#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w n ASP 2 N 0.00 -7.86 -0.06 6.15 -0.08 -1.26 -4.97 116.55 108.46 1t6w n ASP 2 Ca 0.00 0.53 -0.11 0.00 -1.51 0.00 0.00 54.79 53.70 1t6w n ASP 2 Cb 0.00 -5.33 -0.15 0.00 2.34 0.00 0.00 41.12 37.99 1t6w n ASP 2 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1t6w n SER 3 N -0.31 0.61 -3.78 1.67 7.64 -1.02 -5.02 113.62 113.41 1t6w n SER 3 Ca 0.12 0.17 -0.10 0.00 1.01 0.00 0.00 58.87 60.07 1t6w n SER 3 Cb 0.45 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.97 1t6w n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1t6w s GLY 4 N -5.41 0.03 0.02 0.23 0.00 -1.20 -5.00 107.32 96.00 1t6w s GLY 4 Ca -0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 1t6w s GLY 4 CO 0.81 -0.44 -0.01 -1.59 0.00 0.00 0.00 173.10 171.87 1t6w s THR 5 N -3.89 0.13 0.01 0.90 2.01 -1.26 0.12 115.64 113.67 1t6w s THR 5 Ca 0.10 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 1t6w s THR 5 Cb 0.01 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 72.02 1t6w s THR 5 CO -0.04 -0.57 0.08 0.54 -0.69 0.00 0.00 174.62 173.94 1t6w s VAL 6 N -1.88 0.10 -0.10 3.82 0.11 0.73 -4.88 120.40 118.30 1t6w s VAL 6 Ca -0.12 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.13 1t6w s VAL 6 Cb -0.07 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.29 1t6w s VAL 6 CO -0.02 -0.46 -0.24 0.26 -3.33 0.00 0.00 175.10 171.31 1t6w s TRP 7 N -1.68 2.52 0.33 1.54 0.52 -1.25 -1.05 118.94 119.88 1t6w s TRP 7 Ca -0.13 -1.02 -0.02 0.00 0.02 0.00 0.00 56.10 54.95 1t6w s TRP 7 Cb -0.07 -1.69 0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1t6w s TRP 7 CO -0.00 -0.41 0.47 0.41 0.02 0.00 0.00 176.95 177.43 1t6w n GLY 8 N 3.51 2.14 2.99 0.98 0.00 -0.13 -4.99 105.19 109.69 1t6w n GLY 8 Ca -0.19 -1.59 -0.21 0.00 0.00 0.00 0.00 46.02 44.03 1t6w n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w s ALA 9 N -2.69 0.88 0.25 4.61 0.00 -1.26 -0.64 121.76 122.91 1t6w s ALA 9 Ca 0.27 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 1t6w s ALA 9 Cb -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 23.12 22.62 1t6w s ALA 9 CO 0.19 0.13 1.28 -0.11 0.00 0.00 0.00 175.76 177.25 1t6w n LEU 10 N 3.39 2.64 0.00 0.00 7.94 -0.54 -0.99 117.00 129.45 1t6w n LEU 10 Ca -0.19 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 1t6w n LEU 10 Cb 0.54 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1t6w n LEU 10 CO 0.25 -0.80 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 1t6w n GLY 11 N 1.79 1.88 3.85 -3.96 0.00 -0.22 -4.82 105.19 103.71 1t6w n GLY 11 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1t6w n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t6w s HIS 12 N -2.67 2.75 0.11 1.61 5.65 -0.16 -4.52 115.29 118.07 1t6w s HIS 12 Ca 0.00 -0.44 -0.02 0.00 0.25 0.00 0.00 55.06 54.85 1t6w s HIS 12 Cb 0.00 -2.02 0.03 0.00 -1.18 0.00 0.00 32.58 29.40 1t6w s HIS 12 CO 0.00 0.01 0.11 0.41 -0.65 0.00 0.00 174.74 174.62 1t6w n GLY 13 N -1.46 -2.21 0.00 1.59 0.00 -1.26 -1.25 105.19 100.61 1t6w n GLY 13 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1t6w n GLY 13 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1t6w n ILE 14 N -2.62 0.00 -4.95 -0.61 0.13 -1.24 -4.68 119.36 105.39 1t6w n ILE 14 Ca 0.01 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.38 1t6w n ILE 14 Cb 0.06 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 38.69 1t6w n ILE 14 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1t6w s ASP 15 N 0.00 2.53 0.08 9.51 -1.08 -1.26 -1.45 116.67 124.99 1t6w s ASP 15 Ca 0.00 -0.45 -0.25 0.00 -0.52 0.00 0.00 52.55 51.33 1t6w s ASP 15 Cb 0.00 -1.12 -0.06 0.00 -1.46 0.00 0.00 42.92 40.28 1t6w s ASP 15 CO 0.00 0.11 0.78 -0.76 0.52 0.00 0.00 175.17 175.82 1t6w s LEU 16 N 0.44 4.48 -0.18 -1.34 2.01 -0.72 -4.96 118.68 118.41 1t6w s LEU 16 Ca -0.16 1.51 -0.01 0.00 0.01 0.00 0.00 54.13 55.49 1t6w s LEU 16 Cb -0.17 -3.27 0.00 0.00 0.01 0.00 0.00 46.19 42.77 1t6w s LEU 16 CO 0.06 0.05 -0.14 -1.81 1.01 0.00 0.00 176.35 175.53 1t6w s ASP 17 N -0.29 3.65 -0.24 2.29 1.01 -1.26 -3.49 116.67 118.35 1t6w s ASP 17 Ca 0.39 -0.51 -0.28 0.00 0.71 0.00 0.00 52.55 52.86 1t6w s ASP 17 Cb -0.21 -1.58 0.01 0.00 1.01 0.00 0.00 42.92 42.14 1t6w s ASP 17 CO 0.24 0.03 0.98 -0.63 0.21 0.00 0.00 175.17 176.00 1t6w s ILE 18 N 1.17 4.71 0.22 0.77 1.01 -1.26 -5.00 121.20 122.81 1t6w s ILE 18 Ca 0.01 1.86 -0.32 0.00 0.00 0.00 0.00 60.65 62.21 1t6w s ILE 18 Cb -0.14 -4.27 -0.12 0.00 0.01 0.00 0.00 42.46 37.94 1t6w s ILE 18 CO -0.06 -0.18 1.70 -2.65 0.00 0.00 0.00 174.94 173.75 1t6w n PRO 19 N 6.29 2.74 -3.84 2.79 -0.02 -1.26 -3.54 135.00 138.15 1t6w n PRO 19 Ca 0.10 0.99 -0.32 0.00 -2.02 0.00 0.00 63.50 62.25 1t6w n PRO 19 Cb 0.47 -2.82 0.01 0.00 -0.02 0.00 0.00 33.50 31.14 1t6w n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1t6w n ASN 20 N 3.64 -4.83 -3.94 2.55 5.03 -1.26 -4.99 115.26 111.46 1t6w n ASN 20 Ca 0.15 -1.05 -0.10 0.00 0.87 0.00 0.00 54.58 54.45 1t6w n ASN 20 Cb 0.35 -2.10 -0.11 0.00 -1.02 0.00 0.00 39.78 36.90 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1t6w s PHE 21 N -3.25 0.18 -0.09 3.10 5.36 -1.23 -5.05 117.98 117.00 1t6w s PHE 21 Ca 0.24 -0.37 -0.02 0.00 -0.96 0.00 0.00 56.93 55.82 1t6w s PHE 21 Cb -0.12 -0.14 0.04 0.00 -0.34 0.00 0.00 43.02 42.46 1t6w s PHE 21 CO 0.91 -0.21 0.04 -0.65 -1.46 0.00 0.00 175.22 173.86 1t6w s GLN 22 N -1.34 0.25 -1.36 10.12 -0.21 -1.26 -5.01 119.66 120.85 1t6w s GLN 22 Ca -0.15 0.13 -0.16 0.00 0.02 0.00 0.00 55.36 55.20 1t6w s GLN 22 Cb -0.09 -1.04 0.05 0.00 1.00 0.00 0.00 33.01 32.93 1t6w s GLN 22 CO -0.00 -0.41 1.96 -0.12 -2.12 0.00 0.00 175.29 174.61 1t6w n MET 23 N 5.22 2.97 -2.10 2.91 0.00 -1.26 -4.75 117.12 120.11 1t6w n MET 23 Ca -0.06 -2.93 -0.08 0.00 -0.00 0.00 0.00 57.70 54.63 1t6w n MET 23 Cb 0.50 -3.40 0.01 0.00 0.00 0.00 0.00 33.22 30.32 1t6w n MET 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1t6w n THR 24 N 5.85 0.00 0.11 1.12 -2.24 -1.26 -4.83 114.28 113.03 1t6w n THR 24 Ca 0.50 -0.69 0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1t6w n THR 24 Cb 0.43 -0.47 0.52 0.00 -2.10 0.00 0.00 70.33 68.70 1t6w n THR 24 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1t6w h ASP 25 N 0.17 0.27 -0.05 3.42 3.32 -2.03 -1.02 116.42 120.50 1t6w h ASP 25 Ca -0.11 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1t6w h ASP 25 Cb 0.41 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1t6w h ASP 25 CO 0.16 0.20 0.05 -0.78 -1.72 0.00 0.00 179.24 177.15 1t6w h ASP 26 N 0.32 0.00 -3.30 6.45 3.58 -1.94 -3.41 116.42 118.11 1t6w h ASP 26 Ca 0.09 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.99 1t6w h ASP 26 Cb -0.04 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 1t6w h ASP 26 CO -0.02 0.00 0.49 -0.63 -2.88 0.00 0.00 179.24 176.20 1t6w s ILE 27 N -4.79 4.68 -0.12 2.25 -1.09 -0.39 -2.14 121.20 119.61 1t6w s ILE 27 Ca -0.05 1.93 -0.02 0.00 -2.23 0.00 0.00 60.65 60.28 1t6w s ILE 27 Cb 0.16 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.74 1t6w s ILE 27 CO 0.59 0.09 -0.12 -0.67 -1.23 0.00 0.00 174.94 173.60 1t6w n ASP 28 N 4.38 2.14 -3.87 3.58 2.03 0.13 -4.79 116.55 120.15 1t6w n ASP 28 Ca 0.08 0.03 -0.27 0.00 0.52 0.00 0.00 54.79 55.14 1t6w n ASP 28 Cb 0.49 -0.26 -0.17 0.00 -0.72 0.00 0.00 41.12 40.47 1t6w n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1t6w s GLU 29 N -2.22 1.30 -0.30 -0.67 2.12 -1.05 -0.24 118.70 117.63 1t6w s GLU 29 Ca -0.16 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.75 1t6w s GLU 29 Cb 0.05 -1.82 0.04 0.00 0.26 0.00 0.00 34.13 32.66 1t6w s GLU 29 CO 0.24 -0.40 0.03 0.08 -0.54 0.00 0.00 175.26 174.67 1t6w s VAL 30 N 1.70 3.33 -0.16 3.70 1.01 -0.44 -0.70 120.40 128.84 1t6w s VAL 30 Ca 0.02 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 60.78 1t6w s VAL 30 Cb -0.14 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1t6w s VAL 30 CO -0.08 -0.07 -0.02 -0.13 0.00 0.00 0.00 175.10 174.81 1t6w s ARG 31 N 1.34 3.70 -0.75 2.72 0.52 -1.02 0.46 118.95 125.91 1t6w s ARG 31 Ca -0.03 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1t6w s ARG 31 Cb -0.19 -2.95 0.19 0.00 0.52 0.00 0.00 34.95 32.51 1t6w s ARG 31 CO 0.00 0.26 0.60 -1.58 0.02 0.00 0.00 175.30 174.60 1t6w s TRP 32 N 0.31 3.64 0.14 -0.53 0.52 0.86 -1.69 118.94 122.20 1t6w s TRP 32 Ca -0.03 -2.94 0.03 0.00 0.02 0.00 0.00 56.10 53.18 1t6w s TRP 32 Cb -0.14 -3.15 -0.04 0.00 -1.15 0.00 0.00 33.47 28.99 1t6w s TRP 32 CO 0.02 -0.76 0.21 -1.21 0.02 0.00 0.00 176.95 175.24 1t6w s GLU 33 N -0.82 3.21 -0.11 4.98 2.02 -0.31 -1.63 118.70 126.05 1t6w s GLU 33 Ca 0.23 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 1t6w s GLU 33 Cb -0.13 -2.84 0.06 0.00 0.10 0.00 0.00 34.13 31.31 1t6w s GLU 33 CO -0.09 0.52 0.18 0.50 0.02 0.00 0.00 175.26 176.39 1t6w s ARG 34 N -3.07 0.07 6.78 1.61 3.52 -0.78 -0.34 118.95 126.74 1t6w s ARG 34 Ca 0.33 0.52 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1t6w s ARG 34 Cb -0.11 -0.42 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 1t6w s ARG 34 CO 0.26 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 1t6w n GLY 35 N 5.33 3.52 2.23 8.12 0.00 -1.26 -1.54 105.19 121.58 1t6w n GLY 35 Ca -0.05 0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1t6w n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t6w n SER 36 N 8.99 5.43 -3.72 1.61 7.64 -1.26 -5.02 113.62 127.29 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.64 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1t6w s THR 37 N -4.89 0.10 -0.00 0.44 2.01 -0.59 -5.17 115.64 107.54 1t6w s THR 37 Ca 0.52 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1t6w s THR 37 Cb 0.42 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 1t6w s THR 37 CO -0.05 -0.44 0.10 -0.76 -0.69 0.00 0.00 174.62 172.78 1t6w s LEU 38 N -2.83 3.97 -0.03 4.42 1.43 -1.26 -1.87 118.68 122.51 1t6w s LEU 38 Ca 0.04 0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1t6w s LEU 38 Cb 0.03 -2.33 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1t6w s LEU 38 CO -0.12 0.27 -0.03 0.52 0.23 0.00 0.00 176.35 177.22 1t6w n VAL 39 N 1.13 0.19 -3.20 -1.59 0.31 -0.65 -4.62 118.33 109.90 1t6w n VAL 39 Ca -0.13 -0.06 0.04 0.00 -0.01 0.00 0.00 64.34 64.18 1t6w n VAL 39 Cb 0.53 -0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 32.51 1t6w n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t6w s ALA 40 N -2.06 -2.75 -0.26 3.52 0.00 -1.10 -1.38 121.76 117.73 1t6w s ALA 40 Ca -0.05 1.73 0.01 0.00 0.00 0.00 0.00 51.96 53.65 1t6w s ALA 40 Cb 0.01 -2.27 0.04 0.00 0.00 0.00 0.00 23.12 20.91 1t6w s ALA 40 CO 0.07 -1.33 -0.08 -1.21 0.00 0.00 0.00 175.76 173.21 1t6w s GLU 41 N 2.87 2.51 0.22 0.00 2.02 -0.60 -0.10 118.70 125.63 1t6w s GLU 41 Ca 0.09 -1.18 0.05 0.00 0.02 0.00 0.00 54.97 53.95 1t6w s GLU 41 Cb -0.12 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1t6w s GLU 41 CO -0.17 -0.50 0.30 0.12 0.02 0.00 0.00 175.26 175.04 1t6w s PHE 42 N 1.21 3.38 0.28 1.61 2.19 0.17 -0.51 117.98 126.31 1t6w s PHE 42 Ca -0.04 -0.01 -0.09 0.00 0.33 0.00 0.00 56.93 57.12 1t6w s PHE 42 Cb -0.18 -1.55 -0.00 0.00 -1.31 0.00 0.00 43.02 39.97 1t6w s PHE 42 CO -0.05 0.47 0.45 0.15 1.83 0.00 0.00 175.22 178.07 1t6w s LYS 43 N -3.78 1.64 -0.55 10.12 3.01 -1.25 -1.33 119.74 127.60 1t6w s LYS 43 Ca 0.34 -1.45 -0.19 0.00 -1.01 0.00 0.00 55.97 53.65 1t6w s LYS 43 Cb -0.09 0.45 0.08 0.00 -1.01 0.00 0.00 37.83 37.25 1t6w s LYS 43 CO 0.28 -0.68 0.68 0.50 0.51 0.00 0.00 175.35 176.64 1t6w s ARG 44 N -3.68 3.09 0.00 1.68 6.06 0.67 -4.45 118.95 122.32 1t6w s ARG 44 Ca 0.26 -1.05 0.00 0.00 -2.50 0.00 0.00 55.73 52.45 1t6w s ARG 44 Cb 0.00 -4.17 0.00 0.00 0.06 0.00 0.00 34.95 30.84 1t6w s ARG 44 CO 0.13 -1.38 0.00 1.17 -2.50 0.00 0.00 175.30 172.71 1t6w n LYS 45 N 6.34 0.00 -0.65 5.12 0.00 -1.26 -4.97 118.16 122.74 1t6w n LYS 45 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.92 1t6w n LYS 45 Cb 0.44 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.65 1t6w n LYS 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1t6w n MET 46 N 0.00 -1.52 -2.91 1.64 1.56 -1.26 -4.93 117.12 109.69 1t6w n MET 46 Ca 0.00 -0.42 -0.41 0.00 -0.27 0.00 0.00 57.70 56.60 1t6w n MET 46 Cb 0.00 -1.85 -0.04 0.00 2.15 0.00 0.00 33.22 33.48 1t6w n MET 46 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1t6w s LYS 47 N -3.71 4.45 0.43 2.12 0.00 -1.26 -4.61 119.74 117.16 1t6w s LYS 47 Ca 0.59 1.07 -0.07 0.00 0.00 0.00 0.00 55.97 57.56 1t6w s LYS 47 Cb -0.17 -3.48 0.10 0.00 0.00 0.00 0.00 37.83 34.29 1t6w s LYS 47 CO 0.66 -0.05 0.59 -0.35 0.00 0.00 0.00 175.35 176.20 1t6w n PRO 48 N 4.11 -0.48 -3.64 1.78 -0.04 -1.26 -4.84 135.00 130.63 1t6w n PRO 48 Ca 0.02 -0.97 -0.28 0.00 -0.04 0.00 0.00 63.50 62.23 1t6w n PRO 48 Cb 0.51 -0.58 -0.16 0.00 -0.04 0.00 0.00 33.50 33.22 1t6w n PRO 48 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1t6w s PHE 49 N -2.19 0.66 -0.38 0.54 5.36 0.34 -4.96 117.98 117.34 1t6w s PHE 49 Ca 0.34 -0.83 -0.14 0.00 -0.96 0.00 0.00 56.93 55.34 1t6w s PHE 49 Cb -0.01 -0.99 0.00 0.00 -0.34 0.00 0.00 43.02 41.69 1t6w s PHE 49 CO 0.24 -0.69 0.29 -0.51 -1.46 0.00 0.00 175.22 173.08 1t6w s LEU 50 N 1.98 4.85 0.28 6.12 1.43 -1.26 -1.55 118.68 130.53 1t6w s LEU 50 Ca 0.05 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1t6w s LEU 50 Cb -0.16 -2.17 0.64 0.00 0.03 0.00 0.00 46.19 44.53 1t6w s LEU 50 CO -0.20 -0.37 1.62 0.50 0.23 0.00 0.00 176.35 178.14 1t6w h LYS 51 N 8.57 0.12 -1.31 1.70 3.64 -1.48 -3.45 116.57 124.36 1t6w h LYS 51 Ca -0.29 -0.01 0.33 0.00 -1.27 0.00 0.00 60.65 59.41 1t6w h LYS 51 Cb 1.13 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.78 1t6w h LYS 51 CO 0.69 0.08 0.88 0.45 -2.27 0.00 0.00 179.45 179.29 1t6w s SER 52 N -5.09 -0.06 0.11 4.20 0.15 -1.26 -4.99 113.70 106.75 1t6w s SER 52 Ca -0.13 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1t6w s SER 52 Cb 0.26 0.11 0.27 0.00 -1.71 0.00 0.00 66.02 64.95 1t6w s SER 52 CO 0.77 -0.19 1.02 0.61 1.20 0.00 0.00 173.24 176.65 1t6w n GLY 53 N -0.35 -0.45 0.00 9.45 0.00 -1.26 -1.40 105.19 111.18 1t6w n GLY 53 Ca -0.05 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1t6w n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w n ALA 54 N -1.43 2.33 -2.37 4.61 0.00 -1.26 -4.76 120.51 117.63 1t6w n ALA 54 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1t6w n ALA 54 Cb 0.19 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 1t6w n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t6w s PHE 55 N -2.00 0.87 -0.21 0.00 0.08 -0.49 -1.16 117.98 115.06 1t6w s PHE 55 Ca 0.28 -0.79 -0.08 0.00 0.12 0.00 0.00 56.93 56.46 1t6w s PHE 55 Cb 0.13 -0.50 0.09 0.00 -0.57 0.00 0.00 43.02 42.17 1t6w s PHE 55 CO 0.21 -0.11 0.46 -1.21 -0.10 0.00 0.00 175.22 174.47 1t6w s GLU 56 N -3.19 0.38 -0.65 0.44 8.01 -0.23 -4.90 118.70 118.55 1t6w s GLU 56 Ca 0.06 1.05 -0.27 0.00 0.01 0.00 0.00 54.97 55.83 1t6w s GLU 56 Cb 0.01 0.33 0.01 0.00 -4.31 0.00 0.00 34.13 30.17 1t6w s GLU 56 CO -0.03 -0.23 1.48 -1.50 0.01 0.00 0.00 175.26 175.00 1t6w s ILE 57 N 2.41 3.63 0.95 -1.63 2.07 -1.26 -0.75 121.20 126.62 1t6w s ILE 57 Ca -0.04 0.43 -0.12 0.00 -1.41 0.00 0.00 60.65 59.51 1t6w s ILE 57 Cb -0.11 -4.50 0.07 0.00 0.13 0.00 0.00 42.46 38.05 1t6w s ILE 57 CO -0.14 -1.39 0.59 0.18 -1.91 0.00 0.00 174.94 172.27 1t6w n LEU 58 N 10.39 0.58 0.30 8.50 4.32 0.16 -4.85 117.00 136.39 1t6w n LEU 58 Ca 0.11 0.33 0.18 0.00 -0.02 0.00 0.00 56.01 56.61 1t6w n LEU 58 Cb 0.50 -1.27 0.90 0.00 -1.62 0.00 0.00 43.42 41.94 1t6w n LEU 58 CO 0.71 -3.26 1.06 0.00 -1.22 0.00 0.00 177.39 174.69 1t6w h ALA 59 N -1.68 1.13 -0.81 -1.18 0.00 -1.94 -2.25 119.26 112.54 1t6w h ALA 59 Ca -0.44 -0.04 -0.46 0.00 0.00 0.00 0.00 54.91 53.98 1t6w h ALA 59 Cb 1.28 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.82 1t6w h ALA 59 CO 0.36 0.05 0.58 0.27 0.00 0.00 0.00 179.25 180.52 1t6w n ASN 60 N -3.32 4.63 -3.05 0.00 0.23 -1.26 -4.83 115.26 107.66 1t6w n ASN 60 Ca -0.02 -3.36 -0.21 0.00 -0.53 0.00 0.00 54.58 50.46 1t6w n ASN 60 Cb 0.19 -0.84 0.01 0.00 -2.08 0.00 0.00 39.78 37.06 1t6w n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1t6w n GLY 61 N -0.72 -0.50 3.68 4.83 0.00 -0.85 -4.53 105.19 107.10 1t6w n GLY 61 Ca 0.49 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.34 1t6w n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6w s ASP 62 N -2.59 4.86 -0.23 1.61 1.11 -1.24 -4.83 116.67 115.36 1t6w s ASP 62 Ca 0.29 -0.38 -0.17 0.00 0.18 0.00 0.00 52.55 52.46 1t6w s ASP 62 Cb -0.14 -1.06 -0.03 0.00 1.07 0.00 0.00 42.92 42.75 1t6w s ASP 62 CO 0.35 0.08 0.47 -0.22 1.18 0.00 0.00 175.17 177.03 1t6w s LEU 63 N -3.05 4.11 -0.35 1.23 2.96 -1.23 0.35 118.68 122.70 1t6w s LEU 63 Ca 0.28 0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 1t6w s LEU 63 Cb -0.09 -2.62 0.04 0.00 0.50 0.00 0.00 46.19 44.02 1t6w s LEU 63 CO 0.19 -0.19 0.13 -0.75 -1.32 0.00 0.00 176.35 174.42 1t6w s LYS 64 N 1.81 2.68 0.05 1.98 2.36 0.07 -1.76 119.74 126.94 1t6w s LYS 64 Ca 0.21 -1.15 -0.20 0.00 -2.55 0.00 0.00 55.97 52.28 1t6w s LYS 64 Cb -0.15 -3.54 -0.06 0.00 -1.05 0.00 0.00 37.83 33.02 1t6w s LYS 64 CO 0.09 -0.67 0.57 0.42 1.55 0.00 0.00 175.35 177.31 1t6w s ILE 65 N 1.45 4.78 -0.16 5.43 1.01 -0.53 -1.07 121.20 132.11 1t6w s ILE 65 Ca -0.01 1.22 -0.21 0.00 0.00 0.00 0.00 60.65 61.66 1t6w s ILE 65 Cb -0.19 -3.91 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 1t6w s ILE 65 CO 0.04 0.52 0.44 0.50 0.00 0.00 0.00 174.94 176.44 1t6w h LYS 66 N 4.80 0.09 -2.80 2.79 3.11 -1.45 -3.28 116.57 119.82 1t6w h LYS 66 Ca -0.49 -0.15 -0.38 0.00 -2.81 0.00 0.00 60.65 56.83 1t6w h LYS 66 Cb 1.21 0.05 -0.38 0.00 -1.00 0.00 0.00 32.23 32.11 1t6w h LYS 66 CO 0.65 1.07 -0.68 1.21 -2.81 0.00 0.00 179.45 178.89 1t6w s ASN 67 N -6.79 1.76 0.64 4.20 2.47 -1.26 -4.08 114.94 111.88 1t6w s ASN 67 Ca -0.24 -0.36 -0.18 0.00 0.42 0.00 0.00 52.86 52.51 1t6w s ASN 67 Cb 0.04 0.10 -0.03 0.00 -1.45 0.00 0.00 41.25 39.90 1t6w s ASN 67 CO 0.67 -0.33 0.97 0.18 -3.72 0.00 0.00 177.10 174.87 1t6w n LEU 68 N 5.30 3.77 -3.69 3.21 4.77 -0.38 -4.62 117.00 125.37 1t6w n LEU 68 Ca -0.06 0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 56.58 1t6w n LEU 68 Cb 0.49 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 1t6w n LEU 68 CO 0.09 -1.90 0.16 0.42 -1.33 0.00 0.00 177.39 174.83 1t6w s THR 69 N -1.59 0.06 0.14 -5.08 -4.23 -1.26 -1.05 115.64 102.63 1t6w s THR 69 Ca 0.76 -0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 1t6w s THR 69 Cb -0.39 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 1t6w s THR 69 CO 0.47 -0.29 1.61 0.08 -0.54 0.00 0.00 174.62 175.95 1t6w h ARG 70 N 2.36 -0.35 -0.02 3.99 0.11 -1.95 0.17 114.38 118.69 1t6w h ARG 70 Ca -0.33 0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.78 1t6w h ARG 70 Cb 1.25 0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 1t6w h ARG 70 CO 0.45 -0.23 0.13 0.38 0.10 0.00 0.00 179.97 180.80 1t6w h ASP 71 N -0.36 0.00 1.34 0.08 2.03 -2.01 0.17 116.42 117.66 1t6w h ASP 71 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1t6w h ASP 71 Cb 0.54 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.04 1t6w h ASP 71 CO -0.39 0.00 -0.21 -0.78 -1.03 0.00 0.00 179.24 176.83 1t6w h ASP 72 N 0.00 0.00 -3.40 4.15 3.58 -1.08 -3.45 116.42 116.22 1t6w h ASP 72 Ca 0.01 -0.06 -0.55 0.00 0.42 0.00 0.00 57.03 56.85 1t6w h ASP 72 Cb 0.27 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 1t6w h ASP 72 CO -0.00 0.03 0.25 -0.55 -2.88 0.00 0.00 179.24 176.09 1t6w s SER 73 N -4.65 7.23 0.00 2.28 0.15 0.60 -4.91 113.70 114.40 1t6w s SER 73 Ca 0.09 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1t6w s SER 73 Cb 0.12 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1t6w s SER 73 CO 0.65 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1t6w n GLY 74 N 2.89 0.02 3.68 9.45 0.00 -0.32 -5.01 105.19 115.91 1t6w n GLY 74 Ca 0.02 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1t6w n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 75 N -2.67 5.14 0.10 2.61 2.01 -1.26 0.07 115.64 121.63 1t6w s THR 75 Ca 0.00 0.96 0.02 0.00 0.31 0.00 0.00 61.69 62.98 1t6w s THR 75 Cb 0.00 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1t6w s THR 75 CO 0.00 0.23 0.16 -0.31 -0.69 0.00 0.00 174.62 174.02 1t6w s TYR 76 N 1.25 3.33 -0.07 4.92 1.51 0.04 -4.41 117.35 123.92 1t6w s TYR 76 Ca 0.25 0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.43 1t6w s TYR 76 Cb -0.15 -1.65 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1t6w s TYR 76 CO 0.10 0.54 -0.07 -0.80 -1.11 0.00 0.00 175.55 174.21 1t6w s ASN 77 N -2.71 1.62 -0.14 2.29 0.01 0.54 -0.86 114.94 115.68 1t6w s ASN 77 Ca 0.32 -0.22 -0.03 0.00 -0.71 0.00 0.00 52.86 52.22 1t6w s ASN 77 Cb -0.12 -0.67 -0.03 0.00 0.41 0.00 0.00 41.25 40.85 1t6w s ASN 77 CO 0.25 -0.06 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.03 1t6w s VAL 78 N 1.20 3.72 -0.39 1.60 1.01 0.51 -1.16 120.40 126.90 1t6w s VAL 78 Ca -0.06 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1t6w s VAL 78 Cb -0.14 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 33.74 1t6w s VAL 78 CO -0.02 0.51 0.13 -0.89 0.00 0.00 0.00 175.10 174.83 1t6w s THR 79 N 0.26 2.62 -0.18 3.92 2.01 -0.68 -1.22 115.64 122.37 1t6w s THR 79 Ca -0.04 -2.42 -0.19 0.00 0.31 0.00 0.00 61.69 59.36 1t6w s THR 79 Cb -0.14 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1t6w s THR 79 CO 0.03 -0.66 0.52 -0.69 -0.69 0.00 0.00 174.62 173.14 1t6w s VAL 80 N 0.78 5.12 0.17 3.82 1.01 0.83 -2.43 120.40 129.69 1t6w s VAL 80 Ca 0.11 0.98 0.10 0.00 0.00 0.00 0.00 61.98 63.18 1t6w s VAL 80 Cb -0.21 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1t6w s VAL 80 CO -0.06 0.21 -0.21 -0.31 0.00 0.00 0.00 175.10 174.73 1t6w s TYR 81 N 1.38 2.40 0.64 5.22 2.02 0.12 0.10 117.35 129.23 1t6w s TYR 81 Ca 0.25 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 1t6w s TYR 81 Cb -0.15 -1.22 0.07 0.00 -0.40 0.00 0.00 41.96 40.26 1t6w s TYR 81 CO 0.10 0.45 0.91 -1.54 -1.57 0.00 0.00 175.55 173.90 1t6w s SER 82 N -2.50 4.85 0.63 2.29 1.04 0.89 -0.70 113.70 120.21 1t6w s SER 82 Ca 0.20 0.01 0.43 0.00 0.48 0.00 0.00 55.95 57.06 1t6w s SER 82 Cb -0.09 -0.68 2.31 0.00 0.10 0.00 0.00 66.02 67.67 1t6w s SER 82 CO 0.10 -1.49 2.30 0.71 0.98 0.00 0.00 173.24 175.84 1t6w h THR 83 N -0.30 0.00 -0.56 2.02 1.35 -1.74 -0.91 112.91 112.78 1t6w h THR 83 Ca -0.41 -0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.26 1t6w h THR 83 Cb 1.29 0.95 -0.11 0.00 -1.73 0.00 0.00 68.15 68.55 1t6w h THR 83 CO 0.50 0.00 0.24 0.59 -0.25 0.00 0.00 175.52 176.61 1t6w n ASN 84 N -2.99 3.91 -1.62 5.36 3.02 -1.26 -4.87 115.26 116.81 1t6w n ASN 84 Ca -0.03 -2.90 -0.18 0.00 -0.03 0.00 0.00 54.58 51.43 1t6w n ASN 84 Cb 0.07 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.48 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6w n GLY 85 N -0.14 1.54 3.98 7.41 0.00 -0.35 -4.96 105.19 112.69 1t6w n GLY 85 Ca 0.31 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 1t6w n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 86 N -2.60 3.79 -0.25 2.61 2.01 -1.25 -4.86 115.64 115.09 1t6w s THR 86 Ca 0.00 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 60.97 1t6w s THR 86 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1t6w s THR 86 CO 0.00 -0.17 0.58 -0.60 -0.69 0.00 0.00 174.62 173.74 1t6w s ARG 87 N -4.35 4.10 -0.15 4.92 3.52 -1.26 -0.08 118.95 125.65 1t6w s ARG 87 Ca 0.48 0.45 -0.11 0.00 -0.13 0.00 0.00 55.73 56.42 1t6w s ARG 87 Cb -0.10 -3.65 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 1t6w s ARG 87 CO 0.34 -0.37 -0.15 -0.89 -0.81 0.00 0.00 175.30 173.42 1t6w n ILE 88 N 5.15 1.43 -3.74 4.11 5.41 0.28 -4.87 119.36 127.14 1t6w n ILE 88 Ca -0.02 0.18 -0.12 0.00 1.00 0.00 0.00 62.75 63.79 1t6w n ILE 88 Cb 0.49 -2.35 -0.12 0.00 -0.71 0.00 0.00 39.64 36.95 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1t6w s LEU 89 N -8.17 0.52 -0.26 1.39 0.20 -0.96 -5.00 118.68 106.40 1t6w s LEU 89 Ca -0.17 0.60 0.03 0.00 0.69 0.00 0.00 54.13 55.27 1t6w s LEU 89 Cb 0.03 0.92 0.06 0.00 -0.43 0.00 0.00 46.19 46.77 1t6w s LEU 89 CO 0.27 -0.15 -0.09 0.21 -0.29 0.00 0.00 176.35 176.30 1t6w s ASN 90 N 0.88 4.34 0.30 3.68 3.04 -1.26 -0.12 114.94 125.79 1t6w s ASN 90 Ca -0.06 -1.38 0.10 0.00 0.04 0.00 0.00 52.86 51.56 1t6w s ASN 90 Cb -0.07 -1.47 -0.06 0.00 -1.54 0.00 0.00 41.25 38.11 1t6w s ASN 90 CO -0.06 -0.21 -0.13 -0.54 -3.04 0.00 0.00 177.10 173.12 1t6w s LYS 91 N 1.16 1.68 -0.05 0.43 -0.14 -0.35 -4.97 119.74 117.49 1t6w s LYS 91 Ca -0.08 -1.82 -0.02 0.00 -1.36 0.00 0.00 55.97 52.69 1t6w s LYS 91 Cb -0.20 -1.59 0.03 0.00 -1.68 0.00 0.00 37.83 34.40 1t6w s LYS 91 CO -0.05 0.20 0.08 0.00 -0.76 0.00 0.00 175.35 174.82 1t6w s ALA 92 N -2.67 0.09 0.34 5.17 0.00 -1.26 -0.36 121.76 123.06 1t6w s ALA 92 Ca 0.30 0.32 0.09 0.00 0.00 0.00 0.00 51.96 52.67 1t6w s ALA 92 Cb -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 1t6w s ALA 92 CO 0.14 -0.44 0.07 -0.51 0.00 0.00 0.00 175.76 175.03 1t6w s LEU 93 N 1.99 3.13 -0.28 0.00 1.02 -0.04 -2.44 118.68 122.06 1t6w s LEU 93 Ca 0.02 -0.87 -0.02 0.00 0.02 0.00 0.00 54.13 53.28 1t6w s LEU 93 Cb -0.12 -1.55 0.04 0.00 0.02 0.00 0.00 46.19 44.57 1t6w s LEU 93 CO -0.04 -0.25 -0.02 -1.81 0.02 0.00 0.00 176.35 174.25 1t6w s ASP 94 N -3.78 4.71 -0.57 2.29 1.11 0.33 -0.78 116.67 119.98 1t6w s ASP 94 Ca 0.36 -1.13 -0.16 0.00 0.18 0.00 0.00 52.55 51.80 1t6w s ASP 94 Cb -0.02 -1.70 0.13 0.00 1.07 0.00 0.00 42.92 42.41 1t6w s ASP 94 CO 0.21 -0.21 0.55 -0.22 1.18 0.00 0.00 175.17 176.67 1t6w s LEU 95 N 1.28 6.11 -0.27 1.23 0.20 0.11 -0.20 118.68 127.14 1t6w s LEU 95 Ca -0.03 -1.79 -0.11 0.00 0.69 0.00 0.00 54.13 52.89 1t6w s LEU 95 Cb -0.19 -2.22 -0.05 0.00 -0.43 0.00 0.00 46.19 43.30 1t6w s LEU 95 CO -0.02 -0.88 0.17 -0.13 -0.29 0.00 0.00 176.35 175.20 1t6w s ARG 96 N 1.67 3.93 -0.07 1.98 1.81 -0.21 -1.17 118.95 126.88 1t6w s ARG 96 Ca 0.05 -0.33 0.02 0.00 -1.72 0.00 0.00 55.73 53.75 1t6w s ARG 96 Cb -0.28 -3.61 0.01 0.00 -0.45 0.00 0.00 34.95 30.63 1t6w s ARG 96 CO 0.03 -0.16 -0.12 0.42 -0.68 0.00 0.00 175.30 174.79 1t6w s ILE 97 N 1.68 1.17 0.75 1.52 1.01 -1.26 -0.96 121.20 125.11 1t6w s ILE 97 Ca 0.07 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.14 1t6w s ILE 97 Cb -0.16 -1.07 0.07 0.00 0.01 0.00 0.00 42.46 41.31 1t6w s ILE 97 CO 0.10 0.36 1.09 -0.76 0.00 0.00 0.00 174.94 175.73 1t6w s LEU 98 N 0.74 2.69 0.00 2.97 1.43 0.19 -4.81 118.68 121.89 1t6w s LEU 98 Ca -0.13 0.65 0.20 0.00 -1.03 0.00 0.00 54.13 53.81 1t6w s LEU 98 Cb -0.16 -3.24 0.15 0.00 0.03 0.00 0.00 46.19 42.98 1t6w s LEU 98 CO 0.03 -1.71 1.12 -0.62 0.23 0.00 0.00 176.35 175.39