#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 4.17 -0.16 0.54 0.74 -1.26 -5.09 119.66 118.60 2q55 s GLN 2 Ca 0.00 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.23 2q55 s GLN 2 Cb 0.00 -3.41 0.02 0.00 1.10 0.00 0.00 33.01 30.72 2q55 s GLN 2 CO 0.00 0.31 -0.19 0.42 -0.55 0.00 0.00 175.29 175.28 2q55 s ILE 3 N 0.31 1.92 0.69 -2.34 1.01 -1.26 -5.13 121.20 116.41 2q55 s ILE 3 Ca 0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2q55 s ILE 3 Cb -0.11 -1.73 0.06 0.00 0.01 0.00 0.00 42.46 40.69 2q55 s ILE 3 CO -0.01 0.52 0.99 0.42 0.00 0.00 0.00 174.94 176.86 2q55 s THR 4 N 1.15 2.30 -0.11 2.92 -4.23 -1.26 -5.04 115.64 111.38 2q55 s THR 4 Ca 0.00 -0.32 0.16 0.00 -1.18 0.00 0.00 61.69 60.36 2q55 s THR 4 Cb -0.14 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.96 2q55 s THR 4 CO -0.08 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.30 2q55 n LEU 5 N -2.87 2.14 0.25 4.79 4.77 -1.26 -4.49 117.00 120.33 2q55 n LEU 5 Ca 0.08 -2.85 0.13 0.00 -0.03 0.00 0.00 56.01 53.35 2q55 n LEU 5 Cb 0.60 -0.37 0.57 0.00 -2.33 0.00 0.00 43.42 41.90 2q55 n LEU 5 CO 0.51 0.66 0.90 -0.50 -1.33 0.00 0.00 177.39 177.63 2q55 h TRP 6 N 0.00 0.00 -2.17 -1.77 6.55 -2.07 -3.43 115.95 113.06 2q55 h TRP 6 Ca 0.00 0.00 -0.60 0.00 0.95 0.00 0.00 58.89 59.24 2q55 h TRP 6 Cb 1.00 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.16 2q55 h TRP 6 CO 0.01 0.12 -0.73 0.15 -1.05 0.00 0.00 178.44 176.93 2q55 s LYS 7 N -3.69 1.70 0.24 0.49 -0.14 -1.26 -5.11 119.74 111.98 2q55 s LYS 7 Ca 0.01 -1.82 -0.31 0.00 -1.36 0.00 0.00 55.97 52.49 2q55 s LYS 7 Cb 0.10 -1.71 -0.13 0.00 -1.68 0.00 0.00 37.83 34.41 2q55 s LYS 7 CO 0.59 0.26 1.53 0.54 -0.76 0.00 0.00 175.35 177.51 2q55 n ARG 8 N -0.66 2.35 -1.34 1.68 1.74 -1.26 -4.84 116.66 114.32 2q55 n ARG 8 Ca -0.05 0.84 -0.40 0.00 -0.77 0.00 0.00 57.85 57.47 2q55 n ARG 8 Cb 0.61 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 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 2.49 2.34 -3.21 5.56 -0.04 -1.26 -4.90 135.00 135.98 2q55 n PRO 9 Ca 0.12 -2.13 -0.39 0.00 -0.04 0.00 0.00 63.50 61.06 2q55 n PRO 9 Cb 0.33 -2.99 -0.05 0.00 -0.04 0.00 0.00 33.50 30.74 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 1.33 4.33 0.11 1.53 1.43 -1.26 -1.44 118.68 124.71 2q55 s LEU 10 Ca 0.52 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2q55 s LEU 10 Cb 0.14 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2q55 s LEU 10 CO -0.00 -0.00 -0.09 0.68 0.23 0.00 0.00 176.35 177.17 2q55 s VAL 11 N 0.43 0.91 0.06 -1.59 -7.23 -0.02 -4.92 120.40 108.04 2q55 s VAL 11 Ca 0.31 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.30 2q55 s VAL 11 Cb -0.17 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2q55 s VAL 11 CO 0.15 -0.74 1.00 -0.89 -0.31 0.00 0.00 175.10 174.31 2q55 s THR 12 N -3.17 4.58 0.18 5.32 2.01 -1.26 -0.61 115.64 122.69 2q55 s THR 12 Ca 0.11 1.98 0.11 0.00 0.31 0.00 0.00 61.69 64.20 2q55 s THR 12 Cb 0.02 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2q55 s THR 12 CO -0.02 0.22 -0.20 0.27 -0.69 0.00 0.00 174.62 174.21 2q55 s ILE 13 N 0.55 2.60 -0.18 1.82 -4.36 0.34 -2.53 121.20 119.44 2q55 s ILE 13 Ca 0.51 -1.87 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 2q55 s ILE 13 Cb -0.23 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.22 2q55 s ILE 13 CO 0.29 -0.08 -0.11 -0.60 0.24 0.00 0.00 174.94 174.69 2q55 s ARG 14 N -2.62 3.29 -0.08 0.37 3.52 -0.29 -1.71 118.95 121.43 2q55 s ARG 14 Ca 0.21 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 55.08 2q55 s ARG 14 Cb -0.09 -2.78 0.05 0.00 -1.56 0.00 0.00 34.95 30.57 2q55 s ARG 14 CO 0.11 -0.06 0.16 -1.50 -0.81 0.00 0.00 175.30 173.20 2q55 s ILE 15 N 1.06 -0.21 -1.47 4.11 2.07 -0.27 -1.64 121.20 124.86 2q55 s ILE 15 Ca -0.00 0.30 -0.07 0.00 -1.41 0.00 0.00 60.65 59.47 2q55 s ILE 15 Cb -0.15 -0.29 0.03 0.00 0.13 0.00 0.00 42.46 42.19 2q55 s ILE 15 CO -0.02 0.13 0.63 0.61 -1.91 0.00 0.00 174.94 174.37 2q55 n GLY 16 N 5.01 -0.51 2.95 1.50 0.00 -1.26 -0.98 105.19 111.89 2q55 n GLY 16 Ca -0.11 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.47 0.59 3.77 -0.02 0.00 -1.26 -5.01 105.19 101.80 2q55 n GLY 17 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.38 3.10 -0.19 1.61 -1.52 -0.15 -5.10 119.66 117.03 2q55 s GLN 18 Ca 0.00 -0.41 -0.10 0.00 -1.95 0.00 0.00 55.36 52.90 2q55 s GLN 18 Cb 0.00 -2.89 -0.05 0.00 -0.22 0.00 0.00 33.01 29.85 2q55 s GLN 18 CO 0.00 0.68 0.14 -0.51 -0.25 0.00 0.00 175.29 175.35 2q55 s LEU 19 N -1.41 4.23 0.08 2.90 1.43 -1.26 -1.12 118.68 123.53 2q55 s LEU 19 Ca 0.19 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 2q55 s LEU 19 Cb -0.12 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2q55 s LEU 19 CO 0.09 0.20 -0.06 -0.54 0.23 0.00 0.00 176.35 176.27 2q55 s LYS 20 N 0.23 0.75 -0.13 1.70 1.02 -0.69 -4.98 119.74 117.64 2q55 s LYS 20 Ca 0.09 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.75 2q55 s LYS 20 Cb -0.11 -0.18 -0.05 0.00 -0.52 0.00 0.00 37.83 36.97 2q55 s LYS 20 CO -0.01 -0.02 0.24 -1.21 -0.92 0.00 0.00 175.35 173.43 2q55 s GLU 21 N -3.43 3.94 0.01 1.68 0.41 -1.26 -0.50 118.70 119.56 2q55 s GLU 21 Ca 0.07 0.02 -0.03 0.00 -0.41 0.00 0.00 54.97 54.63 2q55 s GLU 21 Cb 0.03 -3.32 -0.01 0.00 -1.78 0.00 0.00 34.13 29.04 2q55 s GLU 21 CO -0.04 0.49 0.03 0.00 -0.49 0.00 0.00 175.26 175.24 2q55 s ALA 22 N -0.26 -0.03 -0.20 5.21 0.00 0.22 -4.54 121.76 122.17 2q55 s ALA 22 Ca 0.16 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 2q55 s ALA 22 Cb -0.13 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2q55 s ALA 22 CO 0.04 -0.18 0.54 -1.17 0.00 0.00 0.00 175.76 174.99 2q55 s LEU 23 N -1.46 4.15 -0.47 0.00 2.96 0.09 -0.84 118.68 123.11 2q55 s LEU 23 Ca -0.15 0.71 -0.29 0.00 -0.22 0.00 0.00 54.13 54.18 2q55 s LEU 23 Cb -0.09 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.88 2q55 s LEU 23 CO -0.00 -0.19 1.22 -0.76 -1.32 0.00 0.00 176.35 175.30 2q55 s LEU 24 N 1.64 3.60 -0.35 -0.68 1.43 -0.52 -0.32 118.68 123.48 2q55 s LEU 24 Ca 0.25 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.90 2q55 s LEU 24 Cb -0.15 -3.52 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2q55 s LEU 24 CO 0.10 -1.33 0.11 -0.62 0.23 0.00 0.00 176.35 174.83 2q55 s ASP 25 N 2.94 4.27 0.51 2.29 2.15 -0.55 -4.78 116.67 123.49 2q55 s ASP 25 Ca 0.51 -2.01 0.33 0.00 0.43 0.00 0.00 52.55 51.81 2q55 s ASP 25 Cb -0.09 -1.20 1.37 0.00 -0.30 0.00 0.00 42.92 42.71 2q55 s ASP 25 CO 0.32 -0.38 1.96 0.71 -0.17 0.00 0.00 175.17 177.61 2q55 h THR 26 N 6.34 0.00 -0.19 1.71 1.35 -1.93 -2.29 112.91 117.90 2q55 h THR 26 Ca -0.08 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2q55 h THR 26 Cb 1.00 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2q55 h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2q55 n GLY 27 N -0.05 -0.07 3.25 5.82 0.00 -1.26 -4.79 105.19 108.08 2q55 n GLY 27 Ca 0.01 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.74 2.48 0.25 4.61 0.00 -0.86 -4.99 121.76 121.51 2q55 s ALA 28 Ca 0.13 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 2q55 s ALA 28 Cb 0.07 -1.22 0.30 0.00 0.00 0.00 0.00 23.12 22.26 2q55 s ALA 28 CO 0.09 -0.07 1.66 -0.44 0.00 0.00 0.00 175.76 177.00 2q55 h ASP 29 N 7.37 0.61 -2.54 0.00 3.32 -1.86 0.12 116.42 123.44 2q55 h ASP 29 Ca -0.34 -0.22 -0.62 0.00 0.02 0.00 0.00 57.03 55.87 2q55 h ASP 29 Cb 1.19 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 2q55 h ASP 29 CO 0.57 0.86 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.36 2q55 s ASP 30 N -6.80 3.52 -0.22 6.45 1.01 -1.26 -3.01 116.67 116.36 2q55 s ASP 30 Ca -0.08 -0.98 -0.13 0.00 0.71 0.00 0.00 52.55 52.07 2q55 s ASP 30 Cb 0.13 -0.28 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 2q55 s ASP 30 CO 0.81 0.06 0.28 -0.89 0.21 0.00 0.00 175.17 175.65 2q55 s THR 31 N -2.25 5.27 -0.09 -1.27 2.01 -1.26 -3.31 115.64 114.75 2q55 s THR 31 Ca 0.27 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 2q55 s THR 31 Cb -0.06 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 68.86 2q55 s THR 31 CO 0.13 0.29 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.64 2q55 s VAL 32 N 1.23 0.60 0.12 3.82 1.01 -0.41 -0.71 120.40 126.05 2q55 s VAL 32 Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2q55 s VAL 32 Cb -0.14 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2q55 s VAL 32 CO 0.06 0.30 -0.04 -0.76 0.00 0.00 0.00 175.10 174.66 2q55 s LEU 33 N 1.88 3.27 0.83 3.92 1.43 0.11 -0.59 118.68 129.53 2q55 s LEU 33 Ca 0.05 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2q55 s LEU 33 Cb -0.12 -2.00 0.10 0.00 0.03 0.00 0.00 46.19 44.19 2q55 s LEU 33 CO -0.06 0.15 1.18 -1.61 0.23 0.00 0.00 176.35 176.24 2q55 s GLU 34 N -2.44 1.52 -0.11 1.70 2.02 -1.26 -1.43 118.70 118.69 2q55 s GLU 34 Ca 0.25 1.66 -0.40 0.00 0.02 0.00 0.00 54.97 56.49 2q55 s GLU 34 Cb -0.11 -1.77 -0.18 0.00 0.10 0.00 0.00 34.13 32.16 2q55 s GLU 34 CO 0.17 -2.28 1.35 0.39 0.02 0.00 0.00 175.26 174.91 2q55 n GLU 35 N -3.55 0.49 -3.86 1.61 -0.58 -1.21 -4.58 120.64 108.97 2q55 n GLU 35 Ca 0.13 0.18 -0.07 0.00 -0.42 0.00 0.00 57.16 56.97 2q55 n GLU 35 Cb 0.51 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 29.62 2q55 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q55 s MET 36 N 1.24 1.85 -0.19 3.49 0.23 -1.26 -5.03 119.30 119.63 2q55 s MET 36 Ca 0.93 -1.06 -0.12 0.00 -1.03 0.00 0.00 55.69 54.41 2q55 s MET 36 Cb -1.20 0.61 -0.05 0.00 -1.53 0.00 0.00 34.83 32.66 2q55 s MET 36 CO 0.60 -0.85 0.23 -0.80 -2.03 0.00 0.00 175.02 172.17 2q55 s ASN 37 N -2.94 6.30 0.05 -1.18 0.02 -1.26 -5.03 114.94 110.89 2q55 s ASN 37 Ca 0.12 0.34 0.06 0.00 -1.02 0.00 0.00 52.86 52.36 2q55 s ASN 37 Cb -0.06 -2.14 -0.03 0.00 0.02 0.00 0.00 41.25 39.04 2q55 s ASN 37 CO 0.08 0.10 -0.17 -0.76 0.02 0.00 0.00 177.10 176.36 2q55 s LEU 38 N 0.65 2.19 0.75 0.60 1.43 -1.26 -5.09 118.68 117.96 2q55 s LEU 38 Ca 0.12 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2q55 s LEU 38 Cb -0.13 -0.76 0.04 0.00 0.03 0.00 0.00 46.19 45.37 2q55 s LEU 38 CO 0.02 0.07 1.08 -2.84 0.23 0.00 0.00 176.35 174.92 2q55 s PRO 39 N -1.29 2.46 0.00 1.29 0.02 -1.26 -4.97 135.00 131.25 2q55 s PRO 39 Ca 0.04 0.76 0.00 0.00 0.02 0.00 0.00 61.00 61.82 2q55 s PRO 39 Cb -0.09 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2q55 s PRO 39 CO 0.02 -1.38 0.00 0.41 -0.33 0.00 0.00 177.00 175.72 2q55 n GLY 40 N -2.09 1.11 3.77 0.52 0.00 -1.26 -4.96 105.19 102.27 2q55 n GLY 40 Ca 0.07 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 2q55 n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q55 s LYS 41 N -1.74 4.56 0.28 1.61 3.01 -1.26 -5.06 119.74 121.14 2q55 s LYS 41 Ca 0.00 1.56 0.10 0.00 -1.01 0.00 0.00 55.97 56.62 2q55 s LYS 41 Cb 0.00 -2.96 -0.05 0.00 -1.01 0.00 0.00 37.83 33.80 2q55 s LYS 41 CO 0.00 0.20 -0.14 1.67 0.51 0.00 0.00 175.35 177.59 2q55 s TRP 42 N -1.39 2.15 -0.13 3.18 1.48 -1.26 -4.66 118.94 118.32 2q55 s TRP 42 Ca 0.48 -0.48 -0.00 0.00 -1.06 0.00 0.00 56.10 55.04 2q55 s TRP 42 Cb -0.25 -1.07 -0.02 0.00 -1.16 0.00 0.00 33.47 30.97 2q55 s TRP 42 CO 0.32 0.55 -0.12 -1.59 -4.06 0.00 0.00 176.95 172.04 2q55 s LYS 43 N -3.60 3.35 0.32 3.25 0.00 -0.48 -4.88 119.74 117.70 2q55 s LYS 43 Ca 0.29 -0.67 -0.29 0.00 0.00 0.00 0.00 55.97 55.30 2q55 s LYS 43 Cb -0.01 -2.64 -0.11 0.00 0.00 0.00 0.00 37.83 35.08 2q55 s LYS 43 CO 0.13 0.25 1.49 -2.14 0.00 0.00 0.00 175.35 175.08 2q55 s PRO 44 N 0.27 4.17 0.03 1.78 0.02 -1.26 -0.20 135.00 139.80 2q55 s PRO 44 Ca -0.09 2.48 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 2q55 s PRO 44 Cb -0.15 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2q55 s PRO 44 CO 0.05 -0.50 0.19 0.21 -0.33 0.00 0.00 177.00 176.62 2q55 s LYS 45 N -1.21 0.65 -0.04 5.54 2.20 -0.48 -4.89 119.74 121.52 2q55 s LYS 45 Ca 0.57 -0.56 0.07 0.00 -0.36 0.00 0.00 55.97 55.68 2q55 s LYS 45 Cb -0.45 0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 36.13 2q55 s LYS 45 CO 0.53 -0.18 -0.25 -1.64 -0.36 0.00 0.00 175.35 173.45 2q55 s MET 46 N -2.28 2.35 0.05 4.03 -1.94 -1.26 -0.32 119.30 119.93 2q55 s MET 46 Ca -0.07 -0.89 0.06 0.00 -1.71 0.00 0.00 55.69 53.08 2q55 s MET 46 Cb -0.02 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.71 2q55 s MET 46 CO -0.02 0.43 -0.17 0.96 -0.01 0.00 0.00 175.02 176.20 2q55 s ILE 47 N -0.29 1.39 -0.06 2.53 -4.36 -0.70 -4.98 121.20 114.73 2q55 s ILE 47 Ca 0.01 -1.18 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 2q55 s ILE 47 Cb -0.12 -1.24 0.01 0.00 1.25 0.00 0.00 42.46 42.35 2q55 s ILE 47 CO 0.02 0.03 -0.12 -0.83 0.24 0.00 0.00 174.94 174.28 2q55 s GLY 48 N -1.34 0.79 0.00 6.27 0.00 -1.26 -0.71 107.32 111.07 2q55 s GLY 48 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2q55 s GLY 48 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.79 2q55 n GLY 49 N 3.72 5.56 3.71 0.20 0.00 -0.33 -4.96 105.19 113.09 2q55 n GLY 49 Ca -0.22 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2q55 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q55 s ILE 50 N 1.54 2.71 0.00 -0.61 1.01 -1.26 -1.95 121.20 122.64 2q55 s ILE 50 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2q55 s ILE 50 Cb 0.00 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2q55 s ILE 50 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2q55 n GLY 51 N 3.87 0.97 0.00 6.18 0.00 -1.26 -4.95 105.19 110.00 2q55 n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.00 0.33 3.75 -0.02 0.00 -0.82 -5.06 105.19 101.37 2q55 n GLY 52 Ca 0.00 -2.25 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 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 0.00 3.23 0.20 1.61 0.40 -1.26 -1.19 117.98 120.96 2q55 s PHE 53 Ca 0.00 0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 2q55 s PHE 53 Cb 0.00 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.76 2q55 s PHE 53 CO 0.00 0.53 -0.10 0.96 0.70 0.00 0.00 175.22 177.30 2q55 s ILE 54 N -1.15 1.45 -0.12 0.64 -4.36 0.11 -4.98 121.20 112.79 2q55 s ILE 54 Ca 0.21 -2.13 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 2q55 s ILE 54 Cb -0.12 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2q55 s ILE 54 CO 0.12 -0.58 0.27 -0.54 0.24 0.00 0.00 174.94 174.45 2q55 s LYS 55 N -3.72 4.00 0.26 0.37 1.02 -1.26 -1.71 119.74 118.70 2q55 s LYS 55 Ca 0.22 0.08 0.03 0.00 0.02 0.00 0.00 55.97 56.32 2q55 s LYS 55 Cb 0.02 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2q55 s LYS 55 CO 0.05 0.46 0.04 0.14 -0.92 0.00 0.00 175.35 175.12 2q55 s VAL 56 N -0.19 0.92 -0.19 3.17 -7.23 0.56 -4.46 120.40 112.99 2q55 s VAL 56 Ca 0.17 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2q55 s VAL 56 Cb -0.13 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2q55 s VAL 56 CO 0.05 -0.16 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.54 2q55 s ARG 57 N -3.92 3.63 -0.28 4.82 0.52 0.28 -1.38 118.95 122.62 2q55 s ARG 57 Ca 0.33 -0.52 -0.15 0.00 -0.52 0.00 0.00 55.73 54.87 2q55 s ARG 57 Cb 0.07 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.47 2q55 s ARG 57 CO 0.12 0.07 0.37 -1.14 0.02 0.00 0.00 175.30 174.74 2q55 s GLN 58 N 0.84 3.94 -0.15 3.54 0.74 0.71 -0.79 119.66 128.50 2q55 s GLN 58 Ca 0.00 -0.03 -0.04 0.00 0.05 0.00 0.00 55.36 55.34 2q55 s GLN 58 Cb -0.14 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2q55 s GLN 58 CO 0.02 -0.32 -0.01 0.71 -0.55 0.00 0.00 175.29 175.13 2q55 s TYR 59 N 2.07 3.09 0.13 1.67 1.51 -0.04 -1.38 117.35 124.39 2q55 s TYR 59 Ca 0.15 -0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 2q55 s TYR 59 Cb -0.16 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2q55 s TYR 59 CO 0.10 0.09 0.21 -0.51 -1.11 0.00 0.00 175.55 174.33 2q55 s ASP 60 N 0.15 6.02 -1.35 2.29 1.01 -1.26 -0.64 116.67 122.89 2q55 s ASP 60 Ca 0.00 0.08 -0.02 0.00 0.71 0.00 0.00 52.55 53.32 2q55 s ASP 60 Cb -0.13 -1.74 0.01 0.00 1.01 0.00 0.00 42.92 42.07 2q55 s ASP 60 CO 0.02 0.09 0.72 0.00 0.21 0.00 0.00 175.17 176.21 2q55 n GLN 61 N -0.23 -4.88 -3.51 8.23 1.13 -1.11 -4.92 117.38 112.08 2q55 n GLN 61 Ca -0.07 0.60 -0.38 0.00 -1.94 0.00 0.00 57.00 55.21 2q55 n GLN 61 Cb 0.53 -5.17 -0.09 0.00 0.11 0.00 0.00 30.24 25.62 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 -3.64 5.27 0.10 5.09 -1.09 0.01 -4.70 121.20 122.23 2q55 s ILE 62 Ca 0.09 0.44 -0.31 0.00 -2.23 0.00 0.00 60.65 58.64 2q55 s ILE 62 Cb -0.05 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.15 2q55 s ILE 62 CO 0.82 0.28 1.22 -2.84 -1.23 0.00 0.00 174.94 173.19 2q55 s PRO 63 N 1.35 4.43 -0.03 2.79 0.02 -1.26 -1.61 135.00 140.69 2q55 s PRO 63 Ca 0.13 1.83 0.03 0.00 0.02 0.00 0.00 61.00 63.01 2q55 s PRO 63 Cb -0.14 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2q55 s PRO 63 CO 0.07 -0.24 -0.11 0.42 -0.33 0.00 0.00 177.00 176.81 2q55 s ILE 64 N 0.78 0.96 -0.33 2.83 1.01 -0.32 -4.50 121.20 121.63 2q55 s ILE 64 Ca 0.58 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 2q55 s ILE 64 Cb -0.31 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 2q55 s ILE 64 CO 0.31 0.29 0.21 -0.70 0.00 0.00 0.00 174.94 175.05 2q55 s GLU 65 N 0.22 3.36 -0.37 2.79 2.12 -0.65 -0.44 118.70 125.72 2q55 s GLU 65 Ca -0.04 -0.72 -0.08 0.00 0.36 0.00 0.00 54.97 54.48 2q55 s GLU 65 Cb -0.10 -3.71 0.05 0.00 0.26 0.00 0.00 34.13 30.63 2q55 s GLU 65 CO 0.01 -0.47 0.17 0.42 -0.54 0.00 0.00 175.26 174.86 2q55 s ILE 66 N 1.66 4.08 -1.46 -3.70 1.01 0.18 -1.14 121.20 121.84 2q55 s ILE 66 Ca 0.05 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 2q55 s ILE 66 Cb -0.17 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 38.97 2q55 s ILE 66 CO 0.08 -0.30 0.86 0.00 0.00 0.00 0.00 174.94 175.58 2q55 n GLY 68 N -1.66 1.56 3.62 0.00 0.00 -1.26 -5.02 105.19 102.44 2q55 n GLY 68 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.96 3.24 0.07 1.61 4.02 0.02 -5.07 115.29 116.23 2q55 s HIS 69 Ca 0.00 0.05 -0.25 0.00 1.02 0.00 0.00 55.06 55.88 2q55 s HIS 69 Cb 0.00 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.58 29.42 2q55 s HIS 69 CO 0.00 0.13 0.76 0.15 1.02 0.00 0.00 174.74 176.80 2q55 s LYS 70 N 0.43 4.50 0.09 1.40 1.02 -1.26 0.48 119.74 126.40 2q55 s LYS 70 Ca 0.03 1.07 0.04 0.00 0.02 0.00 0.00 55.97 57.13 2q55 s LYS 70 Cb -0.13 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 2q55 s LYS 70 CO 0.00 0.36 -0.11 0.00 -0.92 0.00 0.00 175.35 174.68 2q55 s ALA 71 N -0.33 1.14 -0.11 5.17 0.00 0.41 -4.65 121.76 123.39 2q55 s ALA 71 Ca 0.37 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2q55 s ALA 71 Cb -0.21 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.95 2q55 s ALA 71 CO 0.23 0.02 0.08 0.42 0.00 0.00 0.00 175.76 176.51 2q55 s ILE 72 N -2.13 -0.10 0.00 0.00 1.01 -1.26 -1.17 121.20 117.54 2q55 s ILE 72 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2q55 s ILE 72 Cb -0.05 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 42.05 2q55 s ILE 72 CO 0.01 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.49 2q55 n GLY 73 N 5.29 1.39 3.71 6.18 0.00 -0.63 -4.79 105.19 116.34 2q55 n GLY 73 Ca -0.05 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.47 4.78 -0.11 2.61 2.01 -1.26 -0.81 115.64 120.40 2q55 s THR 74 Ca 0.00 2.05 0.01 0.00 0.31 0.00 0.00 61.69 64.06 2q55 s THR 74 Cb 0.00 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.21 2q55 s THR 74 CO 0.00 0.20 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.33 2q55 s VAL 75 N 0.76 1.24 0.04 3.82 1.01 0.19 -4.45 120.40 123.00 2q55 s VAL 75 Ca 0.51 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2q55 s VAL 75 Cb -0.22 -1.18 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 2q55 s VAL 75 CO 0.28 0.40 0.47 -0.76 0.00 0.00 0.00 175.10 175.48 2q55 s LEU 76 N 1.28 4.48 -0.08 3.92 1.43 0.11 -0.86 118.68 128.95 2q55 s LEU 76 Ca -0.02 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.16 2q55 s LEU 76 Cb -0.14 -2.75 0.01 0.00 0.03 0.00 0.00 46.19 43.34 2q55 s LEU 76 CO -0.05 0.29 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 2q55 s VAL 77 N -1.13 1.52 -1.71 -1.59 1.01 0.03 0.06 120.40 118.59 2q55 s VAL 77 Ca 0.27 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2q55 s VAL 77 Cb -0.17 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2q55 s VAL 77 CO 0.16 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2q55 n GLY 78 N 3.70 -1.34 2.00 4.51 0.00 -0.52 -0.55 105.19 113.00 2q55 n GLY 78 Ca -0.21 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.04 1.40 -2.18 1.61 -0.04 -1.26 -3.28 135.00 131.20 2q55 n PRO 79 Ca 0.00 -0.62 -0.39 0.00 -0.04 0.00 0.00 63.50 62.45 2q55 n PRO 79 Cb 0.00 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 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 1.23 2.90 0.34 0.52 -1.32 -1.26 -4.93 115.64 113.12 2q55 s THR 80 Ca 0.41 0.80 0.31 0.00 -1.21 0.00 0.00 61.69 62.00 2q55 s THR 80 Cb 0.20 -3.46 0.33 0.00 -1.51 0.00 0.00 72.50 68.06 2q55 s THR 80 CO 0.00 0.11 2.06 -0.65 -2.21 0.00 0.00 174.62 173.93 2q55 h PRO 81 N 2.78 0.00 -2.98 7.08 0.11 -1.98 -3.44 132.00 133.57 2q55 h PRO 81 Ca -0.49 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 2q55 h PRO 81 Cb 1.24 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.13 2q55 h PRO 81 CO 0.63 0.09 -0.29 0.54 -0.21 0.00 0.00 178.00 178.76 2q55 s VAL 82 N -3.99 0.04 0.11 3.15 0.11 -1.26 -5.08 120.40 113.48 2q55 s VAL 82 Ca -0.02 -0.30 -0.31 0.00 -2.93 0.00 0.00 61.98 58.42 2q55 s VAL 82 Cb 0.12 -0.57 -0.09 0.00 -1.53 0.00 0.00 36.38 34.31 2q55 s VAL 82 CO 0.55 -0.17 1.65 0.20 -3.33 0.00 0.00 175.10 174.01 2q55 s ASN 83 N -0.78 6.57 -0.10 3.54 0.01 -1.26 -4.68 114.94 118.24 2q55 s ASN 83 Ca -0.09 2.57 0.02 0.00 -0.71 0.00 0.00 52.86 54.65 2q55 s ASN 83 Cb -0.04 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2q55 s ASN 83 CO 0.03 -0.88 -0.14 -0.63 -1.51 0.00 0.00 177.10 173.97 2q55 s ILE 84 N 2.12 1.40 -0.34 0.60 1.01 0.24 -0.73 121.20 125.51 2q55 s ILE 84 Ca 0.73 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.65 2q55 s ILE 84 Cb -0.42 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2q55 s ILE 84 CO 0.32 0.42 0.37 -0.63 0.00 0.00 0.00 174.94 175.42 2q55 s ILE 85 N 1.01 5.16 0.24 2.92 -1.09 0.56 -1.28 121.20 128.73 2q55 s ILE 85 Ca -0.07 0.06 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2q55 s ILE 85 Cb -0.15 -3.83 0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2q55 s ILE 85 CO -0.02 -0.10 0.34 0.61 -1.23 0.00 0.00 174.94 174.54 2q55 n GLY 86 N 4.95 1.84 0.26 6.18 0.00 -1.21 -1.49 105.19 115.72 2q55 n GLY 86 Ca -0.09 -2.15 0.04 0.00 0.00 0.00 0.00 46.02 43.82 2q55 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q55 h ARG 87 N 0.00 0.24 -0.74 1.61 3.08 -0.79 -0.65 114.38 117.13 2q55 h ARG 87 Ca -0.11 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.02 2q55 h ARG 87 Cb 0.51 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2q55 h ARG 87 CO 0.16 0.27 0.49 -2.95 -1.07 0.00 0.00 179.97 176.87 2q55 h ASN 88 N 0.24 0.49 0.05 7.04 -1.07 -1.80 -1.41 115.58 119.12 2q55 h ASN 88 Ca 0.06 0.02 -0.28 0.00 0.07 0.00 0.00 56.30 56.16 2q55 h ASN 88 Cb 0.18 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.29 2q55 h ASN 88 CO 0.00 0.28 -2.24 0.18 0.07 0.00 0.00 177.43 175.72 2q55 n LEU 89 N -4.49 0.07 -0.34 6.14 4.77 -0.84 -4.14 117.00 118.18 2q55 n LEU 89 Ca 0.13 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2q55 n LEU 89 Cb 0.42 0.37 0.09 0.00 -2.33 0.00 0.00 43.42 41.97 2q55 n LEU 89 CO 0.33 0.38 1.23 -0.07 -1.33 0.00 0.00 177.39 177.92 2q55 h LEU 90 N 0.00 1.07 -1.31 2.23 3.38 -0.85 -1.71 115.31 118.11 2q55 h LEU 90 Ca -0.41 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2q55 h LEU 90 Cb 1.96 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 2q55 h LEU 90 CO 0.03 0.81 0.37 0.71 0.09 0.00 0.00 178.44 180.44 2q55 h THR 91 N 1.24 1.18 -0.29 0.22 1.35 -1.46 -1.26 112.91 113.89 2q55 h THR 91 Ca 0.33 -0.39 -0.09 0.00 -0.55 0.00 0.00 66.41 65.70 2q55 h THR 91 Cb -0.08 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 66.63 2q55 h THR 91 CO -0.06 0.19 -0.19 1.56 -0.25 0.00 0.00 175.52 176.76 2q55 h GLN 92 N 0.85 0.53 -0.44 4.72 4.20 -1.48 -2.48 115.11 121.01 2q55 h GLN 92 Ca 0.22 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2q55 h GLN 92 Cb -0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2q55 h GLN 92 CO -0.04 0.69 0.00 0.44 -0.67 0.00 0.00 178.83 179.25 2q55 n ILE 93 N -4.15 0.62 -1.88 2.54 -5.35 -1.04 -4.93 119.36 105.16 2q55 n ILE 93 Ca 0.00 -0.57 -0.07 0.00 -0.27 0.00 0.00 62.75 61.85 2q55 n ILE 93 Cb 0.37 0.23 -0.01 0.00 -1.74 0.00 0.00 39.64 38.50 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 1.10 0.30 3.72 3.28 0.00 -0.94 -5.00 105.19 107.66 2q55 n GLY 94 Ca 0.14 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 0.57 1.10 -0.06 0.00 -4.23 -1.26 -4.66 115.64 107.10 2q55 s THR 96 Ca 0.51 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.83 2q55 s THR 96 Cb -0.24 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2q55 s THR 96 CO 0.30 -0.76 0.41 -0.76 -0.54 0.00 0.00 174.62 173.27 2q55 s LEU 97 N -3.13 4.38 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.80 2q55 s LEU 97 Ca 0.16 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.13 2q55 s LEU 97 Cb 0.03 -2.59 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 2q55 s LEU 97 CO -0.00 0.20 -0.06 0.20 0.23 0.00 0.00 176.35 176.91 2q55 s ASN 98 N -0.36 0.74 0.00 2.29 0.01 -1.26 -5.30 114.94 111.07 2q55 s ASN 98 Ca 0.23 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 2q55 s ASN 98 Cb -0.16 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.41 2q55 s ASN 98 CO 0.11 0.07 0.00 2.22 -1.51 0.00 0.00 177.10 178.00