#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 0.00 -4.47 0.55 8.00 -1.26 -4.56 116.55 114.80 1t6w n ASP 2 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 1t6w n ASP 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1t6w s SER 3 N -3.63 6.21 0.76 -2.24 1.04 -1.26 -5.02 113.70 109.55 1t6w s SER 3 Ca 0.00 -0.97 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 1t6w s SER 3 Cb 0.00 -2.45 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1t6w s SER 3 CO 0.00 -1.50 1.08 -0.83 0.98 0.00 0.00 173.24 172.97 1t6w s GLY 4 N 3.73 1.66 -0.08 7.32 0.00 -1.26 -4.97 107.32 113.71 1t6w s GLY 4 Ca 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 44.72 45.03 1t6w s GLY 4 CO 0.09 0.43 0.02 -1.59 0.00 0.00 0.00 173.10 172.05 1t6w s THR 5 N -3.01 0.28 0.61 0.90 2.01 -1.26 -3.02 115.64 112.15 1t6w s THR 5 Ca 0.60 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.79 1t6w s THR 5 Cb -0.15 -0.50 0.10 0.00 0.01 0.00 0.00 72.50 71.95 1t6w s THR 5 CO 0.55 0.19 0.84 0.68 -0.69 0.00 0.00 174.62 176.20 1t6w s VAL 6 N 2.01 2.14 0.12 3.82 -7.23 0.19 -4.94 120.40 116.51 1t6w s VAL 6 Ca 0.04 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.22 1t6w s VAL 6 Cb -0.13 -2.23 -0.00 0.00 0.56 0.00 0.00 36.38 34.58 1t6w s VAL 6 CO -0.05 0.00 0.24 0.26 -0.31 0.00 0.00 175.10 175.24 1t6w s TRP 7 N -2.78 0.24 0.09 2.82 0.52 -1.26 -1.70 118.94 116.86 1t6w s TRP 7 Ca 0.63 -0.64 -0.25 0.00 0.02 0.00 0.00 56.10 55.86 1t6w s TRP 7 Cb -0.06 -0.04 0.09 0.00 -1.15 0.00 0.00 33.47 32.31 1t6w s TRP 7 CO 0.40 -0.63 1.16 0.20 0.02 0.00 0.00 176.95 178.10 1t6w s GLY 8 N -2.90 -0.03 -0.06 0.98 0.00 0.17 -4.81 107.32 100.67 1t6w s GLY 8 Ca 0.10 -0.11 0.06 0.00 0.00 0.00 0.00 44.72 44.77 1t6w s GLY 8 CO -0.06 3.62 -0.25 0.00 0.00 0.00 0.00 173.10 176.41 1t6w s ALA 9 N -2.14 2.18 0.24 3.20 0.00 -1.26 0.26 121.76 124.23 1t6w s ALA 9 Ca 0.24 -1.04 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 1t6w s ALA 9 Cb -0.01 -0.69 -0.13 0.00 0.00 0.00 0.00 23.12 22.29 1t6w s ALA 9 CO 0.02 0.41 1.54 -0.11 0.00 0.00 0.00 175.76 177.63 1t6w n LEU 10 N 2.97 3.62 0.00 0.00 7.94 -0.59 -0.94 117.00 130.00 1t6w n LEU 10 Ca -0.17 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.85 1t6w n LEU 10 Cb 0.52 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.97 1t6w n LEU 10 CO 0.26 -0.16 0.00 0.61 -1.11 0.00 0.00 177.39 176.99 1t6w n GLY 11 N 2.66 1.32 3.87 -3.96 0.00 0.90 -4.80 105.19 105.19 1t6w n GLY 11 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.37 2.77 0.63 1.61 5.65 -0.12 -4.51 115.29 117.97 1t6w s HIS 12 Ca 0.00 -0.43 -0.09 0.00 0.25 0.00 0.00 55.06 54.79 1t6w s HIS 12 Cb 0.00 -2.05 -0.00 0.00 -1.18 0.00 0.00 32.58 29.35 1t6w s HIS 12 CO 0.00 -0.02 1.00 0.20 -0.65 0.00 0.00 174.74 175.26 1t6w s GLY 13 N -4.09 1.61 -0.29 1.59 0.00 -1.26 -1.49 107.32 103.39 1t6w s GLY 13 Ca 0.46 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 44.52 1t6w s GLY 13 CO 0.27 -0.12 1.31 -1.50 0.00 0.00 0.00 173.10 173.06 1t6w s ILE 14 N -3.16 0.00 -0.20 0.90 1.10 -1.21 -4.81 121.20 113.83 1t6w s ILE 14 Ca 0.55 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.69 1t6w s ILE 14 Cb -0.11 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.51 1t6w s ILE 14 CO 0.49 0.00 -0.14 -0.62 -2.11 0.00 0.00 174.94 172.56 1t6w s ASP 15 N 0.29 3.59 -0.37 4.50 2.15 -1.26 -1.35 116.67 124.23 1t6w s ASP 15 Ca 0.03 -0.57 -0.28 0.00 0.43 0.00 0.00 52.55 52.16 1t6w s ASP 15 Cb -0.04 -1.58 0.02 0.00 -0.30 0.00 0.00 42.92 41.02 1t6w s ASP 15 CO -0.13 -0.01 1.06 -0.76 -0.17 0.00 0.00 175.17 175.15 1t6w s LEU 16 N 1.36 3.88 -0.22 -1.34 1.02 -0.73 -4.94 118.68 117.70 1t6w s LEU 16 Ca 0.05 0.80 -0.16 0.00 0.02 0.00 0.00 54.13 54.84 1t6w s LEU 16 Cb -0.14 -3.48 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 1t6w s LEU 16 CO -0.09 -0.96 0.42 -1.81 0.02 0.00 0.00 176.35 173.92 1t6w s ASP 17 N 1.90 6.42 -0.24 2.29 1.01 -1.26 -3.31 116.67 123.48 1t6w s ASP 17 Ca 0.44 0.50 -0.29 0.00 0.71 0.00 0.00 52.55 53.92 1t6w s ASP 17 Cb -0.11 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.59 1t6w s ASP 17 CO 0.20 -0.12 1.03 -0.63 0.21 0.00 0.00 175.17 175.86 1t6w s ILE 18 N 1.53 4.68 0.22 0.77 1.01 -1.26 -5.00 121.20 123.15 1t6w s ILE 18 Ca 0.19 1.97 -0.32 0.00 0.00 0.00 0.00 60.65 62.50 1t6w s ILE 18 Cb -0.15 -4.30 -0.12 0.00 0.01 0.00 0.00 42.46 37.90 1t6w s ILE 18 CO 0.08 -0.19 1.69 -2.65 0.00 0.00 0.00 174.94 173.87 1t6w n PRO 19 N 6.33 2.71 -3.84 2.79 -0.02 -1.26 -3.54 135.00 138.17 1t6w n PRO 19 Ca 0.11 0.97 -0.32 0.00 -2.02 0.00 0.00 63.50 62.25 1t6w n PRO 19 Cb 0.46 -2.80 0.01 0.00 -0.02 0.00 0.00 33.50 31.15 1t6w n PRO 19 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1t6w n ASN 20 N 3.62 -4.83 -3.95 2.55 2.85 -1.26 -4.99 115.26 109.26 1t6w n ASN 20 Ca 0.15 -1.05 -0.10 0.00 -0.11 0.00 0.00 54.58 53.48 1t6w n ASN 20 Cb 0.35 -2.08 -0.10 0.00 1.24 0.00 0.00 39.78 39.18 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1t6w s PHE 21 N -3.24 0.20 -0.08 1.20 5.36 -1.23 -5.03 117.98 115.15 1t6w s PHE 21 Ca 0.24 -0.43 -0.03 0.00 -0.96 0.00 0.00 56.93 55.75 1t6w s PHE 21 Cb -0.12 -0.15 0.04 0.00 -0.34 0.00 0.00 43.02 42.45 1t6w s PHE 21 CO 0.91 -0.25 0.10 -1.14 -1.46 0.00 0.00 175.22 173.38 1t6w s GLN 22 N -1.71 -0.01 -1.32 10.12 -0.44 -1.26 -5.01 119.66 120.03 1t6w s GLN 22 Ca -0.13 0.36 -0.17 0.00 -2.50 0.00 0.00 55.36 52.92 1t6w s GLN 22 Cb -0.07 -0.67 0.07 0.00 -1.64 0.00 0.00 33.01 30.70 1t6w s GLN 22 CO -0.01 -0.39 1.80 -0.12 0.50 0.00 0.00 175.29 177.06 1t6w n MET 23 N 5.31 3.16 -2.24 1.67 0.00 -1.26 -4.75 117.12 119.01 1t6w n MET 23 Ca -0.04 -3.22 -0.08 0.00 -0.00 0.00 0.00 57.70 54.36 1t6w n MET 23 Cb 0.50 -3.43 -0.00 0.00 0.00 0.00 0.00 33.22 30.28 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 6.06 0.00 0.19 1.12 -2.24 -1.26 -4.79 114.28 113.36 1t6w n THR 24 Ca 0.49 -0.65 0.09 0.00 -2.27 0.00 0.00 64.05 61.70 1t6w n THR 24 Cb 0.45 -0.32 0.62 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.21 0.06 0.09 3.42 5.19 -2.02 -0.67 116.42 122.70 1t6w h ASP 25 Ca -0.11 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1t6w h ASP 25 Cb 0.38 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 1t6w h ASP 25 CO 0.17 0.04 -0.05 0.44 -3.12 0.00 0.00 179.24 176.72 1t6w h ASP 26 N 0.07 0.00 -3.34 6.45 3.32 -1.94 -3.41 116.42 117.57 1t6w h ASP 26 Ca 0.05 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.55 1t6w h ASP 26 Cb 0.13 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1t6w h ASP 26 CO -0.01 0.05 0.39 -0.63 -1.72 0.00 0.00 179.24 177.33 1t6w s ILE 27 N -4.68 4.87 -0.11 0.35 -1.09 -0.26 -2.52 121.20 117.77 1t6w s ILE 27 Ca -0.04 1.89 -0.02 0.00 -2.23 0.00 0.00 60.65 60.25 1t6w s ILE 27 Cb 0.15 -4.24 -0.06 0.00 -1.58 0.00 0.00 42.46 36.73 1t6w s ILE 27 CO 0.61 0.10 -0.11 -0.67 -1.23 0.00 0.00 174.94 173.64 1t6w n ASP 28 N 4.45 2.31 -3.91 3.58 2.03 -0.07 -4.81 116.55 120.12 1t6w n ASP 28 Ca 0.05 0.01 -0.28 0.00 0.52 0.00 0.00 54.79 55.10 1t6w n ASP 28 Cb 0.50 -0.23 -0.16 0.00 -0.72 0.00 0.00 41.12 40.51 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 -2.21 1.57 -0.22 -0.67 2.12 -1.04 -1.00 118.70 117.23 1t6w s GLU 29 Ca -0.15 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 54.67 1t6w s GLU 29 Cb 0.05 -1.97 0.02 0.00 0.26 0.00 0.00 34.13 32.48 1t6w s GLU 29 CO 0.23 -0.39 -0.10 0.08 -0.54 0.00 0.00 175.26 174.54 1t6w s VAL 30 N 1.61 2.70 -0.08 3.70 1.01 -0.81 -0.56 120.40 127.97 1t6w s VAL 30 Ca 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1t6w s VAL 30 Cb -0.15 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1t6w s VAL 30 CO -0.08 0.32 -0.21 0.00 0.00 0.00 0.00 175.10 175.13 1t6w s ARG 31 N 1.33 2.83 -0.81 2.72 1.70 -1.18 0.13 118.95 125.67 1t6w s ARG 31 Ca 0.02 -0.83 -0.04 0.00 -0.47 0.00 0.00 55.73 54.41 1t6w s ARG 31 Cb -0.15 -2.31 0.20 0.00 -0.57 0.00 0.00 34.95 32.12 1t6w s ARG 31 CO -0.07 0.33 0.69 -1.58 -1.08 0.00 0.00 175.30 173.59 1t6w s TRP 32 N -0.01 3.74 0.15 5.89 0.52 0.44 -2.05 118.94 127.62 1t6w s TRP 32 Ca -0.07 -2.81 -0.05 0.00 0.02 0.00 0.00 56.10 53.18 1t6w s TRP 32 Cb -0.15 -3.31 -0.06 0.00 -1.15 0.00 0.00 33.47 28.80 1t6w s TRP 32 CO 0.05 -0.81 0.39 -1.21 0.02 0.00 0.00 176.95 175.40 1t6w s GLU 33 N -0.79 3.64 -0.13 4.98 2.02 -0.21 -1.59 118.70 126.61 1t6w s GLU 33 Ca 0.23 -0.05 -0.04 0.00 0.02 0.00 0.00 54.97 55.13 1t6w s GLU 33 Cb -0.12 -2.83 0.05 0.00 0.10 0.00 0.00 34.13 31.33 1t6w s GLU 33 CO -0.09 0.45 0.08 0.50 0.02 0.00 0.00 175.26 176.22 1t6w s ARG 34 N -2.67 0.05 6.42 1.61 3.52 -0.54 -0.80 118.95 126.55 1t6w s ARG 34 Ca 0.42 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1t6w s ARG 34 Cb -0.12 -1.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.87 1t6w s ARG 34 CO 0.24 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 1t6w n GLY 35 N 5.27 2.73 2.24 8.12 0.00 -1.26 -1.42 105.19 120.87 1t6w n GLY 35 Ca -0.06 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 1t6w n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t6w n SER 36 N 9.99 5.27 -3.63 1.61 2.88 -1.26 -5.02 113.62 123.46 1t6w n SER 36 Ca 0.00 -3.75 -0.10 0.00 -1.33 0.00 0.00 58.87 53.69 1t6w n SER 36 Cb 0.00 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 62.94 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1t6w s THR 37 N -4.94 0.07 0.01 2.46 2.01 -0.51 -5.17 115.64 109.58 1t6w s THR 37 Ca 0.51 -0.57 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1t6w s THR 37 Cb 0.42 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 1t6w s THR 37 CO -0.06 -0.31 0.16 -0.76 -0.69 0.00 0.00 174.62 172.96 1t6w s LEU 38 N -2.80 4.22 -0.02 4.42 1.43 -1.26 -1.46 118.68 123.20 1t6w s LEU 38 Ca 0.03 0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1t6w s LEU 38 Cb 0.02 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.62 1t6w s LEU 38 CO -0.12 0.24 -0.02 0.52 0.23 0.00 0.00 176.35 177.19 1t6w n VAL 39 N 0.82 0.13 -3.23 -1.59 0.31 -0.62 -4.63 118.33 109.51 1t6w n VAL 39 Ca -0.10 -0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 1t6w n VAL 39 Cb 0.52 -0.89 -0.02 0.00 -0.91 0.00 0.00 33.84 32.54 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 -2.05 -2.74 -0.18 3.52 0.00 -1.18 -1.45 121.76 117.69 1t6w s ALA 40 Ca -0.03 1.78 0.01 0.00 0.00 0.00 0.00 51.96 53.71 1t6w s ALA 40 Cb 0.01 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1t6w s ALA 40 CO 0.05 -1.28 -0.19 -1.21 0.00 0.00 0.00 175.76 173.13 1t6w s GLU 41 N 2.83 3.02 0.15 0.00 2.02 -0.78 -0.42 118.70 125.53 1t6w s GLU 41 Ca 0.07 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 1t6w s GLU 41 Cb -0.12 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1t6w s GLU 41 CO -0.17 -0.21 0.34 0.12 0.02 0.00 0.00 175.26 175.36 1t6w s PHE 42 N 1.30 3.49 -0.17 1.61 2.19 0.35 -0.59 117.98 126.15 1t6w s PHE 42 Ca 0.05 0.35 -0.07 0.00 0.33 0.00 0.00 56.93 57.60 1t6w s PHE 42 Cb -0.13 -1.85 0.08 0.00 -1.31 0.00 0.00 43.02 39.80 1t6w s PHE 42 CO -0.12 0.45 0.37 0.21 1.83 0.00 0.00 175.22 177.96 1t6w s LYS 43 N -2.96 0.28 -0.92 10.12 2.47 -1.26 -1.92 119.74 125.55 1t6w s LYS 43 Ca 0.38 0.91 -0.23 0.00 -1.56 0.00 0.00 55.97 55.47 1t6w s LYS 43 Cb -0.12 0.17 -0.23 0.00 -1.46 0.00 0.00 37.83 36.19 1t6w s LYS 43 CO 0.28 -0.24 2.46 -2.13 0.16 0.00 0.00 175.35 175.87 1t6w n ARG 44 N 5.18 0.18 0.00 4.03 3.00 -0.17 -1.58 116.66 127.30 1t6w n ARG 44 Ca -0.11 -0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1t6w n ARG 44 Cb 0.50 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1t6w n ARG 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1t6w n LYS 45 N 7.61 0.00 -1.06 -0.14 2.85 -1.26 -4.97 118.16 121.18 1t6w n LYS 45 Ca 0.61 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.52 1t6w n LYS 45 Cb 0.17 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.63 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1t6w n MET 46 N 0.00 0.04 -2.05 -1.58 2.81 -0.61 -4.83 117.12 110.90 1t6w n MET 46 Ca 0.00 0.05 -0.43 0.00 -1.81 0.00 0.00 57.70 55.52 1t6w n MET 46 Cb 0.00 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 30.77 1t6w n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t6w s LYS 47 N -2.93 3.72 0.41 0.03 1.02 -1.26 -4.35 119.74 116.37 1t6w s LYS 47 Ca 0.59 1.71 -0.07 0.00 0.02 0.00 0.00 55.97 58.22 1t6w s LYS 47 Cb -0.29 -4.08 0.10 0.00 -0.52 0.00 0.00 37.83 33.04 1t6w s LYS 47 CO 0.64 -1.39 0.35 -2.30 -0.92 0.00 0.00 175.35 171.74 1t6w n PRO 48 N 7.81 -1.79 -3.59 -1.68 -0.02 -1.26 -4.85 135.00 129.61 1t6w n PRO 48 Ca 0.20 -0.56 -0.29 0.00 -2.02 0.00 0.00 63.50 60.82 1t6w n PRO 48 Cb 0.45 -0.54 -0.15 0.00 -0.02 0.00 0.00 33.50 33.24 1t6w n PRO 48 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1t6w s PHE 49 N -1.63 0.79 -0.37 6.00 5.36 0.24 -4.96 117.98 123.41 1t6w s PHE 49 Ca 0.23 -1.22 -0.18 0.00 -0.96 0.00 0.00 56.93 54.80 1t6w s PHE 49 Cb -0.02 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.50 1t6w s PHE 49 CO 0.18 -0.84 0.52 -0.51 -1.46 0.00 0.00 175.22 173.10 1t6w s LEU 50 N 1.83 4.42 0.00 6.12 1.43 -1.26 -1.87 118.68 129.35 1t6w s LEU 50 Ca 0.10 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 1t6w s LEU 50 Cb -0.17 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.48 1t6w s LEU 50 CO -0.30 -0.52 0.00 1.17 0.23 0.00 0.00 176.35 176.93 1t6w n LYS 51 N 5.78 0.00 -0.21 1.70 3.00 -0.52 -4.03 118.16 123.88 1t6w n LYS 51 Ca -0.05 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.35 1t6w n LYS 51 Cb 0.49 -0.41 0.17 0.00 0.00 0.00 0.00 35.03 35.27 1t6w n LYS 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1t6w n SER 52 N 0.00 2.49 0.00 3.14 7.64 -1.26 -4.95 113.62 120.68 1t6w n SER 52 Ca 0.00 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.68 1t6w n SER 52 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1t6w n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t6w n GLY 53 N -1.27 0.98 0.15 0.23 0.00 -1.26 -4.83 105.19 99.21 1t6w n GLY 53 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.89 2.60 -2.41 4.61 0.00 -1.26 -4.82 120.51 120.11 1t6w n ALA 54 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 1t6w n ALA 54 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.95 1.90 -0.05 0.00 0.40 -1.26 -1.24 117.98 115.78 1t6w s PHE 55 Ca 0.32 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1t6w s PHE 55 Cb 0.16 -0.89 0.03 0.00 0.51 0.00 0.00 43.02 42.83 1t6w s PHE 55 CO 0.25 0.43 0.09 -1.21 0.70 0.00 0.00 175.22 175.48 1t6w s GLU 56 N -3.27 -0.05 -0.62 0.44 2.02 -0.27 -4.96 118.70 111.99 1t6w s GLU 56 Ca 0.22 0.42 -0.28 0.00 0.02 0.00 0.00 54.97 55.35 1t6w s GLU 56 Cb -0.04 -0.43 0.02 0.00 0.10 0.00 0.00 34.13 33.78 1t6w s GLU 56 CO 0.09 -0.32 1.40 -1.50 0.02 0.00 0.00 175.26 174.95 1t6w s ILE 57 N 2.15 3.75 1.08 -1.63 2.07 -1.26 -0.69 121.20 126.66 1t6w s ILE 57 Ca 0.04 0.58 -0.15 0.00 -1.41 0.00 0.00 60.65 59.70 1t6w s ILE 57 Cb -0.12 -4.54 0.13 0.00 0.13 0.00 0.00 42.46 38.06 1t6w s ILE 57 CO -0.04 -1.34 0.41 0.18 -1.91 0.00 0.00 174.94 172.24 1t6w n LEU 58 N 9.74 -1.22 0.25 8.50 4.32 -0.66 -4.85 117.00 133.08 1t6w n LEU 58 Ca 0.10 0.01 0.13 0.00 -0.02 0.00 0.00 56.01 56.23 1t6w n LEU 58 Cb 0.49 -1.12 0.63 0.00 -1.62 0.00 0.00 43.42 41.80 1t6w n LEU 58 CO 0.71 -3.19 0.91 0.00 -1.22 0.00 0.00 177.39 174.60 1t6w h ALA 59 N -2.08 1.11 -0.83 -1.18 0.00 -1.94 -2.83 119.26 111.51 1t6w h ALA 59 Ca -0.52 -0.13 -0.47 0.00 0.00 0.00 0.00 54.91 53.78 1t6w h ALA 59 Cb 1.33 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.85 1t6w h ALA 59 CO 0.40 0.18 0.61 0.27 0.00 0.00 0.00 179.25 180.71 1t6w n ASN 60 N -3.42 4.84 -2.95 0.00 0.23 -1.26 -4.77 115.26 107.93 1t6w n ASN 60 Ca -0.01 -3.40 -0.21 0.00 -0.53 0.00 0.00 54.58 50.43 1t6w n ASN 60 Cb 0.32 -0.86 0.02 0.00 -2.08 0.00 0.00 39.78 37.19 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 -0.74 -0.51 4.00 4.83 0.00 -1.07 -4.25 105.19 107.44 1t6w n GLY 61 Ca 0.50 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 1t6w n GLY 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1t6w s ASP 62 N -2.55 5.32 -0.20 1.61 2.15 -1.25 -4.86 116.67 116.88 1t6w s ASP 62 Ca 0.25 -0.67 -0.02 0.00 0.43 0.00 0.00 52.55 52.54 1t6w s ASP 62 Cb -0.12 -0.21 -0.00 0.00 -0.30 0.00 0.00 42.92 42.29 1t6w s ASP 62 CO 0.31 -1.00 -0.09 -0.22 -0.17 0.00 0.00 175.17 174.00 1t6w s LEU 63 N -4.45 2.68 -0.42 -1.34 2.96 -1.21 -1.66 118.68 115.25 1t6w s LEU 63 Ca 0.56 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1t6w s LEU 63 Cb -0.07 -1.66 0.08 0.00 0.50 0.00 0.00 46.19 45.04 1t6w s LEU 63 CO 0.34 0.00 0.25 -0.75 -1.32 0.00 0.00 176.35 174.88 1t6w s LYS 64 N 1.31 2.53 -0.08 1.98 2.20 0.13 -1.78 119.74 126.03 1t6w s LYS 64 Ca 0.04 -1.52 -0.28 0.00 -0.36 0.00 0.00 55.97 53.85 1t6w s LYS 64 Cb -0.14 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1t6w s LYS 64 CO -0.05 -0.98 0.90 0.42 -0.36 0.00 0.00 175.35 175.28 1t6w s ILE 65 N 1.38 4.88 -0.02 5.43 1.01 -0.46 -1.12 121.20 132.31 1t6w s ILE 65 Ca 0.03 1.84 -0.22 0.00 0.00 0.00 0.00 60.65 62.31 1t6w s ILE 65 Cb -0.23 -4.22 -0.24 0.00 0.01 0.00 0.00 42.46 37.78 1t6w s ILE 65 CO 0.01 0.10 1.06 0.50 0.00 0.00 0.00 174.94 176.61 1t6w h LYS 66 N 7.00 0.31 -2.23 2.79 3.64 -1.48 -3.19 116.57 123.40 1t6w h LYS 66 Ca -0.35 -0.33 -0.20 0.00 -1.27 0.00 0.00 60.65 58.49 1t6w h LYS 66 Cb 1.17 0.10 -0.32 0.00 -0.41 0.00 0.00 32.23 32.77 1t6w h LYS 66 CO 0.80 1.03 -0.52 -0.80 -2.27 0.00 0.00 179.45 177.70 1t6w s ASN 67 N -6.58 0.54 0.68 4.20 0.02 -1.26 -4.25 114.94 108.29 1t6w s ASN 67 Ca -0.14 0.20 -0.17 0.00 -1.02 0.00 0.00 52.86 51.73 1t6w s ASN 67 Cb 0.02 0.88 -0.01 0.00 0.02 0.00 0.00 41.25 42.16 1t6w s ASN 67 CO 0.79 -0.30 0.98 0.18 0.02 0.00 0.00 177.10 178.77 1t6w n LEU 68 N 5.35 3.71 -3.76 0.60 4.77 -0.56 -4.55 117.00 122.57 1t6w n LEU 68 Ca -0.05 0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 56.55 1t6w n LEU 68 Cb 0.50 -1.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.13 1t6w n LEU 68 CO 0.06 -1.94 0.17 0.42 -1.33 0.00 0.00 177.39 174.77 1t6w s THR 69 N -1.70 0.05 0.14 -5.08 -4.23 -1.26 -0.07 115.64 103.49 1t6w s THR 69 Ca 0.75 -0.86 -0.25 0.00 -1.18 0.00 0.00 61.69 60.14 1t6w s THR 69 Cb -0.37 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 1t6w s THR 69 CO 0.48 -0.23 1.61 0.03 -0.54 0.00 0.00 174.62 175.98 1t6w h ARG 70 N 2.33 -0.36 0.00 3.99 2.47 -1.94 0.17 114.38 121.04 1t6w h ARG 70 Ca -0.31 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1t6w h ARG 70 Cb 1.25 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1t6w h ARG 70 CO 0.43 -0.24 0.07 0.22 0.56 0.00 0.00 179.97 181.01 1t6w h ASP 71 N -0.37 0.00 0.92 7.04 3.58 -2.01 0.13 116.42 125.70 1t6w h ASP 71 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1t6w h ASP 71 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1t6w h ASP 71 CO -0.36 0.00 -0.66 -0.78 -2.88 0.00 0.00 179.24 174.55 1t6w h ASP 72 N 0.00 0.00 -3.41 2.28 3.58 -1.10 -3.46 116.42 114.32 1t6w h ASP 72 Ca 0.00 -0.18 -0.55 0.00 0.42 0.00 0.00 57.03 56.73 1t6w h ASP 72 Cb 0.14 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1t6w h ASP 72 CO 0.00 0.09 0.25 -0.94 -2.88 0.00 0.00 179.24 175.76 1t6w s SER 73 N -4.45 7.24 0.00 2.28 1.04 0.47 -4.84 113.70 115.43 1t6w s SER 73 Ca 0.05 1.49 0.00 0.00 0.48 0.00 0.00 55.95 57.97 1t6w s SER 73 Cb 0.13 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1t6w s SER 73 CO 0.73 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.39 1t6w n GLY 74 N 2.87 -0.06 3.06 7.32 0.00 -0.39 -4.98 105.19 113.01 1t6w n GLY 74 Ca 0.02 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.33 1.44 0.11 2.61 2.01 -1.26 -0.02 115.64 120.20 1t6w s THR 75 Ca 0.00 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 1t6w s THR 75 Cb 0.00 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1t6w s THR 75 CO 0.00 0.43 0.32 -0.31 -0.69 0.00 0.00 174.62 174.37 1t6w s TYR 76 N 0.89 3.49 -0.09 4.92 1.51 0.62 -4.47 117.35 124.22 1t6w s TYR 76 Ca -0.09 0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1t6w s TYR 76 Cb -0.15 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1t6w s TYR 76 CO 0.00 0.49 -0.03 -0.80 -1.11 0.00 0.00 175.55 174.10 1t6w s ASN 77 N -2.45 1.80 -0.17 2.29 0.01 0.02 -1.02 114.94 115.42 1t6w s ASN 77 Ca 0.39 -0.18 -0.05 0.00 -0.71 0.00 0.00 52.86 52.31 1t6w s ASN 77 Cb -0.12 -0.61 -0.03 0.00 0.41 0.00 0.00 41.25 40.90 1t6w s ASN 77 CO 0.26 -0.15 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.99 1t6w s VAL 78 N 1.80 4.08 -0.41 1.60 1.01 0.39 -1.05 120.40 127.82 1t6w s VAL 78 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1t6w s VAL 78 Cb -0.12 -2.81 0.11 0.00 0.00 0.00 0.00 36.38 33.56 1t6w s VAL 78 CO -0.06 0.47 0.16 -0.89 0.00 0.00 0.00 175.10 174.78 1t6w s THR 79 N 0.53 2.70 -0.13 3.92 2.01 -0.87 -1.27 115.64 122.53 1t6w s THR 79 Ca -0.01 -2.51 -0.23 0.00 0.31 0.00 0.00 61.69 59.25 1t6w s THR 79 Cb -0.14 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1t6w s THR 79 CO 0.02 -0.68 0.70 -0.69 -0.69 0.00 0.00 174.62 173.28 1t6w s VAL 80 N 0.66 5.01 0.15 3.82 1.01 0.80 -3.08 120.40 128.77 1t6w s VAL 80 Ca 0.12 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.60 1t6w s VAL 80 Cb -0.21 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1t6w s VAL 80 CO -0.05 0.17 -0.23 -0.31 0.00 0.00 0.00 175.10 174.68 1t6w s TYR 81 N 1.40 2.38 0.69 5.22 2.02 0.27 0.43 117.35 129.76 1t6w s TYR 81 Ca 0.35 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.68 1t6w s TYR 81 Cb -0.17 -1.24 0.09 0.00 -0.40 0.00 0.00 41.96 40.24 1t6w s TYR 81 CO 0.14 0.41 0.96 -1.54 -1.57 0.00 0.00 175.55 173.96 1t6w s SER 82 N -2.32 4.63 0.53 2.29 1.04 -0.47 -0.89 113.70 118.50 1t6w s SER 82 Ca 0.18 -0.01 0.18 0.00 0.48 0.00 0.00 55.95 56.77 1t6w s SER 82 Cb -0.09 -0.55 1.33 0.00 0.10 0.00 0.00 66.02 66.80 1t6w s SER 82 CO 0.09 -1.66 2.16 0.71 0.98 0.00 0.00 173.24 175.51 1t6w h THR 83 N -0.47 0.95 0.00 2.02 1.35 -1.80 0.52 112.91 115.48 1t6w h THR 83 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1t6w h THR 83 Cb 1.29 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1t6w h THR 83 CO 0.48 0.00 0.00 -3.20 -0.25 0.00 0.00 175.52 172.55 1t6w n ASN 84 N -4.47 0.00 0.00 5.36 5.15 -1.26 -4.88 115.26 115.17 1t6w n ASN 84 Ca -0.03 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.63 1t6w n ASN 84 Cb 0.09 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1t6w n GLY 85 N 0.93 0.43 3.90 8.20 0.00 0.18 -5.06 105.19 113.77 1t6w n GLY 85 Ca 0.15 -0.91 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.00 3.71 -0.35 2.61 2.01 -1.26 -4.86 115.64 115.50 1t6w s THR 86 Ca 0.00 -1.25 -0.27 0.00 0.31 0.00 0.00 61.69 60.48 1t6w s THR 86 Cb 0.00 -3.26 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1t6w s THR 86 CO 0.00 -0.17 0.99 -0.13 -0.69 0.00 0.00 174.62 174.62 1t6w s ARG 87 N -4.05 3.95 -0.03 4.92 3.00 -1.26 -1.37 118.95 124.10 1t6w s ARG 87 Ca 0.42 0.80 -0.02 0.00 0.00 0.00 0.00 55.73 56.93 1t6w s ARG 87 Cb -0.07 -3.77 -0.01 0.00 0.00 0.00 0.00 34.95 31.10 1t6w s ARG 87 CO 0.28 -0.92 -0.04 -0.89 0.00 0.00 0.00 175.30 173.73 1t6w n ILE 88 N 5.92 0.33 -4.03 1.52 5.41 0.17 -4.93 119.36 123.75 1t6w n ILE 88 Ca 0.09 0.43 -0.18 0.00 1.00 0.00 0.00 62.75 64.09 1t6w n ILE 88 Cb 0.48 -1.70 -0.16 0.00 -0.71 0.00 0.00 39.64 37.54 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 -5.39 1.26 -0.27 1.39 0.20 -1.04 -4.99 118.68 109.85 1t6w s LEU 89 Ca -0.04 -0.07 0.03 0.00 0.69 0.00 0.00 54.13 54.74 1t6w s LEU 89 Cb 0.01 -0.31 0.07 0.00 -0.43 0.00 0.00 46.19 45.52 1t6w s LEU 89 CO 0.06 -0.08 -0.08 0.21 -0.29 0.00 0.00 176.35 176.17 1t6w s ASN 90 N 0.93 4.42 0.18 3.68 3.04 -1.26 -0.14 114.94 125.79 1t6w s ASN 90 Ca -0.11 -1.47 0.11 0.00 0.04 0.00 0.00 52.86 51.43 1t6w s ASN 90 Cb -0.14 -1.51 -0.04 0.00 -1.54 0.00 0.00 41.25 38.02 1t6w s ASN 90 CO -0.01 -0.22 -0.24 -0.54 -3.04 0.00 0.00 177.10 173.06 1t6w s LYS 91 N 1.11 1.54 -0.04 0.43 -0.14 -0.40 -4.97 119.74 117.27 1t6w s LYS 91 Ca -0.06 -1.48 -0.01 0.00 -1.36 0.00 0.00 55.97 53.06 1t6w s LYS 91 Cb -0.20 -1.88 0.03 0.00 -1.68 0.00 0.00 37.83 34.11 1t6w s LYS 91 CO -0.06 0.41 0.04 0.00 -0.76 0.00 0.00 175.35 174.98 1t6w s ALA 92 N -1.57 0.32 0.34 5.17 0.00 -1.26 -0.46 121.76 124.29 1t6w s ALA 92 Ca 0.20 0.13 0.09 0.00 0.00 0.00 0.00 51.96 52.39 1t6w s ALA 92 Cb -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 1t6w s ALA 92 CO 0.10 -0.42 -0.09 -0.51 0.00 0.00 0.00 175.76 174.84 1t6w s LEU 93 N 1.94 2.70 -0.27 0.00 1.02 -0.19 -4.45 118.68 119.44 1t6w s LEU 93 Ca 0.03 -1.19 0.02 0.00 0.02 0.00 0.00 54.13 53.00 1t6w s LEU 93 Cb -0.12 -0.96 0.07 0.00 0.02 0.00 0.00 46.19 45.20 1t6w s LEU 93 CO -0.03 -0.21 -0.03 -1.81 0.02 0.00 0.00 176.35 174.28 1t6w s ASP 94 N -3.59 4.14 -0.35 2.29 1.11 -1.17 -0.28 116.67 118.83 1t6w s ASP 94 Ca 0.32 -1.44 -0.12 0.00 0.18 0.00 0.00 52.55 51.49 1t6w s ASP 94 Cb 0.02 -1.30 -0.00 0.00 1.07 0.00 0.00 42.92 42.72 1t6w s ASP 94 CO 0.16 -0.27 0.22 -0.22 1.18 0.00 0.00 175.17 176.24 1t6w s LEU 95 N 1.27 4.53 -0.39 1.23 0.20 0.97 0.54 118.68 127.02 1t6w s LEU 95 Ca -0.02 -0.60 -0.17 0.00 0.69 0.00 0.00 54.13 54.03 1t6w s LEU 95 Cb -0.19 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.49 1t6w s LEU 95 CO -0.08 -0.28 0.41 -0.13 -0.29 0.00 0.00 176.35 175.99 1t6w s ARG 96 N 1.66 3.27 -0.44 1.98 1.81 -0.69 -1.26 118.95 125.29 1t6w s ARG 96 Ca 0.05 -0.63 -0.18 0.00 -1.72 0.00 0.00 55.73 53.25 1t6w s ARG 96 Cb -0.18 -3.91 0.03 0.00 -0.45 0.00 0.00 34.95 30.44 1t6w s ARG 96 CO 0.09 -0.74 0.51 0.42 -0.68 0.00 0.00 175.30 174.90 1t6w s ILE 97 N 2.10 5.00 0.04 1.52 1.01 -1.26 -0.65 121.20 128.96 1t6w s ILE 97 Ca 0.12 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1t6w s ILE 97 Cb -0.17 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 1t6w s ILE 97 CO 0.13 -0.53 1.52 -0.76 0.00 0.00 0.00 174.94 175.30 1t6w s LEU 98 N 2.35 4.34 0.00 2.97 1.43 0.14 -4.66 118.68 125.25 1t6w s LEU 98 Ca 0.15 2.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1t6w s LEU 98 Cb -0.17 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.56 1t6w s LEU 98 CO 0.14 -0.80 0.57 -0.62 0.23 0.00 0.00 176.35 175.87