.53 0.00 -0.16 0.00 0.00 57.16 56.39 2qi1 n GLU 34 Cb 0.53 -2.14 -0.06 0.00 1.43 0.00 0.00 31.44 31.19 2qi1 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2qi1 n GLU 35 N -2.35 1.08 -3.58 3.44 4.07 -1.11 -4.56 120.64 117.63 2qi1 n GLU 35 Ca 0.11 0.39 -0.15 0.00 -0.06 0.00 0.00 57.16 57.45 2qi1 n GLU 35 Cb 0.51 -2.03 -0.06 0.00 -0.06 0.00 0.00 31.44 29.80 2qi1 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qi1 s MET 36 N 0.65 0.89 -1.17 5.31 0.23 -1.26 -5.01 119.30 118.94 2qi1 s MET 36 Ca 0.86 0.56 -0.09 0.00 -1.03 0.00 0.00 55.69 55.99 2qi1 s MET 36 Cb -0.98 0.42 0.24 0.00 -1.53 0.00 0.00 34.83 32.98 2qi1 s MET 36 CO 0.49 -0.21 1.51 -1.71 -2.03 0.00 0.00 175.02 173.07 2qi1 n ASN 37 N 1.68 5.62 -4.78 -1.18 4.05 -1.26 -5.01 115.26 114.39 2qi1 n ASN 37 Ca -0.16 -3.16 -0.36 0.00 0.45 0.00 0.00 54.58 51.35 2qi1 n ASN 37 Cb 0.56 -1.41 -0.03 0.00 1.23 0.00 0.00 39.78 40.13 2qi1 n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qi1 s LEU 38 N -0.86 4.06 0.66 1.20 1.43 -1.26 -5.03 118.68 118.89 2qi1 s LEU 38 Ca 0.36 2.13 -0.14 0.00 -1.03 0.00 0.00 54.13 55.45 2qi1 s LEU 38 Cb 0.01 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2qi1 s LEU 38 CO 0.02 -0.69 1.09 -2.16 0.23 0.00 0.00 176.35 174.84 2qi1 s PRO 39 N -2.64 2.87 0.00 1.29 0.04 -1.26 -4.97 135.00 130.33 2qi1 s PRO 39 Ca 0.61 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2qi1 s PRO 39 Cb -0.24 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2qi1 s PRO 39 CO 0.30 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.57 2qi1 n GLY 40 N -0.96 -3.78 3.79 0.56 0.00 -1.26 -5.00 105.19 98.54 2qi1 n GLY 40 Ca 0.09 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2qi1 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi1 s LYS 41 N -0.83 3.34 0.21 1.61 0.00 -1.26 -5.07 119.74 117.74 2qi1 s LYS 41 Ca 0.00 1.32 -0.15 0.00 0.00 0.00 0.00 55.97 57.15 2qi1 s LYS 41 Cb 0.00 -2.03 0.01 0.00 0.00 0.00 0.00 37.83 35.81 2qi1 s LYS 41 CO 0.00 -0.81 0.48 1.67 0.00 0.00 0.00 175.35 176.69 2qi1 s TRP 42 N -2.24 0.12 0.01 1.78 1.48 -1.26 -4.50 118.94 114.32 2qi1 s TRP 42 Ca 0.66 -0.48 0.03 0.00 -1.06 0.00 0.00 56.10 55.26 2qi1 s TRP 42 Cb -0.18 0.27 -0.01 0.00 -1.16 0.00 0.00 33.47 32.39 2qi1 s TRP 42 CO 0.33 -0.92 -0.11 0.15 -4.06 0.00 0.00 176.95 172.34 2qi1 s LYS 43 N -3.94 0.81 0.46 3.25 -0.14 -0.59 -4.92 119.74 114.68 2qi1 s LYS 43 Ca 0.15 -0.50 -0.21 0.00 -1.36 0.00 0.00 55.97 54.05 2qi1 s LYS 43 Cb -0.00 -0.77 -0.09 0.00 -1.68 0.00 0.00 37.83 35.28 2qi1 s LYS 43 CO 0.02 0.20 1.03 -1.25 -0.76 0.00 0.00 175.35 174.59 2qi1 s PRO 44 N -0.60 3.94 0.09 -1.68 0.04 -1.26 0.08 135.00 135.61 2qi1 s PRO 44 Ca 0.02 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2qi1 s PRO 44 Cb -0.05 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.31 2qi1 s PRO 44 CO 0.00 -0.32 0.44 0.21 0.04 0.00 0.00 177.00 177.37 2qi1 s LYS 45 N -3.04 1.04 -0.09 4.56 2.20 -0.69 -4.88 119.74 118.84 2qi1 s LYS 45 Ca 0.64 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.75 2qi1 s LYS 45 Cb -0.17 0.46 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2qi1 s LYS 45 CO 0.21 -0.39 -0.18 -1.64 -0.36 0.00 0.00 175.35 172.98 2qi1 s MET 46 N -3.25 2.44 0.02 4.03 -1.94 -1.26 -0.83 119.30 118.51 2qi1 s MET 46 Ca -0.01 -0.66 0.09 0.00 -1.71 0.00 0.00 55.69 53.40 2qi1 s MET 46 Cb 0.01 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.89 2qi1 s MET 46 CO -0.08 0.08 -0.26 0.96 -0.01 0.00 0.00 175.02 175.71 2qi1 s ILE 47 N 0.58 2.08 0.01 2.53 -4.36 -0.75 -4.96 121.20 116.32 2qi1 s ILE 47 Ca -0.15 -1.26 0.06 0.00 -0.26 0.00 0.00 60.65 59.04 2qi1 s ILE 47 Cb -0.17 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.76 2qi1 s ILE 47 CO 0.05 0.45 -0.16 -0.83 0.24 0.00 0.00 174.94 174.70 2qi1 s GLY 48 N -0.96 1.57 0.00 6.27 0.00 -1.26 -1.48 107.32 111.46 2qi1 s GLY 48 Ca 0.11 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.73 2qi1 s GLY 48 CO 0.01 -0.96 0.00 0.61 0.00 0.00 0.00 173.10 172.76 2qi1 n GLY 49 N 1.81 3.88 3.71 0.20 0.00 -0.21 -4.98 105.19 109.59 2qi1 n GLY 49 Ca -0.16 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2qi1 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qi1 s ILE 50 N -1.68 2.54 0.00 -0.61 1.01 -1.26 -1.93 121.20 119.27 2qi1 s ILE 50 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 2qi1 s ILE 50 Cb 0.00 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.27 2qi1 s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2qi1 n GLY 51 N 3.90 2.47 0.00 6.18 0.00 -1.26 -4.93 105.19 111.56 2qi1 n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2qi1 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi1 n GLY 52 N -2.00 0.42 3.74 -0.02 0.00 -0.82 -5.08 105.19 101.44 2qi1 n GLY 52 Ca 0.00 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 2qi1 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi1 s PHE 53 N -0.87 3.05 0.15 1.61 0.40 -1.26 -1.05 117.98 120.02 2qi1 s PHE 53 Ca 0.00 -0.04 0.07 0.00 -0.60 0.00 0.00 56.93 56.36 2qi1 s PHE 53 Cb 0.00 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 2qi1 s PHE 53 CO 0.00 0.51 -0.16 0.96 0.70 0.00 0.00 175.22 177.23 2qi1 s ILE 54 N -1.65 1.61 -0.03 0.64 -4.36 -0.55 -4.98 121.20 111.88 2qi1 s ILE 54 Ca 0.29 -1.88 -0.20 0.00 -0.26 0.00 0.00 60.65 58.61 2qi1 s ILE 54 Cb -0.10 -1.75 -0.05 0.00 1.25 0.00 0.00 42.46 41.81 2qi1 s ILE 54 CO 0.21 -0.39 0.56 -0.75 0.24 0.00 0.00 174.94 174.81 2qi1 s LYS 55 N -2.86 4.28 0.24 0.37 2.20 -1.26 -1.80 119.74 120.91 2qi1 s LYS 55 Ca 0.14 0.65 0.03 0.00 -0.36 0.00 0.00 55.97 56.43 2qi1 s LYS 55 Cb -0.05 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2qi1 s LYS 55 CO 0.05 0.35 0.01 0.14 -0.36 0.00 0.00 175.35 175.55 2qi1 s VAL 56 N -0.10 1.00 -0.22 4.02 -7.23 -0.01 -4.34 120.40 113.52 2qi1 s VAL 56 Ca 0.29 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2qi1 s VAL 56 Cb -0.17 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 2qi1 s VAL 56 CO 0.16 -0.27 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.52 2qi1 s ARG 57 N -3.88 3.44 -0.33 4.82 0.52 0.94 -1.70 118.95 122.76 2qi1 s ARG 57 Ca 0.30 -0.60 -0.24 0.00 -0.52 0.00 0.00 55.73 54.67 2qi1 s ARG 57 Cb 0.06 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.51 2qi1 s ARG 57 CO 0.10 -0.15 0.83 -1.14 0.02 0.00 0.00 175.30 174.96 2qi1 s GLN 58 N 1.36 3.90 -0.11 3.54 0.74 0.11 -0.77 119.66 128.44 2qi1 s GLN 58 Ca 0.04 0.56 -0.03 0.00 0.05 0.00 0.00 55.36 55.98 2qi1 s GLN 58 Cb -0.14 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2qi1 s GLN 58 CO -0.02 -0.77 0.01 0.71 -0.55 0.00 0.00 175.29 174.67 2qi1 s TYR 59 N 3.11 3.16 0.16 1.67 1.51 -0.19 -1.54 117.35 125.23 2qi1 s TYR 59 Ca 0.34 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.54 2qi1 s TYR 59 Cb -0.13 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2qi1 s TYR 59 CO 0.15 0.34 0.17 -0.51 -1.11 0.00 0.00 175.55 174.59 2qi1 s ASP 60 N -0.48 5.72 -1.30 2.29 1.01 -1.26 -0.88 116.67 121.77 2qi1 s ASP 60 Ca 0.09 -0.05 -0.04 0.00 0.71 0.00 0.00 52.55 53.25 2qi1 s ASP 60 Cb -0.12 -1.56 -0.00 0.00 1.01 0.00 0.00 42.92 42.25 2qi1 s ASP 60 CO 0.02 0.07 0.63 0.00 0.21 0.00 0.00 175.17 176.10 2qi1 n GLN 61 N -0.36 -3.62 -3.54 8.23 1.13 -1.10 -4.91 117.38 113.21 2qi1 n GLN 61 Ca -0.08 0.53 -0.38 0.00 -1.94 0.00 0.00 57.00 55.13 2qi1 n GLN 61 Cb 0.54 -4.80 -0.10 0.00 0.11 0.00 0.00 30.24 25.99 2qi1 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi1 s ILE 62 N -3.72 5.28 0.22 5.09 -1.09 -0.28 -4.75 121.20 121.95 2qi1 s ILE 62 Ca 0.10 0.28 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 2qi1 s ILE 62 Cb -0.03 -3.57 -0.09 0.00 -1.58 0.00 0.00 42.46 37.19 2qi1 s ILE 62 CO 0.84 0.23 1.22 -2.84 -1.23 0.00 0.00 174.94 173.17 2qi1 s PRO 63 N 1.79 4.48 -0.07 2.79 0.02 -1.26 -2.13 135.00 140.62 2qi1 s PRO 63 Ca 0.09 1.94 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 2qi1 s PRO 63 Cb -0.16 -3.21 0.03 0.00 0.02 0.00 0.00 34.50 31.19 2qi1 s PRO 63 CO 0.10 -0.09 0.16 -1.50 -0.33 0.00 0.00 177.00 175.34 2qi1 s ILE 64 N -0.28 -0.03 -0.21 2.83 2.07 -0.14 -4.63 121.20 120.81 2qi1 s ILE 64 Ca 0.52 0.10 -0.08 0.00 -1.41 0.00 0.00 60.65 59.78 2qi1 s ILE 64 Cb -0.34 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 2qi1 s ILE 64 CO 0.39 0.04 0.07 -0.70 -1.91 0.00 0.00 174.94 172.84 2qi1 s GLU 65 N 0.70 3.85 -0.24 3.50 2.12 -0.34 -0.83 118.70 127.46 2qi1 s GLU 65 Ca -0.05 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.91 2qi1 s GLU 65 Cb -0.07 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.09 2qi1 s GLU 65 CO -0.04 0.07 -0.11 0.42 -0.54 0.00 0.00 175.26 175.06 2qi1 s ILE 66 N 0.93 2.05 -1.65 -3.70 1.01 0.17 -0.50 121.20 119.51 2qi1 s ILE 66 Ca 0.04 -1.47 -0.16 0.00 0.00 0.00 0.00 60.65 59.06 2qi1 s ILE 66 Cb -0.14 -2.14 0.13 0.00 0.01 0.00 0.00 42.46 40.32 2qi1 s ILE 66 CO 0.03 0.04 0.80 0.00 0.00 0.00 0.00 174.94 175.81 2qi1 n GLY 68 N -1.50 0.69 3.68 0.00 0.00 -1.26 -5.02 105.19 101.77 2qi1 n GLY 68 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 2qi1 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi1 s HIS 69 N -2.03 3.22 -0.00 1.61 4.02 0.17 -5.09 115.29 117.18 2qi1 s HIS 69 Ca 0.00 0.16 -0.27 0.00 1.02 0.00 0.00 55.06 55.97 2qi1 s HIS 69 Cb 0.00 -1.88 -0.04 0.00 -1.02 0.00 0.00 32.58 29.64 2qi1 s HIS 69 CO 0.00 0.39 0.84 0.15 1.02 0.00 0.00 174.74 177.14 2qi1 s LYS 70 N -0.52 4.52 0.11 1.40 1.02 -1.26 -0.65 119.74 124.35 2qi1 s LYS 70 Ca 0.10 1.17 0.02 0.00 0.02 0.00 0.00 55.97 57.28 2qi1 s LYS 70 Cb -0.12 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 2qi1 s LYS 70 CO 0.02 0.08 -0.07 0.00 -0.92 0.00 0.00 175.35 174.46 2qi1 s ALA 71 N 0.64 1.11 -0.21 5.17 0.00 -0.01 -4.68 121.76 123.78 2qi1 s ALA 71 Ca 0.44 -1.40 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 2qi1 s ALA 71 Cb -0.20 0.16 0.07 0.00 0.00 0.00 0.00 23.12 23.15 2qi1 s ALA 71 CO 0.24 -0.21 0.48 -1.50 0.00 0.00 0.00 175.76 174.77 2qi1 s ILE 72 N -3.56 -0.19 -0.84 0.00 2.07 -1.26 -0.97 121.20 116.45 2qi1 s ILE 72 Ca 0.14 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.46 2qi1 s ILE 72 Cb 0.05 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.91 2qi1 s ILE 72 CO -0.03 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2qi1 n GLY 73 N 4.56 -0.66 3.73 1.50 0.00 -0.91 -4.85 105.19 108.55 2qi1 n GLY 73 Ca -0.19 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2qi1 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi1 s THR 74 N -3.00 4.48 -0.08 2.61 2.01 -1.26 -1.12 115.64 119.28 2qi1 s THR 74 Ca 0.00 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.01 2qi1 s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2qi1 s THR 74 CO 0.00 0.28 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.39 2qi1 s VAL 75 N 0.20 1.23 -0.16 3.82 1.01 -0.05 -4.45 120.40 121.99 2qi1 s VAL 75 Ca 0.49 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2qi1 s VAL 75 Cb -0.24 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2qi1 s VAL 75 CO 0.30 0.38 0.21 -0.76 0.00 0.00 0.00 175.10 175.23 2qi1 s LEU 76 N 0.84 4.27 -0.11 3.92 1.43 0.23 -1.02 118.68 128.23 2qi1 s LEU 76 Ca -0.11 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 2qi1 s LEU 76 Cb -0.15 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.85 2qi1 s LEU 76 CO 0.01 0.19 -0.22 -0.69 0.23 0.00 0.00 176.35 175.88 2qi1 s VAL 77 N 0.11 1.96 -0.03 -1.59 1.01 0.05 -0.03 120.40 121.88 2qi1 s VAL 77 Ca 0.13 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2qi1 s VAL 77 Cb -0.12 -1.72 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2qi1 s VAL 77 CO 0.02 0.54 0.57 0.61 0.00 0.00 0.00 175.10 176.83 2qi1 n GLY 78 N 3.79 0.30 2.30 4.51 0.00 -0.83 -0.04 105.19 115.22 2qi1 n GLY 78 Ca -0.20 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2qi1 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi1 n PRO 79 N -0.41 3.27 -2.70 1.61 -0.04 -1.26 -2.76 135.00 132.71 2qi1 n PRO 79 Ca 0.03 -1.94 -0.39 0.00 -0.04 0.00 0.00 63.50 61.16 2qi1 n PRO 79 Cb 0.24 -2.64 -0.06 0.00 -0.04 0.00 0.00 33.50 31.00 2qi1 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi1 s THR 80 N 2.16 3.99 -0.79 0.52 -1.32 -1.26 -4.96 115.64 113.98 2qi1 s THR 80 Ca 0.66 1.84 0.21 0.00 -1.21 0.00 0.00 61.69 63.19 2qi1 s THR 80 Cb 0.19 -4.10 0.20 0.00 -1.51 0.00 0.00 72.50 67.28 2qi1 s THR 80 CO -0.05 0.31 1.66 -0.81 -2.21 0.00 0.00 174.62 173.52 2qi1 n PRO 81 N 0.98 0.10 -3.79 7.08 -0.04 -1.26 -4.69 135.00 133.39 2qi1 n PRO 81 Ca 0.00 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2qi1 n PRO 81 Cb 0.48 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 32.16 2qi1 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qi1 s VAL 82 N -3.12 0.02 0.08 0.52 0.11 -1.26 -5.10 120.40 111.64 2qi1 s VAL 82 Ca 0.08 -0.15 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 2qi1 s VAL 82 Cb 0.11 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2qi1 s VAL 82 CO 0.39 -0.08 1.05 0.20 -3.33 0.00 0.00 175.10 173.33 2qi1 s ASN 83 N -0.25 7.31 -0.14 3.54 0.01 -1.26 -4.69 114.94 119.47 2qi1 s ASN 83 Ca -0.04 1.86 0.00 0.00 -0.71 0.00 0.00 52.86 53.98 2qi1 s ASN 83 Cb -0.03 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2qi1 s ASN 83 CO 0.01 -0.25 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.58 2qi1 s ILE 84 N 0.52 1.52 -0.40 0.60 1.01 0.11 -0.20 121.20 124.38 2qi1 s ILE 84 Ca 0.52 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 2qi1 s ILE 84 Cb -0.25 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.80 2qi1 s ILE 84 CO 0.30 0.45 0.41 -0.63 0.00 0.00 0.00 174.94 175.47 2qi1 s ILE 85 N 1.42 5.12 0.60 2.92 -1.09 0.43 -0.83 121.20 129.78 2qi1 s ILE 85 Ca 0.03 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 2qi1 s ILE 85 Cb -0.13 -3.97 0.11 0.00 -1.58 0.00 0.00 42.46 36.89 2qi1 s ILE 85 CO -0.09 -0.32 0.83 0.61 -1.23 0.00 0.00 174.94 174.74 2qi1 n GLY 86 N 5.06 1.28 0.29 6.18 0.00 -1.21 -1.09 105.19 115.70 2qi1 n GLY 86 Ca -0.08 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.89 2qi1 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qi1 h ARG 87 N 0.00 0.21 -0.65 1.61 3.08 -1.09 -1.01 114.38 116.52 2qi1 h ARG 87 Ca -0.28 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 59.88 2qi1 h ARG 87 Cb 1.14 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 2qi1 h ARG 87 CO 0.34 0.14 0.44 -2.95 -1.07 0.00 0.00 179.97 176.87 2qi1 h ASN 88 N 0.22 0.36 0.00 7.04 -1.07 -1.80 -2.73 115.58 117.60 2qi1 h ASN 88 Ca 0.08 0.01 -0.30 0.00 0.07 0.00 0.00 56.30 56.16 2qi1 h ASN 88 Cb 0.04 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 36.17 2qi1 h ASN 88 CO -0.02 0.21 -2.20 0.18 0.07 0.00 0.00 177.43 175.67 2qi1 n LEU 89 N -4.47 0.00 -0.27 6.14 4.77 -0.83 -4.37 117.00 117.97 2qi1 n LEU 89 Ca 0.11 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 2qi1 n LEU 89 Cb 0.44 0.40 0.25 0.00 -2.33 0.00 0.00 43.42 42.18 2qi1 n LEU 89 CO 0.34 0.40 1.25 -0.07 -1.33 0.00 0.00 177.39 177.98 2qi1 h LEU 90 N 0.00 0.89 -0.97 2.23 3.38 -1.07 -1.51 115.31 118.25 2qi1 h LEU 90 Ca -0.45 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2qi1 h LEU 90 Cb 2.00 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2qi1 h LEU 90 CO 0.02 0.59 0.29 0.71 0.09 0.00 0.00 178.44 180.15 2qi1 h THR 91 N 1.02 1.24 -0.01 0.22 1.35 -1.71 -0.95 112.91 114.08 2qi1 h THR 91 Ca 0.35 -0.73 -0.07 0.00 -0.55 0.00 0.00 66.41 65.41 2qi1 h THR 91 Cb 0.11 0.38 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2qi1 h THR 91 CO -0.12 0.30 -0.35 1.56 -0.25 0.00 0.00 175.52 176.66 2qi1 h GLN 92 N 1.02 0.01 -0.40 4.72 4.20 -1.48 -1.72 115.11 121.45 2qi1 h GLN 92 Ca 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2qi1 h GLN 92 Cb 0.18 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2qi1 h GLN 92 CO -0.02 0.36 0.00 0.44 -0.67 0.00 0.00 178.83 178.94 2qi1 n ILE 93 N -4.12 0.53 -1.10 2.54 -5.35 -1.09 -4.93 119.36 105.84 2qi1 n ILE 93 Ca -0.02 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2qi1 n ILE 93 Cb 0.39 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 2qi1 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi1 n GLY 94 N 1.32 0.53 3.70 3.28 0.00 -0.65 -5.02 105.19 108.35 2qi1 n GLY 94 Ca 0.17 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2qi1 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi1 s THR 96 N 1.70 1.76 -0.05 0.00 -4.23 -1.26 -4.63 115.64 108.93 2qi1 s THR 96 Ca 0.51 -2.12 -0.15 0.00 -1.18 0.00 0.00 61.69 58.75 2qi1 s THR 96 Cb -0.20 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 2qi1 s THR 96 CO 0.22 -0.51 0.39 -0.76 -0.54 0.00 0.00 174.62 173.42 2qi1 s LEU 97 N -3.11 4.41 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.81 2qi1 s LEU 97 Ca 0.20 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2qi1 s LEU 97 Cb -0.02 -2.55 0.01 0.00 0.03 0.00 0.00 46.19 43.66 2qi1 s LEU 97 CO 0.07 0.24 -0.03 0.20 0.23 0.00 0.00 176.35 177.06 2qi1 s ASN 98 N -0.58 0.57 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.79 2qi1 s ASN 98 Ca 0.23 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 2qi1 s ASN 98 Cb -0.16 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 2qi1 s ASN 98 CO 0.11 -0.02 0.00 2.22 -2.57 0.00 0.00 177.10 176.84