#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q55 s GLN 2 N 0.00 3.20 -0.20 -0.52 0.74 -1.26 -5.11 119.66 116.52 2q55 s GLN 2 Ca 0.00 -0.71 -0.00 0.00 0.05 0.00 0.00 55.36 54.70 2q55 s GLN 2 Cb 0.00 -2.55 0.02 0.00 1.10 0.00 0.00 33.01 31.57 2q55 s GLN 2 CO 0.00 0.28 -0.15 0.42 -0.55 0.00 0.00 175.29 175.29 2q55 s ILE 3 N 0.17 2.46 0.79 -2.34 1.01 -1.26 -5.12 121.20 116.90 2q55 s ILE 3 Ca -0.08 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 2q55 s ILE 3 Cb -0.15 -2.10 0.06 0.00 0.01 0.00 0.00 42.46 40.29 2q55 s ILE 3 CO 0.05 0.46 1.16 0.42 0.00 0.00 0.00 174.94 177.03 2q55 s THR 4 N 1.33 2.37 -0.15 2.92 -4.23 -1.26 -5.02 115.64 111.60 2q55 s THR 4 Ca 0.04 0.12 0.17 0.00 -1.18 0.00 0.00 61.69 60.84 2q55 s THR 4 Cb -0.14 -3.11 0.33 0.00 1.34 0.00 0.00 72.50 70.92 2q55 s THR 4 CO -0.10 -0.16 1.19 0.18 -0.54 0.00 0.00 174.62 175.20 2q55 n LEU 5 N -3.25 2.55 0.06 4.79 4.77 -1.26 -4.57 117.00 120.09 2q55 n LEU 5 Ca 0.08 -3.23 0.03 0.00 -0.03 0.00 0.00 56.01 52.85 2q55 n LEU 5 Cb 0.60 -0.46 0.40 0.00 -2.33 0.00 0.00 43.42 41.63 2q55 n LEU 5 CO 0.57 0.83 1.02 -0.50 -1.33 0.00 0.00 177.39 177.98 2q55 h TRP 6 N 0.31 0.40 -2.46 -1.77 4.06 -2.06 -3.44 115.95 110.99 2q55 h TRP 6 Ca 0.00 -0.02 -0.52 0.00 2.06 0.00 0.00 58.89 60.41 2q55 h TRP 6 Cb 1.04 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.94 2q55 h TRP 6 CO 0.18 0.36 -0.61 -1.59 -3.56 0.00 0.00 178.44 173.22 2q55 s LYS 7 N -5.11 1.74 0.19 0.49 -2.85 -1.26 -5.11 119.74 107.84 2q55 s LYS 7 Ca -0.07 -1.97 -0.33 0.00 -1.00 0.00 0.00 55.97 52.61 2q55 s LYS 7 Cb 0.16 -1.13 -0.13 0.00 -2.06 0.00 0.00 37.83 34.67 2q55 s LYS 7 CO 0.73 -0.13 1.55 0.54 0.10 0.00 0.00 175.35 178.15 2q55 n ARG 8 N -0.77 2.22 -1.87 1.78 1.74 -1.26 -4.84 116.66 113.67 2q55 n ARG 8 Ca -0.03 0.80 -0.41 0.00 -0.77 0.00 0.00 57.85 57.43 2q55 n ARG 8 Cb 0.66 -2.55 -0.02 0.00 -1.02 0.00 0.00 32.46 29.54 2q55 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2q55 n PRO 9 N 3.05 2.54 -3.30 5.56 -0.04 -1.26 -4.94 135.00 136.61 2q55 n PRO 9 Ca 0.15 -2.61 -0.39 0.00 -0.04 0.00 0.00 63.50 60.62 2q55 n PRO 9 Cb 0.30 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2q55 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q55 s LEU 10 N 3.45 4.49 0.11 1.53 1.43 -1.26 -1.01 118.68 127.42 2q55 s LEU 10 Ca 0.53 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.81 2q55 s LEU 10 Cb 0.10 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2q55 s LEU 10 CO 0.02 0.24 0.03 0.68 0.23 0.00 0.00 176.35 177.55 2q55 s VAL 11 N -0.88 0.17 -0.06 -1.59 -7.23 -0.09 -4.92 120.40 105.81 2q55 s VAL 11 Ca 0.28 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 58.29 2q55 s VAL 11 Cb -0.19 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 2q55 s VAL 11 CO 0.18 -0.61 0.87 -0.89 -0.31 0.00 0.00 175.10 174.33 2q55 s THR 12 N -3.99 4.92 0.15 5.32 2.01 -1.26 -1.22 115.64 121.57 2q55 s THR 12 Ca 0.19 1.79 0.10 0.00 0.31 0.00 0.00 61.69 64.09 2q55 s THR 12 Cb 0.08 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2q55 s THR 12 CO -0.01 0.16 -0.24 0.27 -0.69 0.00 0.00 174.62 174.10 2q55 s ILE 13 N 1.19 2.14 -0.08 1.82 -4.36 0.17 -2.77 121.20 119.31 2q55 s ILE 13 Ca 0.45 -1.81 0.04 0.00 -0.26 0.00 0.00 60.65 59.07 2q55 s ILE 13 Cb -0.19 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 2q55 s ILE 13 CO 0.22 -0.03 -0.22 -0.60 0.24 0.00 0.00 174.94 174.54 2q55 s ARG 14 N -2.28 2.71 -0.19 0.37 3.52 0.60 -1.26 118.95 122.43 2q55 s ARG 14 Ca 0.15 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.92 2q55 s ARG 14 Cb -0.09 -2.12 0.05 0.00 -1.56 0.00 0.00 34.95 31.23 2q55 s ARG 14 CO 0.07 0.21 -0.01 -1.50 -0.81 0.00 0.00 175.30 173.26 2q55 s ILE 15 N 0.26 0.88 0.00 4.11 2.07 -0.15 -1.04 121.20 127.33 2q55 s ILE 15 Ca -0.14 -0.67 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 2q55 s ILE 15 Cb -0.16 -1.23 0.00 0.00 0.13 0.00 0.00 42.46 41.20 2q55 s ILE 15 CO 0.07 -0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2q55 n GLY 16 N 4.93 3.48 0.66 1.50 0.00 -1.26 -1.36 105.19 113.13 2q55 n GLY 16 Ca -0.10 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.05 2q55 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q55 n GLY 17 N 0.00 0.71 3.29 -0.02 0.00 -1.26 -4.85 105.19 103.06 2q55 n GLY 17 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2q55 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q55 s GLN 18 N -1.60 3.26 -0.11 1.61 -1.52 -0.47 -5.10 119.66 115.72 2q55 s GLN 18 Ca 0.21 -0.73 -0.04 0.00 -1.95 0.00 0.00 55.36 52.85 2q55 s GLN 18 Cb 0.12 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.24 2q55 s GLN 18 CO 0.13 0.05 0.04 -0.51 -0.25 0.00 0.00 175.29 174.76 2q55 s LEU 19 N 0.73 3.77 0.05 2.90 1.02 -1.26 -0.98 118.68 124.91 2q55 s LEU 19 Ca -0.06 0.19 -0.08 0.00 0.02 0.00 0.00 54.13 54.20 2q55 s LEU 19 Cb -0.15 -1.89 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 2q55 s LEU 19 CO 0.01 0.34 0.15 -0.54 0.02 0.00 0.00 176.35 176.34 2q55 s LYS 20 N -0.66 0.68 -0.11 1.70 1.02 -0.39 -4.99 119.74 116.99 2q55 s LYS 20 Ca 0.11 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 2q55 s LYS 20 Cb -0.12 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 2q55 s LYS 20 CO 0.02 -0.19 0.24 -1.21 -0.92 0.00 0.00 175.35 173.29 2q55 s GLU 21 N -2.90 3.85 -0.02 1.68 0.41 -1.26 -0.65 118.70 119.80 2q55 s GLU 21 Ca -0.02 0.04 -0.06 0.00 -0.41 0.00 0.00 54.97 54.52 2q55 s GLU 21 Cb 0.01 -3.28 0.01 0.00 -1.78 0.00 0.00 34.13 29.08 2q55 s GLU 21 CO -0.06 0.56 0.14 0.00 -0.49 0.00 0.00 175.26 175.41 2q55 s ALA 22 N -0.50 -0.33 0.05 5.21 0.00 -0.36 -4.34 121.76 121.50 2q55 s ALA 22 Ca 0.17 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 2q55 s ALA 22 Cb -0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2q55 s ALA 22 CO 0.05 -0.15 1.14 -0.51 0.00 0.00 0.00 175.76 176.30 2q55 s LEU 23 N -0.82 4.37 -0.44 0.00 1.43 0.38 -0.91 118.68 122.70 2q55 s LEU 23 Ca -0.09 1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 54.66 2q55 s LEU 23 Cb -0.05 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.60 2q55 s LEU 23 CO 0.01 -0.41 1.43 -0.76 0.23 0.00 0.00 176.35 176.85 2q55 s LEU 24 N 0.99 3.55 -0.40 1.79 1.43 -0.18 0.03 118.68 125.88 2q55 s LEU 24 Ca 0.57 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 2q55 s LEU 24 Cb -0.28 -3.45 0.11 0.00 0.03 0.00 0.00 46.19 42.61 2q55 s LEU 24 CO 0.29 -1.50 0.15 -0.62 0.23 0.00 0.00 176.35 174.90 2q55 s ASP 25 N 4.15 4.30 0.56 2.29 3.68 -0.18 -4.80 116.67 126.67 2q55 s ASP 25 Ca 0.60 -2.38 0.34 0.00 2.13 0.00 0.00 52.55 53.25 2q55 s ASP 25 Cb -0.13 -1.38 1.51 0.00 -1.45 0.00 0.00 42.92 41.47 2q55 s ASP 25 CO 0.31 -0.33 2.04 0.71 0.13 0.00 0.00 175.17 178.04 2q55 h THR 26 N 6.04 0.12 -0.17 1.71 1.35 -1.93 -2.40 112.91 117.63 2q55 h THR 26 Ca -0.06 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2q55 h THR 26 Cb 0.97 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2q55 h THR 26 CO 0.55 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2q55 n GLY 27 N -0.22 0.27 3.48 5.82 0.00 -1.26 -4.79 105.19 108.50 2q55 n GLY 27 Ca -0.00 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 2q55 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q55 s ALA 28 N -1.78 3.26 0.29 4.61 0.00 -0.90 -4.97 121.76 122.26 2q55 s ALA 28 Ca 0.32 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 2q55 s ALA 28 Cb 0.17 -2.19 0.40 0.00 0.00 0.00 0.00 23.12 21.50 2q55 s ALA 28 CO 0.26 -0.53 1.92 -0.44 0.00 0.00 0.00 175.76 176.97 2q55 h ASP 29 N 8.28 0.93 -3.22 0.00 3.32 -1.86 0.15 116.42 124.01 2q55 h ASP 29 Ca -0.37 -0.07 -0.45 0.00 0.02 0.00 0.00 57.03 56.16 2q55 h ASP 29 Cb 1.18 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 2q55 h ASP 29 CO 0.57 0.73 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.33 2q55 s ASP 30 N -6.37 2.50 -0.19 6.45 1.01 -1.26 -3.02 116.67 115.79 2q55 s ASP 30 Ca -0.11 -1.14 -0.19 0.00 0.71 0.00 0.00 52.55 51.81 2q55 s ASP 30 Cb 0.17 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.95 2q55 s ASP 30 CO 0.80 -0.33 0.55 -0.89 0.21 0.00 0.00 175.17 175.51 2q55 s THR 31 N -3.09 5.09 -0.21 -1.27 2.01 -1.26 -3.41 115.64 113.49 2q55 s THR 31 Ca 0.27 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.29 2q55 s THR 31 Cb 0.03 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2q55 s THR 31 CO 0.09 0.17 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.41 2q55 s VAL 32 N 1.65 1.62 0.09 3.82 1.01 -0.32 -0.70 120.40 127.57 2q55 s VAL 32 Ca 0.25 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2q55 s VAL 32 Cb -0.16 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2q55 s VAL 32 CO 0.10 0.09 -0.06 -0.76 0.00 0.00 0.00 175.10 174.48 2q55 s LEU 33 N 1.39 3.22 1.02 3.92 1.43 0.47 -0.41 118.68 129.72 2q55 s LEU 33 Ca -0.03 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2q55 s LEU 33 Cb -0.17 -1.98 0.20 0.00 0.03 0.00 0.00 46.19 44.28 2q55 s LEU 33 CO -0.08 0.18 1.09 -1.83 0.23 0.00 0.00 176.35 175.95 2q55 s GLU 34 N -2.19 0.20 0.06 1.70 -1.05 -1.26 -1.88 118.70 114.27 2q55 s GLU 34 Ca 0.23 1.23 -0.35 0.00 -0.15 0.00 0.00 54.97 55.93 2q55 s GLU 34 Cb -0.11 -1.66 -0.15 0.00 -0.44 0.00 0.00 34.13 31.77 2q55 s GLU 34 CO 0.15 -3.09 1.55 -1.91 0.95 0.00 0.00 175.26 172.91 2q55 n GLU 35 N -4.52 1.71 -3.59 -4.83 4.07 -1.19 -4.53 120.64 107.76 2q55 n GLU 35 Ca 0.08 0.62 -0.16 0.00 -0.06 0.00 0.00 57.16 57.64 2q55 n GLU 35 Cb 0.53 -2.35 -0.07 0.00 -0.06 0.00 0.00 31.44 29.49 2q55 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2q55 s MET 36 N 1.43 0.91 -1.16 5.31 0.23 -1.26 -5.02 119.30 119.74 2q55 s MET 36 Ca 0.84 0.43 -0.07 0.00 -1.03 0.00 0.00 55.69 55.87 2q55 s MET 36 Cb -0.81 0.43 0.25 0.00 -1.53 0.00 0.00 34.83 33.17 2q55 s MET 36 CO 0.45 -0.23 1.56 -1.71 -2.03 0.00 0.00 175.02 173.06 2q55 n ASN 37 N 1.59 5.82 -4.78 -1.18 5.15 -1.26 -5.01 115.26 115.59 2q55 n ASN 37 Ca -0.17 -3.24 -0.35 0.00 -0.60 0.00 0.00 54.58 50.21 2q55 n ASN 37 Cb 0.56 -1.37 -0.01 0.00 -0.53 0.00 0.00 39.78 38.43 2q55 n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2q55 s LEU 38 N -1.47 3.83 0.64 1.20 1.43 -1.26 -5.02 118.68 118.03 2q55 s LEU 38 Ca 0.35 2.09 -0.13 0.00 -1.03 0.00 0.00 54.13 55.41 2q55 s LEU 38 Cb 0.04 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 2q55 s LEU 38 CO 0.05 -1.00 1.05 -2.16 0.23 0.00 0.00 176.35 174.52 2q55 s PRO 39 N -3.17 3.16 0.21 1.29 0.04 -1.26 -4.97 135.00 130.31 2q55 s PRO 39 Ca 0.69 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2q55 s PRO 39 Cb -0.21 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2q55 s PRO 39 CO 0.25 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2q55 n GLY 40 N -1.56 -2.29 3.81 0.56 0.00 -1.26 -4.99 105.19 99.47 2q55 n GLY 40 Ca 0.08 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 2q55 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q55 s LYS 41 N -0.25 3.61 0.17 1.61 0.00 -1.26 -5.07 119.74 118.56 2q55 s LYS 41 Ca 0.00 1.15 -0.16 0.00 0.00 0.00 0.00 55.97 56.96 2q55 s LYS 41 Cb 0.00 -2.08 0.03 0.00 0.00 0.00 0.00 37.83 35.78 2q55 s LYS 41 CO 0.00 -0.57 0.46 1.67 0.00 0.00 0.00 175.35 176.92 2q55 s TRP 42 N -2.42 -0.07 0.04 1.78 1.48 -1.26 -4.50 118.94 113.98 2q55 s TRP 42 Ca 0.63 -0.26 0.06 0.00 -1.06 0.00 0.00 56.10 55.46 2q55 s TRP 42 Cb -0.14 0.30 -0.02 0.00 -1.16 0.00 0.00 33.47 32.45 2q55 s TRP 42 CO 0.32 -0.84 -0.17 0.15 -4.06 0.00 0.00 176.95 172.35 2q55 s LYS 43 N -3.87 1.17 0.49 3.25 -0.14 -0.66 -4.92 119.74 115.07 2q55 s LYS 43 Ca 0.09 -0.83 -0.20 0.00 -1.36 0.00 0.00 55.97 53.66 2q55 s LYS 43 Cb 0.00 -1.23 -0.08 0.00 -1.68 0.00 0.00 37.83 34.84 2q55 s LYS 43 CO -0.05 0.31 1.04 -1.25 -0.76 0.00 0.00 175.35 174.64 2q55 s PRO 44 N -1.11 3.80 0.04 -1.68 0.04 -1.26 -0.27 135.00 134.56 2q55 s PRO 44 Ca 0.05 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 2q55 s PRO 44 Cb -0.08 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.41 2q55 s PRO 44 CO 0.01 -0.43 0.46 0.21 0.04 0.00 0.00 177.00 177.30 2q55 s LYS 45 N -3.24 0.97 -0.10 4.56 2.20 -0.62 -4.89 119.74 118.62 2q55 s LYS 45 Ca 0.67 -0.29 -0.00 0.00 -0.36 0.00 0.00 55.97 55.99 2q55 s LYS 45 Cb -0.16 0.44 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2q55 s LYS 45 CO 0.20 -0.34 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.12 2q55 s MET 46 N -2.43 3.10 0.03 4.03 -1.94 -1.26 -0.71 119.30 120.12 2q55 s MET 46 Ca -0.05 -0.60 0.05 0.00 -1.71 0.00 0.00 55.69 53.38 2q55 s MET 46 Cb -0.01 -2.65 -0.02 0.00 2.01 0.00 0.00 34.83 34.16 2q55 s MET 46 CO -0.02 0.44 -0.16 0.96 -0.01 0.00 0.00 175.02 176.24 2q55 s ILE 47 N -0.22 1.23 -0.17 2.53 -4.36 -0.59 -4.98 121.20 114.64 2q55 s ILE 47 Ca 0.02 -0.96 -0.06 0.00 -0.26 0.00 0.00 60.65 59.40 2q55 s ILE 47 Cb -0.13 -1.09 -0.03 0.00 1.25 0.00 0.00 42.46 42.46 2q55 s ILE 47 CO 0.03 0.11 0.02 -0.83 0.24 0.00 0.00 174.94 174.51 2q55 s GLY 48 N -0.97 1.81 0.00 6.27 0.00 -1.26 -0.98 107.32 112.19 2q55 s GLY 48 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.96 2q55 s GLY 48 CO 0.01 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.74 2q55 n GLY 49 N 3.59 6.80 0.32 0.20 0.00 0.94 -4.98 105.19 112.07 2q55 n GLY 49 Ca -0.17 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2q55 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2q55 h ILE 50 N 0.00 1.05 -0.35 -0.61 6.09 -2.02 -3.05 117.51 118.62 2q55 h ILE 50 Ca 0.00 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 2q55 h ILE 50 Cb 0.00 -0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.27 2q55 h ILE 50 CO 0.00 0.18 0.00 0.61 -3.07 0.00 0.00 178.15 175.87 2q55 n GLY 51 N -1.33 1.65 0.00 8.18 0.00 -1.26 -5.07 105.19 107.36 2q55 n GLY 51 Ca 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2q55 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q55 n GLY 52 N 1.29 0.81 3.72 -0.02 0.00 -1.16 -5.12 105.19 104.71 2q55 n GLY 52 Ca 0.17 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 2q55 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q55 s PHE 53 N -2.87 2.95 0.17 1.61 0.40 -1.26 -0.04 117.98 118.94 2q55 s PHE 53 Ca 0.00 -0.10 0.07 0.00 -0.60 0.00 0.00 56.93 56.30 2q55 s PHE 53 Cb 0.00 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 2q55 s PHE 53 CO 0.00 0.52 -0.14 0.96 0.70 0.00 0.00 175.22 177.26 2q55 s ILE 54 N -1.79 1.59 -0.05 0.64 -4.36 -0.15 -4.97 121.20 112.11 2q55 s ILE 54 Ca 0.29 -2.04 -0.19 0.00 -0.26 0.00 0.00 60.65 58.45 2q55 s ILE 54 Cb -0.09 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.69 2q55 s ILE 54 CO 0.21 -0.54 0.52 -0.54 0.24 0.00 0.00 174.94 174.83 2q55 s LYS 55 N -3.32 4.27 0.24 0.37 1.02 -1.26 -1.54 119.74 119.51 2q55 s LYS 55 Ca 0.18 0.57 0.03 0.00 0.02 0.00 0.00 55.97 56.77 2q55 s LYS 55 Cb -0.02 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 2q55 s LYS 55 CO 0.05 0.32 0.01 0.14 -0.92 0.00 0.00 175.35 174.95 2q55 s VAL 56 N 0.04 1.00 -0.19 3.17 -7.23 0.12 -4.42 120.40 112.89 2q55 s VAL 56 Ca 0.28 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2q55 s VAL 56 Cb -0.17 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2q55 s VAL 56 CO 0.14 -0.28 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.48 2q55 s ARG 57 N -3.88 3.54 -0.30 4.82 0.52 0.45 -1.59 118.95 122.52 2q55 s ARG 57 Ca 0.30 -0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 54.77 2q55 s ARG 57 Cb 0.06 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 2q55 s ARG 57 CO 0.09 0.04 0.46 -1.14 0.02 0.00 0.00 175.30 174.77 2q55 s GLN 58 N 0.88 3.88 -0.12 3.54 0.74 0.63 -0.09 119.66 129.12 2q55 s GLN 58 Ca -0.00 0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.42 2q55 s GLN 58 Cb -0.15 -3.71 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 2q55 s GLN 58 CO 0.01 -0.43 -0.05 0.71 -0.55 0.00 0.00 175.29 174.98 2q55 s TYR 59 N 2.24 2.99 0.10 1.67 1.51 -0.11 -1.65 117.35 124.10 2q55 s TYR 59 Ca 0.18 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2q55 s TYR 59 Cb -0.16 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2q55 s TYR 59 CO 0.11 0.12 0.17 -0.51 -1.11 0.00 0.00 175.55 174.33 2q55 s ASP 60 N -0.15 5.94 -1.23 2.29 1.01 -1.26 -0.76 116.67 122.51 2q55 s ASP 60 Ca 0.02 0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.37 2q55 s ASP 60 Cb -0.13 -1.71 -0.01 0.00 1.01 0.00 0.00 42.92 42.09 2q55 s ASP 60 CO 0.03 0.13 0.85 0.00 0.21 0.00 0.00 175.17 176.39 2q55 n GLN 61 N 0.09 -5.31 -3.59 8.23 1.13 -1.07 -4.91 117.38 111.96 2q55 n GLN 61 Ca -0.07 0.74 -0.37 0.00 -1.94 0.00 0.00 57.00 55.35 2q55 n GLN 61 Cb 0.52 -5.50 -0.10 0.00 0.11 0.00 0.00 30.24 25.28 2q55 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q55 s ILE 62 N -3.50 5.32 0.09 5.09 -1.09 -0.27 -4.76 121.20 122.08 2q55 s ILE 62 Ca 0.05 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 58.44 2q55 s ILE 62 Cb -0.01 -3.55 -0.06 0.00 -1.58 0.00 0.00 42.46 37.26 2q55 s ILE 62 CO 0.77 0.30 1.12 -2.16 -1.23 0.00 0.00 174.94 173.74 2q55 s PRO 63 N 1.33 4.51 -0.01 2.79 0.04 -1.26 -1.84 135.00 140.56 2q55 s PRO 63 Ca 0.09 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.84 2q55 s PRO 63 Cb -0.14 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.05 2q55 s PRO 63 CO 0.07 -0.10 -0.08 0.42 0.04 0.00 0.00 177.00 177.35 2q55 s ILE 64 N 0.59 0.61 -0.21 0.56 1.01 -0.57 -4.52 121.20 118.67 2q55 s ILE 64 Ca 0.54 -0.32 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 2q55 s ILE 64 Cb -0.28 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.65 2q55 s ILE 64 CO 0.31 0.17 -0.00 -1.61 0.00 0.00 0.00 174.94 173.81 2q55 s GLU 65 N -0.14 3.57 -0.24 2.79 8.01 -0.21 -1.21 118.70 131.27 2q55 s GLU 65 Ca 0.02 -0.54 0.03 0.00 0.01 0.00 0.00 54.97 54.49 2q55 s GLU 65 Cb -0.03 -3.08 0.05 0.00 -4.31 0.00 0.00 34.13 26.75 2q55 s GLU 65 CO -0.00 -0.05 -0.13 0.42 0.01 0.00 0.00 175.26 175.50 2q55 s ILE 66 N 1.16 2.15 -1.69 -1.63 1.01 -0.10 -0.29 121.20 121.82 2q55 s ILE 66 Ca 0.03 -1.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.02 2q55 s ILE 66 Cb -0.14 -2.18 0.15 0.00 0.01 0.00 0.00 42.46 40.29 2q55 s ILE 66 CO 0.01 0.10 0.81 0.00 0.00 0.00 0.00 174.94 175.86 2q55 n GLY 68 N -1.43 1.45 3.80 0.00 0.00 -1.26 -5.02 105.19 102.72 2q55 n GLY 68 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2q55 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q55 s HIS 69 N -3.38 3.59 0.16 1.61 4.02 0.16 -5.07 115.29 116.38 2q55 s HIS 69 Ca 0.00 0.74 -0.27 0.00 1.02 0.00 0.00 55.06 56.55 2q55 s HIS 69 Cb 0.00 -2.25 -0.07 0.00 -1.02 0.00 0.00 32.58 29.24 2q55 s HIS 69 CO 0.00 0.49 0.85 0.15 1.02 0.00 0.00 174.74 177.25 2q55 s LYS 70 N -0.41 4.66 0.07 1.40 1.02 -1.26 -0.92 119.74 124.30 2q55 s LYS 70 Ca 0.19 1.29 0.01 0.00 0.02 0.00 0.00 55.97 57.47 2q55 s LYS 70 Cb -0.14 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2q55 s LYS 70 CO 0.08 0.45 -0.05 0.00 -0.92 0.00 0.00 175.35 174.91 2q55 s ALA 71 N -0.79 0.68 -0.17 5.17 0.00 -0.35 -4.68 121.76 121.63 2q55 s ALA 71 Ca 0.40 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.11 2q55 s ALA 71 Cb -0.24 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.14 2q55 s ALA 71 CO 0.28 -0.26 0.39 -1.50 0.00 0.00 0.00 175.76 174.67 2q55 s ILE 72 N -3.31 -0.27 0.00 0.00 2.07 -1.26 -1.51 121.20 116.91 2q55 s ILE 72 Ca 0.05 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 2q55 s ILE 72 Cb 0.03 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2q55 s ILE 72 CO -0.06 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 2q55 n GLY 73 N 4.74 0.84 3.74 1.50 0.00 -0.77 -4.83 105.19 110.41 2q55 n GLY 73 Ca -0.17 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 2q55 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q55 s THR 74 N -1.77 4.02 -0.06 2.61 2.01 -1.26 -1.11 115.64 120.07 2q55 s THR 74 Ca 0.00 1.82 0.02 0.00 0.31 0.00 0.00 61.69 63.84 2q55 s THR 74 Cb 0.00 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.36 2q55 s THR 74 CO 0.00 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 2q55 s VAL 75 N -0.54 0.94 -0.22 3.82 1.01 0.06 -4.44 120.40 121.04 2q55 s VAL 75 Ca 0.46 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2q55 s VAL 75 Cb -0.27 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2q55 s VAL 75 CO 0.34 0.31 0.13 -0.76 0.00 0.00 0.00 175.10 175.12 2q55 s LEU 76 N 0.76 4.04 -0.15 3.92 1.43 0.13 -0.93 118.68 127.87 2q55 s LEU 76 Ca -0.13 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2q55 s LEU 76 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2q55 s LEU 76 CO 0.02 0.11 -0.14 -0.69 0.23 0.00 0.00 176.35 175.88 2q55 s VAL 77 N 0.79 2.82 -0.01 -1.59 1.01 0.87 -0.40 120.40 123.89 2q55 s VAL 77 Ca 0.07 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 2q55 s VAL 77 Cb -0.13 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.09 2q55 s VAL 77 CO 0.02 0.51 0.49 0.61 0.00 0.00 0.00 175.10 176.73 2q55 n GLY 78 N 3.98 0.46 2.56 4.51 0.00 -0.79 -0.41 105.19 115.49 2q55 n GLY 78 Ca -0.19 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 2q55 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q55 n PRO 79 N -0.35 2.97 -3.34 1.61 -0.04 -1.26 -3.14 135.00 131.45 2q55 n PRO 79 Ca 0.02 -2.15 -0.38 0.00 -0.04 0.00 0.00 63.50 60.95 2q55 n PRO 79 Cb 0.22 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 2q55 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q55 s THR 80 N 2.96 4.82 0.27 0.52 -1.32 -1.26 -4.99 115.64 116.64 2q55 s THR 80 Ca 0.57 1.05 0.27 0.00 -1.21 0.00 0.00 61.69 62.37 2q55 s THR 80 Cb 0.15 -3.82 0.29 0.00 -1.51 0.00 0.00 72.50 67.60 2q55 s THR 80 CO -0.05 0.48 1.97 -0.65 -2.21 0.00 0.00 174.62 174.17 2q55 h PRO 81 N 4.32 0.00 -3.94 7.08 0.11 -1.99 -3.42 132.00 134.16 2q55 h PRO 81 Ca -0.50 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 2q55 h PRO 81 Cb 1.21 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 2q55 h PRO 81 CO 0.64 0.15 -0.74 0.08 -0.21 0.00 0.00 178.00 177.92 2q55 s VAL 82 N -3.89 0.17 0.09 3.15 1.01 -1.26 -5.07 120.40 114.60 2q55 s VAL 82 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.60 2q55 s VAL 82 Cb 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.26 2q55 s VAL 82 CO 0.59 0.06 1.16 0.20 0.00 0.00 0.00 175.10 177.11 2q55 s ASN 83 N 0.10 7.15 -0.18 3.32 0.01 -1.26 -4.72 114.94 119.36 2q55 s ASN 83 Ca -0.01 2.01 0.01 0.00 -0.71 0.00 0.00 52.86 54.17 2q55 s ASN 83 Cb -0.03 -2.59 0.02 0.00 0.41 0.00 0.00 41.25 39.07 2q55 s ASN 83 CO -0.00 -0.39 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.37 2q55 s ILE 84 N 0.70 2.06 -0.44 0.60 1.01 0.45 -0.47 121.20 125.11 2q55 s ILE 84 Ca 0.56 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 60.05 2q55 s ILE 84 Cb -0.29 -1.87 0.03 0.00 0.01 0.00 0.00 42.46 40.34 2q55 s ILE 84 CO 0.31 0.52 0.55 -0.63 0.00 0.00 0.00 174.94 175.68 2q55 s ILE 85 N 1.28 4.96 0.71 2.92 -1.09 0.10 -1.18 121.20 128.91 2q55 s ILE 85 Ca 0.04 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 2q55 s ILE 85 Cb -0.13 -4.15 0.11 0.00 -1.58 0.00 0.00 42.46 36.71 2q55 s ILE 85 CO -0.13 -0.56 0.99 -0.83 -1.23 0.00 0.00 174.94 173.18 2q55 s GLY 86 N 2.06 1.77 0.37 6.18 0.00 -1.22 -1.01 107.32 115.47 2q55 s GLY 86 Ca 0.16 -1.52 0.10 0.00 0.00 0.00 0.00 44.72 43.47 2q55 s GLY 86 CO 0.15 -1.00 1.89 3.21 0.00 0.00 0.00 173.10 177.35 2q55 h ARG 87 N -0.55 0.61 -0.85 2.90 3.08 -0.75 -1.56 114.38 117.26 2q55 h ARG 87 Ca -0.39 -0.04 0.20 0.00 0.07 0.00 0.00 59.98 59.83 2q55 h ARG 87 Cb 1.27 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 2q55 h ARG 87 CO 0.44 0.40 0.58 -2.95 -1.07 0.00 0.00 179.97 177.37 2q55 h ASN 88 N 0.63 0.30 0.00 7.04 -1.07 -1.80 -2.32 115.58 118.36 2q55 h ASN 88 Ca 0.42 0.03 -0.31 0.00 0.07 0.00 0.00 56.30 56.51 2q55 h ASN 88 Cb 0.73 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.90 2q55 h ASN 88 CO -0.18 0.13 -2.26 0.18 0.07 0.00 0.00 177.43 175.36 2q55 n LEU 89 N -4.45 0.00 -0.32 6.14 4.77 -0.74 -4.34 117.00 118.05 2q55 n LEU 89 Ca 0.18 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.13 2q55 n LEU 89 Cb 0.71 0.41 0.13 0.00 -2.33 0.00 0.00 43.42 42.35 2q55 n LEU 89 CO 0.33 0.41 1.23 -0.07 -1.33 0.00 0.00 177.39 177.96 2q55 h LEU 90 N 0.00 1.08 -1.13 2.23 3.38 -0.89 -1.60 115.31 118.38 2q55 h LEU 90 Ca -0.46 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 2q55 h LEU 90 Cb 2.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2q55 h LEU 90 CO 0.02 0.83 0.04 0.71 0.09 0.00 0.00 178.44 180.13 2q55 h THR 91 N 1.25 1.21 -0.12 0.22 1.35 -1.65 -0.88 112.91 114.29 2q55 h THR 91 Ca 0.33 -0.82 -0.05 0.00 -0.55 0.00 0.00 66.41 65.31 2q55 h THR 91 Cb -0.06 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2q55 h THR 91 CO -0.06 0.29 -0.16 1.56 -0.25 0.00 0.00 175.52 176.90 2q55 h GLN 92 N 0.62 0.19 -0.32 4.72 4.20 -1.49 -2.71 115.11 120.32 2q55 h GLN 92 Ca 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2q55 h GLN 92 Cb 0.34 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2q55 h GLN 92 CO 0.01 0.35 0.00 0.44 -0.67 0.00 0.00 178.83 178.96 2q55 n ILE 93 N -4.26 0.40 -0.63 2.54 -5.35 -1.07 -4.94 119.36 106.06 2q55 n ILE 93 Ca -0.01 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 2q55 n ILE 93 Cb 0.28 0.85 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 2q55 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q55 n GLY 94 N 1.40 0.85 3.72 3.28 0.00 -1.02 -5.04 105.19 108.38 2q55 n GLY 94 Ca 0.18 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2q55 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q55 s THR 96 N 0.77 1.36 -0.04 0.00 -4.23 -1.26 -4.64 115.64 107.60 2q55 s THR 96 Ca 0.43 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.72 2q55 s THR 96 Cb -0.19 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 2q55 s THR 96 CO 0.22 -0.67 0.37 -0.76 -0.54 0.00 0.00 174.62 173.24 2q55 s LEU 97 N -3.15 4.42 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.80 2q55 s LEU 97 Ca 0.18 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2q55 s LEU 97 Cb 0.01 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.74 2q55 s LEU 97 CO 0.03 0.29 0.02 0.20 0.23 0.00 0.00 176.35 177.11 2q55 s ASN 98 N -0.77 0.16 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.19 2q55 s ASN 98 Ca 0.22 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.53 2q55 s ASN 98 Cb -0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 40.98 2q55 s ASN 98 CO 0.11 -0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.76