#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t7j s GLN 2 N 0.00 4.08 -0.20 0.54 0.74 -1.26 -5.07 119.66 118.49 1t7j s GLN 2 Ca 0.00 -0.15 -0.03 0.00 0.05 0.00 0.00 55.36 55.23 1t7j s GLN 2 Cb 0.00 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 1t7j s GLN 2 CO 0.00 0.00 -0.05 0.42 -0.55 0.00 0.00 175.29 175.11 1t7j s ILE 3 N 1.23 3.41 0.66 -2.34 1.01 -1.26 -5.11 121.20 118.80 1t7j s ILE 3 Ca 0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1t7j s ILE 3 Cb -0.14 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.81 1t7j s ILE 3 CO 0.06 0.44 1.02 0.42 0.00 0.00 0.00 174.94 176.88 1t7j s THR 4 N 1.22 3.44 -0.24 2.92 -4.23 -1.26 -5.02 115.64 112.47 1t7j s THR 4 Ca 0.03 0.24 0.13 0.00 -1.18 0.00 0.00 61.69 60.90 1t7j s THR 4 Cb -0.14 -3.43 0.52 0.00 1.34 0.00 0.00 72.50 70.78 1t7j s THR 4 CO -0.01 -0.51 1.45 0.18 -0.54 0.00 0.00 174.62 175.19 1t7j n LEU 5 N -2.85 4.06 0.23 4.79 4.77 -1.26 -4.52 117.00 122.22 1t7j n LEU 5 Ca 0.06 -3.40 0.16 0.00 -0.03 0.00 0.00 56.01 52.80 1t7j n LEU 5 Cb 0.58 -0.60 0.61 0.00 -2.33 0.00 0.00 43.42 41.68 1t7j n LEU 5 CO 0.55 0.96 0.95 -0.50 -1.33 0.00 0.00 177.39 178.02 1t7j h TRP 6 N 1.33 0.00 -3.44 -1.77 4.06 -2.06 -3.43 115.95 110.64 1t7j h TRP 6 Ca 0.13 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.75 1t7j h TRP 6 Cb 1.59 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.60 1t7j h TRP 6 CO 0.77 0.00 -0.72 0.15 -3.56 0.00 0.00 178.44 175.09 1t7j s LYS 7 N -3.54 1.03 0.17 0.49 1.02 -1.26 -5.10 119.74 112.55 1t7j s LYS 7 Ca 0.02 -1.42 -0.32 0.00 0.02 0.00 0.00 55.97 54.28 1t7j s LYS 7 Cb 0.09 -0.61 -0.12 0.00 -0.52 0.00 0.00 37.83 36.67 1t7j s LYS 7 CO 0.51 0.07 1.72 0.54 -0.92 0.00 0.00 175.35 177.27 1t7j n ARG 8 N -0.11 2.62 -2.20 1.68 1.74 -1.26 -4.83 116.66 114.30 1t7j n ARG 8 Ca -0.11 0.95 -0.32 0.00 -0.77 0.00 0.00 57.85 57.60 1t7j n ARG 8 Cb 0.60 -2.79 -0.04 0.00 -1.02 0.00 0.00 32.46 29.21 1t7j n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1t7j s PRO 9 N 1.47 2.89 -0.01 5.56 0.04 -1.26 -4.92 135.00 138.76 1t7j s PRO 9 Ca 0.78 -1.36 -0.11 0.00 0.04 0.00 0.00 61.00 60.34 1t7j s PRO 9 Cb -0.55 -5.32 -0.05 0.00 0.04 0.00 0.00 34.50 28.62 1t7j s PRO 9 CO 0.35 -3.51 0.33 -0.51 0.04 0.00 0.00 177.00 173.69 1t7j s LEU 10 N 9.20 4.42 0.06 -3.56 1.43 -1.26 -1.43 118.68 127.54 1t7j s LEU 10 Ca 0.64 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1t7j s LEU 10 Cb 0.00 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1t7j s LEU 10 CO 0.11 0.31 -0.04 0.68 0.23 0.00 0.00 176.35 177.64 1t7j s VAL 11 N -1.15 0.36 -0.15 -1.59 -7.23 0.54 -4.96 120.40 106.24 1t7j s VAL 11 Ca 0.24 -1.83 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 1t7j s VAL 11 Cb -0.15 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1t7j s VAL 11 CO 0.12 -0.95 0.41 -0.89 -0.31 0.00 0.00 175.10 173.48 1t7j s THR 12 N -3.79 5.22 0.22 5.32 2.01 -1.26 -0.57 115.64 122.78 1t7j s THR 12 Ca 0.08 0.80 0.11 0.00 0.31 0.00 0.00 61.69 62.99 1t7j s THR 12 Cb 0.07 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 1t7j s THR 12 CO -0.08 0.33 -0.22 0.27 -0.69 0.00 0.00 174.62 174.23 1t7j s ILE 13 N 0.71 2.47 -0.13 1.82 -4.36 0.85 -2.98 121.20 119.58 1t7j s ILE 13 Ca 0.22 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.54 1t7j s ILE 13 Cb -0.14 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1t7j s ILE 13 CO 0.08 -0.19 -0.21 -0.60 0.24 0.00 0.00 174.94 174.26 1t7j s ARG 14 N -2.91 2.87 -0.16 0.37 3.52 -0.06 -1.32 118.95 121.25 1t7j s ARG 14 Ca 0.24 -0.80 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 1t7j s ARG 14 Cb -0.07 -2.30 0.07 0.00 -1.56 0.00 0.00 34.95 31.09 1t7j s ARG 14 CO 0.12 0.02 0.20 0.96 -0.81 0.00 0.00 175.30 175.78 1t7j s ILE 15 N 0.74 -0.29 -0.80 4.11 -4.36 -0.10 -1.96 121.20 118.55 1t7j s ILE 15 Ca -0.10 0.05 -0.02 0.00 -0.26 0.00 0.00 60.65 60.32 1t7j s ILE 15 Cb -0.16 -0.54 0.00 0.00 1.25 0.00 0.00 42.46 43.01 1t7j s ILE 15 CO 0.00 -0.09 0.68 0.61 0.24 0.00 0.00 174.94 176.39 1t7j n GLY 16 N 5.32 -0.03 3.39 6.27 0.00 -1.26 -2.29 105.19 116.59 1t7j n GLY 16 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1t7j n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t7j n GLY 17 N -1.24 0.19 3.73 -0.02 0.00 -1.26 -4.95 105.19 101.64 1t7j n GLY 17 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1t7j n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t7j s GLN 18 N -1.06 2.93 -0.28 1.61 0.74 -0.97 -5.09 119.66 117.53 1t7j s GLN 18 Ca 0.00 -0.54 -0.06 0.00 0.05 0.00 0.00 55.36 54.81 1t7j s GLN 18 Cb 0.00 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.35 1t7j s GLN 18 CO 0.00 0.64 0.06 -0.51 -0.55 0.00 0.00 175.29 174.93 1t7j s LEU 19 N -1.61 3.69 0.33 3.68 1.43 -1.26 -0.93 118.68 124.03 1t7j s LEU 19 Ca 0.21 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1t7j s LEU 19 Cb -0.12 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1t7j s LEU 19 CO 0.11 -0.16 -0.06 -0.54 0.23 0.00 0.00 176.35 175.93 1t7j s LYS 20 N 1.49 1.76 -0.16 1.70 1.02 -0.43 -4.96 119.74 120.16 1t7j s LYS 20 Ca 0.03 -1.92 -0.05 0.00 0.02 0.00 0.00 55.97 54.05 1t7j s LYS 20 Cb -0.17 -1.49 -0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1t7j s LYS 20 CO 0.01 0.06 0.02 -2.00 -0.92 0.00 0.00 175.35 172.53 1t7j s GLU 21 N -3.67 3.70 0.04 1.68 2.12 -1.26 -0.10 118.70 121.21 1t7j s GLU 21 Ca 0.32 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 1t7j s GLU 21 Cb 0.04 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.36 1t7j s GLU 21 CO 0.15 0.34 -0.02 0.00 -0.54 0.00 0.00 175.26 175.19 1t7j s ALA 22 N 0.14 0.34 -0.22 6.30 0.00 0.26 -4.56 121.76 124.01 1t7j s ALA 22 Ca 0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 1t7j s ALA 22 Cb -0.13 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1t7j s ALA 22 CO 0.02 -0.30 0.20 -1.17 0.00 0.00 0.00 175.76 174.51 1t7j s LEU 23 N -2.39 4.14 -0.41 0.00 2.96 -0.25 -0.34 118.68 122.39 1t7j s LEU 23 Ca -0.01 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.82 1t7j s LEU 23 Cb 0.01 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.53 1t7j s LEU 23 CO -0.07 0.06 1.52 -0.76 -1.32 0.00 0.00 176.35 175.78 1t7j s LEU 24 N 0.98 3.54 -0.38 -0.68 1.43 -0.52 -0.92 118.68 122.13 1t7j s LEU 24 Ca 0.10 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1t7j s LEU 24 Cb -0.13 -3.47 0.11 0.00 0.03 0.00 0.00 46.19 42.73 1t7j s LEU 24 CO 0.04 -1.55 0.12 -0.62 0.23 0.00 0.00 176.35 174.57 1t7j s ASP 25 N 4.62 4.95 0.11 2.29 -1.08 -0.61 -4.80 116.67 122.15 1t7j s ASP 25 Ca 0.65 -2.16 0.21 0.00 -0.52 0.00 0.00 52.55 50.73 1t7j s ASP 25 Cb -0.15 -1.71 0.84 0.00 -1.46 0.00 0.00 42.92 40.44 1t7j s ASP 25 CO 0.32 -0.44 1.64 0.35 0.52 0.00 0.00 175.17 177.56 1t7j n THR 26 N 4.32 0.77 1.01 1.71 -2.24 -1.26 -2.44 114.28 116.16 1t7j n THR 26 Ca 0.02 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 1t7j n THR 26 Cb 0.41 -0.95 0.43 0.00 -2.10 0.00 0.00 70.33 68.12 1t7j n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t7j n GLY 27 N 0.32 -1.35 3.66 3.38 0.00 -1.26 -4.79 105.19 105.15 1t7j n GLY 27 Ca 0.04 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1t7j n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t7j s ALA 28 N -2.98 3.47 0.21 4.61 0.00 -1.02 -4.97 121.76 121.08 1t7j s ALA 28 Ca 0.13 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1t7j s ALA 28 Cb 0.18 -1.99 0.15 0.00 0.00 0.00 0.00 23.12 21.46 1t7j s ALA 28 CO 0.62 0.16 1.49 -0.44 0.00 0.00 0.00 175.76 177.58 1t7j h ASP 29 N 6.72 0.11 -1.90 0.00 3.32 -1.87 -0.93 116.42 121.87 1t7j h ASP 29 Ca -0.38 -0.08 -0.62 0.00 0.02 0.00 0.00 57.03 55.97 1t7j h ASP 29 Cb 1.16 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.55 1t7j h ASP 29 CO 0.72 0.81 -0.67 -1.81 -1.72 0.00 0.00 179.24 176.57 1t7j s ASP 30 N -6.85 3.78 -0.23 6.45 1.01 -1.26 -2.64 116.67 116.93 1t7j s ASP 30 Ca -0.02 -1.21 -0.17 0.00 0.71 0.00 0.00 52.55 51.86 1t7j s ASP 30 Cb 0.11 -0.36 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 1t7j s ASP 30 CO 0.79 -0.24 0.47 -0.89 0.21 0.00 0.00 175.17 175.51 1t7j s THR 31 N -2.62 5.13 -0.11 -1.27 2.01 -1.26 -3.32 115.64 114.20 1t7j s THR 31 Ca 0.33 0.82 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1t7j s THR 31 Cb 0.03 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.77 1t7j s THR 31 CO 0.17 0.17 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.44 1t7j s VAL 32 N 1.80 1.39 0.17 3.82 1.01 -0.47 -1.26 120.40 126.85 1t7j s VAL 32 Ca 0.21 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.71 1t7j s VAL 32 Cb -0.15 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1t7j s VAL 32 CO 0.09 0.42 -0.11 -0.76 0.00 0.00 0.00 175.10 174.74 1t7j s LEU 33 N 1.09 2.94 1.05 3.92 1.43 0.12 -0.69 118.68 128.54 1t7j s LEU 33 Ca -0.05 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1t7j s LEU 33 Cb -0.14 -1.64 0.22 0.00 0.03 0.00 0.00 46.19 44.65 1t7j s LEU 33 CO -0.03 0.11 1.07 -1.61 0.23 0.00 0.00 176.35 176.13 1t7j s GLU 34 N -2.73 -0.03 0.16 1.70 2.02 -1.26 -1.30 118.70 117.26 1t7j s GLU 34 Ca 0.24 1.02 -0.34 0.00 0.02 0.00 0.00 54.97 55.91 1t7j s GLU 34 Cb -0.09 -1.64 -0.14 0.00 0.10 0.00 0.00 34.13 32.35 1t7j s GLU 34 CO 0.14 -3.18 1.49 0.39 0.02 0.00 0.00 175.26 174.13 1t7j n GLU 35 N -4.56 1.90 -3.65 1.61 4.71 -1.25 -4.44 120.64 114.97 1t7j n GLU 35 Ca 0.06 0.68 -0.04 0.00 -0.01 0.00 0.00 57.16 57.85 1t7j n GLU 35 Cb 0.54 -2.40 -0.01 0.00 -1.01 0.00 0.00 31.44 28.55 1t7j n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1t7j s MET 36 N 0.59 0.94 -0.35 3.49 0.23 -1.26 -5.04 119.30 117.90 1t7j s MET 36 Ca 0.78 -0.47 -0.15 0.00 -1.03 0.00 0.00 55.69 54.82 1t7j s MET 36 Cb -0.74 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 32.91 1t7j s MET 36 CO 0.42 -0.43 0.33 -0.80 -2.03 0.00 0.00 175.02 172.51 1t7j s ASN 37 N -2.76 6.14 0.05 -1.18 0.02 -1.26 -5.06 114.94 110.89 1t7j s ASN 37 Ca 0.10 -0.37 0.07 0.00 -1.02 0.00 0.00 52.86 51.63 1t7j s ASN 37 Cb -0.01 -2.18 -0.03 0.00 0.02 0.00 0.00 41.25 39.05 1t7j s ASN 37 CO -0.02 -0.34 -0.17 -0.76 0.02 0.00 0.00 177.10 175.83 1t7j s LEU 38 N 1.93 2.69 0.53 0.60 1.43 -1.26 -5.10 118.68 119.49 1t7j s LEU 38 Ca 0.10 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1t7j s LEU 38 Cb -0.17 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1t7j s LEU 38 CO 0.11 0.25 1.01 -2.16 0.23 0.00 0.00 176.35 175.79 1t7j s PRO 39 N -1.54 3.76 0.00 1.29 0.04 -1.26 -4.97 135.00 132.32 1t7j s PRO 39 Ca 0.15 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1t7j s PRO 39 Cb -0.11 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1t7j s PRO 39 CO 0.06 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1t7j n GLY 40 N -1.17 2.00 3.70 0.56 0.00 -1.26 -4.98 105.19 104.04 1t7j n GLY 40 Ca 0.08 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1t7j n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t7j s ARG 41 N -2.05 4.47 0.23 1.61 1.04 -1.26 -5.04 118.95 117.94 1t7j s ARG 41 Ca 0.00 1.31 0.11 0.00 -1.04 0.00 0.00 55.73 56.11 1t7j s ARG 41 Cb 0.00 -3.50 -0.05 0.00 -2.04 0.00 0.00 34.95 29.36 1t7j s ARG 41 CO 0.00 -0.17 -0.19 1.67 -0.04 0.00 0.00 175.30 176.58 1t7j s TRP 42 N 1.49 2.37 0.01 5.89 1.48 -1.26 -4.66 118.94 124.26 1t7j s TRP 42 Ca 0.48 -0.32 0.08 0.00 -1.06 0.00 0.00 56.10 55.27 1t7j s TRP 42 Cb -0.19 -1.11 -0.02 0.00 -1.16 0.00 0.00 33.47 30.99 1t7j s TRP 42 CO 0.21 0.60 -0.24 0.15 -4.06 0.00 0.00 176.95 173.61 1t7j s LYS 43 N -3.10 1.77 0.39 3.25 -0.14 -0.80 -4.90 119.74 116.21 1t7j s LYS 43 Ca 0.26 -0.93 -0.26 0.00 -1.36 0.00 0.00 55.97 53.68 1t7j s LYS 43 Cb -0.07 -1.80 -0.09 0.00 -1.68 0.00 0.00 37.83 34.20 1t7j s LYS 43 CO 0.13 0.48 1.23 -2.14 -0.76 0.00 0.00 175.35 174.30 1t7j s PRO 44 N -0.85 4.05 0.18 -1.68 0.02 -1.26 -0.67 135.00 134.80 1t7j s PRO 44 Ca 0.09 2.00 -0.13 0.00 0.02 0.00 0.00 61.00 62.98 1t7j s PRO 44 Cb -0.09 -2.76 0.01 0.00 0.02 0.00 0.00 34.50 31.68 1t7j s PRO 44 CO 0.00 -0.37 0.40 0.15 -0.33 0.00 0.00 177.00 176.86 1t7j s LYS 45 N -2.21 1.28 -0.04 5.54 1.02 -0.57 -4.87 119.74 119.89 1t7j s LYS 45 Ca 0.56 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.53 1t7j s LYS 45 Cb -0.35 0.45 0.01 0.00 -0.52 0.00 0.00 37.83 37.42 1t7j s LYS 45 CO 0.44 -0.51 -0.09 -1.64 -0.92 0.00 0.00 175.35 172.63 1t7j s MET 46 N -3.93 1.18 0.21 1.68 -1.94 -1.26 -0.48 119.30 114.76 1t7j s MET 46 Ca 0.14 -0.29 0.10 0.00 -1.71 0.00 0.00 55.69 53.93 1t7j s MET 46 Cb 0.01 -1.06 -0.05 0.00 2.01 0.00 0.00 34.83 35.75 1t7j s MET 46 CO -0.01 0.03 -0.19 0.96 -0.01 0.00 0.00 175.02 175.80 1t7j s ILE 47 N 0.56 2.13 -0.09 2.53 -4.36 -0.91 -4.96 121.20 116.11 1t7j s ILE 47 Ca -0.10 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.16 1t7j s ILE 47 Cb -0.13 -2.08 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 1t7j s ILE 47 CO 0.02 -0.34 -0.12 -0.83 0.24 0.00 0.00 174.94 173.91 1t7j s GLY 48 N -3.03 1.58 0.00 6.27 0.00 -1.26 -1.29 107.32 109.58 1t7j s GLY 48 Ca 0.22 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1t7j s GLY 48 CO 0.10 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.30 1t7j n GLY 49 N 2.77 6.29 0.23 0.20 0.00 0.13 -4.97 105.19 109.85 1t7j n GLY 49 Ca -0.18 -2.08 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 1t7j n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1t7j h ILE 50 N 0.26 1.26 -0.48 -0.61 2.10 -2.02 -3.13 117.51 114.88 1t7j h ILE 50 Ca 0.00 -1.21 0.00 0.00 1.08 0.00 0.00 64.86 64.73 1t7j h ILE 50 Cb 0.00 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 1t7j h ILE 50 CO 0.00 0.38 0.00 0.61 -1.08 0.00 0.00 178.15 178.06 1t7j n GLY 51 N -0.45 1.92 0.00 8.18 0.00 -1.26 -5.07 105.19 108.52 1t7j n GLY 51 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1t7j n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1t7j n GLY 52 N 1.56 0.89 3.77 -0.02 0.00 -1.19 -5.10 105.19 105.10 1t7j n GLY 52 Ca 0.21 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1t7j n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t7j s PHE 53 N -1.95 3.28 0.24 1.61 0.40 -1.26 0.21 117.98 120.52 1t7j s PHE 53 Ca 0.00 0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.60 1t7j s PHE 53 Cb 0.00 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 1t7j s PHE 53 CO 0.00 0.55 -0.05 0.96 0.70 0.00 0.00 175.22 177.38 1t7j s ILE 54 N -1.15 1.39 -0.10 0.64 -4.36 -0.42 -4.98 121.20 112.23 1t7j s ILE 54 Ca 0.21 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.40 1t7j s ILE 54 Cb -0.12 -2.33 -0.05 0.00 1.25 0.00 0.00 42.46 41.22 1t7j s ILE 54 CO 0.12 -0.37 0.25 -0.54 0.24 0.00 0.00 174.94 174.64 1t7j s LYS 55 N -3.77 3.81 0.19 0.37 1.02 -1.26 -2.14 119.74 117.95 1t7j s LYS 55 Ca 0.27 0.07 0.01 0.00 0.02 0.00 0.00 55.97 56.35 1t7j s LYS 55 Cb 0.04 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1t7j s LYS 55 CO 0.09 0.61 0.04 0.14 -0.92 0.00 0.00 175.35 175.31 1t7j s VAL 56 N -0.63 0.52 -0.21 3.17 -7.23 0.36 -4.46 120.40 111.93 1t7j s VAL 56 Ca 0.17 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 1t7j s VAL 56 Cb -0.14 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1t7j s VAL 56 CO 0.06 -0.34 0.06 -0.13 -0.31 0.00 0.00 175.10 174.44 1t7j s ARG 57 N -3.98 3.82 -0.22 4.82 0.52 0.65 -1.52 118.95 123.05 1t7j s ARG 57 Ca 0.28 -0.41 -0.14 0.00 -0.52 0.00 0.00 55.73 54.94 1t7j s ARG 57 Cb 0.07 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1t7j s ARG 57 CO 0.06 0.09 0.30 -1.14 0.02 0.00 0.00 175.30 174.63 1t7j s GLN 58 N 0.87 4.13 -0.14 3.54 0.74 0.16 -0.74 119.66 128.21 1t7j s GLN 58 Ca 0.03 0.00 0.01 0.00 0.05 0.00 0.00 55.36 55.45 1t7j s GLN 58 Cb -0.14 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 1t7j s GLN 58 CO 0.02 -0.00 -0.16 0.71 -0.55 0.00 0.00 175.29 175.31 1t7j s TYR 59 N 1.23 2.76 0.24 1.67 1.51 -0.22 -1.91 117.35 122.62 1t7j s TYR 59 Ca 0.14 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.27 1t7j s TYR 59 Cb -0.14 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1t7j s TYR 59 CO 0.07 -0.39 0.44 -0.51 -1.11 0.00 0.00 175.55 174.04 1t7j s ASP 60 N 0.61 6.38 -1.15 2.29 1.01 -1.26 -0.78 116.67 123.76 1t7j s ASP 60 Ca -0.09 0.43 -0.28 0.00 0.71 0.00 0.00 52.55 53.33 1t7j s ASP 60 Cb -0.16 -2.02 0.03 0.00 1.01 0.00 0.00 42.92 41.77 1t7j s ASP 60 CO 0.03 -0.11 0.71 1.67 0.21 0.00 0.00 175.17 177.69 1t7j n GLN 61 N -0.92 -0.63 -3.90 8.23 -0.06 -1.15 -4.89 117.38 114.07 1t7j n GLN 61 Ca -0.05 0.26 -0.35 0.00 -2.00 0.00 0.00 57.00 54.86 1t7j n GLN 61 Cb 0.54 -3.00 -0.09 0.00 -4.06 0.00 0.00 30.24 23.64 1t7j n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1t7j s ILE 62 N -3.46 5.05 -0.07 1.69 -1.09 0.14 -4.73 121.20 118.74 1t7j s ILE 62 Ca 0.45 0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.63 1t7j s ILE 62 Cb -0.22 -3.28 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1t7j s ILE 62 CO 0.93 0.46 1.03 -2.84 -1.23 0.00 0.00 174.94 173.29 1t7j s PRO 63 N 0.33 4.45 -0.01 2.79 0.02 -1.26 -1.71 135.00 139.61 1t7j s PRO 63 Ca 0.05 1.45 0.01 0.00 0.02 0.00 0.00 61.00 62.53 1t7j s PRO 63 Cb -0.12 -3.51 0.00 0.00 0.02 0.00 0.00 34.50 30.89 1t7j s PRO 63 CO -0.01 -0.26 -0.03 0.42 -0.33 0.00 0.00 177.00 176.79 1t7j s ILE 64 N 1.74 0.28 -0.20 2.83 1.01 0.50 -4.62 121.20 122.74 1t7j s ILE 64 Ca 0.51 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 1t7j s ILE 64 Cb -0.20 -0.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.99 1t7j s ILE 64 CO 0.21 0.09 -0.02 -0.70 0.00 0.00 0.00 174.94 174.53 1t7j s GLU 65 N 0.08 3.54 -0.33 2.79 2.12 -0.83 -0.78 118.70 125.29 1t7j s GLU 65 Ca -0.00 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1t7j s GLU 65 Cb -0.03 -3.03 0.09 0.00 0.26 0.00 0.00 34.13 31.41 1t7j s GLU 65 CO -0.00 -0.03 0.05 0.42 -0.54 0.00 0.00 175.26 175.16 1t7j s ILE 66 N 1.07 2.58 -1.32 -3.70 1.01 0.49 -0.89 121.20 120.45 1t7j s ILE 66 Ca 0.02 -2.01 -0.01 0.00 0.00 0.00 0.00 60.65 58.65 1t7j s ILE 66 Cb -0.14 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 1t7j s ILE 66 CO 0.01 -0.44 0.63 0.00 0.00 0.00 0.00 174.94 175.14 1t7j n GLY 68 N -1.69 0.58 3.47 0.00 0.00 -1.26 -5.00 105.19 101.29 1t7j n GLY 68 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1t7j n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1t7j s HIS 69 N -2.58 3.04 0.11 1.61 4.02 -0.59 -5.10 115.29 115.80 1t7j s HIS 69 Ca 0.00 -0.40 -0.24 0.00 1.02 0.00 0.00 55.06 55.44 1t7j s HIS 69 Cb 0.00 -2.04 -0.07 0.00 -1.02 0.00 0.00 32.58 29.44 1t7j s HIS 69 CO 0.00 -0.17 0.73 0.15 1.02 0.00 0.00 174.74 176.47 1t7j s LYS 70 N 0.79 4.47 0.02 1.40 -0.14 -1.26 -0.38 119.74 124.65 1t7j s LYS 70 Ca -0.00 1.04 -0.01 0.00 -1.36 0.00 0.00 55.97 55.63 1t7j s LYS 70 Cb -0.14 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.71 1t7j s LYS 70 CO 0.02 0.51 0.00 0.00 -0.76 0.00 0.00 175.35 175.12 1t7j s ALA 71 N -0.86 0.11 -0.14 5.17 0.00 0.04 -4.74 121.76 121.34 1t7j s ALA 71 Ca 0.35 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.64 1t7j s ALA 71 Cb -0.22 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1t7j s ALA 71 CO 0.24 -0.21 0.08 0.42 0.00 0.00 0.00 175.76 176.28 1t7j s ILE 72 N -1.91 -0.02 0.00 0.00 1.01 -1.26 -0.37 121.20 118.65 1t7j s ILE 72 Ca -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1t7j s ILE 72 Cb -0.06 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.88 1t7j s ILE 72 CO -0.02 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.36 1t7j n GLY 73 N 5.26 1.92 3.74 6.18 0.00 -0.69 -4.77 105.19 116.83 1t7j n GLY 73 Ca -0.06 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1t7j n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t7j s THR 74 N -2.67 3.78 -0.07 2.61 2.01 -1.26 0.24 115.64 120.28 1t7j s THR 74 Ca 0.00 1.59 0.00 0.00 0.31 0.00 0.00 61.69 63.59 1t7j s THR 74 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1t7j s THR 74 CO 0.00 0.30 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.50 1t7j s VAL 75 N -0.45 0.60 -0.17 3.82 1.01 0.04 -4.56 120.40 120.69 1t7j s VAL 75 Ca 0.48 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1t7j s VAL 75 Cb -0.30 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1t7j s VAL 75 CO 0.36 0.27 0.16 -0.76 0.00 0.00 0.00 175.10 175.13 1t7j s LEU 76 N 1.39 4.26 -0.11 3.92 1.43 -0.39 -1.06 118.68 128.13 1t7j s LEU 76 Ca -0.03 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1t7j s LEU 76 Cb -0.13 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1t7j s LEU 76 CO -0.03 0.23 -0.18 -0.69 0.23 0.00 0.00 176.35 175.91 1t7j s VAL 77 N 0.00 2.57 -1.03 -1.59 1.01 0.08 0.13 120.40 121.57 1t7j s VAL 77 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1t7j s VAL 77 Cb -0.12 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1t7j s VAL 77 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1t7j n GLY 78 N 3.44 -1.28 3.35 4.51 0.00 -0.42 -0.25 105.19 114.54 1t7j n GLY 78 Ca -0.18 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1t7j n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1t7j n PRO 79 N -0.01 1.35 -4.15 1.61 -0.04 -1.26 -3.74 135.00 128.76 1t7j n PRO 79 Ca 0.00 -2.01 -0.32 0.00 -0.04 0.00 0.00 63.50 61.12 1t7j n PRO 79 Cb 0.00 -3.25 -0.07 0.00 -0.04 0.00 0.00 33.50 30.13 1t7j n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1t7j s THR 80 N 8.14 4.48 -1.17 0.52 -1.32 -1.26 -4.99 115.64 120.04 1t7j s THR 80 Ca 0.64 -0.57 0.13 0.00 -1.21 0.00 0.00 61.69 60.69 1t7j s THR 80 Cb 0.08 -3.06 0.16 0.00 -1.51 0.00 0.00 72.50 68.17 1t7j s THR 80 CO 0.15 0.30 1.40 -0.81 -2.21 0.00 0.00 174.62 173.45 1t7j n PRO 81 N 1.08 0.08 -3.61 7.08 -0.04 -1.26 -4.80 135.00 133.52 1t7j n PRO 81 Ca -0.13 0.23 -0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1t7j n PRO 81 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1t7j n PRO 81 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1t7j s THR 82 N -2.83 0.00 0.09 0.52 -1.32 -1.26 -5.13 115.64 105.71 1t7j s THR 82 Ca 0.09 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.26 1t7j s THR 82 Cb 0.09 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 70.01 1t7j s THR 82 CO 0.23 0.00 1.38 0.20 -2.21 0.00 0.00 174.62 174.22 1t7j s ASN 83 N -1.48 6.85 -0.03 8.08 0.01 -1.26 -4.75 114.94 122.36 1t7j s ASN 83 Ca 0.06 2.27 0.02 0.00 -0.71 0.00 0.00 52.86 54.51 1t7j s ASN 83 Cb -0.01 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1t7j s ASN 83 CO -0.04 -0.65 -0.08 0.68 -1.51 0.00 0.00 177.10 175.49 1t7j s VAL 84 N 1.32 0.72 -0.30 1.60 -7.23 0.13 -1.09 120.40 115.56 1t7j s VAL 84 Ca 0.64 -0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 60.35 1t7j s VAL 84 Cb -0.35 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 1t7j s VAL 84 CO 0.30 0.23 0.33 -0.63 -0.31 0.00 0.00 175.10 175.02 1t7j s ILE 85 N 0.25 5.20 0.63 -0.62 -1.09 -0.10 -1.37 121.20 124.09 1t7j s ILE 85 Ca -0.04 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1t7j s ILE 85 Cb -0.09 -3.72 0.12 0.00 -1.58 0.00 0.00 42.46 37.19 1t7j s ILE 85 CO 0.00 0.07 0.86 0.61 -1.23 0.00 0.00 174.94 175.25 1t7j n GLY 86 N 4.87 0.98 0.39 6.18 0.00 -1.21 -1.57 105.19 114.83 1t7j n GLY 86 Ca -0.10 -2.07 0.18 0.00 0.00 0.00 0.00 46.02 44.03 1t7j n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1t7j h ARG 87 N 0.00 0.26 -0.59 1.61 3.08 -1.18 -1.36 114.38 116.20 1t7j h ARG 87 Ca -0.29 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 59.86 1t7j h ARG 87 Cb 1.11 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 1t7j h ARG 87 CO 0.33 0.17 0.40 -2.95 -1.07 0.00 0.00 179.97 176.85 1t7j h ASN 88 N 0.27 0.29 0.00 7.04 -1.07 -1.78 -1.82 115.58 118.51 1t7j h ASN 88 Ca 0.35 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.38 1t7j h ASN 88 Cb 0.99 -0.05 -0.07 0.00 -2.07 0.00 0.00 38.32 37.12 1t7j h ASN 88 CO -0.08 0.17 -2.30 0.18 0.07 0.00 0.00 177.43 175.47 1t7j n LEU 89 N -4.46 0.20 -0.34 6.14 4.77 -0.84 -4.23 117.00 118.24 1t7j n LEU 89 Ca 0.10 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1t7j n LEU 89 Cb 0.42 0.38 0.09 0.00 -2.33 0.00 0.00 43.42 41.98 1t7j n LEU 89 CO 0.34 0.49 1.26 -0.07 -1.33 0.00 0.00 177.39 178.09 1t7j h LEU 90 N 0.00 1.06 -1.23 2.23 3.38 -0.99 -1.84 115.31 117.93 1t7j h LEU 90 Ca -0.51 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 1t7j h LEU 90 Cb 2.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1t7j h LEU 90 CO 0.02 0.77 -0.22 0.71 0.09 0.00 0.00 178.44 179.80 1t7j h THR 91 N 1.25 1.23 -0.30 0.22 1.35 -1.55 -0.92 112.91 114.19 1t7j h THR 91 Ca 0.34 -1.05 -0.08 0.00 -0.55 0.00 0.00 66.41 65.07 1t7j h THR 91 Cb -0.15 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.62 1t7j h THR 91 CO -0.07 0.32 -0.15 1.56 -0.25 0.00 0.00 175.52 176.93 1t7j h GLN 92 N 0.23 0.51 -0.62 4.72 4.20 -1.51 -2.52 115.11 120.13 1t7j h GLN 92 Ca 0.04 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1t7j h GLN 92 Cb 0.53 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1t7j h GLN 92 CO 0.04 0.65 0.00 0.44 -0.67 0.00 0.00 178.83 179.28 1t7j n ILE 93 N -4.18 1.39 -2.39 2.54 -5.35 -1.05 -4.93 119.36 105.39 1t7j n ILE 93 Ca 0.00 -0.88 -0.14 0.00 -0.27 0.00 0.00 62.75 61.47 1t7j n ILE 93 Cb 0.34 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1t7j n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t7j n GLY 94 N 0.90 -0.15 3.74 3.28 0.00 -0.95 -4.99 105.19 107.02 1t7j n GLY 94 Ca 0.19 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1t7j n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t7j s THR 96 N -0.76 0.23 -0.11 0.00 -1.32 -1.26 -4.68 115.64 107.74 1t7j s THR 96 Ca 0.44 -1.84 -0.06 0.00 -1.21 0.00 0.00 61.69 59.02 1t7j s THR 96 Cb -0.26 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.06 1t7j s THR 96 CO 0.33 -0.89 0.11 -0.76 -2.21 0.00 0.00 174.62 171.19 1t7j s LEU 97 N -2.95 4.19 0.00 9.08 1.43 -1.26 -5.10 118.68 124.07 1t7j s LEU 97 Ca 0.10 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1t7j s LEU 97 Cb 0.08 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1t7j s LEU 97 CO -0.07 0.40 -0.04 0.20 0.23 0.00 0.00 176.35 177.07 1t7j s ASN 98 N -0.99 0.44 0.00 2.29 0.01 -1.26 -5.29 114.94 110.14 1t7j s ASN 98 Ca 0.15 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1t7j s ASN 98 Cb -0.12 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.52 1t7j s ASN 98 CO 0.04 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.83