#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 3.09 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.46 1t7j s GLN 2 Ca 0.00 -0.78 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 1t7j s GLN 2 Cb 0.00 -2.73 -0.02 0.00 1.10 0.00 0.00 33.01 31.36 1t7j s GLN 2 CO 0.00 -0.22 0.00 0.42 -0.55 0.00 0.00 175.29 174.95 1t7j s ILE 3 N 1.35 3.96 0.66 -2.34 1.01 -1.26 -5.11 121.20 119.47 1t7j s ILE 3 Ca 0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1t7j s ILE 3 Cb -0.14 -2.80 0.04 0.00 0.01 0.00 0.00 42.46 39.58 1t7j s ILE 3 CO -0.10 0.42 0.97 0.42 0.00 0.00 0.00 174.94 176.65 1t7j s THR 4 N 1.08 2.69 -0.31 2.92 -4.23 -1.26 -5.03 115.64 111.51 1t7j s THR 4 Ca 0.02 -0.22 0.15 0.00 -1.18 0.00 0.00 61.69 60.47 1t7j s THR 4 Cb -0.14 -3.13 0.47 0.00 1.34 0.00 0.00 72.50 71.03 1t7j s THR 4 CO 0.02 -0.13 1.37 0.18 -0.54 0.00 0.00 174.62 175.51 1t7j n LEU 5 N -2.79 3.59 -0.12 4.79 4.77 -1.26 -4.56 117.00 121.42 1t7j n LEU 5 Ca 0.07 -2.82 0.10 0.00 -0.03 0.00 0.00 56.01 53.33 1t7j n LEU 5 Cb 0.60 -0.47 0.46 0.00 -2.33 0.00 0.00 43.42 41.67 1t7j n LEU 5 CO 0.52 0.68 1.20 -0.50 -1.33 0.00 0.00 177.39 177.96 1t7j h TRP 6 N 1.70 0.54 -2.70 -1.77 4.06 -2.06 -3.42 115.95 112.30 1t7j h TRP 6 Ca 0.00 0.01 -0.49 0.00 2.06 0.00 0.00 58.89 60.47 1t7j h TRP 6 Cb 1.27 -0.18 -0.14 0.00 -1.00 0.00 0.00 29.16 29.12 1t7j h TRP 6 CO 0.41 0.26 -0.61 0.15 -3.56 0.00 0.00 178.44 175.09 1t7j s LYS 7 N -5.48 1.68 0.28 0.49 1.02 -1.26 -5.11 119.74 111.36 1t7j s LYS 7 Ca -0.08 -1.93 -0.30 0.00 0.02 0.00 0.00 55.97 53.68 1t7j s LYS 7 Cb 0.20 -0.97 -0.12 0.00 -0.52 0.00 0.00 37.83 36.41 1t7j s LYS 7 CO 0.76 -0.16 1.60 0.54 -0.92 0.00 0.00 175.35 177.17 1t7j n ARG 8 N -0.71 2.67 -1.27 1.68 1.74 -1.26 -4.84 116.66 114.67 1t7j n ARG 8 Ca -0.03 0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 57.59 1t7j n ARG 8 Cb 0.66 -2.74 -0.04 0.00 -1.02 0.00 0.00 32.46 29.33 1t7j n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1t7j n PRO 9 N 2.32 1.91 -2.88 5.56 -0.04 -1.26 -4.93 135.00 135.69 1t7j n PRO 9 Ca 0.09 -2.01 -0.40 0.00 -0.04 0.00 0.00 63.50 61.14 1t7j n PRO 9 Cb 0.36 -2.98 -0.05 0.00 -0.04 0.00 0.00 33.50 30.79 1t7j n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1t7j s LEU 10 N 1.33 4.52 0.18 1.53 1.43 -1.26 -1.31 118.68 125.09 1t7j s LEU 10 Ca 0.54 1.65 -0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1t7j s LEU 10 Cb 0.14 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1t7j s LEU 10 CO 0.05 0.05 0.08 0.68 0.23 0.00 0.00 176.35 177.44 1t7j s VAL 11 N -0.39 0.20 -0.15 -1.59 -7.23 0.42 -4.93 120.40 106.72 1t7j s VAL 11 Ca 0.41 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 1t7j s VAL 11 Cb -0.22 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1t7j s VAL 11 CO 0.27 -0.24 0.28 -0.89 -0.31 0.00 0.00 175.10 174.20 1t7j s THR 12 N -4.00 5.31 0.10 5.32 2.01 -1.26 -0.55 115.64 122.56 1t7j s THR 12 Ca 0.31 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.91 1t7j s THR 12 Cb 0.07 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1t7j s THR 12 CO 0.07 0.41 -0.21 0.27 -0.69 0.00 0.00 174.62 174.47 1t7j s ILE 13 N 0.32 1.72 -0.14 1.82 -4.36 0.33 -2.13 121.20 118.76 1t7j s ILE 13 Ca 0.16 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 1t7j s ILE 13 Cb -0.13 -1.56 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 1t7j s ILE 13 CO 0.04 -0.04 -0.15 -0.13 0.24 0.00 0.00 174.94 174.90 1t7j s ARG 14 N -1.86 3.27 -0.15 0.37 3.00 0.64 -0.49 118.95 123.73 1t7j s ARG 14 Ca 0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 55.73 55.01 1t7j s ARG 14 Cb -0.10 -2.60 0.07 0.00 0.00 0.00 0.00 34.95 32.33 1t7j s ARG 14 CO 0.04 0.11 0.28 -1.50 0.00 0.00 0.00 175.30 174.24 1t7j s ILE 15 N 0.58 -0.45 -1.28 1.52 2.07 0.20 -1.48 121.20 122.37 1t7j s ILE 15 Ca -0.09 0.22 -0.00 0.00 -1.41 0.00 0.00 60.65 59.37 1t7j s ILE 15 Cb -0.16 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.92 1t7j s ILE 15 CO 0.03 0.07 0.79 0.61 -1.91 0.00 0.00 174.94 174.54 1t7j n GLY 16 N 5.35 -0.31 3.93 1.50 0.00 -1.26 -0.88 105.19 113.53 1t7j n GLY 16 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.44 1.61 3.81 -0.02 0.00 -1.26 -4.95 105.19 102.93 1t7j n GLY 17 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1t7j n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1t7j s GLN 18 N 0.00 3.95 -0.15 1.61 -0.21 -0.05 -5.08 119.66 119.72 1t7j s GLN 18 Ca 0.00 0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.56 1t7j s GLN 18 Cb 0.00 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.70 1t7j s GLN 18 CO 0.00 0.55 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.17 1t7j s LEU 19 N -0.52 3.25 0.13 2.90 1.43 -1.26 0.60 118.68 125.22 1t7j s LEU 19 Ca 0.20 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1t7j s LEU 19 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1t7j s LEU 19 CO 0.09 0.18 0.00 -0.54 0.23 0.00 0.00 176.35 176.30 1t7j s LYS 20 N 0.32 0.96 -0.17 1.70 1.02 0.35 -4.94 119.74 118.97 1t7j s LYS 20 Ca -0.04 -1.44 -0.18 0.00 0.02 0.00 0.00 55.97 54.34 1t7j s LYS 20 Cb -0.14 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 1t7j s LYS 20 CO 0.03 -0.14 0.47 -1.83 -0.92 0.00 0.00 175.35 172.95 1t7j s GLU 21 N -3.94 4.24 0.05 1.68 4.04 -1.26 -0.51 118.70 123.00 1t7j s GLU 21 Ca 0.20 0.36 0.03 0.00 0.04 0.00 0.00 54.97 55.60 1t7j s GLU 21 Cb 0.06 -3.51 -0.02 0.00 0.02 0.00 0.00 34.13 30.68 1t7j s GLU 21 CO 0.00 -0.00 -0.09 0.00 -1.84 0.00 0.00 175.26 173.33 1t7j s ALA 22 N 1.16 0.64 -0.06 -0.84 0.00 0.28 -4.59 121.76 118.35 1t7j s ALA 22 Ca 0.23 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 51.18 1t7j s ALA 22 Cb -0.15 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1t7j s ALA 22 CO 0.09 0.00 0.63 -1.17 0.00 0.00 0.00 175.76 175.32 1t7j s LEU 23 N -1.59 4.33 -0.33 0.00 2.96 -0.47 -0.44 118.68 123.14 1t7j s LEU 23 Ca -0.09 1.11 -0.28 0.00 -0.22 0.00 0.00 54.13 54.64 1t7j s LEU 23 Cb -0.10 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.64 1t7j s LEU 23 CO 0.01 -0.05 1.05 -0.76 -1.32 0.00 0.00 176.35 175.28 1t7j s LEU 24 N 0.55 3.93 -0.30 -0.68 1.43 -0.43 -0.22 118.68 122.97 1t7j s LEU 24 Ca 0.34 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1t7j s LEU 24 Cb -0.17 -3.49 0.09 0.00 0.03 0.00 0.00 46.19 42.65 1t7j s LEU 24 CO 0.16 -0.89 0.07 -0.62 0.23 0.00 0.00 176.35 175.30 1t7j s ASP 25 N 1.73 4.09 0.37 2.29 3.68 -0.27 -4.78 116.67 123.78 1t7j s ASP 25 Ca 0.44 -1.64 0.27 0.00 2.13 0.00 0.00 52.55 53.76 1t7j s ASP 25 Cb -0.12 -1.04 1.24 0.00 -1.45 0.00 0.00 42.92 41.56 1t7j s ASP 25 CO 0.17 -0.38 1.82 0.71 0.13 0.00 0.00 175.17 177.62 1t7j h THR 26 N 6.54 0.00 0.00 1.71 1.35 -1.94 -2.32 112.91 118.24 1t7j h THR 26 Ca -0.12 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1t7j h THR 26 Cb 1.03 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1t7j h THR 26 CO 0.47 0.00 -0.35 0.61 -0.25 0.00 0.00 175.52 175.99 1t7j n GLY 27 N -0.35 -1.50 3.62 5.82 0.00 -1.26 -4.77 105.19 106.75 1t7j n GLY 27 Ca 0.01 -0.17 -0.38 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 -3.11 3.56 0.15 4.61 0.00 -0.87 -4.96 121.76 121.13 1t7j s ALA 28 Ca 0.09 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1t7j s ALA 28 Cb 0.14 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1t7j s ALA 28 CO 0.66 -0.51 1.59 -0.44 0.00 0.00 0.00 175.76 177.06 1t7j h ASP 29 N 7.94 0.87 -3.06 0.00 3.32 -1.86 -0.20 116.42 123.43 1t7j h ASP 29 Ca -0.34 -0.32 -0.50 0.00 0.02 0.00 0.00 57.03 55.89 1t7j h ASP 29 Cb 1.17 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.33 1t7j h ASP 29 CO 0.65 0.98 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.59 1t7j s ASP 30 N -6.41 2.81 0.27 6.45 1.01 -1.26 -2.48 116.67 117.06 1t7j s ASP 30 Ca -0.12 -0.99 -0.29 0.00 0.71 0.00 0.00 52.55 51.85 1t7j s ASP 30 Cb 0.12 -0.18 -0.09 0.00 1.01 0.00 0.00 42.92 43.78 1t7j s ASP 30 CO 0.83 -0.10 1.00 -0.89 0.21 0.00 0.00 175.17 176.22 1t7j s THR 31 N -2.70 3.85 -0.09 -1.27 2.01 -1.26 -4.10 115.64 112.08 1t7j s THR 31 Ca 0.23 1.83 -0.02 0.00 0.31 0.00 0.00 61.69 64.04 1t7j s THR 31 Cb -0.03 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1t7j s THR 31 CO 0.09 0.41 0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 1t7j s VAL 32 N -1.22 0.39 0.19 3.82 1.01 -0.25 -0.94 120.40 123.40 1t7j s VAL 32 Ca 0.43 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.50 1t7j s VAL 32 Cb -0.28 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1t7j s VAL 32 CO 0.35 0.18 0.01 -0.76 0.00 0.00 0.00 175.10 174.87 1t7j s LEU 33 N 1.96 3.32 0.82 3.92 2.01 0.20 -0.93 118.68 129.98 1t7j s LEU 33 Ca 0.04 -0.43 -0.11 0.00 0.01 0.00 0.00 54.13 53.65 1t7j s LEU 33 Cb -0.13 -1.95 0.09 0.00 0.01 0.00 0.00 46.19 44.21 1t7j s LEU 33 CO -0.06 0.07 1.12 -0.70 1.01 0.00 0.00 176.35 177.79 1t7j s GLU 34 N -3.09 1.79 0.15 1.70 2.12 -1.26 -2.03 118.70 118.09 1t7j s GLU 34 Ca 0.28 1.36 -0.33 0.00 0.36 0.00 0.00 54.97 56.64 1t7j s GLU 34 Cb -0.09 -1.83 -0.17 0.00 0.26 0.00 0.00 34.13 32.30 1t7j s GLU 34 CO 0.19 -2.03 0.97 0.39 -0.54 0.00 0.00 175.26 174.25 1t7j n GLU 35 N -3.71 0.65 -3.61 4.30 -0.58 -1.11 -4.59 120.64 111.99 1t7j n GLU 35 Ca 0.10 0.23 -0.10 0.00 -0.42 0.00 0.00 57.16 56.98 1t7j n GLU 35 Cb 0.52 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 1t7j n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1t7j s MET 36 N -0.55 0.53 -1.04 3.49 0.23 -1.26 -5.03 119.30 115.67 1t7j s MET 36 Ca 0.73 0.37 -0.21 0.00 -1.03 0.00 0.00 55.69 55.55 1t7j s MET 36 Cb -0.95 0.25 0.07 0.00 -1.53 0.00 0.00 34.83 32.68 1t7j s MET 36 CO 0.55 -0.12 1.42 1.21 -2.03 0.00 0.00 175.02 176.06 1t7j s ASN 37 N -0.40 6.58 0.12 -1.18 3.04 -1.26 -4.99 114.94 116.85 1t7j s ASN 37 Ca 0.01 -1.73 -0.17 0.00 0.04 0.00 0.00 52.86 51.01 1t7j s ASN 37 Cb -0.03 -2.53 -0.07 0.00 -1.54 0.00 0.00 41.25 37.08 1t7j s ASN 37 CO -0.03 -1.36 0.57 -0.76 -3.04 0.00 0.00 177.10 172.48 1t7j s LEU 38 N 4.36 4.43 0.64 3.21 1.43 -1.26 -5.07 118.68 126.42 1t7j s LEU 38 Ca 0.44 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 1t7j s LEU 38 Cb -0.00 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1t7j s LEU 38 CO -0.07 0.18 1.04 -2.16 0.23 0.00 0.00 176.35 175.57 1t7j s PRO 39 N -1.55 3.39 0.00 1.29 0.04 -1.26 -4.97 135.00 131.94 1t7j s PRO 39 Ca 0.34 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1t7j s PRO 39 Cb -0.17 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1t7j s PRO 39 CO 0.19 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1t7j n GLY 40 N -2.66 2.09 3.83 0.56 0.00 -1.26 -5.02 105.19 102.73 1t7j n GLY 40 Ca 0.06 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1t7j n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t7j s ARG 41 N -2.28 3.95 0.16 1.61 3.00 -1.26 -5.07 118.95 119.06 1t7j s ARG 41 Ca 0.00 1.03 -0.06 0.00 0.00 0.00 0.00 55.73 56.71 1t7j s ARG 41 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 34.95 32.79 1t7j s ARG 41 CO 0.00 -0.27 0.20 1.67 0.00 0.00 0.00 175.30 176.90 1t7j s TRP 42 N -2.48 0.62 -0.05 -0.53 1.48 -1.26 -4.63 118.94 112.09 1t7j s TRP 42 Ca 0.60 -0.98 0.04 0.00 -1.06 0.00 0.00 56.10 54.70 1t7j s TRP 42 Cb -0.11 -0.24 0.00 0.00 -1.16 0.00 0.00 33.47 31.97 1t7j s TRP 42 CO 0.27 -0.65 -0.17 0.21 -4.06 0.00 0.00 176.95 172.55 1t7j s LYS 43 N -4.01 1.88 0.50 3.25 2.47 -0.52 -4.89 119.74 118.42 1t7j s LYS 43 Ca 0.21 -0.59 -0.22 0.00 -1.56 0.00 0.00 55.97 53.81 1t7j s LYS 43 Cb 0.05 -1.59 -0.06 0.00 -1.46 0.00 0.00 37.83 34.77 1t7j s LYS 43 CO 0.02 0.19 1.23 -1.25 0.16 0.00 0.00 175.35 175.69 1t7j s PRO 44 N 0.21 3.48 0.08 4.03 0.04 -1.26 -0.29 135.00 141.29 1t7j s PRO 44 Ca -0.08 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.66 1t7j s PRO 44 Cb -0.13 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.16 1t7j s PRO 44 CO 0.03 -0.82 0.53 0.21 0.04 0.00 0.00 177.00 177.00 1t7j s LYS 45 N -2.84 1.11 -0.13 4.56 2.20 -0.50 -4.86 119.74 119.28 1t7j s LYS 45 Ca 0.68 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 1t7j s LYS 45 Cb -0.32 0.51 0.01 0.00 -1.51 0.00 0.00 37.83 36.51 1t7j s LYS 45 CO 0.38 -0.43 -0.22 -1.64 -0.36 0.00 0.00 175.35 173.09 1t7j s MET 46 N -2.93 2.99 0.05 4.03 -1.94 -1.26 -0.56 119.30 119.68 1t7j s MET 46 Ca -0.03 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.18 1t7j s MET 46 Cb -0.00 -2.39 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 1t7j s MET 46 CO -0.06 0.01 -0.20 0.96 -0.01 0.00 0.00 175.02 175.73 1t7j s ILE 47 N 0.75 1.61 0.16 2.53 -4.36 -0.87 -4.96 121.20 116.06 1t7j s ILE 47 Ca -0.09 -1.23 0.07 0.00 -0.26 0.00 0.00 60.65 59.15 1t7j s ILE 47 Cb -0.16 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.10 1t7j s ILE 47 CO -0.00 0.14 -0.16 -0.83 0.24 0.00 0.00 174.94 174.33 1t7j s GLY 48 N -1.29 1.29 0.00 6.27 0.00 -1.26 -1.13 107.32 111.20 1t7j s GLY 48 Ca 0.07 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1t7j s GLY 48 CO 0.02 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1t7j n GLY 49 N 0.19 3.70 3.69 0.20 0.00 0.21 -4.97 105.19 108.21 1t7j n GLY 49 Ca -0.13 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1t7j n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t7j s ILE 50 N -0.51 3.66 0.00 -0.61 1.01 -1.26 -2.05 121.20 121.44 1t7j s ILE 50 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1t7j s ILE 50 Cb 0.00 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1t7j s ILE 50 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1t7j n GLY 51 N 3.67 1.22 0.00 6.18 0.00 -1.26 -4.97 105.19 110.04 1t7j n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 0.49 3.75 -0.02 0.00 -0.87 -5.09 105.19 101.45 1t7j n GLY 52 Ca 0.00 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.63 3.00 0.04 1.61 0.40 -1.26 -0.61 117.98 120.53 1t7j s PHE 53 Ca 0.00 -0.10 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1t7j s PHE 53 Cb 0.00 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1t7j s PHE 53 CO 0.00 0.53 -0.07 0.96 0.70 0.00 0.00 175.22 177.35 1t7j s ILE 54 N -1.89 0.46 -0.07 0.64 -4.36 -0.28 -4.97 121.20 110.72 1t7j s ILE 54 Ca 0.30 -1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 59.33 1t7j s ILE 54 Cb -0.09 -0.70 -0.05 0.00 1.25 0.00 0.00 42.46 42.87 1t7j s ILE 54 CO 0.22 -0.49 0.50 -0.75 0.24 0.00 0.00 174.94 174.66 1t7j s LYS 55 N -1.91 4.28 0.21 0.37 2.20 -1.26 -2.04 119.74 121.59 1t7j s LYS 55 Ca -0.08 0.52 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 1t7j s LYS 55 Cb -0.08 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1t7j s LYS 55 CO -0.01 0.28 -0.00 0.14 -0.36 0.00 0.00 175.35 175.40 1t7j s VAL 56 N 0.20 0.92 -0.19 4.02 -7.23 0.28 -4.40 120.40 113.99 1t7j s VAL 56 Ca 0.27 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 1t7j s VAL 56 Cb -0.16 -2.28 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1t7j s VAL 56 CO 0.12 -0.36 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.40 1t7j s ARG 57 N -3.88 3.60 -0.23 4.82 0.52 0.13 -1.41 118.95 122.51 1t7j s ARG 57 Ca 0.27 -0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 54.77 1t7j s ARG 57 Cb 0.06 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1t7j s ARG 57 CO 0.07 0.06 0.51 -1.14 0.02 0.00 0.00 175.30 174.82 1t7j s GLN 58 N 0.86 4.14 -0.01 3.54 0.74 0.60 -0.91 119.66 128.62 1t7j s GLN 58 Ca 0.00 0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.81 1t7j s GLN 58 Cb -0.14 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 1t7j s GLN 58 CO 0.02 -0.23 -0.13 0.71 -0.55 0.00 0.00 175.29 175.11 1t7j s TYR 59 N 1.90 2.72 0.23 1.67 1.51 -0.02 -1.44 117.35 123.93 1t7j s TYR 59 Ca 0.22 -0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.22 1t7j s TYR 59 Cb -0.15 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 1t7j s TYR 59 CO 0.09 0.27 -0.00 -0.51 -1.11 0.00 0.00 175.55 174.29 1t7j s ASP 60 N -1.15 4.63 -1.30 2.29 1.01 -1.26 -0.78 116.67 120.12 1t7j s ASP 60 Ca 0.14 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.84 1t7j s ASP 60 Cb -0.11 -0.91 -0.00 0.00 1.01 0.00 0.00 42.92 42.91 1t7j s ASP 60 CO 0.04 0.03 0.68 0.00 0.21 0.00 0.00 175.17 176.14 1t7j n GLN 61 N -0.62 -4.48 -3.62 8.23 1.13 -1.20 -4.90 117.38 111.92 1t7j n GLN 61 Ca -0.08 0.60 -0.37 0.00 -1.94 0.00 0.00 57.00 55.21 1t7j n GLN 61 Cb 0.58 -5.08 -0.10 0.00 0.11 0.00 0.00 30.24 25.75 1t7j n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1t7j s ILE 62 N -3.68 5.34 0.05 5.09 -1.09 0.01 -4.78 121.20 122.13 1t7j s ILE 62 Ca 0.04 0.21 -0.30 0.00 -2.23 0.00 0.00 60.65 58.37 1t7j s ILE 62 Cb -0.01 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1t7j s ILE 62 CO 0.82 0.31 1.18 -2.84 -1.23 0.00 0.00 174.94 173.18 1t7j s PRO 63 N 1.28 4.43 -0.01 2.79 0.02 -1.26 -1.85 135.00 140.41 1t7j s PRO 63 Ca 0.08 1.73 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 1t7j s PRO 63 Cb -0.14 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1t7j s PRO 63 CO 0.06 -0.26 0.02 -1.50 -0.33 0.00 0.00 177.00 175.00 1t7j s ILE 64 N 1.17 0.00 -0.28 2.83 2.07 0.97 -4.62 121.20 123.34 1t7j s ILE 64 Ca 0.58 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.77 1t7j s ILE 64 Cb -0.28 -0.04 0.02 0.00 0.13 0.00 0.00 42.46 42.28 1t7j s ILE 64 CO 0.28 -0.00 0.03 -0.70 -1.91 0.00 0.00 174.94 172.64 1t7j s GLU 65 N 0.00 2.96 -0.39 3.50 2.12 -0.55 -1.27 118.70 125.08 1t7j s GLU 65 Ca -0.00 -0.92 -0.08 0.00 0.36 0.00 0.00 54.97 54.32 1t7j s GLU 65 Cb -0.00 -3.23 0.06 0.00 0.26 0.00 0.00 34.13 31.23 1t7j s GLU 65 CO 0.00 -0.44 0.21 0.42 -0.54 0.00 0.00 175.26 174.91 1t7j s ILE 66 N 1.42 4.09 -1.16 -3.70 1.01 0.23 -0.26 121.20 122.83 1t7j s ILE 66 Ca 0.01 -1.30 -0.25 0.00 0.00 0.00 0.00 60.65 59.11 1t7j s ILE 66 Cb -0.17 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.87 1t7j s ILE 66 CO -0.00 -0.39 0.77 0.00 0.00 0.00 0.00 174.94 175.31 1t7j n GLY 68 N -1.80 1.03 3.40 0.00 0.00 -1.26 -4.97 105.19 101.59 1t7j n GLY 68 Ca -0.10 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.02 2.91 0.06 1.61 4.02 0.19 -5.09 115.29 116.96 1t7j s HIS 69 Ca 0.00 -0.61 -0.30 0.00 1.02 0.00 0.00 55.06 55.17 1t7j s HIS 69 Cb 0.00 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.58 29.57 1t7j s HIS 69 CO 0.00 -0.24 1.02 -1.59 1.02 0.00 0.00 174.74 174.95 1t7j s LYS 70 N 0.62 4.58 -0.02 1.40 0.00 -1.26 -0.60 119.74 124.46 1t7j s LYS 70 Ca -0.05 1.51 -0.14 0.00 0.00 0.00 0.00 55.97 57.29 1t7j s LYS 70 Cb -0.15 -3.40 0.02 0.00 0.00 0.00 0.00 37.83 34.30 1t7j s LYS 70 CO 0.03 0.01 0.30 0.00 0.00 0.00 0.00 175.35 175.68 1t7j s ALA 71 N 0.61 -0.76 -0.08 0.59 0.00 -0.39 -4.73 121.76 117.00 1t7j s ALA 71 Ca 0.51 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 1t7j s ALA 71 Cb -0.24 0.01 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1t7j s ALA 71 CO 0.29 -0.25 0.16 -1.50 0.00 0.00 0.00 175.76 174.47 1t7j s ILE 72 N -1.17 -0.21 0.00 0.00 1.10 -1.26 -0.02 121.20 119.63 1t7j s ILE 72 Ca -0.12 0.30 0.00 0.00 -0.51 0.00 0.00 60.65 60.32 1t7j s ILE 72 Cb -0.05 -0.29 0.00 0.00 0.15 0.00 0.00 42.46 42.27 1t7j s ILE 72 CO 0.04 0.13 0.00 0.61 -2.11 0.00 0.00 174.94 173.60 1t7j n GLY 73 N 5.03 1.19 3.77 1.50 0.00 -0.77 -4.84 105.19 111.06 1t7j n GLY 73 Ca -0.11 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.32 2.93 -0.06 2.61 2.01 -1.26 -0.81 115.64 118.74 1t7j s THR 74 Ca 0.00 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.68 1t7j s THR 74 Cb 0.00 -3.36 0.04 0.00 0.01 0.00 0.00 72.50 69.19 1t7j s THR 74 CO 0.00 -0.00 0.12 -0.69 -0.69 0.00 0.00 174.62 173.36 1t7j s VAL 75 N -1.50 -0.06 -0.20 3.82 1.01 0.04 -4.54 120.40 118.98 1t7j s VAL 75 Ca 0.64 0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.74 1t7j s VAL 75 Cb -0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1t7j s VAL 75 CO 0.37 0.08 0.10 -0.76 0.00 0.00 0.00 175.10 174.89 1t7j s LEU 76 N 1.21 3.96 -0.15 3.92 1.43 -0.11 -0.84 118.68 128.09 1t7j s LEU 76 Ca -0.09 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1t7j s LEU 76 Cb -0.12 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1t7j s LEU 76 CO -0.05 0.14 -0.17 -0.69 0.23 0.00 0.00 176.35 175.81 1t7j s VAL 77 N 0.58 2.54 0.07 -1.59 1.01 -0.09 0.61 120.40 123.54 1t7j s VAL 77 Ca 0.05 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1t7j s VAL 77 Cb -0.12 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.23 1t7j s VAL 77 CO 0.01 0.52 0.54 0.61 0.00 0.00 0.00 175.10 176.78 1t7j n GLY 78 N 4.10 0.84 2.61 4.51 0.00 -0.86 0.21 105.19 116.60 1t7j n GLY 78 Ca -0.19 -1.01 -0.24 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 -0.38 2.17 -3.24 1.61 -0.04 -1.26 -2.75 135.00 131.11 1t7j n PRO 79 Ca -0.00 -1.52 -0.39 0.00 -0.04 0.00 0.00 63.50 61.55 1t7j n PRO 79 Cb 0.29 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.20 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 3.37 4.75 0.35 0.52 -1.32 -1.26 -4.96 115.64 117.08 1t7j s THR 80 Ca 0.42 1.25 0.07 0.00 -1.21 0.00 0.00 61.69 62.22 1t7j s THR 80 Cb 0.11 -3.92 0.13 0.00 -1.51 0.00 0.00 72.50 67.31 1t7j s THR 80 CO -0.03 0.53 1.86 -0.65 -2.21 0.00 0.00 174.62 174.11 1t7j h PRO 81 N 4.71 0.33 -4.59 7.08 0.11 -1.99 -3.44 132.00 134.22 1t7j h PRO 81 Ca -0.49 -0.09 -0.33 0.00 0.11 0.00 0.00 66.00 65.20 1t7j h PRO 81 Cb 1.21 -0.04 -0.25 0.00 0.11 0.00 0.00 31.00 32.03 1t7j h PRO 81 CO 0.65 0.48 -0.76 0.99 -0.21 0.00 0.00 178.00 179.15 1t7j s THR 82 N -4.68 0.59 0.14 -1.15 2.01 -1.26 -5.09 115.64 106.21 1t7j s THR 82 Ca -0.06 -0.64 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1t7j s THR 82 Cb 0.15 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 1t7j s THR 82 CO 0.75 -0.06 1.11 0.20 -0.69 0.00 0.00 174.62 175.93 1t7j s ASN 83 N -0.77 7.24 -0.07 3.53 0.01 -1.26 -4.79 114.94 118.83 1t7j s ASN 83 Ca -0.02 2.04 0.01 0.00 -0.71 0.00 0.00 52.86 54.18 1t7j s ASN 83 Cb -0.06 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1t7j s ASN 83 CO 0.00 -0.27 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.56 1t7j s VAL 84 N 0.08 0.85 -0.39 1.60 1.01 -0.10 -1.37 120.40 122.07 1t7j s VAL 84 Ca 0.51 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1t7j s VAL 84 Cb -0.29 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1t7j s VAL 84 CO 0.33 0.31 0.45 -0.63 0.00 0.00 0.00 175.10 175.56 1t7j s ILE 85 N 1.18 5.07 0.73 2.22 -1.09 0.70 -1.09 121.20 128.93 1t7j s ILE 85 Ca -0.06 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1t7j s ILE 85 Cb -0.14 -4.00 0.13 0.00 -1.58 0.00 0.00 42.46 36.87 1t7j s ILE 85 CO -0.02 -0.34 1.02 -0.83 -1.23 0.00 0.00 174.94 173.54 1t7j s GLY 86 N 1.80 1.76 0.43 6.18 0.00 -1.26 -1.12 107.32 115.12 1t7j s GLY 86 Ca 0.14 -1.61 0.18 0.00 0.00 0.00 0.00 44.72 43.43 1t7j s GLY 86 CO 0.14 -1.04 1.89 3.21 0.00 0.00 0.00 173.10 177.29 1t7j h ARG 87 N -0.61 0.36 -0.91 2.90 3.08 -1.05 0.52 114.38 118.67 1t7j h ARG 87 Ca -0.38 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 59.77 1t7j h ARG 87 Cb 1.27 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.17 1t7j h ARG 87 CO 0.42 0.24 0.58 -2.95 -1.07 0.00 0.00 179.97 177.19 1t7j h ASN 88 N 0.37 0.76 0.26 7.04 -1.07 -1.74 -0.78 115.58 120.42 1t7j h ASN 88 Ca 0.41 0.04 -0.26 0.00 0.07 0.00 0.00 56.30 56.55 1t7j h ASN 88 Cb 1.04 -0.12 -0.05 0.00 -2.07 0.00 0.00 38.32 37.12 1t7j h ASN 88 CO -0.13 0.41 -1.98 0.18 0.07 0.00 0.00 177.43 175.98 1t7j n LEU 89 N -4.56 0.38 -0.24 6.14 4.77 -0.51 -4.23 117.00 118.75 1t7j n LEU 89 Ca 0.17 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1t7j n LEU 89 Cb 0.39 0.27 0.08 0.00 -2.33 0.00 0.00 43.42 41.83 1t7j n LEU 89 CO 0.30 0.33 0.97 -0.07 -1.33 0.00 0.00 177.39 177.59 1t7j h LEU 90 N 0.00 1.03 -1.36 2.23 3.38 -0.31 -2.45 115.31 117.83 1t7j h LEU 90 Ca -0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1t7j h LEU 90 Cb 1.90 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.36 1t7j h LEU 90 CO 0.04 0.97 0.03 0.71 0.09 0.00 0.00 178.44 180.29 1t7j h THR 91 N 1.05 1.17 -0.58 0.22 1.35 -1.35 -1.96 112.91 112.81 1t7j h THR 91 Ca 0.22 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.44 1t7j h THR 91 Cb 0.33 0.90 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 1t7j h THR 91 CO -0.00 0.22 0.32 1.56 -0.25 0.00 0.00 175.52 177.37 1t7j h GLN 92 N 0.45 0.80 -0.79 4.72 4.20 -1.61 -2.06 115.11 120.82 1t7j h GLN 92 Ca 0.10 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1t7j h GLN 92 Cb 0.25 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1t7j h GLN 92 CO 0.00 0.61 0.00 0.44 -0.67 0.00 0.00 178.83 179.21 1t7j n ILE 93 N -4.60 1.16 -3.25 2.54 -5.35 -1.13 -4.90 119.36 103.82 1t7j n ILE 93 Ca 0.04 -0.60 -0.24 0.00 -0.27 0.00 0.00 62.75 61.68 1t7j n ILE 93 Cb 0.08 -0.37 0.04 0.00 -1.74 0.00 0.00 39.64 37.65 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 0.31 -0.52 3.73 3.28 0.00 -0.78 -4.97 105.19 106.25 1t7j n GLY 94 Ca 0.12 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 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 0.23 1.33 -0.12 0.00 -4.23 -1.26 -4.69 115.64 106.91 1t7j s THR 96 Ca 0.47 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 1t7j s THR 96 Cb -0.22 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 1t7j s THR 96 CO 0.28 0.00 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.54 1t7j s LEU 97 N -3.53 3.15 0.01 4.79 1.43 -1.26 -5.11 118.68 118.16 1t7j s LEU 97 Ca 0.36 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1t7j s LEU 97 Cb 0.09 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1t7j s LEU 97 CO 0.16 0.24 -0.08 0.20 0.23 0.00 0.00 176.35 177.10 1t7j s ASN 98 N -0.08 0.94 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.67 1t7j s ASN 98 Ca 0.01 -0.24 0.00 0.00 -1.57 0.00 0.00 52.86 51.06 1t7j s ASN 98 Cb -0.13 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.02 1t7j s ASN 98 CO 0.03 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.81