#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w s ASP 2 N 0.00 4.42 0.22 0.55 1.01 -1.26 -4.92 116.67 116.69 1t6w s ASP 2 Ca 0.00 -0.50 -0.03 0.00 0.71 0.00 0.00 52.55 52.73 1t6w s ASP 2 Cb 0.00 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1t6w s ASP 2 CO 0.00 -3.47 0.45 -0.94 0.21 0.00 0.00 175.17 171.42 1t6w s SER 3 N 9.13 6.43 0.26 0.27 1.04 -1.26 -4.00 113.70 125.57 1t6w s SER 3 Ca 0.80 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1t6w s SER 3 Cb -0.09 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1t6w s SER 3 CO 0.06 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1t6w n GLY 4 N -0.60 -0.08 3.48 7.32 0.00 -1.26 -4.86 105.19 109.19 1t6w n GLY 4 Ca -0.03 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.59 1t6w n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 5 N 0.00 2.03 -3.97 2.61 -1.04 -1.26 -3.96 114.28 108.70 1t6w n THR 5 Ca 0.00 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.05 61.42 1t6w n THR 5 Cb 0.00 -0.68 -0.10 0.00 -1.82 0.00 0.00 70.33 67.73 1t6w n THR 5 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1t6w s VAL 6 N -1.52 0.13 -0.08 12.58 0.11 0.22 -4.90 120.40 126.95 1t6w s VAL 6 Ca 0.65 -1.11 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 1t6w s VAL 6 Cb -0.55 -0.75 -0.00 0.00 -1.53 0.00 0.00 36.38 33.56 1t6w s VAL 6 CO 0.57 -0.61 -0.22 0.26 -3.33 0.00 0.00 175.10 171.76 1t6w s TRP 7 N -2.33 2.36 0.36 1.54 0.52 -1.25 -0.96 118.94 119.17 1t6w s TRP 7 Ca -0.08 -0.89 -0.03 0.00 0.02 0.00 0.00 56.10 55.12 1t6w s TRP 7 Cb -0.03 -1.58 0.01 0.00 -1.15 0.00 0.00 33.47 30.72 1t6w s TRP 7 CO -0.04 -0.35 0.52 0.41 0.02 0.00 0.00 176.95 177.52 1t6w n GLY 8 N 3.42 1.99 3.12 0.98 0.00 -0.03 -4.99 105.19 109.68 1t6w n GLY 8 Ca -0.19 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.72 1.47 0.17 4.61 0.00 -1.26 -0.94 121.76 123.08 1t6w s ALA 9 Ca 0.28 -0.66 -0.34 0.00 0.00 0.00 0.00 51.96 51.24 1t6w s ALA 9 Cb -0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 23.12 22.48 1t6w s ALA 9 CO 0.20 0.27 1.57 -0.11 0.00 0.00 0.00 175.76 177.69 1t6w n LEU 10 N 3.16 3.13 0.00 0.00 7.94 -0.53 -1.02 117.00 129.67 1t6w n LEU 10 Ca -0.18 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 1t6w n LEU 10 Cb 0.53 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1t6w n LEU 10 CO 0.25 -0.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.86 1t6w n GLY 11 N 3.34 0.99 3.88 -3.96 0.00 0.32 -4.80 105.19 104.97 1t6w n GLY 11 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.49 2.75 0.81 1.61 5.65 -0.19 -4.46 115.29 118.96 1t6w s HIS 12 Ca 0.00 -0.45 -0.12 0.00 0.25 0.00 0.00 55.06 54.74 1t6w s HIS 12 Cb 0.00 -2.13 0.07 0.00 -1.18 0.00 0.00 32.58 29.35 1t6w s HIS 12 CO 0.00 -0.09 1.12 0.20 -0.65 0.00 0.00 174.74 175.32 1t6w s GLY 13 N -4.12 1.61 -0.30 1.59 0.00 -1.26 -1.36 107.32 103.48 1t6w s GLY 13 Ca 0.47 -0.37 -0.24 0.00 0.00 0.00 0.00 44.72 44.59 1t6w s GLY 13 CO 0.28 0.08 1.38 -1.50 0.00 0.00 0.00 173.10 173.34 1t6w s ILE 14 N -3.29 0.00 -0.17 0.90 1.10 -1.22 -4.81 121.20 113.71 1t6w s ILE 14 Ca 0.61 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.76 1t6w s ILE 14 Cb -0.13 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.50 1t6w s ILE 14 CO 0.53 0.00 -0.19 -0.62 -2.11 0.00 0.00 174.94 172.54 1t6w s ASP 15 N 0.22 3.07 -0.58 4.50 2.15 -1.26 -1.36 116.67 123.41 1t6w s ASP 15 Ca 0.04 -0.62 -0.28 0.00 0.43 0.00 0.00 52.55 52.12 1t6w s ASP 15 Cb -0.05 -1.44 0.02 0.00 -0.30 0.00 0.00 42.92 41.16 1t6w s ASP 15 CO -0.14 0.00 1.35 -0.76 -0.17 0.00 0.00 175.17 175.45 1t6w s LEU 16 N 1.27 3.40 -0.17 -1.34 1.02 -0.78 -4.96 118.68 117.12 1t6w s LEU 16 Ca 0.04 0.20 -0.21 0.00 0.02 0.00 0.00 54.13 54.18 1t6w s LEU 16 Cb -0.13 -3.06 -0.03 0.00 0.02 0.00 0.00 46.19 42.99 1t6w s LEU 16 CO -0.12 -1.66 0.63 -1.81 0.02 0.00 0.00 176.35 173.42 1t6w s ASP 17 N 4.02 6.73 -0.24 2.29 1.01 -1.26 -3.65 116.67 125.58 1t6w s ASP 17 Ca 0.49 0.89 -0.27 0.00 0.71 0.00 0.00 52.55 54.36 1t6w s ASP 17 Cb -0.10 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1t6w s ASP 17 CO 0.25 -0.23 0.96 -0.63 0.21 0.00 0.00 175.17 175.73 1t6w s ILE 18 N 1.67 4.73 0.23 0.77 1.01 -1.26 -4.48 121.20 123.88 1t6w s ILE 18 Ca 0.30 1.86 -0.31 0.00 0.00 0.00 0.00 60.65 62.50 1t6w s ILE 18 Cb -0.16 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 1t6w s ILE 18 CO 0.11 -0.14 1.66 -2.84 0.00 0.00 0.00 174.94 173.72 1t6w s PRO 19 N 3.08 4.14 -0.98 2.79 0.02 -1.26 -3.61 135.00 139.17 1t6w s PRO 19 Ca 0.41 2.56 -0.14 0.00 0.02 0.00 0.00 61.00 63.85 1t6w s PRO 19 Cb -0.15 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.31 1t6w s PRO 19 CO 0.07 -0.69 0.67 0.09 -0.33 0.00 0.00 177.00 176.80 1t6w n ASN 20 N 3.35 -4.98 -3.90 2.53 5.03 -1.26 -5.00 115.26 111.04 1t6w n ASN 20 Ca 0.13 -1.00 -0.11 0.00 0.87 0.00 0.00 54.58 54.47 1t6w n ASN 20 Cb 0.36 -2.25 -0.10 0.00 -1.02 0.00 0.00 39.78 36.77 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 -3.22 0.10 -0.09 3.10 5.36 -1.24 -5.07 117.98 116.92 1t6w s PHE 21 Ca 0.22 -0.23 -0.03 0.00 -0.96 0.00 0.00 56.93 55.94 1t6w s PHE 21 Cb -0.11 -0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.53 1t6w s PHE 21 CO 0.90 -0.25 0.10 -0.65 -1.46 0.00 0.00 175.22 173.86 1t6w s GLN 22 N -1.33 -0.01 -1.30 10.12 -0.21 -1.26 -5.01 119.66 120.66 1t6w s GLN 22 Ca -0.14 0.31 -0.18 0.00 0.02 0.00 0.00 55.36 55.36 1t6w s GLN 22 Cb -0.08 -0.80 0.07 0.00 1.00 0.00 0.00 33.01 33.20 1t6w s GLN 22 CO 0.01 -0.42 1.75 -0.12 -2.12 0.00 0.00 175.29 174.38 1t6w n MET 23 N 5.30 3.17 -2.74 2.91 0.00 -1.26 -4.71 117.12 119.79 1t6w n MET 23 Ca -0.04 -3.26 -0.12 0.00 -0.00 0.00 0.00 57.70 54.28 1t6w n MET 23 Cb 0.50 -3.50 -0.01 0.00 0.00 0.00 0.00 33.22 30.20 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 6.41 0.00 0.03 1.12 -2.24 -1.26 -4.85 114.28 113.49 1t6w n THR 24 Ca 0.49 -0.89 0.17 0.00 -2.27 0.00 0.00 64.05 61.55 1t6w n THR 24 Cb 0.46 -0.05 0.66 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.37 0.05 0.14 3.42 5.19 -2.04 0.12 116.42 123.67 1t6w h ASP 25 Ca -0.15 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 1t6w h ASP 25 Cb 0.49 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1t6w h ASP 25 CO 0.24 0.03 -0.11 0.44 -3.12 0.00 0.00 179.24 176.72 1t6w h ASP 26 N 0.05 0.00 -3.36 6.45 5.19 -1.94 -3.41 116.42 119.40 1t6w h ASP 26 Ca 0.22 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 56.06 1t6w h ASP 26 Cb 0.81 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.26 1t6w h ASP 26 CO -0.01 0.11 0.19 -0.63 -3.12 0.00 0.00 179.24 175.78 1t6w s ILE 27 N -4.68 4.99 -0.10 0.35 -1.09 0.41 -2.66 121.20 118.42 1t6w s ILE 27 Ca -0.04 1.49 -0.01 0.00 -2.23 0.00 0.00 60.65 59.86 1t6w s ILE 27 Cb 0.16 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.91 1t6w s ILE 27 CO 0.66 0.16 -0.10 -0.67 -1.23 0.00 0.00 174.94 173.77 1t6w n ASP 28 N 4.40 2.56 -3.94 3.58 2.03 -0.06 -4.78 116.55 120.35 1t6w n ASP 28 Ca 0.01 -0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 1t6w n ASP 28 Cb 0.50 -0.19 -0.17 0.00 -0.72 0.00 0.00 41.12 40.55 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 -2.19 1.74 -0.20 -0.67 2.12 -1.04 -2.10 118.70 116.37 1t6w s GLU 29 Ca -0.13 -0.45 0.01 0.00 0.36 0.00 0.00 54.97 54.75 1t6w s GLU 29 Cb 0.04 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.55 1t6w s GLU 29 CO 0.20 -0.32 -0.16 0.08 -0.54 0.00 0.00 175.26 174.52 1t6w s VAL 30 N 1.60 2.27 -0.07 3.70 1.01 -0.60 -0.01 120.40 128.30 1t6w s VAL 30 Ca 0.03 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.08 1t6w s VAL 30 Cb -0.14 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1t6w s VAL 30 CO -0.09 0.44 -0.20 0.00 0.00 0.00 0.00 175.10 175.25 1t6w s ARG 31 N 1.29 2.66 -0.70 2.72 1.70 -1.16 0.15 118.95 125.61 1t6w s ARG 31 Ca 0.03 -0.81 -0.03 0.00 -0.47 0.00 0.00 55.73 54.44 1t6w s ARG 31 Cb -0.14 -2.29 0.18 0.00 -0.57 0.00 0.00 34.95 32.12 1t6w s ARG 31 CO -0.10 0.42 0.54 -1.58 -1.08 0.00 0.00 175.30 173.50 1t6w s TRP 32 N -0.24 3.52 -0.06 5.89 0.52 -0.06 -2.07 118.94 126.43 1t6w s TRP 32 Ca -0.00 -2.73 -0.07 0.00 0.02 0.00 0.00 56.10 53.32 1t6w s TRP 32 Cb -0.13 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.89 1t6w s TRP 32 CO 0.03 -0.83 0.20 -1.21 0.02 0.00 0.00 176.95 175.17 1t6w s GLU 33 N -0.33 3.52 -0.15 4.98 2.02 -0.30 -1.52 118.70 126.93 1t6w s GLU 33 Ca 0.19 -0.08 -0.01 0.00 0.02 0.00 0.00 54.97 55.09 1t6w s GLU 33 Cb -0.17 -3.16 0.04 0.00 0.10 0.00 0.00 34.13 30.95 1t6w s GLU 33 CO -0.06 0.73 -0.02 0.50 0.02 0.00 0.00 175.26 176.44 1t6w s ARG 34 N -1.31 1.02 6.21 1.61 3.52 -0.51 -0.94 118.95 128.56 1t6w s ARG 34 Ca 0.20 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 1t6w s ARG 34 Cb -0.13 -1.79 0.00 0.00 -1.56 0.00 0.00 34.95 31.47 1t6w s ARG 34 CO 0.10 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.54 1t6w n GLY 35 N 4.99 2.50 2.25 8.12 0.00 -1.26 -1.42 105.19 120.37 1t6w n GLY 35 Ca -0.10 0.33 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 10.13 5.06 -3.59 1.61 2.88 -1.26 -5.03 113.62 123.43 1t6w n SER 36 Ca 0.00 -3.74 -0.11 0.00 -1.33 0.00 0.00 58.87 53.69 1t6w n SER 36 Cb 0.00 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.98 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 -5.00 0.05 0.04 2.46 2.01 -0.50 -5.17 115.64 109.54 1t6w s THR 37 Ca 0.51 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 1t6w s THR 37 Cb 0.41 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1t6w s THR 37 CO -0.07 -0.25 0.23 -0.76 -0.69 0.00 0.00 174.62 173.08 1t6w s LEU 38 N -2.73 4.35 -0.01 4.42 1.43 -1.26 -1.42 118.68 123.47 1t6w s LEU 38 Ca 0.02 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1t6w s LEU 38 Cb 0.01 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.36 1t6w s LEU 38 CO -0.11 0.19 -0.01 0.52 0.23 0.00 0.00 176.35 177.17 1t6w n VAL 39 N 0.56 0.05 -3.22 -1.59 0.31 -0.57 -4.65 118.33 109.22 1t6w n VAL 39 Ca -0.07 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.28 1t6w n VAL 39 Cb 0.52 -0.75 -0.03 0.00 -0.91 0.00 0.00 33.84 32.67 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 -2.02 -3.23 0.18 3.52 0.00 -1.20 -1.33 121.76 117.68 1t6w s ALA 40 Ca -0.01 1.65 0.09 0.00 0.00 0.00 0.00 51.96 53.69 1t6w s ALA 40 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1t6w s ALA 40 CO 0.02 -1.25 -0.18 -1.83 0.00 0.00 0.00 175.76 172.52 1t6w s GLU 41 N 2.67 1.33 0.03 0.00 -1.05 -1.03 -0.88 118.70 119.76 1t6w s GLU 41 Ca -0.01 -1.48 0.05 0.00 -0.15 0.00 0.00 54.97 53.38 1t6w s GLU 41 Cb -0.08 -1.34 -0.02 0.00 -0.44 0.00 0.00 34.13 32.25 1t6w s GLU 41 CO -0.13 0.26 -0.15 0.12 0.95 0.00 0.00 175.26 176.31 1t6w s PHE 42 N -2.26 1.28 -0.20 4.83 2.19 0.40 -2.01 117.98 122.20 1t6w s PHE 42 Ca 0.18 -0.33 -0.04 0.00 0.33 0.00 0.00 56.93 57.08 1t6w s PHE 42 Cb -0.05 -0.77 0.10 0.00 -1.31 0.00 0.00 43.02 40.99 1t6w s PHE 42 CO 0.07 0.03 0.34 0.21 1.83 0.00 0.00 175.22 177.70 1t6w s LYS 43 N -0.95 0.28 0.11 10.12 2.36 -1.26 -1.56 119.74 128.83 1t6w s LYS 43 Ca 0.03 0.64 -0.34 0.00 -2.55 0.00 0.00 55.97 53.75 1t6w s LYS 43 Cb -0.07 -0.32 -0.14 0.00 -1.05 0.00 0.00 37.83 36.25 1t6w s LYS 43 CO 0.01 -0.48 1.56 -0.09 1.55 0.00 0.00 175.35 177.90 1t6w h ARG 44 N 8.22 -0.73 -1.96 4.03 2.43 -1.80 -1.85 114.38 122.72 1t6w h ARG 44 Ca -0.17 0.05 -0.22 0.00 -0.81 0.00 0.00 59.98 58.83 1t6w h ARG 44 Cb 1.14 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.77 1t6w h ARG 44 CO 0.21 -0.49 -0.09 1.63 -1.51 0.00 0.00 179.97 179.72 1t6w n LYS 45 N -5.49 1.83 -3.10 0.20 4.76 -1.26 -4.82 118.16 110.28 1t6w n LYS 45 Ca -0.08 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.29 1t6w n LYS 45 Cb 0.41 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1t6w n MET 46 N 1.80 -1.54 -4.38 1.97 2.81 -0.69 -5.16 117.12 111.92 1t6w n MET 46 Ca 0.33 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.89 1t6w n MET 46 Cb 0.73 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 33.15 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 -0.60 2.83 0.59 0.03 1.02 -1.26 -4.60 119.74 117.76 1t6w s LYS 47 Ca 0.00 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 1t6w s LYS 47 Cb 0.00 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1t6w s LYS 47 CO 0.00 0.66 1.06 -1.25 -0.92 0.00 0.00 175.35 174.90 1t6w s PRO 48 N -1.20 3.30 -0.38 -1.68 0.04 -1.26 -4.64 135.00 129.18 1t6w s PRO 48 Ca 0.16 1.22 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1t6w s PRO 48 Cb -0.11 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.49 1t6w s PRO 48 CO 0.06 -0.82 0.16 0.12 0.04 0.00 0.00 177.00 176.56 1t6w s PHE 49 N -2.44 3.48 -0.38 0.56 5.36 -0.85 -4.96 117.98 118.76 1t6w s PHE 49 Ca 0.64 -2.17 -0.19 0.00 -0.96 0.00 0.00 56.93 54.25 1t6w s PHE 49 Cb -0.16 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.61 1t6w s PHE 49 CO 0.37 -0.91 0.54 -0.51 -1.46 0.00 0.00 175.22 173.24 1t6w s LEU 50 N 1.20 4.43 0.26 6.12 1.43 -1.26 -2.48 118.68 128.39 1t6w s LEU 50 Ca 0.04 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1t6w s LEU 50 Cb -0.22 -2.60 0.54 0.00 0.03 0.00 0.00 46.19 43.94 1t6w s LEU 50 CO -0.03 -0.56 1.67 0.50 0.23 0.00 0.00 176.35 178.17 1t6w h LYS 51 N 8.57 0.24 -1.47 1.70 3.64 -1.47 -3.45 116.57 124.33 1t6w h LYS 51 Ca -0.27 -0.01 0.29 0.00 -1.27 0.00 0.00 60.65 59.38 1t6w h LYS 51 Cb 1.12 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.73 1t6w h LYS 51 CO 0.80 0.16 0.82 -1.54 -2.27 0.00 0.00 179.45 177.42 1t6w s SER 52 N -5.20 -0.10 0.16 4.20 1.04 -1.26 -5.00 113.70 107.55 1t6w s SER 52 Ca -0.13 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.31 1t6w s SER 52 Cb 0.23 0.16 0.44 0.00 0.10 0.00 0.00 66.02 66.95 1t6w s SER 52 CO 0.76 -0.28 1.15 0.61 0.98 0.00 0.00 173.24 176.47 1t6w n GLY 53 N -0.30 -0.54 0.00 7.32 0.00 -1.26 -1.31 105.19 109.10 1t6w n GLY 53 Ca -0.04 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.51 2.21 -2.39 4.61 0.00 -1.26 -4.75 120.51 117.42 1t6w n ALA 54 Ca -0.01 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1t6w n ALA 54 Cb 0.17 -1.33 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.15 1.24 -0.19 0.00 0.08 -0.43 -1.19 117.98 115.34 1t6w s PHE 55 Ca 0.28 -0.67 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 1t6w s PHE 55 Cb 0.14 -0.65 0.09 0.00 -0.57 0.00 0.00 43.02 42.03 1t6w s PHE 55 CO 0.26 0.08 0.39 -1.21 -0.10 0.00 0.00 175.22 174.64 1t6w s GLU 56 N -3.14 0.30 -0.57 0.44 8.01 -0.19 -4.89 118.70 118.66 1t6w s GLU 56 Ca 0.11 0.95 -0.28 0.00 0.01 0.00 0.00 54.97 55.77 1t6w s GLU 56 Cb -0.01 0.21 0.00 0.00 -4.31 0.00 0.00 34.13 30.03 1t6w s GLU 56 CO 0.01 -0.29 1.53 -1.50 0.01 0.00 0.00 175.26 175.03 1t6w s ILE 57 N 2.58 3.66 1.11 -1.63 2.07 -1.26 -0.62 121.20 127.11 1t6w s ILE 57 Ca -0.00 0.53 -0.18 0.00 -1.41 0.00 0.00 60.65 59.59 1t6w s ILE 57 Cb -0.12 -4.31 0.14 0.00 0.13 0.00 0.00 42.46 38.30 1t6w s ILE 57 CO -0.12 -1.11 0.12 0.18 -1.91 0.00 0.00 174.94 172.10 1t6w n LEU 58 N 10.32 -1.95 0.23 8.50 4.32 -0.36 -4.80 117.00 133.26 1t6w n LEU 58 Ca 0.14 -0.25 0.08 0.00 -0.02 0.00 0.00 56.01 55.96 1t6w n LEU 58 Cb 0.50 -0.89 0.55 0.00 -1.62 0.00 0.00 43.42 41.95 1t6w n LEU 58 CO 0.71 -3.21 0.86 0.00 -1.22 0.00 0.00 177.39 174.54 1t6w h ALA 59 N -2.35 1.32 -0.81 -1.18 0.00 -1.94 -2.57 119.26 111.73 1t6w h ALA 59 Ca -0.44 -0.20 -0.45 0.00 0.00 0.00 0.00 54.91 53.81 1t6w h ALA 59 Cb 1.19 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 1t6w h ALA 59 CO 0.31 0.28 0.57 0.27 0.00 0.00 0.00 179.25 180.68 1t6w n ASN 60 N -3.81 4.48 -2.09 0.00 6.94 -1.26 -4.85 115.26 114.67 1t6w n ASN 60 Ca -0.02 -3.35 -0.19 0.00 -0.02 0.00 0.00 54.58 51.00 1t6w n ASN 60 Cb 0.32 -0.83 -0.04 0.00 -2.36 0.00 0.00 39.78 36.87 1t6w n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1t6w n GLY 61 N -0.74 0.35 3.97 4.83 0.00 -0.97 -4.31 105.19 108.32 1t6w n GLY 61 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.25 4.63 -0.25 1.61 2.15 -1.25 -4.83 116.67 116.47 1t6w s ASP 62 Ca 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 52.55 52.93 1t6w s ASP 62 Cb 0.00 -0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 42.05 1t6w s ASP 62 CO 0.00 -1.66 0.01 -0.22 -0.17 0.00 0.00 175.17 173.13 1t6w s LEU 63 N -5.13 3.28 -0.37 -1.34 2.96 -1.24 -1.22 118.68 115.62 1t6w s LEU 63 Ca 0.63 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1t6w s LEU 63 Cb -0.08 -1.81 0.04 0.00 0.50 0.00 0.00 46.19 44.84 1t6w s LEU 63 CO 0.43 -0.07 0.19 -0.75 -1.32 0.00 0.00 176.35 174.83 1t6w s LYS 64 N 1.50 2.70 0.03 1.98 2.20 0.21 -1.87 119.74 126.48 1t6w s LYS 64 Ca 0.05 -1.21 -0.22 0.00 -0.36 0.00 0.00 55.97 54.23 1t6w s LYS 64 Cb -0.15 -3.66 -0.06 0.00 -1.51 0.00 0.00 37.83 32.45 1t6w s LYS 64 CO -0.00 -0.76 0.64 0.42 -0.36 0.00 0.00 175.35 175.29 1t6w s ILE 65 N 1.47 4.81 -0.10 5.43 1.01 -0.47 -1.02 121.20 132.33 1t6w s ILE 65 Ca 0.01 1.36 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 1t6w s ILE 65 Cb -0.20 -3.98 -0.28 0.00 0.01 0.00 0.00 42.46 38.01 1t6w s ILE 65 CO 0.04 0.43 0.70 0.50 0.00 0.00 0.00 174.94 176.61 1t6w h LYS 66 N 5.43 0.17 -2.56 2.79 3.64 -1.47 -3.23 116.57 121.34 1t6w h LYS 66 Ca -0.46 -0.30 -0.29 0.00 -1.27 0.00 0.00 60.65 58.34 1t6w h LYS 66 Cb 1.20 0.11 -0.35 0.00 -0.41 0.00 0.00 32.23 32.78 1t6w h LYS 66 CO 0.69 1.14 -0.60 -0.80 -2.27 0.00 0.00 179.45 177.61 1t6w s ASN 67 N -6.78 1.11 0.64 4.20 -0.87 -1.26 -4.13 114.94 107.85 1t6w s ASN 67 Ca -0.18 -0.04 -0.17 0.00 -1.57 0.00 0.00 52.86 50.89 1t6w s ASN 67 Cb 0.01 0.47 -0.04 0.00 -0.02 0.00 0.00 41.25 41.67 1t6w s ASN 67 CO 0.75 -0.31 0.82 0.18 -2.57 0.00 0.00 177.10 175.98 1t6w n LEU 68 N 5.33 2.78 -3.69 0.60 4.77 -0.46 -4.53 117.00 121.79 1t6w n LEU 68 Ca -0.05 0.73 -0.10 0.00 -0.03 0.00 0.00 56.01 56.56 1t6w n LEU 68 Cb 0.50 -1.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 1t6w n LEU 68 CO 0.07 -2.29 0.20 0.42 -1.33 0.00 0.00 177.39 174.46 1t6w s THR 69 N -1.66 0.05 0.13 -5.08 -4.23 -1.26 -0.52 115.64 103.06 1t6w s THR 69 Ca 0.73 -0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 60.26 1t6w s THR 69 Cb -0.40 -1.39 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1t6w s THR 69 CO 0.50 -0.22 1.59 0.03 -0.54 0.00 0.00 174.62 175.99 1t6w h ARG 70 N 2.29 -0.46 -0.03 3.99 -0.00 -1.95 0.20 114.38 118.43 1t6w h ARG 70 Ca -0.32 0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.20 1t6w h ARG 70 Cb 1.26 0.10 -0.00 0.00 0.00 0.00 0.00 29.97 31.33 1t6w h ARG 70 CO 0.42 -0.30 0.15 0.22 0.00 0.00 0.00 179.97 180.47 1t6w h ASP 71 N -0.47 0.00 0.96 7.04 3.58 -2.01 0.25 116.42 125.76 1t6w h ASP 71 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1t6w h ASP 71 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1t6w h ASP 71 CO -0.37 0.00 -0.53 -0.67 -2.88 0.00 0.00 179.24 174.80 1t6w n ASP 72 N -3.12 0.72 -4.72 2.28 -0.08 0.63 -4.82 116.55 107.44 1t6w n ASP 72 Ca -0.02 0.19 -0.38 0.00 -1.51 0.00 0.00 54.79 53.07 1t6w n ASP 72 Cb 0.22 0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.63 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1t6w s SER 73 N -4.28 6.73 0.00 1.67 0.15 0.86 -4.89 113.70 113.93 1t6w s SER 73 Ca 0.07 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.59 1t6w s SER 73 Cb 0.13 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1t6w s SER 73 CO 0.70 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.72 1t6w n GLY 74 N 3.28 -0.20 3.14 9.45 0.00 -0.07 -4.97 105.19 115.81 1t6w n GLY 74 Ca -0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.26 1.73 0.08 2.61 2.01 -1.26 0.33 115.64 120.87 1t6w s THR 75 Ca 0.00 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1t6w s THR 75 Cb 0.00 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1t6w s THR 75 CO 0.00 0.49 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.10 1t6w s TYR 76 N 0.58 2.98 -0.08 4.92 1.51 -0.03 -4.40 117.35 122.83 1t6w s TYR 76 Ca -0.15 -0.02 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 1t6w s TYR 76 Cb -0.17 -1.55 0.02 0.00 -0.11 0.00 0.00 41.96 40.16 1t6w s TYR 76 CO 0.05 0.47 -0.07 -0.80 -1.11 0.00 0.00 175.55 174.08 1t6w s ASN 77 N -2.17 1.66 -0.14 2.29 0.01 -0.11 -1.00 114.94 115.48 1t6w s ASN 77 Ca 0.24 -0.23 -0.02 0.00 -0.71 0.00 0.00 52.86 52.14 1t6w s ASN 77 Cb -0.12 -0.69 -0.03 0.00 0.41 0.00 0.00 41.25 40.83 1t6w s ASN 77 CO 0.17 -0.06 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.95 1t6w s VAL 78 N 1.21 3.75 -0.41 1.60 1.01 0.45 -1.14 120.40 126.87 1t6w s VAL 78 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1t6w s VAL 78 Cb -0.14 -2.62 0.11 0.00 0.00 0.00 0.00 36.38 33.74 1t6w s VAL 78 CO -0.02 0.52 0.13 -0.89 0.00 0.00 0.00 175.10 174.83 1t6w s THR 79 N 0.17 2.40 -0.09 3.92 2.01 -0.88 -1.25 115.64 121.92 1t6w s THR 79 Ca -0.03 -2.71 -0.24 0.00 0.31 0.00 0.00 61.69 59.03 1t6w s THR 79 Cb -0.14 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1t6w s THR 79 CO 0.03 -0.67 0.75 -0.69 -0.69 0.00 0.00 174.62 173.35 1t6w s VAL 80 N 0.46 4.99 0.15 3.82 1.01 0.15 -3.00 120.40 127.98 1t6w s VAL 80 Ca 0.13 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.73 1t6w s VAL 80 Cb -0.22 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1t6w s VAL 80 CO -0.05 0.18 -0.20 -0.31 0.00 0.00 0.00 175.10 174.72 1t6w s TYR 81 N 1.20 2.45 0.72 5.22 1.51 0.98 0.45 117.35 129.88 1t6w s TYR 81 Ca 0.38 -0.30 -0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1t6w s TYR 81 Cb -0.18 -1.27 0.10 0.00 -0.11 0.00 0.00 41.96 40.50 1t6w s TYR 81 CO 0.17 0.42 1.01 -1.54 -1.11 0.00 0.00 175.55 174.50 1t6w s SER 82 N -2.34 4.47 0.56 2.29 1.04 -0.24 -0.88 113.70 118.60 1t6w s SER 82 Ca 0.19 0.01 0.38 0.00 0.48 0.00 0.00 55.95 57.00 1t6w s SER 82 Cb -0.10 -0.51 1.98 0.00 0.10 0.00 0.00 66.02 67.49 1t6w s SER 82 CO 0.10 -1.78 2.15 0.71 0.98 0.00 0.00 173.24 175.40 1t6w h THR 83 N -0.59 0.00 -0.51 2.02 1.35 -1.81 -1.19 112.91 112.18 1t6w h THR 83 Ca -0.41 -0.08 -0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1t6w h THR 83 Cb 1.28 0.95 -0.08 0.00 -1.73 0.00 0.00 68.15 68.58 1t6w h THR 83 CO 0.48 0.00 0.16 -3.20 -0.25 0.00 0.00 175.52 172.71 1t6w n ASN 84 N -2.87 4.08 -1.71 5.36 2.85 -1.26 -4.87 115.26 116.83 1t6w n ASN 84 Ca -0.02 -2.82 -0.20 0.00 -0.11 0.00 0.00 54.58 51.43 1t6w n ASN 84 Cb 0.10 -0.67 -0.07 0.00 1.24 0.00 0.00 39.78 40.38 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1t6w n GLY 85 N 0.06 1.46 4.02 8.20 0.00 -0.45 -4.96 105.19 113.52 1t6w n GLY 85 Ca 0.27 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.71 2.31 -0.33 2.61 2.01 -1.25 -4.86 115.64 113.42 1t6w s THR 86 Ca 0.00 -0.87 -0.14 0.00 0.31 0.00 0.00 61.69 60.99 1t6w s THR 86 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1t6w s THR 86 CO 0.00 0.00 0.31 -0.60 -0.69 0.00 0.00 174.62 173.64 1t6w s ARG 87 N -4.75 3.65 -0.19 4.92 3.52 -1.26 -1.08 118.95 123.76 1t6w s ARG 87 Ca 0.62 -0.41 -0.17 0.00 -0.13 0.00 0.00 55.73 55.64 1t6w s ARG 87 Cb -0.07 -3.77 -0.21 0.00 -1.56 0.00 0.00 34.95 29.35 1t6w s ARG 87 CO 0.39 -0.43 0.23 -0.89 -0.81 0.00 0.00 175.30 173.80 1t6w n ILE 88 N 5.17 1.61 -3.67 4.11 2.08 0.17 -4.87 119.36 123.96 1t6w n ILE 88 Ca -0.11 -0.23 -0.15 0.00 0.56 0.00 0.00 62.75 62.82 1t6w n ILE 88 Cb 0.50 -1.94 -0.08 0.00 -0.75 0.00 0.00 39.64 37.37 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1t6w s LEU 89 N -7.60 0.25 -0.20 1.39 0.20 -0.86 -5.00 118.68 106.86 1t6w s LEU 89 Ca -0.27 0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.95 1t6w s LEU 89 Cb 0.06 1.75 0.07 0.00 -0.43 0.00 0.00 46.19 47.64 1t6w s LEU 89 CO 0.64 -0.46 0.07 0.21 -0.29 0.00 0.00 176.35 176.52 1t6w s ASN 90 N -1.03 2.83 0.22 3.68 3.04 -1.26 0.30 114.94 122.72 1t6w s ASN 90 Ca -0.11 -0.84 0.11 0.00 0.04 0.00 0.00 52.86 52.07 1t6w s ASN 90 Cb -0.03 -0.47 -0.05 0.00 -1.54 0.00 0.00 41.25 39.17 1t6w s ASN 90 CO 0.06 -0.34 -0.21 -0.54 -3.04 0.00 0.00 177.10 173.02 1t6w s LYS 91 N 1.96 1.52 -0.05 0.43 -0.14 -0.38 -4.97 119.74 118.12 1t6w s LYS 91 Ca 0.02 -1.59 -0.01 0.00 -1.36 0.00 0.00 55.97 53.02 1t6w s LYS 91 Cb -0.17 -1.70 0.03 0.00 -1.68 0.00 0.00 37.83 34.31 1t6w s LYS 91 CO -0.12 0.34 0.03 0.00 -0.76 0.00 0.00 175.35 174.85 1t6w s ALA 92 N -2.08 0.37 0.26 5.17 0.00 -1.26 -0.41 121.76 123.81 1t6w s ALA 92 Ca 0.23 0.10 0.11 0.00 0.00 0.00 0.00 51.96 52.41 1t6w s ALA 92 Cb -0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1t6w s ALA 92 CO 0.11 -0.39 -0.16 -0.51 0.00 0.00 0.00 175.76 174.81 1t6w s LEU 93 N 1.86 2.72 -0.34 0.00 1.02 -0.17 -4.83 118.68 118.94 1t6w s LEU 93 Ca 0.02 -0.90 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1t6w s LEU 93 Cb -0.12 -1.27 0.06 0.00 0.02 0.00 0.00 46.19 44.87 1t6w s LEU 93 CO -0.03 0.05 0.09 -1.81 0.02 0.00 0.00 176.35 174.66 1t6w s ASP 94 N -3.40 5.17 -0.64 2.29 1.01 -1.25 -0.85 116.67 119.00 1t6w s ASP 94 Ca 0.29 -1.36 -0.19 0.00 0.71 0.00 0.00 52.55 52.00 1t6w s ASP 94 Cb -0.06 -1.81 0.11 0.00 1.01 0.00 0.00 42.92 42.17 1t6w s ASP 94 CO 0.15 -0.35 0.76 -0.22 0.21 0.00 0.00 175.17 175.72 1t6w s LEU 95 N 1.31 5.40 -0.22 1.23 0.20 0.15 -0.61 118.68 126.15 1t6w s LEU 95 Ca -0.01 -1.55 -0.12 0.00 0.69 0.00 0.00 54.13 53.13 1t6w s LEU 95 Cb -0.20 -2.31 -0.05 0.00 -0.43 0.00 0.00 46.19 43.20 1t6w s LEU 95 CO 0.00 -1.09 0.24 -0.13 -0.29 0.00 0.00 176.35 175.08 1t6w s ARG 96 N 2.59 4.13 -0.03 1.98 1.81 -0.13 -0.89 118.95 128.40 1t6w s ARG 96 Ca 0.14 -0.10 0.02 0.00 -1.72 0.00 0.00 55.73 54.07 1t6w s ARG 96 Cb -0.21 -3.52 0.01 0.00 -0.45 0.00 0.00 34.95 30.78 1t6w s ARG 96 CO 0.04 0.07 -0.06 0.42 -0.68 0.00 0.00 175.30 175.10 1t6w s ILE 97 N 1.01 0.55 0.70 1.52 1.09 -1.26 -0.85 121.20 123.96 1t6w s ILE 97 Ca 0.12 -0.20 -0.07 0.00 -1.10 0.00 0.00 60.65 59.40 1t6w s ILE 97 Cb -0.14 -0.54 0.05 0.00 -1.06 0.00 0.00 42.46 40.78 1t6w s ILE 97 CO 0.05 0.20 1.03 -0.76 -0.10 0.00 0.00 174.94 175.36 1t6w s LEU 98 N 0.50 2.83 0.00 2.97 1.43 -0.12 -4.81 118.68 121.48 1t6w s LEU 98 Ca -0.07 0.57 0.27 0.00 -1.03 0.00 0.00 54.13 53.87 1t6w s LEU 98 Cb -0.10 -3.23 0.82 0.00 0.03 0.00 0.00 46.19 43.71 1t6w s LEU 98 CO 0.00 -1.56 1.62 -0.62 0.23 0.00 0.00 176.35 176.02