#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q54 s GLN 2 N 0.00 3.78 -0.17 0.54 0.74 -1.26 -5.10 119.66 118.19 2q54 s GLN 2 Ca 0.00 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.08 2q54 s GLN 2 Cb 0.00 -3.14 0.02 0.00 1.10 0.00 0.00 33.01 30.99 2q54 s GLN 2 CO 0.00 0.38 -0.16 0.42 -0.55 0.00 0.00 175.29 175.38 2q54 s ILE 3 N 0.06 1.78 0.79 -2.34 1.01 -1.26 -5.13 121.20 116.12 2q54 s ILE 3 Ca 0.05 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2q54 s ILE 3 Cb -0.12 -1.67 0.11 0.00 0.01 0.00 0.00 42.46 40.78 2q54 s ILE 3 CO 0.01 0.45 1.12 0.42 0.00 0.00 0.00 174.94 176.94 2q54 s THR 4 N 1.39 2.14 -0.12 2.92 -4.23 -1.26 -5.03 115.64 111.44 2q54 s THR 4 Ca 0.04 -0.19 0.16 0.00 -1.18 0.00 0.00 61.69 60.51 2q54 s THR 4 Cb -0.13 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.04 2q54 s THR 4 CO -0.11 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.29 2q54 n LEU 5 N -3.20 2.10 0.21 4.79 4.77 -1.26 -4.56 117.00 119.86 2q54 n LEU 5 Ca 0.11 -2.94 0.08 0.00 -0.03 0.00 0.00 56.01 53.22 2q54 n LEU 5 Cb 0.60 -0.38 0.47 0.00 -2.33 0.00 0.00 43.42 41.78 2q54 n LEU 5 CO 0.50 0.76 0.79 -0.50 -1.33 0.00 0.00 177.39 177.61 2q54 h TRP 6 N 0.17 0.00 -2.30 -1.77 4.06 -2.07 -3.43 115.95 110.61 2q54 h TRP 6 Ca -0.01 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2q54 h TRP 6 Cb 1.07 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.09 2q54 h TRP 6 CO 0.13 0.27 -0.71 0.15 -3.56 0.00 0.00 178.44 174.72 2q54 s LYS 7 N -3.84 1.65 0.29 0.49 1.02 -1.26 -5.11 119.74 112.98 2q54 s LYS 7 Ca -0.01 -1.81 -0.30 0.00 0.02 0.00 0.00 55.97 53.87 2q54 s LYS 7 Cb 0.12 -1.52 -0.11 0.00 -0.52 0.00 0.00 37.83 35.79 2q54 s LYS 7 CO 0.65 0.18 1.62 1.03 -0.92 0.00 0.00 175.35 177.91 2q54 s ARG 8 N -3.61 4.11 -1.19 1.68 0.52 -1.26 -4.86 118.95 114.34 2q54 s ARG 8 Ca 0.30 2.60 -0.17 0.00 -0.52 0.00 0.00 55.73 57.94 2q54 s ARG 8 Cb 0.00 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.41 2q54 s ARG 8 CO 0.14 -0.66 2.13 -0.35 0.02 0.00 0.00 175.30 176.58 2q54 n PRO 9 N 2.36 2.34 -3.27 3.54 -0.04 -1.26 -4.92 135.00 133.75 2q54 n PRO 9 Ca 0.09 -2.29 -0.38 0.00 -0.04 0.00 0.00 63.50 60.88 2q54 n PRO 9 Cb 0.37 -3.12 -0.06 0.00 -0.04 0.00 0.00 33.50 30.65 2q54 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2q54 s LEU 10 N 1.73 4.38 0.10 1.53 1.43 -1.26 -1.12 118.68 125.46 2q54 s LEU 10 Ca 0.51 1.03 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2q54 s LEU 10 Cb 0.14 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2q54 s LEU 10 CO -0.01 0.10 -0.08 0.68 0.23 0.00 0.00 176.35 177.27 2q54 s VAL 11 N -0.05 0.77 0.09 -1.59 -7.23 0.06 -4.92 120.40 107.53 2q54 s VAL 11 Ca 0.29 -1.82 -0.29 0.00 -1.81 0.00 0.00 61.98 58.35 2q54 s VAL 11 Cb -0.17 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 2q54 s VAL 11 CO 0.15 -0.76 0.93 -0.89 -0.31 0.00 0.00 175.10 174.22 2q54 s THR 12 N -3.18 4.58 0.18 5.32 2.01 -1.26 -0.65 115.64 122.63 2q54 s THR 12 Ca 0.09 2.00 0.11 0.00 0.31 0.00 0.00 61.69 64.20 2q54 s THR 12 Cb 0.02 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 2q54 s THR 12 CO -0.03 0.31 -0.24 0.27 -0.69 0.00 0.00 174.62 174.24 2q54 s ILE 13 N 0.10 2.29 -0.12 1.82 -4.36 0.32 -2.92 121.20 118.34 2q54 s ILE 13 Ca 0.46 -1.96 0.01 0.00 -0.26 0.00 0.00 60.65 58.90 2q54 s ILE 13 Cb -0.23 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.40 2q54 s ILE 13 CO 0.29 -0.09 -0.15 -0.60 0.24 0.00 0.00 174.94 174.63 2q54 s ARG 14 N -2.54 3.25 -0.18 0.37 3.52 -0.42 -1.56 118.95 121.38 2q54 s ARG 14 Ca 0.19 -0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 2q54 s ARG 14 Cb -0.08 -2.56 0.08 0.00 -1.56 0.00 0.00 34.95 30.83 2q54 s ARG 14 CO 0.09 0.25 0.39 -1.50 -0.81 0.00 0.00 175.30 173.72 2q54 s ILE 15 N 0.24 -0.44 -1.51 4.11 2.07 -0.37 -1.55 121.20 123.75 2q54 s ILE 15 Ca -0.10 0.16 -0.06 0.00 -1.41 0.00 0.00 60.65 59.25 2q54 s ILE 15 Cb -0.16 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.83 2q54 s ILE 15 CO 0.06 0.07 0.72 0.61 -1.91 0.00 0.00 174.94 174.49 2q54 n GLY 16 N 5.06 -0.53 3.19 1.50 0.00 -1.26 -1.60 105.19 111.54 2q54 n GLY 16 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2q54 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q54 n GLY 17 N -1.61 0.62 3.71 -0.02 0.00 -1.26 -5.01 105.19 101.62 2q54 n GLY 17 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2q54 n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2q54 s GLN 18 N -0.38 3.01 -0.13 1.61 0.74 -0.63 -5.11 119.66 118.77 2q54 s GLN 18 Ca 0.00 -0.41 -0.12 0.00 0.05 0.00 0.00 55.36 54.88 2q54 s GLN 18 Cb 0.00 -2.82 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 2q54 s GLN 18 CO 0.00 0.69 0.25 -0.51 -0.55 0.00 0.00 175.29 175.18 2q54 s LEU 19 N -1.08 4.31 0.07 3.68 1.43 -1.26 -1.23 118.68 124.60 2q54 s LEU 19 Ca 0.15 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2q54 s LEU 19 Cb -0.11 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2q54 s LEU 19 CO 0.05 0.22 -0.06 -0.54 0.23 0.00 0.00 176.35 176.24 2q54 s LYS 20 N -0.12 0.69 -0.10 1.70 1.02 -0.60 -4.98 119.74 117.35 2q54 s LYS 20 Ca 0.16 -1.14 -0.13 0.00 0.02 0.00 0.00 55.97 54.88 2q54 s LYS 20 Cb -0.13 -0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.01 2q54 s LYS 20 CO 0.04 -0.02 0.31 -1.21 -0.92 0.00 0.00 175.35 173.55 2q54 s GLU 21 N -3.21 4.00 0.02 1.68 0.41 -1.26 -0.52 118.70 119.83 2q54 s GLU 21 Ca 0.04 0.18 -0.01 0.00 -0.41 0.00 0.00 54.97 54.77 2q54 s GLU 21 Cb 0.02 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 29.03 2q54 s GLU 21 CO -0.04 0.48 -0.01 0.00 -0.49 0.00 0.00 175.26 175.20 2q54 s ALA 22 N -0.30 0.12 -0.20 5.21 0.00 0.18 -4.48 121.76 122.28 2q54 s ALA 22 Ca 0.19 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.35 2q54 s ALA 22 Cb -0.14 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 2q54 s ALA 22 CO 0.07 -0.21 0.45 -1.17 0.00 0.00 0.00 175.76 174.90 2q54 s LEU 23 N -1.72 4.14 -0.39 0.00 2.96 0.53 -0.76 118.68 123.45 2q54 s LEU 23 Ca -0.12 0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 54.07 2q54 s LEU 23 Cb -0.07 -2.59 0.01 0.00 0.50 0.00 0.00 46.19 44.05 2q54 s LEU 23 CO -0.02 -0.13 1.31 -0.76 -1.32 0.00 0.00 176.35 175.43 2q54 s LEU 24 N 1.49 3.70 -0.39 -0.68 1.43 -0.28 -0.20 118.68 123.76 2q54 s LEU 24 Ca 0.21 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2q54 s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 2q54 s LEU 24 CO 0.09 -1.27 0.17 -0.62 0.23 0.00 0.00 176.35 174.95 2q54 s ASP 25 N 3.22 3.92 0.57 2.29 3.68 -0.46 -4.77 116.67 125.12 2q54 s ASP 25 Ca 0.57 -2.27 0.36 0.00 2.13 0.00 0.00 52.55 53.34 2q54 s ASP 25 Cb -0.13 -1.07 1.59 0.00 -1.45 0.00 0.00 42.92 41.86 2q54 s ASP 25 CO 0.29 -0.33 2.07 0.71 0.13 0.00 0.00 175.17 178.04 2q54 h THR 26 N 5.81 0.00 -0.18 1.71 1.35 -1.93 -2.17 112.91 117.50 2q54 h THR 26 Ca -0.06 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2q54 h THR 26 Cb 0.96 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2q54 h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2q54 n GLY 27 N -0.19 -0.11 3.28 5.82 0.00 -1.26 -4.82 105.19 107.90 2q54 n GLY 27 Ca -0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2q54 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q54 s ALA 28 N -1.76 2.51 0.21 4.61 0.00 -0.82 -5.00 121.76 121.51 2q54 s ALA 28 Ca 0.16 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 2q54 s ALA 28 Cb 0.08 -1.23 0.16 0.00 0.00 0.00 0.00 23.12 22.14 2q54 s ALA 28 CO 0.12 -0.01 1.66 -0.44 0.00 0.00 0.00 175.76 177.09 2q54 h ASP 29 N 7.26 0.91 -2.24 0.00 3.32 -1.87 0.12 116.42 123.91 2q54 h ASP 29 Ca -0.32 -0.28 -0.60 0.00 0.02 0.00 0.00 57.03 55.85 2q54 h ASP 29 Cb 1.19 -0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.36 2q54 h ASP 29 CO 0.57 1.02 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.54 2q54 s ASP 30 N -6.66 3.55 -0.19 6.45 1.01 -1.26 -2.88 116.67 116.69 2q54 s ASP 30 Ca -0.10 -1.04 -0.16 0.00 0.71 0.00 0.00 52.55 51.95 2q54 s ASP 30 Cb 0.14 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2q54 s ASP 30 CO 0.84 0.01 0.42 -0.89 0.21 0.00 0.00 175.17 175.76 2q54 s THR 31 N -2.54 5.19 -0.10 -1.27 2.01 -1.26 -3.35 115.64 114.32 2q54 s THR 31 Ca 0.30 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 63.05 2q54 s THR 31 Cb -0.04 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.75 2q54 s THR 31 CO 0.15 0.26 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.61 2q54 s VAL 32 N 1.22 0.70 0.07 3.82 1.01 -0.50 -0.73 120.40 125.99 2q54 s VAL 32 Ca 0.20 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.13 2q54 s VAL 32 Cb -0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2q54 s VAL 32 CO 0.08 0.30 -0.04 -0.76 0.00 0.00 0.00 175.10 174.67 2q54 s LEU 33 N 1.84 3.29 0.93 3.92 1.43 0.11 -0.46 118.68 129.74 2q54 s LEU 33 Ca 0.05 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2q54 s LEU 33 Cb -0.13 -2.00 0.14 0.00 0.03 0.00 0.00 46.19 44.23 2q54 s LEU 33 CO -0.07 0.21 1.02 -0.62 0.23 0.00 0.00 176.35 177.12 2q54 n GLU 34 N 0.88 -0.51 -1.61 1.70 1.02 -1.26 -1.72 120.64 119.13 2q54 n GLU 34 Ca -0.13 -0.09 -0.51 0.00 -0.02 0.00 0.00 57.16 56.41 2q54 n GLU 34 Cb 0.52 -2.28 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 2q54 n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2q54 n GLU 35 N -3.86 1.34 -3.56 3.49 -0.58 -1.21 -4.57 120.64 111.69 2q54 n GLU 35 Ca 0.11 0.48 -0.09 0.00 -0.42 0.00 0.00 57.16 57.25 2q54 n GLU 35 Cb 0.52 -2.16 -0.02 0.00 -0.57 0.00 0.00 31.44 29.22 2q54 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2q54 s MET 36 N 0.78 1.16 -0.08 3.49 0.23 -1.26 -5.03 119.30 118.58 2q54 s MET 36 Ca 0.84 -0.50 -0.20 0.00 -1.03 0.00 0.00 55.69 54.80 2q54 s MET 36 Cb -0.91 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 32.83 2q54 s MET 36 CO 0.46 -0.51 0.57 -0.80 -2.03 0.00 0.00 175.02 172.71 2q54 s ASN 37 N -2.70 6.84 0.01 -1.18 0.02 -1.26 -5.04 114.94 111.62 2q54 s ASN 37 Ca 0.06 1.01 0.04 0.00 -1.02 0.00 0.00 52.86 52.94 2q54 s ASN 37 Cb -0.02 -2.34 -0.01 0.00 0.02 0.00 0.00 41.25 38.90 2q54 s ASN 37 CO -0.06 -0.01 -0.12 -0.76 0.02 0.00 0.00 177.10 176.17 2q54 s LEU 38 N 0.49 2.08 0.68 0.60 1.43 -1.26 -5.07 118.68 117.62 2q54 s LEU 38 Ca 0.31 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2q54 s LEU 38 Cb -0.17 -0.56 -0.00 0.00 0.03 0.00 0.00 46.19 45.49 2q54 s LEU 38 CO 0.14 0.09 1.05 -2.84 0.23 0.00 0.00 176.35 175.03 2q54 s PRO 39 N -0.59 3.11 0.00 1.29 0.02 -1.26 -4.95 135.00 132.63 2q54 s PRO 39 Ca 0.03 0.86 0.00 0.00 0.02 0.00 0.00 61.00 61.91 2q54 s PRO 39 Cb -0.06 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2q54 s PRO 39 CO 0.00 -0.95 0.00 0.41 -0.33 0.00 0.00 177.00 176.13 2q54 n GLY 40 N -2.26 0.26 3.79 0.52 0.00 -1.26 -4.98 105.19 101.25 2q54 n GLY 40 Ca 0.07 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 2q54 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q54 s LYS 41 N -1.28 3.27 0.13 1.61 0.00 -1.26 -5.08 119.74 117.14 2q54 s LYS 41 Ca 0.00 1.33 0.02 0.00 0.00 0.00 0.00 55.97 57.32 2q54 s LYS 41 Cb 0.00 -2.02 -0.04 0.00 0.00 0.00 0.00 37.83 35.77 2q54 s LYS 41 CO 0.00 -0.86 -0.05 1.67 0.00 0.00 0.00 175.35 176.11 2q54 s TRP 42 N -2.26 1.04 -0.10 1.78 1.48 -1.26 -4.63 118.94 114.99 2q54 s TRP 42 Ca 0.66 -0.93 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 2q54 s TRP 42 Cb -0.18 -0.58 -0.02 0.00 -1.16 0.00 0.00 33.47 31.53 2q54 s TRP 42 CO 0.34 -0.14 -0.16 -1.59 -4.06 0.00 0.00 176.95 171.34 2q54 s LYS 43 N -3.85 3.03 0.30 3.25 0.00 -0.51 -4.88 119.74 117.07 2q54 s LYS 43 Ca 0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 55.97 55.10 2q54 s LYS 43 Cb 0.05 -2.47 -0.11 0.00 0.00 0.00 0.00 37.83 35.30 2q54 s LYS 43 CO -0.01 0.33 1.54 -2.14 0.00 0.00 0.00 175.35 175.06 2q54 s PRO 44 N 0.02 4.16 0.17 1.78 0.02 -1.26 -0.27 135.00 139.62 2q54 s PRO 44 Ca -0.06 2.50 -0.07 0.00 0.02 0.00 0.00 61.00 63.40 2q54 s PRO 44 Cb -0.15 -3.04 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2q54 s PRO 44 CO 0.05 -0.56 0.24 0.15 -0.33 0.00 0.00 177.00 176.55 2q54 s LYS 45 N -0.72 1.16 -0.00 5.54 1.02 -0.56 -4.88 119.74 121.29 2q54 s LYS 45 Ca 0.61 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 55.37 2q54 s LYS 45 Cb -0.46 0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 37.18 2q54 s LYS 45 CO 0.49 -0.41 -0.19 -1.64 -0.92 0.00 0.00 175.35 172.68 2q54 s MET 46 N -4.01 1.50 0.10 1.68 -1.94 -1.26 -0.88 119.30 114.49 2q54 s MET 46 Ca 0.22 -0.73 0.04 0.00 -1.71 0.00 0.00 55.69 53.50 2q54 s MET 46 Cb 0.04 -1.48 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 2q54 s MET 46 CO 0.03 0.40 -0.10 0.96 -0.01 0.00 0.00 175.02 176.29 2q54 s ILE 47 N -0.53 0.98 0.09 2.53 -4.36 -0.76 -4.98 121.20 114.17 2q54 s ILE 47 Ca 0.07 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 58.88 2q54 s ILE 47 Cb -0.08 -1.38 -0.04 0.00 1.25 0.00 0.00 42.46 42.21 2q54 s ILE 47 CO -0.00 -0.55 -0.11 -0.83 0.24 0.00 0.00 174.94 173.69 2q54 s GLY 48 N -2.45 1.76 0.00 6.27 0.00 -1.26 -0.98 107.32 110.65 2q54 s GLY 48 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.55 2q54 s GLY 48 CO 0.00 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.53 2q54 n GLY 49 N 0.89 4.34 0.24 0.20 0.00 -0.08 -4.98 105.19 105.79 2q54 n GLY 49 Ca -0.14 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.37 2q54 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2q54 h ILE 50 N 0.72 0.91 -0.06 -0.61 2.10 -2.02 -2.86 117.51 115.70 2q54 h ILE 50 Ca 0.00 -0.62 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2q54 h ILE 50 Cb 0.00 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.09 2q54 h ILE 50 CO 0.00 0.17 0.00 0.61 -1.08 0.00 0.00 178.15 177.85 2q54 n GLY 51 N -0.86 0.41 0.00 8.18 0.00 -1.26 -5.09 105.19 106.57 2q54 n GLY 51 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2q54 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q54 n GLY 52 N 0.94 0.86 3.79 -0.02 0.00 -1.08 -5.11 105.19 104.56 2q54 n GLY 52 Ca 0.10 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 2q54 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q54 s PHE 53 N -2.07 3.21 0.14 1.61 0.40 -1.26 -0.91 117.98 119.10 2q54 s PHE 53 Ca 0.00 0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.44 2q54 s PHE 53 Cb 0.00 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2q54 s PHE 53 CO 0.00 0.53 -0.07 0.96 0.70 0.00 0.00 175.22 177.33 2q54 s ILE 54 N -1.43 0.97 -0.06 0.64 -4.36 -0.15 -4.99 121.20 111.81 2q54 s ILE 54 Ca 0.30 -2.02 -0.15 0.00 -0.26 0.00 0.00 60.65 58.52 2q54 s ILE 54 Cb -0.12 -1.87 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 2q54 s ILE 54 CO 0.23 -0.72 0.38 -0.54 0.24 0.00 0.00 174.94 174.52 2q54 s LYS 55 N -3.80 4.05 0.25 0.37 1.02 -1.26 -1.83 119.74 118.53 2q54 s LYS 55 Ca 0.17 0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.50 2q54 s LYS 55 Cb 0.04 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 2q54 s LYS 55 CO -0.00 0.49 0.06 0.14 -0.92 0.00 0.00 175.35 175.12 2q54 s VAL 56 N -0.40 0.71 -0.20 3.17 -7.23 -0.06 -4.42 120.40 111.97 2q54 s VAL 56 Ca 0.22 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.33 2q54 s VAL 56 Cb -0.15 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 2q54 s VAL 56 CO 0.10 -0.13 0.04 -0.13 -0.31 0.00 0.00 175.10 174.67 2q54 s ARG 57 N -3.97 3.77 -0.33 4.82 0.52 0.26 -1.49 118.95 122.53 2q54 s ARG 57 Ca 0.34 -0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 54.96 2q54 s ARG 57 Cb 0.07 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 2q54 s ARG 57 CO 0.11 0.07 0.38 -1.14 0.02 0.00 0.00 175.30 174.75 2q54 s GLN 58 N 0.90 3.68 -0.21 3.54 0.74 0.63 -1.02 119.66 127.90 2q54 s GLN 58 Ca 0.03 -0.28 -0.07 0.00 0.05 0.00 0.00 55.36 55.09 2q54 s GLN 58 Cb -0.14 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2q54 s GLN 58 CO 0.02 -0.48 0.06 0.71 -0.55 0.00 0.00 175.29 175.05 2q54 s TYR 59 N 2.08 3.14 0.12 1.67 1.51 -0.16 -1.43 117.35 124.29 2q54 s TYR 59 Ca 0.13 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 2q54 s TYR 59 Cb -0.16 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 2q54 s TYR 59 CO 0.12 -0.12 0.30 -0.51 -1.11 0.00 0.00 175.55 174.22 2q54 s ASP 60 N 1.01 6.39 -1.25 2.29 1.01 -1.26 -0.76 116.67 124.10 2q54 s ASP 60 Ca 0.04 0.36 -0.02 0.00 0.71 0.00 0.00 52.55 53.64 2q54 s ASP 60 Cb -0.14 -1.99 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2q54 s ASP 60 CO 0.03 0.08 0.96 0.00 0.21 0.00 0.00 175.17 176.45 2q54 n GLN 61 N -0.07 -6.40 -3.65 8.23 1.13 -1.12 -4.91 117.38 110.59 2q54 n GLN 61 Ca -0.05 0.79 -0.37 0.00 -1.94 0.00 0.00 57.00 55.43 2q54 n GLN 61 Cb 0.52 -5.71 -0.11 0.00 0.11 0.00 0.00 30.24 25.04 2q54 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2q54 s ILE 62 N -3.42 5.01 0.14 5.09 -1.09 0.37 -4.71 121.20 122.59 2q54 s ILE 62 Ca 0.10 0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.28 2q54 s ILE 62 Cb -0.04 -3.37 -0.08 0.00 -1.58 0.00 0.00 42.46 37.38 2q54 s ILE 62 CO 0.75 0.29 1.38 -2.84 -1.23 0.00 0.00 174.94 173.29 2q54 s PRO 63 N 1.65 4.33 -0.03 2.79 0.02 -1.26 -1.65 135.00 140.84 2q54 s PRO 63 Ca 0.07 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.19 2q54 s PRO 63 Cb -0.16 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.15 2q54 s PRO 63 CO 0.08 -0.41 -0.06 0.42 -0.33 0.00 0.00 177.00 176.70 2q54 s ILE 64 N 0.89 0.61 -0.27 2.83 1.01 -0.43 -4.56 121.20 121.27 2q54 s ILE 64 Ca 0.63 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 2q54 s ILE 64 Cb -0.37 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.47 2q54 s ILE 64 CO 0.32 0.22 0.22 -0.70 0.00 0.00 0.00 174.94 175.00 2q54 s GLU 65 N 0.51 3.98 -0.28 2.79 2.12 -0.60 -1.13 118.70 126.10 2q54 s GLU 65 Ca -0.07 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 2q54 s GLU 65 Cb -0.11 -3.64 0.05 0.00 0.26 0.00 0.00 34.13 30.69 2q54 s GLU 65 CO 0.00 -0.16 -0.04 0.42 -0.54 0.00 0.00 175.26 174.95 2q54 s ILE 66 N 1.70 2.81 -1.45 -3.70 1.01 0.57 -1.31 121.20 120.83 2q54 s ILE 66 Ca 0.09 -1.33 -0.10 0.00 0.00 0.00 0.00 60.65 59.30 2q54 s ILE 66 Cb -0.16 -2.57 0.06 0.00 0.01 0.00 0.00 42.46 39.81 2q54 s ILE 66 CO 0.10 -0.01 0.76 0.00 0.00 0.00 0.00 174.94 175.79 2q54 n GLY 68 N -1.51 0.47 3.63 0.00 0.00 -1.26 -5.02 105.19 101.49 2q54 n GLY 68 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2q54 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q54 s HIS 69 N -2.07 3.19 0.04 1.61 4.02 -0.05 -5.09 115.29 116.94 2q54 s HIS 69 Ca 0.00 0.04 -0.27 0.00 1.02 0.00 0.00 55.06 55.85 2q54 s HIS 69 Cb 0.00 -1.96 -0.05 0.00 -1.02 0.00 0.00 32.58 29.55 2q54 s HIS 69 CO 0.00 0.23 0.84 -1.59 1.02 0.00 0.00 174.74 175.24 2q54 s LYS 70 N -0.06 4.55 0.12 1.40 0.00 -1.26 -0.31 119.74 124.18 2q54 s LYS 70 Ca 0.05 1.20 0.06 0.00 0.00 0.00 0.00 55.97 57.27 2q54 s LYS 70 Cb -0.12 -3.39 -0.04 0.00 0.00 0.00 0.00 37.83 34.28 2q54 s LYS 70 CO 0.02 0.19 -0.13 0.00 0.00 0.00 0.00 175.35 175.42 2q54 s ALA 71 N 0.21 1.43 -0.13 0.59 0.00 -0.28 -4.65 121.76 118.93 2q54 s ALA 71 Ca 0.43 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2q54 s ALA 71 Cb -0.21 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 22.90 2q54 s ALA 71 CO 0.25 0.08 0.09 0.42 0.00 0.00 0.00 175.76 176.60 2q54 s ILE 72 N -2.18 -0.12 0.00 0.00 1.01 -1.26 -1.32 121.20 117.33 2q54 s ILE 72 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2q54 s ILE 72 Cb -0.05 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2q54 s ILE 72 CO 0.03 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2q54 n GLY 73 N 5.29 1.70 3.71 6.18 0.00 -0.66 -4.77 105.19 116.65 2q54 n GLY 73 Ca -0.06 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2q54 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q54 s THR 74 N -2.66 4.23 -0.11 2.61 2.01 -1.26 -0.48 115.64 119.99 2q54 s THR 74 Ca 0.00 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.61 2q54 s THR 74 Cb 0.00 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.50 2q54 s THR 74 CO 0.00 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.22 2q54 s VAL 75 N 1.22 1.30 -0.04 3.82 1.01 0.06 -4.47 120.40 123.30 2q54 s VAL 75 Ca 0.57 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2q54 s VAL 75 Cb -0.27 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2q54 s VAL 75 CO 0.28 0.40 0.26 -0.76 0.00 0.00 0.00 175.10 175.28 2q54 s LEU 76 N 1.18 4.40 -0.10 3.92 1.43 0.09 -0.99 118.68 128.62 2q54 s LEU 76 Ca -0.04 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 2q54 s LEU 76 Cb -0.14 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.65 2q54 s LEU 76 CO -0.04 0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 2q54 s VAL 77 N -1.15 1.46 -0.03 -1.59 1.01 -0.19 0.04 120.40 119.95 2q54 s VAL 77 Ca 0.22 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2q54 s VAL 77 Cb -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2q54 s VAL 77 CO 0.11 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2q54 n GLY 78 N 4.13 -1.12 2.14 4.51 0.00 -0.70 -0.57 105.19 113.57 2q54 n GLY 78 Ca -0.19 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2q54 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q54 n PRO 79 N 0.00 1.99 -2.54 1.61 -0.04 -1.26 -3.30 135.00 131.46 2q54 n PRO 79 Ca 0.00 -1.06 -0.38 0.00 -0.04 0.00 0.00 63.50 62.01 2q54 n PRO 79 Cb 0.00 -2.07 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 2q54 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2q54 s THR 80 N 1.54 3.67 0.40 0.52 -1.32 -1.26 -4.96 115.64 114.23 2q54 s THR 80 Ca 0.58 1.45 0.37 0.00 -1.21 0.00 0.00 61.69 62.88 2q54 s THR 80 Cb 0.25 -3.84 0.40 0.00 -1.51 0.00 0.00 72.50 67.80 2q54 s THR 80 CO -0.01 0.18 2.17 -0.65 -2.21 0.00 0.00 174.62 174.09 2q54 h PRO 81 N 3.12 0.00 -2.90 7.08 0.11 -1.98 -3.43 132.00 134.00 2q54 h PRO 81 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2q54 h PRO 81 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 2q54 h PRO 81 CO 0.64 0.02 -0.22 0.54 -0.21 0.00 0.00 178.00 178.78 2q54 s VAL 82 N -3.97 0.05 0.08 3.15 0.11 -1.26 -5.07 120.40 113.48 2q54 s VAL 82 Ca -0.02 -0.39 -0.31 0.00 -2.93 0.00 0.00 61.98 58.33 2q54 s VAL 82 Cb 0.11 -0.65 -0.07 0.00 -1.53 0.00 0.00 36.38 34.24 2q54 s VAL 82 CO 0.50 -0.22 1.43 0.20 -3.33 0.00 0.00 175.10 173.68 2q54 s ASN 83 N -1.22 6.80 -0.11 3.54 0.01 -1.26 -4.65 114.94 118.04 2q54 s ASN 83 Ca -0.13 2.29 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 2q54 s ASN 83 Cb -0.04 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2q54 s ASN 83 CO 0.05 -0.71 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.16 2q54 s ILE 84 N 1.68 1.44 -0.37 0.60 1.01 0.39 -0.34 121.20 125.61 2q54 s ILE 84 Ca 0.66 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 2q54 s ILE 84 Cb -0.36 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 40.78 2q54 s ILE 84 CO 0.29 0.43 0.44 -0.63 0.00 0.00 0.00 174.94 175.47 2q54 s ILE 85 N 1.10 5.09 0.49 2.92 -1.09 0.72 -1.41 121.20 129.02 2q54 s ILE 85 Ca -0.05 -0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.41 2q54 s ILE 85 Cb -0.14 -3.94 0.09 0.00 -1.58 0.00 0.00 42.46 36.88 2q54 s ILE 85 CO -0.03 -0.25 0.67 0.61 -1.23 0.00 0.00 174.94 174.71 2q54 n GLY 86 N 4.97 1.33 0.28 6.18 0.00 -1.21 -1.36 105.19 115.37 2q54 n GLY 86 Ca -0.07 -2.11 0.06 0.00 0.00 0.00 0.00 46.02 43.90 2q54 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2q54 h ARG 87 N 0.00 0.20 -0.68 1.61 3.08 -0.77 -0.92 114.38 116.90 2q54 h ARG 87 Ca -0.22 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.92 2q54 h ARG 87 Cb 0.92 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 2q54 h ARG 87 CO 0.28 0.13 0.45 -2.95 -1.07 0.00 0.00 179.97 176.81 2q54 h ASN 88 N 0.20 0.47 0.06 7.04 -1.07 -1.79 -1.77 115.58 118.72 2q54 h ASN 88 Ca 0.05 0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.11 2q54 h ASN 88 Cb -0.02 -0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 36.09 2q54 h ASN 88 CO -0.01 0.28 -2.28 0.18 0.07 0.00 0.00 177.43 175.67 2q54 n LEU 89 N -4.48 0.09 -0.34 6.14 4.77 -0.66 -4.10 117.00 118.42 2q54 n LEU 89 Ca 0.11 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2q54 n LEU 89 Cb 0.37 0.42 0.11 0.00 -2.33 0.00 0.00 43.42 42.00 2q54 n LEU 89 CO 0.33 0.44 1.24 -0.07 -1.33 0.00 0.00 177.39 178.00 2q54 h LEU 90 N 0.00 1.12 -0.90 2.23 3.38 -0.90 -1.67 115.31 118.57 2q54 h LEU 90 Ca -0.47 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2q54 h LEU 90 Cb 2.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 2q54 h LEU 90 CO 0.03 0.85 0.29 0.71 0.09 0.00 0.00 178.44 180.41 2q54 h THR 91 N 1.29 1.25 -0.52 0.22 1.35 -1.53 -1.14 112.91 113.83 2q54 h THR 91 Ca 0.34 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 2q54 h THR 91 Cb -0.07 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 66.70 2q54 h THR 91 CO -0.06 0.32 0.29 1.56 -0.25 0.00 0.00 175.52 177.38 2q54 h GLN 92 N 1.07 0.71 -0.31 4.72 4.20 -1.47 -1.81 115.11 122.23 2q54 h GLN 92 Ca 0.25 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.89 2q54 h GLN 92 Cb 0.21 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2q54 h GLN 92 CO -0.02 0.52 0.00 0.44 -0.67 0.00 0.00 178.83 179.10 2q54 n ILE 93 N -4.41 0.41 -1.54 2.54 -5.35 -0.99 -4.93 119.36 105.10 2q54 n ILE 93 Ca 0.05 -0.49 -0.03 0.00 -0.27 0.00 0.00 62.75 62.01 2q54 n ILE 93 Cb 0.09 0.38 -0.01 0.00 -1.74 0.00 0.00 39.64 38.36 2q54 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2q54 n GLY 94 N 1.18 0.43 3.72 3.28 0.00 -0.68 -5.00 105.19 108.12 2q54 n GLY 94 Ca 0.15 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2q54 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q54 s THR 96 N 0.44 1.05 -0.06 0.00 -4.23 -1.26 -4.65 115.64 106.94 2q54 s THR 96 Ca 0.52 -2.03 -0.13 0.00 -1.18 0.00 0.00 61.69 58.86 2q54 s THR 96 Cb -0.26 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 2q54 s THR 96 CO 0.31 -0.71 0.33 -0.76 -0.54 0.00 0.00 174.62 173.25 2q54 s LEU 97 N -3.16 4.41 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.77 2q54 s LEU 97 Ca 0.18 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 2q54 s LEU 97 Cb 0.03 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.84 2q54 s LEU 97 CO 0.01 0.29 0.00 0.20 0.23 0.00 0.00 176.35 177.08 2q54 s ASN 98 N -0.72 0.24 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.32 2q54 s ASN 98 Ca 0.21 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.49 2q54 s ASN 98 Cb -0.15 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 2q54 s ASN 98 CO 0.09 -0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.78